USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 THR OG1 : rot 68:sc= 0.999 USER MOD Set 1.2: A 91 ASN : amide:sc= -1.24 K(o=-0.24,f=-1.3) USER MOD Set 2.1: A 29 ASN : amide:sc= -0.014 K(o=-0.013,f=-0.96!) USER MOD Set 2.2: A 32 LYS NZ :NH3+ -152:sc= -1.24 (180deg=-2.49!) USER MOD Set 2.3: A 33 THR OG1 : rot 90:sc= 1.24 USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= -1.47! USER MOD Set 3.2: A 23 HIS : no HD1:sc= -0.0587 X(o=-1.5,f=-1.5) USER MOD Single : A 1 MET CE :methyl -106:sc= -2.07 (180deg=-2.42) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -82:sc= 0.146 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 110:sc= -1.44 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -0.0587 (180deg=-0.37) USER MOD Single : A 14 HIS : no HE2:sc= 0.995 K(o=1,f=-4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.2) USER MOD Single : A 28 THR OG1 : rot 78:sc= 0.0459 USER MOD Single : A 30 THR OG1 : rot 75:sc= 1.31 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.615 USER MOD Single : A 43 SER OG : rot 36:sc= 0.0752 USER MOD Single : A 45 GLN : amide:sc= -6.42! C(o=-6.4!,f=-1.5!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00491 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -165:sc= -0.0726 (180deg=-0.474) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0339) USER MOD Single : A 66 THR OG1 : rot 171:sc= -0.652 USER MOD Single : A 68 SER OG : rot 73:sc= 1.13 USER MOD Single : A 76 SER OG : rot 75:sc= 0.256 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HE2:sc= 0.556 K(o=0.56,f=-6.4!) USER MOD Single : A 105 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=-0.045) USER MOD Single : A 106 HIS : no HD1:sc= -0.0079 X(o=-0.0079,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.541 2.982 5.020 1.00 0.00 N ATOM 2 CA MET A 1 -14.516 3.060 3.955 1.00 0.00 C ATOM 3 C MET A 1 -13.540 1.902 4.069 1.00 0.00 C ATOM 4 O MET A 1 -12.903 1.716 5.106 1.00 0.00 O ATOM 5 CB MET A 1 -13.740 4.374 4.031 1.00 0.00 C ATOM 6 CG MET A 1 -12.749 4.546 2.890 1.00 0.00 C ATOM 7 SD MET A 1 -13.563 4.773 1.299 1.00 0.00 S ATOM 8 CE MET A 1 -14.559 6.226 1.624 1.00 0.00 C ATOM 0 H1 MET A 1 -16.200 3.781 4.927 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.066 2.089 4.932 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.078 3.021 5.951 1.00 0.00 H new ATOM 0 HA MET A 1 -15.035 3.009 2.998 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.444 5.206 4.022 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.205 4.419 4.980 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.110 5.406 3.094 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.100 3.671 2.841 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.605 5.935 1.723 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.224 6.698 2.548 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.455 6.930 0.799 1.00 0.00 H new ATOM 20 N THR A 2 -13.412 1.134 3.003 1.00 0.00 N ATOM 21 CA THR A 2 -12.487 0.016 2.985 1.00 0.00 C ATOM 22 C THR A 2 -11.168 0.442 2.353 1.00 0.00 C ATOM 23 O THR A 2 -11.069 1.535 1.788 1.00 0.00 O ATOM 24 CB THR A 2 -13.068 -1.188 2.218 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.407 -0.801 0.885 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.306 -1.728 2.915 1.00 0.00 C ATOM 0 H THR A 2 -13.937 1.264 2.138 1.00 0.00 H new ATOM 0 HA THR A 2 -12.317 -0.292 4.017 1.00 0.00 H new ATOM 0 HB THR A 2 -12.310 -1.971 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.287 -0.370 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.698 -2.577 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.045 -2.048 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.064 -0.947 2.967 1.00 0.00 H new ATOM 34 N PHE A 3 -10.162 -0.411 2.450 1.00 0.00 N ATOM 35 CA PHE A 3 -8.858 -0.106 1.882 1.00 0.00 C ATOM 36 C PHE A 3 -8.950 -0.050 0.362 1.00 0.00 C ATOM 37 O PHE A 3 -8.316 0.787 -0.278 1.00 0.00 O ATOM 38 CB PHE A 3 -7.825 -1.148 2.320 1.00 0.00 C ATOM 39 CG PHE A 3 -6.423 -0.842 1.865 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.678 0.145 2.492 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.850 -1.538 0.811 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.389 0.430 2.077 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.562 -1.258 0.394 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.832 -0.272 1.027 1.00 0.00 C ATOM 0 H PHE A 3 -10.222 -1.317 2.915 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.536 0.869 2.249 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.836 -1.222 3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.119 -2.123 1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.109 0.698 3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.417 -2.308 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.819 1.201 2.574 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.127 -1.810 -0.426 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.827 -0.050 0.701 1.00 0.00 H new ATOM 54 N SER A 4 -9.768 -0.928 -0.202 1.00 0.00 N ATOM 55 CA SER A 4 -9.970 -0.980 -1.643 1.00 0.00 C ATOM 56 C SER A 4 -10.606 0.325 -2.137 1.00 0.00 C ATOM 57 O SER A 4 -10.185 0.893 -3.146 1.00 0.00 O ATOM 58 CB SER A 4 -10.855 -2.182 -2.001 1.00 0.00 C ATOM 59 OG SER A 4 -10.852 -2.435 -3.395 1.00 0.00 O ATOM 0 H SER A 4 -10.306 -1.619 0.321 1.00 0.00 H new ATOM 0 HA SER A 4 -9.004 -1.097 -2.135 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.502 -3.066 -1.469 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.876 -1.996 -1.667 1.00 0.00 H new ATOM 0 HG SER A 4 -11.424 -3.207 -3.589 1.00 0.00 H new ATOM 65 N GLU A 5 -11.604 0.808 -1.401 1.00 0.00 N ATOM 66 CA GLU A 5 -12.275 2.054 -1.742 1.00 0.00 C ATOM 67 C GLU A 5 -11.320 3.237 -1.636 1.00 0.00 C ATOM 68 O GLU A 5 -11.208 4.047 -2.555 1.00 0.00 O ATOM 69 CB GLU A 5 -13.449 2.289 -0.799 1.00 0.00 C ATOM 70 CG GLU A 5 -14.609 1.331 -0.974 1.00 0.00 C ATOM 71 CD GLU A 5 -15.654 1.505 0.113 1.00 0.00 C ATOM 72 OE1 GLU A 5 -16.487 2.429 0.007 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.638 0.720 1.086 1.00 0.00 O ATOM 0 H GLU A 5 -11.965 0.352 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.628 1.971 -2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.091 2.219 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.813 3.307 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.069 1.492 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.239 0.306 -0.961 1.00 0.00 H new ATOM 80 N CYS A 6 -10.623 3.317 -0.512 1.00 0.00 N ATOM 81 CA CYS A 6 -9.755 4.450 -0.226 1.00 0.00 C ATOM 82 C CYS A 6 -8.592 4.504 -1.204 1.00 0.00 C ATOM 83 O CYS A 6 -8.190 5.581 -1.650 1.00 0.00 O ATOM 84 CB CYS A 6 -9.229 4.352 1.198 1.00 0.00 C ATOM 85 SG CYS A 6 -8.578 5.904 1.856 1.00 0.00 S ATOM 0 H CYS A 6 -10.642 2.607 0.220 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.338 5.365 -0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.033 4.004 1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.443 3.598 1.232 1.00 0.00 H new ATOM 0 HG CYS A 6 -9.376 6.353 2.778 1.00 0.00 H new ATOM 91 N ALA A 7 -8.052 3.339 -1.521 1.00 0.00 N ATOM 92 CA ALA A 7 -6.990 3.234 -2.515 1.00 0.00 C ATOM 93 C ALA A 7 -7.450 3.806 -3.851 1.00 0.00 C ATOM 94 O ALA A 7 -6.732 4.581 -4.485 1.00 0.00 O ATOM 95 CB ALA A 7 -6.554 1.788 -2.682 1.00 0.00 C ATOM 0 H ALA A 7 -8.330 2.450 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.136 3.814 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.761 1.731 -3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.185 1.407 -1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.403 1.187 -3.008 1.00 0.00 H new ATOM 101 N ALA A 8 -8.663 3.440 -4.255 1.00 0.00 N ATOM 102 CA ALA A 8 -9.242 3.928 -5.499 1.00 0.00 C ATOM 103 C ALA A 8 -9.449 5.441 -5.450 1.00 0.00 C ATOM 104 O ALA A 8 -9.320 6.124 -6.465 1.00 0.00 O ATOM 105 CB ALA A 8 -10.556 3.215 -5.782 1.00 0.00 C ATOM 0 H ALA A 8 -9.266 2.803 -3.734 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.546 3.712 -6.309 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.979 3.588 -6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.377 2.143 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.254 3.402 -4.966 1.00 0.00 H new ATOM 111 N LEU A 9 -9.757 5.960 -4.267 1.00 0.00 N ATOM 112 CA LEU A 9 -9.937 7.397 -4.090 1.00 0.00 C ATOM 113 C LEU A 9 -8.610 8.125 -4.274 1.00 0.00 C ATOM 114 O LEU A 9 -8.558 9.184 -4.899 1.00 0.00 O ATOM 115 CB LEU A 9 -10.522 7.712 -2.713 1.00 0.00 C ATOM 116 CG LEU A 9 -11.903 7.117 -2.435 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.358 7.474 -1.030 1.00 0.00 C ATOM 118 CD2 LEU A 9 -12.916 7.604 -3.462 1.00 0.00 C ATOM 0 H LEU A 9 -9.887 5.410 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.640 7.744 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.830 7.352 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.582 8.795 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.832 6.032 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.343 7.044 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.647 7.077 -0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.411 8.558 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.892 7.169 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.986 8.691 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.597 7.302 -4.459 1.00 0.00 H new ATOM 130 N TYR A 10 -7.538 7.548 -3.734 1.00 0.00 N ATOM 131 CA TYR A 10 -6.197 8.084 -3.936 1.00 0.00 C ATOM 132 C TYR A 10 -5.896 8.167 -5.424 1.00 0.00 C ATOM 133 O TYR A 10 -5.399 9.179 -5.923 1.00 0.00 O ATOM 134 CB TYR A 10 -5.153 7.195 -3.249 1.00 0.00 C ATOM 135 CG TYR A 10 -3.719 7.546 -3.607 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.044 8.572 -2.958 1.00 0.00 C ATOM 137 CD2 TYR A 10 -3.046 6.860 -4.612 1.00 0.00 C ATOM 138 CE1 TYR A 10 -1.743 8.902 -3.299 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.748 7.188 -4.960 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.101 8.208 -4.301 1.00 0.00 C ATOM 141 OH TYR A 10 0.188 8.544 -4.655 1.00 0.00 O ATOM 0 H TYR A 10 -7.574 6.710 -3.154 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.151 9.081 -3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.278 7.272 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.341 6.156 -3.518 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.543 9.122 -2.174 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.546 6.056 -5.131 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.233 9.701 -2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.244 6.645 -5.746 1.00 0.00 H new ATOM 0 HH TYR A 10 0.493 7.956 -5.377 1.00 0.00 H new ATOM 151 N ILE A 11 -6.204 7.081 -6.113 1.00 0.00 N ATOM 152 CA ILE A 11 -6.012 6.982 -7.549 1.00 0.00 C ATOM 153 C ILE A 11 -6.814 8.054 -8.286 1.00 0.00 C ATOM 154 O ILE A 11 -6.273 8.764 -9.128 1.00 0.00 O ATOM 155 CB ILE A 11 -6.409 5.577 -8.041 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.497 4.530 -7.390 1.00 0.00 C ATOM 157 CG2 ILE A 11 -6.347 5.493 -9.561 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.945 3.104 -7.617 1.00 0.00 C ATOM 0 H ILE A 11 -6.596 6.240 -5.690 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.956 7.146 -7.765 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.440 5.376 -7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.486 4.650 -7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.450 4.720 -6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.632 4.491 -9.882 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.033 6.221 -9.994 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.332 5.706 -9.896 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.250 2.422 -7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.943 2.966 -7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.965 2.895 -8.687 1.00 0.00 H new ATOM 170 N LYS A 12 -8.091 8.186 -7.941 1.00 0.00 N ATOM 171 CA LYS A 12 -8.957 9.192 -8.560 1.00 0.00 C ATOM 172 C LYS A 12 -8.438 10.606 -8.320 1.00 0.00 C ATOM 173 O LYS A 12 -8.447 11.439 -9.225 1.00 0.00 O ATOM 174 CB LYS A 12 -10.385 9.064 -8.033 1.00 0.00 C ATOM 175 CG LYS A 12 -11.140 7.880 -8.615 1.00 0.00 C ATOM 176 CD LYS A 12 -12.522 7.748 -8.007 1.00 0.00 C ATOM 177 CE LYS A 12 -13.373 6.751 -8.773 1.00 0.00 C ATOM 178 NZ LYS A 12 -13.682 7.235 -10.144 1.00 0.00 N ATOM 0 H LYS A 12 -8.552 7.610 -7.236 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.953 9.010 -9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.357 8.969 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.931 9.980 -8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.227 7.998 -9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.575 6.965 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.435 7.431 -6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.014 8.721 -8.003 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.851 5.796 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.302 6.573 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.511 6.727 -10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.885 8.255 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.866 7.062 -10.765 1.00 0.00 H new ATOM 192 N ALA A 13 -7.954 10.863 -7.112 1.00 0.00 N ATOM 193 CA ALA A 13 -7.439 12.181 -6.755 1.00 0.00 C ATOM 194 C ALA A 13 -6.117 12.482 -7.460 1.00 0.00 C ATOM 195 O ALA A 13 -5.577 13.580 -7.342 1.00 0.00 O ATOM 196 CB ALA A 13 -7.268 12.281 -5.250 1.00 0.00 C ATOM 0 H ALA A 13 -7.907 10.175 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.164 12.924 -7.086 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.883 13.268 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.231 12.129 -4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.566 11.518 -4.912 1.00 0.00 H new ATOM 202 N HIS A 14 -5.595 11.504 -8.188 1.00 0.00 N ATOM 203 CA HIS A 14 -4.345 11.678 -8.915 1.00 0.00 C ATOM 204 C HIS A 14 -4.504 11.265 -10.372 1.00 0.00 C ATOM 205 O HIS A 14 -3.524 11.185 -11.109 1.00 0.00 O ATOM 206 CB HIS A 14 -3.221 10.870 -8.255 1.00 0.00 C ATOM 207 CG HIS A 14 -2.802 11.416 -6.929 1.00 0.00 C ATOM 208 ND1 HIS A 14 -3.401 11.058 -5.742 1.00 0.00 N ATOM 209 CD2 HIS A 14 -1.846 12.315 -6.609 1.00 0.00 C ATOM 210 CE1 HIS A 14 -2.832 11.719 -4.750 1.00 0.00 C ATOM 211 NE2 HIS A 14 -1.885 12.488 -5.250 1.00 0.00 N ATOM 0 H HIS A 14 -6.018 10.582 -8.291 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.080 12.735 -8.884 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.550 9.839 -8.128 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.358 10.849 -8.921 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.164 10.388 -5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.175 12.807 -7.297 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.098 11.642 -3.706 1.00 0.00 H new ATOM 220 N ARG A 15 -5.748 11.026 -10.787 1.00 0.00 N ATOM 221 CA ARG A 15 -6.041 10.621 -12.157 1.00 0.00 C ATOM 222 C ARG A 15 -5.572 11.670 -13.153 1.00 0.00 C ATOM 223 O ARG A 15 -5.047 11.335 -14.208 1.00 0.00 O ATOM 224 CB ARG A 15 -7.540 10.375 -12.323 1.00 0.00 C ATOM 225 CG ARG A 15 -7.984 9.019 -11.819 1.00 0.00 C ATOM 226 CD ARG A 15 -7.635 7.917 -12.805 1.00 0.00 C ATOM 227 NE ARG A 15 -8.445 7.997 -14.023 1.00 0.00 N ATOM 228 CZ ARG A 15 -8.075 7.500 -15.201 1.00 0.00 C ATOM 229 NH1 ARG A 15 -6.865 6.980 -15.357 1.00 0.00 N ATOM 230 NH2 ARG A 15 -8.911 7.539 -16.231 1.00 0.00 N ATOM 0 H ARG A 15 -6.570 11.107 -10.189 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.500 9.696 -12.359 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.090 11.151 -11.790 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.802 10.466 -13.377 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.510 8.813 -10.859 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.060 9.028 -11.648 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.579 7.985 -13.066 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.785 6.946 -12.332 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.350 8.463 -13.965 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.214 6.960 -14.572 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.586 6.600 -16.262 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.838 7.950 -16.120 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.627 7.158 -17.133 1.00 0.00 H new ATOM 244 N SER A 16 -5.755 12.938 -12.804 1.00 0.00 N ATOM 245 CA SER A 16 -5.343 14.044 -13.652 1.00 0.00 C ATOM 246 C SER A 16 -3.842 14.001 -13.923 1.00 0.00 C ATOM 247 O SER A 16 -3.383 14.341 -15.014 1.00 0.00 O ATOM 248 CB SER A 16 -5.714 15.355 -12.967 1.00 0.00 C ATOM 249 OG SER A 16 -7.016 15.276 -12.406 1.00 0.00 O ATOM 0 H SER A 16 -6.192 13.225 -11.928 1.00 0.00 H new ATOM 0 HA SER A 16 -5.855 13.965 -14.611 1.00 0.00 H new ATOM 0 HB2 SER A 16 -4.989 15.581 -12.185 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.672 16.172 -13.687 1.00 0.00 H new ATOM 0 HG SER A 16 -7.236 16.125 -11.969 1.00 0.00 H new ATOM 255 N SER A 17 -3.089 13.560 -12.926 1.00 0.00 N ATOM 256 CA SER A 17 -1.646 13.486 -13.023 1.00 0.00 C ATOM 257 C SER A 17 -1.218 12.211 -13.746 1.00 0.00 C ATOM 258 O SER A 17 -0.080 12.094 -14.207 1.00 0.00 O ATOM 259 CB SER A 17 -1.057 13.512 -11.616 1.00 0.00 C ATOM 260 OG SER A 17 -1.640 14.551 -10.841 1.00 0.00 O ATOM 0 H SER A 17 -3.464 13.245 -12.031 1.00 0.00 H new ATOM 0 HA SER A 17 -1.279 14.338 -13.596 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.226 12.551 -11.129 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.022 13.656 -11.672 1.00 0.00 H new ATOM 0 HG SER A 17 -1.249 14.548 -9.942 1.00 0.00 H new ATOM 266 N TRP A 18 -2.144 11.269 -13.857 1.00 0.00 N ATOM 267 CA TRP A 18 -1.846 9.960 -14.417 1.00 0.00 C ATOM 268 C TRP A 18 -2.538 9.742 -15.758 1.00 0.00 C ATOM 269 O TRP A 18 -2.966 8.620 -16.056 1.00 0.00 O ATOM 270 CB TRP A 18 -2.275 8.853 -13.455 1.00 0.00 C ATOM 271 CG TRP A 18 -1.448 8.757 -12.210 1.00 0.00 C ATOM 272 CD1 TRP A 18 -0.217 9.304 -11.981 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.796 8.043 -11.025 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.214 8.978 -10.717 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.739 8.204 -10.111 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.906 7.289 -10.649 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.761 7.629 -8.843 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.927 6.717 -9.393 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.862 6.891 -8.502 1.00 0.00 C ATOM 0 H TRP A 18 -3.114 11.389 -13.564 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.768 9.923 -14.572 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -3.315 9.017 -13.173 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -2.233 7.898 -13.978 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.336 9.904 -12.689 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.099 9.266 -10.299 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.735 7.155 -11.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.060 7.761 -8.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.779 6.125 -9.093 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.910 6.433 -7.525 1.00 0.00 H new ATOM 290 N LYS A 19 -2.648 10.797 -16.568 1.00 0.00 N ATOM 291 CA LYS A 19 -3.132 10.653 -17.924 1.00 0.00 C ATOM 292 C LYS A 19 -4.654 10.485 -17.916 1.00 0.00 C ATOM 293 O LYS A 19 -5.256 10.930 -16.944 1.00 0.00 O ATOM 294 CB LYS A 19 -2.301 9.632 -18.658 1.00 0.00 C ATOM 295 CG LYS A 19 -0.830 10.009 -18.735 1.00 0.00 C ATOM 296 CD LYS A 19 -0.570 11.074 -19.784 1.00 0.00 C ATOM 297 CE LYS A 19 0.907 11.418 -19.859 1.00 0.00 C ATOM 298 NZ LYS A 19 1.216 12.266 -21.036 1.00 0.00 N ATOM 0 H LYS A 19 -2.407 11.752 -16.302 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.990 11.554 -18.521 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.398 8.667 -18.160 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.693 9.511 -19.668 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.497 10.370 -17.762 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.240 9.122 -18.965 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.915 10.723 -20.757 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.144 11.970 -19.547 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.206 11.937 -18.948 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.492 10.500 -19.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.234 12.480 -21.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.954 11.761 -21.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.677 13.153 -20.976 1.00 0.00 H new ATOM 312 N ASN A 20 -5.362 9.902 -18.895 1.00 0.00 N ATOM 313 CA ASN A 20 -5.380 8.488 -19.378 1.00 0.00 C ATOM 314 C ASN A 20 -4.094 7.769 -19.744 1.00 0.00 C ATOM 315 O ASN A 20 -3.540 7.914 -20.838 1.00 0.00 O ATOM 316 CB ASN A 20 -6.340 8.390 -20.567 1.00 0.00 C ATOM 317 CG ASN A 20 -7.797 8.539 -20.159 1.00 0.00 C ATOM 318 OD1 ASN A 20 -8.311 9.652 -20.042 1.00 0.00 O ATOM 319 ND2 ASN A 20 -8.480 7.421 -19.972 1.00 0.00 N ATOM 0 H ASN A 20 -6.016 10.465 -19.439 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.682 7.957 -18.475 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.090 9.162 -21.295 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.202 7.429 -21.062 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.468 7.463 -19.722 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.018 6.518 -20.078 1.00 0.00 H new ATOM 326 N THR A 21 -3.655 6.984 -18.774 1.00 0.00 N ATOM 327 CA THR A 21 -2.705 5.882 -18.975 1.00 0.00 C ATOM 328 C THR A 21 -3.054 4.739 -18.032 1.00 0.00 C ATOM 329 O THR A 21 -3.846 4.917 -17.101 1.00 0.00 O ATOM 330 CB THR A 21 -1.227 6.260 -18.741 1.00 0.00 C ATOM 331 OG1 THR A 21 -1.091 7.067 -17.565 1.00 0.00 O ATOM 332 CG2 THR A 21 -0.630 6.960 -19.953 1.00 0.00 C ATOM 0 H THR A 21 -3.950 7.090 -17.803 1.00 0.00 H new ATOM 0 HA THR A 21 -2.799 5.600 -20.024 1.00 0.00 H new ATOM 0 HB THR A 21 -0.669 5.336 -18.590 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.147 7.295 -17.432 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.411 7.211 -19.752 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.683 6.299 -20.818 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.190 7.872 -20.159 1.00 0.00 H new ATOM 340 N LYS A 22 -2.444 3.581 -18.241 1.00 0.00 N ATOM 341 CA LYS A 22 -2.769 2.401 -17.451 1.00 0.00 C ATOM 342 C LYS A 22 -1.971 2.346 -16.152 1.00 0.00 C ATOM 343 O LYS A 22 -1.991 1.337 -15.450 1.00 0.00 O ATOM 344 CB LYS A 22 -2.540 1.121 -18.251 1.00 0.00 C ATOM 345 CG LYS A 22 -3.513 0.941 -19.407 1.00 0.00 C ATOM 346 CD LYS A 22 -3.811 -0.531 -19.665 1.00 0.00 C ATOM 347 CE LYS A 22 -4.530 -1.151 -18.477 1.00 0.00 C ATOM 348 NZ LYS A 22 -4.893 -2.574 -18.704 1.00 0.00 N ATOM 0 H LYS A 22 -1.724 3.433 -18.948 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.826 2.477 -17.198 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.522 1.124 -18.641 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.622 0.265 -17.582 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.442 1.468 -19.187 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.096 1.392 -20.308 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.425 -0.631 -20.560 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.881 -1.068 -19.854 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.894 -1.079 -17.595 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.434 -0.579 -18.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.380 -2.946 -17.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.523 -2.644 -19.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.031 -3.129 -18.878 1.00 0.00 H new ATOM 362 N HIS A 23 -1.286 3.430 -15.826 1.00 0.00 N ATOM 363 CA HIS A 23 -0.573 3.517 -14.553 1.00 0.00 C ATOM 364 C HIS A 23 -1.562 3.440 -13.395 1.00 0.00 C ATOM 365 O HIS A 23 -1.325 2.747 -12.409 1.00 0.00 O ATOM 366 CB HIS A 23 0.255 4.803 -14.462 1.00 0.00 C ATOM 367 CG HIS A 23 1.507 4.776 -15.287 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.736 4.409 -14.779 1.00 0.00 N ATOM 369 CD2 HIS A 23 1.718 5.074 -16.593 1.00 0.00 C ATOM 370 CE1 HIS A 23 3.644 4.481 -15.732 1.00 0.00 C ATOM 371 NE2 HIS A 23 3.054 4.878 -16.841 1.00 0.00 N ATOM 0 H HIS A 23 -1.206 4.258 -16.417 1.00 0.00 H new ATOM 0 HA HIS A 23 0.116 2.674 -14.493 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.361 5.644 -14.781 1.00 0.00 H new ATOM 0 HB3 HIS A 23 0.521 4.980 -13.420 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.975 5.403 -17.304 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.694 4.253 -15.622 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.516 5.017 -17.740 1.00 0.00 H new ATOM 380 N ALA A 24 -2.685 4.138 -13.540 1.00 0.00 N ATOM 381 CA ALA A 24 -3.755 4.088 -12.549 1.00 0.00 C ATOM 382 C ALA A 24 -4.305 2.668 -12.437 1.00 0.00 C ATOM 383 O ALA A 24 -4.639 2.198 -11.349 1.00 0.00 O ATOM 384 CB ALA A 24 -4.865 5.059 -12.925 1.00 0.00 C ATOM 0 H ALA A 24 -2.878 4.746 -14.336 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.350 4.381 -11.580 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.658 5.013 -12.178 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.464 6.072 -12.966 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.270 4.789 -13.900 1.00 0.00 H new ATOM 390 N ASP A 25 -4.380 1.986 -13.576 1.00 0.00 N ATOM 391 CA ASP A 25 -4.831 0.598 -13.618 1.00 0.00 C ATOM 392 C ASP A 25 -3.862 -0.295 -12.871 1.00 0.00 C ATOM 393 O ASP A 25 -4.268 -1.139 -12.080 1.00 0.00 O ATOM 394 CB ASP A 25 -4.956 0.115 -15.063 1.00 0.00 C ATOM 395 CG ASP A 25 -5.298 -1.363 -15.167 1.00 0.00 C ATOM 396 OD1 ASP A 25 -6.480 -1.722 -14.973 1.00 0.00 O ATOM 397 OD2 ASP A 25 -4.388 -2.166 -15.457 1.00 0.00 O ATOM 0 H ASP A 25 -4.133 2.374 -14.486 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.809 0.547 -13.140 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.726 0.697 -15.570 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.018 0.303 -15.586 1.00 0.00 H new ATOM 402 N GLN A 26 -2.580 -0.093 -13.127 1.00 0.00 N ATOM 403 CA GLN A 26 -1.532 -0.852 -12.472 1.00 0.00 C ATOM 404 C GLN A 26 -1.598 -0.701 -10.956 1.00 0.00 C ATOM 405 O GLN A 26 -1.438 -1.680 -10.227 1.00 0.00 O ATOM 406 CB GLN A 26 -0.174 -0.409 -12.998 1.00 0.00 C ATOM 407 CG GLN A 26 0.097 -0.865 -14.421 1.00 0.00 C ATOM 408 CD GLN A 26 0.122 -2.374 -14.549 1.00 0.00 C ATOM 409 OE1 GLN A 26 1.165 -3.003 -14.381 1.00 0.00 O ATOM 410 NE2 GLN A 26 -1.024 -2.968 -14.849 1.00 0.00 N ATOM 0 H GLN A 26 -2.239 0.600 -13.793 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.678 -1.908 -12.700 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.112 0.678 -12.954 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.606 -0.799 -12.344 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.669 -0.460 -15.082 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.052 -0.459 -14.754 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.868 -2.411 -14.981 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.062 -3.982 -14.948 1.00 0.00 H new ATOM 419 N TRP A 27 -1.838 0.516 -10.480 1.00 0.00 N ATOM 420 CA TRP A 27 -2.015 0.745 -9.048 1.00 0.00 C ATOM 421 C TRP A 27 -3.203 -0.057 -8.524 1.00 0.00 C ATOM 422 O TRP A 27 -3.077 -0.809 -7.556 1.00 0.00 O ATOM 423 CB TRP A 27 -2.225 2.233 -8.751 1.00 0.00 C ATOM 424 CG TRP A 27 -0.956 3.041 -8.725 1.00 0.00 C ATOM 425 CD1 TRP A 27 -0.162 3.363 -9.787 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.345 3.641 -7.574 1.00 0.00 C ATOM 427 NE1 TRP A 27 0.904 4.122 -9.370 1.00 0.00 N ATOM 428 CE2 TRP A 27 0.815 4.307 -8.016 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.666 3.680 -6.215 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.653 5.002 -7.144 1.00 0.00 C ATOM 431 CZ3 TRP A 27 0.165 4.368 -5.353 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.312 5.022 -5.820 1.00 0.00 C ATOM 0 H TRP A 27 -1.914 1.353 -11.058 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.108 0.415 -8.542 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.894 2.651 -9.503 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.726 2.333 -7.788 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.345 3.064 -10.808 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.642 4.488 -9.971 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.549 3.181 -5.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.539 5.506 -7.502 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.074 4.402 -4.300 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.940 5.553 -5.120 1.00 0.00 H new ATOM 443 N THR A 28 -4.340 0.091 -9.195 1.00 0.00 N ATOM 444 CA THR A 28 -5.570 -0.582 -8.799 1.00 0.00 C ATOM 445 C THR A 28 -5.402 -2.102 -8.844 1.00 0.00 C ATOM 446 O THR A 28 -5.723 -2.808 -7.885 1.00 0.00 O ATOM 447 CB THR A 28 -6.736 -0.186 -9.731 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.774 1.237 -9.906 1.00 0.00 O ATOM 449 CG2 THR A 28 -8.070 -0.668 -9.173 1.00 0.00 C ATOM 0 H THR A 28 -4.434 0.678 -10.024 1.00 0.00 H new ATOM 0 HA THR A 28 -5.795 -0.272 -7.779 1.00 0.00 H new ATOM 0 HB THR A 28 -6.569 -0.664 -10.696 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.077 1.507 -10.540 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.874 -0.376 -9.849 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.053 -1.754 -9.077 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.238 -0.220 -8.194 1.00 0.00 H new ATOM 457 N ASN A 29 -4.866 -2.588 -9.958 1.00 0.00 N ATOM 458 CA ASN A 29 -4.762 -4.018 -10.219 1.00 0.00 C ATOM 459 C ASN A 29 -3.857 -4.694 -9.199 1.00 0.00 C ATOM 460 O ASN A 29 -4.211 -5.727 -8.629 1.00 0.00 O ATOM 461 CB ASN A 29 -4.224 -4.246 -11.635 1.00 0.00 C ATOM 462 CG ASN A 29 -4.567 -5.617 -12.187 1.00 0.00 C ATOM 463 OD1 ASN A 29 -4.715 -6.589 -11.443 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.695 -5.701 -13.503 1.00 0.00 N ATOM 0 H ASN A 29 -4.492 -2.002 -10.704 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.755 -4.459 -10.134 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.629 -3.482 -12.299 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.141 -4.123 -11.630 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.925 -6.595 -13.937 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.564 -4.872 -14.082 1.00 0.00 H new ATOM 471 N THR A 30 -2.699 -4.095 -8.952 1.00 0.00 N ATOM 472 CA THR A 30 -1.735 -4.658 -8.015 1.00 0.00 C ATOM 473 C THR A 30 -2.334 -4.758 -6.616 1.00 0.00 C ATOM 474 O THR A 30 -2.268 -5.807 -5.975 1.00 0.00 O ATOM 475 CB THR A 30 -0.447 -3.815 -7.953 1.00 0.00 C ATOM 476 OG1 THR A 30 0.064 -3.593 -9.273 1.00 0.00 O ATOM 477 CG2 THR A 30 0.619 -4.504 -7.116 1.00 0.00 C ATOM 0 H THR A 30 -2.405 -3.221 -9.387 1.00 0.00 H new ATOM 0 HA THR A 30 -1.484 -5.655 -8.377 1.00 0.00 H new ATOM 0 HB THR A 30 -0.697 -2.861 -7.489 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.491 -2.928 -9.731 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.517 -3.886 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.248 -4.648 -6.101 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.858 -5.472 -7.556 1.00 0.00 H new ATOM 485 N ILE A 31 -2.951 -3.672 -6.161 1.00 0.00 N ATOM 486 CA ILE A 31 -3.536 -3.635 -4.831 1.00 0.00 C ATOM 487 C ILE A 31 -4.698 -4.614 -4.724 1.00 0.00 C ATOM 488 O ILE A 31 -4.795 -5.364 -3.756 1.00 0.00 O ATOM 489 CB ILE A 31 -4.011 -2.213 -4.457 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.818 -1.252 -4.423 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.734 -2.224 -3.116 1.00 0.00 C ATOM 492 CD1 ILE A 31 -3.201 0.186 -4.146 1.00 0.00 C ATOM 0 H ILE A 31 -3.057 -2.809 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.757 -3.929 -4.128 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.713 -1.868 -5.216 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.116 -1.585 -3.658 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.296 -1.302 -5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.061 -1.213 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.601 -2.881 -3.176 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.058 -2.585 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.305 0.806 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.878 0.538 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.696 0.250 -3.177 1.00 0.00 H new ATOM 504 N LYS A 32 -5.558 -4.626 -5.738 1.00 0.00 N ATOM 505 CA LYS A 32 -6.714 -5.517 -5.760 1.00 0.00 C ATOM 506 C LYS A 32 -6.278 -6.978 -5.689 1.00 0.00 C ATOM 507 O LYS A 32 -6.954 -7.813 -5.090 1.00 0.00 O ATOM 508 CB LYS A 32 -7.531 -5.297 -7.036 1.00 0.00 C ATOM 509 CG LYS A 32 -8.883 -5.996 -7.023 1.00 0.00 C ATOM 510 CD LYS A 32 -9.573 -5.941 -8.381 1.00 0.00 C ATOM 511 CE LYS A 32 -9.110 -7.059 -9.312 1.00 0.00 C ATOM 512 NZ LYS A 32 -7.691 -6.907 -9.737 1.00 0.00 N ATOM 0 H LYS A 32 -5.476 -4.026 -6.559 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.328 -5.288 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.686 -4.227 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.956 -5.652 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.749 -7.037 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.523 -5.531 -6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.652 -6.011 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.374 -4.976 -8.848 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.233 -8.018 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.749 -7.078 -10.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.558 -7.350 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.453 -5.896 -9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.069 -7.369 -9.043 1.00 0.00 H new ATOM 526 N THR A 33 -5.148 -7.273 -6.309 1.00 0.00 N ATOM 527 CA THR A 33 -4.664 -8.641 -6.392 1.00 0.00 C ATOM 528 C THR A 33 -3.917 -9.059 -5.121 1.00 0.00 C ATOM 529 O THR A 33 -4.244 -10.074 -4.507 1.00 0.00 O ATOM 530 CB THR A 33 -3.745 -8.811 -7.621 1.00 0.00 C ATOM 531 OG1 THR A 33 -4.437 -8.387 -8.803 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.306 -10.261 -7.784 1.00 0.00 C ATOM 0 H THR A 33 -4.548 -6.584 -6.762 1.00 0.00 H new ATOM 0 HA THR A 33 -5.534 -9.289 -6.497 1.00 0.00 H new ATOM 0 HB THR A 33 -2.857 -8.197 -7.469 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.278 -7.431 -8.950 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.660 -10.350 -8.657 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.760 -10.578 -6.895 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.183 -10.894 -7.916 1.00 0.00 H new ATOM 540 N TYR A 34 -2.929 -8.267 -4.719 1.00 0.00 N ATOM 541 CA TYR A 34 -2.079 -8.619 -3.586 1.00 0.00 C ATOM 542 C TYR A 34 -2.752 -8.326 -2.245 1.00 0.00 C ATOM 543 O TYR A 34 -2.790 -9.180 -1.361 1.00 0.00 O ATOM 544 CB TYR A 34 -0.737 -7.887 -3.679 1.00 0.00 C ATOM 545 CG TYR A 34 0.167 -8.408 -4.776 1.00 0.00 C ATOM 546 CD1 TYR A 34 -0.042 -8.065 -6.108 1.00 0.00 C ATOM 547 CD2 TYR A 34 1.230 -9.251 -4.476 1.00 0.00 C ATOM 548 CE1 TYR A 34 0.784 -8.545 -7.106 1.00 0.00 C ATOM 549 CE2 TYR A 34 2.060 -9.737 -5.468 1.00 0.00 C ATOM 550 CZ TYR A 34 1.834 -9.381 -6.781 1.00 0.00 C ATOM 551 OH TYR A 34 2.655 -9.868 -7.772 1.00 0.00 O ATOM 0 H TYR A 34 -2.697 -7.377 -5.160 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.906 -9.694 -3.633 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.923 -6.826 -3.847 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.220 -7.972 -2.723 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.863 -7.413 -6.366 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.411 -9.531 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.609 -8.268 -8.135 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.881 -10.392 -5.217 1.00 0.00 H new ATOM 0 HH TYR A 34 3.344 -10.440 -7.374 1.00 0.00 H new ATOM 561 N CYS A 35 -3.290 -7.124 -2.100 1.00 0.00 N ATOM 562 CA CYS A 35 -3.848 -6.690 -0.825 1.00 0.00 C ATOM 563 C CYS A 35 -5.355 -6.927 -0.769 1.00 0.00 C ATOM 564 O CYS A 35 -5.949 -6.924 0.308 1.00 0.00 O ATOM 565 CB CYS A 35 -3.541 -5.207 -0.603 1.00 0.00 C ATOM 566 SG CYS A 35 -1.783 -4.797 -0.720 1.00 0.00 S ATOM 0 H CYS A 35 -3.353 -6.432 -2.847 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.386 -7.280 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.091 -4.618 -1.337 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.908 -4.913 0.380 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.620 -3.523 -0.521 1.00 0.00 H new ATOM 572 N GLY A 36 -5.950 -7.154 -1.935 1.00 0.00 N ATOM 573 CA GLY A 36 -7.395 -7.294 -2.050 1.00 0.00 C ATOM 574 C GLY A 36 -7.991 -8.356 -1.138 1.00 0.00 C ATOM 575 O GLY A 36 -8.763 -8.029 -0.241 1.00 0.00 O ATOM 0 H GLY A 36 -5.449 -7.245 -2.819 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.861 -6.335 -1.826 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.645 -7.536 -3.083 1.00 0.00 H new ATOM 579 N PRO A 37 -7.650 -9.641 -1.338 1.00 0.00 N ATOM 580 CA PRO A 37 -8.229 -10.749 -0.562 1.00 0.00 C ATOM 581 C PRO A 37 -7.886 -10.694 0.928 1.00 0.00 C ATOM 582 O PRO A 37 -8.421 -11.470 1.717 1.00 0.00 O ATOM 583 CB PRO A 37 -7.614 -12.004 -1.196 1.00 0.00 C ATOM 584 CG PRO A 37 -7.097 -11.560 -2.521 1.00 0.00 C ATOM 585 CD PRO A 37 -6.695 -10.126 -2.345 1.00 0.00 C ATOM 0 HA PRO A 37 -9.318 -10.718 -0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.813 -12.406 -0.576 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.357 -12.793 -1.308 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.248 -12.168 -2.833 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.861 -11.660 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.664 -10.034 -2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.772 -9.567 -3.278 1.00 0.00 H new ATOM 593 N VAL A 38 -7.001 -9.784 1.317 1.00 0.00 N ATOM 594 CA VAL A 38 -6.580 -9.693 2.709 1.00 0.00 C ATOM 595 C VAL A 38 -7.167 -8.456 3.391 1.00 0.00 C ATOM 596 O VAL A 38 -8.070 -8.563 4.220 1.00 0.00 O ATOM 597 CB VAL A 38 -5.043 -9.665 2.840 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.630 -9.723 4.308 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.411 -10.807 2.051 1.00 0.00 C ATOM 0 H VAL A 38 -6.564 -9.104 0.694 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.958 -10.587 3.205 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.680 -8.727 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.543 -9.702 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.046 -8.865 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.006 -10.643 4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.327 -10.767 2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.778 -11.760 2.432 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.675 -10.712 0.998 1.00 0.00 H new ATOM 609 N ILE A 39 -6.666 -7.282 3.025 1.00 0.00 N ATOM 610 CA ILE A 39 -7.060 -6.046 3.692 1.00 0.00 C ATOM 611 C ILE A 39 -7.968 -5.199 2.809 1.00 0.00 C ATOM 612 O ILE A 39 -8.410 -4.128 3.217 1.00 0.00 O ATOM 613 CB ILE A 39 -5.830 -5.206 4.102 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.954 -4.899 2.882 1.00 0.00 C ATOM 615 CG2 ILE A 39 -5.033 -5.933 5.172 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.774 -3.998 3.184 1.00 0.00 C ATOM 0 H ILE A 39 -5.988 -7.160 2.273 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.607 -6.339 4.588 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.176 -4.258 4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.585 -5.837 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.569 -4.430 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.168 -5.332 5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.662 -6.095 6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.696 -6.894 4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.203 -3.828 2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.134 -3.044 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.135 -4.473 3.928 1.00 0.00 H new ATOM 628 N GLY A 40 -8.243 -5.698 1.606 1.00 0.00 N ATOM 629 CA GLY A 40 -9.088 -4.987 0.658 1.00 0.00 C ATOM 630 C GLY A 40 -10.430 -4.570 1.242 1.00 0.00 C ATOM 631 O GLY A 40 -10.721 -3.373 1.329 1.00 0.00 O ATOM 0 H GLY A 40 -7.891 -6.593 1.267 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.561 -4.100 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.259 -5.621 -0.212 1.00 0.00 H new ATOM 635 N PRO A 41 -11.283 -5.537 1.634 1.00 0.00 N ATOM 636 CA PRO A 41 -12.607 -5.246 2.188 1.00 0.00 C ATOM 637 C PRO A 41 -12.560 -4.823 3.655 1.00 0.00 C ATOM 638 O PRO A 41 -13.598 -4.646 4.293 1.00 0.00 O ATOM 639 CB PRO A 41 -13.342 -6.575 2.037 1.00 0.00 C ATOM 640 CG PRO A 41 -12.273 -7.605 2.155 1.00 0.00 C ATOM 641 CD PRO A 41 -11.034 -6.994 1.556 1.00 0.00 C ATOM 0 HA PRO A 41 -13.085 -4.410 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.101 -6.699 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.852 -6.640 1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.108 -7.877 3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.551 -8.517 1.628 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.140 -7.277 2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.886 -7.320 0.526 1.00 0.00 H new ATOM 649 N LEU A 42 -11.361 -4.673 4.190 1.00 0.00 N ATOM 650 CA LEU A 42 -11.202 -4.192 5.550 1.00 0.00 C ATOM 651 C LEU A 42 -11.152 -2.671 5.544 1.00 0.00 C ATOM 652 O LEU A 42 -10.815 -2.065 4.528 1.00 0.00 O ATOM 653 CB LEU A 42 -9.935 -4.769 6.186 1.00 0.00 C ATOM 654 CG LEU A 42 -9.917 -6.294 6.345 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.623 -6.746 7.007 1.00 0.00 C ATOM 656 CD2 LEU A 42 -11.118 -6.761 7.155 1.00 0.00 C ATOM 0 H LEU A 42 -10.487 -4.877 3.705 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.053 -4.522 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.078 -4.473 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.803 -4.316 7.169 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.974 -6.743 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.628 -7.831 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.775 -6.444 6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.538 -6.287 7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.088 -7.846 7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.091 -6.302 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.036 -6.470 6.645 1.00 0.00 H new ATOM 668 N SER A 43 -11.505 -2.058 6.662 1.00 0.00 N ATOM 669 CA SER A 43 -11.508 -0.608 6.760 1.00 0.00 C ATOM 670 C SER A 43 -10.099 -0.062 6.598 1.00 0.00 C ATOM 671 O SER A 43 -9.147 -0.607 7.160 1.00 0.00 O ATOM 672 CB SER A 43 -12.085 -0.160 8.104 1.00 0.00 C ATOM 673 OG SER A 43 -12.126 1.256 8.195 1.00 0.00 O ATOM 0 H SER A 43 -11.793 -2.541 7.513 1.00 0.00 H new ATOM 0 HA SER A 43 -12.135 -0.215 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.090 -0.565 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.479 -0.562 8.916 1.00 0.00 H new ATOM 0 HG SER A 43 -12.340 1.634 7.317 1.00 0.00 H new ATOM 679 N VAL A 44 -9.972 1.023 5.843 1.00 0.00 N ATOM 680 CA VAL A 44 -8.682 1.663 5.634 1.00 0.00 C ATOM 681 C VAL A 44 -8.167 2.253 6.950 1.00 0.00 C ATOM 682 O VAL A 44 -6.971 2.516 7.113 1.00 0.00 O ATOM 683 CB VAL A 44 -8.768 2.764 4.549 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.690 3.893 4.983 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.383 3.296 4.194 1.00 0.00 C ATOM 0 H VAL A 44 -10.750 1.478 5.365 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.982 0.904 5.285 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.193 2.312 3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.730 4.651 4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.691 3.499 5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.311 4.340 5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.475 4.068 3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.917 3.720 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.766 2.481 3.815 1.00 0.00 H new ATOM 695 N GLN A 45 -9.077 2.440 7.897 1.00 0.00 N ATOM 696 CA GLN A 45 -8.714 2.941 9.207 1.00 0.00 C ATOM 697 C GLN A 45 -8.264 1.793 10.103 1.00 0.00 C ATOM 698 O GLN A 45 -7.381 1.960 10.945 1.00 0.00 O ATOM 699 CB GLN A 45 -9.892 3.691 9.834 1.00 0.00 C ATOM 700 CG GLN A 45 -9.546 4.385 11.142 1.00 0.00 C ATOM 701 CD GLN A 45 -10.614 5.362 11.588 1.00 0.00 C ATOM 702 OE1 GLN A 45 -11.537 5.006 12.321 1.00 0.00 O ATOM 703 NE2 GLN A 45 -10.495 6.602 11.136 1.00 0.00 N ATOM 0 H GLN A 45 -10.072 2.251 7.778 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.883 3.639 9.100 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.258 4.433 9.125 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.707 2.989 10.010 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.399 3.634 11.919 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.600 4.915 11.028 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.713 6.851 10.531 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.186 7.307 11.394 1.00 0.00 H new ATOM 712 N ASP A 46 -8.848 0.617 9.888 1.00 0.00 N ATOM 713 CA ASP A 46 -8.538 -0.557 10.699 1.00 0.00 C ATOM 714 C ASP A 46 -7.402 -1.381 10.098 1.00 0.00 C ATOM 715 O ASP A 46 -7.148 -2.504 10.535 1.00 0.00 O ATOM 716 CB ASP A 46 -9.778 -1.438 10.869 1.00 0.00 C ATOM 717 CG ASP A 46 -10.719 -0.928 11.942 1.00 0.00 C ATOM 718 OD1 ASP A 46 -10.516 -1.264 13.127 1.00 0.00 O ATOM 719 OD2 ASP A 46 -11.678 -0.197 11.612 1.00 0.00 O ATOM 0 H ASP A 46 -9.540 0.452 9.157 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.214 -0.195 11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.312 -1.493 9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.466 -2.452 11.118 1.00 0.00 H new ATOM 724 N VAL A 47 -6.732 -0.836 9.087 1.00 0.00 N ATOM 725 CA VAL A 47 -5.542 -1.475 8.534 1.00 0.00 C ATOM 726 C VAL A 47 -4.396 -1.385 9.535 1.00 0.00 C ATOM 727 O VAL A 47 -3.995 -0.288 9.933 1.00 0.00 O ATOM 728 CB VAL A 47 -5.107 -0.834 7.195 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.812 -1.454 6.692 1.00 0.00 C ATOM 730 CG2 VAL A 47 -6.195 -0.990 6.145 1.00 0.00 C ATOM 0 H VAL A 47 -6.991 0.042 8.636 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.791 -2.518 8.339 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.940 0.228 7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.527 -0.987 5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.023 -1.297 7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.956 -2.523 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.868 -0.532 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.392 -2.049 5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.106 -0.501 6.490 1.00 0.00 H new ATOM 740 N ASP A 48 -3.878 -2.537 9.944 1.00 0.00 N ATOM 741 CA ASP A 48 -2.838 -2.588 10.968 1.00 0.00 C ATOM 742 C ASP A 48 -1.534 -3.128 10.398 1.00 0.00 C ATOM 743 O ASP A 48 -1.514 -3.739 9.327 1.00 0.00 O ATOM 744 CB ASP A 48 -3.297 -3.450 12.151 1.00 0.00 C ATOM 745 CG ASP A 48 -2.250 -3.583 13.240 1.00 0.00 C ATOM 746 OD1 ASP A 48 -2.105 -2.646 14.047 1.00 0.00 O ATOM 747 OD2 ASP A 48 -1.564 -4.619 13.288 1.00 0.00 O ATOM 0 H ASP A 48 -4.160 -3.449 9.583 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.660 -1.572 11.319 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.202 -3.017 12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.560 -4.443 11.787 1.00 0.00 H new ATOM 752 N THR A 49 -0.459 -2.900 11.134 1.00 0.00 N ATOM 753 CA THR A 49 0.879 -3.317 10.735 1.00 0.00 C ATOM 754 C THR A 49 0.947 -4.836 10.591 1.00 0.00 C ATOM 755 O THR A 49 1.593 -5.363 9.681 1.00 0.00 O ATOM 756 CB THR A 49 1.918 -2.861 11.779 1.00 0.00 C ATOM 757 OG1 THR A 49 1.650 -1.508 12.172 1.00 0.00 O ATOM 758 CG2 THR A 49 3.332 -2.962 11.222 1.00 0.00 C ATOM 0 H THR A 49 -0.488 -2.417 12.032 1.00 0.00 H new ATOM 0 HA THR A 49 1.103 -2.854 9.774 1.00 0.00 H new ATOM 0 HB THR A 49 1.842 -3.517 12.646 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.312 -1.223 12.837 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.045 -2.634 11.978 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.542 -3.996 10.948 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.422 -2.328 10.340 1.00 0.00 H new ATOM 766 N LYS A 50 0.252 -5.529 11.488 1.00 0.00 N ATOM 767 CA LYS A 50 0.200 -6.986 11.480 1.00 0.00 C ATOM 768 C LYS A 50 -0.342 -7.485 10.149 1.00 0.00 C ATOM 769 O LYS A 50 0.211 -8.400 9.541 1.00 0.00 O ATOM 770 CB LYS A 50 -0.715 -7.474 12.603 1.00 0.00 C ATOM 771 CG LYS A 50 -0.658 -8.970 12.863 1.00 0.00 C ATOM 772 CD LYS A 50 -1.999 -9.500 13.356 1.00 0.00 C ATOM 773 CE LYS A 50 -2.617 -8.612 14.433 1.00 0.00 C ATOM 774 NZ LYS A 50 -1.810 -8.577 15.682 1.00 0.00 N ATOM 0 H LYS A 50 -0.289 -5.098 12.238 1.00 0.00 H new ATOM 0 HA LYS A 50 1.208 -7.372 11.628 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.452 -6.949 13.521 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.742 -7.200 12.362 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.374 -9.489 11.948 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.113 -9.183 13.603 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.687 -9.578 12.514 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.865 -10.507 13.752 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.723 -7.599 14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.620 -8.972 14.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.275 -7.960 16.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.729 -9.538 16.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.861 -8.208 15.472 1.00 0.00 H new ATOM 788 N LEU A 51 -1.415 -6.849 9.701 1.00 0.00 N ATOM 789 CA LEU A 51 -2.096 -7.234 8.477 1.00 0.00 C ATOM 790 C LEU A 51 -1.186 -7.049 7.269 1.00 0.00 C ATOM 791 O LEU A 51 -1.134 -7.898 6.380 1.00 0.00 O ATOM 792 CB LEU A 51 -3.368 -6.397 8.318 1.00 0.00 C ATOM 793 CG LEU A 51 -4.380 -6.524 9.459 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.619 -5.691 9.170 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.761 -7.980 9.682 1.00 0.00 C ATOM 0 H LEU A 51 -1.837 -6.052 10.177 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.362 -8.289 8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.084 -5.349 8.221 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.857 -6.682 7.387 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.914 -6.148 10.370 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.327 -5.794 9.992 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.337 -4.644 9.064 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.083 -6.037 8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.481 -8.047 10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.205 -8.383 8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.870 -8.554 9.937 1.00 0.00 H new ATOM 807 N ILE A 52 -0.454 -5.942 7.255 1.00 0.00 N ATOM 808 CA ILE A 52 0.437 -5.629 6.151 1.00 0.00 C ATOM 809 C ILE A 52 1.611 -6.606 6.106 1.00 0.00 C ATOM 810 O ILE A 52 1.982 -7.099 5.039 1.00 0.00 O ATOM 811 CB ILE A 52 0.963 -4.181 6.258 1.00 0.00 C ATOM 812 CG1 ILE A 52 -0.211 -3.200 6.341 1.00 0.00 C ATOM 813 CG2 ILE A 52 1.857 -3.846 5.072 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.210 -1.757 6.515 1.00 0.00 C ATOM 0 H ILE A 52 -0.462 -5.245 8.000 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.135 -5.725 5.228 1.00 0.00 H new ATOM 0 HB ILE A 52 1.558 -4.092 7.167 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.810 -3.287 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.852 -3.485 7.175 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.217 -2.822 5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.706 -4.529 5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.288 -3.947 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.675 -1.123 6.566 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.783 -1.654 7.436 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.826 -1.453 5.669 1.00 0.00 H new ATOM 826 N MET A 53 2.178 -6.903 7.273 1.00 0.00 N ATOM 827 CA MET A 53 3.309 -7.818 7.363 1.00 0.00 C ATOM 828 C MET A 53 2.908 -9.229 6.940 1.00 0.00 C ATOM 829 O MET A 53 3.710 -9.961 6.356 1.00 0.00 O ATOM 830 CB MET A 53 3.893 -7.835 8.779 1.00 0.00 C ATOM 831 CG MET A 53 4.607 -6.547 9.158 1.00 0.00 C ATOM 832 SD MET A 53 5.425 -6.642 10.767 1.00 0.00 S ATOM 833 CE MET A 53 4.025 -6.927 11.841 1.00 0.00 C ATOM 0 H MET A 53 1.871 -6.522 8.168 1.00 0.00 H new ATOM 0 HA MET A 53 4.077 -7.458 6.679 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.090 -8.019 9.492 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.592 -8.667 8.865 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.347 -6.309 8.394 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.887 -5.729 9.170 1.00 0.00 H new ATOM 0 HE1 MET A 53 4.317 -6.745 12.875 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.214 -6.251 11.569 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.689 -7.958 11.735 1.00 0.00 H new ATOM 843 N LYS A 54 1.667 -9.605 7.239 1.00 0.00 N ATOM 844 CA LYS A 54 1.137 -10.906 6.836 1.00 0.00 C ATOM 845 C LYS A 54 1.137 -11.051 5.318 1.00 0.00 C ATOM 846 O LYS A 54 1.380 -12.133 4.795 1.00 0.00 O ATOM 847 CB LYS A 54 -0.281 -11.122 7.376 1.00 0.00 C ATOM 848 CG LYS A 54 -0.343 -11.330 8.883 1.00 0.00 C ATOM 849 CD LYS A 54 -1.761 -11.632 9.345 1.00 0.00 C ATOM 850 CE LYS A 54 -2.273 -12.946 8.770 1.00 0.00 C ATOM 851 NZ LYS A 54 -3.659 -13.244 9.215 1.00 0.00 N ATOM 0 H LYS A 54 1.008 -9.026 7.760 1.00 0.00 H new ATOM 0 HA LYS A 54 1.791 -11.666 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.895 -10.260 7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.719 -11.989 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.316 -12.151 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.024 -10.438 9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.787 -11.676 10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.423 -10.820 9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.243 -12.902 7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.612 -13.757 9.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.970 -14.146 8.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.684 -13.312 10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.295 -12.483 8.903 1.00 0.00 H new ATOM 865 N VAL A 55 0.845 -9.961 4.621 1.00 0.00 N ATOM 866 CA VAL A 55 0.796 -9.978 3.163 1.00 0.00 C ATOM 867 C VAL A 55 2.200 -9.960 2.566 1.00 0.00 C ATOM 868 O VAL A 55 2.532 -10.782 1.716 1.00 0.00 O ATOM 869 CB VAL A 55 0.006 -8.771 2.609 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.137 -8.869 1.097 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.357 -8.668 3.273 1.00 0.00 C ATOM 0 H VAL A 55 0.639 -9.054 5.040 1.00 0.00 H new ATOM 0 HA VAL A 55 0.289 -10.900 2.877 1.00 0.00 H new ATOM 0 HB VAL A 55 0.565 -7.864 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.696 -8.009 0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.852 -8.883 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.669 -9.785 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.895 -7.811 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.925 -9.578 3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.229 -8.541 4.348 1.00 0.00 H new ATOM 881 N LEU A 56 3.028 -9.036 3.043 1.00 0.00 N ATOM 882 CA LEU A 56 4.337 -8.788 2.441 1.00 0.00 C ATOM 883 C LEU A 56 5.312 -9.946 2.640 1.00 0.00 C ATOM 884 O LEU A 56 6.110 -10.236 1.750 1.00 0.00 O ATOM 885 CB LEU A 56 4.950 -7.504 3.005 1.00 0.00 C ATOM 886 CG LEU A 56 4.192 -6.217 2.671 1.00 0.00 C ATOM 887 CD1 LEU A 56 4.899 -5.010 3.269 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.041 -6.054 1.164 1.00 0.00 C ATOM 0 H LEU A 56 2.817 -8.444 3.847 1.00 0.00 H new ATOM 0 HA LEU A 56 4.168 -8.683 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.015 -7.597 4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.970 -7.413 2.631 1.00 0.00 H new ATOM 0 HG LEU A 56 3.196 -6.286 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.345 -4.104 3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.951 -5.118 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.908 -4.941 2.863 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.499 -5.133 0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.027 -6.011 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.488 -6.902 0.760 1.00 0.00 H new ATOM 900 N ASP A 57 5.248 -10.606 3.797 1.00 0.00 N ATOM 901 CA ASP A 57 6.226 -11.647 4.143 1.00 0.00 C ATOM 902 C ASP A 57 6.271 -12.766 3.088 1.00 0.00 C ATOM 903 O ASP A 57 7.350 -13.094 2.592 1.00 0.00 O ATOM 904 CB ASP A 57 5.950 -12.220 5.537 1.00 0.00 C ATOM 905 CG ASP A 57 7.159 -12.921 6.126 1.00 0.00 C ATOM 906 OD1 ASP A 57 8.010 -12.241 6.740 1.00 0.00 O ATOM 907 OD2 ASP A 57 7.259 -14.158 5.986 1.00 0.00 O ATOM 0 H ASP A 57 4.536 -10.442 4.508 1.00 0.00 H new ATOM 0 HA ASP A 57 7.208 -11.174 4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.641 -11.414 6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.119 -12.923 5.480 1.00 0.00 H new ATOM 912 N PRO A 58 5.116 -13.378 2.729 1.00 0.00 N ATOM 913 CA PRO A 58 5.048 -14.335 1.613 1.00 0.00 C ATOM 914 C PRO A 58 5.633 -13.771 0.316 1.00 0.00 C ATOM 915 O PRO A 58 6.295 -14.481 -0.442 1.00 0.00 O ATOM 916 CB PRO A 58 3.549 -14.577 1.426 1.00 0.00 C ATOM 917 CG PRO A 58 2.920 -14.243 2.732 1.00 0.00 C ATOM 918 CD PRO A 58 3.810 -13.234 3.406 1.00 0.00 C ATOM 0 HA PRO A 58 5.624 -15.234 1.834 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.148 -13.952 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.351 -15.613 1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.919 -13.837 2.585 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.814 -15.136 3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.417 -12.223 3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.894 -13.431 4.475 1.00 0.00 H new ATOM 926 N ILE A 59 5.393 -12.487 0.075 1.00 0.00 N ATOM 927 CA ILE A 59 5.804 -11.846 -1.167 1.00 0.00 C ATOM 928 C ILE A 59 7.327 -11.752 -1.267 1.00 0.00 C ATOM 929 O ILE A 59 7.879 -11.859 -2.357 1.00 0.00 O ATOM 930 CB ILE A 59 5.184 -10.437 -1.315 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.660 -10.502 -1.172 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.557 -9.827 -2.660 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.984 -9.146 -1.230 1.00 0.00 C ATOM 0 H ILE A 59 4.913 -11.867 0.728 1.00 0.00 H new ATOM 0 HA ILE A 59 5.436 -12.472 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 59 5.583 -9.805 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.256 -11.134 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.413 -10.981 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.112 -8.836 -2.746 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.641 -9.745 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.185 -10.463 -3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.907 -9.272 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.359 -8.518 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.200 -8.673 -2.188 1.00 0.00 H new ATOM 945 N TRP A 60 8.005 -11.583 -0.134 1.00 0.00 N ATOM 946 CA TRP A 60 9.468 -11.497 -0.125 1.00 0.00 C ATOM 947 C TRP A 60 10.104 -12.740 -0.748 1.00 0.00 C ATOM 948 O TRP A 60 11.145 -12.655 -1.402 1.00 0.00 O ATOM 949 CB TRP A 60 9.999 -11.316 1.300 1.00 0.00 C ATOM 950 CG TRP A 60 9.725 -9.963 1.888 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.857 -9.669 2.900 1.00 0.00 C ATOM 952 CD2 TRP A 60 10.332 -8.721 1.506 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.882 -8.321 3.168 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.779 -7.717 2.325 1.00 0.00 C ATOM 955 CE3 TRP A 60 11.288 -8.359 0.550 1.00 0.00 C ATOM 956 CZ2 TRP A 60 10.151 -6.379 2.218 1.00 0.00 C ATOM 957 CZ3 TRP A 60 11.656 -7.030 0.445 1.00 0.00 C ATOM 958 CH2 TRP A 60 11.088 -6.055 1.273 1.00 0.00 C ATOM 0 H TRP A 60 7.571 -11.503 0.785 1.00 0.00 H new ATOM 0 HA TRP A 60 9.740 -10.627 -0.722 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.554 -12.076 1.942 1.00 0.00 H new ATOM 0 HB3 TRP A 60 11.075 -11.489 1.300 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.240 -10.391 3.415 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.324 -7.847 3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.730 -9.104 -0.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 9.716 -5.624 2.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 12.394 -6.740 -0.288 1.00 0.00 H new ATOM 0 HH2 TRP A 60 11.395 -5.025 1.164 1.00 0.00 H new ATOM 969 N GLU A 61 9.466 -13.886 -0.546 1.00 0.00 N ATOM 970 CA GLU A 61 9.961 -15.144 -1.057 1.00 0.00 C ATOM 971 C GLU A 61 9.909 -15.189 -2.584 1.00 0.00 C ATOM 972 O GLU A 61 10.868 -15.607 -3.235 1.00 0.00 O ATOM 973 CB GLU A 61 9.127 -16.273 -0.466 1.00 0.00 C ATOM 974 CG GLU A 61 9.366 -16.503 1.017 1.00 0.00 C ATOM 975 CD GLU A 61 10.759 -17.027 1.306 1.00 0.00 C ATOM 976 OE1 GLU A 61 10.992 -18.239 1.105 1.00 0.00 O ATOM 977 OE2 GLU A 61 11.624 -16.238 1.734 1.00 0.00 O ATOM 0 H GLU A 61 8.593 -13.963 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 61 11.005 -15.257 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.071 -16.053 -0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.345 -17.194 -1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.214 -15.568 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.629 -17.212 1.395 1.00 0.00 H new ATOM 984 N GLN A 62 8.792 -14.745 -3.147 1.00 0.00 N ATOM 985 CA GLN A 62 8.574 -14.822 -4.587 1.00 0.00 C ATOM 986 C GLN A 62 9.035 -13.558 -5.303 1.00 0.00 C ATOM 987 O GLN A 62 9.824 -13.623 -6.246 1.00 0.00 O ATOM 988 CB GLN A 62 7.096 -15.084 -4.888 1.00 0.00 C ATOM 989 CG GLN A 62 6.132 -14.259 -4.046 1.00 0.00 C ATOM 990 CD GLN A 62 4.679 -14.536 -4.377 1.00 0.00 C ATOM 991 OE1 GLN A 62 4.339 -14.846 -5.518 1.00 0.00 O ATOM 992 NE2 GLN A 62 3.813 -14.432 -3.380 1.00 0.00 N ATOM 0 H GLN A 62 8.021 -14.327 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 62 9.173 -15.652 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.909 -14.877 -5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.886 -16.142 -4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.306 -14.470 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.339 -13.200 -4.198 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.137 -14.172 -2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.822 -14.612 -3.544 1.00 0.00 H new ATOM 1001 N LYS A 63 8.550 -12.415 -4.848 1.00 0.00 N ATOM 1002 CA LYS A 63 8.800 -11.149 -5.521 1.00 0.00 C ATOM 1003 C LYS A 63 9.213 -10.073 -4.517 1.00 0.00 C ATOM 1004 O LYS A 63 8.391 -9.245 -4.116 1.00 0.00 O ATOM 1005 CB LYS A 63 7.539 -10.691 -6.265 1.00 0.00 C ATOM 1006 CG LYS A 63 6.998 -11.688 -7.280 1.00 0.00 C ATOM 1007 CD LYS A 63 7.897 -11.801 -8.499 1.00 0.00 C ATOM 1008 CE LYS A 63 7.173 -12.439 -9.678 1.00 0.00 C ATOM 1009 NZ LYS A 63 6.588 -13.768 -9.348 1.00 0.00 N ATOM 0 H LYS A 63 7.976 -12.337 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 63 9.612 -11.298 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.759 -10.480 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.757 -9.754 -6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.899 -12.667 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.000 -11.382 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.251 -10.810 -8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.777 -12.394 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.380 -11.772 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.870 -12.550 -10.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.243 -14.221 -10.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.315 -14.368 -8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.796 -13.644 -8.685 1.00 0.00 H new ATOM 1023 N PRO A 64 10.485 -10.067 -4.084 1.00 0.00 N ATOM 1024 CA PRO A 64 10.978 -9.088 -3.110 1.00 0.00 C ATOM 1025 C PRO A 64 10.952 -7.671 -3.671 1.00 0.00 C ATOM 1026 O PRO A 64 10.720 -6.700 -2.944 1.00 0.00 O ATOM 1027 CB PRO A 64 12.419 -9.538 -2.835 1.00 0.00 C ATOM 1028 CG PRO A 64 12.801 -10.357 -4.020 1.00 0.00 C ATOM 1029 CD PRO A 64 11.536 -11.008 -4.502 1.00 0.00 C ATOM 0 HA PRO A 64 10.361 -9.055 -2.212 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.084 -8.682 -2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.482 -10.121 -1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 64 13.240 -9.734 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.547 -11.105 -3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.543 -11.148 -5.583 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.395 -11.992 -4.054 1.00 0.00 H new ATOM 1037 N GLU A 65 11.176 -7.566 -4.976 1.00 0.00 N ATOM 1038 CA GLU A 65 11.135 -6.304 -5.672 1.00 0.00 C ATOM 1039 C GLU A 65 9.725 -5.722 -5.629 1.00 0.00 C ATOM 1040 O GLU A 65 9.534 -4.533 -5.365 1.00 0.00 O ATOM 1041 CB GLU A 65 11.576 -6.524 -7.112 1.00 0.00 C ATOM 1042 CG GLU A 65 12.914 -7.236 -7.231 1.00 0.00 C ATOM 1043 CD GLU A 65 13.318 -7.479 -8.666 1.00 0.00 C ATOM 1044 OE1 GLU A 65 12.962 -8.541 -9.214 1.00 0.00 O ATOM 1045 OE2 GLU A 65 14.000 -6.614 -9.251 1.00 0.00 O ATOM 0 H GLU A 65 11.391 -8.363 -5.575 1.00 0.00 H new ATOM 0 HA GLU A 65 11.808 -5.595 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.815 -7.106 -7.632 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.640 -5.560 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.683 -6.642 -6.737 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.862 -8.190 -6.706 1.00 0.00 H new ATOM 1052 N THR A 66 8.741 -6.581 -5.861 1.00 0.00 N ATOM 1053 CA THR A 66 7.349 -6.172 -5.864 1.00 0.00 C ATOM 1054 C THR A 66 6.894 -5.797 -4.459 1.00 0.00 C ATOM 1055 O THR A 66 6.141 -4.844 -4.281 1.00 0.00 O ATOM 1056 CB THR A 66 6.452 -7.291 -6.425 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.005 -7.771 -7.659 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.031 -6.798 -6.661 1.00 0.00 C ATOM 0 H THR A 66 8.887 -7.573 -6.051 1.00 0.00 H new ATOM 0 HA THR A 66 7.259 -5.296 -6.507 1.00 0.00 H new ATOM 0 HB THR A 66 6.413 -8.097 -5.692 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.522 -8.575 -7.943 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.424 -7.612 -7.057 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.605 -6.453 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.045 -5.975 -7.376 1.00 0.00 H new ATOM 1066 N ALA A 67 7.376 -6.537 -3.465 1.00 0.00 N ATOM 1067 CA ALA A 67 7.068 -6.240 -2.071 1.00 0.00 C ATOM 1068 C ALA A 67 7.567 -4.850 -1.696 1.00 0.00 C ATOM 1069 O ALA A 67 6.862 -4.080 -1.043 1.00 0.00 O ATOM 1070 CB ALA A 67 7.678 -7.290 -1.155 1.00 0.00 C ATOM 0 H ALA A 67 7.982 -7.347 -3.600 1.00 0.00 H new ATOM 0 HA ALA A 67 5.985 -6.261 -1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.438 -7.052 -0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.273 -8.271 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.760 -7.300 -1.284 1.00 0.00 H new ATOM 1076 N SER A 68 8.780 -4.533 -2.130 1.00 0.00 N ATOM 1077 CA SER A 68 9.369 -3.228 -1.874 1.00 0.00 C ATOM 1078 C SER A 68 8.559 -2.126 -2.562 1.00 0.00 C ATOM 1079 O SER A 68 8.250 -1.093 -1.962 1.00 0.00 O ATOM 1080 CB SER A 68 10.818 -3.211 -2.368 1.00 0.00 C ATOM 1081 OG SER A 68 11.560 -4.292 -1.817 1.00 0.00 O ATOM 0 H SER A 68 9.376 -5.166 -2.663 1.00 0.00 H new ATOM 0 HA SER A 68 9.355 -3.040 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.835 -3.272 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.288 -2.266 -2.094 1.00 0.00 H new ATOM 0 HG SER A 68 11.280 -5.130 -2.240 1.00 0.00 H new ATOM 1087 N ARG A 69 8.202 -2.370 -3.818 1.00 0.00 N ATOM 1088 CA ARG A 69 7.445 -1.417 -4.612 1.00 0.00 C ATOM 1089 C ARG A 69 6.025 -1.230 -4.077 1.00 0.00 C ATOM 1090 O ARG A 69 5.506 -0.113 -4.044 1.00 0.00 O ATOM 1091 CB ARG A 69 7.403 -1.894 -6.057 1.00 0.00 C ATOM 1092 CG ARG A 69 8.716 -1.724 -6.786 1.00 0.00 C ATOM 1093 CD ARG A 69 8.946 -0.276 -7.194 1.00 0.00 C ATOM 1094 NE ARG A 69 10.208 -0.095 -7.914 1.00 0.00 N ATOM 1095 CZ ARG A 69 10.405 -0.445 -9.186 1.00 0.00 C ATOM 1096 NH1 ARG A 69 9.442 -1.039 -9.879 1.00 0.00 N ATOM 1097 NH2 ARG A 69 11.574 -0.207 -9.759 1.00 0.00 N ATOM 0 H ARG A 69 8.430 -3.233 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 69 7.943 -0.449 -4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.120 -2.946 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.627 -1.345 -6.590 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.534 -2.057 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.726 -2.358 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.121 0.057 -7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.944 0.354 -6.305 1.00 0.00 H new ATOM 0 HE ARG A 69 10.988 0.327 -7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.542 -1.232 -9.440 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.602 -1.303 -10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.320 0.242 -9.228 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.729 -0.473 -10.731 1.00 0.00 H new ATOM 1111 N LEU A 70 5.401 -2.327 -3.661 1.00 0.00 N ATOM 1112 CA LEU A 70 4.038 -2.288 -3.147 1.00 0.00 C ATOM 1113 C LEU A 70 3.985 -1.545 -1.820 1.00 0.00 C ATOM 1114 O LEU A 70 3.047 -0.791 -1.563 1.00 0.00 O ATOM 1115 CB LEU A 70 3.484 -3.708 -2.980 1.00 0.00 C ATOM 1116 CG LEU A 70 2.029 -3.794 -2.513 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.100 -3.149 -3.533 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.637 -5.242 -2.272 1.00 0.00 C ATOM 0 H LEU A 70 5.820 -3.257 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 70 3.419 -1.755 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.573 -4.229 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.110 -4.242 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 70 1.934 -3.249 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.070 -3.220 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.369 -2.100 -3.658 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.195 -3.664 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.600 -5.288 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.747 -5.808 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.282 -5.671 -1.505 1.00 0.00 H new ATOM 1130 N ARG A 71 5.012 -1.739 -0.994 1.00 0.00 N ATOM 1131 CA ARG A 71 5.088 -1.087 0.309 1.00 0.00 C ATOM 1132 C ARG A 71 5.063 0.427 0.130 1.00 0.00 C ATOM 1133 O ARG A 71 4.394 1.140 0.879 1.00 0.00 O ATOM 1134 CB ARG A 71 6.365 -1.527 1.043 1.00 0.00 C ATOM 1135 CG ARG A 71 6.313 -1.373 2.561 1.00 0.00 C ATOM 1136 CD ARG A 71 6.407 0.079 3.006 1.00 0.00 C ATOM 1137 NE ARG A 71 7.691 0.686 2.657 1.00 0.00 N ATOM 1138 CZ ARG A 71 8.234 1.706 3.322 1.00 0.00 C ATOM 1139 NH1 ARG A 71 7.612 2.228 4.370 1.00 0.00 N ATOM 1140 NH2 ARG A 71 9.402 2.201 2.939 1.00 0.00 N ATOM 0 H ARG A 71 5.805 -2.345 -1.207 1.00 0.00 H new ATOM 0 HA ARG A 71 4.228 -1.380 0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.564 -2.572 0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.205 -0.947 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.384 -1.804 2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.130 -1.940 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.601 0.650 2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.262 0.136 4.085 1.00 0.00 H new ATOM 0 HE ARG A 71 8.201 0.307 1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.714 1.849 4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.032 3.008 4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.886 1.802 2.135 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.817 2.981 3.448 1.00 0.00 H new ATOM 1154 N GLY A 72 5.780 0.903 -0.882 1.00 0.00 N ATOM 1155 CA GLY A 72 5.805 2.323 -1.175 1.00 0.00 C ATOM 1156 C GLY A 72 4.443 2.850 -1.584 1.00 0.00 C ATOM 1157 O GLY A 72 4.053 3.950 -1.197 1.00 0.00 O ATOM 0 H GLY A 72 6.346 0.328 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.154 2.867 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.521 2.514 -1.974 1.00 0.00 H new ATOM 1161 N ARG A 73 3.713 2.054 -2.359 1.00 0.00 N ATOM 1162 CA ARG A 73 2.370 2.431 -2.788 1.00 0.00 C ATOM 1163 C ARG A 73 1.427 2.526 -1.593 1.00 0.00 C ATOM 1164 O ARG A 73 0.648 3.472 -1.484 1.00 0.00 O ATOM 1165 CB ARG A 73 1.819 1.431 -3.810 1.00 0.00 C ATOM 1166 CG ARG A 73 2.433 1.566 -5.195 1.00 0.00 C ATOM 1167 CD ARG A 73 1.779 0.616 -6.188 1.00 0.00 C ATOM 1168 NE ARG A 73 2.219 0.855 -7.566 1.00 0.00 N ATOM 1169 CZ ARG A 73 2.151 -0.061 -8.538 1.00 0.00 C ATOM 1170 NH1 ARG A 73 1.668 -1.270 -8.279 1.00 0.00 N ATOM 1171 NH2 ARG A 73 2.551 0.235 -9.769 1.00 0.00 N ATOM 0 H ARG A 73 4.027 1.146 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 73 2.436 3.410 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.992 0.419 -3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.740 1.562 -3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.323 2.592 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.502 1.360 -5.142 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.010 -0.412 -5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.696 0.725 -6.132 1.00 0.00 H new ATOM 0 HE ARG A 73 2.599 1.773 -7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.348 -1.501 -7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.616 -1.968 -9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.913 1.166 -9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.497 -0.468 -10.506 1.00 0.00 H new ATOM 1185 N ILE A 74 1.514 1.551 -0.696 1.00 0.00 N ATOM 1186 CA ILE A 74 0.676 1.528 0.498 1.00 0.00 C ATOM 1187 C ILE A 74 0.928 2.770 1.357 1.00 0.00 C ATOM 1188 O ILE A 74 -0.011 3.386 1.866 1.00 0.00 O ATOM 1189 CB ILE A 74 0.926 0.254 1.337 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.700 -0.999 0.486 1.00 0.00 C ATOM 1191 CG2 ILE A 74 0.016 0.231 2.560 1.00 0.00 C ATOM 1192 CD1 ILE A 74 1.060 -2.290 1.191 1.00 0.00 C ATOM 0 H ILE A 74 2.158 0.764 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.363 1.525 0.169 1.00 0.00 H new ATOM 0 HB ILE A 74 1.962 0.264 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.347 -1.039 0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.290 -0.918 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.206 -0.673 3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.216 1.106 3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.026 0.244 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.873 -3.133 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.114 -2.272 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.452 -2.396 2.090 1.00 0.00 H new ATOM 1204 N GLU A 75 2.200 3.144 1.483 1.00 0.00 N ATOM 1205 CA GLU A 75 2.592 4.323 2.255 1.00 0.00 C ATOM 1206 C GLU A 75 1.931 5.579 1.686 1.00 0.00 C ATOM 1207 O GLU A 75 1.340 6.373 2.419 1.00 0.00 O ATOM 1208 CB GLU A 75 4.115 4.480 2.219 1.00 0.00 C ATOM 1209 CG GLU A 75 4.761 4.656 3.584 1.00 0.00 C ATOM 1210 CD GLU A 75 4.263 5.879 4.328 1.00 0.00 C ATOM 1211 OE1 GLU A 75 4.748 6.997 4.045 1.00 0.00 O ATOM 1212 OE2 GLU A 75 3.393 5.726 5.205 1.00 0.00 O ATOM 0 H GLU A 75 2.981 2.645 1.058 1.00 0.00 H new ATOM 0 HA GLU A 75 2.264 4.191 3.286 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.547 3.603 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.365 5.341 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.568 3.769 4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.842 4.729 3.461 1.00 0.00 H new ATOM 1219 N SER A 76 2.013 5.734 0.369 1.00 0.00 N ATOM 1220 CA SER A 76 1.457 6.896 -0.310 1.00 0.00 C ATOM 1221 C SER A 76 -0.060 6.980 -0.147 1.00 0.00 C ATOM 1222 O SER A 76 -0.614 8.064 0.059 1.00 0.00 O ATOM 1223 CB SER A 76 1.825 6.848 -1.789 1.00 0.00 C ATOM 1224 OG SER A 76 3.233 6.839 -1.963 1.00 0.00 O ATOM 0 H SER A 76 2.463 5.063 -0.253 1.00 0.00 H new ATOM 0 HA SER A 76 1.883 7.789 0.148 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.393 5.958 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.397 7.709 -2.302 1.00 0.00 H new ATOM 0 HG SER A 76 3.585 5.952 -1.739 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.729 5.835 -0.232 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.182 5.791 -0.123 1.00 0.00 C ATOM 1232 C VAL A 77 -2.635 6.108 1.300 1.00 0.00 C ATOM 1233 O VAL A 77 -3.532 6.926 1.505 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.748 4.417 -0.541 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.259 4.365 -0.347 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.394 4.111 -1.985 1.00 0.00 C ATOM 0 H VAL A 77 -0.289 4.926 -0.376 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.569 6.549 -0.804 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.295 3.660 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.631 3.386 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.497 4.535 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.731 5.136 -0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.802 3.139 -2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.816 4.879 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.310 4.096 -2.098 1.00 0.00 H new ATOM 1246 N LEU A 78 -2.003 5.469 2.279 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.370 5.656 3.680 1.00 0.00 C ATOM 1248 C LEU A 78 -2.050 7.071 4.152 1.00 0.00 C ATOM 1249 O LEU A 78 -2.776 7.640 4.972 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.664 4.627 4.562 1.00 0.00 C ATOM 1251 CG LEU A 78 -2.110 3.180 4.348 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -1.327 2.242 5.247 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.603 3.038 4.607 1.00 0.00 C ATOM 0 H LEU A 78 -1.234 4.816 2.129 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.447 5.509 3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.591 4.691 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.828 4.892 5.607 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.911 2.910 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.659 1.217 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.264 2.321 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.495 2.513 6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.903 2.002 4.450 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.823 3.328 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.154 3.683 3.922 1.00 0.00 H new ATOM 1265 N ASP A 79 -0.968 7.640 3.625 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.596 9.017 3.937 1.00 0.00 C ATOM 1267 C ASP A 79 -1.696 9.958 3.461 1.00 0.00 C ATOM 1268 O ASP A 79 -2.146 10.837 4.196 1.00 0.00 O ATOM 1269 CB ASP A 79 0.735 9.375 3.263 1.00 0.00 C ATOM 1270 CG ASP A 79 1.382 10.618 3.841 1.00 0.00 C ATOM 1271 OD1 ASP A 79 0.960 11.740 3.491 1.00 0.00 O ATOM 1272 OD2 ASP A 79 2.341 10.475 4.633 1.00 0.00 O ATOM 0 H ASP A 79 -0.334 7.168 2.980 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.474 9.120 5.015 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.423 8.535 3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.566 9.524 2.196 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.146 9.728 2.231 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.233 10.495 1.635 1.00 0.00 C ATOM 1279 C TRP A 80 -4.516 10.324 2.448 1.00 0.00 C ATOM 1280 O TRP A 80 -5.216 11.295 2.740 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.446 10.028 0.190 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.542 10.742 -0.544 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.441 11.920 -1.225 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.901 10.314 -0.682 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.656 12.251 -1.778 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.568 11.281 -1.458 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.618 9.205 -0.223 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.918 11.171 -1.781 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.956 9.100 -0.544 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.593 10.077 -1.319 1.00 0.00 C ATOM 0 H TRP A 80 -1.767 9.005 1.620 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.972 11.553 1.637 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.514 10.158 -0.360 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.667 8.961 0.196 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.539 12.507 -1.316 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.847 13.083 -2.336 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.134 8.445 0.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.414 11.924 -2.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.521 8.250 -0.192 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.640 9.963 -1.557 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.805 9.081 2.826 1.00 0.00 N ATOM 1302 CA ALA A 81 -6.000 8.762 3.603 1.00 0.00 C ATOM 1303 C ALA A 81 -6.006 9.495 4.941 1.00 0.00 C ATOM 1304 O ALA A 81 -7.056 9.921 5.423 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.093 7.264 3.828 1.00 0.00 C ATOM 0 H ALA A 81 -4.223 8.273 2.605 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.868 9.094 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.988 7.038 4.408 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.146 6.754 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.212 6.922 4.372 1.00 0.00 H new ATOM 1311 N THR A 82 -4.832 9.634 5.539 1.00 0.00 N ATOM 1312 CA THR A 82 -4.693 10.349 6.799 1.00 0.00 C ATOM 1313 C THR A 82 -4.998 11.838 6.614 1.00 0.00 C ATOM 1314 O THR A 82 -5.714 12.438 7.418 1.00 0.00 O ATOM 1315 CB THR A 82 -3.278 10.162 7.384 1.00 0.00 C ATOM 1316 OG1 THR A 82 -3.010 8.761 7.554 1.00 0.00 O ATOM 1317 CG2 THR A 82 -3.137 10.874 8.722 1.00 0.00 C ATOM 0 H THR A 82 -3.958 9.259 5.170 1.00 0.00 H new ATOM 0 HA THR A 82 -5.414 9.932 7.502 1.00 0.00 H new ATOM 0 HB THR A 82 -2.560 10.597 6.689 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.939 8.332 6.675 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.129 10.724 9.109 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.319 11.940 8.588 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.861 10.468 9.428 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.485 12.416 5.531 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.725 13.824 5.223 1.00 0.00 C ATOM 1327 C VAL A 83 -6.203 14.065 4.919 1.00 0.00 C ATOM 1328 O VAL A 83 -6.796 15.040 5.381 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.877 14.286 4.017 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -4.127 15.757 3.705 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.397 14.029 4.269 1.00 0.00 C ATOM 0 H VAL A 83 -3.900 11.931 4.851 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.435 14.402 6.100 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.181 13.703 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.518 16.057 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.181 15.905 3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.861 16.363 4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.818 14.362 3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.078 14.579 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.234 12.963 4.426 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.788 13.156 4.149 1.00 0.00 N ATOM 1342 CA ARG A 84 -8.191 13.250 3.769 1.00 0.00 C ATOM 1343 C ARG A 84 -9.113 13.018 4.958 1.00 0.00 C ATOM 1344 O ARG A 84 -10.250 13.496 4.975 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.494 12.234 2.671 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.920 12.612 1.318 1.00 0.00 C ATOM 1347 CD ARG A 84 -8.607 13.836 0.739 1.00 0.00 C ATOM 1348 NE ARG A 84 -10.054 13.644 0.631 1.00 0.00 N ATOM 1349 CZ ARG A 84 -10.771 13.884 -0.464 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -10.192 14.355 -1.561 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -12.079 13.667 -0.452 1.00 0.00 N ATOM 0 H ARG A 84 -6.307 12.339 3.773 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.373 14.259 3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.097 11.263 2.966 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.574 12.122 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.852 12.807 1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.029 11.774 0.630 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.401 14.701 1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.194 14.053 -0.246 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.549 13.301 1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.188 14.536 -1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.751 14.536 -2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.530 13.318 0.394 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.634 13.849 -1.288 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.624 12.289 5.945 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.417 12.021 7.124 1.00 0.00 C ATOM 1367 C GLY A 85 -10.196 10.727 7.006 1.00 0.00 C ATOM 1368 O GLY A 85 -11.425 10.723 7.099 1.00 0.00 O ATOM 0 H GLY A 85 -7.691 11.877 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.764 11.972 7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.109 12.846 7.290 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.486 9.631 6.761 1.00 0.00 N ATOM 1373 CA TYR A 86 -10.112 8.315 6.694 1.00 0.00 C ATOM 1374 C TYR A 86 -9.482 7.343 7.691 1.00 0.00 C ATOM 1375 O TYR A 86 -9.791 6.151 7.679 1.00 0.00 O ATOM 1376 CB TYR A 86 -10.008 7.736 5.278 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.884 8.437 4.265 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -12.266 8.316 4.318 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -10.332 9.213 3.255 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -13.073 8.950 3.395 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -11.134 9.851 2.328 1.00 0.00 C ATOM 1382 CZ TYR A 86 -12.503 9.715 2.403 1.00 0.00 C ATOM 1383 OH TYR A 86 -13.307 10.349 1.485 1.00 0.00 O ATOM 0 H TYR A 86 -8.478 9.627 6.606 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.163 8.444 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.971 7.793 4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.276 6.680 5.307 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.717 7.716 5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.259 9.320 3.193 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.147 8.846 3.451 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.690 10.453 1.549 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.750 10.849 0.852 1.00 0.00 H new ATOM 1393 N ARG A 87 -8.616 7.851 8.567 1.00 0.00 N ATOM 1394 CA ARG A 87 -7.921 6.995 9.530 1.00 0.00 C ATOM 1395 C ARG A 87 -7.221 7.818 10.606 1.00 0.00 C ATOM 1396 O ARG A 87 -7.247 7.457 11.782 1.00 0.00 O ATOM 1397 CB ARG A 87 -6.914 6.064 8.838 1.00 0.00 C ATOM 1398 CG ARG A 87 -5.882 6.772 7.975 1.00 0.00 C ATOM 1399 CD ARG A 87 -4.783 5.815 7.533 1.00 0.00 C ATOM 1400 NE ARG A 87 -3.908 5.442 8.647 1.00 0.00 N ATOM 1401 CZ ARG A 87 -3.943 4.264 9.279 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -4.808 3.324 8.909 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -3.102 4.026 10.281 1.00 0.00 N ATOM 0 H ARG A 87 -8.380 8.841 8.631 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.682 6.379 10.009 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.394 5.484 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.462 5.356 8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.369 7.200 7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.444 7.600 8.533 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.232 4.918 7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.191 6.280 6.745 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.224 6.129 8.963 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.452 3.499 8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.828 2.428 9.397 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.433 4.741 10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.126 3.128 10.765 1.00 0.00 H new ATOM 1417 N GLU A 88 -6.639 8.935 10.190 1.00 0.00 N ATOM 1418 CA GLU A 88 -5.876 9.827 11.071 1.00 0.00 C ATOM 1419 C GLU A 88 -4.684 9.120 11.728 1.00 0.00 C ATOM 1420 O GLU A 88 -4.455 7.923 11.526 1.00 0.00 O ATOM 1421 CB GLU A 88 -6.776 10.454 12.145 1.00 0.00 C ATOM 1422 CG GLU A 88 -7.803 11.444 11.601 1.00 0.00 C ATOM 1423 CD GLU A 88 -8.911 10.779 10.809 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -8.718 10.518 9.608 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -9.983 10.515 11.390 1.00 0.00 O ATOM 0 H GLU A 88 -6.680 9.256 9.223 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.481 10.621 10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.300 9.658 12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.149 10.964 12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.241 11.997 12.432 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.297 12.171 10.966 1.00 0.00 H new ATOM 1432 N GLY A 89 -3.918 9.879 12.502 1.00 0.00 N ATOM 1433 CA GLY A 89 -2.757 9.332 13.172 1.00 0.00 C ATOM 1434 C GLY A 89 -1.561 9.252 12.249 1.00 0.00 C ATOM 1435 O GLY A 89 -1.176 10.247 11.634 1.00 0.00 O ATOM 0 H GLY A 89 -4.083 10.870 12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.510 9.951 14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.991 8.337 13.551 1.00 0.00 H new ATOM 1439 N ASP A 90 -0.977 8.069 12.149 1.00 0.00 N ATOM 1440 CA ASP A 90 0.126 7.831 11.228 1.00 0.00 C ATOM 1441 C ASP A 90 -0.091 6.485 10.551 1.00 0.00 C ATOM 1442 O ASP A 90 -1.121 5.838 10.777 1.00 0.00 O ATOM 1443 CB ASP A 90 1.471 7.873 11.965 1.00 0.00 C ATOM 1444 CG ASP A 90 2.641 8.120 11.026 1.00 0.00 C ATOM 1445 OD1 ASP A 90 2.901 9.292 10.689 1.00 0.00 O ATOM 1446 OD2 ASP A 90 3.295 7.146 10.606 1.00 0.00 O ATOM 0 H ASP A 90 -1.249 7.253 12.697 1.00 0.00 H new ATOM 0 HA ASP A 90 0.152 8.616 10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.443 8.658 12.721 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.624 6.930 12.490 1.00 0.00 H new ATOM 1451 N ASN A 91 0.850 6.050 9.733 1.00 0.00 N ATOM 1452 CA ASN A 91 0.654 4.866 8.936 1.00 0.00 C ATOM 1453 C ASN A 91 1.353 3.657 9.536 1.00 0.00 C ATOM 1454 O ASN A 91 2.452 3.766 10.076 1.00 0.00 O ATOM 1455 CB ASN A 91 1.181 5.110 7.530 1.00 0.00 C ATOM 1456 CG ASN A 91 0.406 6.182 6.791 1.00 0.00 C ATOM 1457 OD1 ASN A 91 -0.768 6.428 7.076 1.00 0.00 O ATOM 1458 ND2 ASN A 91 1.044 6.800 5.813 1.00 0.00 N ATOM 0 H ASN A 91 1.755 6.503 9.607 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.415 4.654 8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.230 5.399 7.585 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.136 4.180 6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.565 7.511 5.261 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.016 6.566 5.610 1.00 0.00 H new ATOM 1465 N PRO A 92 0.725 2.477 9.430 1.00 0.00 N ATOM 1466 CA PRO A 92 1.325 1.222 9.881 1.00 0.00 C ATOM 1467 C PRO A 92 2.350 0.694 8.881 1.00 0.00 C ATOM 1468 O PRO A 92 3.130 -0.207 9.181 1.00 0.00 O ATOM 1469 CB PRO A 92 0.130 0.278 9.968 1.00 0.00 C ATOM 1470 CG PRO A 92 -0.841 0.790 8.960 1.00 0.00 C ATOM 1471 CD PRO A 92 -0.633 2.280 8.887 1.00 0.00 C ATOM 0 HA PRO A 92 1.866 1.332 10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.422 -0.749 9.749 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.302 0.280 10.969 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.672 0.326 7.988 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.864 0.555 9.252 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.710 2.644 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.379 2.817 9.473 1.00 0.00 H new ATOM 1479 N ALA A 93 2.336 1.271 7.687 1.00 0.00 N ATOM 1480 CA ALA A 93 3.249 0.874 6.625 1.00 0.00 C ATOM 1481 C ALA A 93 4.429 1.826 6.553 1.00 0.00 C ATOM 1482 O ALA A 93 5.258 1.733 5.646 1.00 0.00 O ATOM 1483 CB ALA A 93 2.520 0.831 5.288 1.00 0.00 C ATOM 0 H ALA A 93 1.696 2.022 7.429 1.00 0.00 H new ATOM 0 HA ALA A 93 3.625 -0.124 6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.216 0.533 4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.703 0.111 5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.119 1.819 5.061 1.00 0.00 H new ATOM 1489 N ARG A 94 4.502 2.732 7.520 1.00 0.00 N ATOM 1490 CA ARG A 94 5.567 3.722 7.559 1.00 0.00 C ATOM 1491 C ARG A 94 6.910 3.039 7.817 1.00 0.00 C ATOM 1492 O ARG A 94 7.855 3.206 7.046 1.00 0.00 O ATOM 1493 CB ARG A 94 5.298 4.760 8.653 1.00 0.00 C ATOM 1494 CG ARG A 94 6.139 6.019 8.520 1.00 0.00 C ATOM 1495 CD ARG A 94 5.547 6.986 7.507 1.00 0.00 C ATOM 1496 NE ARG A 94 4.421 7.739 8.070 1.00 0.00 N ATOM 1497 CZ ARG A 94 3.638 8.562 7.368 1.00 0.00 C ATOM 1498 NH1 ARG A 94 3.719 8.601 6.045 1.00 0.00 N ATOM 1499 NH2 ARG A 94 2.738 9.314 7.992 1.00 0.00 N ATOM 0 H ARG A 94 3.834 2.800 8.288 1.00 0.00 H new ATOM 0 HA ARG A 94 5.600 4.229 6.595 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.243 5.034 8.630 1.00 0.00 H new ATOM 0 HB3 ARG A 94 5.489 4.307 9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.215 6.510 9.490 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.151 5.750 8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.318 7.680 7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.213 6.434 6.629 1.00 0.00 H new ATOM 0 HE ARG A 94 4.223 7.626 9.064 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.383 8.000 5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.118 9.232 5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.646 9.262 9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.140 9.943 7.457 1.00 0.00 H new ATOM 1513 N TRP A 95 6.963 2.256 8.904 1.00 0.00 N ATOM 1514 CA TRP A 95 8.171 1.525 9.308 1.00 0.00 C ATOM 1515 C TRP A 95 9.292 2.461 9.753 1.00 0.00 C ATOM 1516 O TRP A 95 9.780 3.292 8.988 1.00 0.00 O ATOM 1517 CB TRP A 95 8.651 0.590 8.195 1.00 0.00 C ATOM 1518 CG TRP A 95 8.172 -0.812 8.383 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.587 -1.675 9.349 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.192 -1.515 7.610 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.936 -2.875 9.225 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.074 -2.803 8.165 1.00 0.00 C ATOM 1523 CE3 TRP A 95 6.407 -1.187 6.503 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 6.200 -3.758 7.655 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 5.538 -2.138 5.998 1.00 0.00 C ATOM 1526 CH2 TRP A 95 5.443 -3.411 6.575 1.00 0.00 C ATOM 0 H TRP A 95 6.169 2.112 9.528 1.00 0.00 H new ATOM 0 HA TRP A 95 7.897 0.918 10.171 1.00 0.00 H new ATOM 0 HB2 TRP A 95 8.301 0.965 7.233 1.00 0.00 H new ATOM 0 HB3 TRP A 95 9.740 0.598 8.163 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.324 -1.447 10.105 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.072 -3.689 9.825 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.477 -0.209 6.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.124 -4.740 8.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.923 -1.895 5.145 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.757 -4.132 6.156 1.00 0.00 H new ATOM 1537 N ARG A 96 9.714 2.298 11.003 1.00 0.00 N ATOM 1538 CA ARG A 96 10.748 3.138 11.586 1.00 0.00 C ATOM 1539 C ARG A 96 12.132 2.551 11.325 1.00 0.00 C ATOM 1540 O ARG A 96 13.132 3.021 11.873 1.00 0.00 O ATOM 1541 CB ARG A 96 10.508 3.290 13.091 1.00 0.00 C ATOM 1542 CG ARG A 96 10.571 1.983 13.867 1.00 0.00 C ATOM 1543 CD ARG A 96 10.177 2.187 15.320 1.00 0.00 C ATOM 1544 NE ARG A 96 10.305 0.960 16.108 1.00 0.00 N ATOM 1545 CZ ARG A 96 9.500 0.641 17.124 1.00 0.00 C ATOM 1546 NH1 ARG A 96 8.470 1.421 17.428 1.00 0.00 N ATOM 1547 NH2 ARG A 96 9.719 -0.464 17.829 1.00 0.00 N ATOM 0 H ARG A 96 9.350 1.584 11.635 1.00 0.00 H new ATOM 0 HA ARG A 96 10.703 4.121 11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.249 3.978 13.498 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.530 3.746 13.248 1.00 0.00 H new ATOM 0 HG2 ARG A 96 9.907 1.251 13.407 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.580 1.574 13.815 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.803 2.964 15.758 1.00 0.00 H new ATOM 0 HD3 ARG A 96 9.147 2.542 15.369 1.00 0.00 H new ATOM 0 HE ARG A 96 11.053 0.310 15.867 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.292 2.266 16.885 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.856 1.175 18.205 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.504 -1.071 17.594 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.102 -0.705 18.605 1.00 0.00 H new ATOM 1561 N GLY A 97 12.177 1.525 10.484 1.00 0.00 N ATOM 1562 CA GLY A 97 13.433 0.890 10.149 1.00 0.00 C ATOM 1563 C GLY A 97 13.257 -0.576 9.809 1.00 0.00 C ATOM 1564 O GLY A 97 13.412 -1.442 10.670 1.00 0.00 O ATOM 0 H GLY A 97 11.360 1.121 10.027 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.885 1.406 9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.123 0.987 10.987 1.00 0.00 H new ATOM 1568 N TYR A 98 12.923 -0.856 8.559 1.00 0.00 N ATOM 1569 CA TYR A 98 12.725 -2.225 8.112 1.00 0.00 C ATOM 1570 C TYR A 98 14.028 -2.801 7.570 1.00 0.00 C ATOM 1571 O TYR A 98 14.924 -2.050 7.173 1.00 0.00 O ATOM 1572 CB TYR A 98 11.611 -2.296 7.060 1.00 0.00 C ATOM 1573 CG TYR A 98 11.801 -1.385 5.865 1.00 0.00 C ATOM 1574 CD1 TYR A 98 11.431 -0.047 5.922 1.00 0.00 C ATOM 1575 CD2 TYR A 98 12.332 -1.866 4.678 1.00 0.00 C ATOM 1576 CE1 TYR A 98 11.590 0.785 4.833 1.00 0.00 C ATOM 1577 CE2 TYR A 98 12.491 -1.041 3.581 1.00 0.00 C ATOM 1578 CZ TYR A 98 12.118 0.285 3.664 1.00 0.00 C ATOM 1579 OH TYR A 98 12.267 1.110 2.572 1.00 0.00 O ATOM 0 H TYR A 98 12.783 -0.151 7.835 1.00 0.00 H new ATOM 0 HA TYR A 98 12.417 -2.828 8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 98 11.531 -3.324 6.706 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.663 -2.050 7.539 1.00 0.00 H new ATOM 0 HD1 TYR A 98 11.011 0.349 6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.626 -2.903 4.610 1.00 0.00 H new ATOM 0 HE1 TYR A 98 11.302 1.824 4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.905 -1.432 2.663 1.00 0.00 H new ATOM 0 HH TYR A 98 12.654 0.602 1.829 1.00 0.00 H new ATOM 1589 N LEU A 99 14.130 -4.133 7.571 1.00 0.00 N ATOM 1590 CA LEU A 99 15.341 -4.836 7.185 1.00 0.00 C ATOM 1591 C LEU A 99 16.526 -4.430 8.060 1.00 0.00 C ATOM 1592 O LEU A 99 17.684 -4.679 7.720 1.00 0.00 O ATOM 1593 CB LEU A 99 15.653 -4.576 5.724 1.00 0.00 C ATOM 1594 CG LEU A 99 14.548 -4.950 4.732 1.00 0.00 C ATOM 1595 CD1 LEU A 99 14.953 -4.564 3.319 1.00 0.00 C ATOM 1596 CD2 LEU A 99 14.236 -6.437 4.808 1.00 0.00 C ATOM 0 H LEU A 99 13.366 -4.751 7.843 1.00 0.00 H new ATOM 0 HA LEU A 99 15.170 -5.903 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 99 15.881 -3.517 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 99 16.555 -5.128 5.460 1.00 0.00 H new ATOM 0 HG LEU A 99 13.647 -4.398 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 99 14.157 -4.836 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 99 15.125 -3.489 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 99 15.868 -5.090 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.448 -6.680 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 99 15.132 -7.009 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 99 13.904 -6.688 5.815 1.00 0.00 H new ATOM 1608 N GLU A 100 16.214 -3.831 9.197 1.00 0.00 N ATOM 1609 CA GLU A 100 17.218 -3.322 10.120 1.00 0.00 C ATOM 1610 C GLU A 100 18.041 -4.464 10.711 1.00 0.00 C ATOM 1611 O GLU A 100 17.588 -5.612 10.736 1.00 0.00 O ATOM 1612 CB GLU A 100 16.528 -2.510 11.226 1.00 0.00 C ATOM 1613 CG GLU A 100 17.481 -1.842 12.205 1.00 0.00 C ATOM 1614 CD GLU A 100 18.585 -1.074 11.510 1.00 0.00 C ATOM 1615 OE1 GLU A 100 18.298 -0.039 10.881 1.00 0.00 O ATOM 1616 OE2 GLU A 100 19.750 -1.521 11.573 1.00 0.00 O ATOM 0 H GLU A 100 15.254 -3.683 9.508 1.00 0.00 H new ATOM 0 HA GLU A 100 17.904 -2.671 9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 100 15.907 -1.744 10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 100 15.860 -3.169 11.781 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.920 -1.163 12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 100 17.922 -2.600 12.852 1.00 0.00 H new ATOM 1623 N HIS A 101 19.256 -4.133 11.154 1.00 0.00 N ATOM 1624 CA HIS A 101 20.194 -5.089 11.748 1.00 0.00 C ATOM 1625 C HIS A 101 20.833 -5.978 10.682 1.00 0.00 C ATOM 1626 O HIS A 101 22.041 -6.215 10.709 1.00 0.00 O ATOM 1627 CB HIS A 101 19.502 -5.934 12.828 1.00 0.00 C ATOM 1628 CG HIS A 101 20.422 -6.849 13.576 1.00 0.00 C ATOM 1629 ND1 HIS A 101 20.200 -8.200 13.697 1.00 0.00 N ATOM 1630 CD2 HIS A 101 21.553 -6.592 14.270 1.00 0.00 C ATOM 1631 CE1 HIS A 101 21.154 -8.736 14.433 1.00 0.00 C ATOM 1632 NE2 HIS A 101 21.990 -7.781 14.794 1.00 0.00 N ATOM 0 H HIS A 101 19.621 -3.182 11.110 1.00 0.00 H new ATOM 0 HA HIS A 101 20.993 -4.520 12.223 1.00 0.00 H new ATOM 0 HB2 HIS A 101 19.015 -5.266 13.539 1.00 0.00 H new ATOM 0 HB3 HIS A 101 18.717 -6.529 12.360 1.00 0.00 H new ATOM 0 HD2 HIS A 101 22.025 -5.628 14.390 1.00 0.00 H new ATOM 0 HE1 HIS A 101 21.237 -9.780 14.696 1.00 0.00 H new ATOM 0 HE2 HIS A 101 22.824 -7.907 15.368 1.00 0.00 H new ATOM 1641 N HIS A 102 20.027 -6.450 9.743 1.00 0.00 N ATOM 1642 CA HIS A 102 20.511 -7.339 8.697 1.00 0.00 C ATOM 1643 C HIS A 102 21.046 -6.544 7.505 1.00 0.00 C ATOM 1644 O HIS A 102 22.109 -6.861 6.969 1.00 0.00 O ATOM 1645 CB HIS A 102 19.395 -8.290 8.246 1.00 0.00 C ATOM 1646 CG HIS A 102 19.857 -9.364 7.307 1.00 0.00 C ATOM 1647 ND1 HIS A 102 19.478 -9.423 5.984 1.00 0.00 N ATOM 1648 CD2 HIS A 102 20.666 -10.430 7.511 1.00 0.00 C ATOM 1649 CE1 HIS A 102 20.034 -10.477 5.414 1.00 0.00 C ATOM 1650 NE2 HIS A 102 20.761 -11.104 6.320 1.00 0.00 N ATOM 0 H HIS A 102 19.032 -6.232 9.684 1.00 0.00 H new ATOM 0 HA HIS A 102 21.331 -7.929 9.107 1.00 0.00 H new ATOM 0 HB2 HIS A 102 18.950 -8.756 9.125 1.00 0.00 H new ATOM 0 HB3 HIS A 102 18.610 -7.710 7.761 1.00 0.00 H new ATOM 0 HD2 HIS A 102 21.147 -10.700 8.439 1.00 0.00 H new ATOM 0 HE1 HIS A 102 19.914 -10.775 4.383 1.00 0.00 H new ATOM 0 HE2 HIS A 102 21.305 -11.952 6.160 1.00 0.00 H new ATOM 1659 N HIS A 103 20.312 -5.516 7.088 1.00 0.00 N ATOM 1660 CA HIS A 103 20.725 -4.709 5.942 1.00 0.00 C ATOM 1661 C HIS A 103 20.305 -3.247 6.108 1.00 0.00 C ATOM 1662 O HIS A 103 21.138 -2.392 6.406 1.00 0.00 O ATOM 1663 CB HIS A 103 20.145 -5.292 4.641 1.00 0.00 C ATOM 1664 CG HIS A 103 20.586 -4.579 3.391 1.00 0.00 C ATOM 1665 ND1 HIS A 103 21.802 -4.799 2.779 1.00 0.00 N ATOM 1666 CD2 HIS A 103 19.954 -3.648 2.635 1.00 0.00 C ATOM 1667 CE1 HIS A 103 21.898 -4.035 1.704 1.00 0.00 C ATOM 1668 NE2 HIS A 103 20.790 -3.328 1.596 1.00 0.00 N ATOM 0 H HIS A 103 19.436 -5.223 7.521 1.00 0.00 H new ATOM 0 HA HIS A 103 21.813 -4.737 5.887 1.00 0.00 H new ATOM 0 HB2 HIS A 103 20.432 -6.341 4.567 1.00 0.00 H new ATOM 0 HB3 HIS A 103 19.057 -5.263 4.697 1.00 0.00 H new ATOM 0 HD2 HIS A 103 18.973 -3.235 2.817 1.00 0.00 H new ATOM 0 HE1 HIS A 103 22.740 -3.997 1.029 1.00 0.00 H new ATOM 0 HE2 HIS A 103 20.588 -2.653 0.859 1.00 0.00 H new ATOM 1677 N HIS A 104 19.007 -2.985 5.944 1.00 0.00 N ATOM 1678 CA HIS A 104 18.466 -1.623 5.910 1.00 0.00 C ATOM 1679 C HIS A 104 19.116 -0.827 4.773 1.00 0.00 C ATOM 1680 O HIS A 104 18.692 -0.938 3.625 1.00 0.00 O ATOM 1681 CB HIS A 104 18.651 -0.910 7.264 1.00 0.00 C ATOM 1682 CG HIS A 104 17.891 0.385 7.406 1.00 0.00 C ATOM 1683 ND1 HIS A 104 17.532 0.908 8.627 1.00 0.00 N ATOM 1684 CD2 HIS A 104 17.442 1.268 6.481 1.00 0.00 C ATOM 1685 CE1 HIS A 104 16.897 2.049 8.449 1.00 0.00 C ATOM 1686 NE2 HIS A 104 16.828 2.293 7.156 1.00 0.00 N ATOM 0 H HIS A 104 18.300 -3.711 5.831 1.00 0.00 H new ATOM 0 HA HIS A 104 17.394 -1.685 5.722 1.00 0.00 H new ATOM 0 HB2 HIS A 104 18.340 -1.586 8.060 1.00 0.00 H new ATOM 0 HB3 HIS A 104 19.712 -0.710 7.411 1.00 0.00 H new ATOM 0 HD1 HIS A 104 17.727 0.478 9.531 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.548 1.181 5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 104 16.500 2.678 9.232 1.00 0.00 H new ATOM 1695 N HIS A 105 20.164 -0.067 5.104 1.00 0.00 N ATOM 1696 CA HIS A 105 20.891 0.770 4.146 1.00 0.00 C ATOM 1697 C HIS A 105 21.847 1.684 4.910 1.00 0.00 C ATOM 1698 O HIS A 105 22.975 1.294 5.207 1.00 0.00 O ATOM 1699 CB HIS A 105 19.932 1.607 3.280 1.00 0.00 C ATOM 1700 CG HIS A 105 20.609 2.488 2.269 1.00 0.00 C ATOM 1701 ND1 HIS A 105 20.326 3.830 2.142 1.00 0.00 N ATOM 1702 CD2 HIS A 105 21.550 2.214 1.334 1.00 0.00 C ATOM 1703 CE1 HIS A 105 21.061 4.343 1.174 1.00 0.00 C ATOM 1704 NE2 HIS A 105 21.814 3.386 0.669 1.00 0.00 N ATOM 0 H HIS A 105 20.535 -0.015 6.053 1.00 0.00 H new ATOM 0 HA HIS A 105 21.452 0.121 3.473 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.253 0.933 2.758 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.322 2.230 3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 105 22.007 1.254 1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 105 21.048 5.373 0.850 1.00 0.00 H new ATOM 0 HE2 HIS A 105 22.484 3.498 -0.092 1.00 0.00 H new ATOM 1713 N HIS A 106 21.365 2.874 5.263 1.00 0.00 N ATOM 1714 CA HIS A 106 22.141 3.847 6.026 1.00 0.00 C ATOM 1715 C HIS A 106 21.320 5.124 6.170 1.00 0.00 C ATOM 1716 O HIS A 106 21.756 6.180 5.677 1.00 0.00 O ATOM 1717 CB HIS A 106 23.478 4.159 5.335 1.00 0.00 C ATOM 1718 CG HIS A 106 24.453 4.898 6.204 1.00 0.00 C ATOM 1719 ND1 HIS A 106 24.726 6.239 6.059 1.00 0.00 N ATOM 1720 CD2 HIS A 106 25.233 4.468 7.223 1.00 0.00 C ATOM 1721 CE1 HIS A 106 25.630 6.602 6.948 1.00 0.00 C ATOM 1722 NE2 HIS A 106 25.954 5.547 7.671 1.00 0.00 N ATOM 1723 OXT HIS A 106 20.205 5.048 6.724 1.00 0.00 O ATOM 0 H HIS A 106 20.424 3.190 5.027 1.00 0.00 H new ATOM 0 HA HIS A 106 22.365 3.429 7.007 1.00 0.00 H new ATOM 0 HB2 HIS A 106 23.934 3.224 5.008 1.00 0.00 H new ATOM 0 HB3 HIS A 106 23.284 4.750 4.440 1.00 0.00 H new ATOM 0 HD2 HIS A 106 25.280 3.462 7.612 1.00 0.00 H new ATOM 0 HE1 HIS A 106 26.037 7.596 7.065 1.00 0.00 H new ATOM 0 HE2 HIS A 106 26.628 5.535 8.436 1.00 0.00 H new TER 1732 HIS A 106