USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 14 ASN : amide:sc= 0.558 K(o=0.56,f=-3.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 66:sc= 0.0448 USER MOD Single : A 23 SER OG : rot -81:sc= 1.14 USER MOD Single : A 24 THR OG1 : rot 76:sc= 0.479 USER MOD Single : A 30 ASN : amide:sc= 1.26 K(o=1.3,f=-0.08) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.341 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.19) USER MOD Single : A 52 ASN : amide:sc=-0.00918 K(o=-0.0092,f=-0.88) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.462 K(o=0.46,f=-0.065) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc=-0.00432 X(o=-0.0043,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 177:sc= 1.12 (180deg=1.11) USER MOD Single : A 67 MET CE :methyl -166:sc= -0.329 (180deg=-0.531) USER MOD Single : A 69 THR OG1 : rot -71:sc= 1.11 USER MOD Single : A 82 ASN : amide:sc= 0.0534 K(o=0.053,f=-3.1!) USER MOD Single : A 83 MET CE :methyl -169:sc= -0.637 (180deg=-1.12) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -1.827 -7.228 -2.579 0.49 5.62 N ATOM 2 CA ASN A 14 -2.004 -6.092 -3.508 0.49 4.52 C ATOM 3 C ASN A 14 -0.834 -5.124 -3.344 0.49 3.46 C ATOM 4 O ASN A 14 -0.518 -4.790 -2.204 0.49 3.59 O ATOM 5 CB ASN A 14 -3.354 -5.384 -3.295 0.49 5.17 C ATOM 6 CG ASN A 14 -3.601 -4.319 -4.358 0.49 4.59 C ATOM 7 OD1 ASN A 14 -3.365 -3.136 -4.153 0.49 4.04 O ATOM 8 ND2 ASN A 14 -4.039 -4.700 -5.536 0.49 5.27 N ATOM 0 HA ASN A 14 -2.014 -6.472 -4.530 0.49 4.52 H new ATOM 0 HB2 ASN A 14 -4.159 -6.118 -3.320 0.49 5.17 H new ATOM 0 HB3 ASN A 14 -3.373 -4.924 -2.307 0.49 5.17 H new ATOM 0 HD21 ASN A 14 -4.181 -4.011 -6.275 0.49 5.27 H new ATOM 0 HD22 ASN A 14 -4.237 -5.685 -5.712 0.49 5.27 H new ATOM 15 N PRO A 15 -0.155 -4.707 -4.429 0.49 2.56 N ATOM 16 CA PRO A 15 1.073 -3.913 -4.354 0.49 2.01 C ATOM 17 C PRO A 15 0.820 -2.437 -3.999 0.49 2.07 C ATOM 18 O PRO A 15 -0.315 -1.960 -4.030 0.49 2.68 O ATOM 19 CB PRO A 15 1.717 -4.073 -5.736 0.49 1.58 C ATOM 20 CG PRO A 15 0.518 -4.234 -6.666 0.49 1.63 C ATOM 21 CD PRO A 15 -0.449 -5.051 -5.815 0.49 2.29 C ATOM 0 HA PRO A 15 1.722 -4.261 -3.550 0.49 2.01 H new ATOM 0 HB2 PRO A 15 2.319 -3.204 -6.002 0.49 1.58 H new ATOM 0 HB3 PRO A 15 2.376 -4.941 -5.775 0.49 1.58 H new ATOM 0 HG2 PRO A 15 0.094 -3.272 -6.952 0.49 1.63 H new ATOM 0 HG3 PRO A 15 0.785 -4.751 -7.587 0.49 1.63 H new ATOM 0 HD2 PRO A 15 -1.483 -4.815 -6.065 0.49 2.29 H new ATOM 0 HD3 PRO A 15 -0.315 -6.119 -5.989 0.49 2.29 H new ATOM 29 N CYS A 16 1.893 -1.699 -3.689 1.00 1.71 N ATOM 30 CA CYS A 16 1.859 -0.257 -3.444 1.00 1.86 C ATOM 31 C CYS A 16 2.745 0.501 -4.452 1.00 1.69 C ATOM 32 O CYS A 16 3.928 0.761 -4.200 1.00 1.55 O ATOM 33 CB CYS A 16 2.247 -0.016 -1.980 1.00 1.98 C ATOM 34 SG CYS A 16 1.304 1.320 -1.230 1.00 1.41 S ATOM 0 H CYS A 16 2.827 -2.099 -3.600 1.00 1.71 H new ATOM 0 HA CYS A 16 0.856 0.140 -3.601 1.00 1.86 H new ATOM 0 HB2 CYS A 16 2.090 -0.932 -1.410 1.00 1.98 H new ATOM 0 HB3 CYS A 16 3.310 0.217 -1.923 1.00 1.98 H new ATOM 39 N LEU A 17 2.181 0.837 -5.619 1.00 1.82 N ATOM 40 CA LEU A 17 2.938 1.332 -6.783 1.00 1.84 C ATOM 41 C LEU A 17 3.677 2.661 -6.529 1.00 1.99 C ATOM 42 O LEU A 17 4.646 2.980 -7.222 1.00 1.97 O ATOM 43 CB LEU A 17 1.996 1.454 -8.003 1.00 2.04 C ATOM 44 CG LEU A 17 1.861 0.204 -8.896 1.00 1.88 C ATOM 45 CD1 LEU A 17 3.161 -0.108 -9.642 1.00 2.00 C ATOM 46 CD2 LEU A 17 1.444 -1.048 -8.127 1.00 2.52 C ATOM 0 H LEU A 17 1.177 0.773 -5.787 1.00 1.82 H new ATOM 0 HA LEU A 17 3.718 0.598 -6.984 1.00 1.84 H new ATOM 0 HB2 LEU A 17 1.004 1.724 -7.642 1.00 2.04 H new ATOM 0 HB3 LEU A 17 2.346 2.280 -8.623 1.00 2.04 H new ATOM 0 HG LEU A 17 1.072 0.457 -9.604 1.00 1.88 H new ATOM 0 HD11 LEU A 17 3.022 -0.996 -10.259 1.00 2.00 H new ATOM 0 HD12 LEU A 17 3.428 0.737 -10.276 1.00 2.00 H new ATOM 0 HD13 LEU A 17 3.959 -0.288 -8.922 1.00 2.00 H new ATOM 0 HD21 LEU A 17 1.368 -1.889 -8.816 1.00 2.52 H new ATOM 0 HD22 LEU A 17 2.189 -1.271 -7.363 1.00 2.52 H new ATOM 0 HD23 LEU A 17 0.477 -0.879 -7.653 1.00 2.52 H new ATOM 58 N SER A 18 3.260 3.430 -5.524 1.00 2.25 N ATOM 59 CA SER A 18 3.937 4.653 -5.071 1.00 2.51 C ATOM 60 C SER A 18 5.323 4.383 -4.493 1.00 2.11 C ATOM 61 O SER A 18 6.285 5.081 -4.816 1.00 2.10 O ATOM 62 CB SER A 18 3.118 5.308 -3.963 1.00 3.07 C ATOM 63 OG SER A 18 1.866 5.744 -4.454 1.00 3.38 O ATOM 0 H SER A 18 2.420 3.217 -4.986 1.00 2.25 H new ATOM 0 HA SER A 18 4.035 5.292 -5.949 1.00 2.51 H new ATOM 0 HB2 SER A 18 2.967 4.599 -3.149 1.00 3.07 H new ATOM 0 HB3 SER A 18 3.667 6.155 -3.551 1.00 3.07 H new ATOM 0 HG SER A 18 1.356 6.159 -3.727 1.00 3.38 H new ATOM 69 N GLU A 19 5.431 3.364 -3.641 1.00 1.92 N ATOM 70 CA GLU A 19 6.709 2.935 -3.074 1.00 1.68 C ATOM 71 C GLU A 19 7.474 2.061 -4.081 1.00 1.37 C ATOM 72 O GLU A 19 8.706 2.081 -4.087 1.00 1.31 O ATOM 73 CB GLU A 19 6.490 2.205 -1.738 1.00 1.83 C ATOM 74 CG GLU A 19 5.673 2.982 -0.686 1.00 2.12 C ATOM 75 CD GLU A 19 6.250 4.359 -0.315 1.00 1.97 C ATOM 76 OE1 GLU A 19 7.480 4.501 -0.112 1.00 2.63 O ATOM 77 OE2 GLU A 19 5.471 5.331 -0.180 1.00 2.33 O ATOM 0 H GLU A 19 4.634 2.812 -3.324 1.00 1.92 H new ATOM 0 HA GLU A 19 7.318 3.816 -2.869 1.00 1.68 H new ATOM 0 HB2 GLU A 19 5.986 1.259 -1.938 1.00 1.83 H new ATOM 0 HB3 GLU A 19 7.464 1.964 -1.311 1.00 1.83 H new ATOM 0 HG2 GLU A 19 4.658 3.117 -1.061 1.00 2.12 H new ATOM 0 HG3 GLU A 19 5.601 2.377 0.218 1.00 2.12 H new ATOM 84 N SER A 20 6.775 1.359 -4.988 1.00 1.30 N ATOM 85 CA SER A 20 7.437 0.613 -6.079 1.00 1.25 C ATOM 86 C SER A 20 8.206 1.538 -7.034 1.00 1.31 C ATOM 87 O SER A 20 9.408 1.350 -7.216 1.00 1.27 O ATOM 88 CB SER A 20 6.461 -0.248 -6.888 1.00 1.37 C ATOM 89 OG SER A 20 5.769 -1.169 -6.063 1.00 2.29 O ATOM 0 H SER A 20 5.757 1.290 -4.991 1.00 1.30 H new ATOM 0 HA SER A 20 8.145 -0.048 -5.580 1.00 1.25 H new ATOM 0 HB2 SER A 20 5.743 0.395 -7.397 1.00 1.37 H new ATOM 0 HB3 SER A 20 7.007 -0.790 -7.660 1.00 1.37 H new ATOM 0 HG SER A 20 5.190 -0.680 -5.442 1.00 2.29 H new ATOM 95 N ASP A 21 7.568 2.577 -7.590 1.00 1.49 N ATOM 96 CA ASP A 21 8.239 3.498 -8.523 1.00 1.62 C ATOM 97 C ASP A 21 9.392 4.246 -7.837 1.00 1.53 C ATOM 98 O ASP A 21 10.512 4.268 -8.348 1.00 1.56 O ATOM 99 CB ASP A 21 7.208 4.475 -9.115 1.00 1.82 C ATOM 100 CG ASP A 21 7.817 5.521 -10.060 1.00 2.07 C ATOM 101 OD1 ASP A 21 8.472 5.152 -11.064 1.00 2.35 O ATOM 102 OD2 ASP A 21 7.576 6.731 -9.844 1.00 3.22 O ATOM 0 H ASP A 21 6.589 2.802 -7.411 1.00 1.49 H new ATOM 0 HA ASP A 21 8.677 2.918 -9.335 1.00 1.62 H new ATOM 0 HB2 ASP A 21 6.452 3.907 -9.656 1.00 1.82 H new ATOM 0 HB3 ASP A 21 6.698 4.988 -8.300 1.00 1.82 H new ATOM 107 N ALA A 22 9.153 4.799 -6.644 1.00 1.45 N ATOM 108 CA ALA A 22 10.158 5.580 -5.929 1.00 1.41 C ATOM 109 C ALA A 22 11.340 4.722 -5.421 1.00 1.27 C ATOM 110 O ALA A 22 12.487 5.172 -5.471 1.00 1.32 O ATOM 111 CB ALA A 22 9.448 6.366 -4.824 1.00 1.40 C ATOM 0 H ALA A 22 8.263 4.717 -6.152 1.00 1.45 H new ATOM 0 HA ALA A 22 10.632 6.284 -6.614 1.00 1.41 H new ATOM 0 HB1 ALA A 22 10.178 6.959 -4.273 1.00 1.40 H new ATOM 0 HB2 ALA A 22 8.704 7.027 -5.268 1.00 1.40 H new ATOM 0 HB3 ALA A 22 8.956 5.672 -4.143 1.00 1.40 H new ATOM 117 N SER A 23 11.107 3.465 -5.010 1.00 1.11 N ATOM 118 CA SER A 23 12.200 2.524 -4.705 1.00 0.96 C ATOM 119 C SER A 23 13.013 2.176 -5.950 1.00 1.06 C ATOM 120 O SER A 23 14.240 2.221 -5.888 1.00 1.09 O ATOM 121 CB SER A 23 11.724 1.238 -4.018 1.00 0.79 C ATOM 122 OG SER A 23 10.813 0.510 -4.813 1.00 2.12 O ATOM 0 H SER A 23 10.173 3.076 -4.881 1.00 1.11 H new ATOM 0 HA SER A 23 12.840 3.051 -3.998 1.00 0.96 H new ATOM 0 HB2 SER A 23 12.586 0.610 -3.790 1.00 0.79 H new ATOM 0 HB3 SER A 23 11.253 1.490 -3.068 1.00 0.79 H new ATOM 0 HG SER A 23 9.918 0.898 -4.723 1.00 2.12 H new ATOM 128 N THR A 24 12.375 1.920 -7.099 1.00 1.17 N ATOM 129 CA THR A 24 13.096 1.682 -8.363 1.00 1.31 C ATOM 130 C THR A 24 13.944 2.894 -8.758 1.00 1.49 C ATOM 131 O THR A 24 15.117 2.734 -9.091 1.00 1.55 O ATOM 132 CB THR A 24 12.122 1.316 -9.488 1.00 1.41 C ATOM 133 OG1 THR A 24 11.393 0.176 -9.105 1.00 1.32 O ATOM 134 CG2 THR A 24 12.826 0.956 -10.795 1.00 1.53 C ATOM 0 H THR A 24 11.360 1.872 -7.183 1.00 1.17 H new ATOM 0 HA THR A 24 13.769 0.840 -8.204 1.00 1.31 H new ATOM 0 HB THR A 24 11.495 2.192 -9.652 1.00 1.41 H new ATOM 0 HG1 THR A 24 10.715 0.428 -8.444 1.00 1.32 H new ATOM 0 HG21 THR A 24 12.082 0.707 -11.552 1.00 1.53 H new ATOM 0 HG22 THR A 24 13.419 1.805 -11.135 1.00 1.53 H new ATOM 0 HG23 THR A 24 13.480 0.099 -10.632 1.00 1.53 H new ATOM 142 N ARG A 25 13.407 4.117 -8.628 1.00 1.61 N ATOM 143 CA ARG A 25 14.145 5.377 -8.839 1.00 1.80 C ATOM 144 C ARG A 25 15.350 5.496 -7.893 1.00 1.70 C ATOM 145 O ARG A 25 16.443 5.850 -8.356 1.00 1.82 O ATOM 146 CB ARG A 25 13.188 6.581 -8.682 1.00 1.94 C ATOM 147 CG ARG A 25 12.588 7.170 -9.975 1.00 2.08 C ATOM 148 CD ARG A 25 11.659 6.269 -10.807 1.00 2.44 C ATOM 149 NE ARG A 25 12.387 5.386 -11.739 1.00 3.13 N ATOM 150 CZ ARG A 25 11.913 4.313 -12.349 1.00 4.57 C ATOM 151 NH1 ARG A 25 10.701 3.878 -12.154 1.00 5.29 N ATOM 152 NH2 ARG A 25 12.662 3.653 -13.185 1.00 5.86 N ATOM 0 H ARG A 25 12.431 4.263 -8.369 1.00 1.61 H new ATOM 0 HA ARG A 25 14.541 5.374 -9.855 1.00 1.80 H new ATOM 0 HB2 ARG A 25 12.366 6.278 -8.034 1.00 1.94 H new ATOM 0 HB3 ARG A 25 13.725 7.376 -8.165 1.00 1.94 H new ATOM 0 HG2 ARG A 25 12.032 8.069 -9.708 1.00 2.08 H new ATOM 0 HG3 ARG A 25 13.413 7.483 -10.615 1.00 2.08 H new ATOM 0 HD2 ARG A 25 11.057 5.659 -10.134 1.00 2.44 H new ATOM 0 HD3 ARG A 25 10.969 6.894 -11.373 1.00 2.44 H new ATOM 0 HE ARG A 25 13.358 5.629 -11.933 1.00 3.13 H new ATOM 0 HH11 ARG A 25 10.080 4.369 -11.511 1.00 5.29 H new ATOM 0 HH12 ARG A 25 10.373 3.046 -12.644 1.00 5.29 H new ATOM 0 HH21 ARG A 25 13.616 3.964 -13.370 1.00 5.86 H new ATOM 0 HH22 ARG A 25 12.295 2.825 -13.655 1.00 5.86 H new ATOM 166 N CYS A 26 15.191 5.186 -6.599 1.00 1.52 N ATOM 167 CA CYS A 26 16.297 5.163 -5.630 1.00 1.47 C ATOM 168 C CYS A 26 17.393 4.175 -6.056 1.00 1.45 C ATOM 169 O CYS A 26 18.569 4.522 -6.139 1.00 1.62 O ATOM 170 CB CYS A 26 15.789 4.818 -4.211 1.00 1.28 C ATOM 171 SG CYS A 26 17.142 4.457 -3.039 1.00 1.25 S ATOM 0 H CYS A 26 14.288 4.943 -6.192 1.00 1.52 H new ATOM 0 HA CYS A 26 16.729 6.164 -5.608 1.00 1.47 H new ATOM 0 HB2 CYS A 26 15.198 5.651 -3.830 1.00 1.28 H new ATOM 0 HB3 CYS A 26 15.125 3.955 -4.268 1.00 1.28 H new ATOM 176 N LEU A 27 17.010 2.935 -6.335 1.00 1.31 N ATOM 177 CA LEU A 27 17.934 1.829 -6.596 1.00 1.29 C ATOM 178 C LEU A 27 18.726 2.017 -7.891 1.00 1.47 C ATOM 179 O LEU A 27 19.933 1.772 -7.930 1.00 1.59 O ATOM 180 CB LEU A 27 17.088 0.554 -6.610 1.00 1.17 C ATOM 181 CG LEU A 27 16.982 -0.074 -5.216 1.00 1.06 C ATOM 182 CD1 LEU A 27 16.727 0.834 -4.013 1.00 1.07 C ATOM 183 CD2 LEU A 27 15.883 -1.134 -5.238 1.00 1.00 C ATOM 0 H LEU A 27 16.029 2.661 -6.388 1.00 1.31 H new ATOM 0 HA LEU A 27 18.697 1.778 -5.819 1.00 1.29 H new ATOM 0 HB2 LEU A 27 16.090 0.784 -6.982 1.00 1.17 H new ATOM 0 HB3 LEU A 27 17.527 -0.166 -7.301 1.00 1.17 H new ATOM 0 HG LEU A 27 17.989 -0.455 -5.047 1.00 1.06 H new ATOM 0 HD11 LEU A 27 16.680 0.231 -3.106 1.00 1.07 H new ATOM 0 HD12 LEU A 27 17.537 1.558 -3.926 1.00 1.07 H new ATOM 0 HD13 LEU A 27 15.782 1.360 -4.148 1.00 1.07 H new ATOM 0 HD21 LEU A 27 15.797 -1.589 -4.251 1.00 1.00 H new ATOM 0 HD22 LEU A 27 14.935 -0.669 -5.507 1.00 1.00 H new ATOM 0 HD23 LEU A 27 16.132 -1.901 -5.971 1.00 1.00 H new ATOM 195 N ASP A 28 18.041 2.528 -8.905 1.00 1.57 N ATOM 196 CA ASP A 28 18.628 3.060 -10.134 1.00 1.82 C ATOM 197 C ASP A 28 19.633 4.199 -9.863 1.00 1.89 C ATOM 198 O ASP A 28 20.727 4.165 -10.426 1.00 1.97 O ATOM 199 CB ASP A 28 17.487 3.512 -11.056 1.00 1.98 C ATOM 200 CG ASP A 28 17.992 4.256 -12.286 1.00 2.25 C ATOM 201 OD1 ASP A 28 18.209 5.483 -12.179 1.00 2.94 O ATOM 202 OD2 ASP A 28 18.139 3.640 -13.370 1.00 2.84 O ATOM 0 H ASP A 28 17.023 2.587 -8.897 1.00 1.57 H new ATOM 0 HA ASP A 28 19.207 2.275 -10.621 1.00 1.82 H new ATOM 0 HB2 ASP A 28 16.913 2.641 -11.372 1.00 1.98 H new ATOM 0 HB3 ASP A 28 16.807 4.157 -10.499 1.00 1.98 H new ATOM 207 N GLU A 29 19.318 5.174 -8.995 1.00 1.91 N ATOM 208 CA GLU A 29 20.266 6.240 -8.609 1.00 2.03 C ATOM 209 C GLU A 29 21.541 5.711 -7.932 1.00 2.01 C ATOM 210 O GLU A 29 22.627 6.236 -8.196 1.00 2.15 O ATOM 211 CB GLU A 29 19.580 7.254 -7.667 1.00 2.04 C ATOM 212 CG GLU A 29 19.305 8.619 -8.324 1.00 2.22 C ATOM 213 CD GLU A 29 20.492 9.595 -8.339 1.00 2.47 C ATOM 214 OE1 GLU A 29 20.636 10.397 -7.378 1.00 2.71 O ATOM 215 OE2 GLU A 29 21.224 9.664 -9.358 1.00 3.42 O ATOM 0 H GLU A 29 18.407 5.249 -8.542 1.00 1.91 H new ATOM 0 HA GLU A 29 20.568 6.722 -9.539 1.00 2.03 H new ATOM 0 HB2 GLU A 29 18.638 6.832 -7.317 1.00 2.04 H new ATOM 0 HB3 GLU A 29 20.208 7.403 -6.789 1.00 2.04 H new ATOM 0 HG2 GLU A 29 18.982 8.450 -9.351 1.00 2.22 H new ATOM 0 HG3 GLU A 29 18.473 9.093 -7.803 1.00 2.22 H new ATOM 222 N ASN A 30 21.425 4.708 -7.053 1.00 1.86 N ATOM 223 CA ASN A 30 22.507 4.264 -6.176 1.00 1.86 C ATOM 224 C ASN A 30 22.689 2.728 -6.122 1.00 1.76 C ATOM 225 O ASN A 30 22.083 2.054 -5.290 1.00 1.98 O ATOM 226 CB ASN A 30 22.286 4.912 -4.793 1.00 1.87 C ATOM 227 CG ASN A 30 20.863 4.886 -4.261 1.00 1.77 C ATOM 228 OD1 ASN A 30 20.228 5.915 -4.065 1.00 1.93 O ATOM 229 ND2 ASN A 30 20.326 3.722 -3.992 1.00 1.58 N ATOM 0 H ASN A 30 20.563 4.177 -6.932 1.00 1.86 H new ATOM 0 HA ASN A 30 23.459 4.598 -6.588 1.00 1.86 H new ATOM 0 HB2 ASN A 30 22.931 4.410 -4.072 1.00 1.87 H new ATOM 0 HB3 ASN A 30 22.614 5.950 -4.845 1.00 1.87 H new ATOM 0 HD21 ASN A 30 19.378 3.672 -3.619 1.00 1.58 H new ATOM 0 HD22 ASN A 30 20.856 2.866 -4.156 1.00 1.58 H new ATOM 236 N ASN A 31 23.582 2.189 -6.959 1.00 1.52 N ATOM 237 CA ASN A 31 24.222 0.856 -6.873 1.00 1.47 C ATOM 238 C ASN A 31 23.285 -0.362 -6.669 1.00 1.50 C ATOM 239 O ASN A 31 23.717 -1.389 -6.125 1.00 1.59 O ATOM 240 CB ASN A 31 25.372 0.901 -5.835 1.00 1.74 C ATOM 241 CG ASN A 31 26.482 1.899 -6.124 1.00 2.98 C ATOM 242 OD1 ASN A 31 26.563 2.521 -7.177 1.00 3.95 O ATOM 243 ND2 ASN A 31 27.385 2.079 -5.194 1.00 3.61 N ATOM 0 H ASN A 31 23.906 2.705 -7.777 1.00 1.52 H new ATOM 0 HA ASN A 31 24.617 0.664 -7.870 1.00 1.47 H new ATOM 0 HB2 ASN A 31 24.946 1.131 -4.858 1.00 1.74 H new ATOM 0 HB3 ASN A 31 25.812 -0.094 -5.764 1.00 1.74 H new ATOM 0 HD21 ASN A 31 28.151 2.734 -5.347 1.00 3.61 H new ATOM 0 HD22 ASN A 31 27.322 1.564 -4.316 1.00 3.61 H new ATOM 250 N TYR A 32 22.003 -0.261 -7.049 1.00 1.53 N ATOM 251 CA TYR A 32 20.948 -1.200 -6.664 1.00 1.53 C ATOM 252 C TYR A 32 20.948 -1.478 -5.144 1.00 1.42 C ATOM 253 O TYR A 32 20.870 -2.622 -4.694 1.00 1.53 O ATOM 254 CB TYR A 32 20.979 -2.441 -7.578 1.00 1.75 C ATOM 255 CG TYR A 32 19.825 -3.426 -7.472 1.00 1.61 C ATOM 256 CD1 TYR A 32 18.676 -3.143 -6.709 1.00 2.50 C ATOM 257 CD2 TYR A 32 19.908 -4.651 -8.160 1.00 2.36 C ATOM 258 CE1 TYR A 32 17.631 -4.073 -6.614 1.00 2.65 C ATOM 259 CE2 TYR A 32 18.861 -5.590 -8.070 1.00 2.69 C ATOM 260 CZ TYR A 32 17.716 -5.301 -7.297 1.00 2.23 C ATOM 261 OH TYR A 32 16.699 -6.198 -7.204 1.00 2.80 O ATOM 0 H TYR A 32 21.667 0.494 -7.646 1.00 1.53 H new ATOM 0 HA TYR A 32 19.971 -0.747 -6.833 1.00 1.53 H new ATOM 0 HB2 TYR A 32 21.032 -2.096 -8.611 1.00 1.75 H new ATOM 0 HB3 TYR A 32 21.903 -2.983 -7.376 1.00 1.75 H new ATOM 0 HD1 TYR A 32 18.599 -2.199 -6.191 1.00 2.50 H new ATOM 0 HD2 TYR A 32 20.778 -4.872 -8.760 1.00 2.36 H new ATOM 0 HE1 TYR A 32 16.760 -3.847 -6.016 1.00 2.65 H new ATOM 0 HE2 TYR A 32 18.935 -6.532 -8.593 1.00 2.69 H new ATOM 0 HH TYR A 32 16.914 -6.993 -7.735 1.00 2.80 H new ATOM 271 N ASP A 33 21.060 -0.423 -4.330 1.00 1.30 N ATOM 272 CA ASP A 33 21.200 -0.498 -2.869 1.00 1.24 C ATOM 273 C ASP A 33 19.841 -0.683 -2.152 1.00 1.05 C ATOM 274 O ASP A 33 19.383 0.113 -1.322 1.00 0.92 O ATOM 275 CB ASP A 33 22.094 0.639 -2.336 1.00 1.33 C ATOM 276 CG ASP A 33 22.840 0.257 -1.050 1.00 1.51 C ATOM 277 OD1 ASP A 33 22.601 -0.845 -0.501 1.00 2.02 O ATOM 278 OD2 ASP A 33 23.709 1.046 -0.604 1.00 2.26 O ATOM 0 H ASP A 33 21.056 0.536 -4.678 1.00 1.30 H new ATOM 0 HA ASP A 33 21.737 -1.412 -2.616 1.00 1.24 H new ATOM 0 HB2 ASP A 33 22.818 0.915 -3.102 1.00 1.33 H new ATOM 0 HB3 ASP A 33 21.480 1.519 -2.146 1.00 1.33 H new ATOM 283 N ARG A 34 19.186 -1.784 -2.531 1.00 1.14 N ATOM 284 CA ARG A 34 17.902 -2.312 -2.038 1.00 1.10 C ATOM 285 C ARG A 34 17.793 -2.444 -0.515 1.00 1.15 C ATOM 286 O ARG A 34 16.682 -2.412 0.005 1.00 1.22 O ATOM 287 CB ARG A 34 17.627 -3.653 -2.746 1.00 1.20 C ATOM 288 CG ARG A 34 18.738 -4.694 -2.533 1.00 1.81 C ATOM 289 CD ARG A 34 18.357 -6.069 -3.095 1.00 2.25 C ATOM 290 NE ARG A 34 19.496 -7.000 -3.029 1.00 3.08 N ATOM 291 CZ ARG A 34 20.109 -7.453 -1.952 1.00 3.89 C ATOM 292 NH1 ARG A 34 19.652 -7.293 -0.748 1.00 4.31 N ATOM 293 NH2 ARG A 34 21.244 -8.073 -2.044 1.00 5.23 N ATOM 0 H ARG A 34 19.573 -2.387 -3.257 1.00 1.14 H new ATOM 0 HA ARG A 34 17.136 -1.576 -2.284 1.00 1.10 H new ATOM 0 HB2 ARG A 34 16.683 -4.060 -2.383 1.00 1.20 H new ATOM 0 HB3 ARG A 34 17.507 -3.474 -3.814 1.00 1.20 H new ATOM 0 HG2 ARG A 34 19.654 -4.349 -3.012 1.00 1.81 H new ATOM 0 HG3 ARG A 34 18.950 -4.785 -1.468 1.00 1.81 H new ATOM 0 HD2 ARG A 34 17.517 -6.476 -2.532 1.00 2.25 H new ATOM 0 HD3 ARG A 34 18.027 -5.965 -4.129 1.00 2.25 H new ATOM 0 HE ARG A 34 19.854 -7.335 -3.923 1.00 3.08 H new ATOM 0 HH11 ARG A 34 18.775 -6.795 -0.597 1.00 4.31 H new ATOM 0 HH12 ARG A 34 20.170 -7.666 0.048 1.00 4.31 H new ATOM 0 HH21 ARG A 34 21.674 -8.216 -2.958 1.00 5.23 H new ATOM 0 HH22 ARG A 34 21.706 -8.418 -1.203 1.00 5.23 H new ATOM 307 N GLU A 35 18.916 -2.531 0.196 1.00 1.21 N ATOM 308 CA GLU A 35 18.963 -2.488 1.666 1.00 1.32 C ATOM 309 C GLU A 35 19.038 -1.050 2.222 1.00 1.28 C ATOM 310 O GLU A 35 18.435 -0.754 3.253 1.00 1.33 O ATOM 311 CB GLU A 35 20.112 -3.356 2.209 1.00 1.49 C ATOM 312 CG GLU A 35 19.880 -4.872 2.068 1.00 1.60 C ATOM 313 CD GLU A 35 18.797 -5.429 3.010 1.00 3.27 C ATOM 314 OE1 GLU A 35 18.933 -5.292 4.256 1.00 4.08 O ATOM 315 OE2 GLU A 35 17.829 -6.062 2.526 1.00 4.70 O ATOM 0 H GLU A 35 19.835 -2.635 -0.234 1.00 1.21 H new ATOM 0 HA GLU A 35 18.020 -2.906 2.019 1.00 1.32 H new ATOM 0 HB2 GLU A 35 21.031 -3.090 1.686 1.00 1.49 H new ATOM 0 HB3 GLU A 35 20.264 -3.120 3.262 1.00 1.49 H new ATOM 0 HG2 GLU A 35 19.600 -5.092 1.038 1.00 1.60 H new ATOM 0 HG3 GLU A 35 20.818 -5.392 2.261 1.00 1.60 H new ATOM 322 N ARG A 36 19.707 -0.107 1.543 1.00 1.29 N ATOM 323 CA ARG A 36 19.720 1.316 1.954 1.00 1.29 C ATOM 324 C ARG A 36 18.451 2.073 1.557 1.00 1.24 C ATOM 325 O ARG A 36 18.217 3.155 2.100 1.00 1.71 O ATOM 326 CB ARG A 36 20.990 2.027 1.462 1.00 1.33 C ATOM 327 CG ARG A 36 22.190 1.859 2.406 1.00 1.50 C ATOM 328 CD ARG A 36 22.580 0.402 2.694 1.00 2.57 C ATOM 329 NE ARG A 36 23.815 0.328 3.485 1.00 2.89 N ATOM 330 CZ ARG A 36 25.040 0.570 3.059 1.00 3.37 C ATOM 331 NH1 ARG A 36 25.333 0.793 1.807 1.00 4.12 N ATOM 332 NH2 ARG A 36 26.005 0.609 3.924 1.00 3.70 N ATOM 0 H ARG A 36 20.251 -0.300 0.702 1.00 1.29 H new ATOM 0 HA ARG A 36 19.735 1.320 3.044 1.00 1.29 H new ATOM 0 HB2 ARG A 36 21.255 1.641 0.478 1.00 1.33 H new ATOM 0 HB3 ARG A 36 20.779 3.089 1.341 1.00 1.33 H new ATOM 0 HG2 ARG A 36 23.049 2.372 1.974 1.00 1.50 H new ATOM 0 HG3 ARG A 36 21.964 2.354 3.350 1.00 1.50 H new ATOM 0 HD2 ARG A 36 21.771 -0.094 3.231 1.00 2.57 H new ATOM 0 HD3 ARG A 36 22.715 -0.134 1.754 1.00 2.57 H new ATOM 0 HE ARG A 36 23.716 0.062 4.465 1.00 2.89 H new ATOM 0 HH11 ARG A 36 24.596 0.786 1.102 1.00 4.12 H new ATOM 0 HH12 ARG A 36 26.299 0.975 1.534 1.00 4.12 H new ATOM 0 HH21 ARG A 36 25.810 0.454 4.913 1.00 3.70 H new ATOM 0 HH22 ARG A 36 26.959 0.795 3.615 1.00 3.70 H new ATOM 346 N CYS A 37 17.623 1.502 0.679 1.00 0.87 N ATOM 347 CA CYS A 37 16.218 1.902 0.477 1.00 0.72 C ATOM 348 C CYS A 37 15.176 0.868 0.996 1.00 0.69 C ATOM 349 O CYS A 37 14.024 0.876 0.559 1.00 0.78 O ATOM 350 CB CYS A 37 16.027 2.399 -0.971 1.00 0.77 C ATOM 351 SG CYS A 37 16.354 4.180 -1.174 1.00 1.05 S ATOM 0 H CYS A 37 17.911 0.733 0.074 1.00 0.87 H new ATOM 0 HA CYS A 37 15.997 2.750 1.125 1.00 0.72 H new ATOM 0 HB2 CYS A 37 16.690 1.838 -1.630 1.00 0.77 H new ATOM 0 HB3 CYS A 37 15.006 2.186 -1.289 1.00 0.77 H new ATOM 356 N SER A 38 15.531 0.022 1.980 1.00 0.76 N ATOM 357 CA SER A 38 14.613 -0.910 2.677 1.00 0.83 C ATOM 358 C SER A 38 13.329 -0.277 3.232 1.00 0.80 C ATOM 359 O SER A 38 12.298 -0.952 3.302 1.00 0.80 O ATOM 360 CB SER A 38 15.319 -1.543 3.879 1.00 1.13 C ATOM 361 OG SER A 38 16.180 -2.586 3.484 1.00 1.85 O ATOM 0 H SER A 38 16.489 -0.037 2.325 1.00 0.76 H new ATOM 0 HA SER A 38 14.334 -1.627 1.905 1.00 0.83 H new ATOM 0 HB2 SER A 38 15.889 -0.781 4.410 1.00 1.13 H new ATOM 0 HB3 SER A 38 14.576 -1.928 4.577 1.00 1.13 H new ATOM 0 HG SER A 38 16.616 -2.967 4.274 1.00 1.85 H new ATOM 367 N THR A 39 13.369 1.005 3.610 1.00 0.85 N ATOM 368 CA THR A 39 12.228 1.751 4.174 1.00 0.89 C ATOM 369 C THR A 39 11.032 1.794 3.212 1.00 0.80 C ATOM 370 O THR A 39 9.883 1.727 3.638 1.00 0.84 O ATOM 371 CB THR A 39 12.656 3.189 4.525 1.00 1.09 C ATOM 372 OG1 THR A 39 13.818 3.177 5.329 1.00 2.43 O ATOM 373 CG2 THR A 39 11.601 3.937 5.325 1.00 2.27 C ATOM 0 H THR A 39 14.214 1.571 3.532 1.00 0.85 H new ATOM 0 HA THR A 39 11.914 1.225 5.076 1.00 0.89 H new ATOM 0 HB THR A 39 12.821 3.685 3.569 1.00 1.09 H new ATOM 0 HG1 THR A 39 14.078 4.098 5.542 1.00 2.43 H new ATOM 0 HG21 THR A 39 11.956 4.944 5.544 1.00 2.27 H new ATOM 0 HG22 THR A 39 10.679 3.995 4.746 1.00 2.27 H new ATOM 0 HG23 THR A 39 11.410 3.409 6.259 1.00 2.27 H new ATOM 381 N TYR A 40 11.289 1.834 1.904 1.00 0.75 N ATOM 382 CA TYR A 40 10.255 1.834 0.867 1.00 0.74 C ATOM 383 C TYR A 40 9.524 0.481 0.831 1.00 0.74 C ATOM 384 O TYR A 40 8.295 0.433 0.838 1.00 0.84 O ATOM 385 CB TYR A 40 10.890 2.126 -0.502 1.00 0.70 C ATOM 386 CG TYR A 40 11.536 3.492 -0.713 1.00 0.72 C ATOM 387 CD1 TYR A 40 12.663 3.897 0.033 1.00 1.96 C ATOM 388 CD2 TYR A 40 11.058 4.330 -1.740 1.00 2.02 C ATOM 389 CE1 TYR A 40 13.292 5.127 -0.230 1.00 1.95 C ATOM 390 CE2 TYR A 40 11.722 5.536 -2.041 1.00 2.11 C ATOM 391 CZ TYR A 40 12.844 5.939 -1.290 1.00 0.92 C ATOM 392 OH TYR A 40 13.511 7.086 -1.593 1.00 1.13 O ATOM 0 H TYR A 40 12.237 1.868 1.529 1.00 0.75 H new ATOM 0 HA TYR A 40 9.528 2.612 1.099 1.00 0.74 H new ATOM 0 HB2 TYR A 40 11.648 1.365 -0.688 1.00 0.70 H new ATOM 0 HB3 TYR A 40 10.119 2.000 -1.262 1.00 0.70 H new ATOM 0 HD1 TYR A 40 13.046 3.256 0.813 1.00 1.96 H new ATOM 0 HD2 TYR A 40 10.179 4.047 -2.299 1.00 2.02 H new ATOM 0 HE1 TYR A 40 14.121 5.450 0.383 1.00 1.95 H new ATOM 0 HE2 TYR A 40 11.369 6.155 -2.852 1.00 2.11 H new ATOM 0 HH TYR A 40 13.074 7.529 -2.350 1.00 1.13 H new ATOM 402 N PHE A 41 10.271 -0.629 0.873 1.00 0.67 N ATOM 403 CA PHE A 41 9.698 -1.979 0.930 1.00 0.74 C ATOM 404 C PHE A 41 8.941 -2.229 2.247 1.00 0.83 C ATOM 405 O PHE A 41 7.901 -2.887 2.242 1.00 0.95 O ATOM 406 CB PHE A 41 10.796 -3.022 0.672 1.00 0.71 C ATOM 407 CG PHE A 41 11.471 -2.871 -0.683 1.00 1.90 C ATOM 408 CD1 PHE A 41 10.737 -3.077 -1.868 1.00 3.07 C ATOM 409 CD2 PHE A 41 12.824 -2.490 -0.765 1.00 3.47 C ATOM 410 CE1 PHE A 41 11.346 -2.885 -3.122 1.00 4.71 C ATOM 411 CE2 PHE A 41 13.436 -2.304 -2.017 1.00 5.14 C ATOM 412 CZ PHE A 41 12.695 -2.495 -3.196 1.00 5.55 C ATOM 0 H PHE A 41 11.291 -0.616 0.868 1.00 0.67 H new ATOM 0 HA PHE A 41 8.952 -2.074 0.141 1.00 0.74 H new ATOM 0 HB2 PHE A 41 11.550 -2.945 1.455 1.00 0.71 H new ATOM 0 HB3 PHE A 41 10.362 -4.019 0.744 1.00 0.71 H new ATOM 0 HD1 PHE A 41 9.703 -3.383 -1.814 1.00 3.07 H new ATOM 0 HD2 PHE A 41 13.395 -2.340 0.139 1.00 3.47 H new ATOM 0 HE1 PHE A 41 10.777 -3.037 -4.027 1.00 4.71 H new ATOM 0 HE2 PHE A 41 14.475 -2.015 -2.073 1.00 5.14 H new ATOM 0 HZ PHE A 41 13.161 -2.342 -4.158 1.00 5.55 H new ATOM 422 N LEU A 42 9.382 -1.617 3.352 1.00 0.84 N ATOM 423 CA LEU A 42 8.635 -1.580 4.615 1.00 0.95 C ATOM 424 C LEU A 42 7.289 -0.851 4.479 1.00 1.00 C ATOM 425 O LEU A 42 6.250 -1.436 4.784 1.00 1.10 O ATOM 426 CB LEU A 42 9.557 -1.005 5.714 1.00 0.99 C ATOM 427 CG LEU A 42 8.880 -0.458 6.986 1.00 1.11 C ATOM 428 CD1 LEU A 42 8.109 -1.524 7.758 1.00 1.26 C ATOM 429 CD2 LEU A 42 9.945 0.121 7.916 1.00 1.17 C ATOM 0 H LEU A 42 10.276 -1.129 3.395 1.00 0.84 H new ATOM 0 HA LEU A 42 8.352 -2.591 4.908 1.00 0.95 H new ATOM 0 HB2 LEU A 42 10.255 -1.787 6.013 1.00 0.99 H new ATOM 0 HB3 LEU A 42 10.147 -0.202 5.273 1.00 0.99 H new ATOM 0 HG LEU A 42 8.170 0.302 6.660 1.00 1.11 H new ATOM 0 HD11 LEU A 42 7.656 -1.076 8.642 1.00 1.26 H new ATOM 0 HD12 LEU A 42 7.328 -1.941 7.122 1.00 1.26 H new ATOM 0 HD13 LEU A 42 8.791 -2.318 8.062 1.00 1.26 H new ATOM 0 HD21 LEU A 42 9.469 0.509 8.817 1.00 1.17 H new ATOM 0 HD22 LEU A 42 10.654 -0.661 8.188 1.00 1.17 H new ATOM 0 HD23 LEU A 42 10.472 0.928 7.408 1.00 1.17 H new ATOM 441 N ARG A 43 7.269 0.371 3.940 1.00 0.96 N ATOM 442 CA ARG A 43 6.018 1.105 3.660 1.00 1.03 C ATOM 443 C ARG A 43 5.117 0.384 2.661 1.00 1.10 C ATOM 444 O ARG A 43 3.893 0.465 2.758 1.00 1.20 O ATOM 445 CB ARG A 43 6.355 2.516 3.176 1.00 0.98 C ATOM 446 CG ARG A 43 6.919 3.350 4.331 1.00 1.14 C ATOM 447 CD ARG A 43 7.126 4.822 3.945 1.00 1.30 C ATOM 448 NE ARG A 43 7.915 4.980 2.708 1.00 2.07 N ATOM 449 CZ ARG A 43 9.081 5.568 2.544 1.00 3.08 C ATOM 450 NH1 ARG A 43 9.763 6.136 3.495 1.00 3.49 N ATOM 451 NH2 ARG A 43 9.603 5.584 1.358 1.00 4.59 N ATOM 0 H ARG A 43 8.113 0.884 3.684 1.00 0.96 H new ATOM 0 HA ARG A 43 5.451 1.160 4.589 1.00 1.03 H new ATOM 0 HB2 ARG A 43 7.081 2.466 2.365 1.00 0.98 H new ATOM 0 HB3 ARG A 43 5.461 2.994 2.775 1.00 0.98 H new ATOM 0 HG2 ARG A 43 6.240 3.293 5.182 1.00 1.14 H new ATOM 0 HG3 ARG A 43 7.870 2.924 4.652 1.00 1.14 H new ATOM 0 HD2 ARG A 43 6.155 5.300 3.815 1.00 1.30 H new ATOM 0 HD3 ARG A 43 7.630 5.340 4.761 1.00 1.30 H new ATOM 0 HE ARG A 43 7.501 4.579 1.866 1.00 2.07 H new ATOM 0 HH11 ARG A 43 9.399 6.145 4.448 1.00 3.49 H new ATOM 0 HH12 ARG A 43 10.662 6.572 3.288 1.00 3.49 H new ATOM 0 HH21 ARG A 43 9.111 5.147 0.578 1.00 4.59 H new ATOM 0 HH22 ARG A 43 10.506 6.033 1.204 1.00 4.59 H new ATOM 465 N TYR A 44 5.709 -0.400 1.766 1.00 1.05 N ATOM 466 CA TYR A 44 4.966 -1.259 0.838 1.00 1.13 C ATOM 467 C TYR A 44 4.294 -2.415 1.596 1.00 1.24 C ATOM 468 O TYR A 44 3.093 -2.613 1.426 1.00 1.38 O ATOM 469 CB TYR A 44 5.885 -1.685 -0.317 1.00 1.09 C ATOM 470 CG TYR A 44 5.370 -2.725 -1.291 1.00 1.22 C ATOM 471 CD1 TYR A 44 5.458 -4.093 -0.967 1.00 2.51 C ATOM 472 CD2 TYR A 44 4.948 -2.333 -2.577 1.00 1.62 C ATOM 473 CE1 TYR A 44 5.114 -5.068 -1.923 1.00 2.65 C ATOM 474 CE2 TYR A 44 4.596 -3.305 -3.532 1.00 1.68 C ATOM 475 CZ TYR A 44 4.678 -4.674 -3.205 1.00 1.54 C ATOM 476 OH TYR A 44 4.389 -5.602 -4.149 1.00 1.71 O ATOM 0 H TYR A 44 6.722 -0.461 1.660 1.00 1.05 H new ATOM 0 HA TYR A 44 4.143 -0.712 0.377 1.00 1.13 H new ATOM 0 HB2 TYR A 44 6.140 -0.792 -0.887 1.00 1.09 H new ATOM 0 HB3 TYR A 44 6.811 -2.063 0.116 1.00 1.09 H new ATOM 0 HD1 TYR A 44 5.790 -4.394 0.016 1.00 2.51 H new ATOM 0 HD2 TYR A 44 4.895 -1.284 -2.830 1.00 1.62 H new ATOM 0 HE1 TYR A 44 5.184 -6.117 -1.675 1.00 2.65 H new ATOM 0 HE2 TYR A 44 4.264 -3.003 -4.514 1.00 1.68 H new ATOM 0 HH TYR A 44 4.068 -6.421 -3.716 1.00 1.71 H new ATOM 486 N LYS A 45 4.985 -3.100 2.522 1.00 1.20 N ATOM 487 CA LYS A 45 4.364 -4.105 3.411 1.00 1.28 C ATOM 488 C LYS A 45 3.313 -3.522 4.364 1.00 1.38 C ATOM 489 O LYS A 45 2.301 -4.182 4.597 1.00 1.53 O ATOM 490 CB LYS A 45 5.425 -4.862 4.220 1.00 1.30 C ATOM 491 CG LYS A 45 6.182 -5.902 3.382 1.00 1.54 C ATOM 492 CD LYS A 45 6.890 -6.884 4.322 1.00 1.50 C ATOM 493 CE LYS A 45 7.632 -7.967 3.540 1.00 2.58 C ATOM 494 NZ LYS A 45 8.191 -8.981 4.460 1.00 2.76 N ATOM 0 H LYS A 45 5.985 -2.976 2.678 1.00 1.20 H new ATOM 0 HA LYS A 45 3.845 -4.794 2.745 1.00 1.28 H new ATOM 0 HB2 LYS A 45 6.137 -4.148 4.635 1.00 1.30 H new ATOM 0 HB3 LYS A 45 4.946 -5.360 5.063 1.00 1.30 H new ATOM 0 HG2 LYS A 45 5.490 -6.437 2.731 1.00 1.54 H new ATOM 0 HG3 LYS A 45 6.909 -5.408 2.737 1.00 1.54 H new ATOM 0 HD2 LYS A 45 7.594 -6.342 4.954 1.00 1.50 H new ATOM 0 HD3 LYS A 45 6.159 -7.348 4.984 1.00 1.50 H new ATOM 0 HE2 LYS A 45 6.952 -8.444 2.834 1.00 2.58 H new ATOM 0 HE3 LYS A 45 8.434 -7.516 2.956 1.00 2.58 H new ATOM 0 HZ1 LYS A 45 8.692 -9.709 3.911 1.00 2.76 H new ATOM 0 HZ2 LYS A 45 8.855 -8.525 5.117 1.00 2.76 H new ATOM 0 HZ3 LYS A 45 7.420 -9.423 4.999 1.00 2.76 H new ATOM 508 N ASN A 46 3.494 -2.296 4.861 1.00 1.36 N ATOM 509 CA ASN A 46 2.475 -1.596 5.657 1.00 1.43 C ATOM 510 C ASN A 46 1.214 -1.325 4.812 1.00 1.49 C ATOM 511 O ASN A 46 0.099 -1.607 5.246 1.00 1.55 O ATOM 512 CB ASN A 46 3.032 -0.259 6.192 1.00 1.38 C ATOM 513 CG ASN A 46 4.314 -0.308 7.013 1.00 1.29 C ATOM 514 OD1 ASN A 46 4.681 -1.307 7.621 1.00 1.35 O ATOM 515 ND2 ASN A 46 5.021 0.799 7.058 1.00 1.19 N ATOM 0 H ASN A 46 4.350 -1.758 4.725 1.00 1.36 H new ATOM 0 HA ASN A 46 2.208 -2.236 6.498 1.00 1.43 H new ATOM 0 HB2 ASN A 46 3.204 0.399 5.340 1.00 1.38 H new ATOM 0 HB3 ASN A 46 2.259 0.207 6.803 1.00 1.38 H new ATOM 0 HD21 ASN A 46 5.883 0.832 7.602 1.00 1.19 H new ATOM 0 HD22 ASN A 46 4.708 1.625 6.549 1.00 1.19 H new ATOM 522 N CYS A 47 1.389 -0.854 3.573 1.00 1.49 N ATOM 523 CA CYS A 47 0.317 -0.629 2.607 1.00 1.54 C ATOM 524 C CYS A 47 -0.426 -1.933 2.268 1.00 1.52 C ATOM 525 O CYS A 47 -1.657 -1.971 2.319 1.00 1.71 O ATOM 526 CB CYS A 47 0.978 0.013 1.385 1.00 1.61 C ATOM 527 SG CYS A 47 -0.043 0.330 -0.067 1.00 1.99 S ATOM 0 H CYS A 47 2.310 -0.613 3.207 1.00 1.49 H new ATOM 0 HA CYS A 47 -0.454 0.028 3.010 1.00 1.54 H new ATOM 0 HB2 CYS A 47 1.412 0.962 1.701 1.00 1.61 H new ATOM 0 HB3 CYS A 47 1.804 -0.628 1.078 1.00 1.61 H new ATOM 532 N ARG A 48 0.311 -3.029 2.020 1.00 1.37 N ATOM 533 CA ARG A 48 -0.260 -4.371 1.821 1.00 1.37 C ATOM 534 C ARG A 48 -1.102 -4.808 3.018 1.00 1.22 C ATOM 535 O ARG A 48 -2.248 -5.209 2.813 1.00 1.12 O ATOM 536 CB ARG A 48 0.843 -5.404 1.545 1.00 1.65 C ATOM 537 CG ARG A 48 1.611 -5.092 0.252 1.00 1.38 C ATOM 538 CD ARG A 48 1.642 -6.282 -0.705 1.00 1.91 C ATOM 539 NE ARG A 48 2.579 -7.311 -0.232 1.00 2.80 N ATOM 540 CZ ARG A 48 3.253 -8.179 -0.954 1.00 3.72 C ATOM 541 NH1 ARG A 48 3.052 -8.342 -2.226 1.00 4.25 N ATOM 542 NH2 ARG A 48 4.174 -8.891 -0.384 1.00 4.60 N ATOM 0 H ARG A 48 1.328 -3.008 1.952 1.00 1.37 H new ATOM 0 HA ARG A 48 -0.913 -4.316 0.950 1.00 1.37 H new ATOM 0 HB2 ARG A 48 1.539 -5.425 2.384 1.00 1.65 H new ATOM 0 HB3 ARG A 48 0.400 -6.397 1.473 1.00 1.65 H new ATOM 0 HG2 ARG A 48 1.148 -4.240 -0.246 1.00 1.38 H new ATOM 0 HG3 ARG A 48 2.632 -4.801 0.500 1.00 1.38 H new ATOM 0 HD2 ARG A 48 0.643 -6.708 -0.795 1.00 1.91 H new ATOM 0 HD3 ARG A 48 1.936 -5.946 -1.700 1.00 1.91 H new ATOM 0 HE ARG A 48 2.724 -7.357 0.777 1.00 2.80 H new ATOM 0 HH11 ARG A 48 2.346 -7.784 -2.706 1.00 4.25 H new ATOM 0 HH12 ARG A 48 3.600 -9.028 -2.745 1.00 4.25 H new ATOM 0 HH21 ARG A 48 4.367 -8.774 0.611 1.00 4.60 H new ATOM 0 HH22 ARG A 48 4.706 -9.569 -0.930 1.00 4.60 H new ATOM 556 N ARG A 49 -0.567 -4.670 4.241 1.00 1.24 N ATOM 557 CA ARG A 49 -1.238 -5.026 5.505 1.00 1.17 C ATOM 558 C ARG A 49 -2.512 -4.219 5.730 1.00 0.99 C ATOM 559 O ARG A 49 -3.533 -4.811 6.080 1.00 0.86 O ATOM 560 CB ARG A 49 -0.259 -4.873 6.685 1.00 1.30 C ATOM 561 CG ARG A 49 -0.868 -5.393 8.002 1.00 1.27 C ATOM 562 CD ARG A 49 0.044 -5.211 9.222 1.00 1.56 C ATOM 563 NE ARG A 49 1.316 -5.941 9.077 1.00 1.76 N ATOM 564 CZ ARG A 49 2.494 -5.434 8.764 1.00 2.38 C ATOM 565 NH1 ARG A 49 2.730 -4.158 8.667 1.00 3.07 N ATOM 566 NH2 ARG A 49 3.497 -6.217 8.508 1.00 3.64 N ATOM 0 H ARG A 49 0.372 -4.297 4.384 1.00 1.24 H new ATOM 0 HA ARG A 49 -1.544 -6.070 5.438 1.00 1.17 H new ATOM 0 HB2 ARG A 49 0.660 -5.418 6.469 1.00 1.30 H new ATOM 0 HB3 ARG A 49 0.012 -3.824 6.799 1.00 1.30 H new ATOM 0 HG2 ARG A 49 -1.810 -4.876 8.184 1.00 1.27 H new ATOM 0 HG3 ARG A 49 -1.102 -6.452 7.890 1.00 1.27 H new ATOM 0 HD2 ARG A 49 0.250 -4.150 9.365 1.00 1.56 H new ATOM 0 HD3 ARG A 49 -0.473 -5.559 10.116 1.00 1.56 H new ATOM 0 HE ARG A 49 1.283 -6.948 9.236 1.00 1.76 H new ATOM 0 HH11 ARG A 49 1.981 -3.487 8.837 1.00 3.07 H new ATOM 0 HH12 ARG A 49 3.664 -3.829 8.421 1.00 3.07 H new ATOM 0 HH21 ARG A 49 3.377 -7.229 8.548 1.00 3.64 H new ATOM 0 HH22 ARG A 49 4.405 -5.820 8.267 1.00 3.64 H new ATOM 580 N PHE A 50 -2.482 -2.911 5.480 1.00 1.00 N ATOM 581 CA PHE A 50 -3.655 -2.044 5.592 1.00 0.83 C ATOM 582 C PHE A 50 -4.780 -2.492 4.665 1.00 0.68 C ATOM 583 O PHE A 50 -5.897 -2.764 5.103 1.00 0.54 O ATOM 584 CB PHE A 50 -3.277 -0.605 5.239 1.00 0.86 C ATOM 585 CG PHE A 50 -4.445 0.344 5.424 1.00 0.72 C ATOM 586 CD1 PHE A 50 -4.867 0.702 6.718 1.00 2.04 C ATOM 587 CD2 PHE A 50 -5.168 0.795 4.303 1.00 1.53 C ATOM 588 CE1 PHE A 50 -6.022 1.484 6.891 1.00 1.95 C ATOM 589 CE2 PHE A 50 -6.320 1.581 4.476 1.00 1.57 C ATOM 590 CZ PHE A 50 -6.755 1.913 5.770 1.00 0.55 C ATOM 0 H PHE A 50 -1.636 -2.419 5.192 1.00 1.00 H new ATOM 0 HA PHE A 50 -4.005 -2.106 6.622 1.00 0.83 H new ATOM 0 HB2 PHE A 50 -2.445 -0.284 5.865 1.00 0.86 H new ATOM 0 HB3 PHE A 50 -2.934 -0.562 4.205 1.00 0.86 H new ATOM 0 HD1 PHE A 50 -4.303 0.375 7.579 1.00 2.04 H new ATOM 0 HD2 PHE A 50 -4.837 0.536 3.308 1.00 1.53 H new ATOM 0 HE1 PHE A 50 -6.347 1.755 7.885 1.00 1.95 H new ATOM 0 HE2 PHE A 50 -6.871 1.930 3.615 1.00 1.57 H new ATOM 0 HZ PHE A 50 -7.653 2.498 5.904 1.00 0.55 H new ATOM 600 N TRP A 51 -4.480 -2.622 3.376 1.00 0.78 N ATOM 601 CA TRP A 51 -5.503 -3.000 2.406 1.00 0.73 C ATOM 602 C TRP A 51 -5.986 -4.454 2.601 1.00 0.73 C ATOM 603 O TRP A 51 -7.183 -4.702 2.475 1.00 0.62 O ATOM 604 CB TRP A 51 -5.038 -2.626 0.996 1.00 0.86 C ATOM 605 CG TRP A 51 -4.920 -1.137 0.755 1.00 0.90 C ATOM 606 CD1 TRP A 51 -3.786 -0.457 0.457 1.00 0.98 C ATOM 607 CD2 TRP A 51 -5.967 -0.108 0.819 1.00 0.89 C ATOM 608 NE1 TRP A 51 -4.074 0.872 0.231 1.00 1.02 N ATOM 609 CE2 TRP A 51 -5.391 1.157 0.492 1.00 0.97 C ATOM 610 CE3 TRP A 51 -7.341 -0.102 1.150 1.00 0.87 C ATOM 611 CZ2 TRP A 51 -6.125 2.352 0.485 1.00 1.02 C ATOM 612 CZ3 TRP A 51 -8.091 1.093 1.155 1.00 0.92 C ATOM 613 CH2 TRP A 51 -7.483 2.321 0.834 1.00 0.99 C ATOM 0 H TRP A 51 -3.551 -2.474 2.983 1.00 0.78 H new ATOM 0 HA TRP A 51 -6.412 -2.424 2.577 1.00 0.73 H new ATOM 0 HB2 TRP A 51 -4.070 -3.090 0.810 1.00 0.86 H new ATOM 0 HB3 TRP A 51 -5.737 -3.045 0.272 1.00 0.86 H new ATOM 0 HD1 TRP A 51 -2.799 -0.893 0.404 1.00 0.98 H new ATOM 0 HE1 TRP A 51 -3.392 1.559 -0.091 1.00 1.02 H new ATOM 0 HE3 TRP A 51 -7.827 -1.032 1.405 1.00 0.87 H new ATOM 0 HZ2 TRP A 51 -5.651 3.284 0.214 1.00 1.02 H new ATOM 0 HZ3 TRP A 51 -9.141 1.065 1.407 1.00 0.92 H new ATOM 0 HH2 TRP A 51 -8.059 3.234 0.856 1.00 0.99 H new ATOM 624 N ASN A 52 -5.137 -5.378 3.072 1.00 0.86 N ATOM 625 CA ASN A 52 -5.538 -6.703 3.564 1.00 0.90 C ATOM 626 C ASN A 52 -6.445 -6.633 4.819 1.00 0.80 C ATOM 627 O ASN A 52 -7.350 -7.455 4.990 1.00 0.82 O ATOM 628 CB ASN A 52 -4.245 -7.501 3.834 1.00 1.09 C ATOM 629 CG ASN A 52 -3.601 -8.077 2.579 1.00 1.30 C ATOM 630 OD1 ASN A 52 -4.219 -8.245 1.534 1.00 1.57 O ATOM 631 ND2 ASN A 52 -2.324 -8.369 2.608 1.00 1.52 N ATOM 0 H ASN A 52 -4.130 -5.221 3.123 1.00 0.86 H new ATOM 0 HA ASN A 52 -6.148 -7.202 2.810 1.00 0.90 H new ATOM 0 HB2 ASN A 52 -3.526 -6.851 4.334 1.00 1.09 H new ATOM 0 HB3 ASN A 52 -4.470 -8.316 4.522 1.00 1.09 H new ATOM 0 HD21 ASN A 52 -1.864 -8.728 1.772 1.00 1.52 H new ATOM 0 HD22 ASN A 52 -1.790 -8.237 3.467 1.00 1.52 H new ATOM 638 N SER A 53 -6.251 -5.634 5.686 1.00 0.74 N ATOM 639 CA SER A 53 -7.123 -5.358 6.838 1.00 0.73 C ATOM 640 C SER A 53 -8.516 -4.928 6.377 1.00 0.56 C ATOM 641 O SER A 53 -9.511 -5.482 6.846 1.00 0.56 O ATOM 642 CB SER A 53 -6.504 -4.276 7.734 1.00 0.79 C ATOM 643 OG SER A 53 -7.064 -4.283 9.030 1.00 2.56 O ATOM 0 H SER A 53 -5.471 -4.982 5.608 1.00 0.74 H new ATOM 0 HA SER A 53 -7.221 -6.278 7.415 1.00 0.73 H new ATOM 0 HB2 SER A 53 -5.428 -4.433 7.803 1.00 0.79 H new ATOM 0 HB3 SER A 53 -6.655 -3.297 7.279 1.00 0.79 H new ATOM 0 HG SER A 53 -6.644 -3.582 9.572 1.00 2.56 H new ATOM 649 N ILE A 54 -8.595 -4.014 5.399 1.00 0.45 N ATOM 650 CA ILE A 54 -9.850 -3.540 4.791 1.00 0.37 C ATOM 651 C ILE A 54 -10.585 -4.684 4.082 1.00 0.36 C ATOM 652 O ILE A 54 -11.790 -4.855 4.274 1.00 0.41 O ATOM 653 CB ILE A 54 -9.549 -2.366 3.828 1.00 0.38 C ATOM 654 CG1 ILE A 54 -8.988 -1.124 4.562 1.00 0.41 C ATOM 655 CG2 ILE A 54 -10.770 -1.978 2.975 1.00 0.50 C ATOM 656 CD1 ILE A 54 -9.936 -0.465 5.573 1.00 0.51 C ATOM 0 H ILE A 54 -7.768 -3.572 4.998 1.00 0.45 H new ATOM 0 HA ILE A 54 -10.513 -3.178 5.577 1.00 0.37 H new ATOM 0 HB ILE A 54 -8.774 -2.733 3.156 1.00 0.38 H new ATOM 0 HG12 ILE A 54 -8.075 -1.414 5.083 1.00 0.41 H new ATOM 0 HG13 ILE A 54 -8.707 -0.380 3.816 1.00 0.41 H new ATOM 0 HG21 ILE A 54 -10.506 -1.150 2.317 1.00 0.50 H new ATOM 0 HG22 ILE A 54 -11.081 -2.833 2.375 1.00 0.50 H new ATOM 0 HG23 ILE A 54 -11.589 -1.675 3.628 1.00 0.50 H new ATOM 0 HD11 ILE A 54 -9.443 0.394 6.028 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -10.841 -0.135 5.062 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -10.199 -1.185 6.348 1.00 0.51 H new ATOM 668 N VAL A 55 -9.857 -5.516 3.332 1.00 0.39 N ATOM 669 CA VAL A 55 -10.374 -6.750 2.717 1.00 0.43 C ATOM 670 C VAL A 55 -11.023 -7.645 3.768 1.00 0.48 C ATOM 671 O VAL A 55 -12.187 -8.008 3.613 1.00 0.53 O ATOM 672 CB VAL A 55 -9.239 -7.477 1.972 1.00 0.59 C ATOM 673 CG1 VAL A 55 -9.527 -8.940 1.615 1.00 0.69 C ATOM 674 CG2 VAL A 55 -8.932 -6.731 0.675 1.00 0.71 C ATOM 0 H VAL A 55 -8.871 -5.351 3.129 1.00 0.39 H new ATOM 0 HA VAL A 55 -11.146 -6.493 1.991 1.00 0.43 H new ATOM 0 HB VAL A 55 -8.399 -7.484 2.666 1.00 0.59 H new ATOM 0 HG11 VAL A 55 -8.668 -9.363 1.093 1.00 0.69 H new ATOM 0 HG12 VAL A 55 -9.713 -9.507 2.527 1.00 0.69 H new ATOM 0 HG13 VAL A 55 -10.404 -8.991 0.970 1.00 0.69 H new ATOM 0 HG21 VAL A 55 -8.129 -7.241 0.143 1.00 0.71 H new ATOM 0 HG22 VAL A 55 -9.824 -6.707 0.049 1.00 0.71 H new ATOM 0 HG23 VAL A 55 -8.624 -5.711 0.906 1.00 0.71 H new ATOM 684 N MET A 56 -10.343 -7.927 4.884 1.00 0.56 N ATOM 685 CA MET A 56 -10.924 -8.733 5.967 1.00 0.69 C ATOM 686 C MET A 56 -12.115 -8.058 6.675 1.00 0.72 C ATOM 687 O MET A 56 -13.069 -8.746 7.052 1.00 0.83 O ATOM 688 CB MET A 56 -9.821 -9.109 6.964 1.00 0.73 C ATOM 689 CG MET A 56 -8.942 -10.245 6.421 1.00 0.92 C ATOM 690 SD MET A 56 -9.781 -11.844 6.211 1.00 1.72 S ATOM 691 CE MET A 56 -9.858 -12.396 7.938 1.00 3.21 C ATOM 0 H MET A 56 -9.390 -7.610 5.063 1.00 0.56 H new ATOM 0 HA MET A 56 -11.339 -9.633 5.514 1.00 0.69 H new ATOM 0 HB2 MET A 56 -9.203 -8.236 7.172 1.00 0.73 H new ATOM 0 HB3 MET A 56 -10.270 -9.414 7.909 1.00 0.73 H new ATOM 0 HG2 MET A 56 -8.534 -9.938 5.458 1.00 0.92 H new ATOM 0 HG3 MET A 56 -8.097 -10.383 7.096 1.00 0.92 H new ATOM 0 HE1 MET A 56 -10.347 -13.369 7.988 1.00 3.21 H new ATOM 0 HE2 MET A 56 -8.848 -12.477 8.339 1.00 3.21 H new ATOM 0 HE3 MET A 56 -10.425 -11.674 8.526 1.00 3.21 H new ATOM 701 N GLN A 57 -12.118 -6.727 6.804 1.00 0.67 N ATOM 702 CA GLN A 57 -13.233 -5.963 7.389 1.00 0.77 C ATOM 703 C GLN A 57 -14.445 -5.880 6.442 1.00 0.77 C ATOM 704 O GLN A 57 -15.563 -5.655 6.906 1.00 0.98 O ATOM 705 CB GLN A 57 -12.809 -4.542 7.818 1.00 0.80 C ATOM 706 CG GLN A 57 -11.735 -4.381 8.916 1.00 0.91 C ATOM 707 CD GLN A 57 -11.485 -5.607 9.791 1.00 0.85 C ATOM 708 OE1 GLN A 57 -12.187 -5.888 10.756 1.00 1.36 O ATOM 709 NE2 GLN A 57 -10.488 -6.401 9.480 1.00 1.41 N ATOM 0 H GLN A 57 -11.340 -6.141 6.503 1.00 0.67 H new ATOM 0 HA GLN A 57 -13.530 -6.516 8.280 1.00 0.77 H new ATOM 0 HB2 GLN A 57 -12.451 -4.023 6.929 1.00 0.80 H new ATOM 0 HB3 GLN A 57 -13.704 -4.019 8.154 1.00 0.80 H new ATOM 0 HG2 GLN A 57 -10.795 -4.101 8.439 1.00 0.91 H new ATOM 0 HG3 GLN A 57 -12.024 -3.551 9.561 1.00 0.91 H new ATOM 0 HE21 GLN A 57 -9.893 -6.184 8.681 1.00 1.41 H new ATOM 0 HE22 GLN A 57 -10.308 -7.236 10.038 1.00 1.41 H new ATOM 718 N ARG A 58 -14.258 -6.090 5.131 1.00 0.64 N ATOM 719 CA ARG A 58 -15.338 -6.259 4.138 1.00 0.72 C ATOM 720 C ARG A 58 -15.791 -7.711 3.989 1.00 0.76 C ATOM 721 O ARG A 58 -16.977 -7.984 3.780 1.00 0.88 O ATOM 722 CB ARG A 58 -14.885 -5.662 2.792 1.00 0.70 C ATOM 723 CG ARG A 58 -14.905 -4.128 2.851 1.00 0.85 C ATOM 724 CD ARG A 58 -14.315 -3.475 1.596 1.00 1.22 C ATOM 725 NE ARG A 58 -14.842 -2.122 1.307 1.00 1.32 N ATOM 726 CZ ARG A 58 -15.151 -1.103 2.097 1.00 1.52 C ATOM 727 NH1 ARG A 58 -15.065 -1.090 3.401 1.00 2.36 N ATOM 728 NH2 ARG A 58 -15.584 -0.031 1.508 1.00 1.78 N ATOM 0 H ARG A 58 -13.328 -6.149 4.717 1.00 0.64 H new ATOM 0 HA ARG A 58 -16.215 -5.720 4.497 1.00 0.72 H new ATOM 0 HB2 ARG A 58 -13.880 -6.010 2.553 1.00 0.70 H new ATOM 0 HB3 ARG A 58 -15.541 -6.010 1.994 1.00 0.70 H new ATOM 0 HG2 ARG A 58 -15.932 -3.788 2.983 1.00 0.85 H new ATOM 0 HG3 ARG A 58 -14.345 -3.796 3.725 1.00 0.85 H new ATOM 0 HD2 ARG A 58 -13.232 -3.414 1.707 1.00 1.22 H new ATOM 0 HD3 ARG A 58 -14.512 -4.119 0.739 1.00 1.22 H new ATOM 0 HE ARG A 58 -14.996 -1.940 0.315 1.00 1.32 H new ATOM 0 HH11 ARG A 58 -14.735 -1.917 3.899 1.00 2.36 H new ATOM 0 HH12 ARG A 58 -15.328 -0.253 3.921 1.00 2.36 H new ATOM 0 HH21 ARG A 58 -15.670 -0.007 0.492 1.00 1.78 H new ATOM 0 HH22 ARG A 58 -15.838 0.787 2.061 1.00 1.78 H new ATOM 742 N ARG A 59 -14.872 -8.664 4.148 1.00 0.72 N ATOM 743 CA ARG A 59 -15.126 -10.103 3.964 1.00 0.82 C ATOM 744 C ARG A 59 -16.003 -10.712 5.061 1.00 1.00 C ATOM 745 O ARG A 59 -16.655 -11.720 4.813 1.00 1.09 O ATOM 746 CB ARG A 59 -13.794 -10.834 3.737 1.00 0.79 C ATOM 747 CG ARG A 59 -14.006 -12.280 3.266 1.00 0.96 C ATOM 748 CD ARG A 59 -12.753 -12.825 2.572 1.00 1.04 C ATOM 749 NE ARG A 59 -13.005 -14.130 1.930 1.00 1.64 N ATOM 750 CZ ARG A 59 -12.358 -14.608 0.881 1.00 2.23 C ATOM 751 NH1 ARG A 59 -11.333 -13.999 0.357 1.00 2.27 N ATOM 752 NH2 ARG A 59 -12.731 -15.715 0.313 1.00 3.03 N ATOM 0 H ARG A 59 -13.909 -8.458 4.414 1.00 0.72 H new ATOM 0 HA ARG A 59 -15.730 -10.237 3.066 1.00 0.82 H new ATOM 0 HB2 ARG A 59 -13.205 -10.294 2.996 1.00 0.79 H new ATOM 0 HB3 ARG A 59 -13.218 -10.835 4.662 1.00 0.79 H new ATOM 0 HG2 ARG A 59 -14.256 -12.910 4.119 1.00 0.96 H new ATOM 0 HG3 ARG A 59 -14.852 -12.322 2.580 1.00 0.96 H new ATOM 0 HD2 ARG A 59 -12.413 -12.111 1.822 1.00 1.04 H new ATOM 0 HD3 ARG A 59 -11.949 -12.928 3.301 1.00 1.04 H new ATOM 0 HE ARG A 59 -13.741 -14.712 2.330 1.00 1.64 H new ATOM 0 HH11 ARG A 59 -11.003 -13.120 0.756 1.00 2.27 H new ATOM 0 HH12 ARG A 59 -10.860 -14.401 -0.453 1.00 2.27 H new ATOM 0 HH21 ARG A 59 -13.534 -16.229 0.676 1.00 3.03 H new ATOM 0 HH22 ARG A 59 -12.221 -16.070 -0.496 1.00 3.03 H new ATOM 766 N LYS A 60 -16.153 -10.034 6.207 1.00 1.10 N ATOM 767 CA LYS A 60 -17.114 -10.397 7.269 1.00 1.34 C ATOM 768 C LYS A 60 -18.583 -10.476 6.827 1.00 1.47 C ATOM 769 O LYS A 60 -19.369 -11.141 7.501 1.00 1.67 O ATOM 770 CB LYS A 60 -16.954 -9.454 8.466 1.00 1.43 C ATOM 771 CG LYS A 60 -17.506 -8.037 8.246 1.00 1.43 C ATOM 772 CD LYS A 60 -17.112 -7.172 9.445 1.00 1.51 C ATOM 773 CE LYS A 60 -17.730 -5.771 9.407 1.00 1.59 C ATOM 774 NZ LYS A 60 -17.661 -5.106 10.734 1.00 1.87 N ATOM 0 H LYS A 60 -15.604 -9.204 6.430 1.00 1.10 H new ATOM 0 HA LYS A 60 -16.860 -11.418 7.553 1.00 1.34 H new ATOM 0 HB2 LYS A 60 -17.455 -9.895 9.328 1.00 1.43 H new ATOM 0 HB3 LYS A 60 -15.895 -9.382 8.715 1.00 1.43 H new ATOM 0 HG2 LYS A 60 -17.106 -7.613 7.325 1.00 1.43 H new ATOM 0 HG3 LYS A 60 -18.590 -8.065 8.139 1.00 1.43 H new ATOM 0 HD2 LYS A 60 -17.419 -7.673 10.363 1.00 1.51 H new ATOM 0 HD3 LYS A 60 -16.026 -7.082 9.479 1.00 1.51 H new ATOM 0 HE2 LYS A 60 -17.209 -5.163 8.667 1.00 1.59 H new ATOM 0 HE3 LYS A 60 -18.770 -5.840 9.088 1.00 1.59 H new ATOM 0 HZ1 LYS A 60 -18.088 -4.160 10.671 1.00 1.87 H new ATOM 0 HZ2 LYS A 60 -18.179 -5.674 11.434 1.00 1.87 H new ATOM 0 HZ3 LYS A 60 -16.667 -5.018 11.027 1.00 1.87 H new ATOM 788 N ASN A 61 -18.965 -9.817 5.728 1.00 1.41 N ATOM 789 CA ASN A 61 -20.269 -10.007 5.075 1.00 1.55 C ATOM 790 C ASN A 61 -20.216 -10.951 3.845 1.00 1.44 C ATOM 791 O ASN A 61 -21.198 -11.633 3.543 1.00 1.46 O ATOM 792 CB ASN A 61 -20.861 -8.629 4.751 1.00 1.74 C ATOM 793 CG ASN A 61 -21.316 -7.911 6.007 1.00 2.05 C ATOM 794 OD1 ASN A 61 -22.382 -8.155 6.552 1.00 2.36 O ATOM 795 ND2 ASN A 61 -20.507 -7.036 6.543 1.00 2.08 N ATOM 0 H ASN A 61 -18.374 -9.130 5.261 1.00 1.41 H new ATOM 0 HA ASN A 61 -20.931 -10.525 5.768 1.00 1.55 H new ATOM 0 HB2 ASN A 61 -20.116 -8.024 4.234 1.00 1.74 H new ATOM 0 HB3 ASN A 61 -21.705 -8.745 4.071 1.00 1.74 H new ATOM 0 HD21 ASN A 61 -20.768 -6.564 7.409 1.00 2.08 H new ATOM 0 HD22 ASN A 61 -19.615 -6.825 6.096 1.00 2.08 H new ATOM 802 N GLY A 62 -19.065 -11.068 3.174 1.00 1.39 N ATOM 803 CA GLY A 62 -18.793 -12.082 2.140 1.00 1.39 C ATOM 804 C GLY A 62 -19.486 -11.873 0.783 1.00 1.47 C ATOM 805 O GLY A 62 -19.658 -12.837 0.034 1.00 1.56 O ATOM 0 H GLY A 62 -18.274 -10.445 3.337 1.00 1.39 H new ATOM 0 HA2 GLY A 62 -17.717 -12.120 1.972 1.00 1.39 H new ATOM 0 HA3 GLY A 62 -19.089 -13.056 2.529 1.00 1.39 H new ATOM 809 N VAL A 63 -19.931 -10.649 0.476 1.00 1.53 N ATOM 810 CA VAL A 63 -20.950 -10.374 -0.553 1.00 1.76 C ATOM 811 C VAL A 63 -20.490 -9.468 -1.708 1.00 1.73 C ATOM 812 O VAL A 63 -20.937 -9.680 -2.839 1.00 1.98 O ATOM 813 CB VAL A 63 -22.228 -9.862 0.140 1.00 1.98 C ATOM 814 CG1 VAL A 63 -22.059 -8.529 0.880 1.00 1.98 C ATOM 815 CG2 VAL A 63 -23.380 -9.749 -0.852 1.00 2.33 C ATOM 0 H VAL A 63 -19.591 -9.807 0.940 1.00 1.53 H new ATOM 0 HA VAL A 63 -21.157 -11.316 -1.062 1.00 1.76 H new ATOM 0 HB VAL A 63 -22.453 -10.612 0.898 1.00 1.98 H new ATOM 0 HG11 VAL A 63 -23.006 -8.244 1.337 1.00 1.98 H new ATOM 0 HG12 VAL A 63 -21.300 -8.637 1.655 1.00 1.98 H new ATOM 0 HG13 VAL A 63 -21.750 -7.758 0.174 1.00 1.98 H new ATOM 0 HG21 VAL A 63 -24.269 -9.386 -0.337 1.00 2.33 H new ATOM 0 HG22 VAL A 63 -23.110 -9.052 -1.645 1.00 2.33 H new ATOM 0 HG23 VAL A 63 -23.586 -10.728 -1.284 1.00 2.33 H new ATOM 825 N LYS A 64 -19.580 -8.512 -1.478 1.00 1.60 N ATOM 826 CA LYS A 64 -18.999 -7.619 -2.509 1.00 1.67 C ATOM 827 C LYS A 64 -17.594 -8.057 -2.954 1.00 1.51 C ATOM 828 O LYS A 64 -16.975 -8.863 -2.257 1.00 1.32 O ATOM 829 CB LYS A 64 -18.983 -6.168 -1.986 1.00 1.87 C ATOM 830 CG LYS A 64 -18.229 -5.988 -0.655 1.00 1.68 C ATOM 831 CD LYS A 64 -17.604 -4.599 -0.467 1.00 1.81 C ATOM 832 CE LYS A 64 -18.555 -3.456 -0.857 1.00 2.39 C ATOM 833 NZ LYS A 64 -18.009 -2.136 -0.474 1.00 3.29 N ATOM 0 H LYS A 64 -19.212 -8.327 -0.545 1.00 1.60 H new ATOM 0 HA LYS A 64 -19.632 -7.683 -3.394 1.00 1.67 H new ATOM 0 HB2 LYS A 64 -18.526 -5.526 -2.740 1.00 1.87 H new ATOM 0 HB3 LYS A 64 -20.011 -5.828 -1.858 1.00 1.87 H new ATOM 0 HG2 LYS A 64 -18.918 -6.178 0.168 1.00 1.68 H new ATOM 0 HG3 LYS A 64 -17.442 -6.739 -0.592 1.00 1.68 H new ATOM 0 HD2 LYS A 64 -17.307 -4.478 0.575 1.00 1.81 H new ATOM 0 HD3 LYS A 64 -16.697 -4.530 -1.067 1.00 1.81 H new ATOM 0 HE2 LYS A 64 -18.730 -3.479 -1.933 1.00 2.39 H new ATOM 0 HE3 LYS A 64 -19.520 -3.605 -0.373 1.00 2.39 H new ATOM 0 HZ1 LYS A 64 -18.653 -1.387 -0.798 1.00 3.29 H new ATOM 0 HZ2 LYS A 64 -17.913 -2.087 0.560 1.00 3.29 H new ATOM 0 HZ3 LYS A 64 -17.076 -2.005 -0.915 1.00 3.29 H new ATOM 847 N PRO A 65 -17.035 -7.513 -4.053 1.00 1.66 N ATOM 848 CA PRO A 65 -15.586 -7.523 -4.256 1.00 1.58 C ATOM 849 C PRO A 65 -14.882 -6.803 -3.090 1.00 1.39 C ATOM 850 O PRO A 65 -15.146 -5.631 -2.810 1.00 1.47 O ATOM 851 CB PRO A 65 -15.357 -6.846 -5.610 1.00 1.89 C ATOM 852 CG PRO A 65 -16.578 -5.945 -5.781 1.00 2.09 C ATOM 853 CD PRO A 65 -17.687 -6.759 -5.119 1.00 1.97 C ATOM 0 HA PRO A 65 -15.165 -8.528 -4.268 1.00 1.58 H new ATOM 0 HB2 PRO A 65 -14.431 -6.270 -5.617 1.00 1.89 H new ATOM 0 HB3 PRO A 65 -15.284 -7.577 -6.415 1.00 1.89 H new ATOM 0 HG2 PRO A 65 -16.440 -4.979 -5.296 1.00 2.09 H new ATOM 0 HG3 PRO A 65 -16.792 -5.747 -6.831 1.00 2.09 H new ATOM 0 HD2 PRO A 65 -18.466 -6.109 -4.720 1.00 1.97 H new ATOM 0 HD3 PRO A 65 -18.165 -7.427 -5.836 1.00 1.97 H new ATOM 861 N PHE A 66 -14.032 -7.542 -2.374 1.00 1.19 N ATOM 862 CA PHE A 66 -13.428 -7.139 -1.100 1.00 0.93 C ATOM 863 C PHE A 66 -12.285 -6.137 -1.251 1.00 0.89 C ATOM 864 O PHE A 66 -12.207 -5.181 -0.480 1.00 0.80 O ATOM 865 CB PHE A 66 -12.895 -8.385 -0.382 1.00 0.82 C ATOM 866 CG PHE A 66 -13.892 -9.511 -0.185 1.00 0.86 C ATOM 867 CD1 PHE A 66 -15.173 -9.247 0.334 1.00 1.88 C ATOM 868 CD2 PHE A 66 -13.549 -10.823 -0.565 1.00 2.20 C ATOM 869 CE1 PHE A 66 -16.116 -10.283 0.438 1.00 1.97 C ATOM 870 CE2 PHE A 66 -14.490 -11.861 -0.449 1.00 2.21 C ATOM 871 CZ PHE A 66 -15.776 -11.588 0.044 1.00 1.06 C ATOM 0 H PHE A 66 -13.734 -8.470 -2.675 1.00 1.19 H new ATOM 0 HA PHE A 66 -14.212 -6.644 -0.527 1.00 0.93 H new ATOM 0 HB2 PHE A 66 -12.046 -8.771 -0.947 1.00 0.82 H new ATOM 0 HB3 PHE A 66 -12.517 -8.084 0.595 1.00 0.82 H new ATOM 0 HD1 PHE A 66 -15.431 -8.248 0.652 1.00 1.88 H new ATOM 0 HD2 PHE A 66 -12.561 -11.032 -0.947 1.00 2.20 H new ATOM 0 HE1 PHE A 66 -17.104 -10.076 0.822 1.00 1.97 H new ATOM 0 HE2 PHE A 66 -14.224 -12.867 -0.739 1.00 2.21 H new ATOM 0 HZ PHE A 66 -16.504 -12.382 0.120 1.00 1.06 H new ATOM 881 N MET A 67 -11.407 -6.368 -2.231 1.00 1.04 N ATOM 882 CA MET A 67 -10.361 -5.428 -2.640 1.00 1.24 C ATOM 883 C MET A 67 -11.011 -4.107 -3.086 1.00 1.41 C ATOM 884 O MET A 67 -11.724 -4.098 -4.097 1.00 1.58 O ATOM 885 CB MET A 67 -9.502 -6.032 -3.764 1.00 1.44 C ATOM 886 CG MET A 67 -8.373 -6.910 -3.215 1.00 1.41 C ATOM 887 SD MET A 67 -7.098 -5.979 -2.312 1.00 1.49 S ATOM 888 CE MET A 67 -6.046 -7.351 -1.774 1.00 1.55 C ATOM 0 H MET A 67 -11.404 -7.232 -2.773 1.00 1.04 H new ATOM 0 HA MET A 67 -9.702 -5.228 -1.795 1.00 1.24 H new ATOM 0 HB2 MET A 67 -10.134 -6.625 -4.424 1.00 1.44 H new ATOM 0 HB3 MET A 67 -9.077 -5.229 -4.366 1.00 1.44 H new ATOM 0 HG2 MET A 67 -8.799 -7.662 -2.552 1.00 1.41 H new ATOM 0 HG3 MET A 67 -7.904 -7.443 -4.042 1.00 1.41 H new ATOM 0 HE1 MET A 67 -5.357 -7.001 -1.005 1.00 1.55 H new ATOM 0 HE2 MET A 67 -6.668 -8.149 -1.368 1.00 1.55 H new ATOM 0 HE3 MET A 67 -5.479 -7.730 -2.624 1.00 1.55 H new ATOM 898 N PRO A 68 -10.820 -3.002 -2.340 1.00 1.40 N ATOM 899 CA PRO A 68 -11.616 -1.791 -2.503 1.00 1.51 C ATOM 900 C PRO A 68 -11.381 -1.124 -3.859 1.00 1.76 C ATOM 901 O PRO A 68 -10.247 -0.997 -4.329 1.00 1.88 O ATOM 902 CB PRO A 68 -11.247 -0.882 -1.326 1.00 1.46 C ATOM 903 CG PRO A 68 -9.859 -1.366 -0.917 1.00 1.40 C ATOM 904 CD PRO A 68 -9.907 -2.859 -1.217 1.00 1.30 C ATOM 0 HA PRO A 68 -12.682 -2.017 -2.495 1.00 1.51 H new ATOM 0 HB2 PRO A 68 -11.235 0.168 -1.619 1.00 1.46 H new ATOM 0 HB3 PRO A 68 -11.961 -0.976 -0.508 1.00 1.46 H new ATOM 0 HG2 PRO A 68 -9.075 -0.866 -1.486 1.00 1.40 H new ATOM 0 HG3 PRO A 68 -9.660 -1.174 0.137 1.00 1.40 H new ATOM 0 HD2 PRO A 68 -8.917 -3.241 -1.465 1.00 1.30 H new ATOM 0 HD3 PRO A 68 -10.258 -3.422 -0.352 1.00 1.30 H new ATOM 912 N THR A 69 -12.470 -0.673 -4.474 1.00 1.86 N ATOM 913 CA THR A 69 -12.468 0.067 -5.735 1.00 2.10 C ATOM 914 C THR A 69 -12.064 1.527 -5.529 1.00 2.07 C ATOM 915 O THR A 69 -11.994 2.008 -4.400 1.00 1.87 O ATOM 916 CB THR A 69 -13.835 -0.048 -6.428 1.00 2.26 C ATOM 917 OG1 THR A 69 -14.858 0.520 -5.631 1.00 2.18 O ATOM 918 CG2 THR A 69 -14.233 -1.492 -6.720 1.00 2.35 C ATOM 0 H THR A 69 -13.408 -0.816 -4.099 1.00 1.86 H new ATOM 0 HA THR A 69 -11.719 -0.380 -6.388 1.00 2.10 H new ATOM 0 HB THR A 69 -13.727 0.490 -7.370 1.00 2.26 H new ATOM 0 HG1 THR A 69 -15.020 -0.051 -4.851 1.00 2.18 H new ATOM 0 HG21 THR A 69 -15.207 -1.509 -7.209 1.00 2.35 H new ATOM 0 HG22 THR A 69 -13.490 -1.949 -7.374 1.00 2.35 H new ATOM 0 HG23 THR A 69 -14.287 -2.051 -5.786 1.00 2.35 H new ATOM 926 N ALA A 70 -11.793 2.253 -6.610 1.00 2.25 N ATOM 927 CA ALA A 70 -11.167 3.581 -6.570 1.00 2.27 C ATOM 928 C ALA A 70 -11.867 4.603 -5.644 1.00 2.21 C ATOM 929 O ALA A 70 -11.181 5.314 -4.902 1.00 2.14 O ATOM 930 CB ALA A 70 -11.063 4.105 -8.008 1.00 2.48 C ATOM 0 H ALA A 70 -12.004 1.934 -7.556 1.00 2.25 H new ATOM 0 HA ALA A 70 -10.179 3.461 -6.124 1.00 2.27 H new ATOM 0 HB1 ALA A 70 -10.600 5.092 -8.003 1.00 2.48 H new ATOM 0 HB2 ALA A 70 -10.455 3.422 -8.601 1.00 2.48 H new ATOM 0 HB3 ALA A 70 -12.060 4.174 -8.443 1.00 2.48 H new ATOM 936 N ALA A 71 -13.206 4.642 -5.627 1.00 2.25 N ATOM 937 CA ALA A 71 -13.977 5.519 -4.738 1.00 2.23 C ATOM 938 C ALA A 71 -13.999 5.033 -3.274 1.00 2.00 C ATOM 939 O ALA A 71 -14.054 5.853 -2.358 1.00 1.92 O ATOM 940 CB ALA A 71 -15.394 5.674 -5.301 1.00 2.40 C ATOM 0 H ALA A 71 -13.787 4.063 -6.233 1.00 2.25 H new ATOM 0 HA ALA A 71 -13.482 6.490 -4.709 1.00 2.23 H new ATOM 0 HB1 ALA A 71 -15.976 6.324 -4.648 1.00 2.40 H new ATOM 0 HB2 ALA A 71 -15.344 6.112 -6.298 1.00 2.40 H new ATOM 0 HB3 ALA A 71 -15.872 4.696 -5.358 1.00 2.40 H new ATOM 946 N GLU A 72 -13.885 3.720 -3.032 1.00 1.92 N ATOM 947 CA GLU A 72 -13.694 3.155 -1.702 1.00 1.75 C ATOM 948 C GLU A 72 -12.298 3.515 -1.196 1.00 1.63 C ATOM 949 O GLU A 72 -12.171 4.074 -0.112 1.00 1.52 O ATOM 950 CB GLU A 72 -13.885 1.634 -1.711 1.00 1.73 C ATOM 951 CG GLU A 72 -15.267 1.203 -2.197 1.00 1.91 C ATOM 952 CD GLU A 72 -15.350 -0.321 -2.205 1.00 2.44 C ATOM 953 OE1 GLU A 72 -15.643 -0.914 -1.137 1.00 2.76 O ATOM 954 OE2 GLU A 72 -15.089 -0.922 -3.275 1.00 3.14 O ATOM 0 H GLU A 72 -13.924 3.016 -3.769 1.00 1.92 H new ATOM 0 HA GLU A 72 -14.444 3.576 -1.033 1.00 1.75 H new ATOM 0 HB2 GLU A 72 -13.126 1.183 -2.350 1.00 1.73 H new ATOM 0 HB3 GLU A 72 -13.725 1.248 -0.704 1.00 1.73 H new ATOM 0 HG2 GLU A 72 -16.038 1.617 -1.547 1.00 1.91 H new ATOM 0 HG3 GLU A 72 -15.450 1.593 -3.198 1.00 1.91 H new ATOM 961 N ARG A 73 -11.246 3.279 -1.995 1.00 1.67 N ATOM 962 CA ARG A 73 -9.876 3.688 -1.650 1.00 1.59 C ATOM 963 C ARG A 73 -9.808 5.180 -1.313 1.00 1.56 C ATOM 964 O ARG A 73 -9.215 5.538 -0.299 1.00 1.38 O ATOM 965 CB ARG A 73 -8.890 3.315 -2.772 1.00 1.80 C ATOM 966 CG ARG A 73 -8.631 1.802 -2.853 1.00 1.81 C ATOM 967 CD ARG A 73 -7.604 1.481 -3.946 1.00 2.21 C ATOM 968 NE ARG A 73 -7.225 0.052 -3.949 1.00 3.13 N ATOM 969 CZ ARG A 73 -6.015 -0.468 -3.797 1.00 4.09 C ATOM 970 NH1 ARG A 73 -4.950 0.246 -3.570 1.00 4.54 N ATOM 971 NH2 ARG A 73 -5.852 -1.752 -3.877 1.00 5.47 N ATOM 0 H ARG A 73 -11.320 2.802 -2.894 1.00 1.67 H new ATOM 0 HA ARG A 73 -9.579 3.141 -0.755 1.00 1.59 H new ATOM 0 HB2 ARG A 73 -9.283 3.664 -3.727 1.00 1.80 H new ATOM 0 HB3 ARG A 73 -7.945 3.833 -2.607 1.00 1.80 H new ATOM 0 HG2 ARG A 73 -8.270 1.439 -1.891 1.00 1.81 H new ATOM 0 HG3 ARG A 73 -9.565 1.280 -3.061 1.00 1.81 H new ATOM 0 HD2 ARG A 73 -8.015 1.749 -4.919 1.00 2.21 H new ATOM 0 HD3 ARG A 73 -6.714 2.092 -3.797 1.00 2.21 H new ATOM 0 HE ARG A 73 -7.986 -0.614 -4.084 1.00 3.13 H new ATOM 0 HH11 ARG A 73 -5.022 1.261 -3.501 1.00 4.54 H new ATOM 0 HH12 ARG A 73 -4.044 -0.210 -3.461 1.00 4.54 H new ATOM 0 HH21 ARG A 73 -6.653 -2.358 -4.056 1.00 5.47 H new ATOM 0 HH22 ARG A 73 -4.923 -2.156 -3.761 1.00 5.47 H new ATOM 985 N ASP A 74 -10.487 6.031 -2.084 1.00 1.72 N ATOM 986 CA ASP A 74 -10.603 7.466 -1.806 1.00 1.71 C ATOM 987 C ASP A 74 -11.284 7.781 -0.457 1.00 1.58 C ATOM 988 O ASP A 74 -10.687 8.470 0.377 1.00 1.48 O ATOM 989 CB ASP A 74 -11.343 8.135 -2.970 1.00 1.92 C ATOM 990 CG ASP A 74 -11.581 9.624 -2.729 1.00 1.89 C ATOM 991 OD1 ASP A 74 -10.607 10.384 -2.519 1.00 2.66 O ATOM 992 OD2 ASP A 74 -12.754 10.061 -2.738 1.00 2.01 O ATOM 0 H ASP A 74 -10.978 5.741 -2.930 1.00 1.72 H new ATOM 0 HA ASP A 74 -9.594 7.870 -1.716 1.00 1.71 H new ATOM 0 HB2 ASP A 74 -10.767 8.005 -3.886 1.00 1.92 H new ATOM 0 HB3 ASP A 74 -12.300 7.637 -3.123 1.00 1.92 H new ATOM 997 N GLU A 75 -12.506 7.286 -0.220 1.00 1.62 N ATOM 998 CA GLU A 75 -13.271 7.575 1.008 1.00 1.54 C ATOM 999 C GLU A 75 -12.645 6.953 2.269 1.00 1.28 C ATOM 1000 O GLU A 75 -12.739 7.517 3.365 1.00 1.25 O ATOM 1001 CB GLU A 75 -14.753 7.184 0.831 1.00 1.76 C ATOM 1002 CG GLU A 75 -15.061 5.678 0.851 1.00 1.72 C ATOM 1003 CD GLU A 75 -16.497 5.336 0.407 1.00 2.38 C ATOM 1004 OE1 GLU A 75 -16.999 5.888 -0.602 1.00 3.65 O ATOM 1005 OE2 GLU A 75 -17.151 4.487 1.068 1.00 2.38 O ATOM 0 H GLU A 75 -12.995 6.673 -0.872 1.00 1.62 H new ATOM 0 HA GLU A 75 -13.226 8.652 1.169 1.00 1.54 H new ATOM 0 HB2 GLU A 75 -15.331 7.663 1.621 1.00 1.76 H new ATOM 0 HB3 GLU A 75 -15.106 7.594 -0.115 1.00 1.76 H new ATOM 0 HG2 GLU A 75 -14.356 5.163 0.199 1.00 1.72 H new ATOM 0 HG3 GLU A 75 -14.901 5.296 1.859 1.00 1.72 H new ATOM 1012 N ILE A 76 -11.949 5.826 2.114 1.00 1.11 N ATOM 1013 CA ILE A 76 -11.216 5.141 3.182 1.00 0.89 C ATOM 1014 C ILE A 76 -9.933 5.904 3.519 1.00 0.83 C ATOM 1015 O ILE A 76 -9.693 6.183 4.690 1.00 0.77 O ATOM 1016 CB ILE A 76 -10.962 3.670 2.789 1.00 0.79 C ATOM 1017 CG1 ILE A 76 -12.306 2.901 2.738 1.00 0.87 C ATOM 1018 CG2 ILE A 76 -9.994 3.006 3.779 1.00 0.62 C ATOM 1019 CD1 ILE A 76 -12.260 1.627 1.889 1.00 0.88 C ATOM 0 H ILE A 76 -11.877 5.349 1.215 1.00 1.11 H new ATOM 0 HA ILE A 76 -11.816 5.125 4.092 1.00 0.89 H new ATOM 0 HB ILE A 76 -10.504 3.642 1.800 1.00 0.79 H new ATOM 0 HG12 ILE A 76 -12.602 2.639 3.754 1.00 0.87 H new ATOM 0 HG13 ILE A 76 -13.077 3.562 2.342 1.00 0.87 H new ATOM 0 HG21 ILE A 76 -9.827 1.970 3.485 1.00 0.62 H new ATOM 0 HG22 ILE A 76 -9.045 3.542 3.774 1.00 0.62 H new ATOM 0 HG23 ILE A 76 -10.422 3.035 4.781 1.00 0.62 H new ATOM 0 HD11 ILE A 76 -13.238 1.145 1.903 1.00 0.88 H new ATOM 0 HD12 ILE A 76 -11.996 1.883 0.863 1.00 0.88 H new ATOM 0 HD13 ILE A 76 -11.514 0.945 2.296 1.00 0.88 H new ATOM 1031 N LEU A 77 -9.147 6.342 2.529 1.00 0.92 N ATOM 1032 CA LEU A 77 -8.008 7.241 2.769 1.00 0.92 C ATOM 1033 C LEU A 77 -8.444 8.552 3.439 1.00 0.93 C ATOM 1034 O LEU A 77 -7.734 9.073 4.306 1.00 0.89 O ATOM 1035 CB LEU A 77 -7.314 7.553 1.441 1.00 1.08 C ATOM 1036 CG LEU A 77 -6.397 6.429 0.927 1.00 1.12 C ATOM 1037 CD1 LEU A 77 -5.991 6.782 -0.497 1.00 1.35 C ATOM 1038 CD2 LEU A 77 -5.129 6.266 1.769 1.00 1.09 C ATOM 0 H LEU A 77 -9.278 6.088 1.550 1.00 0.92 H new ATOM 0 HA LEU A 77 -7.320 6.733 3.445 1.00 0.92 H new ATOM 0 HB2 LEU A 77 -8.074 7.760 0.687 1.00 1.08 H new ATOM 0 HB3 LEU A 77 -6.725 8.462 1.557 1.00 1.08 H new ATOM 0 HG LEU A 77 -6.945 5.489 0.984 1.00 1.12 H new ATOM 0 HD11 LEU A 77 -5.339 6.004 -0.893 1.00 1.35 H new ATOM 0 HD12 LEU A 77 -6.882 6.861 -1.120 1.00 1.35 H new ATOM 0 HD13 LEU A 77 -5.462 7.735 -0.499 1.00 1.35 H new ATOM 0 HD21 LEU A 77 -4.521 5.459 1.359 1.00 1.09 H new ATOM 0 HD22 LEU A 77 -4.559 7.195 1.751 1.00 1.09 H new ATOM 0 HD23 LEU A 77 -5.403 6.028 2.797 1.00 1.09 H new ATOM 1050 N ARG A 78 -9.635 9.057 3.088 1.00 1.03 N ATOM 1051 CA ARG A 78 -10.259 10.211 3.762 1.00 1.10 C ATOM 1052 C ARG A 78 -10.604 9.904 5.220 1.00 1.06 C ATOM 1053 O ARG A 78 -10.354 10.757 6.069 1.00 1.14 O ATOM 1054 CB ARG A 78 -11.493 10.722 2.991 1.00 1.23 C ATOM 1055 CG ARG A 78 -11.075 11.510 1.745 1.00 1.35 C ATOM 1056 CD ARG A 78 -12.239 11.856 0.805 1.00 1.58 C ATOM 1057 NE ARG A 78 -11.732 12.180 -0.540 1.00 2.89 N ATOM 1058 CZ ARG A 78 -11.078 13.260 -0.926 1.00 3.92 C ATOM 1059 NH1 ARG A 78 -10.956 14.332 -0.201 1.00 4.26 N ATOM 1060 NH2 ARG A 78 -10.497 13.252 -2.083 1.00 5.32 N ATOM 0 H ARG A 78 -10.197 8.677 2.326 1.00 1.03 H new ATOM 0 HA ARG A 78 -9.519 11.011 3.766 1.00 1.10 H new ATOM 0 HB2 ARG A 78 -12.119 9.879 2.699 1.00 1.23 H new ATOM 0 HB3 ARG A 78 -12.096 11.356 3.641 1.00 1.23 H new ATOM 0 HG2 ARG A 78 -10.588 12.433 2.058 1.00 1.35 H new ATOM 0 HG3 ARG A 78 -10.335 10.931 1.193 1.00 1.35 H new ATOM 0 HD2 ARG A 78 -12.931 11.016 0.747 1.00 1.58 H new ATOM 0 HD3 ARG A 78 -12.798 12.702 1.204 1.00 1.58 H new ATOM 0 HE ARG A 78 -11.908 11.483 -1.263 1.00 2.89 H new ATOM 0 HH11 ARG A 78 -11.380 14.372 0.726 1.00 4.26 H new ATOM 0 HH12 ARG A 78 -10.437 15.133 -0.559 1.00 4.26 H new ATOM 0 HH21 ARG A 78 -10.550 12.423 -2.675 1.00 5.32 H new ATOM 0 HH22 ARG A 78 -9.986 14.075 -2.403 1.00 5.32 H new ATOM 1074 N ALA A 79 -11.087 8.691 5.502 1.00 0.99 N ATOM 1075 CA ALA A 79 -11.434 8.207 6.846 1.00 1.00 C ATOM 1076 C ALA A 79 -10.229 7.773 7.719 1.00 0.85 C ATOM 1077 O ALA A 79 -10.355 7.697 8.946 1.00 0.97 O ATOM 1078 CB ALA A 79 -12.451 7.070 6.693 1.00 1.11 C ATOM 0 H ALA A 79 -11.254 7.993 4.777 1.00 0.99 H new ATOM 0 HA ALA A 79 -11.859 9.048 7.394 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -12.726 6.692 7.678 1.00 1.11 H new ATOM 0 HB2 ALA A 79 -13.341 7.444 6.187 1.00 1.11 H new ATOM 0 HB3 ALA A 79 -12.011 6.264 6.105 1.00 1.11 H new ATOM 1084 N VAL A 80 -9.055 7.518 7.129 1.00 0.73 N ATOM 1085 CA VAL A 80 -7.763 7.439 7.840 1.00 0.72 C ATOM 1086 C VAL A 80 -7.232 8.846 8.120 1.00 0.80 C ATOM 1087 O VAL A 80 -6.688 9.110 9.195 1.00 0.88 O ATOM 1088 CB VAL A 80 -6.731 6.637 7.019 1.00 0.69 C ATOM 1089 CG1 VAL A 80 -5.363 6.569 7.703 1.00 0.83 C ATOM 1090 CG2 VAL A 80 -7.178 5.190 6.809 1.00 0.65 C ATOM 0 H VAL A 80 -8.970 7.357 6.125 1.00 0.73 H new ATOM 0 HA VAL A 80 -7.924 6.922 8.786 1.00 0.72 H new ATOM 0 HB VAL A 80 -6.655 7.168 6.070 1.00 0.69 H new ATOM 0 HG11 VAL A 80 -4.675 5.994 7.084 1.00 0.83 H new ATOM 0 HG12 VAL A 80 -4.973 7.578 7.838 1.00 0.83 H new ATOM 0 HG13 VAL A 80 -5.466 6.087 8.675 1.00 0.83 H new ATOM 0 HG21 VAL A 80 -6.426 4.658 6.227 1.00 0.65 H new ATOM 0 HG22 VAL A 80 -7.300 4.703 7.776 1.00 0.65 H new ATOM 0 HG23 VAL A 80 -8.127 5.177 6.274 1.00 0.65 H new ATOM 1100 N GLY A 81 -7.379 9.756 7.153 1.00 0.85 N ATOM 1101 CA GLY A 81 -6.919 11.147 7.244 1.00 1.00 C ATOM 1102 C GLY A 81 -5.398 11.294 7.145 1.00 1.16 C ATOM 1103 O GLY A 81 -4.852 12.350 7.455 1.00 1.44 O ATOM 0 H GLY A 81 -7.831 9.542 6.264 1.00 0.85 H new ATOM 0 HA2 GLY A 81 -7.385 11.728 6.448 1.00 1.00 H new ATOM 0 HA3 GLY A 81 -7.257 11.572 8.189 1.00 1.00 H new ATOM 1107 N ASN A 82 -4.721 10.216 6.750 1.00 1.10 N ATOM 1108 CA ASN A 82 -3.285 10.116 6.531 1.00 1.26 C ATOM 1109 C ASN A 82 -2.980 8.943 5.568 1.00 1.21 C ATOM 1110 O ASN A 82 -3.863 8.151 5.236 1.00 1.08 O ATOM 1111 CB ASN A 82 -2.596 9.934 7.903 1.00 1.36 C ATOM 1112 CG ASN A 82 -1.082 10.037 7.840 1.00 1.61 C ATOM 1113 OD1 ASN A 82 -0.512 10.641 6.941 1.00 1.77 O ATOM 1114 ND2 ASN A 82 -0.383 9.424 8.759 1.00 2.30 N ATOM 0 H ASN A 82 -5.196 9.333 6.563 1.00 1.10 H new ATOM 0 HA ASN A 82 -2.899 11.022 6.064 1.00 1.26 H new ATOM 0 HB2 ASN A 82 -2.975 10.687 8.594 1.00 1.36 H new ATOM 0 HB3 ASN A 82 -2.869 8.961 8.311 1.00 1.36 H new ATOM 0 HD21 ASN A 82 0.636 9.449 8.726 1.00 2.30 H new ATOM 0 HD22 ASN A 82 -0.857 8.920 9.509 1.00 2.30 H new ATOM 1121 N MET A 83 -1.725 8.806 5.144 1.00 1.35 N ATOM 1122 CA MET A 83 -1.217 7.683 4.365 1.00 1.28 C ATOM 1123 C MET A 83 -1.100 6.426 5.257 1.00 1.20 C ATOM 1124 O MET A 83 -0.498 6.504 6.336 1.00 1.34 O ATOM 1125 CB MET A 83 0.155 8.090 3.795 1.00 1.46 C ATOM 1126 CG MET A 83 0.589 7.328 2.540 1.00 1.38 C ATOM 1127 SD MET A 83 0.073 8.053 0.954 1.00 1.45 S ATOM 1128 CE MET A 83 -1.572 7.329 0.729 1.00 1.27 C ATOM 0 H MET A 83 -1.007 9.503 5.343 1.00 1.35 H new ATOM 0 HA MET A 83 -1.897 7.439 3.549 1.00 1.28 H new ATOM 0 HB2 MET A 83 0.134 9.155 3.565 1.00 1.46 H new ATOM 0 HB3 MET A 83 0.910 7.945 4.568 1.00 1.46 H new ATOM 0 HG2 MET A 83 1.676 7.248 2.545 1.00 1.38 H new ATOM 0 HG3 MET A 83 0.194 6.314 2.599 1.00 1.38 H new ATOM 0 HE1 MET A 83 -1.922 7.528 -0.284 1.00 1.27 H new ATOM 0 HE2 MET A 83 -1.521 6.252 0.890 1.00 1.27 H new ATOM 0 HE3 MET A 83 -2.265 7.771 1.445 1.00 1.27 H new ATOM 1138 N PRO A 84 -1.590 5.246 4.828 1.00 1.07 N ATOM 1139 CA PRO A 84 -1.410 4.002 5.574 1.00 1.09 C ATOM 1140 C PRO A 84 -0.014 3.387 5.387 1.00 1.16 C ATOM 1141 O PRO A 84 0.289 2.358 5.995 1.00 1.26 O ATOM 1142 CB PRO A 84 -2.537 3.086 5.093 1.00 1.00 C ATOM 1143 CG PRO A 84 -2.850 3.544 3.668 1.00 0.93 C ATOM 1144 CD PRO A 84 -2.413 5.018 3.649 1.00 0.99 C ATOM 0 HA PRO A 84 -1.465 4.170 6.650 1.00 1.09 H new ATOM 0 HB2 PRO A 84 -2.229 2.041 5.111 1.00 1.00 H new ATOM 0 HB3 PRO A 84 -3.414 3.171 5.735 1.00 1.00 H new ATOM 0 HG2 PRO A 84 -2.304 2.956 2.930 1.00 0.93 H new ATOM 0 HG3 PRO A 84 -3.910 3.439 3.438 1.00 0.93 H new ATOM 0 HD2 PRO A 84 -1.852 5.240 2.741 1.00 0.99 H new ATOM 0 HD3 PRO A 84 -3.282 5.676 3.655 1.00 0.99 H new ATOM 1152 N TYR A 85 0.822 4.016 4.551 1.00 1.16 N ATOM 1153 CA TYR A 85 2.157 3.567 4.149 1.00 1.28 C ATOM 1154 C TYR A 85 3.193 3.909 5.229 1.00 1.71 C ATOM 1155 O TYR A 85 3.425 5.116 5.475 1.00 1.95 O ATOM 1156 CB TYR A 85 2.533 4.213 2.798 1.00 1.40 C ATOM 1157 CG TYR A 85 1.577 4.180 1.608 1.00 1.27 C ATOM 1158 CD1 TYR A 85 0.351 3.480 1.614 1.00 1.70 C ATOM 1159 CD2 TYR A 85 1.941 4.916 0.463 1.00 2.33 C ATOM 1160 CE1 TYR A 85 -0.514 3.546 0.503 1.00 1.78 C ATOM 1161 CE2 TYR A 85 1.095 4.960 -0.661 1.00 2.40 C ATOM 1162 CZ TYR A 85 -0.131 4.268 -0.648 1.00 1.49 C ATOM 1163 OH TYR A 85 -0.906 4.263 -1.762 1.00 1.75 O ATOM 0 H TYR A 85 0.568 4.902 4.113 1.00 1.16 H new ATOM 0 HA TYR A 85 2.149 2.483 4.031 1.00 1.28 H new ATOM 0 HB2 TYR A 85 2.755 5.261 2.998 1.00 1.40 H new ATOM 0 HB3 TYR A 85 3.463 3.747 2.471 1.00 1.40 H new ATOM 0 HD1 TYR A 85 0.074 2.890 2.475 1.00 1.70 H new ATOM 0 HD2 TYR A 85 2.879 5.452 0.448 1.00 2.33 H new ATOM 0 HE1 TYR A 85 -1.470 3.044 0.532 1.00 1.78 H new ATOM 0 HE2 TYR A 85 1.387 5.525 -1.534 1.00 2.40 H new ATOM 0 HH TYR A 85 -0.487 4.815 -2.455 1.00 1.75 H new TER 1173 TYR A 85