USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -30:sc= 0.734 USER MOD Single : A 9 SER OG : rot -29:sc= -0.12 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.678 X(o=-0.68,f=-0.46) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 90:sc= 0.234 USER MOD Single : A 32 HIS : no HE2:sc= 1.01 K(o=1,f=-3.4!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.127 USER MOD Single : A 39 GLN : amide:sc= -1.77 K(o=-1.8,f=-3.9!) USER MOD Single : A 44 MET CE :methyl 140:sc= -5.55! (180deg=-8.39!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0407 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.26! C(o=-2.3!,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ -142:sc= -2.91 (180deg=-4.61!) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= -0.504 (180deg=-0.603) USER MOD Single : A 63 LYS NZ :NH3+ 128:sc= -0.15 (180deg=-0.711) USER MOD ----------------------------------------------------------------- ATOM 39 N LYS A 3 -0.047 -5.732 -1.159 1.00 64.21 N ATOM 40 CA LYS A 3 -0.990 -6.643 -0.523 1.00 34.42 C ATOM 41 C LYS A 3 -0.261 -7.659 0.351 1.00 13.01 C ATOM 42 O LYS A 3 0.512 -8.478 -0.147 1.00 3.35 O ATOM 43 CB LYS A 3 -1.822 -7.370 -1.582 1.00 34.21 C ATOM 44 CG LYS A 3 -3.000 -8.140 -1.008 1.00 45.30 C ATOM 45 CD LYS A 3 -3.898 -8.684 -2.106 1.00 33.03 C ATOM 46 CE LYS A 3 -4.698 -7.575 -2.772 1.00 72.22 C ATOM 47 NZ LYS A 3 -5.707 -8.115 -3.725 1.00 61.04 N ATOM 0 HA LYS A 3 -1.653 -6.054 0.111 1.00 34.42 H new ATOM 0 HB2 LYS A 3 -2.192 -6.642 -2.304 1.00 34.21 H new ATOM 0 HB3 LYS A 3 -1.178 -8.061 -2.127 1.00 34.21 H new ATOM 0 HG2 LYS A 3 -2.634 -8.963 -0.395 1.00 45.30 H new ATOM 0 HG3 LYS A 3 -3.578 -7.488 -0.353 1.00 45.30 H new ATOM 0 HD2 LYS A 3 -3.292 -9.196 -2.853 1.00 33.03 H new ATOM 0 HD3 LYS A 3 -4.579 -9.424 -1.687 1.00 33.03 H new ATOM 0 HE2 LYS A 3 -5.201 -6.981 -2.009 1.00 72.22 H new ATOM 0 HE3 LYS A 3 -4.020 -6.906 -3.301 1.00 72.22 H new ATOM 0 HZ1 LYS A 3 -6.231 -7.328 -4.158 1.00 61.04 H new ATOM 0 HZ2 LYS A 3 -5.226 -8.661 -4.468 1.00 61.04 H new ATOM 0 HZ3 LYS A 3 -6.370 -8.734 -3.215 1.00 61.04 H new ATOM 61 N ILE A 4 -0.514 -7.601 1.654 1.00 1.23 N ATOM 62 CA ILE A 4 0.117 -8.517 2.596 1.00 72.42 C ATOM 63 C ILE A 4 -0.332 -9.954 2.349 1.00 13.35 C ATOM 64 O ILE A 4 -1.418 -10.356 2.767 1.00 14.11 O ATOM 65 CB ILE A 4 -0.202 -8.135 4.053 1.00 4.33 C ATOM 66 CG1 ILE A 4 0.139 -6.664 4.304 1.00 64.35 C ATOM 67 CG2 ILE A 4 0.562 -9.032 5.016 1.00 72.45 C ATOM 68 CD1 ILE A 4 1.604 -6.342 4.108 1.00 42.15 C ATOM 0 H ILE A 4 -1.152 -6.929 2.081 1.00 1.23 H new ATOM 0 HA ILE A 4 1.193 -8.442 2.437 1.00 72.42 H new ATOM 0 HB ILE A 4 -1.269 -8.276 4.224 1.00 4.33 H new ATOM 0 HG12 ILE A 4 -0.454 -6.042 3.634 1.00 64.35 H new ATOM 0 HG13 ILE A 4 -0.150 -6.401 5.322 1.00 64.35 H new ATOM 0 HG21 ILE A 4 0.326 -8.749 6.042 1.00 72.45 H new ATOM 0 HG22 ILE A 4 0.276 -10.071 4.851 1.00 72.45 H new ATOM 0 HG23 ILE A 4 1.633 -8.920 4.846 1.00 72.45 H new ATOM 0 HD11 ILE A 4 1.773 -5.283 4.303 1.00 42.15 H new ATOM 0 HD12 ILE A 4 2.203 -6.938 4.797 1.00 42.15 H new ATOM 0 HD13 ILE A 4 1.893 -6.573 3.083 1.00 42.15 H new ATOM 80 N TYR A 5 0.511 -10.723 1.670 1.00 22.03 N ATOM 81 CA TYR A 5 0.201 -12.115 1.368 1.00 62.24 C ATOM 82 C TYR A 5 0.695 -13.037 2.478 1.00 32.23 C ATOM 83 O TYR A 5 1.559 -12.680 3.279 1.00 44.03 O ATOM 84 CB TYR A 5 0.832 -12.522 0.034 1.00 15.44 C ATOM 85 CG TYR A 5 -0.046 -12.234 -1.163 1.00 2.31 C ATOM 86 CD1 TYR A 5 -1.359 -12.686 -1.212 1.00 44.01 C ATOM 87 CD2 TYR A 5 0.438 -11.508 -2.245 1.00 21.32 C ATOM 88 CE1 TYR A 5 -2.163 -12.426 -2.304 1.00 52.24 C ATOM 89 CE2 TYR A 5 -0.360 -11.242 -3.341 1.00 20.14 C ATOM 90 CZ TYR A 5 -1.660 -11.703 -3.366 1.00 24.41 C ATOM 91 OH TYR A 5 -2.458 -11.441 -4.455 1.00 54.12 O ATOM 0 H TYR A 5 1.414 -10.406 1.318 1.00 22.03 H new ATOM 0 HA TYR A 5 -0.882 -12.212 1.295 1.00 62.24 H new ATOM 0 HB2 TYR A 5 1.779 -11.996 -0.086 1.00 15.44 H new ATOM 0 HB3 TYR A 5 1.060 -13.588 0.059 1.00 15.44 H new ATOM 0 HD1 TYR A 5 -1.757 -13.250 -0.382 1.00 44.01 H new ATOM 0 HD2 TYR A 5 1.455 -11.146 -2.229 1.00 21.32 H new ATOM 0 HE1 TYR A 5 -3.181 -12.787 -2.327 1.00 52.24 H new ATOM 0 HE2 TYR A 5 0.032 -10.676 -4.173 1.00 20.14 H new ATOM 0 HH TYR A 5 -1.952 -10.921 -5.114 1.00 54.12 H new ATOM 101 N PRO A 6 0.133 -14.254 2.529 1.00 70.20 N ATOM 102 CA PRO A 6 0.500 -15.254 3.536 1.00 63.42 C ATOM 103 C PRO A 6 1.906 -15.805 3.320 1.00 11.32 C ATOM 104 O PRO A 6 2.286 -16.140 2.198 1.00 24.23 O ATOM 105 CB PRO A 6 -0.542 -16.357 3.337 1.00 72.43 C ATOM 106 CG PRO A 6 -0.976 -16.217 1.919 1.00 54.24 C ATOM 107 CD PRO A 6 -0.904 -14.748 1.607 1.00 43.40 C ATOM 0 HA PRO A 6 0.510 -14.834 4.542 1.00 63.42 H new ATOM 0 HB2 PRO A 6 -0.116 -17.343 3.525 1.00 72.43 H new ATOM 0 HB3 PRO A 6 -1.382 -16.237 4.022 1.00 72.43 H new ATOM 0 HG2 PRO A 6 -0.329 -16.789 1.254 1.00 54.24 H new ATOM 0 HG3 PRO A 6 -1.989 -16.596 1.782 1.00 54.24 H new ATOM 0 HD2 PRO A 6 -0.634 -14.571 0.566 1.00 43.40 H new ATOM 0 HD3 PRO A 6 -1.861 -14.254 1.776 1.00 43.40 H new ATOM 115 N TYR A 7 2.673 -15.895 4.401 1.00 72.30 N ATOM 116 CA TYR A 7 4.038 -16.403 4.329 1.00 34.54 C ATOM 117 C TYR A 7 4.047 -17.900 4.033 1.00 32.13 C ATOM 118 O TYR A 7 4.962 -18.411 3.387 1.00 10.14 O ATOM 119 CB TYR A 7 4.776 -16.127 5.640 1.00 45.12 C ATOM 120 CG TYR A 7 6.125 -16.805 5.729 1.00 2.41 C ATOM 121 CD1 TYR A 7 7.230 -16.287 5.063 1.00 74.40 C ATOM 122 CD2 TYR A 7 6.295 -17.962 6.478 1.00 21.14 C ATOM 123 CE1 TYR A 7 8.464 -16.903 5.141 1.00 72.41 C ATOM 124 CE2 TYR A 7 7.526 -18.584 6.563 1.00 13.12 C ATOM 125 CZ TYR A 7 8.607 -18.051 5.893 1.00 52.13 C ATOM 126 OH TYR A 7 9.834 -18.668 5.974 1.00 61.25 O ATOM 0 H TYR A 7 2.373 -15.623 5.337 1.00 72.30 H new ATOM 0 HA TYR A 7 4.549 -15.887 3.516 1.00 34.54 H new ATOM 0 HB2 TYR A 7 4.911 -15.051 5.752 1.00 45.12 H new ATOM 0 HB3 TYR A 7 4.156 -16.459 6.473 1.00 45.12 H new ATOM 0 HD1 TYR A 7 7.122 -15.388 4.475 1.00 74.40 H new ATOM 0 HD2 TYR A 7 5.450 -18.383 7.003 1.00 21.14 H new ATOM 0 HE1 TYR A 7 9.312 -16.488 4.616 1.00 72.41 H new ATOM 0 HE2 TYR A 7 7.641 -19.483 7.151 1.00 13.12 H new ATOM 0 HH TYR A 7 10.335 -18.510 5.147 1.00 61.25 H new ATOM 136 N ASP A 8 3.021 -18.597 4.510 1.00 2.11 N ATOM 137 CA ASP A 8 2.908 -20.035 4.296 1.00 25.11 C ATOM 138 C ASP A 8 2.693 -20.349 2.819 1.00 62.41 C ATOM 139 O ASP A 8 3.139 -21.384 2.323 1.00 44.23 O ATOM 140 CB ASP A 8 1.757 -20.607 5.125 1.00 4.10 C ATOM 141 CG ASP A 8 0.494 -19.776 5.012 1.00 61.41 C ATOM 142 OD1 ASP A 8 -0.202 -19.892 3.982 1.00 73.35 O ATOM 143 OD2 ASP A 8 0.201 -19.011 5.954 1.00 23.11 O ATOM 0 H ASP A 8 2.256 -18.189 5.047 1.00 2.11 H new ATOM 0 HA ASP A 8 3.841 -20.499 4.616 1.00 25.11 H new ATOM 0 HB2 ASP A 8 1.549 -21.626 4.798 1.00 4.10 H new ATOM 0 HB3 ASP A 8 2.059 -20.663 6.171 1.00 4.10 H new ATOM 148 N SER A 9 2.006 -19.450 2.122 1.00 74.41 N ATOM 149 CA SER A 9 1.727 -19.634 0.702 1.00 34.15 C ATOM 150 C SER A 9 2.770 -18.922 -0.153 1.00 1.11 C ATOM 151 O SER A 9 2.980 -19.271 -1.315 1.00 40.55 O ATOM 152 CB SER A 9 0.330 -19.111 0.364 1.00 55.33 C ATOM 153 OG SER A 9 -0.499 -19.089 1.513 1.00 74.01 O ATOM 0 H SER A 9 1.632 -18.587 2.517 1.00 74.41 H new ATOM 0 HA SER A 9 1.771 -20.701 0.483 1.00 34.15 H new ATOM 0 HB2 SER A 9 0.405 -18.107 -0.053 1.00 55.33 H new ATOM 0 HB3 SER A 9 -0.122 -19.741 -0.402 1.00 55.33 H new ATOM 0 HG SER A 9 -0.219 -19.795 2.132 1.00 74.01 H new ATOM 159 N LEU A 10 3.422 -17.922 0.431 1.00 75.03 N ATOM 160 CA LEU A 10 4.444 -17.159 -0.277 1.00 21.04 C ATOM 161 C LEU A 10 5.746 -17.948 -0.368 1.00 5.23 C ATOM 162 O LEU A 10 6.444 -17.898 -1.381 1.00 40.12 O ATOM 163 CB LEU A 10 4.691 -15.824 0.428 1.00 23.25 C ATOM 164 CG LEU A 10 3.888 -14.631 -0.092 1.00 24.40 C ATOM 165 CD1 LEU A 10 4.189 -13.387 0.729 1.00 54.11 C ATOM 166 CD2 LEU A 10 4.189 -14.387 -1.564 1.00 22.44 C ATOM 0 H LEU A 10 3.261 -17.621 1.392 1.00 75.03 H new ATOM 0 HA LEU A 10 4.085 -16.968 -1.288 1.00 21.04 H new ATOM 0 HB2 LEU A 10 4.471 -15.950 1.488 1.00 23.25 H new ATOM 0 HB3 LEU A 10 5.751 -15.585 0.349 1.00 23.25 H new ATOM 0 HG LEU A 10 2.827 -14.859 0.008 1.00 24.40 H new ATOM 0 HD11 LEU A 10 3.609 -12.548 0.345 1.00 54.11 H new ATOM 0 HD12 LEU A 10 3.923 -13.565 1.771 1.00 54.11 H new ATOM 0 HD13 LEU A 10 5.252 -13.154 0.661 1.00 54.11 H new ATOM 0 HD21 LEU A 10 3.609 -13.535 -1.918 1.00 22.44 H new ATOM 0 HD22 LEU A 10 5.252 -14.180 -1.689 1.00 22.44 H new ATOM 0 HD23 LEU A 10 3.922 -15.272 -2.142 1.00 22.44 H new ATOM 178 N ILE A 11 6.067 -18.676 0.696 1.00 34.34 N ATOM 179 CA ILE A 11 7.283 -19.478 0.735 1.00 61.23 C ATOM 180 C ILE A 11 7.389 -20.375 -0.494 1.00 63.00 C ATOM 181 O ILE A 11 6.483 -21.155 -0.787 1.00 20.22 O ATOM 182 CB ILE A 11 7.341 -20.353 2.001 1.00 3.32 C ATOM 183 CG1 ILE A 11 6.026 -21.113 2.183 1.00 10.35 C ATOM 184 CG2 ILE A 11 7.638 -19.496 3.223 1.00 22.20 C ATOM 185 CD1 ILE A 11 6.009 -22.007 3.403 1.00 31.03 C ATOM 0 H ILE A 11 5.501 -18.727 1.543 1.00 34.34 H new ATOM 0 HA ILE A 11 8.120 -18.780 0.747 1.00 61.23 H new ATOM 0 HB ILE A 11 8.145 -21.080 1.887 1.00 3.32 H new ATOM 0 HG12 ILE A 11 5.208 -20.396 2.257 1.00 10.35 H new ATOM 0 HG13 ILE A 11 5.840 -21.719 1.296 1.00 10.35 H new ATOM 0 HG21 ILE A 11 7.676 -20.128 4.110 1.00 22.20 H new ATOM 0 HG22 ILE A 11 8.598 -18.996 3.092 1.00 22.20 H new ATOM 0 HG23 ILE A 11 6.853 -18.749 3.343 1.00 22.20 H new ATOM 0 HD11 ILE A 11 5.047 -22.514 3.469 1.00 31.03 H new ATOM 0 HD12 ILE A 11 6.805 -22.747 3.323 1.00 31.03 H new ATOM 0 HD13 ILE A 11 6.163 -21.404 4.298 1.00 31.03 H new ATOM 197 N VAL A 12 8.504 -20.260 -1.210 1.00 14.25 N ATOM 198 CA VAL A 12 8.731 -21.062 -2.406 1.00 34.14 C ATOM 199 C VAL A 12 8.730 -22.551 -2.077 1.00 2.21 C ATOM 200 O VAL A 12 8.481 -23.390 -2.943 1.00 53.22 O ATOM 201 CB VAL A 12 10.066 -20.697 -3.081 1.00 73.23 C ATOM 202 CG1 VAL A 12 10.184 -19.190 -3.250 1.00 63.25 C ATOM 203 CG2 VAL A 12 11.236 -21.246 -2.279 1.00 11.42 C ATOM 0 H VAL A 12 9.264 -19.619 -0.982 1.00 14.25 H new ATOM 0 HA VAL A 12 7.914 -20.844 -3.094 1.00 34.14 H new ATOM 0 HB VAL A 12 10.089 -21.152 -4.071 1.00 73.23 H new ATOM 0 HG11 VAL A 12 11.134 -18.951 -3.729 1.00 63.25 H new ATOM 0 HG12 VAL A 12 9.364 -18.828 -3.870 1.00 63.25 H new ATOM 0 HG13 VAL A 12 10.139 -18.710 -2.273 1.00 63.25 H new ATOM 0 HG21 VAL A 12 12.171 -20.979 -2.771 1.00 11.42 H new ATOM 0 HG22 VAL A 12 11.220 -20.822 -1.275 1.00 11.42 H new ATOM 0 HG23 VAL A 12 11.157 -22.331 -2.216 1.00 11.42 H new ATOM 213 N THR A 13 9.011 -22.874 -0.818 1.00 40.51 N ATOM 214 CA THR A 13 9.044 -24.261 -0.374 1.00 31.20 C ATOM 215 C THR A 13 7.698 -24.942 -0.596 1.00 40.33 C ATOM 216 O THR A 13 7.614 -26.168 -0.652 1.00 53.33 O ATOM 217 CB THR A 13 9.419 -24.365 1.116 1.00 30.34 C ATOM 218 OG1 THR A 13 9.491 -25.741 1.508 1.00 3.34 O ATOM 219 CG2 THR A 13 8.401 -23.639 1.983 1.00 42.34 C ATOM 0 H THR A 13 9.219 -22.193 -0.088 1.00 40.51 H new ATOM 0 HA THR A 13 9.806 -24.765 -0.969 1.00 31.20 H new ATOM 0 HB THR A 13 10.393 -23.895 1.256 1.00 30.34 H new ATOM 0 HG1 THR A 13 9.731 -25.799 2.456 1.00 3.34 H new ATOM 0 HG21 THR A 13 8.687 -23.727 3.031 1.00 42.34 H new ATOM 0 HG22 THR A 13 8.369 -22.586 1.702 1.00 42.34 H new ATOM 0 HG23 THR A 13 7.416 -24.083 1.838 1.00 42.34 H new ATOM 227 N ASN A 14 6.647 -24.138 -0.723 1.00 44.41 N ATOM 228 CA ASN A 14 5.304 -24.663 -0.940 1.00 24.32 C ATOM 229 C ASN A 14 4.933 -24.614 -2.419 1.00 12.33 C ATOM 230 O ASN A 14 3.779 -24.834 -2.787 1.00 12.51 O ATOM 231 CB ASN A 14 4.285 -23.870 -0.119 1.00 42.05 C ATOM 232 CG ASN A 14 3.829 -24.620 1.118 1.00 44.45 C ATOM 233 OD1 ASN A 14 4.569 -24.734 2.095 1.00 71.50 O ATOM 234 ND2 ASN A 14 2.606 -25.134 1.080 1.00 72.32 N ATOM 0 H ASN A 14 6.700 -23.120 -0.679 1.00 44.41 H new ATOM 0 HA ASN A 14 5.290 -25.703 -0.615 1.00 24.32 H new ATOM 0 HB2 ASN A 14 4.724 -22.918 0.178 1.00 42.05 H new ATOM 0 HB3 ASN A 14 3.420 -23.642 -0.741 1.00 42.05 H new ATOM 0 HD21 ASN A 14 2.244 -25.649 1.883 1.00 72.32 H new ATOM 0 HD22 ASN A 14 2.028 -25.014 0.248 1.00 72.32 H new ATOM 241 N ARG A 15 5.919 -24.324 -3.261 1.00 52.15 N ATOM 242 CA ARG A 15 5.696 -24.245 -4.700 1.00 53.10 C ATOM 243 C ARG A 15 5.007 -25.506 -5.213 1.00 52.15 C ATOM 244 O ARG A 15 4.270 -25.465 -6.199 1.00 14.40 O ATOM 245 CB ARG A 15 7.023 -24.042 -5.433 1.00 50.50 C ATOM 246 CG ARG A 15 7.364 -22.581 -5.682 1.00 32.41 C ATOM 247 CD ARG A 15 8.845 -22.397 -5.971 1.00 3.54 C ATOM 248 NE ARG A 15 9.177 -22.716 -7.356 1.00 70.05 N ATOM 249 CZ ARG A 15 9.531 -23.929 -7.767 1.00 1.15 C ATOM 250 NH1 ARG A 15 9.599 -24.931 -6.901 1.00 73.34 N ATOM 251 NH2 ARG A 15 9.818 -24.141 -9.045 1.00 30.04 N ATOM 0 H ARG A 15 6.880 -24.140 -2.972 1.00 52.15 H new ATOM 0 HA ARG A 15 5.047 -23.392 -4.895 1.00 53.10 H new ATOM 0 HB2 ARG A 15 7.823 -24.499 -4.851 1.00 50.50 H new ATOM 0 HB3 ARG A 15 6.984 -24.565 -6.388 1.00 50.50 H new ATOM 0 HG2 ARG A 15 6.779 -22.208 -6.522 1.00 32.41 H new ATOM 0 HG3 ARG A 15 7.085 -21.988 -4.811 1.00 32.41 H new ATOM 0 HD2 ARG A 15 9.130 -21.367 -5.758 1.00 3.54 H new ATOM 0 HD3 ARG A 15 9.426 -23.033 -5.303 1.00 3.54 H new ATOM 0 HE ARG A 15 9.135 -21.966 -8.047 1.00 70.05 H new ATOM 0 HH11 ARG A 15 9.379 -24.771 -5.918 1.00 73.34 H new ATOM 0 HH12 ARG A 15 9.871 -25.862 -7.218 1.00 73.34 H new ATOM 0 HH21 ARG A 15 9.767 -23.372 -9.713 1.00 30.04 H new ATOM 0 HH22 ARG A 15 10.090 -25.073 -9.359 1.00 30.04 H new ATOM 265 N ILE A 16 5.253 -26.624 -4.539 1.00 74.35 N ATOM 266 CA ILE A 16 4.656 -27.896 -4.927 1.00 74.23 C ATOM 267 C ILE A 16 3.172 -27.936 -4.579 1.00 55.33 C ATOM 268 O ILE A 16 2.367 -28.515 -5.310 1.00 25.02 O ATOM 269 CB ILE A 16 5.363 -29.082 -4.245 1.00 2.43 C ATOM 270 CG1 ILE A 16 4.745 -30.405 -4.702 1.00 3.41 C ATOM 271 CG2 ILE A 16 5.281 -28.947 -2.731 1.00 61.35 C ATOM 272 CD1 ILE A 16 4.822 -30.623 -6.197 1.00 2.33 C ATOM 0 H ILE A 16 5.861 -26.675 -3.722 1.00 74.35 H new ATOM 0 HA ILE A 16 4.777 -27.984 -6.007 1.00 74.23 H new ATOM 0 HB ILE A 16 6.414 -29.075 -4.535 1.00 2.43 H new ATOM 0 HG12 ILE A 16 5.252 -31.227 -4.196 1.00 3.41 H new ATOM 0 HG13 ILE A 16 3.701 -30.435 -4.392 1.00 3.41 H new ATOM 0 HG21 ILE A 16 5.785 -29.792 -2.263 1.00 61.35 H new ATOM 0 HG22 ILE A 16 5.764 -28.020 -2.422 1.00 61.35 H new ATOM 0 HG23 ILE A 16 4.235 -28.932 -2.423 1.00 61.35 H new ATOM 0 HD11 ILE A 16 4.365 -31.580 -6.449 1.00 2.33 H new ATOM 0 HD12 ILE A 16 4.291 -29.821 -6.709 1.00 2.33 H new ATOM 0 HD13 ILE A 16 5.866 -30.625 -6.511 1.00 2.33 H new ATOM 284 N ARG A 17 2.815 -27.314 -3.460 1.00 21.31 N ATOM 285 CA ARG A 17 1.427 -27.278 -3.015 1.00 42.20 C ATOM 286 C ARG A 17 0.640 -26.214 -3.775 1.00 45.10 C ATOM 287 O ARG A 17 -0.505 -26.436 -4.168 1.00 62.11 O ATOM 288 CB ARG A 17 1.358 -27.002 -1.512 1.00 2.31 C ATOM 289 CG ARG A 17 2.383 -27.780 -0.702 1.00 54.22 C ATOM 290 CD ARG A 17 2.298 -29.272 -0.983 1.00 41.13 C ATOM 291 NE ARG A 17 0.978 -29.814 -0.671 1.00 43.22 N ATOM 292 CZ ARG A 17 0.569 -30.087 0.563 1.00 50.14 C ATOM 293 NH1 ARG A 17 1.372 -29.869 1.595 1.00 64.44 N ATOM 294 NH2 ARG A 17 -0.647 -30.578 0.766 1.00 23.21 N ATOM 0 H ARG A 17 3.468 -26.828 -2.845 1.00 21.31 H new ATOM 0 HA ARG A 17 0.981 -28.251 -3.220 1.00 42.20 H new ATOM 0 HB2 ARG A 17 1.505 -25.936 -1.340 1.00 2.31 H new ATOM 0 HB3 ARG A 17 0.359 -27.249 -1.151 1.00 2.31 H new ATOM 0 HG2 ARG A 17 3.384 -27.420 -0.939 1.00 54.22 H new ATOM 0 HG3 ARG A 17 2.222 -27.599 0.361 1.00 54.22 H new ATOM 0 HD2 ARG A 17 2.527 -29.457 -2.033 1.00 41.13 H new ATOM 0 HD3 ARG A 17 3.053 -29.795 -0.396 1.00 41.13 H new ATOM 0 HE ARG A 17 0.335 -29.993 -1.443 1.00 43.22 H new ATOM 0 HH11 ARG A 17 2.307 -29.491 1.443 1.00 64.44 H new ATOM 0 HH12 ARG A 17 1.055 -30.080 2.541 1.00 64.44 H new ATOM 0 HH21 ARG A 17 -1.268 -30.746 -0.026 1.00 23.21 H new ATOM 0 HH22 ARG A 17 -0.961 -30.788 1.714 1.00 23.21 H new ATOM 308 N VAL A 18 1.263 -25.057 -3.978 1.00 60.11 N ATOM 309 CA VAL A 18 0.622 -23.959 -4.691 1.00 50.22 C ATOM 310 C VAL A 18 1.650 -22.940 -5.170 1.00 62.22 C ATOM 311 O VAL A 18 2.738 -22.826 -4.605 1.00 12.24 O ATOM 312 CB VAL A 18 -0.417 -23.245 -3.806 1.00 32.51 C ATOM 313 CG1 VAL A 18 0.271 -22.475 -2.690 1.00 1.23 C ATOM 314 CG2 VAL A 18 -1.287 -22.322 -4.645 1.00 50.21 C ATOM 0 H VAL A 18 2.211 -24.856 -3.659 1.00 60.11 H new ATOM 0 HA VAL A 18 0.117 -24.394 -5.553 1.00 50.22 H new ATOM 0 HB VAL A 18 -1.060 -23.998 -3.351 1.00 32.51 H new ATOM 0 HG11 VAL A 18 -0.479 -21.977 -2.075 1.00 1.23 H new ATOM 0 HG12 VAL A 18 0.846 -23.165 -2.073 1.00 1.23 H new ATOM 0 HG13 VAL A 18 0.940 -21.730 -3.121 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -2.015 -21.826 -4.003 1.00 50.21 H new ATOM 0 HG22 VAL A 18 -0.661 -21.573 -5.130 1.00 50.21 H new ATOM 0 HG23 VAL A 18 -1.809 -22.905 -5.404 1.00 50.21 H new ATOM 324 N LYS A 19 1.299 -22.201 -6.217 1.00 10.43 N ATOM 325 CA LYS A 19 2.190 -21.189 -6.773 1.00 14.13 C ATOM 326 C LYS A 19 1.693 -19.785 -6.441 1.00 74.34 C ATOM 327 O LYS A 19 0.492 -19.563 -6.280 1.00 51.34 O ATOM 328 CB LYS A 19 2.302 -21.357 -8.290 1.00 11.24 C ATOM 329 CG LYS A 19 0.961 -21.520 -8.984 1.00 62.44 C ATOM 330 CD LYS A 19 0.591 -22.985 -9.145 1.00 24.40 C ATOM 331 CE LYS A 19 1.512 -23.688 -10.131 1.00 25.04 C ATOM 332 NZ LYS A 19 2.156 -24.889 -9.529 1.00 50.23 N ATOM 0 H LYS A 19 0.403 -22.284 -6.698 1.00 10.43 H new ATOM 0 HA LYS A 19 3.175 -21.322 -6.325 1.00 14.13 H new ATOM 0 HB2 LYS A 19 2.814 -20.490 -8.706 1.00 11.24 H new ATOM 0 HB3 LYS A 19 2.922 -22.227 -8.506 1.00 11.24 H new ATOM 0 HG2 LYS A 19 0.188 -21.010 -8.409 1.00 62.44 H new ATOM 0 HG3 LYS A 19 0.997 -21.043 -9.963 1.00 62.44 H new ATOM 0 HD2 LYS A 19 0.644 -23.483 -8.177 1.00 24.40 H new ATOM 0 HD3 LYS A 19 -0.440 -23.065 -9.488 1.00 24.40 H new ATOM 0 HE2 LYS A 19 0.943 -23.984 -11.012 1.00 25.04 H new ATOM 0 HE3 LYS A 19 2.282 -22.993 -10.468 1.00 25.04 H new ATOM 0 HZ1 LYS A 19 2.776 -25.340 -10.232 1.00 50.23 H new ATOM 0 HZ2 LYS A 19 2.720 -24.603 -8.703 1.00 50.23 H new ATOM 0 HZ3 LYS A 19 1.423 -25.563 -9.231 1.00 50.23 H new ATOM 346 N LEU A 20 2.622 -18.842 -6.342 1.00 43.44 N ATOM 347 CA LEU A 20 2.278 -17.458 -6.032 1.00 24.31 C ATOM 348 C LEU A 20 1.191 -16.944 -6.970 1.00 11.03 C ATOM 349 O LEU A 20 1.049 -17.399 -8.105 1.00 23.42 O ATOM 350 CB LEU A 20 3.518 -16.569 -6.134 1.00 5.40 C ATOM 351 CG LEU A 20 4.723 -16.998 -5.296 1.00 3.32 C ATOM 352 CD1 LEU A 20 6.001 -16.379 -5.842 1.00 32.22 C ATOM 353 CD2 LEU A 20 4.523 -16.612 -3.837 1.00 72.34 C ATOM 0 H LEU A 20 3.620 -19.009 -6.472 1.00 43.44 H new ATOM 0 HA LEU A 20 1.897 -17.424 -5.011 1.00 24.31 H new ATOM 0 HB2 LEU A 20 3.825 -16.526 -7.179 1.00 5.40 H new ATOM 0 HB3 LEU A 20 3.240 -15.557 -5.842 1.00 5.40 H new ATOM 0 HG LEU A 20 4.814 -18.083 -5.355 1.00 3.32 H new ATOM 0 HD11 LEU A 20 6.848 -16.696 -5.233 1.00 32.22 H new ATOM 0 HD12 LEU A 20 6.152 -16.705 -6.871 1.00 32.22 H new ATOM 0 HD13 LEU A 20 5.920 -15.292 -5.814 1.00 32.22 H new ATOM 0 HD21 LEU A 20 5.390 -16.925 -3.256 1.00 72.34 H new ATOM 0 HD22 LEU A 20 4.405 -15.531 -3.759 1.00 72.34 H new ATOM 0 HD23 LEU A 20 3.630 -17.103 -3.450 1.00 72.34 H new ATOM 365 N PRO A 21 0.405 -15.970 -6.487 1.00 33.41 N ATOM 366 CA PRO A 21 -0.682 -15.371 -7.267 1.00 11.33 C ATOM 367 C PRO A 21 -0.166 -14.516 -8.419 1.00 64.54 C ATOM 368 O PRO A 21 1.020 -14.551 -8.749 1.00 3.34 O ATOM 369 CB PRO A 21 -1.415 -14.500 -6.243 1.00 31.52 C ATOM 370 CG PRO A 21 -0.387 -14.180 -5.213 1.00 52.12 C ATOM 371 CD PRO A 21 0.517 -15.380 -5.143 1.00 15.33 C ATOM 0 HA PRO A 21 -1.313 -16.127 -7.734 1.00 11.33 H new ATOM 0 HB2 PRO A 21 -1.809 -13.594 -6.704 1.00 31.52 H new ATOM 0 HB3 PRO A 21 -2.262 -15.030 -5.806 1.00 31.52 H new ATOM 0 HG2 PRO A 21 0.173 -13.285 -5.485 1.00 52.12 H new ATOM 0 HG3 PRO A 21 -0.851 -13.984 -4.246 1.00 52.12 H new ATOM 0 HD2 PRO A 21 1.544 -15.097 -4.913 1.00 15.33 H new ATOM 0 HD3 PRO A 21 0.198 -16.079 -4.370 1.00 15.33 H new ATOM 379 N LYS A 22 -1.063 -13.750 -9.030 1.00 2.22 N ATOM 380 CA LYS A 22 -0.698 -12.884 -10.145 1.00 72.32 C ATOM 381 C LYS A 22 -0.390 -11.472 -9.659 1.00 44.34 C ATOM 382 O LYS A 22 0.525 -10.819 -10.162 1.00 3.54 O ATOM 383 CB LYS A 22 -1.828 -12.845 -11.177 1.00 45.12 C ATOM 384 CG LYS A 22 -3.187 -12.525 -10.579 1.00 62.35 C ATOM 385 CD LYS A 22 -4.259 -12.430 -11.652 1.00 0.41 C ATOM 386 CE LYS A 22 -4.314 -13.691 -12.499 1.00 63.45 C ATOM 387 NZ LYS A 22 -5.388 -13.622 -13.529 1.00 22.24 N ATOM 0 H LYS A 22 -2.049 -13.711 -8.772 1.00 2.22 H new ATOM 0 HA LYS A 22 0.199 -13.292 -10.612 1.00 72.32 H new ATOM 0 HB2 LYS A 22 -1.590 -12.100 -11.936 1.00 45.12 H new ATOM 0 HB3 LYS A 22 -1.881 -13.809 -11.682 1.00 45.12 H new ATOM 0 HG2 LYS A 22 -3.459 -13.296 -9.858 1.00 62.35 H new ATOM 0 HG3 LYS A 22 -3.133 -11.583 -10.033 1.00 62.35 H new ATOM 0 HD2 LYS A 22 -5.229 -12.262 -11.184 1.00 0.41 H new ATOM 0 HD3 LYS A 22 -4.060 -11.570 -12.291 1.00 0.41 H new ATOM 0 HE2 LYS A 22 -3.352 -13.842 -12.988 1.00 63.45 H new ATOM 0 HE3 LYS A 22 -4.484 -14.554 -11.855 1.00 63.45 H new ATOM 0 HZ1 LYS A 22 -5.392 -14.501 -14.085 1.00 22.24 H new ATOM 0 HZ2 LYS A 22 -6.310 -13.503 -13.062 1.00 22.24 H new ATOM 0 HZ3 LYS A 22 -5.213 -12.814 -14.160 1.00 22.24 H new ATOM 401 N ASP A 23 -1.157 -11.007 -8.680 1.00 31.12 N ATOM 402 CA ASP A 23 -0.964 -9.673 -8.124 1.00 43.44 C ATOM 403 C ASP A 23 0.119 -9.683 -7.050 1.00 43.10 C ATOM 404 O ASP A 23 -0.094 -9.210 -5.934 1.00 14.33 O ATOM 405 CB ASP A 23 -2.275 -9.145 -7.539 1.00 61.54 C ATOM 406 CG ASP A 23 -3.251 -8.704 -8.612 1.00 33.20 C ATOM 407 OD1 ASP A 23 -2.793 -8.243 -9.679 1.00 31.05 O ATOM 408 OD2 ASP A 23 -4.474 -8.821 -8.385 1.00 44.12 O ATOM 0 H ASP A 23 -1.919 -11.535 -8.254 1.00 31.12 H new ATOM 0 HA ASP A 23 -0.644 -9.014 -8.931 1.00 43.44 H new ATOM 0 HB2 ASP A 23 -2.736 -9.922 -6.929 1.00 61.54 H new ATOM 0 HB3 ASP A 23 -2.062 -8.305 -6.878 1.00 61.54 H new ATOM 413 N VAL A 24 1.282 -10.227 -7.394 1.00 44.54 N ATOM 414 CA VAL A 24 2.399 -10.299 -6.460 1.00 1.32 C ATOM 415 C VAL A 24 3.734 -10.187 -7.188 1.00 54.24 C ATOM 416 O VAL A 24 3.931 -10.794 -8.241 1.00 33.21 O ATOM 417 CB VAL A 24 2.374 -11.612 -5.656 1.00 22.31 C ATOM 418 CG1 VAL A 24 2.693 -12.796 -6.556 1.00 43.25 C ATOM 419 CG2 VAL A 24 3.348 -11.541 -4.490 1.00 24.33 C ATOM 0 H VAL A 24 1.475 -10.624 -8.313 1.00 44.54 H new ATOM 0 HA VAL A 24 2.292 -9.459 -5.774 1.00 1.32 H new ATOM 0 HB VAL A 24 1.371 -11.752 -5.254 1.00 22.31 H new ATOM 0 HG11 VAL A 24 2.671 -13.715 -5.970 1.00 43.25 H new ATOM 0 HG12 VAL A 24 1.953 -12.856 -7.354 1.00 43.25 H new ATOM 0 HG13 VAL A 24 3.684 -12.666 -6.990 1.00 43.25 H new ATOM 0 HG21 VAL A 24 3.317 -12.477 -3.933 1.00 24.33 H new ATOM 0 HG22 VAL A 24 4.357 -11.377 -4.868 1.00 24.33 H new ATOM 0 HG23 VAL A 24 3.069 -10.718 -3.832 1.00 24.33 H new ATOM 429 N ASP A 25 4.647 -9.407 -6.621 1.00 42.12 N ATOM 430 CA ASP A 25 5.965 -9.216 -7.216 1.00 21.12 C ATOM 431 C ASP A 25 7.017 -10.043 -6.483 1.00 72.30 C ATOM 432 O ASP A 25 7.248 -9.855 -5.289 1.00 15.45 O ATOM 433 CB ASP A 25 6.351 -7.736 -7.188 1.00 25.55 C ATOM 434 CG ASP A 25 7.298 -7.364 -8.312 1.00 14.41 C ATOM 435 OD1 ASP A 25 7.588 -8.236 -9.156 1.00 72.25 O ATOM 436 OD2 ASP A 25 7.749 -6.199 -8.347 1.00 34.32 O ATOM 0 H ASP A 25 4.499 -8.897 -5.750 1.00 42.12 H new ATOM 0 HA ASP A 25 5.921 -9.552 -8.252 1.00 21.12 H new ATOM 0 HB2 ASP A 25 5.450 -7.127 -7.259 1.00 25.55 H new ATOM 0 HB3 ASP A 25 6.818 -7.503 -6.231 1.00 25.55 H new ATOM 441 N ARG A 26 7.650 -10.960 -7.207 1.00 24.55 N ATOM 442 CA ARG A 26 8.676 -11.818 -6.625 1.00 32.13 C ATOM 443 C ARG A 26 9.951 -11.028 -6.344 1.00 15.21 C ATOM 444 O ARG A 26 10.679 -11.320 -5.395 1.00 2.51 O ATOM 445 CB ARG A 26 8.984 -12.988 -7.561 1.00 40.11 C ATOM 446 CG ARG A 26 10.189 -13.810 -7.133 1.00 14.13 C ATOM 447 CD ARG A 26 9.940 -14.513 -5.807 1.00 45.31 C ATOM 448 NE ARG A 26 9.465 -15.881 -5.994 1.00 10.14 N ATOM 449 CZ ARG A 26 10.218 -16.860 -6.482 1.00 75.34 C ATOM 450 NH1 ARG A 26 11.474 -16.624 -6.832 1.00 5.34 N ATOM 451 NH2 ARG A 26 9.713 -18.080 -6.622 1.00 41.42 N ATOM 0 H ARG A 26 7.471 -11.128 -8.197 1.00 24.55 H new ATOM 0 HA ARG A 26 8.295 -12.207 -5.681 1.00 32.13 H new ATOM 0 HB2 ARG A 26 8.111 -13.639 -7.614 1.00 40.11 H new ATOM 0 HB3 ARG A 26 9.156 -12.603 -8.566 1.00 40.11 H new ATOM 0 HG2 ARG A 26 10.418 -14.549 -7.901 1.00 14.13 H new ATOM 0 HG3 ARG A 26 11.061 -13.162 -7.044 1.00 14.13 H new ATOM 0 HD2 ARG A 26 10.861 -14.526 -5.225 1.00 45.31 H new ATOM 0 HD3 ARG A 26 9.206 -13.950 -5.230 1.00 45.31 H new ATOM 0 HE ARG A 26 8.502 -16.096 -5.736 1.00 10.14 H new ATOM 0 HH11 ARG A 26 11.865 -15.688 -6.727 1.00 5.34 H new ATOM 0 HH12 ARG A 26 12.049 -17.378 -7.206 1.00 5.34 H new ATOM 0 HH21 ARG A 26 8.746 -18.266 -6.355 1.00 41.42 H new ATOM 0 HH22 ARG A 26 10.292 -18.832 -6.997 1.00 41.42 H new ATOM 465 N THR A 27 10.215 -10.025 -7.176 1.00 73.32 N ATOM 466 CA THR A 27 11.401 -9.194 -7.019 1.00 65.12 C ATOM 467 C THR A 27 11.513 -8.658 -5.596 1.00 62.45 C ATOM 468 O THR A 27 12.538 -8.830 -4.937 1.00 65.51 O ATOM 469 CB THR A 27 11.391 -8.009 -8.003 1.00 2.43 C ATOM 470 OG1 THR A 27 10.712 -8.378 -9.208 1.00 40.10 O ATOM 471 CG2 THR A 27 12.809 -7.564 -8.329 1.00 71.12 C ATOM 0 H THR A 27 9.622 -9.769 -7.966 1.00 73.32 H new ATOM 0 HA THR A 27 12.261 -9.828 -7.234 1.00 65.12 H new ATOM 0 HB THR A 27 10.866 -7.178 -7.531 1.00 2.43 H new ATOM 0 HG1 THR A 27 9.757 -8.177 -9.120 1.00 40.10 H new ATOM 0 HG21 THR A 27 12.776 -6.726 -9.026 1.00 71.12 H new ATOM 0 HG22 THR A 27 13.313 -7.255 -7.413 1.00 71.12 H new ATOM 0 HG23 THR A 27 13.355 -8.391 -8.782 1.00 71.12 H new ATOM 479 N ARG A 28 10.452 -8.009 -5.129 1.00 2.04 N ATOM 480 CA ARG A 28 10.432 -7.448 -3.783 1.00 41.43 C ATOM 481 C ARG A 28 9.282 -8.031 -2.968 1.00 14.10 C ATOM 482 O ARG A 28 8.396 -7.304 -2.516 1.00 74.12 O ATOM 483 CB ARG A 28 10.306 -5.924 -3.845 1.00 64.22 C ATOM 484 CG ARG A 28 11.399 -5.256 -4.664 1.00 54.21 C ATOM 485 CD ARG A 28 12.582 -4.859 -3.796 1.00 11.54 C ATOM 486 NE ARG A 28 13.332 -3.744 -4.369 1.00 30.30 N ATOM 487 CZ ARG A 28 14.086 -3.849 -5.458 1.00 1.25 C ATOM 488 NH1 ARG A 28 14.189 -5.011 -6.087 1.00 44.14 N ATOM 489 NH2 ARG A 28 14.738 -2.789 -5.918 1.00 64.24 N ATOM 0 H ARG A 28 9.595 -7.858 -5.662 1.00 2.04 H new ATOM 0 HA ARG A 28 11.370 -7.709 -3.293 1.00 41.43 H new ATOM 0 HB2 ARG A 28 9.336 -5.665 -4.269 1.00 64.22 H new ATOM 0 HB3 ARG A 28 10.328 -5.524 -2.831 1.00 64.22 H new ATOM 0 HG2 ARG A 28 11.734 -5.935 -5.448 1.00 54.21 H new ATOM 0 HG3 ARG A 28 10.996 -4.372 -5.158 1.00 54.21 H new ATOM 0 HD2 ARG A 28 12.227 -4.584 -2.803 1.00 11.54 H new ATOM 0 HD3 ARG A 28 13.244 -5.716 -3.672 1.00 11.54 H new ATOM 0 HE ARG A 28 13.274 -2.836 -3.908 1.00 30.30 H new ATOM 0 HH11 ARG A 28 13.689 -5.827 -5.735 1.00 44.14 H new ATOM 0 HH12 ARG A 28 14.768 -5.089 -6.923 1.00 44.14 H new ATOM 0 HH21 ARG A 28 14.660 -1.894 -5.436 1.00 64.24 H new ATOM 0 HH22 ARG A 28 15.317 -2.869 -6.754 1.00 64.24 H new ATOM 503 N LEU A 29 9.301 -9.346 -2.784 1.00 63.31 N ATOM 504 CA LEU A 29 8.260 -10.028 -2.023 1.00 73.15 C ATOM 505 C LEU A 29 8.271 -9.583 -0.564 1.00 63.45 C ATOM 506 O LEU A 29 7.310 -9.807 0.170 1.00 75.23 O ATOM 507 CB LEU A 29 8.448 -11.544 -2.108 1.00 43.21 C ATOM 508 CG LEU A 29 7.183 -12.387 -1.950 1.00 72.54 C ATOM 509 CD1 LEU A 29 6.219 -12.124 -3.097 1.00 64.33 C ATOM 510 CD2 LEU A 29 7.534 -13.866 -1.875 1.00 33.32 C ATOM 0 H LEU A 29 10.026 -9.962 -3.152 1.00 63.31 H new ATOM 0 HA LEU A 29 7.296 -9.763 -2.456 1.00 73.15 H new ATOM 0 HB2 LEU A 29 8.900 -11.780 -3.071 1.00 43.21 H new ATOM 0 HB3 LEU A 29 9.160 -11.845 -1.339 1.00 43.21 H new ATOM 0 HG LEU A 29 6.694 -12.102 -1.019 1.00 72.54 H new ATOM 0 HD11 LEU A 29 5.324 -12.733 -2.967 1.00 64.33 H new ATOM 0 HD12 LEU A 29 5.942 -11.070 -3.105 1.00 64.33 H new ATOM 0 HD13 LEU A 29 6.699 -12.381 -4.042 1.00 64.33 H new ATOM 0 HD21 LEU A 29 6.621 -14.451 -1.763 1.00 33.32 H new ATOM 0 HD22 LEU A 29 8.047 -14.165 -2.789 1.00 33.32 H new ATOM 0 HD23 LEU A 29 8.186 -14.042 -1.019 1.00 33.32 H new ATOM 522 N GLU A 30 9.366 -8.951 -0.153 1.00 14.14 N ATOM 523 CA GLU A 30 9.501 -8.474 1.219 1.00 53.43 C ATOM 524 C GLU A 30 8.380 -7.498 1.568 1.00 23.32 C ATOM 525 O GLU A 30 7.820 -7.547 2.663 1.00 12.12 O ATOM 526 CB GLU A 30 10.860 -7.798 1.416 1.00 75.34 C ATOM 527 CG GLU A 30 10.960 -6.431 0.761 1.00 0.43 C ATOM 528 CD GLU A 30 12.395 -5.975 0.578 1.00 32.43 C ATOM 529 OE1 GLU A 30 13.259 -6.408 1.369 1.00 63.41 O ATOM 530 OE2 GLU A 30 12.653 -5.187 -0.355 1.00 3.24 O ATOM 0 H GLU A 30 10.171 -8.758 -0.749 1.00 14.14 H new ATOM 0 HA GLU A 30 9.431 -9.334 1.885 1.00 53.43 H new ATOM 0 HB2 GLU A 30 11.054 -7.695 2.484 1.00 75.34 H new ATOM 0 HB3 GLU A 30 11.640 -8.443 1.011 1.00 75.34 H new ATOM 0 HG2 GLU A 30 10.466 -6.460 -0.210 1.00 0.43 H new ATOM 0 HG3 GLU A 30 10.425 -5.701 1.369 1.00 0.43 H new ATOM 537 N ARG A 31 8.060 -6.613 0.630 1.00 62.22 N ATOM 538 CA ARG A 31 7.009 -5.625 0.838 1.00 34.25 C ATOM 539 C ARG A 31 5.637 -6.292 0.878 1.00 55.54 C ATOM 540 O ARG A 31 4.642 -5.668 1.250 1.00 2.13 O ATOM 541 CB ARG A 31 7.044 -4.570 -0.269 1.00 33.21 C ATOM 542 CG ARG A 31 8.124 -3.519 -0.075 1.00 23.13 C ATOM 543 CD ARG A 31 7.731 -2.192 -0.705 1.00 72.53 C ATOM 544 NE ARG A 31 8.744 -1.162 -0.490 1.00 75.53 N ATOM 545 CZ ARG A 31 8.913 -0.528 0.665 1.00 61.25 C ATOM 546 NH1 ARG A 31 8.141 -0.817 1.703 1.00 23.51 N ATOM 547 NH2 ARG A 31 9.857 0.397 0.782 1.00 14.33 N ATOM 0 H ARG A 31 8.514 -6.560 -0.282 1.00 62.22 H new ATOM 0 HA ARG A 31 7.186 -5.139 1.798 1.00 34.25 H new ATOM 0 HB2 ARG A 31 7.200 -5.066 -1.227 1.00 33.21 H new ATOM 0 HB3 ARG A 31 6.073 -4.076 -0.320 1.00 33.21 H new ATOM 0 HG2 ARG A 31 8.308 -3.377 0.990 1.00 23.13 H new ATOM 0 HG3 ARG A 31 9.057 -3.870 -0.515 1.00 23.13 H new ATOM 0 HD2 ARG A 31 7.577 -2.331 -1.775 1.00 72.53 H new ATOM 0 HD3 ARG A 31 6.781 -1.859 -0.286 1.00 72.53 H new ATOM 0 HE ARG A 31 9.355 -0.916 -1.269 1.00 75.53 H new ATOM 0 HH11 ARG A 31 7.415 -1.528 1.616 1.00 23.51 H new ATOM 0 HH12 ARG A 31 8.273 -0.328 2.589 1.00 23.51 H new ATOM 0 HH21 ARG A 31 10.453 0.621 -0.015 1.00 14.33 H new ATOM 0 HH22 ARG A 31 9.987 0.884 1.669 1.00 14.33 H new ATOM 561 N HIS A 32 5.590 -7.562 0.490 1.00 61.20 N ATOM 562 CA HIS A 32 4.340 -8.314 0.481 1.00 51.52 C ATOM 563 C HIS A 32 4.175 -9.109 1.772 1.00 34.02 C ATOM 564 O HIS A 32 3.133 -9.723 2.006 1.00 30.43 O ATOM 565 CB HIS A 32 4.296 -9.256 -0.722 1.00 32.51 C ATOM 566 CG HIS A 32 3.779 -8.611 -1.971 1.00 12.24 C ATOM 567 ND1 HIS A 32 2.437 -8.401 -2.209 1.00 41.22 N ATOM 568 CD2 HIS A 32 4.432 -8.126 -3.052 1.00 62.24 C ATOM 569 CE1 HIS A 32 2.287 -7.817 -3.384 1.00 43.45 C ATOM 570 NE2 HIS A 32 3.483 -7.638 -3.917 1.00 30.44 N ATOM 0 H HIS A 32 6.403 -8.092 0.178 1.00 61.20 H new ATOM 0 HA HIS A 32 3.517 -7.603 0.406 1.00 51.52 H new ATOM 0 HB2 HIS A 32 5.299 -9.639 -0.910 1.00 32.51 H new ATOM 0 HB3 HIS A 32 3.668 -10.113 -0.479 1.00 32.51 H new ATOM 0 HD1 HIS A 32 1.679 -8.657 -1.576 1.00 41.22 H new ATOM 0 HD2 HIS A 32 5.501 -8.123 -3.206 1.00 62.24 H new ATOM 0 HE1 HIS A 32 1.347 -7.534 -3.833 1.00 43.45 H new ATOM 578 N LEU A 33 5.208 -9.094 2.607 1.00 61.13 N ATOM 579 CA LEU A 33 5.178 -9.815 3.875 1.00 50.22 C ATOM 580 C LEU A 33 5.185 -8.845 5.052 1.00 31.44 C ATOM 581 O LEU A 33 6.020 -7.944 5.122 1.00 2.13 O ATOM 582 CB LEU A 33 6.374 -10.763 3.973 1.00 31.43 C ATOM 583 CG LEU A 33 6.117 -12.096 4.678 1.00 63.01 C ATOM 584 CD1 LEU A 33 5.393 -13.060 3.750 1.00 4.53 C ATOM 585 CD2 LEU A 33 7.425 -12.703 5.165 1.00 44.45 C ATOM 0 H LEU A 33 6.077 -8.590 2.429 1.00 61.13 H new ATOM 0 HA LEU A 33 4.257 -10.397 3.913 1.00 50.22 H new ATOM 0 HB2 LEU A 33 6.731 -10.971 2.964 1.00 31.43 H new ATOM 0 HB3 LEU A 33 7.179 -10.247 4.496 1.00 31.43 H new ATOM 0 HG LEU A 33 5.481 -11.910 5.544 1.00 63.01 H new ATOM 0 HD11 LEU A 33 5.219 -14.003 4.269 1.00 4.53 H new ATOM 0 HD12 LEU A 33 4.438 -12.629 3.451 1.00 4.53 H new ATOM 0 HD13 LEU A 33 6.003 -13.240 2.865 1.00 4.53 H new ATOM 0 HD21 LEU A 33 7.223 -13.651 5.664 1.00 44.45 H new ATOM 0 HD22 LEU A 33 8.085 -12.874 4.315 1.00 44.45 H new ATOM 0 HD23 LEU A 33 7.905 -12.019 5.865 1.00 44.45 H new ATOM 597 N SER A 34 4.250 -9.039 5.977 1.00 54.42 N ATOM 598 CA SER A 34 4.147 -8.180 7.151 1.00 32.43 C ATOM 599 C SER A 34 5.499 -8.043 7.844 1.00 44.35 C ATOM 600 O SER A 34 6.422 -8.826 7.620 1.00 24.44 O ATOM 601 CB SER A 34 3.115 -8.742 8.131 1.00 73.31 C ATOM 602 OG SER A 34 3.744 -9.460 9.178 1.00 34.32 O ATOM 0 H SER A 34 3.553 -9.783 5.936 1.00 54.42 H new ATOM 0 HA SER A 34 3.825 -7.192 6.821 1.00 32.43 H new ATOM 0 HB2 SER A 34 2.524 -7.927 8.549 1.00 73.31 H new ATOM 0 HB3 SER A 34 2.424 -9.397 7.600 1.00 73.31 H new ATOM 0 HG SER A 34 3.063 -9.808 9.791 1.00 34.32 H new ATOM 608 N PRO A 35 5.621 -7.022 8.705 1.00 50.20 N ATOM 609 CA PRO A 35 6.856 -6.756 9.449 1.00 61.35 C ATOM 610 C PRO A 35 7.132 -7.814 10.511 1.00 33.35 C ATOM 611 O PRO A 35 8.262 -8.276 10.661 1.00 22.31 O ATOM 612 CB PRO A 35 6.592 -5.398 10.102 1.00 15.32 C ATOM 613 CG PRO A 35 5.108 -5.313 10.212 1.00 2.30 C ATOM 614 CD PRO A 35 4.562 -6.048 9.020 1.00 71.41 C ATOM 0 HA PRO A 35 7.733 -6.769 8.801 1.00 61.35 H new ATOM 0 HB2 PRO A 35 7.066 -5.331 11.081 1.00 15.32 H new ATOM 0 HB3 PRO A 35 6.992 -4.584 9.498 1.00 15.32 H new ATOM 0 HG2 PRO A 35 4.759 -5.763 11.141 1.00 2.30 H new ATOM 0 HG3 PRO A 35 4.776 -4.275 10.216 1.00 2.30 H new ATOM 0 HD2 PRO A 35 3.618 -6.541 9.250 1.00 71.41 H new ATOM 0 HD3 PRO A 35 4.374 -5.374 8.184 1.00 71.41 H new ATOM 622 N GLU A 36 6.091 -8.193 11.247 1.00 72.45 N ATOM 623 CA GLU A 36 6.223 -9.197 12.296 1.00 73.21 C ATOM 624 C GLU A 36 6.595 -10.555 11.707 1.00 41.44 C ATOM 625 O GLU A 36 7.338 -11.324 12.316 1.00 53.14 O ATOM 626 CB GLU A 36 4.919 -9.313 13.088 1.00 32.31 C ATOM 627 CG GLU A 36 4.788 -8.284 14.199 1.00 74.54 C ATOM 628 CD GLU A 36 5.966 -8.302 15.152 1.00 23.24 C ATOM 629 OE1 GLU A 36 6.033 -9.219 15.998 1.00 53.14 O ATOM 630 OE2 GLU A 36 6.823 -7.399 15.053 1.00 53.51 O ATOM 0 H GLU A 36 5.148 -7.820 11.136 1.00 72.45 H new ATOM 0 HA GLU A 36 7.021 -8.881 12.967 1.00 73.21 H new ATOM 0 HB2 GLU A 36 4.077 -9.206 12.404 1.00 32.31 H new ATOM 0 HB3 GLU A 36 4.853 -10.312 13.520 1.00 32.31 H new ATOM 0 HG2 GLU A 36 4.696 -7.291 13.760 1.00 74.54 H new ATOM 0 HG3 GLU A 36 3.871 -8.472 14.757 1.00 74.54 H new ATOM 637 N GLU A 37 6.073 -10.841 10.518 1.00 11.30 N ATOM 638 CA GLU A 37 6.349 -12.106 9.847 1.00 4.53 C ATOM 639 C GLU A 37 7.774 -12.131 9.300 1.00 33.21 C ATOM 640 O GLU A 37 8.461 -13.150 9.375 1.00 42.10 O ATOM 641 CB GLU A 37 5.351 -12.335 8.711 1.00 53.20 C ATOM 642 CG GLU A 37 4.320 -13.410 9.014 1.00 43.41 C ATOM 643 CD GLU A 37 3.603 -13.176 10.329 1.00 21.14 C ATOM 644 OE1 GLU A 37 2.586 -12.452 10.331 1.00 72.22 O ATOM 645 OE2 GLU A 37 4.060 -13.718 11.358 1.00 71.12 O ATOM 0 H GLU A 37 5.457 -10.214 10.000 1.00 11.30 H new ATOM 0 HA GLU A 37 6.244 -12.907 10.579 1.00 4.53 H new ATOM 0 HB2 GLU A 37 4.835 -11.399 8.497 1.00 53.20 H new ATOM 0 HB3 GLU A 37 5.897 -12.611 7.809 1.00 53.20 H new ATOM 0 HG2 GLU A 37 3.588 -13.444 8.207 1.00 43.41 H new ATOM 0 HG3 GLU A 37 4.812 -14.383 9.040 1.00 43.41 H new ATOM 652 N PHE A 38 8.210 -11.003 8.749 1.00 20.32 N ATOM 653 CA PHE A 38 9.551 -10.896 8.188 1.00 45.24 C ATOM 654 C PHE A 38 10.611 -11.103 9.266 1.00 11.11 C ATOM 655 O PHE A 38 11.598 -11.807 9.053 1.00 13.34 O ATOM 656 CB PHE A 38 9.742 -9.530 7.525 1.00 1.33 C ATOM 657 CG PHE A 38 10.503 -9.592 6.232 1.00 51.43 C ATOM 658 CD1 PHE A 38 9.952 -10.203 5.117 1.00 10.02 C ATOM 659 CD2 PHE A 38 11.769 -9.039 6.131 1.00 45.24 C ATOM 660 CE1 PHE A 38 10.649 -10.261 3.925 1.00 23.41 C ATOM 661 CE2 PHE A 38 12.471 -9.094 4.941 1.00 3.33 C ATOM 662 CZ PHE A 38 11.911 -9.707 3.838 1.00 41.24 C ATOM 0 H PHE A 38 7.654 -10.151 8.679 1.00 20.32 H new ATOM 0 HA PHE A 38 9.666 -11.677 7.436 1.00 45.24 H new ATOM 0 HB2 PHE A 38 8.764 -9.085 7.341 1.00 1.33 H new ATOM 0 HB3 PHE A 38 10.268 -8.870 8.215 1.00 1.33 H new ATOM 0 HD1 PHE A 38 8.966 -10.639 5.180 1.00 10.02 H new ATOM 0 HD2 PHE A 38 12.213 -8.560 6.991 1.00 45.24 H new ATOM 0 HE1 PHE A 38 10.207 -10.739 3.063 1.00 23.41 H new ATOM 0 HE2 PHE A 38 13.457 -8.658 4.874 1.00 3.33 H new ATOM 0 HZ PHE A 38 12.459 -9.753 2.909 1.00 41.24 H new ATOM 672 N GLN A 39 10.398 -10.484 10.423 1.00 72.01 N ATOM 673 CA GLN A 39 11.335 -10.599 11.534 1.00 33.32 C ATOM 674 C GLN A 39 11.180 -11.942 12.240 1.00 74.41 C ATOM 675 O GLN A 39 12.104 -12.418 12.898 1.00 62.43 O ATOM 676 CB GLN A 39 11.120 -9.459 12.530 1.00 11.44 C ATOM 677 CG GLN A 39 9.753 -9.481 13.195 1.00 11.40 C ATOM 678 CD GLN A 39 9.694 -10.428 14.377 1.00 73.54 C ATOM 679 OE1 GLN A 39 10.722 -10.793 14.947 1.00 3.21 O ATOM 680 NE2 GLN A 39 8.486 -10.834 14.751 1.00 12.51 N ATOM 0 H GLN A 39 9.585 -9.898 10.615 1.00 72.01 H new ATOM 0 HA GLN A 39 12.346 -10.535 11.132 1.00 33.32 H new ATOM 0 HB2 GLN A 39 11.890 -9.510 13.300 1.00 11.44 H new ATOM 0 HB3 GLN A 39 11.248 -8.508 12.014 1.00 11.44 H new ATOM 0 HG2 GLN A 39 9.499 -8.475 13.528 1.00 11.40 H new ATOM 0 HG3 GLN A 39 9.001 -9.774 12.462 1.00 11.40 H new ATOM 0 HE21 GLN A 39 7.660 -10.506 14.250 1.00 12.51 H new ATOM 0 HE22 GLN A 39 8.384 -11.473 15.539 1.00 12.51 H new ATOM 689 N GLU A 40 10.004 -12.548 12.098 1.00 4.44 N ATOM 690 CA GLU A 40 9.729 -13.836 12.724 1.00 10.40 C ATOM 691 C GLU A 40 10.242 -14.982 11.858 1.00 64.13 C ATOM 692 O GLU A 40 10.667 -16.019 12.368 1.00 13.01 O ATOM 693 CB GLU A 40 8.227 -13.999 12.967 1.00 1.43 C ATOM 694 CG GLU A 40 7.845 -15.361 13.521 1.00 13.25 C ATOM 695 CD GLU A 40 8.455 -15.629 14.884 1.00 52.34 C ATOM 696 OE1 GLU A 40 8.244 -14.806 15.799 1.00 23.04 O ATOM 697 OE2 GLU A 40 9.143 -16.660 15.034 1.00 55.02 O ATOM 0 H GLU A 40 9.228 -12.168 11.556 1.00 4.44 H new ATOM 0 HA GLU A 40 10.250 -13.865 13.681 1.00 10.40 H new ATOM 0 HB2 GLU A 40 7.894 -13.227 13.661 1.00 1.43 H new ATOM 0 HB3 GLU A 40 7.696 -13.835 12.029 1.00 1.43 H new ATOM 0 HG2 GLU A 40 6.759 -15.428 13.593 1.00 13.25 H new ATOM 0 HG3 GLU A 40 8.166 -16.135 12.825 1.00 13.25 H new ATOM 704 N VAL A 41 10.200 -14.788 10.543 1.00 0.14 N ATOM 705 CA VAL A 41 10.661 -15.804 9.605 1.00 31.31 C ATOM 706 C VAL A 41 12.166 -15.705 9.382 1.00 12.45 C ATOM 707 O VAL A 41 12.813 -16.678 8.996 1.00 71.04 O ATOM 708 CB VAL A 41 9.943 -15.682 8.248 1.00 61.01 C ATOM 709 CG1 VAL A 41 8.441 -15.851 8.421 1.00 63.22 C ATOM 710 CG2 VAL A 41 10.266 -14.347 7.593 1.00 33.33 C ATOM 0 H VAL A 41 9.851 -13.936 10.104 1.00 0.14 H new ATOM 0 HA VAL A 41 10.425 -16.772 10.047 1.00 31.31 H new ATOM 0 HB VAL A 41 10.301 -16.478 7.594 1.00 61.01 H new ATOM 0 HG11 VAL A 41 7.951 -15.762 7.452 1.00 63.22 H new ATOM 0 HG12 VAL A 41 8.232 -16.833 8.844 1.00 63.22 H new ATOM 0 HG13 VAL A 41 8.063 -15.079 9.091 1.00 63.22 H new ATOM 0 HG21 VAL A 41 9.750 -14.278 6.635 1.00 33.33 H new ATOM 0 HG22 VAL A 41 9.938 -13.535 8.241 1.00 33.33 H new ATOM 0 HG23 VAL A 41 11.341 -14.271 7.433 1.00 33.33 H new ATOM 720 N PHE A 42 12.718 -14.521 9.630 1.00 71.42 N ATOM 721 CA PHE A 42 14.148 -14.294 9.456 1.00 13.40 C ATOM 722 C PHE A 42 14.908 -14.603 10.742 1.00 21.12 C ATOM 723 O PHE A 42 15.938 -15.275 10.721 1.00 64.11 O ATOM 724 CB PHE A 42 14.407 -12.846 9.032 1.00 23.45 C ATOM 725 CG PHE A 42 14.232 -12.612 7.559 1.00 25.42 C ATOM 726 CD1 PHE A 42 13.281 -13.318 6.840 1.00 12.44 C ATOM 727 CD2 PHE A 42 15.020 -11.687 6.893 1.00 62.41 C ATOM 728 CE1 PHE A 42 13.117 -13.104 5.485 1.00 60.44 C ATOM 729 CE2 PHE A 42 14.861 -11.470 5.537 1.00 13.35 C ATOM 730 CZ PHE A 42 13.909 -12.180 4.832 1.00 12.12 C ATOM 0 H PHE A 42 12.197 -13.705 9.952 1.00 71.42 H new ATOM 0 HA PHE A 42 14.505 -14.964 8.674 1.00 13.40 H new ATOM 0 HB2 PHE A 42 13.731 -12.189 9.579 1.00 23.45 H new ATOM 0 HB3 PHE A 42 15.421 -12.568 9.318 1.00 23.45 H new ATOM 0 HD1 PHE A 42 12.661 -14.044 7.345 1.00 12.44 H new ATOM 0 HD2 PHE A 42 15.767 -11.130 7.439 1.00 62.41 H new ATOM 0 HE1 PHE A 42 12.370 -13.659 4.937 1.00 60.44 H new ATOM 0 HE2 PHE A 42 15.481 -10.746 5.029 1.00 13.35 H new ATOM 0 HZ PHE A 42 13.784 -12.013 3.772 1.00 12.12 H new ATOM 740 N GLY A 43 14.391 -14.107 11.862 1.00 5.44 N ATOM 741 CA GLY A 43 15.034 -14.340 13.143 1.00 40.55 C ATOM 742 C GLY A 43 15.399 -13.050 13.851 1.00 21.21 C ATOM 743 O GLY A 43 15.237 -12.934 15.065 1.00 33.35 O ATOM 0 H GLY A 43 13.539 -13.548 11.906 1.00 5.44 H new ATOM 0 HA2 GLY A 43 14.369 -14.924 13.779 1.00 40.55 H new ATOM 0 HA3 GLY A 43 15.935 -14.935 12.991 1.00 40.55 H new ATOM 747 N MET A 44 15.895 -12.079 13.091 1.00 22.33 N ATOM 748 CA MET A 44 16.285 -10.792 13.655 1.00 51.11 C ATOM 749 C MET A 44 15.067 -9.895 13.855 1.00 23.34 C ATOM 750 O MET A 44 13.928 -10.337 13.704 1.00 1.41 O ATOM 751 CB MET A 44 17.299 -10.098 12.744 1.00 62.14 C ATOM 752 CG MET A 44 16.886 -10.075 11.281 1.00 52.00 C ATOM 753 SD MET A 44 17.716 -11.343 10.305 1.00 73.45 S ATOM 754 CE MET A 44 18.523 -10.339 9.061 1.00 50.04 C ATOM 0 H MET A 44 16.036 -12.159 12.084 1.00 22.33 H new ATOM 0 HA MET A 44 16.745 -10.974 14.627 1.00 51.11 H new ATOM 0 HB2 MET A 44 17.443 -9.074 13.088 1.00 62.14 H new ATOM 0 HB3 MET A 44 18.261 -10.603 12.834 1.00 62.14 H new ATOM 0 HG2 MET A 44 15.807 -10.215 11.210 1.00 52.00 H new ATOM 0 HG3 MET A 44 17.108 -9.094 10.860 1.00 52.00 H new ATOM 0 HE1 MET A 44 19.521 -10.733 8.866 1.00 50.04 H new ATOM 0 HE2 MET A 44 17.939 -10.360 8.141 1.00 50.04 H new ATOM 0 HE3 MET A 44 18.602 -9.312 9.417 1.00 50.04 H new ATOM 764 N SER A 45 15.316 -8.635 14.197 1.00 53.00 N ATOM 765 CA SER A 45 14.239 -7.678 14.422 1.00 0.33 C ATOM 766 C SER A 45 13.920 -6.908 13.144 1.00 4.22 C ATOM 767 O SER A 45 14.796 -6.683 12.308 1.00 53.41 O ATOM 768 CB SER A 45 14.621 -6.702 15.537 1.00 14.01 C ATOM 769 OG SER A 45 14.886 -5.411 15.016 1.00 12.04 O ATOM 0 H SER A 45 16.253 -8.253 14.324 1.00 53.00 H new ATOM 0 HA SER A 45 13.350 -8.233 14.722 1.00 0.33 H new ATOM 0 HB2 SER A 45 13.813 -6.644 16.267 1.00 14.01 H new ATOM 0 HB3 SER A 45 15.500 -7.073 16.064 1.00 14.01 H new ATOM 0 HG SER A 45 15.126 -4.806 15.748 1.00 12.04 H new ATOM 775 N ILE A 46 12.662 -6.507 13.001 1.00 73.23 N ATOM 776 CA ILE A 46 12.227 -5.762 11.826 1.00 40.21 C ATOM 777 C ILE A 46 13.081 -4.516 11.618 1.00 1.34 C ATOM 778 O ILE A 46 13.292 -4.078 10.488 1.00 4.10 O ATOM 779 CB ILE A 46 10.749 -5.344 11.939 1.00 31.42 C ATOM 780 CG1 ILE A 46 10.164 -5.076 10.551 1.00 62.31 C ATOM 781 CG2 ILE A 46 10.612 -4.114 12.824 1.00 63.30 C ATOM 782 CD1 ILE A 46 10.319 -3.642 10.097 1.00 52.32 C ATOM 0 H ILE A 46 11.926 -6.685 13.684 1.00 73.23 H new ATOM 0 HA ILE A 46 12.344 -6.427 10.970 1.00 40.21 H new ATOM 0 HB ILE A 46 10.190 -6.161 12.396 1.00 31.42 H new ATOM 0 HG12 ILE A 46 10.649 -5.732 9.828 1.00 62.31 H new ATOM 0 HG13 ILE A 46 9.105 -5.335 10.556 1.00 62.31 H new ATOM 0 HG21 ILE A 46 9.562 -3.831 12.894 1.00 63.30 H new ATOM 0 HG22 ILE A 46 10.995 -4.338 13.820 1.00 63.30 H new ATOM 0 HG23 ILE A 46 11.182 -3.291 12.393 1.00 63.30 H new ATOM 0 HD11 ILE A 46 9.882 -3.525 9.105 1.00 52.32 H new ATOM 0 HD12 ILE A 46 9.810 -2.981 10.798 1.00 52.32 H new ATOM 0 HD13 ILE A 46 11.378 -3.385 10.060 1.00 52.32 H new ATOM 794 N GLU A 47 13.571 -3.951 12.718 1.00 52.34 N ATOM 795 CA GLU A 47 14.403 -2.755 12.655 1.00 22.12 C ATOM 796 C GLU A 47 15.708 -3.038 11.916 1.00 72.50 C ATOM 797 O GLU A 47 16.200 -2.200 11.162 1.00 50.02 O ATOM 798 CB GLU A 47 14.704 -2.242 14.065 1.00 62.01 C ATOM 799 CG GLU A 47 13.487 -2.212 14.974 1.00 3.04 C ATOM 800 CD GLU A 47 13.670 -1.289 16.164 1.00 64.24 C ATOM 801 OE1 GLU A 47 14.071 -0.125 15.956 1.00 41.02 O ATOM 802 OE2 GLU A 47 13.412 -1.732 17.303 1.00 65.04 O ATOM 0 H GLU A 47 13.406 -4.302 13.661 1.00 52.34 H new ATOM 0 HA GLU A 47 13.854 -1.990 12.107 1.00 22.12 H new ATOM 0 HB2 GLU A 47 15.469 -2.874 14.517 1.00 62.01 H new ATOM 0 HB3 GLU A 47 15.120 -1.237 13.996 1.00 62.01 H new ATOM 0 HG2 GLU A 47 12.618 -1.891 14.400 1.00 3.04 H new ATOM 0 HG3 GLU A 47 13.279 -3.221 15.330 1.00 3.04 H new ATOM 809 N GLU A 48 16.262 -4.226 12.139 1.00 31.13 N ATOM 810 CA GLU A 48 17.510 -4.619 11.496 1.00 72.34 C ATOM 811 C GLU A 48 17.386 -4.544 9.977 1.00 53.14 C ATOM 812 O GLU A 48 18.290 -4.065 9.292 1.00 52.23 O ATOM 813 CB GLU A 48 17.902 -6.037 11.917 1.00 71.24 C ATOM 814 CG GLU A 48 19.388 -6.324 11.778 1.00 34.23 C ATOM 815 CD GLU A 48 20.226 -5.555 12.780 1.00 2.33 C ATOM 816 OE1 GLU A 48 19.817 -5.471 13.957 1.00 1.10 O ATOM 817 OE2 GLU A 48 21.292 -5.036 12.387 1.00 62.41 O ATOM 0 H GLU A 48 15.866 -4.932 12.760 1.00 31.13 H new ATOM 0 HA GLU A 48 18.288 -3.925 11.815 1.00 72.34 H new ATOM 0 HB2 GLU A 48 17.606 -6.194 12.954 1.00 71.24 H new ATOM 0 HB3 GLU A 48 17.344 -6.753 11.314 1.00 71.24 H new ATOM 0 HG2 GLU A 48 19.562 -7.392 11.908 1.00 34.23 H new ATOM 0 HG3 GLU A 48 19.711 -6.069 10.768 1.00 34.23 H new ATOM 824 N PHE A 49 16.260 -5.021 9.456 1.00 32.24 N ATOM 825 CA PHE A 49 16.017 -5.010 8.019 1.00 50.15 C ATOM 826 C PHE A 49 16.112 -3.592 7.462 1.00 32.21 C ATOM 827 O PHE A 49 16.883 -3.326 6.540 1.00 31.00 O ATOM 828 CB PHE A 49 14.640 -5.601 7.708 1.00 43.23 C ATOM 829 CG PHE A 49 14.414 -6.951 8.326 1.00 50.21 C ATOM 830 CD1 PHE A 49 15.421 -7.902 8.333 1.00 44.01 C ATOM 831 CD2 PHE A 49 13.193 -7.269 8.900 1.00 45.14 C ATOM 832 CE1 PHE A 49 15.217 -9.145 8.901 1.00 34.23 C ATOM 833 CE2 PHE A 49 12.983 -8.510 9.470 1.00 60.22 C ATOM 834 CZ PHE A 49 13.995 -9.450 9.470 1.00 43.15 C ATOM 0 H PHE A 49 15.501 -5.420 10.009 1.00 32.24 H new ATOM 0 HA PHE A 49 16.783 -5.621 7.542 1.00 50.15 H new ATOM 0 HB2 PHE A 49 13.871 -4.915 8.062 1.00 43.23 H new ATOM 0 HB3 PHE A 49 14.523 -5.681 6.627 1.00 43.23 H new ATOM 0 HD1 PHE A 49 16.378 -7.669 7.889 1.00 44.01 H new ATOM 0 HD2 PHE A 49 12.397 -6.539 8.902 1.00 45.14 H new ATOM 0 HE1 PHE A 49 16.011 -9.877 8.900 1.00 34.23 H new ATOM 0 HE2 PHE A 49 12.028 -8.745 9.915 1.00 60.22 H new ATOM 0 HZ PHE A 49 13.832 -10.421 9.914 1.00 43.15 H new ATOM 844 N ASP A 50 15.322 -2.687 8.029 1.00 40.22 N ATOM 845 CA ASP A 50 15.316 -1.296 7.591 1.00 42.13 C ATOM 846 C ASP A 50 16.718 -0.698 7.663 1.00 53.43 C ATOM 847 O ASP A 50 17.110 0.095 6.806 1.00 33.10 O ATOM 848 CB ASP A 50 14.352 -0.473 8.447 1.00 24.12 C ATOM 849 CG ASP A 50 14.506 1.018 8.221 1.00 11.13 C ATOM 850 OD1 ASP A 50 15.389 1.628 8.861 1.00 60.44 O ATOM 851 OD2 ASP A 50 13.744 1.576 7.405 1.00 74.55 O ATOM 0 H ASP A 50 14.678 -2.892 8.793 1.00 40.22 H new ATOM 0 HA ASP A 50 14.981 -1.269 6.554 1.00 42.13 H new ATOM 0 HB2 ASP A 50 13.327 -0.768 8.221 1.00 24.12 H new ATOM 0 HB3 ASP A 50 14.523 -0.698 9.500 1.00 24.12 H new ATOM 856 N ARG A 51 17.467 -1.082 8.691 1.00 44.34 N ATOM 857 CA ARG A 51 18.824 -0.582 8.876 1.00 43.54 C ATOM 858 C ARG A 51 19.783 -1.229 7.880 1.00 13.41 C ATOM 859 O ARG A 51 20.815 -0.653 7.532 1.00 31.50 O ATOM 860 CB ARG A 51 19.299 -0.850 10.305 1.00 50.30 C ATOM 861 CG ARG A 51 19.031 0.301 11.262 1.00 73.53 C ATOM 862 CD ARG A 51 17.769 0.064 12.077 1.00 23.14 C ATOM 863 NE ARG A 51 17.673 0.976 13.214 1.00 41.33 N ATOM 864 CZ ARG A 51 18.323 0.796 14.358 1.00 31.12 C ATOM 865 NH1 ARG A 51 19.112 -0.257 14.517 1.00 21.53 N ATOM 866 NH2 ARG A 51 18.184 1.671 15.346 1.00 22.43 N ATOM 0 H ARG A 51 17.157 -1.738 9.408 1.00 44.34 H new ATOM 0 HA ARG A 51 18.815 0.494 8.699 1.00 43.54 H new ATOM 0 HB2 ARG A 51 18.806 -1.746 10.681 1.00 50.30 H new ATOM 0 HB3 ARG A 51 20.369 -1.058 10.290 1.00 50.30 H new ATOM 0 HG2 ARG A 51 19.881 0.424 11.933 1.00 73.53 H new ATOM 0 HG3 ARG A 51 18.933 1.229 10.699 1.00 73.53 H new ATOM 0 HD2 ARG A 51 16.895 0.189 11.437 1.00 23.14 H new ATOM 0 HD3 ARG A 51 17.757 -0.965 12.436 1.00 23.14 H new ATOM 0 HE ARG A 51 17.074 1.796 13.124 1.00 41.33 H new ATOM 0 HH11 ARG A 51 19.221 -0.931 13.760 1.00 21.53 H new ATOM 0 HH12 ARG A 51 19.610 -0.393 15.397 1.00 21.53 H new ATOM 0 HH21 ARG A 51 17.578 2.482 15.227 1.00 22.43 H new ATOM 0 HH22 ARG A 51 18.684 1.532 16.224 1.00 22.43 H new ATOM 880 N LEU A 52 19.435 -2.428 7.426 1.00 40.50 N ATOM 881 CA LEU A 52 20.264 -3.154 6.471 1.00 44.25 C ATOM 882 C LEU A 52 20.048 -2.631 5.054 1.00 71.21 C ATOM 883 O LEU A 52 19.168 -1.805 4.814 1.00 32.23 O ATOM 884 CB LEU A 52 19.952 -4.650 6.528 1.00 75.13 C ATOM 885 CG LEU A 52 20.543 -5.415 7.713 1.00 53.52 C ATOM 886 CD1 LEU A 52 19.913 -6.794 7.826 1.00 72.12 C ATOM 887 CD2 LEU A 52 22.054 -5.526 7.575 1.00 1.00 C ATOM 0 H LEU A 52 18.585 -2.918 7.704 1.00 40.50 H new ATOM 0 HA LEU A 52 21.308 -2.997 6.741 1.00 44.25 H new ATOM 0 HB2 LEU A 52 18.869 -4.774 6.545 1.00 75.13 H new ATOM 0 HB3 LEU A 52 20.312 -5.111 5.608 1.00 75.13 H new ATOM 0 HG LEU A 52 20.321 -4.862 8.626 1.00 53.52 H new ATOM 0 HD11 LEU A 52 20.346 -7.323 8.675 1.00 72.12 H new ATOM 0 HD12 LEU A 52 18.838 -6.692 7.972 1.00 72.12 H new ATOM 0 HD13 LEU A 52 20.103 -7.357 6.912 1.00 72.12 H new ATOM 0 HD21 LEU A 52 22.458 -6.073 8.427 1.00 1.00 H new ATOM 0 HD22 LEU A 52 22.297 -6.057 6.654 1.00 1.00 H new ATOM 0 HD23 LEU A 52 22.491 -4.528 7.545 1.00 1.00 H new ATOM 899 N ALA A 53 20.855 -3.120 4.119 1.00 64.35 N ATOM 900 CA ALA A 53 20.749 -2.706 2.725 1.00 4.11 C ATOM 901 C ALA A 53 19.912 -3.694 1.921 1.00 70.44 C ATOM 902 O ALA A 53 19.537 -4.757 2.419 1.00 4.44 O ATOM 903 CB ALA A 53 22.134 -2.562 2.111 1.00 52.54 C ATOM 0 H ALA A 53 21.590 -3.804 4.301 1.00 64.35 H new ATOM 0 HA ALA A 53 20.248 -1.738 2.696 1.00 4.11 H new ATOM 0 HB1 ALA A 53 22.040 -2.252 1.070 1.00 52.54 H new ATOM 0 HB2 ALA A 53 22.700 -1.812 2.663 1.00 52.54 H new ATOM 0 HB3 ALA A 53 22.655 -3.518 2.160 1.00 52.54 H new ATOM 909 N LEU A 54 19.621 -3.339 0.674 1.00 13.44 N ATOM 910 CA LEU A 54 18.826 -4.195 -0.200 1.00 2.42 C ATOM 911 C LEU A 54 19.497 -5.551 -0.390 1.00 64.03 C ATOM 912 O LEU A 54 18.899 -6.593 -0.126 1.00 35.44 O ATOM 913 CB LEU A 54 18.620 -3.520 -1.557 1.00 11.20 C ATOM 914 CG LEU A 54 17.275 -3.777 -2.237 1.00 33.11 C ATOM 915 CD1 LEU A 54 17.421 -3.718 -3.750 1.00 1.15 C ATOM 916 CD2 LEU A 54 16.708 -5.122 -1.806 1.00 61.24 C ATOM 0 H LEU A 54 19.924 -2.464 0.245 1.00 13.44 H new ATOM 0 HA LEU A 54 17.856 -4.353 0.271 1.00 2.42 H new ATOM 0 HB2 LEU A 54 18.739 -2.444 -1.427 1.00 11.20 H new ATOM 0 HB3 LEU A 54 19.413 -3.850 -2.228 1.00 11.20 H new ATOM 0 HG LEU A 54 16.579 -2.996 -1.929 1.00 33.11 H new ATOM 0 HD11 LEU A 54 16.453 -3.903 -4.216 1.00 1.15 H new ATOM 0 HD12 LEU A 54 17.782 -2.732 -4.043 1.00 1.15 H new ATOM 0 HD13 LEU A 54 18.132 -4.476 -4.077 1.00 1.15 H new ATOM 0 HD21 LEU A 54 15.751 -5.288 -2.300 1.00 61.24 H new ATOM 0 HD22 LEU A 54 17.402 -5.915 -2.084 1.00 61.24 H new ATOM 0 HD23 LEU A 54 16.565 -5.127 -0.725 1.00 61.24 H new ATOM 928 N TRP A 55 20.744 -5.529 -0.849 1.00 34.13 N ATOM 929 CA TRP A 55 21.497 -6.758 -1.072 1.00 42.33 C ATOM 930 C TRP A 55 21.316 -7.727 0.091 1.00 51.24 C ATOM 931 O TRP A 55 21.181 -8.934 -0.109 1.00 70.22 O ATOM 932 CB TRP A 55 22.982 -6.442 -1.263 1.00 33.12 C ATOM 933 CG TRP A 55 23.660 -5.996 -0.003 1.00 45.23 C ATOM 934 CD1 TRP A 55 23.798 -4.712 0.443 1.00 34.53 C ATOM 935 CD2 TRP A 55 24.296 -6.832 0.970 1.00 0.51 C ATOM 936 NE1 TRP A 55 24.480 -4.700 1.636 1.00 62.12 N ATOM 937 CE2 TRP A 55 24.796 -5.987 1.981 1.00 63.51 C ATOM 938 CE3 TRP A 55 24.489 -8.211 1.087 1.00 3.55 C ATOM 939 CZ2 TRP A 55 25.477 -6.479 3.091 1.00 24.13 C ATOM 940 CZ3 TRP A 55 25.166 -8.697 2.190 1.00 52.21 C ATOM 941 CH2 TRP A 55 25.652 -7.833 3.180 1.00 25.44 C ATOM 0 H TRP A 55 21.254 -4.675 -1.074 1.00 34.13 H new ATOM 0 HA TRP A 55 21.114 -7.231 -1.976 1.00 42.33 H new ATOM 0 HB2 TRP A 55 23.489 -7.328 -1.646 1.00 33.12 H new ATOM 0 HB3 TRP A 55 23.086 -5.663 -2.019 1.00 33.12 H new ATOM 0 HD1 TRP A 55 23.426 -3.836 -0.067 1.00 34.53 H new ATOM 0 HE1 TRP A 55 24.713 -3.867 2.177 1.00 62.12 H new ATOM 0 HE3 TRP A 55 24.116 -8.885 0.330 1.00 3.55 H new ATOM 0 HZ2 TRP A 55 25.854 -5.815 3.855 1.00 24.13 H new ATOM 0 HZ3 TRP A 55 25.323 -9.761 2.290 1.00 52.21 H new ATOM 0 HH2 TRP A 55 26.175 -8.244 4.031 1.00 25.44 H new ATOM 952 N LYS A 56 21.313 -7.191 1.307 1.00 65.24 N ATOM 953 CA LYS A 56 21.147 -8.008 2.503 1.00 61.33 C ATOM 954 C LYS A 56 19.724 -8.549 2.599 1.00 50.31 C ATOM 955 O LYS A 56 19.517 -9.741 2.824 1.00 32.20 O ATOM 956 CB LYS A 56 21.480 -7.192 3.754 1.00 55.45 C ATOM 957 CG LYS A 56 21.639 -8.036 5.006 1.00 3.53 C ATOM 958 CD LYS A 56 23.029 -8.643 5.096 1.00 43.20 C ATOM 959 CE LYS A 56 23.266 -9.297 6.449 1.00 54.33 C ATOM 960 NZ LYS A 56 24.690 -9.199 6.871 1.00 43.31 N ATOM 0 H LYS A 56 21.424 -6.194 1.490 1.00 65.24 H new ATOM 0 HA LYS A 56 21.834 -8.852 2.434 1.00 61.33 H new ATOM 0 HB2 LYS A 56 22.402 -6.637 3.581 1.00 55.45 H new ATOM 0 HB3 LYS A 56 20.692 -6.457 3.919 1.00 55.45 H new ATOM 0 HG2 LYS A 56 21.452 -7.421 5.886 1.00 3.53 H new ATOM 0 HG3 LYS A 56 20.893 -8.831 5.007 1.00 3.53 H new ATOM 0 HD2 LYS A 56 23.156 -9.383 4.306 1.00 43.20 H new ATOM 0 HD3 LYS A 56 23.777 -7.868 4.929 1.00 43.20 H new ATOM 0 HE2 LYS A 56 22.632 -8.822 7.198 1.00 54.33 H new ATOM 0 HE3 LYS A 56 22.973 -10.346 6.402 1.00 54.33 H new ATOM 0 HZ1 LYS A 56 24.810 -9.656 7.797 1.00 43.31 H new ATOM 0 HZ2 LYS A 56 25.293 -9.674 6.170 1.00 43.31 H new ATOM 0 HZ3 LYS A 56 24.963 -8.198 6.941 1.00 43.31 H new ATOM 974 N ARG A 57 18.747 -7.664 2.426 1.00 61.54 N ATOM 975 CA ARG A 57 17.344 -8.053 2.493 1.00 73.54 C ATOM 976 C ARG A 57 17.037 -9.159 1.487 1.00 64.50 C ATOM 977 O ARG A 57 16.264 -10.073 1.771 1.00 63.31 O ATOM 978 CB ARG A 57 16.444 -6.845 2.227 1.00 2.14 C ATOM 979 CG ARG A 57 16.857 -5.599 2.994 1.00 53.23 C ATOM 980 CD ARG A 57 15.710 -5.055 3.832 1.00 40.15 C ATOM 981 NE ARG A 57 14.586 -4.623 3.006 1.00 54.14 N ATOM 982 CZ ARG A 57 14.536 -3.448 2.389 1.00 53.51 C ATOM 983 NH1 ARG A 57 15.542 -2.592 2.504 1.00 54.52 N ATOM 984 NH2 ARG A 57 13.478 -3.127 1.655 1.00 50.43 N ATOM 0 H ARG A 57 18.902 -6.673 2.239 1.00 61.54 H new ATOM 0 HA ARG A 57 17.146 -8.432 3.496 1.00 73.54 H new ATOM 0 HB2 ARG A 57 16.452 -6.624 1.160 1.00 2.14 H new ATOM 0 HB3 ARG A 57 15.418 -7.101 2.492 1.00 2.14 H new ATOM 0 HG2 ARG A 57 17.703 -5.832 3.641 1.00 53.23 H new ATOM 0 HG3 ARG A 57 17.192 -4.834 2.294 1.00 53.23 H new ATOM 0 HD2 ARG A 57 15.374 -5.823 4.529 1.00 40.15 H new ATOM 0 HD3 ARG A 57 16.064 -4.215 4.430 1.00 40.15 H new ATOM 0 HE ARG A 57 13.796 -5.259 2.897 1.00 54.14 H new ATOM 0 HH11 ARG A 57 16.357 -2.835 3.067 1.00 54.52 H new ATOM 0 HH12 ARG A 57 15.501 -1.690 2.029 1.00 54.52 H new ATOM 0 HH21 ARG A 57 12.702 -3.783 1.564 1.00 50.43 H new ATOM 0 HH22 ARG A 57 13.441 -2.224 1.182 1.00 50.43 H new ATOM 998 N ASN A 58 17.649 -9.068 0.311 1.00 62.54 N ATOM 999 CA ASN A 58 17.441 -10.061 -0.738 1.00 0.31 C ATOM 1000 C ASN A 58 18.022 -11.412 -0.332 1.00 1.45 C ATOM 1001 O ASN A 58 17.341 -12.435 -0.391 1.00 73.21 O ATOM 1002 CB ASN A 58 18.079 -9.591 -2.047 1.00 21.41 C ATOM 1003 CG ASN A 58 17.139 -8.737 -2.875 1.00 13.34 C ATOM 1004 OD1 ASN A 58 15.954 -9.045 -3.004 1.00 13.52 O ATOM 1005 ND2 ASN A 58 17.665 -7.657 -3.440 1.00 54.54 N ATOM 0 H ASN A 58 18.293 -8.318 0.060 1.00 62.54 H new ATOM 0 HA ASN A 58 16.367 -10.178 -0.886 1.00 0.31 H new ATOM 0 HB2 ASN A 58 18.981 -9.022 -1.824 1.00 21.41 H new ATOM 0 HB3 ASN A 58 18.386 -10.459 -2.631 1.00 21.41 H new ATOM 0 HD21 ASN A 58 17.081 -7.043 -4.008 1.00 54.54 H new ATOM 0 HD22 ASN A 58 18.653 -7.441 -3.306 1.00 54.54 H new ATOM 1012 N ASP A 59 19.285 -11.406 0.082 1.00 54.03 N ATOM 1013 CA ASP A 59 19.958 -12.630 0.500 1.00 74.21 C ATOM 1014 C ASP A 59 19.164 -13.341 1.591 1.00 33.23 C ATOM 1015 O ASP A 59 18.849 -14.526 1.473 1.00 23.43 O ATOM 1016 CB ASP A 59 21.368 -12.316 1.000 1.00 24.54 C ATOM 1017 CG ASP A 59 22.139 -13.566 1.379 1.00 5.42 C ATOM 1018 OD1 ASP A 59 22.708 -14.210 0.473 1.00 44.11 O ATOM 1019 OD2 ASP A 59 22.175 -13.899 2.582 1.00 12.41 O ATOM 0 H ASP A 59 19.863 -10.567 0.137 1.00 54.03 H new ATOM 0 HA ASP A 59 20.026 -13.291 -0.364 1.00 74.21 H new ATOM 0 HB2 ASP A 59 21.913 -11.777 0.225 1.00 24.54 H new ATOM 0 HB3 ASP A 59 21.305 -11.655 1.864 1.00 24.54 H new ATOM 1024 N LEU A 60 18.843 -12.611 2.654 1.00 43.14 N ATOM 1025 CA LEU A 60 18.086 -13.172 3.768 1.00 45.43 C ATOM 1026 C LEU A 60 16.753 -13.737 3.290 1.00 31.31 C ATOM 1027 O LEU A 60 16.300 -14.777 3.769 1.00 14.02 O ATOM 1028 CB LEU A 60 17.847 -12.103 4.836 1.00 20.52 C ATOM 1029 CG LEU A 60 19.098 -11.452 5.427 1.00 62.43 C ATOM 1030 CD1 LEU A 60 18.804 -10.023 5.856 1.00 65.33 C ATOM 1031 CD2 LEU A 60 19.620 -12.267 6.601 1.00 33.43 C ATOM 0 H LEU A 60 19.095 -11.629 2.768 1.00 43.14 H new ATOM 0 HA LEU A 60 18.670 -13.985 4.200 1.00 45.43 H new ATOM 0 HB2 LEU A 60 17.224 -11.320 4.404 1.00 20.52 H new ATOM 0 HB3 LEU A 60 17.277 -12.552 5.649 1.00 20.52 H new ATOM 0 HG LEU A 60 19.869 -11.427 4.657 1.00 62.43 H new ATOM 0 HD11 LEU A 60 19.706 -9.576 6.274 1.00 65.33 H new ATOM 0 HD12 LEU A 60 18.479 -9.443 4.992 1.00 65.33 H new ATOM 0 HD13 LEU A 60 18.017 -10.024 6.610 1.00 65.33 H new ATOM 0 HD21 LEU A 60 20.510 -11.789 7.009 1.00 33.43 H new ATOM 0 HD22 LEU A 60 18.853 -12.325 7.373 1.00 33.43 H new ATOM 0 HD23 LEU A 60 19.871 -13.272 6.263 1.00 33.43 H new ATOM 1043 N LYS A 61 16.129 -13.047 2.341 1.00 23.31 N ATOM 1044 CA LYS A 61 14.849 -13.482 1.795 1.00 41.52 C ATOM 1045 C LYS A 61 14.953 -14.890 1.218 1.00 43.45 C ATOM 1046 O LYS A 61 14.197 -15.785 1.596 1.00 4.41 O ATOM 1047 CB LYS A 61 14.377 -12.509 0.712 1.00 40.41 C ATOM 1048 CG LYS A 61 13.451 -11.423 1.232 1.00 52.24 C ATOM 1049 CD LYS A 61 12.641 -10.796 0.109 1.00 44.22 C ATOM 1050 CE LYS A 61 13.374 -9.619 -0.516 1.00 42.34 C ATOM 1051 NZ LYS A 61 12.469 -8.783 -1.353 1.00 62.23 N ATOM 0 H LYS A 61 16.489 -12.184 1.934 1.00 23.31 H new ATOM 0 HA LYS A 61 14.122 -13.494 2.607 1.00 41.52 H new ATOM 0 HB2 LYS A 61 15.247 -12.042 0.250 1.00 40.41 H new ATOM 0 HB3 LYS A 61 13.863 -13.069 -0.069 1.00 40.41 H new ATOM 0 HG2 LYS A 61 12.776 -11.845 1.977 1.00 52.24 H new ATOM 0 HG3 LYS A 61 14.037 -10.653 1.733 1.00 52.24 H new ATOM 0 HD2 LYS A 61 12.435 -11.546 -0.655 1.00 44.22 H new ATOM 0 HD3 LYS A 61 11.678 -10.463 0.496 1.00 44.22 H new ATOM 0 HE2 LYS A 61 13.812 -9.005 0.271 1.00 42.34 H new ATOM 0 HE3 LYS A 61 14.197 -9.987 -1.128 1.00 42.34 H new ATOM 0 HZ1 LYS A 61 12.980 -8.457 -2.198 1.00 62.23 H new ATOM 0 HZ2 LYS A 61 11.645 -9.347 -1.644 1.00 62.23 H new ATOM 0 HZ3 LYS A 61 12.149 -7.961 -0.803 1.00 62.23 H new ATOM 1065 N LYS A 62 15.895 -15.080 0.300 1.00 4.31 N ATOM 1066 CA LYS A 62 16.101 -16.379 -0.328 1.00 23.40 C ATOM 1067 C LYS A 62 16.312 -17.464 0.723 1.00 25.32 C ATOM 1068 O LYS A 62 15.787 -18.571 0.602 1.00 21.24 O ATOM 1069 CB LYS A 62 17.305 -16.328 -1.272 1.00 12.22 C ATOM 1070 CG LYS A 62 17.154 -15.316 -2.395 1.00 23.04 C ATOM 1071 CD LYS A 62 18.373 -14.415 -2.501 1.00 24.23 C ATOM 1072 CE LYS A 62 18.161 -13.308 -3.521 1.00 50.33 C ATOM 1073 NZ LYS A 62 19.381 -12.471 -3.694 1.00 33.01 N ATOM 0 H LYS A 62 16.528 -14.350 -0.026 1.00 4.31 H new ATOM 0 HA LYS A 62 15.207 -16.622 -0.902 1.00 23.40 H new ATOM 0 HB2 LYS A 62 18.198 -16.088 -0.695 1.00 12.22 H new ATOM 0 HB3 LYS A 62 17.460 -17.317 -1.704 1.00 12.22 H new ATOM 0 HG2 LYS A 62 17.004 -15.839 -3.339 1.00 23.04 H new ATOM 0 HG3 LYS A 62 16.266 -14.709 -2.222 1.00 23.04 H new ATOM 0 HD2 LYS A 62 18.589 -13.977 -1.527 1.00 24.23 H new ATOM 0 HD3 LYS A 62 19.242 -15.009 -2.783 1.00 24.23 H new ATOM 0 HE2 LYS A 62 17.882 -13.746 -4.479 1.00 50.33 H new ATOM 0 HE3 LYS A 62 17.330 -12.677 -3.205 1.00 50.33 H new ATOM 0 HZ1 LYS A 62 19.145 -11.624 -4.249 1.00 33.01 H new ATOM 0 HZ2 LYS A 62 19.741 -12.184 -2.761 1.00 33.01 H new ATOM 0 HZ3 LYS A 62 20.110 -13.019 -4.193 1.00 33.01 H new ATOM 1087 N LYS A 63 17.084 -17.140 1.755 1.00 14.54 N ATOM 1088 CA LYS A 63 17.362 -18.085 2.830 1.00 4.31 C ATOM 1089 C LYS A 63 16.087 -18.437 3.589 1.00 21.21 C ATOM 1090 O LYS A 63 15.942 -19.550 4.095 1.00 42.41 O ATOM 1091 CB LYS A 63 18.398 -17.501 3.794 1.00 34.34 C ATOM 1092 CG LYS A 63 18.867 -18.486 4.851 1.00 3.02 C ATOM 1093 CD LYS A 63 19.598 -17.783 5.983 1.00 61.02 C ATOM 1094 CE LYS A 63 18.626 -17.208 7.002 1.00 62.50 C ATOM 1095 NZ LYS A 63 17.804 -18.271 7.645 1.00 5.11 N ATOM 0 H LYS A 63 17.529 -16.229 1.869 1.00 14.54 H new ATOM 0 HA LYS A 63 17.761 -18.996 2.385 1.00 4.31 H new ATOM 0 HB2 LYS A 63 19.260 -17.156 3.223 1.00 34.34 H new ATOM 0 HB3 LYS A 63 17.972 -16.627 4.287 1.00 34.34 H new ATOM 0 HG2 LYS A 63 18.010 -19.027 5.251 1.00 3.02 H new ATOM 0 HG3 LYS A 63 19.526 -19.225 4.395 1.00 3.02 H new ATOM 0 HD2 LYS A 63 20.270 -18.486 6.476 1.00 61.02 H new ATOM 0 HD3 LYS A 63 20.216 -16.983 5.577 1.00 61.02 H new ATOM 0 HE2 LYS A 63 19.181 -16.665 7.767 1.00 62.50 H new ATOM 0 HE3 LYS A 63 17.970 -16.488 6.513 1.00 62.50 H new ATOM 0 HZ1 LYS A 63 17.864 -18.178 8.679 1.00 5.11 H new ATOM 0 HZ2 LYS A 63 16.813 -18.172 7.346 1.00 5.11 H new ATOM 0 HZ3 LYS A 63 18.160 -19.206 7.360 1.00 5.11 H new ATOM 1109 N ALA A 64 15.165 -17.483 3.663 1.00 30.01 N ATOM 1110 CA ALA A 64 13.901 -17.695 4.357 1.00 12.41 C ATOM 1111 C ALA A 64 12.899 -18.419 3.464 1.00 10.04 C ATOM 1112 O ALA A 64 11.732 -18.578 3.825 1.00 20.21 O ATOM 1113 CB ALA A 64 13.328 -16.366 4.827 1.00 53.43 C ATOM 0 H ALA A 64 15.270 -16.556 3.251 1.00 30.01 H new ATOM 0 HA ALA A 64 14.093 -18.323 5.227 1.00 12.41 H new ATOM 0 HB1 ALA A 64 12.384 -16.539 5.344 1.00 53.43 H new ATOM 0 HB2 ALA A 64 14.032 -15.887 5.508 1.00 53.43 H new ATOM 0 HB3 ALA A 64 13.157 -15.719 3.967 1.00 53.43 H new ATOM 1119 N LEU A 65 13.361 -18.855 2.298 1.00 71.42 N ATOM 1120 CA LEU A 65 12.504 -19.563 1.352 1.00 25.02 C ATOM 1121 C LEU A 65 11.479 -18.618 0.734 1.00 70.21 C ATOM 1122 O LEU A 65 10.367 -19.027 0.396 1.00 10.42 O ATOM 1123 CB LEU A 65 11.791 -20.723 2.049 1.00 1.11 C ATOM 1124 CG LEU A 65 12.639 -21.548 3.018 1.00 44.14 C ATOM 1125 CD1 LEU A 65 11.751 -22.367 3.941 1.00 50.10 C ATOM 1126 CD2 LEU A 65 13.594 -22.453 2.252 1.00 3.35 C ATOM 0 H LEU A 65 14.324 -18.731 1.984 1.00 71.42 H new ATOM 0 HA LEU A 65 13.133 -19.958 0.555 1.00 25.02 H new ATOM 0 HB2 LEU A 65 10.937 -20.322 2.596 1.00 1.11 H new ATOM 0 HB3 LEU A 65 11.395 -21.392 1.285 1.00 1.11 H new ATOM 0 HG LEU A 65 13.228 -20.864 3.628 1.00 44.14 H new ATOM 0 HD11 LEU A 65 12.372 -22.947 4.623 1.00 50.10 H new ATOM 0 HD12 LEU A 65 11.108 -21.699 4.515 1.00 50.10 H new ATOM 0 HD13 LEU A 65 11.135 -23.043 3.348 1.00 50.10 H new ATOM 0 HD21 LEU A 65 14.190 -23.033 2.957 1.00 3.35 H new ATOM 0 HD22 LEU A 65 13.023 -23.130 1.617 1.00 3.35 H new ATOM 0 HD23 LEU A 65 14.254 -21.845 1.633 1.00 3.35 H new ATOM 1138 N LEU A 66 11.860 -17.354 0.586 1.00 23.33 N ATOM 1139 CA LEU A 66 10.975 -16.351 0.006 1.00 53.21 C ATOM 1140 C LEU A 66 11.148 -16.282 -1.508 1.00 2.31 C ATOM 1141 O LEU A 66 10.201 -15.994 -2.239 1.00 75.35 O ATOM 1142 CB LEU A 66 11.250 -14.980 0.625 1.00 2.54 C ATOM 1143 CG LEU A 66 10.327 -14.563 1.771 1.00 51.32 C ATOM 1144 CD1 LEU A 66 11.043 -13.608 2.713 1.00 22.24 C ATOM 1145 CD2 LEU A 66 9.057 -13.925 1.227 1.00 72.11 C ATOM 0 H LEU A 66 12.776 -17.000 0.860 1.00 23.33 H new ATOM 0 HA LEU A 66 9.947 -16.641 0.223 1.00 53.21 H new ATOM 0 HB2 LEU A 66 12.277 -14.968 0.990 1.00 2.54 H new ATOM 0 HB3 LEU A 66 11.182 -14.228 -0.161 1.00 2.54 H new ATOM 0 HG LEU A 66 10.051 -15.456 2.332 1.00 51.32 H new ATOM 0 HD11 LEU A 66 10.371 -13.322 3.522 1.00 22.24 H new ATOM 0 HD12 LEU A 66 11.923 -14.099 3.129 1.00 22.24 H new ATOM 0 HD13 LEU A 66 11.349 -12.717 2.164 1.00 22.24 H new ATOM 0 HD21 LEU A 66 8.412 -13.634 2.056 1.00 72.11 H new ATOM 0 HD22 LEU A 66 9.315 -13.043 0.642 1.00 72.11 H new ATOM 0 HD23 LEU A 66 8.533 -14.640 0.593 1.00 72.11 H new ATOM 1157 N PHE A 67 12.364 -16.549 -1.972 1.00 25.13 N ATOM 1158 CA PHE A 67 12.662 -16.519 -3.399 1.00 2.40 C ATOM 1159 C PHE A 67 12.921 -17.925 -3.931 1.00 24.23 C ATOM 1160 O PHE A 67 14.064 -18.299 -4.193 1.00 71.01 O ATOM 1161 CB PHE A 67 13.876 -15.627 -3.669 1.00 62.33 C ATOM 1162 CG PHE A 67 13.602 -14.164 -3.471 1.00 34.02 C ATOM 1163 CD1 PHE A 67 12.310 -13.711 -3.252 1.00 63.44 C ATOM 1164 CD2 PHE A 67 14.635 -13.241 -3.502 1.00 74.30 C ATOM 1165 CE1 PHE A 67 12.055 -12.365 -3.070 1.00 71.43 C ATOM 1166 CE2 PHE A 67 14.385 -11.894 -3.320 1.00 43.11 C ATOM 1167 CZ PHE A 67 13.094 -11.456 -3.103 1.00 13.31 C ATOM 0 H PHE A 67 13.159 -16.789 -1.380 1.00 25.13 H new ATOM 0 HA PHE A 67 11.795 -16.108 -3.917 1.00 2.40 H new ATOM 0 HB2 PHE A 67 14.691 -15.928 -3.011 1.00 62.33 H new ATOM 0 HB3 PHE A 67 14.216 -15.789 -4.692 1.00 62.33 H new ATOM 0 HD1 PHE A 67 11.494 -14.418 -3.223 1.00 63.44 H new ATOM 0 HD2 PHE A 67 15.647 -13.578 -3.670 1.00 74.30 H new ATOM 0 HE1 PHE A 67 11.044 -12.024 -2.902 1.00 71.43 H new ATOM 0 HE2 PHE A 67 15.199 -11.185 -3.348 1.00 43.11 H new ATOM 0 HZ PHE A 67 12.897 -10.404 -2.959 1.00 13.31 H new