USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 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 5 LYS NZ :NH3+ 170:sc= 0.0299 (180deg=0.0163) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 20 THR OG1 : rot -4:sc= 1.03 USER MOD Single : A 22 HIS : no HD1:sc= -10.3! C(o=-10!,f=-15!) USER MOD Single : A 23 LYS NZ :NH3+ 149:sc= 0.324 (180deg=-0.698) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -82:sc= 1.14 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -166:sc= 0 (180deg=-0.381) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 0.00705 (180deg=0.00702) USER MOD Single : A 61 ASN : amide:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 65 THR OG1 : rot 54:sc= 1.16 USER MOD Single : A 68 SER OG : rot -150:sc= -0.53 USER MOD Single : A 74 LYS NZ :NH3+ -164:sc= -2.18! (180deg=-2.26!) USER MOD Single : A 76 THR OG1 : rot 96:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -8.067 8.471 0.259 1.00 0.00 N ATOM 14 CA ILE A 2 -6.733 7.969 0.694 1.00 0.00 C ATOM 15 C ILE A 2 -5.811 7.854 -0.521 1.00 0.00 C ATOM 16 O ILE A 2 -6.050 7.074 -1.422 1.00 0.00 O ATOM 17 CB ILE A 2 -6.892 6.595 1.345 1.00 0.00 C ATOM 18 CG1 ILE A 2 -7.864 6.699 2.523 1.00 0.00 C ATOM 19 CG2 ILE A 2 -5.533 6.107 1.849 1.00 0.00 C ATOM 20 CD1 ILE A 2 -9.291 6.453 2.032 1.00 0.00 C ATOM 0 HA ILE A 2 -6.301 8.664 1.414 1.00 0.00 H new ATOM 0 HB ILE A 2 -7.282 5.889 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -7.602 5.970 3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.791 7.685 2.982 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.647 5.127 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.839 6.033 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.142 6.812 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.982 6.527 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.551 7.199 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -9.358 5.457 1.593 1.00 0.00 H new ATOM 32 N ASP A 3 -4.758 8.624 -0.554 1.00 0.00 N ATOM 33 CA ASP A 3 -3.822 8.557 -1.712 1.00 0.00 C ATOM 34 C ASP A 3 -2.751 7.498 -1.441 1.00 0.00 C ATOM 35 O ASP A 3 -2.164 7.452 -0.378 1.00 0.00 O ATOM 36 CB ASP A 3 -3.154 9.920 -1.907 1.00 0.00 C ATOM 37 CG ASP A 3 -2.071 9.808 -2.981 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.948 8.742 -3.562 1.00 0.00 O ATOM 39 OD2 ASP A 3 -1.383 10.790 -3.206 1.00 0.00 O ATOM 0 H ASP A 3 -4.505 9.296 0.170 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.376 8.292 -2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.896 10.662 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.717 10.260 -0.968 1.00 0.00 H new ATOM 44 N ILE A 4 -2.491 6.646 -2.395 1.00 0.00 N ATOM 45 CA ILE A 4 -1.459 5.591 -2.191 1.00 0.00 C ATOM 46 C ILE A 4 -0.153 6.020 -2.863 1.00 0.00 C ATOM 47 O ILE A 4 -0.116 6.309 -4.043 1.00 0.00 O ATOM 48 CB ILE A 4 -1.942 4.278 -2.808 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.250 3.851 -2.136 1.00 0.00 C ATOM 50 CG2 ILE A 4 -0.885 3.193 -2.595 1.00 0.00 C ATOM 51 CD1 ILE A 4 -3.896 2.725 -2.945 1.00 0.00 C ATOM 0 H ILE A 4 -2.949 6.635 -3.306 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.290 5.450 -1.124 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.108 4.419 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.055 3.516 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.930 4.700 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.230 2.257 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.048 3.495 -3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.718 3.052 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -4.827 2.421 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.105 3.077 -3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.217 1.874 -2.990 1.00 0.00 H new ATOM 63 N LYS A 5 0.921 6.063 -2.122 1.00 0.00 N ATOM 64 CA LYS A 5 2.222 6.473 -2.720 1.00 0.00 C ATOM 65 C LYS A 5 3.253 5.361 -2.509 1.00 0.00 C ATOM 66 O LYS A 5 2.986 4.369 -1.861 1.00 0.00 O ATOM 67 CB LYS A 5 2.712 7.756 -2.046 1.00 0.00 C ATOM 68 CG LYS A 5 1.529 8.702 -1.827 1.00 0.00 C ATOM 69 CD LYS A 5 2.035 10.143 -1.748 1.00 0.00 C ATOM 70 CE LYS A 5 1.245 11.017 -2.725 1.00 0.00 C ATOM 71 NZ LYS A 5 2.171 11.969 -3.400 1.00 0.00 N ATOM 0 H LYS A 5 0.953 5.832 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 5 2.091 6.651 -3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.184 7.521 -1.092 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.468 8.239 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.813 8.601 -2.643 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.005 8.439 -0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.924 10.523 -0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.098 10.180 -1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.745 10.393 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.468 11.565 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.673 12.444 -4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.498 12.680 -2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.989 11.449 -3.777 1.00 0.00 H new ATOM 85 N ALA A 6 4.429 5.520 -3.051 1.00 0.00 N ATOM 86 CA ALA A 6 5.475 4.472 -2.880 1.00 0.00 C ATOM 87 C ALA A 6 6.125 4.619 -1.501 1.00 0.00 C ATOM 88 O ALA A 6 6.027 5.658 -0.879 1.00 0.00 O ATOM 89 CB ALA A 6 6.541 4.635 -3.966 1.00 0.00 C ATOM 0 H ALA A 6 4.711 6.329 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 6 5.018 3.486 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.307 3.869 -3.842 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.079 4.531 -4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.998 5.621 -3.883 1.00 0.00 H new ATOM 95 N PRO A 7 6.772 3.568 -1.066 1.00 0.00 N ATOM 96 CA PRO A 7 7.454 3.539 0.239 1.00 0.00 C ATOM 97 C PRO A 7 8.791 4.282 0.159 1.00 0.00 C ATOM 98 O PRO A 7 9.218 4.700 -0.899 1.00 0.00 O ATOM 99 CB PRO A 7 7.673 2.045 0.496 1.00 0.00 C ATOM 100 CG PRO A 7 7.630 1.353 -0.888 1.00 0.00 C ATOM 101 CD PRO A 7 6.882 2.311 -1.835 1.00 0.00 C ATOM 0 HA PRO A 7 6.885 4.024 1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.630 1.872 0.987 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.900 1.647 1.154 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.637 1.155 -1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.119 0.392 -0.825 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.430 2.460 -2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.900 1.921 -2.103 1.00 0.00 H new ATOM 109 N THR A 8 9.455 4.449 1.270 1.00 0.00 N ATOM 110 CA THR A 8 10.762 5.164 1.256 1.00 0.00 C ATOM 111 C THR A 8 11.896 4.151 1.083 1.00 0.00 C ATOM 112 O THR A 8 11.922 3.119 1.724 1.00 0.00 O ATOM 113 CB THR A 8 10.947 5.915 2.577 1.00 0.00 C ATOM 114 OG1 THR A 8 9.737 6.580 2.914 1.00 0.00 O ATOM 115 CG2 THR A 8 12.071 6.941 2.430 1.00 0.00 C ATOM 0 H THR A 8 9.149 4.121 2.186 1.00 0.00 H new ATOM 0 HA THR A 8 10.779 5.874 0.429 1.00 0.00 H new ATOM 0 HB THR A 8 11.206 5.208 3.365 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.852 7.060 3.760 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.202 7.475 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.998 6.430 2.171 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.815 7.650 1.643 1.00 0.00 H new ATOM 123 N PHE A 9 12.834 4.437 0.222 1.00 0.00 N ATOM 124 CA PHE A 9 13.964 3.490 0.009 1.00 0.00 C ATOM 125 C PHE A 9 15.191 3.977 0.787 1.00 0.00 C ATOM 126 O PHE A 9 15.314 5.150 1.076 1.00 0.00 O ATOM 127 CB PHE A 9 14.300 3.424 -1.482 1.00 0.00 C ATOM 128 CG PHE A 9 13.026 3.273 -2.279 1.00 0.00 C ATOM 129 CD1 PHE A 9 12.286 2.086 -2.200 1.00 0.00 C ATOM 130 CD2 PHE A 9 12.583 4.322 -3.096 1.00 0.00 C ATOM 131 CE1 PHE A 9 11.104 1.946 -2.940 1.00 0.00 C ATOM 132 CE2 PHE A 9 11.400 4.183 -3.835 1.00 0.00 C ATOM 133 CZ PHE A 9 10.661 2.995 -3.757 1.00 0.00 C ATOM 0 H PHE A 9 12.866 5.286 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 9 13.679 2.499 0.362 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.828 4.328 -1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.966 2.584 -1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.626 1.279 -1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.153 5.237 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.535 1.030 -2.881 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.058 4.991 -4.464 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.750 2.888 -4.327 1.00 0.00 H new ATOM 143 N PRO A 10 16.063 3.053 1.102 1.00 0.00 N ATOM 144 CA PRO A 10 17.298 3.349 1.848 1.00 0.00 C ATOM 145 C PRO A 10 18.347 3.971 0.922 1.00 0.00 C ATOM 146 O PRO A 10 18.030 4.490 -0.130 1.00 0.00 O ATOM 147 CB PRO A 10 17.754 1.974 2.345 1.00 0.00 C ATOM 148 CG PRO A 10 17.101 0.932 1.406 1.00 0.00 C ATOM 149 CD PRO A 10 15.899 1.629 0.742 1.00 0.00 C ATOM 0 HA PRO A 10 17.149 4.063 2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.841 1.893 2.320 1.00 0.00 H new ATOM 0 HB3 PRO A 10 17.446 1.813 3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 10 17.812 0.588 0.655 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.779 0.054 1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.904 1.488 -0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.954 1.231 1.111 1.00 0.00 H new ATOM 157 N GLU A 11 19.594 3.922 1.305 1.00 0.00 N ATOM 158 CA GLU A 11 20.660 4.510 0.446 1.00 0.00 C ATOM 159 C GLU A 11 20.983 3.547 -0.698 1.00 0.00 C ATOM 160 O GLU A 11 20.867 3.887 -1.859 1.00 0.00 O ATOM 161 CB GLU A 11 21.918 4.745 1.285 1.00 0.00 C ATOM 162 CG GLU A 11 21.841 6.121 1.948 1.00 0.00 C ATOM 163 CD GLU A 11 22.506 6.064 3.324 1.00 0.00 C ATOM 164 OE1 GLU A 11 22.127 5.209 4.108 1.00 0.00 O ATOM 165 OE2 GLU A 11 23.383 6.875 3.571 1.00 0.00 O ATOM 0 H GLU A 11 19.920 3.501 2.175 1.00 0.00 H new ATOM 0 HA GLU A 11 20.314 5.458 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.011 3.969 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.805 4.683 0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.336 6.865 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.801 6.430 2.048 1.00 0.00 H new ATOM 172 N SER A 12 21.389 2.348 -0.380 1.00 0.00 N ATOM 173 CA SER A 12 21.722 1.363 -1.445 1.00 0.00 C ATOM 174 C SER A 12 20.666 1.425 -2.551 1.00 0.00 C ATOM 175 O SER A 12 20.983 1.436 -3.724 1.00 0.00 O ATOM 176 CB SER A 12 21.750 -0.044 -0.846 1.00 0.00 C ATOM 177 OG SER A 12 21.915 -0.995 -1.890 1.00 0.00 O ATOM 0 H SER A 12 21.504 2.008 0.575 1.00 0.00 H new ATOM 0 HA SER A 12 22.699 1.601 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.565 -0.130 -0.128 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.825 -0.239 -0.303 1.00 0.00 H new ATOM 0 HG SER A 12 21.935 -1.898 -1.510 1.00 0.00 H new ATOM 183 N ILE A 13 19.414 1.465 -2.187 1.00 0.00 N ATOM 184 CA ILE A 13 18.340 1.527 -3.219 1.00 0.00 C ATOM 185 C ILE A 13 17.777 2.947 -3.284 1.00 0.00 C ATOM 186 O ILE A 13 17.543 3.580 -2.274 1.00 0.00 O ATOM 187 CB ILE A 13 17.221 0.551 -2.849 1.00 0.00 C ATOM 188 CG1 ILE A 13 17.780 -0.874 -2.813 1.00 0.00 C ATOM 189 CG2 ILE A 13 16.106 0.634 -3.892 1.00 0.00 C ATOM 190 CD1 ILE A 13 18.173 -1.304 -4.228 1.00 0.00 C ATOM 0 H ILE A 13 19.088 1.457 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 13 18.753 1.255 -4.190 1.00 0.00 H new ATOM 0 HB ILE A 13 16.821 0.811 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 13 18.647 -0.919 -2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.035 -1.558 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.309 -0.061 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.708 1.648 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.505 0.374 -4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.571 -2.318 -4.203 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.296 -1.274 -4.874 1.00 0.00 H new ATOM 0 HD13 ILE A 13 18.933 -0.626 -4.617 1.00 0.00 H new ATOM 202 N ALA A 14 17.557 3.454 -4.467 1.00 0.00 N ATOM 203 CA ALA A 14 17.009 4.834 -4.595 1.00 0.00 C ATOM 204 C ALA A 14 15.661 4.782 -5.317 1.00 0.00 C ATOM 205 O ALA A 14 15.167 5.780 -5.803 1.00 0.00 O ATOM 206 CB ALA A 14 17.984 5.698 -5.398 1.00 0.00 C ATOM 0 H ALA A 14 17.733 2.973 -5.349 1.00 0.00 H new ATOM 0 HA ALA A 14 16.874 5.265 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.583 6.707 -5.492 1.00 0.00 H new ATOM 0 HB2 ALA A 14 18.945 5.735 -4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.119 5.268 -6.390 1.00 0.00 H new ATOM 212 N ASP A 15 15.061 3.625 -5.391 1.00 0.00 N ATOM 213 CA ASP A 15 13.746 3.511 -6.082 1.00 0.00 C ATOM 214 C ASP A 15 13.139 2.135 -5.798 1.00 0.00 C ATOM 215 O ASP A 15 13.628 1.389 -4.974 1.00 0.00 O ATOM 216 CB ASP A 15 13.945 3.678 -7.590 1.00 0.00 C ATOM 217 CG ASP A 15 15.293 3.080 -7.997 1.00 0.00 C ATOM 218 OD1 ASP A 15 16.304 3.567 -7.516 1.00 0.00 O ATOM 219 OD2 ASP A 15 15.292 2.147 -8.782 1.00 0.00 O ATOM 0 H ASP A 15 15.425 2.755 -5.003 1.00 0.00 H new ATOM 0 HA ASP A 15 13.075 4.288 -5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.138 3.184 -8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.908 4.734 -7.858 1.00 0.00 H new ATOM 224 N GLY A 16 12.076 1.795 -6.474 1.00 0.00 N ATOM 225 CA GLY A 16 11.438 0.468 -6.242 1.00 0.00 C ATOM 226 C GLY A 16 10.799 -0.027 -7.540 1.00 0.00 C ATOM 227 O GLY A 16 11.002 0.537 -8.597 1.00 0.00 O ATOM 0 H GLY A 16 11.622 2.378 -7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.182 -0.249 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.683 0.548 -5.460 1.00 0.00 H new ATOM 231 N THR A 17 10.028 -1.077 -7.471 1.00 0.00 N ATOM 232 CA THR A 17 9.377 -1.606 -8.702 1.00 0.00 C ATOM 233 C THR A 17 8.047 -2.266 -8.333 1.00 0.00 C ATOM 234 O THR A 17 7.981 -3.103 -7.455 1.00 0.00 O ATOM 235 CB THR A 17 10.294 -2.640 -9.360 1.00 0.00 C ATOM 236 OG1 THR A 17 11.648 -2.253 -9.176 1.00 0.00 O ATOM 237 CG2 THR A 17 9.983 -2.722 -10.856 1.00 0.00 C ATOM 0 H THR A 17 9.821 -1.592 -6.615 1.00 0.00 H new ATOM 0 HA THR A 17 9.195 -0.786 -9.397 1.00 0.00 H new ATOM 0 HB THR A 17 10.129 -3.616 -8.904 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.237 -2.914 -9.595 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.636 -3.458 -11.324 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.943 -3.019 -10.996 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.147 -1.747 -11.316 1.00 0.00 H new ATOM 245 N VAL A 18 6.986 -1.897 -8.997 1.00 0.00 N ATOM 246 CA VAL A 18 5.662 -2.505 -8.683 1.00 0.00 C ATOM 247 C VAL A 18 5.756 -4.026 -8.819 1.00 0.00 C ATOM 248 O VAL A 18 6.573 -4.544 -9.554 1.00 0.00 O ATOM 249 CB VAL A 18 4.611 -1.969 -9.657 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.243 -2.558 -9.307 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.550 -0.444 -9.551 1.00 0.00 C ATOM 0 H VAL A 18 6.979 -1.201 -9.743 1.00 0.00 H new ATOM 0 HA VAL A 18 5.376 -2.248 -7.663 1.00 0.00 H new ATOM 0 HB VAL A 18 4.880 -2.254 -10.674 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.494 -2.176 -10.001 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.285 -3.645 -9.380 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.974 -2.273 -8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.802 -0.061 -10.245 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.281 -0.160 -8.534 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.524 -0.023 -9.799 1.00 0.00 H new ATOM 261 N ALA A 19 4.925 -4.746 -8.116 1.00 0.00 N ATOM 262 CA ALA A 19 4.969 -6.233 -8.206 1.00 0.00 C ATOM 263 C ALA A 19 3.912 -6.717 -9.200 1.00 0.00 C ATOM 264 O ALA A 19 4.224 -7.140 -10.295 1.00 0.00 O ATOM 265 CB ALA A 19 4.687 -6.835 -6.828 1.00 0.00 C ATOM 0 H ALA A 19 4.218 -4.369 -7.484 1.00 0.00 H new ATOM 0 HA ALA A 19 5.956 -6.547 -8.545 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.719 -7.923 -6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.441 -6.491 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.700 -6.521 -6.489 1.00 0.00 H new ATOM 271 N THR A 20 2.662 -6.659 -8.828 1.00 0.00 N ATOM 272 CA THR A 20 1.588 -7.117 -9.753 1.00 0.00 C ATOM 273 C THR A 20 0.250 -6.510 -9.325 1.00 0.00 C ATOM 274 O THR A 20 -0.112 -6.536 -8.166 1.00 0.00 O ATOM 275 CB THR A 20 1.493 -8.644 -9.705 1.00 0.00 C ATOM 276 OG1 THR A 20 2.637 -9.208 -10.331 1.00 0.00 O ATOM 277 CG2 THR A 20 0.231 -9.103 -10.437 1.00 0.00 C ATOM 0 H THR A 20 2.339 -6.314 -7.924 1.00 0.00 H new ATOM 0 HA THR A 20 1.823 -6.797 -10.768 1.00 0.00 H new ATOM 0 HB THR A 20 1.447 -8.972 -8.667 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.189 -8.492 -10.709 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.165 -10.190 -10.402 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.646 -8.671 -9.956 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.274 -8.776 -11.476 1.00 0.00 H new ATOM 285 N TRP A 21 -0.488 -5.964 -10.253 1.00 0.00 N ATOM 286 CA TRP A 21 -1.796 -5.358 -9.908 1.00 0.00 C ATOM 287 C TRP A 21 -2.895 -6.417 -10.017 1.00 0.00 C ATOM 288 O TRP A 21 -3.574 -6.518 -11.020 1.00 0.00 O ATOM 289 CB TRP A 21 -2.079 -4.222 -10.887 1.00 0.00 C ATOM 290 CG TRP A 21 -1.544 -2.941 -10.335 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.362 -2.376 -10.679 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.148 -2.055 -9.350 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.206 -1.201 -9.965 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.277 -0.962 -9.136 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.355 -2.093 -8.628 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.586 0.055 -8.242 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.674 -1.066 -7.721 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.789 0.007 -7.529 1.00 0.00 C ATOM 0 H TRP A 21 -0.235 -5.914 -11.240 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.773 -4.973 -8.888 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.617 -4.435 -11.851 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.152 -4.136 -11.060 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.343 -2.777 -11.393 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.605 -0.587 -10.044 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.040 -2.915 -8.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.902 0.878 -8.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.603 -1.103 -7.171 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.036 0.794 -6.832 1.00 0.00 H new ATOM 309 N HIS A 22 -3.070 -7.210 -8.995 1.00 0.00 N ATOM 310 CA HIS A 22 -4.129 -8.271 -9.046 1.00 0.00 C ATOM 311 C HIS A 22 -5.404 -7.689 -9.661 1.00 0.00 C ATOM 312 O HIS A 22 -5.835 -8.095 -10.722 1.00 0.00 O ATOM 313 CB HIS A 22 -4.446 -8.788 -7.635 1.00 0.00 C ATOM 314 CG HIS A 22 -3.209 -8.729 -6.790 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.811 -7.562 -6.164 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.244 -9.660 -6.500 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.650 -7.811 -5.545 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.257 -9.077 -5.712 1.00 0.00 N ATOM 0 H HIS A 22 -2.531 -7.174 -8.130 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.762 -9.098 -9.653 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.236 -8.186 -7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.816 -9.812 -7.686 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.250 -10.688 -6.832 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -1.097 -7.076 -4.978 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.416 -9.520 -5.342 1.00 0.00 H new ATOM 326 N LYS A 23 -6.012 -6.741 -9.002 1.00 0.00 N ATOM 327 CA LYS A 23 -7.259 -6.136 -9.548 1.00 0.00 C ATOM 328 C LYS A 23 -6.916 -4.852 -10.306 1.00 0.00 C ATOM 329 O LYS A 23 -5.768 -4.468 -10.410 1.00 0.00 O ATOM 330 CB LYS A 23 -8.214 -5.809 -8.397 1.00 0.00 C ATOM 331 CG LYS A 23 -9.427 -6.739 -8.459 1.00 0.00 C ATOM 332 CD LYS A 23 -8.992 -8.168 -8.129 1.00 0.00 C ATOM 333 CE LYS A 23 -9.138 -9.047 -9.372 1.00 0.00 C ATOM 334 NZ LYS A 23 -7.947 -9.935 -9.496 1.00 0.00 N ATOM 0 H LYS A 23 -5.699 -6.360 -8.109 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.736 -6.842 -10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.702 -5.925 -7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.536 -4.770 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.189 -6.408 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.875 -6.704 -9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.957 -8.174 -7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.600 -8.566 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.046 -9.646 -9.302 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.235 -8.424 -10.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.226 -10.829 -9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.223 -9.465 -10.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.560 -10.131 -8.551 1.00 0.00 H new ATOM 348 N LYS A 24 -7.904 -4.185 -10.838 1.00 0.00 N ATOM 349 CA LYS A 24 -7.638 -2.927 -11.590 1.00 0.00 C ATOM 350 C LYS A 24 -8.491 -1.795 -11.010 1.00 0.00 C ATOM 351 O LYS A 24 -9.387 -2.036 -10.225 1.00 0.00 O ATOM 352 CB LYS A 24 -7.994 -3.130 -13.064 1.00 0.00 C ATOM 353 CG LYS A 24 -6.711 -3.207 -13.894 1.00 0.00 C ATOM 354 CD LYS A 24 -6.840 -4.323 -14.932 1.00 0.00 C ATOM 355 CE LYS A 24 -5.900 -5.473 -14.567 1.00 0.00 C ATOM 356 NZ LYS A 24 -5.901 -6.483 -15.662 1.00 0.00 N ATOM 0 H LYS A 24 -8.885 -4.458 -10.784 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.583 -2.668 -11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.574 -4.045 -13.186 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.618 -2.308 -13.415 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.529 -2.254 -14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.856 -3.397 -13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.869 -4.680 -14.972 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.596 -3.941 -15.924 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.890 -5.095 -14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.219 -5.934 -13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.262 -7.265 -15.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.865 -6.852 -15.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.577 -6.038 -16.545 1.00 0.00 H new ATOM 370 N PRO A 25 -8.185 -0.591 -11.420 1.00 0.00 N ATOM 371 CA PRO A 25 -8.906 0.611 -10.964 1.00 0.00 C ATOM 372 C PRO A 25 -10.259 0.723 -11.673 1.00 0.00 C ATOM 373 O PRO A 25 -10.336 0.750 -12.885 1.00 0.00 O ATOM 374 CB PRO A 25 -7.979 1.761 -11.369 1.00 0.00 C ATOM 375 CG PRO A 25 -7.083 1.217 -12.507 1.00 0.00 C ATOM 376 CD PRO A 25 -7.093 -0.317 -12.376 1.00 0.00 C ATOM 0 HA PRO A 25 -9.123 0.602 -9.896 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.554 2.624 -11.706 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.376 2.090 -10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.463 1.526 -13.481 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.069 1.607 -12.422 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.275 -0.798 -13.337 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.138 -0.692 -12.008 1.00 0.00 H new ATOM 384 N GLY A 26 -11.327 0.786 -10.925 1.00 0.00 N ATOM 385 CA GLY A 26 -12.673 0.895 -11.555 1.00 0.00 C ATOM 386 C GLY A 26 -13.488 -0.359 -11.237 1.00 0.00 C ATOM 387 O GLY A 26 -14.525 -0.603 -11.822 1.00 0.00 O ATOM 0 H GLY A 26 -11.325 0.767 -9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.189 1.781 -11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.573 1.013 -12.634 1.00 0.00 H new ATOM 391 N GLU A 27 -13.029 -1.158 -10.312 1.00 0.00 N ATOM 392 CA GLU A 27 -13.778 -2.396 -9.957 1.00 0.00 C ATOM 393 C GLU A 27 -14.209 -2.328 -8.491 1.00 0.00 C ATOM 394 O GLU A 27 -14.058 -1.316 -7.835 1.00 0.00 O ATOM 395 CB GLU A 27 -12.877 -3.615 -10.168 1.00 0.00 C ATOM 396 CG GLU A 27 -12.210 -3.526 -11.542 1.00 0.00 C ATOM 397 CD GLU A 27 -12.678 -4.692 -12.414 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.107 -5.689 -11.855 1.00 0.00 O ATOM 399 OE2 GLU A 27 -12.600 -4.569 -13.625 1.00 0.00 O ATOM 0 H GLU A 27 -12.168 -1.006 -9.787 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.660 -2.482 -10.591 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.119 -3.659 -9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.464 -4.531 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.461 -2.578 -12.019 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.126 -3.552 -11.434 1.00 0.00 H new ATOM 406 N ALA A 28 -14.746 -3.398 -7.971 1.00 0.00 N ATOM 407 CA ALA A 28 -15.187 -3.394 -6.547 1.00 0.00 C ATOM 408 C ALA A 28 -14.113 -4.052 -5.679 1.00 0.00 C ATOM 409 O ALA A 28 -13.349 -4.878 -6.138 1.00 0.00 O ATOM 410 CB ALA A 28 -16.497 -4.174 -6.417 1.00 0.00 C ATOM 0 H ALA A 28 -14.898 -4.274 -8.470 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.342 -2.367 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.820 -4.172 -5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.262 -3.705 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.343 -5.201 -6.747 1.00 0.00 H new ATOM 416 N VAL A 29 -14.047 -3.692 -4.426 1.00 0.00 N ATOM 417 CA VAL A 29 -13.022 -4.297 -3.529 1.00 0.00 C ATOM 418 C VAL A 29 -13.652 -4.605 -2.169 1.00 0.00 C ATOM 419 O VAL A 29 -14.698 -4.089 -1.828 1.00 0.00 O ATOM 420 CB VAL A 29 -11.864 -3.316 -3.344 1.00 0.00 C ATOM 421 CG1 VAL A 29 -12.413 -1.946 -2.944 1.00 0.00 C ATOM 422 CG2 VAL A 29 -10.932 -3.832 -2.245 1.00 0.00 C ATOM 0 H VAL A 29 -14.659 -3.005 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.649 -5.220 -3.974 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.311 -3.226 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.587 -1.247 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -13.078 -1.578 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.966 -2.034 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.106 -3.134 -2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -11.486 -3.922 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -10.540 -4.808 -2.529 1.00 0.00 H new ATOM 432 N LYS A 30 -13.025 -5.443 -1.390 1.00 0.00 N ATOM 433 CA LYS A 30 -13.588 -5.782 -0.053 1.00 0.00 C ATOM 434 C LYS A 30 -12.476 -5.737 0.996 1.00 0.00 C ATOM 435 O LYS A 30 -11.451 -6.373 0.854 1.00 0.00 O ATOM 436 CB LYS A 30 -14.192 -7.188 -0.096 1.00 0.00 C ATOM 437 CG LYS A 30 -15.353 -7.276 0.896 1.00 0.00 C ATOM 438 CD LYS A 30 -16.644 -7.603 0.143 1.00 0.00 C ATOM 439 CE LYS A 30 -17.056 -9.046 0.438 1.00 0.00 C ATOM 440 NZ LYS A 30 -16.692 -9.913 -0.718 1.00 0.00 N ATOM 0 H LYS A 30 -12.147 -5.908 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.363 -5.061 0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.543 -7.414 -1.103 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.432 -7.929 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.150 -8.044 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.461 -6.332 1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.437 -6.918 0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.497 -7.468 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.560 -9.400 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.129 -9.099 0.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.972 -10.894 -0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.185 -9.579 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.665 -9.871 -0.873 1.00 0.00 H new ATOM 454 N ARG A 31 -12.669 -4.986 2.047 1.00 0.00 N ATOM 455 CA ARG A 31 -11.626 -4.896 3.104 1.00 0.00 C ATOM 456 C ARG A 31 -11.059 -6.289 3.388 1.00 0.00 C ATOM 457 O ARG A 31 -11.756 -7.281 3.306 1.00 0.00 O ATOM 458 CB ARG A 31 -12.244 -4.327 4.383 1.00 0.00 C ATOM 459 CG ARG A 31 -11.166 -4.203 5.461 1.00 0.00 C ATOM 460 CD ARG A 31 -11.759 -3.536 6.703 1.00 0.00 C ATOM 461 NE ARG A 31 -12.729 -4.464 7.350 1.00 0.00 N ATOM 462 CZ ARG A 31 -12.558 -4.823 8.593 1.00 0.00 C ATOM 463 NH1 ARG A 31 -12.934 -4.030 9.559 1.00 0.00 N ATOM 464 NH2 ARG A 31 -12.013 -5.975 8.870 1.00 0.00 N ATOM 0 H ARG A 31 -13.507 -4.430 2.218 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.823 -4.242 2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.686 -3.351 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.048 -4.976 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.777 -5.189 5.716 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.328 -3.616 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.965 -3.276 7.403 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.257 -2.607 6.427 1.00 0.00 H new ATOM 0 HE ARG A 31 -13.526 -4.818 6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.362 -3.130 9.342 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.800 -4.311 10.530 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.720 -6.595 8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.879 -6.256 9.842 1.00 0.00 H new ATOM 478 N ASP A 32 -9.801 -6.371 3.722 1.00 0.00 N ATOM 479 CA ASP A 32 -9.192 -7.700 4.010 1.00 0.00 C ATOM 480 C ASP A 32 -8.959 -8.450 2.697 1.00 0.00 C ATOM 481 O ASP A 32 -9.066 -9.659 2.634 1.00 0.00 O ATOM 482 CB ASP A 32 -10.135 -8.511 4.901 1.00 0.00 C ATOM 483 CG ASP A 32 -9.326 -9.518 5.720 1.00 0.00 C ATOM 484 OD1 ASP A 32 -8.659 -9.096 6.650 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.386 -10.695 5.402 1.00 0.00 O ATOM 0 H ASP A 32 -9.168 -5.576 3.808 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.240 -7.560 4.522 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.686 -7.846 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.871 -9.032 4.289 1.00 0.00 H new ATOM 490 N GLU A 33 -8.642 -7.743 1.647 1.00 0.00 N ATOM 491 CA GLU A 33 -8.404 -8.416 0.339 1.00 0.00 C ATOM 492 C GLU A 33 -7.198 -7.776 -0.351 1.00 0.00 C ATOM 493 O GLU A 33 -7.162 -6.583 -0.578 1.00 0.00 O ATOM 494 CB GLU A 33 -9.641 -8.260 -0.548 1.00 0.00 C ATOM 495 CG GLU A 33 -9.844 -9.535 -1.370 1.00 0.00 C ATOM 496 CD GLU A 33 -10.805 -9.249 -2.525 1.00 0.00 C ATOM 497 OE1 GLU A 33 -10.771 -8.143 -3.039 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.559 -10.142 -2.877 1.00 0.00 O ATOM 0 H GLU A 33 -8.538 -6.728 1.638 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.208 -9.475 0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.520 -8.067 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.521 -7.403 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.888 -9.887 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.244 -10.328 -0.738 1.00 0.00 H new ATOM 505 N LEU A 34 -6.208 -8.560 -0.685 1.00 0.00 N ATOM 506 CA LEU A 34 -5.005 -8.000 -1.359 1.00 0.00 C ATOM 507 C LEU A 34 -5.439 -7.000 -2.432 1.00 0.00 C ATOM 508 O LEU A 34 -6.548 -7.047 -2.926 1.00 0.00 O ATOM 509 CB LEU A 34 -4.212 -9.136 -2.009 1.00 0.00 C ATOM 510 CG LEU A 34 -2.933 -8.576 -2.631 1.00 0.00 C ATOM 511 CD1 LEU A 34 -2.083 -7.915 -1.544 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.139 -9.715 -3.274 1.00 0.00 C ATOM 0 H LEU A 34 -6.182 -9.566 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.379 -7.493 -0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.965 -9.893 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.817 -9.625 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.192 -7.837 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.171 -7.516 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.648 -7.104 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.824 -8.653 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.227 -9.317 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.881 -10.453 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.743 -10.188 -4.048 1.00 0.00 H new ATOM 524 N ILE A 35 -4.574 -6.093 -2.797 1.00 0.00 N ATOM 525 CA ILE A 35 -4.941 -5.091 -3.837 1.00 0.00 C ATOM 526 C ILE A 35 -3.757 -4.872 -4.781 1.00 0.00 C ATOM 527 O ILE A 35 -3.923 -4.711 -5.973 1.00 0.00 O ATOM 528 CB ILE A 35 -5.307 -3.768 -3.163 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.587 -3.951 -2.344 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.535 -2.696 -4.230 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.740 -4.330 -3.276 1.00 0.00 C ATOM 0 H ILE A 35 -3.630 -6.003 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.794 -5.458 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.494 -3.459 -2.506 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.443 -4.727 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.824 -3.031 -1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.796 -1.753 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.624 -2.565 -4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.347 -3.004 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.652 -4.460 -2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.889 -3.539 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.502 -5.261 -3.790 1.00 0.00 H new ATOM 543 N VAL A 36 -2.561 -4.863 -4.258 1.00 0.00 N ATOM 544 CA VAL A 36 -1.371 -4.653 -5.129 1.00 0.00 C ATOM 545 C VAL A 36 -0.101 -5.012 -4.355 1.00 0.00 C ATOM 546 O VAL A 36 0.037 -4.699 -3.189 1.00 0.00 O ATOM 547 CB VAL A 36 -1.307 -3.188 -5.561 1.00 0.00 C ATOM 548 CG1 VAL A 36 -1.221 -2.293 -4.323 1.00 0.00 C ATOM 549 CG2 VAL A 36 -0.070 -2.968 -6.435 1.00 0.00 C ATOM 0 H VAL A 36 -2.357 -4.992 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.451 -5.289 -6.011 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.203 -2.938 -6.128 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.175 -1.249 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.101 -2.449 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.325 -2.543 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.024 -1.924 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.826 -3.219 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.130 -3.605 -7.318 1.00 0.00 H new ATOM 559 N ASP A 37 0.830 -5.665 -4.995 1.00 0.00 N ATOM 560 CA ASP A 37 2.091 -6.042 -4.297 1.00 0.00 C ATOM 561 C ASP A 37 3.185 -5.029 -4.640 1.00 0.00 C ATOM 562 O ASP A 37 3.113 -4.337 -5.636 1.00 0.00 O ATOM 563 CB ASP A 37 2.527 -7.437 -4.750 1.00 0.00 C ATOM 564 CG ASP A 37 1.905 -8.490 -3.831 1.00 0.00 C ATOM 565 OD1 ASP A 37 0.733 -8.359 -3.520 1.00 0.00 O ATOM 566 OD2 ASP A 37 2.612 -9.411 -3.454 1.00 0.00 O ATOM 0 H ASP A 37 0.772 -5.954 -5.972 1.00 0.00 H new ATOM 0 HA ASP A 37 1.924 -6.046 -3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.217 -7.610 -5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.614 -7.515 -4.727 1.00 0.00 H new ATOM 571 N ILE A 38 4.197 -4.934 -3.822 1.00 0.00 N ATOM 572 CA ILE A 38 5.293 -3.964 -4.103 1.00 0.00 C ATOM 573 C ILE A 38 6.634 -4.700 -4.126 1.00 0.00 C ATOM 574 O ILE A 38 6.799 -5.729 -3.502 1.00 0.00 O ATOM 575 CB ILE A 38 5.318 -2.894 -3.010 1.00 0.00 C ATOM 576 CG1 ILE A 38 3.929 -2.264 -2.884 1.00 0.00 C ATOM 577 CG2 ILE A 38 6.336 -1.812 -3.378 1.00 0.00 C ATOM 578 CD1 ILE A 38 3.815 -1.546 -1.537 1.00 0.00 C ATOM 0 H ILE A 38 4.312 -5.486 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 38 5.121 -3.493 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 38 5.600 -3.350 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.762 -1.560 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.161 -3.033 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.354 -1.049 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.326 -2.260 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.054 -1.355 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.826 -1.097 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.964 -2.262 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.574 -0.766 -1.475 1.00 0.00 H new ATOM 590 N GLU A 39 7.594 -4.181 -4.841 1.00 0.00 N ATOM 591 CA GLU A 39 8.923 -4.851 -4.903 1.00 0.00 C ATOM 592 C GLU A 39 9.954 -4.009 -4.148 1.00 0.00 C ATOM 593 O GLU A 39 10.154 -2.847 -4.439 1.00 0.00 O ATOM 594 CB GLU A 39 9.355 -4.995 -6.364 1.00 0.00 C ATOM 595 CG GLU A 39 10.257 -6.221 -6.512 1.00 0.00 C ATOM 596 CD GLU A 39 10.509 -6.494 -7.996 1.00 0.00 C ATOM 597 OE1 GLU A 39 9.540 -6.617 -8.729 1.00 0.00 O ATOM 598 OE2 GLU A 39 11.665 -6.575 -8.376 1.00 0.00 O ATOM 0 H GLU A 39 7.515 -3.322 -5.385 1.00 0.00 H new ATOM 0 HA GLU A 39 8.853 -5.838 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.479 -5.096 -7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.885 -4.099 -6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.203 -6.054 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.789 -7.088 -6.046 1.00 0.00 H new ATOM 605 N THR A 40 10.610 -4.587 -3.179 1.00 0.00 N ATOM 606 CA THR A 40 11.627 -3.819 -2.406 1.00 0.00 C ATOM 607 C THR A 40 13.028 -4.298 -2.790 1.00 0.00 C ATOM 608 O THR A 40 13.220 -4.929 -3.810 1.00 0.00 O ATOM 609 CB THR A 40 11.404 -4.042 -0.908 1.00 0.00 C ATOM 610 OG1 THR A 40 12.002 -5.270 -0.520 1.00 0.00 O ATOM 611 CG2 THR A 40 9.904 -4.086 -0.614 1.00 0.00 C ATOM 0 H THR A 40 10.486 -5.557 -2.889 1.00 0.00 H new ATOM 0 HA THR A 40 11.531 -2.757 -2.634 1.00 0.00 H new ATOM 0 HB THR A 40 11.857 -3.224 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.396 -6.010 -0.732 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.747 -4.245 0.453 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.447 -3.142 -0.912 1.00 0.00 H new ATOM 0 HG23 THR A 40 9.447 -4.902 -1.173 1.00 0.00 H new ATOM 619 N ASP A 41 14.009 -4.000 -1.981 1.00 0.00 N ATOM 620 CA ASP A 41 15.397 -4.435 -2.296 1.00 0.00 C ATOM 621 C ASP A 41 15.381 -5.878 -2.805 1.00 0.00 C ATOM 622 O ASP A 41 15.680 -6.145 -3.952 1.00 0.00 O ATOM 623 CB ASP A 41 16.257 -4.349 -1.034 1.00 0.00 C ATOM 624 CG ASP A 41 17.718 -4.115 -1.425 1.00 0.00 C ATOM 625 OD1 ASP A 41 17.985 -4.023 -2.612 1.00 0.00 O ATOM 626 OD2 ASP A 41 18.544 -4.031 -0.531 1.00 0.00 O ATOM 0 H ASP A 41 13.907 -3.473 -1.114 1.00 0.00 H new ATOM 0 HA ASP A 41 15.813 -3.785 -3.066 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.906 -3.537 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.167 -5.269 -0.457 1.00 0.00 H new ATOM 631 N LYS A 42 15.035 -6.810 -1.960 1.00 0.00 N ATOM 632 CA LYS A 42 15.000 -8.235 -2.396 1.00 0.00 C ATOM 633 C LYS A 42 13.818 -8.943 -1.731 1.00 0.00 C ATOM 634 O LYS A 42 13.831 -10.142 -1.535 1.00 0.00 O ATOM 635 CB LYS A 42 16.303 -8.925 -1.989 1.00 0.00 C ATOM 636 CG LYS A 42 17.386 -8.629 -3.029 1.00 0.00 C ATOM 637 CD LYS A 42 18.706 -8.322 -2.319 1.00 0.00 C ATOM 638 CE LYS A 42 19.431 -9.631 -2.001 1.00 0.00 C ATOM 639 NZ LYS A 42 20.892 -9.371 -1.869 1.00 0.00 N ATOM 0 H LYS A 42 14.775 -6.647 -0.987 1.00 0.00 H new ATOM 0 HA LYS A 42 14.888 -8.281 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.621 -8.574 -1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.147 -10.001 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.509 -9.483 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.089 -7.783 -3.648 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.332 -7.691 -2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 42 18.517 -7.766 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.042 -10.059 -1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.251 -10.360 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 21.385 -10.261 -1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 21.257 -8.981 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.055 -8.689 -1.101 1.00 0.00 H new ATOM 653 N VAL A 43 12.796 -8.210 -1.381 1.00 0.00 N ATOM 654 CA VAL A 43 11.615 -8.842 -0.729 1.00 0.00 C ATOM 655 C VAL A 43 10.331 -8.274 -1.337 1.00 0.00 C ATOM 656 O VAL A 43 10.208 -7.085 -1.551 1.00 0.00 O ATOM 657 CB VAL A 43 11.642 -8.545 0.772 1.00 0.00 C ATOM 658 CG1 VAL A 43 10.492 -9.282 1.460 1.00 0.00 C ATOM 659 CG2 VAL A 43 12.973 -9.019 1.360 1.00 0.00 C ATOM 0 H VAL A 43 12.728 -7.202 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 43 11.646 -9.920 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 43 11.533 -7.472 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.512 -9.070 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.543 -8.947 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.600 -10.355 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.994 -8.808 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 43 13.080 -10.092 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.794 -8.495 0.871 1.00 0.00 H new ATOM 669 N VAL A 44 9.374 -9.116 -1.618 1.00 0.00 N ATOM 670 CA VAL A 44 8.100 -8.623 -2.213 1.00 0.00 C ATOM 671 C VAL A 44 7.069 -8.407 -1.103 1.00 0.00 C ATOM 672 O VAL A 44 6.700 -9.325 -0.398 1.00 0.00 O ATOM 673 CB VAL A 44 7.568 -9.656 -3.207 1.00 0.00 C ATOM 674 CG1 VAL A 44 6.156 -9.265 -3.645 1.00 0.00 C ATOM 675 CG2 VAL A 44 8.486 -9.702 -4.432 1.00 0.00 C ATOM 0 H VAL A 44 9.419 -10.123 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 44 8.281 -7.681 -2.730 1.00 0.00 H new ATOM 0 HB VAL A 44 7.542 -10.637 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.778 -10.002 -4.354 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.502 -9.230 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.181 -8.284 -4.120 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.109 -10.438 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.511 -8.720 -4.905 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.493 -9.980 -4.122 1.00 0.00 H new ATOM 685 N MET A 45 6.602 -7.199 -0.941 1.00 0.00 N ATOM 686 CA MET A 45 5.596 -6.926 0.123 1.00 0.00 C ATOM 687 C MET A 45 4.188 -7.028 -0.467 1.00 0.00 C ATOM 688 O MET A 45 4.014 -7.292 -1.641 1.00 0.00 O ATOM 689 CB MET A 45 5.813 -5.518 0.682 1.00 0.00 C ATOM 690 CG MET A 45 7.126 -5.477 1.465 1.00 0.00 C ATOM 691 SD MET A 45 6.911 -4.464 2.950 1.00 0.00 S ATOM 692 CE MET A 45 8.646 -3.992 3.156 1.00 0.00 C ATOM 0 H MET A 45 6.874 -6.390 -1.500 1.00 0.00 H new ATOM 0 HA MET A 45 5.708 -7.657 0.924 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.839 -4.792 -0.131 1.00 0.00 H new ATOM 0 HB3 MET A 45 4.982 -5.240 1.330 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.429 -6.487 1.741 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.920 -5.065 0.843 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.792 -3.568 4.150 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.279 -4.872 3.040 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.913 -3.251 2.403 1.00 0.00 H new ATOM 702 N GLU A 46 3.181 -6.822 0.336 1.00 0.00 N ATOM 703 CA GLU A 46 1.786 -6.907 -0.180 1.00 0.00 C ATOM 704 C GLU A 46 0.994 -5.683 0.284 1.00 0.00 C ATOM 705 O GLU A 46 1.241 -5.136 1.340 1.00 0.00 O ATOM 706 CB GLU A 46 1.120 -8.177 0.355 1.00 0.00 C ATOM 707 CG GLU A 46 1.622 -8.459 1.773 1.00 0.00 C ATOM 708 CD GLU A 46 0.498 -9.087 2.597 1.00 0.00 C ATOM 709 OE1 GLU A 46 -0.079 -10.057 2.133 1.00 0.00 O ATOM 710 OE2 GLU A 46 0.233 -8.589 3.679 1.00 0.00 O ATOM 0 H GLU A 46 3.264 -6.598 1.328 1.00 0.00 H new ATOM 0 HA GLU A 46 1.804 -6.937 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.036 -8.058 0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.346 -9.021 -0.297 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.481 -9.129 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.958 -7.534 2.242 1.00 0.00 H new ATOM 717 N VAL A 47 0.044 -5.248 -0.498 1.00 0.00 N ATOM 718 CA VAL A 47 -0.762 -4.059 -0.101 1.00 0.00 C ATOM 719 C VAL A 47 -2.242 -4.443 -0.044 1.00 0.00 C ATOM 720 O VAL A 47 -2.878 -4.651 -1.058 1.00 0.00 O ATOM 721 CB VAL A 47 -0.564 -2.943 -1.128 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.217 -1.657 -0.617 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.933 -2.704 -1.337 1.00 0.00 C ATOM 0 H VAL A 47 -0.209 -5.664 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.438 -3.711 0.880 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.023 -3.233 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.076 -0.862 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.283 -1.826 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.758 -1.366 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.076 -1.909 -2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.391 -2.413 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.400 -3.619 -1.700 1.00 0.00 H new ATOM 733 N LEU A 48 -2.794 -4.538 1.134 1.00 0.00 N ATOM 734 CA LEU A 48 -4.232 -4.908 1.255 1.00 0.00 C ATOM 735 C LEU A 48 -5.071 -3.642 1.443 1.00 0.00 C ATOM 736 O LEU A 48 -4.599 -2.642 1.946 1.00 0.00 O ATOM 737 CB LEU A 48 -4.422 -5.829 2.462 1.00 0.00 C ATOM 738 CG LEU A 48 -4.979 -7.175 1.995 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.839 -8.190 1.889 1.00 0.00 C ATOM 740 CD2 LEU A 48 -6.013 -7.676 3.005 1.00 0.00 C ATOM 0 H LEU A 48 -2.312 -4.375 2.018 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.551 -5.424 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.471 -5.975 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.103 -5.371 3.179 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.451 -7.054 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.236 -9.149 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.100 -7.834 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.368 -8.311 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.411 -8.635 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.541 -7.797 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.826 -6.954 3.083 1.00 0.00 H new ATOM 752 N ALA A 49 -6.312 -3.677 1.042 1.00 0.00 N ATOM 753 CA ALA A 49 -7.180 -2.475 1.197 1.00 0.00 C ATOM 754 C ALA A 49 -7.624 -2.353 2.656 1.00 0.00 C ATOM 755 O ALA A 49 -7.873 -3.337 3.324 1.00 0.00 O ATOM 756 CB ALA A 49 -8.410 -2.615 0.299 1.00 0.00 C ATOM 0 H ALA A 49 -6.763 -4.486 0.614 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.622 -1.584 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.045 -1.736 0.412 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.094 -2.703 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.969 -3.506 0.584 1.00 0.00 H new ATOM 762 N GLU A 50 -7.726 -1.152 3.157 1.00 0.00 N ATOM 763 CA GLU A 50 -8.154 -0.969 4.572 1.00 0.00 C ATOM 764 C GLU A 50 -9.658 -0.691 4.618 1.00 0.00 C ATOM 765 O GLU A 50 -10.185 -0.239 5.616 1.00 0.00 O ATOM 766 CB GLU A 50 -7.398 0.212 5.185 1.00 0.00 C ATOM 767 CG GLU A 50 -6.539 -0.281 6.351 1.00 0.00 C ATOM 768 CD GLU A 50 -7.413 -0.445 7.596 1.00 0.00 C ATOM 769 OE1 GLU A 50 -8.623 -0.478 7.446 1.00 0.00 O ATOM 770 OE2 GLU A 50 -6.857 -0.534 8.678 1.00 0.00 O ATOM 0 H GLU A 50 -7.531 -0.290 2.647 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.934 -1.874 5.138 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.769 0.686 4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.103 0.967 5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.071 -1.231 6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.735 0.428 6.549 1.00 0.00 H new ATOM 777 N ALA A 51 -10.353 -0.957 3.547 1.00 0.00 N ATOM 778 CA ALA A 51 -11.822 -0.707 3.531 1.00 0.00 C ATOM 779 C ALA A 51 -12.337 -0.785 2.092 1.00 0.00 C ATOM 780 O ALA A 51 -11.639 -0.456 1.154 1.00 0.00 O ATOM 781 CB ALA A 51 -12.110 0.683 4.101 1.00 0.00 C ATOM 0 H ALA A 51 -9.968 -1.337 2.682 1.00 0.00 H new ATOM 0 HA ALA A 51 -12.325 -1.460 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.185 0.866 4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -11.744 0.739 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.607 1.436 3.494 1.00 0.00 H new ATOM 787 N ASP A 52 -13.555 -1.219 1.911 1.00 0.00 N ATOM 788 CA ASP A 52 -14.113 -1.317 0.533 1.00 0.00 C ATOM 789 C ASP A 52 -14.344 0.091 -0.022 1.00 0.00 C ATOM 790 O ASP A 52 -14.238 1.076 0.682 1.00 0.00 O ATOM 791 CB ASP A 52 -15.432 -2.111 0.577 1.00 0.00 C ATOM 792 CG ASP A 52 -16.394 -1.650 -0.525 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.995 -0.601 -0.358 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.513 -2.354 -1.514 1.00 0.00 O ATOM 0 H ASP A 52 -14.187 -1.510 2.657 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.413 -1.837 -0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.223 -3.174 0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.904 -1.984 1.551 1.00 0.00 H new ATOM 799 N GLY A 53 -14.658 0.185 -1.281 1.00 0.00 N ATOM 800 CA GLY A 53 -14.898 1.522 -1.896 1.00 0.00 C ATOM 801 C GLY A 53 -14.687 1.434 -3.408 1.00 0.00 C ATOM 802 O GLY A 53 -14.963 0.424 -4.025 1.00 0.00 O ATOM 0 H GLY A 53 -14.760 -0.608 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.912 1.857 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.220 2.259 -1.466 1.00 0.00 H new ATOM 806 N VAL A 54 -14.201 2.484 -4.011 1.00 0.00 N ATOM 807 CA VAL A 54 -13.973 2.460 -5.483 1.00 0.00 C ATOM 808 C VAL A 54 -12.605 3.068 -5.798 1.00 0.00 C ATOM 809 O VAL A 54 -12.309 4.184 -5.420 1.00 0.00 O ATOM 810 CB VAL A 54 -15.065 3.272 -6.182 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.679 3.497 -7.645 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.388 2.505 -6.117 1.00 0.00 C ATOM 0 H VAL A 54 -13.952 3.358 -3.548 1.00 0.00 H new ATOM 0 HA VAL A 54 -14.003 1.430 -5.838 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.176 4.235 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.458 4.076 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.736 4.042 -7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.568 2.534 -8.144 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.168 3.082 -6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.275 1.542 -6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.665 2.344 -5.075 1.00 0.00 H new ATOM 822 N ILE A 55 -11.768 2.342 -6.487 1.00 0.00 N ATOM 823 CA ILE A 55 -10.420 2.878 -6.826 1.00 0.00 C ATOM 824 C ILE A 55 -10.561 4.000 -7.856 1.00 0.00 C ATOM 825 O ILE A 55 -11.551 4.095 -8.554 1.00 0.00 O ATOM 826 CB ILE A 55 -9.562 1.755 -7.410 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.613 0.540 -6.478 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.115 2.235 -7.548 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.777 0.815 -5.226 1.00 0.00 C ATOM 0 H ILE A 55 -11.960 1.401 -6.830 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.946 3.270 -5.926 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.945 1.477 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.645 0.327 -6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.234 -0.342 -6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.504 1.434 -7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.080 3.100 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.729 2.514 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.815 -0.051 -4.565 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.743 1.006 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.176 1.686 -4.706 1.00 0.00 H new ATOM 841 N ALA A 56 -9.578 4.853 -7.957 1.00 0.00 N ATOM 842 CA ALA A 56 -9.657 5.968 -8.942 1.00 0.00 C ATOM 843 C ALA A 56 -8.947 5.558 -10.234 1.00 0.00 C ATOM 844 O ALA A 56 -9.557 5.438 -11.278 1.00 0.00 O ATOM 845 CB ALA A 56 -8.981 7.211 -8.361 1.00 0.00 C ATOM 0 H ALA A 56 -8.724 4.826 -7.400 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.702 6.190 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.039 8.027 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.486 7.503 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.935 6.990 -8.146 1.00 0.00 H new ATOM 851 N GLU A 57 -7.661 5.342 -10.172 1.00 0.00 N ATOM 852 CA GLU A 57 -6.914 4.941 -11.397 1.00 0.00 C ATOM 853 C GLU A 57 -5.439 4.732 -11.049 1.00 0.00 C ATOM 854 O GLU A 57 -4.890 5.405 -10.200 1.00 0.00 O ATOM 855 CB GLU A 57 -7.038 6.040 -12.454 1.00 0.00 C ATOM 856 CG GLU A 57 -6.475 7.349 -11.899 1.00 0.00 C ATOM 857 CD GLU A 57 -7.147 8.532 -12.598 1.00 0.00 C ATOM 858 OE1 GLU A 57 -8.150 8.313 -13.257 1.00 0.00 O ATOM 859 OE2 GLU A 57 -6.648 9.637 -12.462 1.00 0.00 O ATOM 0 H GLU A 57 -7.096 5.426 -9.327 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.330 4.013 -11.788 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.498 5.754 -13.357 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.083 6.172 -12.736 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.646 7.404 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.397 7.387 -12.053 1.00 0.00 H new ATOM 866 N ILE A 58 -4.792 3.803 -11.700 1.00 0.00 N ATOM 867 CA ILE A 58 -3.353 3.552 -11.406 1.00 0.00 C ATOM 868 C ILE A 58 -2.488 4.254 -12.455 1.00 0.00 C ATOM 869 O ILE A 58 -2.675 4.083 -13.643 1.00 0.00 O ATOM 870 CB ILE A 58 -3.080 2.047 -11.444 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.025 1.335 -10.473 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.631 1.780 -11.033 1.00 0.00 C ATOM 873 CD1 ILE A 58 -3.961 2.018 -9.106 1.00 0.00 C ATOM 0 H ILE A 58 -5.198 3.208 -12.422 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.111 3.940 -10.417 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.245 1.673 -12.454 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.045 1.361 -10.857 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.745 0.286 -10.381 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.437 0.708 -11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.958 2.288 -11.723 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.465 2.153 -10.023 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.634 1.511 -8.414 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.942 1.969 -8.722 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.262 3.061 -9.206 1.00 0.00 H new ATOM 885 N VAL A 59 -1.543 5.045 -12.025 1.00 0.00 N ATOM 886 CA VAL A 59 -0.668 5.758 -12.998 1.00 0.00 C ATOM 887 C VAL A 59 0.554 4.894 -13.314 1.00 0.00 C ATOM 888 O VAL A 59 1.107 4.955 -14.395 1.00 0.00 O ATOM 889 CB VAL A 59 -0.211 7.087 -12.394 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.450 7.940 -13.478 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.422 7.832 -11.828 1.00 0.00 C ATOM 0 H VAL A 59 -1.339 5.228 -11.042 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.225 5.948 -13.916 1.00 0.00 H new ATOM 0 HB VAL A 59 0.505 6.896 -11.595 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.776 8.887 -13.048 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.312 7.410 -13.883 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.266 8.132 -14.277 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.098 8.779 -11.397 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.138 8.023 -12.627 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.894 7.225 -11.056 1.00 0.00 H new ATOM 901 N LYS A 60 0.981 4.089 -12.380 1.00 0.00 N ATOM 902 CA LYS A 60 2.168 3.222 -12.629 1.00 0.00 C ATOM 903 C LYS A 60 1.708 1.878 -13.197 1.00 0.00 C ATOM 904 O LYS A 60 0.639 1.393 -12.882 1.00 0.00 O ATOM 905 CB LYS A 60 2.916 2.992 -11.315 1.00 0.00 C ATOM 906 CG LYS A 60 4.414 3.206 -11.536 1.00 0.00 C ATOM 907 CD LYS A 60 4.758 4.680 -11.312 1.00 0.00 C ATOM 908 CE LYS A 60 4.895 5.383 -12.663 1.00 0.00 C ATOM 909 NZ LYS A 60 4.087 6.636 -12.655 1.00 0.00 N ATOM 0 H LYS A 60 0.560 3.994 -11.456 1.00 0.00 H new ATOM 0 HA LYS A 60 2.831 3.710 -13.343 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.549 3.677 -10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.732 1.981 -10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.986 2.580 -10.851 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.689 2.907 -12.547 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.980 5.160 -10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.688 4.766 -10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.942 5.614 -12.860 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.557 4.725 -13.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.166 7.106 -13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.090 6.405 -12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.440 7.272 -11.912 1.00 0.00 H new ATOM 923 N ASN A 61 2.506 1.272 -14.033 1.00 0.00 N ATOM 924 CA ASN A 61 2.113 -0.040 -14.619 1.00 0.00 C ATOM 925 C ASN A 61 3.006 -1.143 -14.047 1.00 0.00 C ATOM 926 O ASN A 61 4.109 -0.893 -13.601 1.00 0.00 O ATOM 927 CB ASN A 61 2.277 0.012 -16.140 1.00 0.00 C ATOM 928 CG ASN A 61 1.101 0.772 -16.755 1.00 0.00 C ATOM 929 OD1 ASN A 61 0.264 0.189 -17.414 1.00 0.00 O ATOM 930 ND2 ASN A 61 1.002 2.060 -16.566 1.00 0.00 N ATOM 0 H ASN A 61 3.413 1.629 -14.335 1.00 0.00 H new ATOM 0 HA ASN A 61 1.073 -0.251 -14.372 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.216 0.502 -16.399 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.323 -0.998 -16.546 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.222 2.577 -16.972 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.705 2.550 -16.012 1.00 0.00 H new ATOM 937 N GLU A 62 2.540 -2.361 -14.057 1.00 0.00 N ATOM 938 CA GLU A 62 3.362 -3.479 -13.513 1.00 0.00 C ATOM 939 C GLU A 62 4.665 -3.589 -14.307 1.00 0.00 C ATOM 940 O GLU A 62 4.680 -3.459 -15.515 1.00 0.00 O ATOM 941 CB GLU A 62 2.583 -4.791 -13.630 1.00 0.00 C ATOM 942 CG GLU A 62 1.098 -4.530 -13.375 1.00 0.00 C ATOM 943 CD GLU A 62 0.322 -4.675 -14.686 1.00 0.00 C ATOM 944 OE1 GLU A 62 0.959 -4.754 -15.723 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.897 -4.705 -14.629 1.00 0.00 O ATOM 0 H GLU A 62 1.625 -2.631 -14.418 1.00 0.00 H new ATOM 0 HA GLU A 62 3.590 -3.284 -12.465 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.722 -5.221 -14.622 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.964 -5.517 -12.912 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.716 -5.233 -12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.959 -3.529 -12.966 1.00 0.00 H new ATOM 952 N GLY A 63 5.760 -3.828 -13.639 1.00 0.00 N ATOM 953 CA GLY A 63 7.061 -3.948 -14.357 1.00 0.00 C ATOM 954 C GLY A 63 7.727 -2.574 -14.449 1.00 0.00 C ATOM 955 O GLY A 63 8.758 -2.415 -15.072 1.00 0.00 O ATOM 0 H GLY A 63 5.810 -3.945 -12.627 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.714 -4.645 -13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.900 -4.353 -15.356 1.00 0.00 H new ATOM 959 N ASP A 64 7.149 -1.579 -13.834 1.00 0.00 N ATOM 960 CA ASP A 64 7.754 -0.219 -13.890 1.00 0.00 C ATOM 961 C ASP A 64 8.404 0.103 -12.542 1.00 0.00 C ATOM 962 O ASP A 64 8.244 -0.610 -11.572 1.00 0.00 O ATOM 963 CB ASP A 64 6.658 0.809 -14.227 1.00 0.00 C ATOM 964 CG ASP A 64 6.969 2.175 -13.603 1.00 0.00 C ATOM 965 OD1 ASP A 64 6.691 2.344 -12.427 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.479 3.027 -14.313 1.00 0.00 O ATOM 0 H ASP A 64 6.285 -1.649 -13.296 1.00 0.00 H new ATOM 0 HA ASP A 64 8.521 -0.180 -14.664 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.572 0.911 -15.309 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.695 0.451 -13.863 1.00 0.00 H new ATOM 971 N THR A 65 9.138 1.177 -12.484 1.00 0.00 N ATOM 972 CA THR A 65 9.807 1.560 -11.210 1.00 0.00 C ATOM 973 C THR A 65 9.024 2.691 -10.540 1.00 0.00 C ATOM 974 O THR A 65 8.334 3.451 -11.191 1.00 0.00 O ATOM 975 CB THR A 65 11.234 2.029 -11.508 1.00 0.00 C ATOM 976 OG1 THR A 65 11.975 2.087 -10.297 1.00 0.00 O ATOM 977 CG2 THR A 65 11.197 3.416 -12.153 1.00 0.00 C ATOM 0 H THR A 65 9.305 1.809 -13.267 1.00 0.00 H new ATOM 0 HA THR A 65 9.839 0.700 -10.542 1.00 0.00 H new ATOM 0 HB THR A 65 11.710 1.327 -12.193 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.916 1.224 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.214 3.747 -12.364 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.631 3.370 -13.083 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.720 4.121 -11.472 1.00 0.00 H new ATOM 985 N VAL A 66 9.124 2.810 -9.244 1.00 0.00 N ATOM 986 CA VAL A 66 8.385 3.893 -8.536 1.00 0.00 C ATOM 987 C VAL A 66 9.341 4.636 -7.602 1.00 0.00 C ATOM 988 O VAL A 66 10.103 4.035 -6.871 1.00 0.00 O ATOM 989 CB VAL A 66 7.245 3.283 -7.719 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.221 2.650 -8.664 1.00 0.00 C ATOM 991 CG2 VAL A 66 7.807 2.210 -6.784 1.00 0.00 C ATOM 0 H VAL A 66 9.685 2.204 -8.645 1.00 0.00 H new ATOM 0 HA VAL A 66 7.975 4.591 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 66 6.762 4.063 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.409 2.215 -8.082 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.821 3.413 -9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.703 1.870 -9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.996 1.774 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.290 1.430 -7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.537 2.660 -6.111 1.00 0.00 H new ATOM 1001 N LEU A 67 9.308 5.941 -7.619 1.00 0.00 N ATOM 1002 CA LEU A 67 10.216 6.721 -6.731 1.00 0.00 C ATOM 1003 C LEU A 67 9.501 7.028 -5.414 1.00 0.00 C ATOM 1004 O LEU A 67 8.313 6.816 -5.277 1.00 0.00 O ATOM 1005 CB LEU A 67 10.600 8.032 -7.421 1.00 0.00 C ATOM 1006 CG LEU A 67 12.110 8.058 -7.664 1.00 0.00 C ATOM 1007 CD1 LEU A 67 12.384 8.170 -9.165 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.721 9.262 -6.944 1.00 0.00 C ATOM 0 H LEU A 67 8.692 6.500 -8.209 1.00 0.00 H new ATOM 0 HA LEU A 67 11.115 6.139 -6.529 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.067 8.127 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.306 8.880 -6.803 1.00 0.00 H new ATOM 0 HG LEU A 67 12.555 7.140 -7.281 1.00 0.00 H new ATOM 0 HD11 LEU A 67 13.460 8.189 -9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.948 7.313 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.939 9.088 -9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.797 9.281 -7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.275 10.180 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.526 9.184 -5.874 1.00 0.00 H new ATOM 1020 N SER A 68 10.216 7.527 -4.443 1.00 0.00 N ATOM 1021 CA SER A 68 9.577 7.847 -3.135 1.00 0.00 C ATOM 1022 C SER A 68 8.462 8.872 -3.350 1.00 0.00 C ATOM 1023 O SER A 68 8.574 9.763 -4.168 1.00 0.00 O ATOM 1024 CB SER A 68 10.625 8.425 -2.184 1.00 0.00 C ATOM 1025 OG SER A 68 10.559 7.739 -0.940 1.00 0.00 O ATOM 0 H SER A 68 11.215 7.727 -4.499 1.00 0.00 H new ATOM 0 HA SER A 68 9.157 6.939 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.621 8.323 -2.616 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.449 9.490 -2.035 1.00 0.00 H new ATOM 0 HG SER A 68 10.831 8.344 -0.218 1.00 0.00 H new ATOM 1031 N GLY A 69 7.385 8.753 -2.622 1.00 0.00 N ATOM 1032 CA GLY A 69 6.264 9.721 -2.786 1.00 0.00 C ATOM 1033 C GLY A 69 5.620 9.530 -4.161 1.00 0.00 C ATOM 1034 O GLY A 69 4.833 10.341 -4.607 1.00 0.00 O ATOM 0 H GLY A 69 7.233 8.028 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.522 9.571 -2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.633 10.742 -2.684 1.00 0.00 H new ATOM 1038 N GLU A 70 5.949 8.463 -4.836 1.00 0.00 N ATOM 1039 CA GLU A 70 5.355 8.221 -6.182 1.00 0.00 C ATOM 1040 C GLU A 70 3.873 7.871 -6.030 1.00 0.00 C ATOM 1041 O GLU A 70 3.516 6.908 -5.381 1.00 0.00 O ATOM 1042 CB GLU A 70 6.086 7.060 -6.860 1.00 0.00 C ATOM 1043 CG GLU A 70 5.333 6.652 -8.127 1.00 0.00 C ATOM 1044 CD GLU A 70 5.384 7.796 -9.142 1.00 0.00 C ATOM 1045 OE1 GLU A 70 4.808 8.835 -8.863 1.00 0.00 O ATOM 1046 OE2 GLU A 70 5.998 7.614 -10.180 1.00 0.00 O ATOM 0 H GLU A 70 6.603 7.749 -4.515 1.00 0.00 H new ATOM 0 HA GLU A 70 5.456 9.120 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.105 7.354 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.157 6.213 -6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.778 5.753 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.298 6.412 -7.886 1.00 0.00 H new ATOM 1053 N LEU A 71 3.008 8.646 -6.625 1.00 0.00 N ATOM 1054 CA LEU A 71 1.550 8.357 -6.514 1.00 0.00 C ATOM 1055 C LEU A 71 1.184 7.212 -7.460 1.00 0.00 C ATOM 1056 O LEU A 71 1.224 7.354 -8.666 1.00 0.00 O ATOM 1057 CB LEU A 71 0.753 9.607 -6.893 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.743 9.321 -6.750 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.479 10.614 -6.396 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.285 8.773 -8.072 1.00 0.00 C ATOM 0 H LEU A 71 3.247 9.466 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 71 1.312 8.071 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.038 10.441 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.982 9.900 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.898 8.587 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.545 10.410 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.093 11.006 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.324 11.349 -7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.351 8.569 -7.971 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.129 9.508 -8.862 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.761 7.851 -8.326 1.00 0.00 H new ATOM 1072 N LEU A 72 0.828 6.077 -6.923 1.00 0.00 N ATOM 1073 CA LEU A 72 0.460 4.925 -7.793 1.00 0.00 C ATOM 1074 C LEU A 72 -1.034 4.989 -8.119 1.00 0.00 C ATOM 1075 O LEU A 72 -1.494 4.412 -9.084 1.00 0.00 O ATOM 1076 CB LEU A 72 0.766 3.615 -7.063 1.00 0.00 C ATOM 1077 CG LEU A 72 2.168 3.685 -6.455 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.183 2.936 -5.121 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.171 3.039 -7.412 1.00 0.00 C ATOM 0 H LEU A 72 0.776 5.898 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 72 1.037 4.969 -8.717 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.027 3.441 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.700 2.776 -7.756 1.00 0.00 H new ATOM 0 HG LEU A 72 2.441 4.727 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.182 2.985 -4.687 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.468 3.395 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.910 1.894 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.170 3.088 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.898 1.997 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.161 3.571 -8.363 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.795 5.687 -7.321 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.258 5.787 -7.585 1.00 0.00 C ATOM 1093 C GLY A 73 -3.941 6.496 -6.414 1.00 0.00 C ATOM 1094 O GLY A 73 -3.299 6.929 -5.478 1.00 0.00 O ATOM 0 H GLY A 73 -1.467 6.192 -6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.435 6.337 -8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.683 4.792 -7.719 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.240 6.618 -6.457 1.00 0.00 N ATOM 1099 CA LYS A 74 -5.962 7.298 -5.346 1.00 0.00 C ATOM 1100 C LYS A 74 -7.256 6.542 -5.039 1.00 0.00 C ATOM 1101 O LYS A 74 -7.813 5.875 -5.889 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.296 8.734 -5.758 1.00 0.00 C ATOM 1103 CG LYS A 74 -5.090 9.356 -6.465 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.185 9.088 -7.969 1.00 0.00 C ATOM 1105 CE LYS A 74 -5.637 10.361 -8.687 1.00 0.00 C ATOM 1106 NZ LYS A 74 -6.030 10.029 -10.086 1.00 0.00 N ATOM 0 H LYS A 74 -5.832 6.276 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.330 7.312 -4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.162 8.742 -6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.560 9.323 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.059 10.429 -6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.166 8.936 -6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.217 8.765 -8.353 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.890 8.279 -8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.478 10.810 -8.159 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.832 11.096 -8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.075 10.901 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.327 9.385 -10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -6.963 9.569 -10.085 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.739 6.640 -3.831 1.00 0.00 N ATOM 1121 CA LEU A 75 -8.997 5.926 -3.471 1.00 0.00 C ATOM 1122 C LEU A 75 -10.186 6.874 -3.638 1.00 0.00 C ATOM 1123 O LEU A 75 -10.045 8.080 -3.578 1.00 0.00 O ATOM 1124 CB LEU A 75 -8.919 5.456 -2.017 1.00 0.00 C ATOM 1125 CG LEU A 75 -9.999 4.404 -1.762 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -9.342 3.087 -1.348 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.924 4.886 -0.642 1.00 0.00 C ATOM 0 H LEU A 75 -7.317 7.183 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.125 5.063 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.934 5.038 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.054 6.302 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.578 4.250 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.112 2.337 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.682 2.743 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.763 3.240 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.695 4.137 -0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.344 5.040 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.393 5.825 -0.936 1.00 0.00 H new ATOM 1139 N THR A 76 -11.358 6.340 -3.847 1.00 0.00 N ATOM 1140 CA THR A 76 -12.555 7.211 -4.017 1.00 0.00 C ATOM 1141 C THR A 76 -13.420 7.140 -2.757 1.00 0.00 C ATOM 1142 O THR A 76 -13.185 6.339 -1.875 1.00 0.00 O ATOM 1143 CB THR A 76 -13.368 6.733 -5.222 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.494 6.501 -6.318 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.396 7.799 -5.603 1.00 0.00 C ATOM 0 H THR A 76 -11.538 5.338 -3.907 1.00 0.00 H new ATOM 0 HA THR A 76 -12.235 8.240 -4.181 1.00 0.00 H new ATOM 0 HB THR A 76 -13.886 5.808 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.253 5.552 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.974 7.457 -6.461 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.066 7.976 -4.762 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.882 8.726 -5.858 1.00 0.00 H new