USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 : P 0 SER OG : rot 180:sc= 0.0931 USER MOD Single : P 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 4 GLN : amide:sc= 0.793 K(o=0.79,f=0) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD Single : P 7 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : P 9 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : P -1 GLY N :NH3+ -109:sc= 0.0366 (180deg=0) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 11 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : P 12 GLN : amide:sc= 1.43 K(o=1.4,f=-5.8!) USER MOD Single : P 14 GLN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : P 19 THR OG1 : rot 82:sc= 1.23 USER MOD Single : P 21 GLN : amide:sc= 1.2 K(o=1.2,f=-0.26) USER MOD Single : P 23 ASN : amide:sc= -0.0238 K(o=-0.024,f=-4.6!) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 28 MET CE :methyl 170:sc= 0 (180deg=-0.0224) USER MOD Single : P 29 SER OG : rot 180:sc= 0 USER MOD Single : P 30 THR OG1 : rot 180:sc= 0 USER MOD Single : P 38 THR OG1 : rot -75:sc= 1.19 USER MOD Single : P 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 41 THR OG1 : rot 180:sc= 0.272 USER MOD Single : P 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 51 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.8!) USER MOD Single : P 55 LYS NZ :NH3+ -177:sc= 0.964 (180deg=0.955) USER MOD Single : P 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY P -1 -22.866 -2.627 15.217 1.00 0.00 N ATOM 2 CA GLY P -1 -22.714 -3.068 16.621 1.00 0.00 C ATOM 3 C GLY P -1 -21.276 -3.457 16.936 1.00 0.00 C ATOM 4 O GLY P -1 -20.538 -3.887 16.047 1.00 0.00 O ATOM 0 H1 GLY P -1 -23.033 -1.601 15.192 1.00 0.00 H new ATOM 0 H2 GLY P -1 -21.999 -2.850 14.687 1.00 0.00 H new ATOM 0 H3 GLY P -1 -23.673 -3.120 14.784 1.00 0.00 H new ATOM 0 HA2 GLY P -1 -23.029 -2.267 17.290 1.00 0.00 H new ATOM 0 HA3 GLY P -1 -23.370 -3.918 16.809 1.00 0.00 H new ATOM 10 N SER P 0 -20.879 -3.332 18.210 1.00 0.00 N ATOM 11 CA SER P 0 -19.503 -3.526 18.715 1.00 0.00 C ATOM 12 C SER P 0 -18.449 -2.591 18.079 1.00 0.00 C ATOM 13 O SER P 0 -18.766 -1.717 17.266 1.00 0.00 O ATOM 14 CB SER P 0 -19.117 -5.014 18.638 1.00 0.00 C ATOM 15 OG SER P 0 -18.040 -5.301 19.519 1.00 0.00 O ATOM 0 H SER P 0 -21.532 -3.082 18.952 1.00 0.00 H new ATOM 0 HA SER P 0 -19.506 -3.225 19.763 1.00 0.00 H new ATOM 0 HB2 SER P 0 -19.978 -5.632 18.895 1.00 0.00 H new ATOM 0 HB3 SER P 0 -18.835 -5.269 17.616 1.00 0.00 H new ATOM 0 HG SER P 0 -17.811 -6.252 19.457 1.00 0.00 H new ATOM 21 N GLN P 1 -17.185 -2.729 18.492 1.00 0.00 N ATOM 22 CA GLN P 1 -16.055 -1.914 18.028 1.00 0.00 C ATOM 23 C GLN P 1 -15.575 -2.336 16.625 1.00 0.00 C ATOM 24 O GLN P 1 -15.500 -3.529 16.312 1.00 0.00 O ATOM 25 CB GLN P 1 -14.900 -1.980 19.043 1.00 0.00 C ATOM 26 CG GLN P 1 -15.274 -1.389 20.413 1.00 0.00 C ATOM 27 CD GLN P 1 -14.100 -1.433 21.389 1.00 0.00 C ATOM 28 OE1 GLN P 1 -13.964 -2.337 22.205 1.00 0.00 O ATOM 29 NE2 GLN P 1 -13.197 -0.474 21.342 1.00 0.00 N ATOM 0 H GLN P 1 -16.911 -3.431 19.179 1.00 0.00 H new ATOM 0 HA GLN P 1 -16.401 -0.883 17.951 1.00 0.00 H new ATOM 0 HB2 GLN P 1 -14.595 -3.018 19.172 1.00 0.00 H new ATOM 0 HB3 GLN P 1 -14.040 -1.442 18.643 1.00 0.00 H new ATOM 0 HG2 GLN P 1 -15.603 -0.358 20.286 1.00 0.00 H new ATOM 0 HG3 GLN P 1 -16.115 -1.943 20.831 1.00 0.00 H new ATOM 0 HE21 GLN P 1 -13.295 0.286 20.669 1.00 0.00 H new ATOM 0 HE22 GLN P 1 -12.400 -0.492 21.979 1.00 0.00 H new ATOM 38 N ARG P 2 -15.209 -1.353 15.787 1.00 0.00 N ATOM 39 CA ARG P 2 -14.742 -1.553 14.398 1.00 0.00 C ATOM 40 C ARG P 2 -13.218 -1.718 14.274 1.00 0.00 C ATOM 41 O ARG P 2 -12.747 -2.270 13.277 1.00 0.00 O ATOM 42 CB ARG P 2 -15.311 -0.403 13.537 1.00 0.00 C ATOM 43 CG ARG P 2 -15.153 -0.580 12.015 1.00 0.00 C ATOM 44 CD ARG P 2 -13.930 0.149 11.439 1.00 0.00 C ATOM 45 NE ARG P 2 -13.802 -0.087 9.987 1.00 0.00 N ATOM 46 CZ ARG P 2 -12.839 0.354 9.197 1.00 0.00 C ATOM 47 NH1 ARG P 2 -11.860 1.092 9.640 1.00 0.00 N ATOM 48 NH2 ARG P 2 -12.842 0.060 7.928 1.00 0.00 N ATOM 0 H ARG P 2 -15.229 -0.370 16.060 1.00 0.00 H new ATOM 0 HA ARG P 2 -15.121 -2.505 14.026 1.00 0.00 H new ATOM 0 HB2 ARG P 2 -16.371 -0.291 13.765 1.00 0.00 H new ATOM 0 HB3 ARG P 2 -14.821 0.525 13.831 1.00 0.00 H new ATOM 0 HG2 ARG P 2 -15.074 -1.643 11.787 1.00 0.00 H new ATOM 0 HG3 ARG P 2 -16.052 -0.214 11.519 1.00 0.00 H new ATOM 0 HD2 ARG P 2 -14.018 1.219 11.630 1.00 0.00 H new ATOM 0 HD3 ARG P 2 -13.028 -0.192 11.946 1.00 0.00 H new ATOM 0 HE ARG P 2 -14.532 -0.648 9.549 1.00 0.00 H new ATOM 0 HH11 ARG P 2 -11.820 1.347 10.627 1.00 0.00 H new ATOM 0 HH12 ARG P 2 -11.134 1.414 9.000 1.00 0.00 H new ATOM 0 HH21 ARG P 2 -13.590 -0.514 7.539 1.00 0.00 H new ATOM 0 HH22 ARG P 2 -12.096 0.403 7.323 1.00 0.00 H new ATOM 62 N ARG P 3 -12.448 -1.261 15.270 1.00 0.00 N ATOM 63 CA ARG P 3 -10.970 -1.263 15.282 1.00 0.00 C ATOM 64 C ARG P 3 -10.396 -2.685 15.188 1.00 0.00 C ATOM 65 O ARG P 3 -10.788 -3.572 15.947 1.00 0.00 O ATOM 66 CB ARG P 3 -10.473 -0.514 16.533 1.00 0.00 C ATOM 67 CG ARG P 3 -8.951 -0.295 16.531 1.00 0.00 C ATOM 68 CD ARG P 3 -8.517 0.526 17.752 1.00 0.00 C ATOM 69 NE ARG P 3 -7.062 0.782 17.747 1.00 0.00 N ATOM 70 CZ ARG P 3 -6.107 0.017 18.248 1.00 0.00 C ATOM 71 NH1 ARG P 3 -6.357 -1.123 18.829 1.00 0.00 N ATOM 72 NH2 ARG P 3 -4.862 0.390 18.174 1.00 0.00 N ATOM 0 H ARG P 3 -12.846 -0.865 16.122 1.00 0.00 H new ATOM 0 HA ARG P 3 -10.608 -0.741 14.396 1.00 0.00 H new ATOM 0 HB2 ARG P 3 -10.974 0.452 16.596 1.00 0.00 H new ATOM 0 HB3 ARG P 3 -10.753 -1.077 17.423 1.00 0.00 H new ATOM 0 HG2 ARG P 3 -8.441 -1.258 16.535 1.00 0.00 H new ATOM 0 HG3 ARG P 3 -8.654 0.220 15.617 1.00 0.00 H new ATOM 0 HD2 ARG P 3 -9.054 1.475 17.763 1.00 0.00 H new ATOM 0 HD3 ARG P 3 -8.790 -0.005 18.664 1.00 0.00 H new ATOM 0 HE ARG P 3 -6.759 1.650 17.306 1.00 0.00 H new ATOM 0 HH11 ARG P 3 -7.318 -1.454 18.910 1.00 0.00 H new ATOM 0 HH12 ARG P 3 -5.591 -1.684 19.203 1.00 0.00 H new ATOM 0 HH21 ARG P 3 -4.620 1.275 17.728 1.00 0.00 H new ATOM 0 HH22 ARG P 3 -4.128 -0.203 18.562 1.00 0.00 H new ATOM 86 N GLN P 4 -9.466 -2.881 14.253 1.00 0.00 N ATOM 87 CA GLN P 4 -8.871 -4.171 13.863 1.00 0.00 C ATOM 88 C GLN P 4 -7.364 -4.026 13.565 1.00 0.00 C ATOM 89 O GLN P 4 -6.860 -2.912 13.378 1.00 0.00 O ATOM 90 CB GLN P 4 -9.619 -4.703 12.621 1.00 0.00 C ATOM 91 CG GLN P 4 -11.000 -5.296 12.950 1.00 0.00 C ATOM 92 CD GLN P 4 -11.859 -5.452 11.698 1.00 0.00 C ATOM 93 OE1 GLN P 4 -11.837 -6.465 11.009 1.00 0.00 O ATOM 94 NE2 GLN P 4 -12.636 -4.447 11.347 1.00 0.00 N ATOM 0 H GLN P 4 -9.083 -2.104 13.714 1.00 0.00 H new ATOM 0 HA GLN P 4 -8.971 -4.876 14.689 1.00 0.00 H new ATOM 0 HB2 GLN P 4 -9.741 -3.891 11.904 1.00 0.00 H new ATOM 0 HB3 GLN P 4 -9.009 -5.466 12.138 1.00 0.00 H new ATOM 0 HG2 GLN P 4 -10.875 -6.267 13.429 1.00 0.00 H new ATOM 0 HG3 GLN P 4 -11.512 -4.652 13.665 1.00 0.00 H new ATOM 0 HE21 GLN P 4 -12.661 -3.600 11.914 1.00 0.00 H new ATOM 0 HE22 GLN P 4 -13.212 -4.517 10.508 1.00 0.00 H new ATOM 103 N ARG P 5 -6.650 -5.158 13.488 1.00 0.00 N ATOM 104 CA ARG P 5 -5.224 -5.260 13.113 1.00 0.00 C ATOM 105 C ARG P 5 -5.014 -6.211 11.929 1.00 0.00 C ATOM 106 O ARG P 5 -5.749 -7.189 11.780 1.00 0.00 O ATOM 107 CB ARG P 5 -4.365 -5.631 14.340 1.00 0.00 C ATOM 108 CG ARG P 5 -4.716 -6.992 14.972 1.00 0.00 C ATOM 109 CD ARG P 5 -3.874 -7.286 16.223 1.00 0.00 C ATOM 110 NE ARG P 5 -2.455 -7.550 15.899 1.00 0.00 N ATOM 111 CZ ARG P 5 -1.460 -7.669 16.761 1.00 0.00 C ATOM 112 NH1 ARG P 5 -1.636 -7.543 18.047 1.00 0.00 N ATOM 113 NH2 ARG P 5 -0.252 -7.922 16.345 1.00 0.00 N ATOM 0 H ARG P 5 -7.063 -6.068 13.693 1.00 0.00 H new ATOM 0 HA ARG P 5 -4.889 -4.281 12.771 1.00 0.00 H new ATOM 0 HB2 ARG P 5 -3.316 -5.641 14.045 1.00 0.00 H new ATOM 0 HB3 ARG P 5 -4.477 -4.853 15.095 1.00 0.00 H new ATOM 0 HG2 ARG P 5 -5.773 -7.006 15.236 1.00 0.00 H new ATOM 0 HG3 ARG P 5 -4.561 -7.782 14.238 1.00 0.00 H new ATOM 0 HD2 ARG P 5 -3.936 -6.439 16.907 1.00 0.00 H new ATOM 0 HD3 ARG P 5 -4.291 -8.148 16.744 1.00 0.00 H new ATOM 0 HE ARG P 5 -2.221 -7.650 14.911 1.00 0.00 H new ATOM 0 HH11 ARG P 5 -2.566 -7.346 18.418 1.00 0.00 H new ATOM 0 HH12 ARG P 5 -0.844 -7.641 18.682 1.00 0.00 H new ATOM 0 HH21 ARG P 5 -0.068 -8.030 15.347 1.00 0.00 H new ATOM 0 HH22 ARG P 5 0.510 -8.012 17.017 1.00 0.00 H new ATOM 127 N THR P 6 -4.014 -5.925 11.095 1.00 0.00 N ATOM 128 CA THR P 6 -3.734 -6.631 9.828 1.00 0.00 C ATOM 129 C THR P 6 -2.233 -6.819 9.577 1.00 0.00 C ATOM 130 O THR P 6 -1.396 -6.067 10.085 1.00 0.00 O ATOM 131 CB THR P 6 -4.352 -5.889 8.623 1.00 0.00 C ATOM 132 OG1 THR P 6 -3.947 -4.536 8.610 1.00 0.00 O ATOM 133 CG2 THR P 6 -5.881 -5.903 8.639 1.00 0.00 C ATOM 0 H THR P 6 -3.351 -5.173 11.282 1.00 0.00 H new ATOM 0 HA THR P 6 -4.192 -7.615 9.930 1.00 0.00 H new ATOM 0 HB THR P 6 -3.998 -6.419 7.739 1.00 0.00 H new ATOM 0 HG1 THR P 6 -4.347 -4.082 7.839 1.00 0.00 H new ATOM 0 HG21 THR P 6 -6.259 -5.367 7.769 1.00 0.00 H new ATOM 0 HG22 THR P 6 -6.236 -6.933 8.613 1.00 0.00 H new ATOM 0 HG23 THR P 6 -6.240 -5.419 9.547 1.00 0.00 H new ATOM 141 N HIS P 7 -1.890 -7.822 8.764 1.00 0.00 N ATOM 142 CA HIS P 7 -0.543 -8.062 8.225 1.00 0.00 C ATOM 143 C HIS P 7 -0.616 -8.386 6.721 1.00 0.00 C ATOM 144 O HIS P 7 -1.698 -8.659 6.192 1.00 0.00 O ATOM 145 CB HIS P 7 0.165 -9.163 9.030 1.00 0.00 C ATOM 146 CG HIS P 7 -0.336 -10.555 8.735 1.00 0.00 C ATOM 147 ND1 HIS P 7 0.200 -11.409 7.768 1.00 0.00 N ATOM 148 CD2 HIS P 7 -1.399 -11.172 9.329 1.00 0.00 C ATOM 149 CE1 HIS P 7 -0.555 -12.519 7.796 1.00 0.00 C ATOM 150 NE2 HIS P 7 -1.520 -12.406 8.727 1.00 0.00 N ATOM 0 H HIS P 7 -2.567 -8.517 8.450 1.00 0.00 H new ATOM 0 HA HIS P 7 0.054 -7.156 8.327 1.00 0.00 H new ATOM 0 HB2 HIS P 7 1.234 -9.121 8.822 1.00 0.00 H new ATOM 0 HB3 HIS P 7 0.039 -8.960 10.093 1.00 0.00 H new ATOM 0 HD2 HIS P 7 -2.022 -10.772 10.115 1.00 0.00 H new ATOM 0 HE1 HIS P 7 -0.409 -13.380 7.161 1.00 0.00 H new ATOM 0 HE2 HIS P 7 -2.221 -13.113 8.949 1.00 0.00 H new ATOM 158 N PHE P 8 0.521 -8.334 6.024 1.00 0.00 N ATOM 159 CA PHE P 8 0.574 -8.381 4.558 1.00 0.00 C ATOM 160 C PHE P 8 0.285 -9.783 3.986 1.00 0.00 C ATOM 161 O PHE P 8 1.035 -10.734 4.231 1.00 0.00 O ATOM 162 CB PHE P 8 1.931 -7.849 4.067 1.00 0.00 C ATOM 163 CG PHE P 8 2.460 -6.628 4.800 1.00 0.00 C ATOM 164 CD1 PHE P 8 1.841 -5.375 4.632 1.00 0.00 C ATOM 165 CD2 PHE P 8 3.557 -6.752 5.675 1.00 0.00 C ATOM 166 CE1 PHE P 8 2.309 -4.255 5.342 1.00 0.00 C ATOM 167 CE2 PHE P 8 4.028 -5.630 6.383 1.00 0.00 C ATOM 168 CZ PHE P 8 3.401 -4.384 6.220 1.00 0.00 C ATOM 0 H PHE P 8 1.439 -8.258 6.463 1.00 0.00 H new ATOM 0 HA PHE P 8 -0.223 -7.738 4.185 1.00 0.00 H new ATOM 0 HB2 PHE P 8 2.667 -8.649 4.151 1.00 0.00 H new ATOM 0 HB3 PHE P 8 1.844 -7.606 3.008 1.00 0.00 H new ATOM 0 HD1 PHE P 8 1.005 -5.274 3.956 1.00 0.00 H new ATOM 0 HD2 PHE P 8 4.038 -7.710 5.803 1.00 0.00 H new ATOM 0 HE1 PHE P 8 1.830 -3.296 5.213 1.00 0.00 H new ATOM 0 HE2 PHE P 8 4.871 -5.727 7.051 1.00 0.00 H new ATOM 0 HZ PHE P 8 3.757 -3.525 6.769 1.00 0.00 H new ATOM 178 N THR P 9 -0.769 -9.910 3.177 1.00 0.00 N ATOM 179 CA THR P 9 -1.073 -11.120 2.388 1.00 0.00 C ATOM 180 C THR P 9 -0.210 -11.211 1.125 1.00 0.00 C ATOM 181 O THR P 9 0.370 -10.219 0.677 1.00 0.00 O ATOM 182 CB THR P 9 -2.556 -11.190 1.988 1.00 0.00 C ATOM 183 OG1 THR P 9 -2.864 -10.171 1.061 1.00 0.00 O ATOM 184 CG2 THR P 9 -3.509 -11.069 3.176 1.00 0.00 C ATOM 0 H THR P 9 -1.452 -9.164 3.045 1.00 0.00 H new ATOM 0 HA THR P 9 -0.842 -11.964 3.038 1.00 0.00 H new ATOM 0 HB THR P 9 -2.699 -12.175 1.545 1.00 0.00 H new ATOM 0 HG1 THR P 9 -3.811 -10.229 0.814 1.00 0.00 H new ATOM 0 HG21 THR P 9 -4.539 -11.126 2.824 1.00 0.00 H new ATOM 0 HG22 THR P 9 -3.320 -11.881 3.878 1.00 0.00 H new ATOM 0 HG23 THR P 9 -3.349 -10.113 3.675 1.00 0.00 H new ATOM 192 N SER P 10 -0.160 -12.387 0.490 1.00 0.00 N ATOM 193 CA SER P 10 0.601 -12.609 -0.753 1.00 0.00 C ATOM 194 C SER P 10 0.172 -11.693 -1.910 1.00 0.00 C ATOM 195 O SER P 10 1.005 -11.334 -2.744 1.00 0.00 O ATOM 196 CB SER P 10 0.466 -14.073 -1.194 1.00 0.00 C ATOM 197 OG SER P 10 0.837 -14.948 -0.138 1.00 0.00 O ATOM 0 H SER P 10 -0.648 -13.219 0.823 1.00 0.00 H new ATOM 0 HA SER P 10 1.638 -12.366 -0.522 1.00 0.00 H new ATOM 0 HB2 SER P 10 -0.562 -14.274 -1.497 1.00 0.00 H new ATOM 0 HB3 SER P 10 1.096 -14.256 -2.064 1.00 0.00 H new ATOM 0 HG SER P 10 0.744 -15.877 -0.435 1.00 0.00 H new ATOM 203 N GLN P 11 -1.099 -11.272 -1.961 1.00 0.00 N ATOM 204 CA GLN P 11 -1.589 -10.309 -2.959 1.00 0.00 C ATOM 205 C GLN P 11 -1.314 -8.846 -2.569 1.00 0.00 C ATOM 206 O GLN P 11 -0.959 -8.046 -3.436 1.00 0.00 O ATOM 207 CB GLN P 11 -3.062 -10.583 -3.312 1.00 0.00 C ATOM 208 CG GLN P 11 -4.055 -10.428 -2.147 1.00 0.00 C ATOM 209 CD GLN P 11 -5.512 -10.695 -2.546 1.00 0.00 C ATOM 210 OE1 GLN P 11 -5.849 -11.033 -3.676 1.00 0.00 O ATOM 211 NE2 GLN P 11 -6.445 -10.556 -1.628 1.00 0.00 N ATOM 0 H GLN P 11 -1.818 -11.589 -1.311 1.00 0.00 H new ATOM 0 HA GLN P 11 -1.011 -10.462 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN P 11 -3.359 -9.907 -4.114 1.00 0.00 H new ATOM 0 HB3 GLN P 11 -3.142 -11.597 -3.704 1.00 0.00 H new ATOM 0 HG2 GLN P 11 -3.774 -11.113 -1.347 1.00 0.00 H new ATOM 0 HG3 GLN P 11 -3.976 -9.418 -1.744 1.00 0.00 H new ATOM 0 HE21 GLN P 11 -6.191 -10.276 -0.681 1.00 0.00 H new ATOM 0 HE22 GLN P 11 -7.422 -10.728 -1.864 1.00 0.00 H new ATOM 220 N GLN P 12 -1.378 -8.495 -1.278 1.00 0.00 N ATOM 221 CA GLN P 12 -0.987 -7.163 -0.789 1.00 0.00 C ATOM 222 C GLN P 12 0.511 -6.904 -0.998 1.00 0.00 C ATOM 223 O GLN P 12 0.885 -5.826 -1.456 1.00 0.00 O ATOM 224 CB GLN P 12 -1.336 -7.027 0.699 1.00 0.00 C ATOM 225 CG GLN P 12 -2.845 -6.874 0.949 1.00 0.00 C ATOM 226 CD GLN P 12 -3.208 -6.974 2.431 1.00 0.00 C ATOM 227 OE1 GLN P 12 -2.507 -7.563 3.238 1.00 0.00 O ATOM 228 NE2 GLN P 12 -4.315 -6.410 2.854 1.00 0.00 N ATOM 0 H GLN P 12 -1.701 -9.124 -0.543 1.00 0.00 H new ATOM 0 HA GLN P 12 -1.541 -6.421 -1.364 1.00 0.00 H new ATOM 0 HB2 GLN P 12 -0.972 -7.904 1.234 1.00 0.00 H new ATOM 0 HB3 GLN P 12 -0.815 -6.163 1.111 1.00 0.00 H new ATOM 0 HG2 GLN P 12 -3.178 -5.911 0.561 1.00 0.00 H new ATOM 0 HG3 GLN P 12 -3.381 -7.644 0.394 1.00 0.00 H new ATOM 0 HE21 GLN P 12 -4.917 -5.912 2.198 1.00 0.00 H new ATOM 0 HE22 GLN P 12 -4.574 -6.469 3.839 1.00 0.00 H new ATOM 237 N LEU P 13 1.367 -7.901 -0.736 1.00 0.00 N ATOM 238 CA LEU P 13 2.813 -7.827 -0.976 1.00 0.00 C ATOM 239 C LEU P 13 3.142 -7.577 -2.456 1.00 0.00 C ATOM 240 O LEU P 13 4.015 -6.765 -2.755 1.00 0.00 O ATOM 241 CB LEU P 13 3.481 -9.132 -0.498 1.00 0.00 C ATOM 242 CG LEU P 13 3.574 -9.297 1.030 1.00 0.00 C ATOM 243 CD1 LEU P 13 4.101 -10.691 1.369 1.00 0.00 C ATOM 244 CD2 LEU P 13 4.512 -8.265 1.660 1.00 0.00 C ATOM 0 H LEU P 13 1.069 -8.795 -0.345 1.00 0.00 H new ATOM 0 HA LEU P 13 3.203 -6.980 -0.411 1.00 0.00 H new ATOM 0 HB2 LEU P 13 2.926 -9.977 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU P 13 4.487 -9.181 -0.915 1.00 0.00 H new ATOM 0 HG LEU P 13 2.571 -9.151 1.431 1.00 0.00 H new ATOM 0 HD11 LEU P 13 4.165 -10.803 2.451 1.00 0.00 H new ATOM 0 HD12 LEU P 13 3.424 -11.444 0.966 1.00 0.00 H new ATOM 0 HD13 LEU P 13 5.091 -10.822 0.932 1.00 0.00 H new ATOM 0 HD21 LEU P 13 4.548 -8.417 2.739 1.00 0.00 H new ATOM 0 HD22 LEU P 13 5.513 -8.380 1.243 1.00 0.00 H new ATOM 0 HD23 LEU P 13 4.144 -7.261 1.447 1.00 0.00 H new ATOM 256 N GLN P 14 2.430 -8.226 -3.383 1.00 0.00 N ATOM 257 CA GLN P 14 2.639 -8.048 -4.826 1.00 0.00 C ATOM 258 C GLN P 14 2.085 -6.719 -5.351 1.00 0.00 C ATOM 259 O GLN P 14 2.723 -6.086 -6.193 1.00 0.00 O ATOM 260 CB GLN P 14 2.044 -9.241 -5.585 1.00 0.00 C ATOM 261 CG GLN P 14 2.957 -10.461 -5.423 1.00 0.00 C ATOM 262 CD GLN P 14 2.358 -11.708 -6.066 1.00 0.00 C ATOM 263 OE1 GLN P 14 2.654 -12.069 -7.200 1.00 0.00 O ATOM 264 NE2 GLN P 14 1.484 -12.406 -5.374 1.00 0.00 N ATOM 0 H GLN P 14 1.691 -8.891 -3.155 1.00 0.00 H new ATOM 0 HA GLN P 14 3.714 -8.010 -5.001 1.00 0.00 H new ATOM 0 HB2 GLN P 14 1.048 -9.467 -5.204 1.00 0.00 H new ATOM 0 HB3 GLN P 14 1.934 -8.995 -6.641 1.00 0.00 H new ATOM 0 HG2 GLN P 14 3.927 -10.251 -5.873 1.00 0.00 H new ATOM 0 HG3 GLN P 14 3.131 -10.647 -4.363 1.00 0.00 H new ATOM 0 HE21 GLN P 14 1.231 -12.114 -4.430 1.00 0.00 H new ATOM 0 HE22 GLN P 14 1.059 -13.239 -5.781 1.00 0.00 H new ATOM 273 N GLU P 15 0.954 -6.242 -4.823 1.00 0.00 N ATOM 274 CA GLU P 15 0.444 -4.899 -5.124 1.00 0.00 C ATOM 275 C GLU P 15 1.394 -3.809 -4.590 1.00 0.00 C ATOM 276 O GLU P 15 1.605 -2.792 -5.252 1.00 0.00 O ATOM 277 CB GLU P 15 -0.971 -4.754 -4.539 1.00 0.00 C ATOM 278 CG GLU P 15 -1.740 -3.535 -5.069 1.00 0.00 C ATOM 279 CD GLU P 15 -2.135 -3.701 -6.550 1.00 0.00 C ATOM 280 OE1 GLU P 15 -3.180 -4.336 -6.834 1.00 0.00 O ATOM 281 OE2 GLU P 15 -1.413 -3.196 -7.443 1.00 0.00 O ATOM 0 H GLU P 15 0.368 -6.772 -4.178 1.00 0.00 H new ATOM 0 HA GLU P 15 0.393 -4.767 -6.205 1.00 0.00 H new ATOM 0 HB2 GLU P 15 -1.540 -5.656 -4.763 1.00 0.00 H new ATOM 0 HB3 GLU P 15 -0.900 -4.683 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU P 15 -2.637 -3.384 -4.469 1.00 0.00 H new ATOM 0 HG3 GLU P 15 -1.126 -2.642 -4.955 1.00 0.00 H new ATOM 288 N LEU P 16 2.035 -4.038 -3.438 1.00 0.00 N ATOM 289 CA LEU P 16 3.040 -3.129 -2.876 1.00 0.00 C ATOM 290 C LEU P 16 4.377 -3.193 -3.629 1.00 0.00 C ATOM 291 O LEU P 16 5.003 -2.155 -3.827 1.00 0.00 O ATOM 292 CB LEU P 16 3.196 -3.388 -1.368 1.00 0.00 C ATOM 293 CG LEU P 16 2.088 -2.713 -0.538 1.00 0.00 C ATOM 294 CD1 LEU P 16 1.982 -3.353 0.847 1.00 0.00 C ATOM 295 CD2 LEU P 16 2.365 -1.218 -0.339 1.00 0.00 C ATOM 0 H LEU P 16 1.869 -4.866 -2.865 1.00 0.00 H new ATOM 0 HA LEU P 16 2.686 -2.106 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU P 16 3.181 -4.462 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU P 16 4.168 -3.021 -1.038 1.00 0.00 H new ATOM 0 HG LEU P 16 1.159 -2.845 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU P 16 1.193 -2.861 1.416 1.00 0.00 H new ATOM 0 HD12 LEU P 16 1.746 -4.412 0.741 1.00 0.00 H new ATOM 0 HD13 LEU P 16 2.931 -3.243 1.372 1.00 0.00 H new ATOM 0 HD21 LEU P 16 1.563 -0.775 0.251 1.00 0.00 H new ATOM 0 HD22 LEU P 16 3.313 -1.090 0.184 1.00 0.00 H new ATOM 0 HD23 LEU P 16 2.416 -0.725 -1.310 1.00 0.00 H new ATOM 307 N GLU P 17 4.789 -4.355 -4.146 1.00 0.00 N ATOM 308 CA GLU P 17 5.936 -4.455 -5.061 1.00 0.00 C ATOM 309 C GLU P 17 5.669 -3.722 -6.385 1.00 0.00 C ATOM 310 O GLU P 17 6.511 -2.946 -6.833 1.00 0.00 O ATOM 311 CB GLU P 17 6.316 -5.927 -5.320 1.00 0.00 C ATOM 312 CG GLU P 17 7.710 -6.275 -4.784 1.00 0.00 C ATOM 313 CD GLU P 17 8.823 -5.485 -5.495 1.00 0.00 C ATOM 314 OE1 GLU P 17 9.080 -5.730 -6.698 1.00 0.00 O ATOM 315 OE2 GLU P 17 9.458 -4.624 -4.845 1.00 0.00 O ATOM 0 H GLU P 17 4.341 -5.249 -3.945 1.00 0.00 H new ATOM 0 HA GLU P 17 6.780 -3.966 -4.575 1.00 0.00 H new ATOM 0 HB2 GLU P 17 5.577 -6.578 -4.852 1.00 0.00 H new ATOM 0 HB3 GLU P 17 6.282 -6.125 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU P 17 7.747 -6.069 -3.714 1.00 0.00 H new ATOM 0 HG3 GLU P 17 7.889 -7.343 -4.909 1.00 0.00 H new ATOM 322 N ALA P 18 4.483 -3.884 -6.981 1.00 0.00 N ATOM 323 CA ALA P 18 4.075 -3.119 -8.164 1.00 0.00 C ATOM 324 C ALA P 18 4.017 -1.602 -7.883 1.00 0.00 C ATOM 325 O ALA P 18 4.456 -0.796 -8.707 1.00 0.00 O ATOM 326 CB ALA P 18 2.727 -3.661 -8.653 1.00 0.00 C ATOM 0 H ALA P 18 3.780 -4.548 -6.657 1.00 0.00 H new ATOM 0 HA ALA P 18 4.822 -3.245 -8.947 1.00 0.00 H new ATOM 0 HB1 ALA P 18 2.408 -3.103 -9.533 1.00 0.00 H new ATOM 0 HB2 ALA P 18 2.830 -4.715 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA P 18 1.983 -3.551 -7.864 1.00 0.00 H new ATOM 332 N THR P 19 3.555 -1.208 -6.690 1.00 0.00 N ATOM 333 CA THR P 19 3.577 0.185 -6.208 1.00 0.00 C ATOM 334 C THR P 19 5.014 0.707 -6.084 1.00 0.00 C ATOM 335 O THR P 19 5.303 1.792 -6.581 1.00 0.00 O ATOM 336 CB THR P 19 2.835 0.307 -4.863 1.00 0.00 C ATOM 337 OG1 THR P 19 1.481 -0.062 -5.016 1.00 0.00 O ATOM 338 CG2 THR P 19 2.813 1.719 -4.284 1.00 0.00 C ATOM 0 H THR P 19 3.147 -1.858 -6.018 1.00 0.00 H new ATOM 0 HA THR P 19 3.060 0.802 -6.943 1.00 0.00 H new ATOM 0 HB THR P 19 3.386 -0.348 -4.189 1.00 0.00 H new ATOM 0 HG1 THR P 19 1.402 -1.038 -4.983 1.00 0.00 H new ATOM 0 HG21 THR P 19 2.272 1.716 -3.338 1.00 0.00 H new ATOM 0 HG22 THR P 19 3.835 2.059 -4.116 1.00 0.00 H new ATOM 0 HG23 THR P 19 2.317 2.391 -4.984 1.00 0.00 H new ATOM 346 N PHE P 20 5.938 -0.071 -5.510 1.00 0.00 N ATOM 347 CA PHE P 20 7.353 0.292 -5.357 1.00 0.00 C ATOM 348 C PHE P 20 8.081 0.407 -6.708 1.00 0.00 C ATOM 349 O PHE P 20 8.843 1.350 -6.923 1.00 0.00 O ATOM 350 CB PHE P 20 8.028 -0.741 -4.443 1.00 0.00 C ATOM 351 CG PHE P 20 9.444 -0.394 -4.022 1.00 0.00 C ATOM 352 CD1 PHE P 20 9.663 0.494 -2.952 1.00 0.00 C ATOM 353 CD2 PHE P 20 10.547 -0.969 -4.685 1.00 0.00 C ATOM 354 CE1 PHE P 20 10.972 0.809 -2.547 1.00 0.00 C ATOM 355 CE2 PHE P 20 11.857 -0.655 -4.278 1.00 0.00 C ATOM 356 CZ PHE P 20 12.070 0.231 -3.209 1.00 0.00 C ATOM 0 H PHE P 20 5.719 -0.992 -5.130 1.00 0.00 H new ATOM 0 HA PHE P 20 7.412 1.282 -4.904 1.00 0.00 H new ATOM 0 HB2 PHE P 20 7.419 -0.865 -3.548 1.00 0.00 H new ATOM 0 HB3 PHE P 20 8.042 -1.703 -4.955 1.00 0.00 H new ATOM 0 HD1 PHE P 20 8.821 0.936 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE P 20 10.387 -1.651 -5.506 1.00 0.00 H new ATOM 0 HE1 PHE P 20 11.134 1.494 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE P 20 12.700 -1.096 -4.789 1.00 0.00 H new ATOM 0 HZ PHE P 20 13.076 0.468 -2.896 1.00 0.00 H new ATOM 366 N GLN P 21 7.801 -0.498 -7.653 1.00 0.00 N ATOM 367 CA GLN P 21 8.323 -0.441 -9.025 1.00 0.00 C ATOM 368 C GLN P 21 7.831 0.805 -9.789 1.00 0.00 C ATOM 369 O GLN P 21 8.574 1.354 -10.607 1.00 0.00 O ATOM 370 CB GLN P 21 7.929 -1.717 -9.785 1.00 0.00 C ATOM 371 CG GLN P 21 8.695 -2.969 -9.317 1.00 0.00 C ATOM 372 CD GLN P 21 8.199 -4.246 -10.001 1.00 0.00 C ATOM 373 OE1 GLN P 21 7.730 -4.252 -11.134 1.00 0.00 O ATOM 374 NE2 GLN P 21 8.293 -5.391 -9.360 1.00 0.00 N ATOM 0 H GLN P 21 7.197 -1.302 -7.485 1.00 0.00 H new ATOM 0 HA GLN P 21 9.409 -0.370 -8.960 1.00 0.00 H new ATOM 0 HB2 GLN P 21 6.859 -1.888 -9.663 1.00 0.00 H new ATOM 0 HB3 GLN P 21 8.109 -1.567 -10.850 1.00 0.00 H new ATOM 0 HG2 GLN P 21 9.758 -2.839 -9.522 1.00 0.00 H new ATOM 0 HG3 GLN P 21 8.589 -3.074 -8.237 1.00 0.00 H new ATOM 0 HE21 GLN P 21 8.679 -5.417 -8.416 1.00 0.00 H new ATOM 0 HE22 GLN P 21 7.980 -6.253 -9.807 1.00 0.00 H new ATOM 383 N ARG P 22 6.609 1.285 -9.504 1.00 0.00 N ATOM 384 CA ARG P 22 6.054 2.538 -10.050 1.00 0.00 C ATOM 385 C ARG P 22 6.651 3.780 -9.371 1.00 0.00 C ATOM 386 O ARG P 22 7.044 4.722 -10.060 1.00 0.00 O ATOM 387 CB ARG P 22 4.518 2.486 -9.942 1.00 0.00 C ATOM 388 CG ARG P 22 3.824 3.667 -10.643 1.00 0.00 C ATOM 389 CD ARG P 22 2.295 3.611 -10.493 1.00 0.00 C ATOM 390 NE ARG P 22 1.701 2.421 -11.138 1.00 0.00 N ATOM 391 CZ ARG P 22 1.374 2.275 -12.411 1.00 0.00 C ATOM 392 NH1 ARG P 22 1.557 3.218 -13.293 1.00 0.00 N ATOM 393 NH2 ARG P 22 0.849 1.159 -12.829 1.00 0.00 N ATOM 0 H ARG P 22 5.965 0.804 -8.875 1.00 0.00 H new ATOM 0 HA ARG P 22 6.330 2.627 -11.101 1.00 0.00 H new ATOM 0 HB2 ARG P 22 4.160 1.552 -10.376 1.00 0.00 H new ATOM 0 HB3 ARG P 22 4.234 2.478 -8.890 1.00 0.00 H new ATOM 0 HG2 ARG P 22 4.195 4.604 -10.227 1.00 0.00 H new ATOM 0 HG3 ARG P 22 4.084 3.664 -11.701 1.00 0.00 H new ATOM 0 HD2 ARG P 22 2.038 3.611 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG P 22 1.858 4.510 -10.927 1.00 0.00 H new ATOM 0 HE ARG P 22 1.523 1.620 -10.532 1.00 0.00 H new ATOM 0 HH11 ARG P 22 1.966 4.108 -13.010 1.00 0.00 H new ATOM 0 HH12 ARG P 22 1.291 3.065 -14.266 1.00 0.00 H new ATOM 0 HH21 ARG P 22 0.689 0.394 -12.174 1.00 0.00 H new ATOM 0 HH22 ARG P 22 0.598 1.050 -13.812 1.00 0.00 H new ATOM 407 N ASN P 23 6.728 3.782 -8.038 1.00 0.00 N ATOM 408 CA ASN P 23 7.256 4.869 -7.212 1.00 0.00 C ATOM 409 C ASN P 23 7.809 4.327 -5.874 1.00 0.00 C ATOM 410 O ASN P 23 7.058 3.819 -5.038 1.00 0.00 O ATOM 411 CB ASN P 23 6.120 5.891 -7.000 1.00 0.00 C ATOM 412 CG ASN P 23 6.528 7.134 -6.226 1.00 0.00 C ATOM 413 OD1 ASN P 23 7.600 7.235 -5.645 1.00 0.00 O ATOM 414 ND2 ASN P 23 5.670 8.128 -6.202 1.00 0.00 N ATOM 0 H ASN P 23 6.409 2.990 -7.480 1.00 0.00 H new ATOM 0 HA ASN P 23 8.094 5.357 -7.709 1.00 0.00 H new ATOM 0 HB2 ASN P 23 5.735 6.194 -7.973 1.00 0.00 H new ATOM 0 HB3 ASN P 23 5.302 5.402 -6.472 1.00 0.00 H new ATOM 0 HD21 ASN P 23 5.897 8.986 -5.699 1.00 0.00 H new ATOM 0 HD22 ASN P 23 4.777 8.042 -6.687 1.00 0.00 H new ATOM 421 N ARG P 24 9.123 4.468 -5.650 1.00 0.00 N ATOM 422 CA ARG P 24 9.822 3.932 -4.463 1.00 0.00 C ATOM 423 C ARG P 24 9.604 4.743 -3.178 1.00 0.00 C ATOM 424 O ARG P 24 9.857 4.225 -2.090 1.00 0.00 O ATOM 425 CB ARG P 24 11.325 3.781 -4.765 1.00 0.00 C ATOM 426 CG ARG P 24 11.594 2.733 -5.854 1.00 0.00 C ATOM 427 CD ARG P 24 13.095 2.483 -6.027 1.00 0.00 C ATOM 428 NE ARG P 24 13.345 1.452 -7.051 1.00 0.00 N ATOM 429 CZ ARG P 24 14.521 0.974 -7.419 1.00 0.00 C ATOM 430 NH1 ARG P 24 15.636 1.385 -6.884 1.00 0.00 N ATOM 431 NH2 ARG P 24 14.600 0.061 -8.345 1.00 0.00 N ATOM 0 H ARG P 24 9.742 4.962 -6.293 1.00 0.00 H new ATOM 0 HA ARG P 24 9.378 2.957 -4.264 1.00 0.00 H new ATOM 0 HB2 ARG P 24 11.729 4.743 -5.081 1.00 0.00 H new ATOM 0 HB3 ARG P 24 11.851 3.498 -3.853 1.00 0.00 H new ATOM 0 HG2 ARG P 24 11.095 1.799 -5.594 1.00 0.00 H new ATOM 0 HG3 ARG P 24 11.168 3.070 -6.799 1.00 0.00 H new ATOM 0 HD2 ARG P 24 13.591 3.411 -6.311 1.00 0.00 H new ATOM 0 HD3 ARG P 24 13.527 2.169 -5.077 1.00 0.00 H new ATOM 0 HE ARG P 24 12.527 1.068 -7.524 1.00 0.00 H new ATOM 0 HH11 ARG P 24 15.619 2.099 -6.156 1.00 0.00 H new ATOM 0 HH12 ARG P 24 16.525 0.993 -7.194 1.00 0.00 H new ATOM 0 HH21 ARG P 24 13.751 -0.289 -8.790 1.00 0.00 H new ATOM 0 HH22 ARG P 24 15.510 -0.304 -8.625 1.00 0.00 H new ATOM 445 N TYR P 25 9.147 5.992 -3.286 1.00 0.00 N ATOM 446 CA TYR P 25 8.900 6.895 -2.152 1.00 0.00 C ATOM 447 C TYR P 25 7.728 7.866 -2.441 1.00 0.00 C ATOM 448 O TYR P 25 7.948 9.055 -2.686 1.00 0.00 O ATOM 449 CB TYR P 25 10.216 7.600 -1.744 1.00 0.00 C ATOM 450 CG TYR P 25 11.098 8.128 -2.871 1.00 0.00 C ATOM 451 CD1 TYR P 25 12.077 7.289 -3.445 1.00 0.00 C ATOM 452 CD2 TYR P 25 10.972 9.458 -3.324 1.00 0.00 C ATOM 453 CE1 TYR P 25 12.898 7.762 -4.486 1.00 0.00 C ATOM 454 CE2 TYR P 25 11.794 9.936 -4.364 1.00 0.00 C ATOM 455 CZ TYR P 25 12.757 9.088 -4.952 1.00 0.00 C ATOM 456 OH TYR P 25 13.555 9.539 -5.959 1.00 0.00 O ATOM 0 H TYR P 25 8.932 6.418 -4.187 1.00 0.00 H new ATOM 0 HA TYR P 25 8.575 6.313 -1.290 1.00 0.00 H new ATOM 0 HB2 TYR P 25 9.964 8.436 -1.091 1.00 0.00 H new ATOM 0 HB3 TYR P 25 10.806 6.900 -1.152 1.00 0.00 H new ATOM 0 HD1 TYR P 25 12.197 6.278 -3.084 1.00 0.00 H new ATOM 0 HD2 TYR P 25 10.242 10.113 -2.872 1.00 0.00 H new ATOM 0 HE1 TYR P 25 13.637 7.110 -4.929 1.00 0.00 H new ATOM 0 HE2 TYR P 25 11.687 10.953 -4.712 1.00 0.00 H new ATOM 0 HH TYR P 25 13.330 10.471 -6.162 1.00 0.00 H new ATOM 466 N PRO P 26 6.464 7.391 -2.405 1.00 0.00 N ATOM 467 CA PRO P 26 5.293 8.227 -2.685 1.00 0.00 C ATOM 468 C PRO P 26 5.042 9.310 -1.626 1.00 0.00 C ATOM 469 O PRO P 26 5.546 9.231 -0.502 1.00 0.00 O ATOM 470 CB PRO P 26 4.105 7.264 -2.819 1.00 0.00 C ATOM 471 CG PRO P 26 4.735 5.884 -2.984 1.00 0.00 C ATOM 472 CD PRO P 26 6.045 6.009 -2.216 1.00 0.00 C ATOM 0 HA PRO P 26 5.453 8.795 -3.601 1.00 0.00 H new ATOM 0 HB2 PRO P 26 3.464 7.303 -1.938 1.00 0.00 H new ATOM 0 HB3 PRO P 26 3.484 7.520 -3.677 1.00 0.00 H new ATOM 0 HG2 PRO P 26 4.100 5.099 -2.573 1.00 0.00 H new ATOM 0 HG3 PRO P 26 4.904 5.641 -4.033 1.00 0.00 H new ATOM 0 HD2 PRO P 26 5.906 5.780 -1.159 1.00 0.00 H new ATOM 0 HD3 PRO P 26 6.793 5.314 -2.597 1.00 0.00 H new ATOM 480 N ASP P 27 4.218 10.304 -1.963 1.00 0.00 N ATOM 481 CA ASP P 27 3.696 11.282 -0.999 1.00 0.00 C ATOM 482 C ASP P 27 2.773 10.594 0.026 1.00 0.00 C ATOM 483 O ASP P 27 2.159 9.569 -0.273 1.00 0.00 O ATOM 484 CB ASP P 27 2.964 12.396 -1.762 1.00 0.00 C ATOM 485 CG ASP P 27 2.411 13.474 -0.818 1.00 0.00 C ATOM 486 OD1 ASP P 27 3.154 14.428 -0.491 1.00 0.00 O ATOM 487 OD2 ASP P 27 1.244 13.344 -0.380 1.00 0.00 O ATOM 0 H ASP P 27 3.891 10.456 -2.917 1.00 0.00 H new ATOM 0 HA ASP P 27 4.521 11.725 -0.440 1.00 0.00 H new ATOM 0 HB2 ASP P 27 3.647 12.856 -2.476 1.00 0.00 H new ATOM 0 HB3 ASP P 27 2.145 11.964 -2.337 1.00 0.00 H new ATOM 492 N MET P 28 2.650 11.143 1.237 1.00 0.00 N ATOM 493 CA MET P 28 1.860 10.551 2.326 1.00 0.00 C ATOM 494 C MET P 28 0.382 10.332 1.944 1.00 0.00 C ATOM 495 O MET P 28 -0.200 9.318 2.336 1.00 0.00 O ATOM 496 CB MET P 28 1.966 11.433 3.581 1.00 0.00 C ATOM 497 CG MET P 28 3.337 11.390 4.277 1.00 0.00 C ATOM 498 SD MET P 28 4.752 12.118 3.393 1.00 0.00 S ATOM 499 CE MET P 28 5.587 10.615 2.801 1.00 0.00 C ATOM 0 H MET P 28 3.100 12.021 1.495 1.00 0.00 H new ATOM 0 HA MET P 28 2.276 9.564 2.530 1.00 0.00 H new ATOM 0 HB2 MET P 28 1.745 12.464 3.305 1.00 0.00 H new ATOM 0 HB3 MET P 28 1.201 11.123 4.293 1.00 0.00 H new ATOM 0 HG2 MET P 28 3.243 11.898 5.237 1.00 0.00 H new ATOM 0 HG3 MET P 28 3.574 10.347 4.490 1.00 0.00 H new ATOM 0 HE1 MET P 28 6.371 10.888 2.094 1.00 0.00 H new ATOM 0 HE2 MET P 28 6.029 10.087 3.646 1.00 0.00 H new ATOM 0 HE3 MET P 28 4.863 9.967 2.307 1.00 0.00 H new ATOM 509 N SER P 29 -0.214 11.211 1.129 1.00 0.00 N ATOM 510 CA SER P 29 -1.574 11.018 0.600 1.00 0.00 C ATOM 511 C SER P 29 -1.636 9.895 -0.444 1.00 0.00 C ATOM 512 O SER P 29 -2.592 9.122 -0.458 1.00 0.00 O ATOM 513 CB SER P 29 -2.113 12.318 -0.006 1.00 0.00 C ATOM 514 OG SER P 29 -2.240 13.319 0.994 1.00 0.00 O ATOM 0 H SER P 29 0.230 12.075 0.817 1.00 0.00 H new ATOM 0 HA SER P 29 -2.200 10.726 1.443 1.00 0.00 H new ATOM 0 HB2 SER P 29 -1.443 12.665 -0.793 1.00 0.00 H new ATOM 0 HB3 SER P 29 -3.082 12.135 -0.471 1.00 0.00 H new ATOM 0 HG SER P 29 -2.584 14.143 0.590 1.00 0.00 H new ATOM 520 N THR P 30 -0.597 9.737 -1.271 1.00 0.00 N ATOM 521 CA THR P 30 -0.476 8.626 -2.233 1.00 0.00 C ATOM 522 C THR P 30 -0.317 7.286 -1.507 1.00 0.00 C ATOM 523 O THR P 30 -1.003 6.323 -1.856 1.00 0.00 O ATOM 524 CB THR P 30 0.706 8.853 -3.193 1.00 0.00 C ATOM 525 OG1 THR P 30 0.661 10.148 -3.754 1.00 0.00 O ATOM 526 CG2 THR P 30 0.736 7.862 -4.359 1.00 0.00 C ATOM 0 H THR P 30 0.194 10.381 -1.295 1.00 0.00 H new ATOM 0 HA THR P 30 -1.395 8.595 -2.818 1.00 0.00 H new ATOM 0 HB THR P 30 1.597 8.713 -2.581 1.00 0.00 H new ATOM 0 HG1 THR P 30 1.423 10.269 -4.359 1.00 0.00 H new ATOM 0 HG21 THR P 30 1.593 8.077 -4.997 1.00 0.00 H new ATOM 0 HG22 THR P 30 0.818 6.847 -3.971 1.00 0.00 H new ATOM 0 HG23 THR P 30 -0.182 7.956 -4.940 1.00 0.00 H new ATOM 534 N ARG P 31 0.511 7.225 -0.449 1.00 0.00 N ATOM 535 CA ARG P 31 0.632 6.039 0.426 1.00 0.00 C ATOM 536 C ARG P 31 -0.695 5.687 1.106 1.00 0.00 C ATOM 537 O ARG P 31 -1.027 4.511 1.210 1.00 0.00 O ATOM 538 CB ARG P 31 1.737 6.215 1.487 1.00 0.00 C ATOM 539 CG ARG P 31 3.127 6.396 0.863 1.00 0.00 C ATOM 540 CD ARG P 31 4.241 6.422 1.914 1.00 0.00 C ATOM 541 NE ARG P 31 5.408 7.150 1.386 1.00 0.00 N ATOM 542 CZ ARG P 31 6.675 7.058 1.727 1.00 0.00 C ATOM 543 NH1 ARG P 31 7.111 6.203 2.606 1.00 0.00 N ATOM 544 NH2 ARG P 31 7.526 7.868 1.170 1.00 0.00 N ATOM 0 H ARG P 31 1.118 7.997 -0.174 1.00 0.00 H new ATOM 0 HA ARG P 31 0.911 5.211 -0.226 1.00 0.00 H new ATOM 0 HB2 ARG P 31 1.506 7.080 2.108 1.00 0.00 H new ATOM 0 HB3 ARG P 31 1.748 5.345 2.144 1.00 0.00 H new ATOM 0 HG2 ARG P 31 3.314 5.585 0.159 1.00 0.00 H new ATOM 0 HG3 ARG P 31 3.148 7.325 0.293 1.00 0.00 H new ATOM 0 HD2 ARG P 31 3.883 6.902 2.825 1.00 0.00 H new ATOM 0 HD3 ARG P 31 4.526 5.404 2.181 1.00 0.00 H new ATOM 0 HE ARG P 31 5.203 7.824 0.648 1.00 0.00 H new ATOM 0 HH11 ARG P 31 6.460 5.566 3.064 1.00 0.00 H new ATOM 0 HH12 ARG P 31 8.104 6.170 2.837 1.00 0.00 H new ATOM 0 HH21 ARG P 31 7.205 8.554 0.486 1.00 0.00 H new ATOM 0 HH22 ARG P 31 8.514 7.818 1.417 1.00 0.00 H new ATOM 558 N GLU P 32 -1.481 6.680 1.522 1.00 0.00 N ATOM 559 CA GLU P 32 -2.810 6.454 2.106 1.00 0.00 C ATOM 560 C GLU P 32 -3.832 5.939 1.076 1.00 0.00 C ATOM 561 O GLU P 32 -4.585 5.013 1.380 1.00 0.00 O ATOM 562 CB GLU P 32 -3.291 7.738 2.804 1.00 0.00 C ATOM 563 CG GLU P 32 -4.611 7.548 3.562 1.00 0.00 C ATOM 564 CD GLU P 32 -5.046 8.854 4.256 1.00 0.00 C ATOM 565 OE1 GLU P 32 -5.658 9.726 3.591 1.00 0.00 O ATOM 566 OE2 GLU P 32 -4.801 9.013 5.477 1.00 0.00 O ATOM 0 H GLU P 32 -1.218 7.664 1.465 1.00 0.00 H new ATOM 0 HA GLU P 32 -2.723 5.661 2.849 1.00 0.00 H new ATOM 0 HB2 GLU P 32 -2.524 8.076 3.500 1.00 0.00 H new ATOM 0 HB3 GLU P 32 -3.415 8.525 2.060 1.00 0.00 H new ATOM 0 HG2 GLU P 32 -5.388 7.224 2.870 1.00 0.00 H new ATOM 0 HG3 GLU P 32 -4.497 6.758 4.305 1.00 0.00 H new ATOM 573 N GLU P 33 -3.840 6.453 -0.158 1.00 0.00 N ATOM 574 CA GLU P 33 -4.707 5.925 -1.225 1.00 0.00 C ATOM 575 C GLU P 33 -4.362 4.469 -1.569 1.00 0.00 C ATOM 576 O GLU P 33 -5.261 3.630 -1.609 1.00 0.00 O ATOM 577 CB GLU P 33 -4.638 6.806 -2.482 1.00 0.00 C ATOM 578 CG GLU P 33 -5.413 8.119 -2.308 1.00 0.00 C ATOM 579 CD GLU P 33 -5.386 8.955 -3.602 1.00 0.00 C ATOM 580 OE1 GLU P 33 -4.393 9.682 -3.847 1.00 0.00 O ATOM 581 OE2 GLU P 33 -6.368 8.900 -4.383 1.00 0.00 O ATOM 0 H GLU P 33 -3.255 7.237 -0.447 1.00 0.00 H new ATOM 0 HA GLU P 33 -5.729 5.945 -0.847 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -3.596 7.028 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -5.042 6.257 -3.332 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -6.445 7.902 -2.033 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -4.980 8.695 -1.490 1.00 0.00 H new ATOM 588 N ILE P 34 -3.079 4.115 -1.728 1.00 0.00 N ATOM 589 CA ILE P 34 -2.707 2.712 -1.989 1.00 0.00 C ATOM 590 C ILE P 34 -2.923 1.807 -0.763 1.00 0.00 C ATOM 591 O ILE P 34 -3.178 0.614 -0.931 1.00 0.00 O ATOM 592 CB ILE P 34 -1.315 2.570 -2.647 1.00 0.00 C ATOM 593 CG1 ILE P 34 -0.112 2.952 -1.770 1.00 0.00 C ATOM 594 CG2 ILE P 34 -1.254 3.405 -3.938 1.00 0.00 C ATOM 595 CD1 ILE P 34 0.320 1.865 -0.783 1.00 0.00 C ATOM 0 H ILE P 34 -2.293 4.764 -1.682 1.00 0.00 H new ATOM 0 HA ILE P 34 -3.403 2.340 -2.741 1.00 0.00 H new ATOM 0 HB ILE P 34 -1.221 1.501 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE P 34 0.731 3.195 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE P 34 -0.357 3.856 -1.212 1.00 0.00 H new ATOM 0 HG21 ILE P 34 -0.270 3.298 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE P 34 -2.016 3.055 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE P 34 -1.433 4.454 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE P 34 1.174 2.217 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE P 34 -0.505 1.637 -0.109 1.00 0.00 H new ATOM 0 HD13 ILE P 34 0.599 0.966 -1.332 1.00 0.00 H new ATOM 607 N ALA P 35 -2.925 2.356 0.461 1.00 0.00 N ATOM 608 CA ALA P 35 -3.332 1.638 1.671 1.00 0.00 C ATOM 609 C ALA P 35 -4.835 1.302 1.644 1.00 0.00 C ATOM 610 O ALA P 35 -5.213 0.154 1.863 1.00 0.00 O ATOM 611 CB ALA P 35 -2.952 2.448 2.917 1.00 0.00 C ATOM 0 H ALA P 35 -2.641 3.320 0.637 1.00 0.00 H new ATOM 0 HA ALA P 35 -2.798 0.689 1.708 1.00 0.00 H new ATOM 0 HB1 ALA P 35 -3.259 1.906 3.811 1.00 0.00 H new ATOM 0 HB2 ALA P 35 -1.873 2.600 2.937 1.00 0.00 H new ATOM 0 HB3 ALA P 35 -3.454 3.415 2.889 1.00 0.00 H new ATOM 617 N VAL P 36 -5.695 2.259 1.280 1.00 0.00 N ATOM 618 CA VAL P 36 -7.134 2.039 1.042 1.00 0.00 C ATOM 619 C VAL P 36 -7.357 0.974 -0.041 1.00 0.00 C ATOM 620 O VAL P 36 -8.163 0.064 0.153 1.00 0.00 O ATOM 621 CB VAL P 36 -7.825 3.371 0.675 1.00 0.00 C ATOM 622 CG1 VAL P 36 -9.255 3.217 0.148 1.00 0.00 C ATOM 623 CG2 VAL P 36 -7.904 4.292 1.896 1.00 0.00 C ATOM 0 H VAL P 36 -5.410 3.228 1.139 1.00 0.00 H new ATOM 0 HA VAL P 36 -7.585 1.665 1.961 1.00 0.00 H new ATOM 0 HB VAL P 36 -7.206 3.787 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL P 36 -9.665 4.200 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL P 36 -9.247 2.604 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL P 36 -9.873 2.737 0.907 1.00 0.00 H new ATOM 0 HG21 VAL P 36 -8.394 5.225 1.617 1.00 0.00 H new ATOM 0 HG22 VAL P 36 -8.477 3.803 2.684 1.00 0.00 H new ATOM 0 HG23 VAL P 36 -6.898 4.505 2.257 1.00 0.00 H new ATOM 633 N TRP P 37 -6.611 1.029 -1.150 1.00 0.00 N ATOM 634 CA TRP P 37 -6.745 0.084 -2.270 1.00 0.00 C ATOM 635 C TRP P 37 -6.275 -1.342 -1.921 1.00 0.00 C ATOM 636 O TRP P 37 -6.839 -2.315 -2.427 1.00 0.00 O ATOM 637 CB TRP P 37 -5.981 0.628 -3.487 1.00 0.00 C ATOM 638 CG TRP P 37 -6.375 1.972 -4.036 1.00 0.00 C ATOM 639 CD1 TRP P 37 -7.414 2.739 -3.632 1.00 0.00 C ATOM 640 CD2 TRP P 37 -5.695 2.752 -5.070 1.00 0.00 C ATOM 641 NE1 TRP P 37 -7.428 3.927 -4.337 1.00 0.00 N ATOM 642 CE2 TRP P 37 -6.379 3.997 -5.227 1.00 0.00 C ATOM 643 CE3 TRP P 37 -4.558 2.540 -5.882 1.00 0.00 C ATOM 644 CZ2 TRP P 37 -5.954 4.980 -6.133 1.00 0.00 C ATOM 645 CZ3 TRP P 37 -4.124 3.520 -6.797 1.00 0.00 C ATOM 646 CH2 TRP P 37 -4.816 4.739 -6.922 1.00 0.00 C ATOM 0 H TRP P 37 -5.891 1.736 -1.299 1.00 0.00 H new ATOM 0 HA TRP P 37 -7.807 -0.001 -2.502 1.00 0.00 H new ATOM 0 HB2 TRP P 37 -4.925 0.674 -3.223 1.00 0.00 H new ATOM 0 HB3 TRP P 37 -6.077 -0.101 -4.292 1.00 0.00 H new ATOM 0 HD1 TRP P 37 -8.128 2.463 -2.870 1.00 0.00 H new ATOM 0 HE1 TRP P 37 -8.127 4.660 -4.214 1.00 0.00 H new ATOM 0 HE3 TRP P 37 -4.013 1.611 -5.800 1.00 0.00 H new ATOM 0 HZ2 TRP P 37 -6.495 5.911 -6.223 1.00 0.00 H new ATOM 0 HZ3 TRP P 37 -3.253 3.334 -7.408 1.00 0.00 H new ATOM 0 HH2 TRP P 37 -4.474 5.487 -7.622 1.00 0.00 H new ATOM 657 N THR P 38 -5.291 -1.485 -1.025 1.00 0.00 N ATOM 658 CA THR P 38 -4.828 -2.778 -0.472 1.00 0.00 C ATOM 659 C THR P 38 -5.587 -3.220 0.787 1.00 0.00 C ATOM 660 O THR P 38 -5.382 -4.337 1.262 1.00 0.00 O ATOM 661 CB THR P 38 -3.314 -2.773 -0.185 1.00 0.00 C ATOM 662 OG1 THR P 38 -2.938 -1.673 0.604 1.00 0.00 O ATOM 663 CG2 THR P 38 -2.479 -2.743 -1.463 1.00 0.00 C ATOM 0 H THR P 38 -4.777 -0.688 -0.650 1.00 0.00 H new ATOM 0 HA THR P 38 -5.045 -3.506 -1.254 1.00 0.00 H new ATOM 0 HB THR P 38 -3.119 -3.702 0.351 1.00 0.00 H new ATOM 0 HG1 THR P 38 -2.938 -0.861 0.055 1.00 0.00 H new ATOM 0 HG21 THR P 38 -1.420 -2.741 -1.206 1.00 0.00 H new ATOM 0 HG22 THR P 38 -2.704 -3.623 -2.065 1.00 0.00 H new ATOM 0 HG23 THR P 38 -2.716 -1.844 -2.032 1.00 0.00 H new ATOM 671 N ASN P 39 -6.490 -2.386 1.315 1.00 0.00 N ATOM 672 CA ASN P 39 -7.178 -2.544 2.605 1.00 0.00 C ATOM 673 C ASN P 39 -6.219 -2.694 3.814 1.00 0.00 C ATOM 674 O ASN P 39 -6.458 -3.477 4.738 1.00 0.00 O ATOM 675 CB ASN P 39 -8.276 -3.623 2.519 1.00 0.00 C ATOM 676 CG ASN P 39 -9.348 -3.304 1.489 1.00 0.00 C ATOM 677 OD1 ASN P 39 -10.331 -2.630 1.770 1.00 0.00 O ATOM 678 ND2 ASN P 39 -9.207 -3.776 0.269 1.00 0.00 N ATOM 0 H ASN P 39 -6.777 -1.536 0.829 1.00 0.00 H new ATOM 0 HA ASN P 39 -7.689 -1.604 2.814 1.00 0.00 H new ATOM 0 HB2 ASN P 39 -7.817 -4.580 2.272 1.00 0.00 H new ATOM 0 HB3 ASN P 39 -8.743 -3.736 3.497 1.00 0.00 H new ATOM 0 HD21 ASN P 39 -9.915 -3.580 -0.439 1.00 0.00 H new ATOM 0 HD22 ASN P 39 -8.390 -4.338 0.031 1.00 0.00 H new ATOM 685 N LEU P 40 -5.133 -1.920 3.802 1.00 0.00 N ATOM 686 CA LEU P 40 -4.175 -1.722 4.895 1.00 0.00 C ATOM 687 C LEU P 40 -4.333 -0.319 5.518 1.00 0.00 C ATOM 688 O LEU P 40 -5.068 0.527 5.001 1.00 0.00 O ATOM 689 CB LEU P 40 -2.751 -1.918 4.335 1.00 0.00 C ATOM 690 CG LEU P 40 -2.435 -3.344 3.851 1.00 0.00 C ATOM 691 CD1 LEU P 40 -1.062 -3.360 3.184 1.00 0.00 C ATOM 692 CD2 LEU P 40 -2.420 -4.338 5.014 1.00 0.00 C ATOM 0 H LEU P 40 -4.881 -1.378 2.975 1.00 0.00 H new ATOM 0 HA LEU P 40 -4.363 -2.448 5.686 1.00 0.00 H new ATOM 0 HB2 LEU P 40 -2.605 -1.227 3.504 1.00 0.00 H new ATOM 0 HB3 LEU P 40 -2.032 -1.644 5.107 1.00 0.00 H new ATOM 0 HG LEU P 40 -3.213 -3.639 3.146 1.00 0.00 H new ATOM 0 HD11 LEU P 40 -0.836 -4.369 2.840 1.00 0.00 H new ATOM 0 HD12 LEU P 40 -1.063 -2.679 2.333 1.00 0.00 H new ATOM 0 HD13 LEU P 40 -0.305 -3.043 3.902 1.00 0.00 H new ATOM 0 HD21 LEU P 40 -2.194 -5.335 4.637 1.00 0.00 H new ATOM 0 HD22 LEU P 40 -1.659 -4.042 5.736 1.00 0.00 H new ATOM 0 HD23 LEU P 40 -3.396 -4.346 5.498 1.00 0.00 H new ATOM 704 N THR P 41 -3.626 -0.053 6.620 1.00 0.00 N ATOM 705 CA THR P 41 -3.489 1.308 7.174 1.00 0.00 C ATOM 706 C THR P 41 -2.279 2.010 6.554 1.00 0.00 C ATOM 707 O THR P 41 -1.306 1.368 6.151 1.00 0.00 O ATOM 708 CB THR P 41 -3.391 1.335 8.708 1.00 0.00 C ATOM 709 OG1 THR P 41 -2.160 0.809 9.147 1.00 0.00 O ATOM 710 CG2 THR P 41 -4.506 0.547 9.394 1.00 0.00 C ATOM 0 H THR P 41 -3.132 -0.767 7.155 1.00 0.00 H new ATOM 0 HA THR P 41 -4.402 1.843 6.913 1.00 0.00 H new ATOM 0 HB THR P 41 -3.484 2.386 8.983 1.00 0.00 H new ATOM 0 HG1 THR P 41 -2.122 0.839 10.126 1.00 0.00 H new ATOM 0 HG21 THR P 41 -4.380 0.605 10.475 1.00 0.00 H new ATOM 0 HG22 THR P 41 -5.472 0.969 9.118 1.00 0.00 H new ATOM 0 HG23 THR P 41 -4.462 -0.496 9.079 1.00 0.00 H new ATOM 718 N GLU P 42 -2.297 3.345 6.503 1.00 0.00 N ATOM 719 CA GLU P 42 -1.146 4.120 6.011 1.00 0.00 C ATOM 720 C GLU P 42 0.109 3.945 6.883 1.00 0.00 C ATOM 721 O GLU P 42 1.226 4.046 6.377 1.00 0.00 O ATOM 722 CB GLU P 42 -1.536 5.593 5.808 1.00 0.00 C ATOM 723 CG GLU P 42 -1.962 6.371 7.066 1.00 0.00 C ATOM 724 CD GLU P 42 -0.790 7.138 7.702 1.00 0.00 C ATOM 725 OE1 GLU P 42 -0.392 8.202 7.176 1.00 0.00 O ATOM 726 OE2 GLU P 42 -0.224 6.679 8.719 1.00 0.00 O ATOM 0 H GLU P 42 -3.092 3.914 6.795 1.00 0.00 H new ATOM 0 HA GLU P 42 -0.868 3.717 5.037 1.00 0.00 H new ATOM 0 HB2 GLU P 42 -0.689 6.111 5.357 1.00 0.00 H new ATOM 0 HB3 GLU P 42 -2.354 5.633 5.089 1.00 0.00 H new ATOM 0 HG2 GLU P 42 -2.754 7.073 6.806 1.00 0.00 H new ATOM 0 HG3 GLU P 42 -2.378 5.677 7.796 1.00 0.00 H new ATOM 733 N ALA P 43 -0.056 3.588 8.162 1.00 0.00 N ATOM 734 CA ALA P 43 1.048 3.276 9.064 1.00 0.00 C ATOM 735 C ALA P 43 1.684 1.908 8.750 1.00 0.00 C ATOM 736 O ALA P 43 2.910 1.805 8.675 1.00 0.00 O ATOM 737 CB ALA P 43 0.542 3.359 10.509 1.00 0.00 C ATOM 0 H ALA P 43 -0.973 3.508 8.601 1.00 0.00 H new ATOM 0 HA ALA P 43 1.843 4.008 8.922 1.00 0.00 H new ATOM 0 HB1 ALA P 43 1.358 3.128 11.194 1.00 0.00 H new ATOM 0 HB2 ALA P 43 0.175 4.366 10.709 1.00 0.00 H new ATOM 0 HB3 ALA P 43 -0.267 2.643 10.653 1.00 0.00 H new ATOM 743 N ARG P 44 0.875 0.870 8.488 1.00 0.00 N ATOM 744 CA ARG P 44 1.362 -0.461 8.067 1.00 0.00 C ATOM 745 C ARG P 44 2.039 -0.392 6.695 1.00 0.00 C ATOM 746 O ARG P 44 3.084 -1.007 6.495 1.00 0.00 O ATOM 747 CB ARG P 44 0.206 -1.477 8.097 1.00 0.00 C ATOM 748 CG ARG P 44 -0.224 -1.774 9.545 1.00 0.00 C ATOM 749 CD ARG P 44 -1.564 -2.513 9.618 1.00 0.00 C ATOM 750 NE ARG P 44 -2.193 -2.335 10.943 1.00 0.00 N ATOM 751 CZ ARG P 44 -1.925 -2.985 12.059 1.00 0.00 C ATOM 752 NH1 ARG P 44 -1.210 -4.072 12.084 1.00 0.00 N ATOM 753 NH2 ARG P 44 -2.394 -2.557 13.194 1.00 0.00 N ATOM 0 H ARG P 44 -0.141 0.926 8.561 1.00 0.00 H new ATOM 0 HA ARG P 44 2.122 -0.800 8.771 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -0.642 -1.087 7.534 1.00 0.00 H new ATOM 0 HB3 ARG P 44 0.515 -2.401 7.608 1.00 0.00 H new ATOM 0 HG2 ARG P 44 0.545 -2.373 10.034 1.00 0.00 H new ATOM 0 HG3 ARG P 44 -0.298 -0.838 10.098 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -2.232 -2.141 8.841 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -1.410 -3.574 9.424 1.00 0.00 H new ATOM 0 HE ARG P 44 -2.922 -1.624 11.002 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -0.832 -4.454 11.217 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -1.028 -4.542 12.971 1.00 0.00 H new ATOM 0 HH21 ARG P 44 -2.971 -1.716 13.223 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -2.185 -3.062 14.055 1.00 0.00 H new ATOM 767 N VAL P 45 1.519 0.438 5.790 1.00 0.00 N ATOM 768 CA VAL P 45 2.164 0.762 4.505 1.00 0.00 C ATOM 769 C VAL P 45 3.489 1.512 4.696 1.00 0.00 C ATOM 770 O VAL P 45 4.477 1.158 4.055 1.00 0.00 O ATOM 771 CB VAL P 45 1.174 1.522 3.603 1.00 0.00 C ATOM 772 CG1 VAL P 45 1.829 2.240 2.422 1.00 0.00 C ATOM 773 CG2 VAL P 45 0.148 0.525 3.048 1.00 0.00 C ATOM 0 H VAL P 45 0.627 0.913 5.925 1.00 0.00 H new ATOM 0 HA VAL P 45 2.429 -0.169 4.004 1.00 0.00 H new ATOM 0 HB VAL P 45 0.716 2.289 4.227 1.00 0.00 H new ATOM 0 HG11 VAL P 45 1.064 2.750 1.837 1.00 0.00 H new ATOM 0 HG12 VAL P 45 2.549 2.969 2.793 1.00 0.00 H new ATOM 0 HG13 VAL P 45 2.342 1.512 1.793 1.00 0.00 H new ATOM 0 HG21 VAL P 45 -0.560 1.050 2.407 1.00 0.00 H new ATOM 0 HG22 VAL P 45 0.662 -0.242 2.469 1.00 0.00 H new ATOM 0 HG23 VAL P 45 -0.388 0.057 3.874 1.00 0.00 H new ATOM 783 N ARG P 46 3.576 2.494 5.604 1.00 0.00 N ATOM 784 CA ARG P 46 4.839 3.197 5.909 1.00 0.00 C ATOM 785 C ARG P 46 5.901 2.253 6.483 1.00 0.00 C ATOM 786 O ARG P 46 7.060 2.323 6.072 1.00 0.00 O ATOM 787 CB ARG P 46 4.533 4.382 6.836 1.00 0.00 C ATOM 788 CG ARG P 46 5.742 5.308 7.047 1.00 0.00 C ATOM 789 CD ARG P 46 5.389 6.511 7.933 1.00 0.00 C ATOM 790 NE ARG P 46 4.396 7.400 7.292 1.00 0.00 N ATOM 791 CZ ARG P 46 3.105 7.492 7.563 1.00 0.00 C ATOM 792 NH1 ARG P 46 2.537 6.824 8.525 1.00 0.00 N ATOM 793 NH2 ARG P 46 2.342 8.262 6.849 1.00 0.00 N ATOM 0 H ARG P 46 2.779 2.825 6.148 1.00 0.00 H new ATOM 0 HA ARG P 46 5.272 3.580 4.985 1.00 0.00 H new ATOM 0 HB2 ARG P 46 3.709 4.960 6.418 1.00 0.00 H new ATOM 0 HB3 ARG P 46 4.199 4.004 7.802 1.00 0.00 H new ATOM 0 HG2 ARG P 46 6.556 4.745 7.505 1.00 0.00 H new ATOM 0 HG3 ARG P 46 6.103 5.661 6.081 1.00 0.00 H new ATOM 0 HD2 ARG P 46 4.996 6.156 8.886 1.00 0.00 H new ATOM 0 HD3 ARG P 46 6.294 7.077 8.152 1.00 0.00 H new ATOM 0 HE ARG P 46 4.747 8.013 6.556 1.00 0.00 H new ATOM 0 HH11 ARG P 46 3.092 6.197 9.107 1.00 0.00 H new ATOM 0 HH12 ARG P 46 1.537 6.928 8.696 1.00 0.00 H new ATOM 0 HH21 ARG P 46 2.738 8.798 6.077 1.00 0.00 H new ATOM 0 HH22 ARG P 46 1.346 8.331 7.060 1.00 0.00 H new ATOM 807 N VAL P 47 5.504 1.315 7.350 1.00 0.00 N ATOM 808 CA VAL P 47 6.373 0.219 7.818 1.00 0.00 C ATOM 809 C VAL P 47 6.805 -0.678 6.653 1.00 0.00 C ATOM 810 O VAL P 47 7.979 -1.035 6.587 1.00 0.00 O ATOM 811 CB VAL P 47 5.702 -0.598 8.943 1.00 0.00 C ATOM 812 CG1 VAL P 47 6.490 -1.864 9.318 1.00 0.00 C ATOM 813 CG2 VAL P 47 5.586 0.251 10.217 1.00 0.00 C ATOM 0 H VAL P 47 4.567 1.291 7.751 1.00 0.00 H new ATOM 0 HA VAL P 47 7.272 0.669 8.240 1.00 0.00 H new ATOM 0 HB VAL P 47 4.725 -0.888 8.556 1.00 0.00 H new ATOM 0 HG11 VAL P 47 5.968 -2.395 10.114 1.00 0.00 H new ATOM 0 HG12 VAL P 47 6.576 -2.511 8.445 1.00 0.00 H new ATOM 0 HG13 VAL P 47 7.486 -1.584 9.661 1.00 0.00 H new ATOM 0 HG21 VAL P 47 5.111 -0.336 11.003 1.00 0.00 H new ATOM 0 HG22 VAL P 47 6.580 0.557 10.542 1.00 0.00 H new ATOM 0 HG23 VAL P 47 4.984 1.136 10.011 1.00 0.00 H new ATOM 823 N TRP P 48 5.924 -0.985 5.693 1.00 0.00 N ATOM 824 CA TRP P 48 6.302 -1.746 4.496 1.00 0.00 C ATOM 825 C TRP P 48 7.359 -1.021 3.650 1.00 0.00 C ATOM 826 O TRP P 48 8.363 -1.633 3.295 1.00 0.00 O ATOM 827 CB TRP P 48 5.080 -2.108 3.643 1.00 0.00 C ATOM 828 CG TRP P 48 5.408 -3.094 2.563 1.00 0.00 C ATOM 829 CD1 TRP P 48 5.308 -4.438 2.671 1.00 0.00 C ATOM 830 CD2 TRP P 48 5.959 -2.839 1.233 1.00 0.00 C ATOM 831 NE1 TRP P 48 5.771 -5.031 1.511 1.00 0.00 N ATOM 832 CE2 TRP P 48 6.200 -4.095 0.595 1.00 0.00 C ATOM 833 CE3 TRP P 48 6.292 -1.675 0.505 1.00 0.00 C ATOM 834 CZ2 TRP P 48 6.755 -4.193 -0.690 1.00 0.00 C ATOM 835 CZ3 TRP P 48 6.852 -1.762 -0.782 1.00 0.00 C ATOM 836 CH2 TRP P 48 7.087 -3.015 -1.380 1.00 0.00 C ATOM 0 H TRP P 48 4.940 -0.717 5.723 1.00 0.00 H new ATOM 0 HA TRP P 48 6.751 -2.672 4.854 1.00 0.00 H new ATOM 0 HB2 TRP P 48 4.302 -2.522 4.285 1.00 0.00 H new ATOM 0 HB3 TRP P 48 4.673 -1.202 3.193 1.00 0.00 H new ATOM 0 HD1 TRP P 48 4.925 -4.967 3.531 1.00 0.00 H new ATOM 0 HE1 TRP P 48 5.792 -6.038 1.353 1.00 0.00 H new ATOM 0 HE3 TRP P 48 6.114 -0.704 0.943 1.00 0.00 H new ATOM 0 HZ2 TRP P 48 6.924 -5.159 -1.142 1.00 0.00 H new ATOM 0 HZ3 TRP P 48 7.104 -0.859 -1.317 1.00 0.00 H new ATOM 0 HH2 TRP P 48 7.522 -3.070 -2.367 1.00 0.00 H new ATOM 847 N PHE P 49 7.204 0.283 3.385 1.00 0.00 N ATOM 848 CA PHE P 49 8.215 1.068 2.658 1.00 0.00 C ATOM 849 C PHE P 49 9.559 1.122 3.404 1.00 0.00 C ATOM 850 O PHE P 49 10.609 0.944 2.782 1.00 0.00 O ATOM 851 CB PHE P 49 7.695 2.484 2.359 1.00 0.00 C ATOM 852 CG PHE P 49 6.833 2.573 1.114 1.00 0.00 C ATOM 853 CD1 PHE P 49 7.436 2.565 -0.160 1.00 0.00 C ATOM 854 CD2 PHE P 49 5.433 2.668 1.217 1.00 0.00 C ATOM 855 CE1 PHE P 49 6.644 2.636 -1.320 1.00 0.00 C ATOM 856 CE2 PHE P 49 4.641 2.729 0.058 1.00 0.00 C ATOM 857 CZ PHE P 49 5.246 2.709 -1.209 1.00 0.00 C ATOM 0 H PHE P 49 6.384 0.821 3.665 1.00 0.00 H new ATOM 0 HA PHE P 49 8.397 0.558 1.712 1.00 0.00 H new ATOM 0 HB2 PHE P 49 7.118 2.837 3.214 1.00 0.00 H new ATOM 0 HB3 PHE P 49 8.545 3.157 2.249 1.00 0.00 H new ATOM 0 HD1 PHE P 49 8.511 2.504 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE P 49 4.966 2.694 2.190 1.00 0.00 H new ATOM 0 HE1 PHE P 49 7.110 2.634 -2.294 1.00 0.00 H new ATOM 0 HE2 PHE P 49 3.566 2.791 0.142 1.00 0.00 H new ATOM 0 HZ PHE P 49 4.636 2.750 -2.099 1.00 0.00 H new ATOM 867 N LYS P 50 9.545 1.288 4.734 1.00 0.00 N ATOM 868 CA LYS P 50 10.756 1.239 5.575 1.00 0.00 C ATOM 869 C LYS P 50 11.436 -0.136 5.513 1.00 0.00 C ATOM 870 O LYS P 50 12.650 -0.215 5.326 1.00 0.00 O ATOM 871 CB LYS P 50 10.383 1.645 7.012 1.00 0.00 C ATOM 872 CG LYS P 50 11.615 1.781 7.920 1.00 0.00 C ATOM 873 CD LYS P 50 11.216 2.262 9.322 1.00 0.00 C ATOM 874 CE LYS P 50 12.463 2.391 10.208 1.00 0.00 C ATOM 875 NZ LYS P 50 12.120 2.865 11.575 1.00 0.00 N ATOM 0 H LYS P 50 8.690 1.461 5.262 1.00 0.00 H new ATOM 0 HA LYS P 50 11.490 1.948 5.192 1.00 0.00 H new ATOM 0 HB2 LYS P 50 9.844 2.592 6.991 1.00 0.00 H new ATOM 0 HB3 LYS P 50 9.705 0.902 7.432 1.00 0.00 H new ATOM 0 HG2 LYS P 50 12.125 0.820 7.993 1.00 0.00 H new ATOM 0 HG3 LYS P 50 12.321 2.484 7.478 1.00 0.00 H new ATOM 0 HD2 LYS P 50 10.707 3.223 9.254 1.00 0.00 H new ATOM 0 HD3 LYS P 50 10.513 1.560 9.770 1.00 0.00 H new ATOM 0 HE2 LYS P 50 12.965 1.426 10.273 1.00 0.00 H new ATOM 0 HE3 LYS P 50 13.166 3.085 9.748 1.00 0.00 H new ATOM 0 HZ1 LYS P 50 12.987 2.940 12.144 1.00 0.00 H new ATOM 0 HZ2 LYS P 50 11.664 3.798 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS P 50 11.469 2.189 12.023 1.00 0.00 H new ATOM 889 N ASN P 51 10.658 -1.217 5.588 1.00 0.00 N ATOM 890 CA ASN P 51 11.138 -2.596 5.478 1.00 0.00 C ATOM 891 C ASN P 51 11.724 -2.888 4.083 1.00 0.00 C ATOM 892 O ASN P 51 12.820 -3.436 3.973 1.00 0.00 O ATOM 893 CB ASN P 51 9.970 -3.536 5.829 1.00 0.00 C ATOM 894 CG ASN P 51 10.418 -4.972 6.018 1.00 0.00 C ATOM 895 OD1 ASN P 51 10.573 -5.734 5.075 1.00 0.00 O ATOM 896 ND2 ASN P 51 10.651 -5.383 7.245 1.00 0.00 N ATOM 0 H ASN P 51 9.650 -1.156 5.731 1.00 0.00 H new ATOM 0 HA ASN P 51 11.958 -2.761 6.177 1.00 0.00 H new ATOM 0 HB2 ASN P 51 9.488 -3.186 6.742 1.00 0.00 H new ATOM 0 HB3 ASN P 51 9.222 -3.493 5.037 1.00 0.00 H new ATOM 0 HD21 ASN P 51 10.962 -6.340 7.412 1.00 0.00 H new ATOM 0 HD22 ASN P 51 10.521 -4.745 8.030 1.00 0.00 H new ATOM 903 N ARG P 52 11.050 -2.444 3.013 1.00 0.00 N ATOM 904 CA ARG P 52 11.490 -2.592 1.616 1.00 0.00 C ATOM 905 C ARG P 52 12.786 -1.829 1.327 1.00 0.00 C ATOM 906 O ARG P 52 13.660 -2.364 0.643 1.00 0.00 O ATOM 907 CB ARG P 52 10.337 -2.147 0.693 1.00 0.00 C ATOM 908 CG ARG P 52 10.611 -2.351 -0.804 1.00 0.00 C ATOM 909 CD ARG P 52 10.766 -3.830 -1.172 1.00 0.00 C ATOM 910 NE ARG P 52 11.020 -4.000 -2.610 1.00 0.00 N ATOM 911 CZ ARG P 52 12.173 -3.950 -3.241 1.00 0.00 C ATOM 912 NH1 ARG P 52 13.305 -3.685 -2.645 1.00 0.00 N ATOM 913 NH2 ARG P 52 12.177 -4.182 -4.518 1.00 0.00 N ATOM 0 H ARG P 52 10.157 -1.958 3.097 1.00 0.00 H new ATOM 0 HA ARG P 52 11.726 -3.639 1.425 1.00 0.00 H new ATOM 0 HB2 ARG P 52 9.437 -2.699 0.964 1.00 0.00 H new ATOM 0 HB3 ARG P 52 10.130 -1.092 0.872 1.00 0.00 H new ATOM 0 HG2 ARG P 52 9.794 -1.919 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG P 52 11.518 -1.813 -1.081 1.00 0.00 H new ATOM 0 HD2 ARG P 52 11.587 -4.264 -0.602 1.00 0.00 H new ATOM 0 HD3 ARG P 52 9.863 -4.373 -0.894 1.00 0.00 H new ATOM 0 HE ARG P 52 10.200 -4.179 -3.190 1.00 0.00 H new ATOM 0 HH11 ARG P 52 13.323 -3.504 -1.641 1.00 0.00 H new ATOM 0 HH12 ARG P 52 14.171 -3.659 -3.183 1.00 0.00 H new ATOM 0 HH21 ARG P 52 11.304 -4.395 -5.000 1.00 0.00 H new ATOM 0 HH22 ARG P 52 13.053 -4.152 -5.039 1.00 0.00 H new ATOM 927 N ARG P 53 12.943 -0.626 1.894 1.00 0.00 N ATOM 928 CA ARG P 53 14.181 0.173 1.836 1.00 0.00 C ATOM 929 C ARG P 53 15.320 -0.480 2.625 1.00 0.00 C ATOM 930 O ARG P 53 16.437 -0.547 2.121 1.00 0.00 O ATOM 931 CB ARG P 53 13.882 1.606 2.313 1.00 0.00 C ATOM 932 CG ARG P 53 15.073 2.555 2.097 1.00 0.00 C ATOM 933 CD ARG P 53 14.715 3.982 2.528 1.00 0.00 C ATOM 934 NE ARG P 53 15.848 4.907 2.317 1.00 0.00 N ATOM 935 CZ ARG P 53 15.893 6.187 2.641 1.00 0.00 C ATOM 936 NH1 ARG P 53 14.889 6.795 3.210 1.00 0.00 N ATOM 937 NH2 ARG P 53 16.962 6.891 2.400 1.00 0.00 N ATOM 0 H ARG P 53 12.198 -0.168 2.419 1.00 0.00 H new ATOM 0 HA ARG P 53 14.528 0.218 0.804 1.00 0.00 H new ATOM 0 HB2 ARG P 53 13.013 1.990 1.779 1.00 0.00 H new ATOM 0 HB3 ARG P 53 13.623 1.587 3.372 1.00 0.00 H new ATOM 0 HG2 ARG P 53 15.933 2.203 2.667 1.00 0.00 H new ATOM 0 HG3 ARG P 53 15.363 2.549 1.046 1.00 0.00 H new ATOM 0 HD2 ARG P 53 13.850 4.329 1.963 1.00 0.00 H new ATOM 0 HD3 ARG P 53 14.431 3.986 3.580 1.00 0.00 H new ATOM 0 HE ARG P 53 16.681 4.517 1.876 1.00 0.00 H new ATOM 0 HH11 ARG P 53 14.033 6.281 3.419 1.00 0.00 H new ATOM 0 HH12 ARG P 53 14.960 7.785 3.446 1.00 0.00 H new ATOM 0 HH21 ARG P 53 17.771 6.455 1.958 1.00 0.00 H new ATOM 0 HH22 ARG P 53 16.990 7.879 2.653 1.00 0.00 H new ATOM 951 N ALA P 54 15.045 -1.036 3.805 1.00 0.00 N ATOM 952 CA ALA P 54 16.032 -1.795 4.580 1.00 0.00 C ATOM 953 C ALA P 54 16.500 -3.061 3.836 1.00 0.00 C ATOM 954 O ALA P 54 17.703 -3.315 3.755 1.00 0.00 O ATOM 955 CB ALA P 54 15.442 -2.115 5.959 1.00 0.00 C ATOM 0 H ALA P 54 14.131 -0.974 4.253 1.00 0.00 H new ATOM 0 HA ALA P 54 16.927 -1.187 4.713 1.00 0.00 H new ATOM 0 HB1 ALA P 54 16.168 -2.680 6.543 1.00 0.00 H new ATOM 0 HB2 ALA P 54 15.203 -1.186 6.477 1.00 0.00 H new ATOM 0 HB3 ALA P 54 14.535 -2.707 5.838 1.00 0.00 H new ATOM 961 N LYS P 55 15.576 -3.808 3.212 1.00 0.00 N ATOM 962 CA LYS P 55 15.875 -4.978 2.362 1.00 0.00 C ATOM 963 C LYS P 55 16.680 -4.627 1.103 1.00 0.00 C ATOM 964 O LYS P 55 17.542 -5.407 0.700 1.00 0.00 O ATOM 965 CB LYS P 55 14.565 -5.693 1.993 1.00 0.00 C ATOM 966 CG LYS P 55 14.032 -6.530 3.167 1.00 0.00 C ATOM 967 CD LYS P 55 12.790 -7.328 2.750 1.00 0.00 C ATOM 968 CE LYS P 55 12.354 -8.258 3.887 1.00 0.00 C ATOM 969 NZ LYS P 55 11.312 -9.213 3.431 1.00 0.00 N ATOM 0 H LYS P 55 14.577 -3.614 3.284 1.00 0.00 H new ATOM 0 HA LYS P 55 16.511 -5.645 2.944 1.00 0.00 H new ATOM 0 HB2 LYS P 55 13.817 -4.956 1.700 1.00 0.00 H new ATOM 0 HB3 LYS P 55 14.732 -6.338 1.130 1.00 0.00 H new ATOM 0 HG2 LYS P 55 14.808 -7.212 3.514 1.00 0.00 H new ATOM 0 HG3 LYS P 55 13.785 -5.876 4.003 1.00 0.00 H new ATOM 0 HD2 LYS P 55 11.978 -6.646 2.496 1.00 0.00 H new ATOM 0 HD3 LYS P 55 13.007 -7.912 1.855 1.00 0.00 H new ATOM 0 HE2 LYS P 55 13.217 -8.809 4.261 1.00 0.00 H new ATOM 0 HE3 LYS P 55 11.970 -7.666 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS P 55 11.000 -9.796 4.234 1.00 0.00 H new ATOM 0 HZ2 LYS P 55 10.501 -8.686 3.050 1.00 0.00 H new ATOM 0 HZ3 LYS P 55 11.705 -9.827 2.690 1.00 0.00 H new ATOM 983 N TRP P 56 16.452 -3.451 0.517 1.00 0.00 N ATOM 984 CA TRP P 56 17.275 -2.905 -0.572 1.00 0.00 C ATOM 985 C TRP P 56 18.691 -2.513 -0.101 1.00 0.00 C ATOM 986 O TRP P 56 19.675 -2.796 -0.789 1.00 0.00 O ATOM 987 CB TRP P 56 16.536 -1.709 -1.192 1.00 0.00 C ATOM 988 CG TRP P 56 17.352 -0.845 -2.103 1.00 0.00 C ATOM 989 CD1 TRP P 56 17.666 -1.125 -3.388 1.00 0.00 C ATOM 990 CD2 TRP P 56 18.010 0.425 -1.799 1.00 0.00 C ATOM 991 NE1 TRP P 56 18.464 -0.120 -3.901 1.00 0.00 N ATOM 992 CE2 TRP P 56 18.713 0.860 -2.963 1.00 0.00 C ATOM 993 CE3 TRP P 56 18.095 1.248 -0.653 1.00 0.00 C ATOM 994 CZ2 TRP P 56 19.461 2.047 -2.990 1.00 0.00 C ATOM 995 CZ3 TRP P 56 18.845 2.440 -0.667 1.00 0.00 C ATOM 996 CH2 TRP P 56 19.527 2.841 -1.832 1.00 0.00 C ATOM 0 H TRP P 56 15.681 -2.840 0.786 1.00 0.00 H new ATOM 0 HA TRP P 56 17.419 -3.680 -1.325 1.00 0.00 H new ATOM 0 HB2 TRP P 56 15.678 -2.085 -1.749 1.00 0.00 H new ATOM 0 HB3 TRP P 56 16.146 -1.088 -0.385 1.00 0.00 H new ATOM 0 HD1 TRP P 56 17.342 -2.001 -3.931 1.00 0.00 H new ATOM 0 HE1 TRP P 56 18.824 -0.105 -4.855 1.00 0.00 H new ATOM 0 HE3 TRP P 56 17.576 0.958 0.249 1.00 0.00 H new ATOM 0 HZ2 TRP P 56 19.979 2.347 -3.889 1.00 0.00 H new ATOM 0 HZ3 TRP P 56 18.897 3.051 0.222 1.00 0.00 H new ATOM 0 HH2 TRP P 56 20.100 3.757 -1.836 1.00 0.00 H new ATOM 1007 N ARG P 57 18.806 -1.888 1.080 1.00 0.00 N ATOM 1008 CA ARG P 57 20.063 -1.345 1.628 1.00 0.00 C ATOM 1009 C ARG P 57 21.008 -2.409 2.208 1.00 0.00 C ATOM 1010 O ARG P 57 22.226 -2.278 2.063 1.00 0.00 O ATOM 1011 CB ARG P 57 19.706 -0.263 2.664 1.00 0.00 C ATOM 1012 CG ARG P 57 20.924 0.539 3.149 1.00 0.00 C ATOM 1013 CD ARG P 57 20.489 1.675 4.083 1.00 0.00 C ATOM 1014 NE ARG P 57 21.644 2.478 4.536 1.00 0.00 N ATOM 1015 CZ ARG P 57 22.408 2.266 5.594 1.00 0.00 C ATOM 1016 NH1 ARG P 57 22.221 1.260 6.403 1.00 0.00 N ATOM 1017 NH2 ARG P 57 23.395 3.072 5.864 1.00 0.00 N ATOM 0 H ARG P 57 18.008 -1.741 1.698 1.00 0.00 H new ATOM 0 HA ARG P 57 20.632 -0.911 0.805 1.00 0.00 H new ATOM 0 HB2 ARG P 57 18.979 0.422 2.228 1.00 0.00 H new ATOM 0 HB3 ARG P 57 19.225 -0.735 3.521 1.00 0.00 H new ATOM 0 HG2 ARG P 57 21.617 -0.122 3.670 1.00 0.00 H new ATOM 0 HG3 ARG P 57 21.459 0.950 2.293 1.00 0.00 H new ATOM 0 HD2 ARG P 57 19.777 2.319 3.567 1.00 0.00 H new ATOM 0 HD3 ARG P 57 19.973 1.258 4.948 1.00 0.00 H new ATOM 0 HE ARG P 57 21.879 3.291 3.966 1.00 0.00 H new ATOM 0 HH11 ARG P 57 21.462 0.601 6.230 1.00 0.00 H new ATOM 0 HH12 ARG P 57 22.834 1.133 7.208 1.00 0.00 H new ATOM 0 HH21 ARG P 57 23.581 3.871 5.258 1.00 0.00 H new ATOM 0 HH22 ARG P 57 23.982 2.904 6.681 1.00 0.00 H new ATOM 1031 N LYS P 58 20.477 -3.443 2.873 1.00 0.00 N ATOM 1032 CA LYS P 58 21.265 -4.463 3.599 1.00 0.00 C ATOM 1033 C LYS P 58 22.016 -5.444 2.679 1.00 0.00 C ATOM 1034 O LYS P 58 21.637 -5.655 1.526 1.00 0.00 O ATOM 1035 CB LYS P 58 20.382 -5.171 4.647 1.00 0.00 C ATOM 1036 CG LYS P 58 19.364 -6.161 4.053 1.00 0.00 C ATOM 1037 CD LYS P 58 18.289 -6.582 5.067 1.00 0.00 C ATOM 1038 CE LYS P 58 18.871 -7.291 6.300 1.00 0.00 C ATOM 1039 NZ LYS P 58 17.807 -7.684 7.263 1.00 0.00 N ATOM 0 H LYS P 58 19.471 -3.602 2.926 1.00 0.00 H new ATOM 0 HA LYS P 58 22.062 -3.939 4.126 1.00 0.00 H new ATOM 0 HB2 LYS P 58 21.026 -5.705 5.346 1.00 0.00 H new ATOM 0 HB3 LYS P 58 19.845 -4.417 5.222 1.00 0.00 H new ATOM 0 HG2 LYS P 58 18.883 -5.706 3.187 1.00 0.00 H new ATOM 0 HG3 LYS P 58 19.890 -7.047 3.697 1.00 0.00 H new ATOM 0 HD2 LYS P 58 17.736 -5.700 5.389 1.00 0.00 H new ATOM 0 HD3 LYS P 58 17.575 -7.244 4.577 1.00 0.00 H new ATOM 0 HE2 LYS P 58 19.421 -8.177 5.984 1.00 0.00 H new ATOM 0 HE3 LYS P 58 19.585 -6.633 6.795 1.00 0.00 H new ATOM 0 HZ1 LYS P 58 18.238 -8.159 8.081 1.00 0.00 H new ATOM 0 HZ2 LYS P 58 17.298 -6.835 7.584 1.00 0.00 H new ATOM 0 HZ3 LYS P 58 17.140 -8.332 6.798 1.00 0.00 H new ATOM 1053 N ARG P 59 23.068 -6.076 3.221 1.00 0.00 N ATOM 1054 CA ARG P 59 23.953 -7.037 2.515 1.00 0.00 C ATOM 1055 C ARG P 59 23.352 -8.433 2.269 1.00 0.00 C ATOM 1056 O ARG P 59 23.931 -9.232 1.533 1.00 0.00 O ATOM 1057 CB ARG P 59 25.318 -7.118 3.245 1.00 0.00 C ATOM 1058 CG ARG P 59 25.460 -8.197 4.342 1.00 0.00 C ATOM 1059 CD ARG P 59 24.485 -8.071 5.525 1.00 0.00 C ATOM 1060 NE ARG P 59 24.264 -9.376 6.173 1.00 0.00 N ATOM 1061 CZ ARG P 59 24.931 -9.944 7.156 1.00 0.00 C ATOM 1062 NH1 ARG P 59 25.940 -9.379 7.758 1.00 0.00 N ATOM 1063 NH2 ARG P 59 24.559 -11.129 7.533 1.00 0.00 N ATOM 0 H ARG P 59 23.342 -5.933 4.193 1.00 0.00 H new ATOM 0 HA ARG P 59 24.088 -6.638 1.510 1.00 0.00 H new ATOM 0 HB2 ARG P 59 26.093 -7.290 2.498 1.00 0.00 H new ATOM 0 HB3 ARG P 59 25.520 -6.147 3.696 1.00 0.00 H new ATOM 0 HG2 ARG P 59 25.323 -9.176 3.884 1.00 0.00 H new ATOM 0 HG3 ARG P 59 26.479 -8.166 4.728 1.00 0.00 H new ATOM 0 HD2 ARG P 59 24.881 -7.363 6.253 1.00 0.00 H new ATOM 0 HD3 ARG P 59 23.534 -7.670 5.175 1.00 0.00 H new ATOM 0 HE ARG P 59 23.481 -9.918 5.807 1.00 0.00 H new ATOM 0 HH11 ARG P 59 26.249 -8.450 7.472 1.00 0.00 H new ATOM 0 HH12 ARG P 59 26.420 -9.866 8.515 1.00 0.00 H new ATOM 0 HH21 ARG P 59 23.774 -11.588 7.071 1.00 0.00 H new ATOM 0 HH22 ARG P 59 25.052 -11.601 8.291 1.00 0.00 H new ATOM 1077 N GLU P 60 22.235 -8.746 2.926 1.00 0.00 N ATOM 1078 CA GLU P 60 21.635 -10.088 2.989 1.00 0.00 C ATOM 1079 C GLU P 60 21.049 -10.553 1.636 1.00 0.00 C ATOM 1080 O GLU P 60 20.683 -9.740 0.784 1.00 0.00 O ATOM 1081 CB GLU P 60 20.579 -10.086 4.113 1.00 0.00 C ATOM 1082 CG GLU P 60 20.239 -11.462 4.711 1.00 0.00 C ATOM 1083 CD GLU P 60 21.337 -12.050 5.627 1.00 0.00 C ATOM 1084 OE1 GLU P 60 22.450 -11.480 5.724 1.00 0.00 O ATOM 1085 OE2 GLU P 60 21.086 -13.097 6.272 1.00 0.00 O ATOM 0 H GLU P 60 21.701 -8.051 3.448 1.00 0.00 H new ATOM 0 HA GLU P 60 22.415 -10.816 3.214 1.00 0.00 H new ATOM 0 HB2 GLU P 60 20.931 -9.438 4.916 1.00 0.00 H new ATOM 0 HB3 GLU P 60 19.662 -9.643 3.724 1.00 0.00 H new ATOM 0 HG2 GLU P 60 19.314 -11.378 5.281 1.00 0.00 H new ATOM 0 HG3 GLU P 60 20.049 -12.161 3.897 1.00 0.00 H new ATOM 1092 N GLU P 61 20.951 -11.871 1.435 1.00 0.00 N ATOM 1093 CA GLU P 61 20.496 -12.520 0.193 1.00 0.00 C ATOM 1094 C GLU P 61 19.110 -13.187 0.322 1.00 0.00 C ATOM 1095 O GLU P 61 18.717 -13.632 1.403 1.00 0.00 O ATOM 1096 CB GLU P 61 21.572 -13.503 -0.309 1.00 0.00 C ATOM 1097 CG GLU P 61 21.920 -14.627 0.683 1.00 0.00 C ATOM 1098 CD GLU P 61 23.057 -15.519 0.147 1.00 0.00 C ATOM 1099 OE1 GLU P 61 24.234 -15.080 0.148 1.00 0.00 O ATOM 1100 OE2 GLU P 61 22.792 -16.677 -0.260 1.00 0.00 O ATOM 0 H GLU P 61 21.195 -12.545 2.160 1.00 0.00 H new ATOM 0 HA GLU P 61 20.361 -11.738 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU P 61 21.230 -13.951 -1.242 1.00 0.00 H new ATOM 0 HB3 GLU P 61 22.479 -12.944 -0.538 1.00 0.00 H new ATOM 0 HG2 GLU P 61 22.216 -14.193 1.638 1.00 0.00 H new ATOM 0 HG3 GLU P 61 21.035 -15.236 0.870 1.00 0.00 H new ATOM 1107 N PHE P 62 18.370 -13.263 -0.794 1.00 0.00 N ATOM 1108 CA PHE P 62 17.041 -13.896 -0.921 1.00 0.00 C ATOM 1109 C PHE P 62 15.956 -13.389 0.061 1.00 0.00 C ATOM 1110 O PHE P 62 14.995 -14.100 0.369 1.00 0.00 O ATOM 1111 CB PHE P 62 17.182 -15.430 -0.967 1.00 0.00 C ATOM 1112 CG PHE P 62 18.092 -15.937 -2.073 1.00 0.00 C ATOM 1113 CD1 PHE P 62 17.659 -15.900 -3.413 1.00 0.00 C ATOM 1114 CD2 PHE P 62 19.371 -16.440 -1.770 1.00 0.00 C ATOM 1115 CE1 PHE P 62 18.502 -16.357 -4.443 1.00 0.00 C ATOM 1116 CE2 PHE P 62 20.214 -16.897 -2.799 1.00 0.00 C ATOM 1117 CZ PHE P 62 19.780 -16.854 -4.136 1.00 0.00 C ATOM 0 H PHE P 62 18.694 -12.867 -1.677 1.00 0.00 H new ATOM 0 HA PHE P 62 16.638 -13.564 -1.878 1.00 0.00 H new ATOM 0 HB2 PHE P 62 17.566 -15.778 -0.008 1.00 0.00 H new ATOM 0 HB3 PHE P 62 16.193 -15.871 -1.094 1.00 0.00 H new ATOM 0 HD1 PHE P 62 16.677 -15.520 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE P 62 19.706 -16.475 -0.744 1.00 0.00 H new ATOM 0 HE1 PHE P 62 18.167 -16.326 -5.469 1.00 0.00 H new ATOM 0 HE2 PHE P 62 21.195 -17.281 -2.562 1.00 0.00 H new ATOM 0 HZ PHE P 62 20.428 -17.203 -4.926 1.00 0.00 H new ATOM 1127 N ILE P 63 16.074 -12.139 0.527 1.00 0.00 N ATOM 1128 CA ILE P 63 15.121 -11.482 1.447 1.00 0.00 C ATOM 1129 C ILE P 63 13.813 -11.007 0.782 1.00 0.00 C ATOM 1130 O ILE P 63 12.875 -10.619 1.484 1.00 0.00 O ATOM 1131 CB ILE P 63 15.798 -10.348 2.256 1.00 0.00 C ATOM 1132 CG1 ILE P 63 16.155 -9.070 1.460 1.00 0.00 C ATOM 1133 CG2 ILE P 63 17.013 -10.870 3.041 1.00 0.00 C ATOM 1134 CD1 ILE P 63 17.084 -9.216 0.248 1.00 0.00 C ATOM 0 H ILE P 63 16.855 -11.535 0.271 1.00 0.00 H new ATOM 0 HA ILE P 63 14.815 -12.263 2.143 1.00 0.00 H new ATOM 0 HB ILE P 63 15.025 -10.023 2.953 1.00 0.00 H new ATOM 0 HG12 ILE P 63 15.224 -8.619 1.116 1.00 0.00 H new ATOM 0 HG13 ILE P 63 16.615 -8.363 2.151 1.00 0.00 H new ATOM 0 HG21 ILE P 63 17.466 -10.050 3.598 1.00 0.00 H new ATOM 0 HG22 ILE P 63 16.691 -11.646 3.735 1.00 0.00 H new ATOM 0 HG23 ILE P 63 17.744 -11.284 2.347 1.00 0.00 H new ATOM 0 HD11 ILE P 63 17.243 -8.239 -0.208 1.00 0.00 H new ATOM 0 HD12 ILE P 63 18.041 -9.626 0.570 1.00 0.00 H new ATOM 0 HD13 ILE P 63 16.629 -9.887 -0.481 1.00 0.00 H new ATOM 1146 N VAL P 64 13.728 -11.052 -0.551 1.00 0.00 N ATOM 1147 CA VAL P 64 12.510 -10.816 -1.353 1.00 0.00 C ATOM 1148 C VAL P 64 12.330 -11.975 -2.344 1.00 0.00 C ATOM 1149 O VAL P 64 13.291 -12.393 -2.995 1.00 0.00 O ATOM 1150 CB VAL P 64 12.562 -9.459 -2.094 1.00 0.00 C ATOM 1151 CG1 VAL P 64 11.267 -9.181 -2.871 1.00 0.00 C ATOM 1152 CG2 VAL P 64 12.763 -8.281 -1.129 1.00 0.00 C ATOM 0 H VAL P 64 14.539 -11.263 -1.132 1.00 0.00 H new ATOM 0 HA VAL P 64 11.653 -10.773 -0.681 1.00 0.00 H new ATOM 0 HB VAL P 64 13.408 -9.539 -2.776 1.00 0.00 H new ATOM 0 HG11 VAL P 64 11.346 -8.219 -3.377 1.00 0.00 H new ATOM 0 HG12 VAL P 64 11.110 -9.967 -3.610 1.00 0.00 H new ATOM 0 HG13 VAL P 64 10.425 -9.160 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL P 64 12.793 -7.349 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL P 64 11.937 -8.248 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL P 64 13.701 -8.409 -0.589 1.00 0.00 H new ATOM 1162 N THR P 65 11.109 -12.502 -2.456 1.00 0.00 N ATOM 1163 CA THR P 65 10.773 -13.652 -3.319 1.00 0.00 C ATOM 1164 C THR P 65 10.743 -13.263 -4.805 1.00 0.00 C ATOM 1165 O THR P 65 10.204 -12.215 -5.169 1.00 0.00 O ATOM 1166 CB THR P 65 9.422 -14.265 -2.908 1.00 0.00 C ATOM 1167 OG1 THR P 65 9.398 -14.489 -1.510 1.00 0.00 O ATOM 1168 CG2 THR P 65 9.147 -15.615 -3.575 1.00 0.00 C ATOM 0 H THR P 65 10.306 -12.139 -1.942 1.00 0.00 H new ATOM 0 HA THR P 65 11.558 -14.396 -3.183 1.00 0.00 H new ATOM 0 HB THR P 65 8.663 -13.550 -3.225 1.00 0.00 H new ATOM 0 HG1 THR P 65 8.535 -14.877 -1.256 1.00 0.00 H new ATOM 0 HG21 THR P 65 8.180 -15.994 -3.244 1.00 0.00 H new ATOM 0 HG22 THR P 65 9.137 -15.490 -4.658 1.00 0.00 H new ATOM 0 HG23 THR P 65 9.928 -16.323 -3.299 1.00 0.00 H new ATOM 1176 N ASP P 66 11.292 -14.124 -5.672 1.00 0.00 N ATOM 1177 CA ASP P 66 11.324 -13.978 -7.141 1.00 0.00 C ATOM 1178 C ASP P 66 11.171 -15.329 -7.874 1.00 0.00 C ATOM 1179 O ASP P 66 10.368 -15.398 -8.831 1.00 0.00 O ATOM 1180 CB ASP P 66 12.627 -13.268 -7.561 1.00 0.00 C ATOM 1181 CG ASP P 66 12.735 -13.053 -9.087 1.00 0.00 C ATOM 1182 OD1 ASP P 66 12.031 -12.163 -9.629 1.00 0.00 O ATOM 1183 OD2 ASP P 66 13.551 -13.744 -9.748 1.00 0.00 O ATOM 1184 OXT ASP P 66 11.833 -16.316 -7.474 1.00 0.00 O ATOM 0 H ASP P 66 11.748 -14.981 -5.359 1.00 0.00 H new ATOM 0 HA ASP P 66 10.467 -13.371 -7.434 1.00 0.00 H new ATOM 0 HB2 ASP P 66 12.686 -12.302 -7.059 1.00 0.00 H new ATOM 0 HB3 ASP P 66 13.480 -13.856 -7.222 1.00 0.00 H new TER 1189 ASP P 66