USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=15 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 Set 1.1: P 4 GLN : amide:sc= 1.62 K(o=2.1,f=-6.9!) USER MOD Set 1.2: P 7 HIS : no HD1:sc= 0.51 K(o=2.1,f=-3.6!) USER MOD Single : P 0 SER OG : rot 180:sc= 0 USER MOD Single : P 1 GLN : amide:sc= 0.638 K(o=0.64,f=-3.8!) USER MOD Single : P 6 THR OG1 : rot 41:sc= 0.00581 USER MOD Single : P 9 THR OG1 : rot 180:sc= 0.387 USER MOD Single : P -1 GLY N :NH3+ -128:sc= 0.0804 (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) USER MOD Single : P 12 GLN : amide:sc= 1.37 K(o=1.4,f=-4.5!) USER MOD Single : P 14 GLN : amide:sc= 0.802 K(o=0.8,f=0) USER MOD Single : P 19 THR OG1 : rot 68:sc= 1.26 USER MOD Single : P 21 GLN : amide:sc= 0.664 K(o=0.66,f=0) USER MOD Single : P 23 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 28 MET CE :methyl -175:sc= 0 (180deg=-0.00847) USER MOD Single : P 29 SER OG : rot 180:sc= 0.00111 USER MOD Single : P 30 THR OG1 : rot 180:sc= 0 USER MOD Single : P 38 THR OG1 : rot -76:sc= 1.21 USER MOD Single : P 39 ASN : amide:sc= -0.0131 X(o=-0.013,f=-0.013) USER MOD Single : P 41 THR OG1 : rot -140:sc= 0.426 USER MOD Single : P 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 51 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : P 55 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.11) USER MOD Single : P 58 LYS NZ :NH3+ 166:sc= 1.04 (180deg=0.904) USER MOD Single : P 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY P -1 5.122 -13.643 30.843 1.00 0.00 N ATOM 2 CA GLY P -1 4.215 -14.468 30.016 1.00 0.00 C ATOM 3 C GLY P -1 4.429 -14.233 28.526 1.00 0.00 C ATOM 4 O GLY P -1 5.457 -13.688 28.113 1.00 0.00 O ATOM 0 H1 GLY P -1 5.620 -14.251 31.524 1.00 0.00 H new ATOM 0 H2 GLY P -1 5.815 -13.169 30.230 1.00 0.00 H new ATOM 0 H3 GLY P -1 4.569 -12.928 31.358 1.00 0.00 H new ATOM 0 HA2 GLY P -1 4.375 -15.522 30.243 1.00 0.00 H new ATOM 0 HA3 GLY P -1 3.181 -14.240 30.274 1.00 0.00 H new ATOM 10 N SER P 0 3.464 -14.651 27.702 1.00 0.00 N ATOM 11 CA SER P 0 3.512 -14.537 26.231 1.00 0.00 C ATOM 12 C SER P 0 3.477 -13.082 25.736 1.00 0.00 C ATOM 13 O SER P 0 2.859 -12.212 26.358 1.00 0.00 O ATOM 14 CB SER P 0 2.348 -15.313 25.599 1.00 0.00 C ATOM 15 OG SER P 0 2.371 -16.672 26.014 1.00 0.00 O ATOM 0 H SER P 0 2.607 -15.088 28.040 1.00 0.00 H new ATOM 0 HA SER P 0 4.466 -14.964 25.923 1.00 0.00 H new ATOM 0 HB2 SER P 0 1.401 -14.856 25.885 1.00 0.00 H new ATOM 0 HB3 SER P 0 2.414 -15.257 24.512 1.00 0.00 H new ATOM 0 HG SER P 0 1.622 -17.152 25.604 1.00 0.00 H new ATOM 21 N GLN P 1 4.112 -12.816 24.589 1.00 0.00 N ATOM 22 CA GLN P 1 4.128 -11.492 23.951 1.00 0.00 C ATOM 23 C GLN P 1 2.752 -11.101 23.375 1.00 0.00 C ATOM 24 O GLN P 1 1.945 -11.959 23.003 1.00 0.00 O ATOM 25 CB GLN P 1 5.199 -11.438 22.844 1.00 0.00 C ATOM 26 CG GLN P 1 6.638 -11.594 23.370 1.00 0.00 C ATOM 27 CD GLN P 1 7.708 -11.423 22.287 1.00 0.00 C ATOM 28 OE1 GLN P 1 7.448 -11.170 21.115 1.00 0.00 O ATOM 29 NE2 GLN P 1 8.971 -11.553 22.635 1.00 0.00 N ATOM 0 H GLN P 1 4.636 -13.521 24.071 1.00 0.00 H new ATOM 0 HA GLN P 1 4.374 -10.769 24.728 1.00 0.00 H new ATOM 0 HB2 GLN P 1 4.999 -12.226 22.118 1.00 0.00 H new ATOM 0 HB3 GLN P 1 5.115 -10.489 22.315 1.00 0.00 H new ATOM 0 HG2 GLN P 1 6.810 -10.860 24.158 1.00 0.00 H new ATOM 0 HG3 GLN P 1 6.746 -12.579 23.823 1.00 0.00 H new ATOM 0 HE21 GLN P 1 9.214 -11.763 23.603 1.00 0.00 H new ATOM 0 HE22 GLN P 1 9.706 -11.443 21.937 1.00 0.00 H new ATOM 38 N ARG P 2 2.505 -9.789 23.243 1.00 0.00 N ATOM 39 CA ARG P 2 1.349 -9.194 22.530 1.00 0.00 C ATOM 40 C ARG P 2 1.762 -8.515 21.207 1.00 0.00 C ATOM 41 O ARG P 2 1.096 -7.596 20.723 1.00 0.00 O ATOM 42 CB ARG P 2 0.547 -8.264 23.466 1.00 0.00 C ATOM 43 CG ARG P 2 0.181 -8.834 24.853 1.00 0.00 C ATOM 44 CD ARG P 2 -0.451 -10.235 24.872 1.00 0.00 C ATOM 45 NE ARG P 2 -1.640 -10.343 24.002 1.00 0.00 N ATOM 46 CZ ARG P 2 -1.856 -11.222 23.035 1.00 0.00 C ATOM 47 NH1 ARG P 2 -0.962 -12.087 22.644 1.00 0.00 N ATOM 48 NH2 ARG P 2 -3.005 -11.241 22.422 1.00 0.00 N ATOM 0 H ARG P 2 3.123 -9.082 23.642 1.00 0.00 H new ATOM 0 HA ARG P 2 0.681 -10.005 22.239 1.00 0.00 H new ATOM 0 HB2 ARG P 2 1.122 -7.350 23.614 1.00 0.00 H new ATOM 0 HB3 ARG P 2 -0.376 -7.982 22.959 1.00 0.00 H new ATOM 0 HG2 ARG P 2 1.085 -8.859 25.461 1.00 0.00 H new ATOM 0 HG3 ARG P 2 -0.509 -8.142 25.336 1.00 0.00 H new ATOM 0 HD2 ARG P 2 0.292 -10.967 24.555 1.00 0.00 H new ATOM 0 HD3 ARG P 2 -0.732 -10.487 25.895 1.00 0.00 H new ATOM 0 HE ARG P 2 -2.381 -9.661 24.165 1.00 0.00 H new ATOM 0 HH11 ARG P 2 -0.044 -12.108 23.088 1.00 0.00 H new ATOM 0 HH12 ARG P 2 -1.181 -12.743 21.894 1.00 0.00 H new ATOM 0 HH21 ARG P 2 -3.735 -10.580 22.687 1.00 0.00 H new ATOM 0 HH22 ARG P 2 -3.174 -11.917 21.677 1.00 0.00 H new ATOM 62 N ARG P 3 2.898 -8.948 20.650 1.00 0.00 N ATOM 63 CA ARG P 3 3.586 -8.393 19.471 1.00 0.00 C ATOM 64 C ARG P 3 2.861 -8.726 18.155 1.00 0.00 C ATOM 65 O ARG P 3 2.204 -9.763 18.046 1.00 0.00 O ATOM 66 CB ARG P 3 5.024 -8.950 19.471 1.00 0.00 C ATOM 67 CG ARG P 3 6.021 -8.161 18.603 1.00 0.00 C ATOM 68 CD ARG P 3 7.228 -9.025 18.223 1.00 0.00 C ATOM 69 NE ARG P 3 6.844 -10.049 17.228 1.00 0.00 N ATOM 70 CZ ARG P 3 6.982 -11.359 17.307 1.00 0.00 C ATOM 71 NH1 ARG P 3 7.406 -11.971 18.377 1.00 0.00 N ATOM 72 NH2 ARG P 3 6.675 -12.094 16.278 1.00 0.00 N ATOM 0 H ARG P 3 3.398 -9.750 21.034 1.00 0.00 H new ATOM 0 HA ARG P 3 3.592 -7.305 19.534 1.00 0.00 H new ATOM 0 HB2 ARG P 3 5.392 -8.968 20.497 1.00 0.00 H new ATOM 0 HB3 ARG P 3 4.999 -9.983 19.123 1.00 0.00 H new ATOM 0 HG2 ARG P 3 5.522 -7.810 17.699 1.00 0.00 H new ATOM 0 HG3 ARG P 3 6.359 -7.277 19.144 1.00 0.00 H new ATOM 0 HD2 ARG P 3 8.019 -8.395 17.817 1.00 0.00 H new ATOM 0 HD3 ARG P 3 7.630 -9.508 19.113 1.00 0.00 H new ATOM 0 HE ARG P 3 6.418 -9.698 16.370 1.00 0.00 H new ATOM 0 HH11 ARG P 3 7.650 -11.434 19.209 1.00 0.00 H new ATOM 0 HH12 ARG P 3 7.494 -12.987 18.382 1.00 0.00 H new ATOM 0 HH21 ARG P 3 6.332 -11.656 15.423 1.00 0.00 H new ATOM 0 HH22 ARG P 3 6.777 -13.108 16.327 1.00 0.00 H new ATOM 86 N GLN P 4 3.036 -7.880 17.140 1.00 0.00 N ATOM 87 CA GLN P 4 2.607 -8.138 15.759 1.00 0.00 C ATOM 88 C GLN P 4 3.362 -9.331 15.130 1.00 0.00 C ATOM 89 O GLN P 4 4.551 -9.549 15.388 1.00 0.00 O ATOM 90 CB GLN P 4 2.771 -6.840 14.943 1.00 0.00 C ATOM 91 CG GLN P 4 2.311 -6.959 13.479 1.00 0.00 C ATOM 92 CD GLN P 4 2.270 -5.610 12.766 1.00 0.00 C ATOM 93 OE1 GLN P 4 1.212 -5.095 12.422 1.00 0.00 O ATOM 94 NE2 GLN P 4 3.398 -4.989 12.499 1.00 0.00 N ATOM 0 H GLN P 4 3.490 -6.974 17.254 1.00 0.00 H new ATOM 0 HA GLN P 4 1.557 -8.429 15.754 1.00 0.00 H new ATOM 0 HB2 GLN P 4 2.205 -6.044 15.427 1.00 0.00 H new ATOM 0 HB3 GLN P 4 3.819 -6.542 14.961 1.00 0.00 H new ATOM 0 HG2 GLN P 4 2.984 -7.629 12.944 1.00 0.00 H new ATOM 0 HG3 GLN P 4 1.320 -7.412 13.449 1.00 0.00 H new ATOM 0 HE21 GLN P 4 4.287 -5.404 12.778 1.00 0.00 H new ATOM 0 HE22 GLN P 4 3.384 -4.093 12.013 1.00 0.00 H new ATOM 103 N ARG P 5 2.662 -10.080 14.268 1.00 0.00 N ATOM 104 CA ARG P 5 3.176 -11.190 13.437 1.00 0.00 C ATOM 105 C ARG P 5 2.913 -10.920 11.948 1.00 0.00 C ATOM 106 O ARG P 5 2.120 -10.040 11.607 1.00 0.00 O ATOM 107 CB ARG P 5 2.534 -12.519 13.887 1.00 0.00 C ATOM 108 CG ARG P 5 2.858 -12.885 15.345 1.00 0.00 C ATOM 109 CD ARG P 5 2.251 -14.245 15.707 1.00 0.00 C ATOM 110 NE ARG P 5 2.527 -14.606 17.112 1.00 0.00 N ATOM 111 CZ ARG P 5 2.196 -15.736 17.713 1.00 0.00 C ATOM 112 NH1 ARG P 5 1.560 -16.692 17.096 1.00 0.00 N ATOM 113 NH2 ARG P 5 2.500 -15.930 18.965 1.00 0.00 N ATOM 0 H ARG P 5 1.665 -9.923 14.119 1.00 0.00 H new ATOM 0 HA ARG P 5 4.255 -11.265 13.571 1.00 0.00 H new ATOM 0 HB2 ARG P 5 1.453 -12.451 13.768 1.00 0.00 H new ATOM 0 HB3 ARG P 5 2.877 -13.321 13.233 1.00 0.00 H new ATOM 0 HG2 ARG P 5 3.938 -12.913 15.487 1.00 0.00 H new ATOM 0 HG3 ARG P 5 2.469 -12.117 16.014 1.00 0.00 H new ATOM 0 HD2 ARG P 5 1.174 -14.219 15.542 1.00 0.00 H new ATOM 0 HD3 ARG P 5 2.656 -15.012 15.047 1.00 0.00 H new ATOM 0 HE ARG P 5 3.022 -13.915 17.675 1.00 0.00 H new ATOM 0 HH11 ARG P 5 1.301 -16.582 16.116 1.00 0.00 H new ATOM 0 HH12 ARG P 5 1.322 -17.550 17.594 1.00 0.00 H new ATOM 0 HH21 ARG P 5 2.996 -15.208 19.487 1.00 0.00 H new ATOM 0 HH22 ARG P 5 2.242 -16.804 19.423 1.00 0.00 H new ATOM 127 N THR P 6 3.560 -11.671 11.057 1.00 0.00 N ATOM 128 CA THR P 6 3.388 -11.545 9.595 1.00 0.00 C ATOM 129 C THR P 6 1.967 -11.923 9.155 1.00 0.00 C ATOM 130 O THR P 6 1.505 -13.040 9.399 1.00 0.00 O ATOM 131 CB THR P 6 4.425 -12.389 8.829 1.00 0.00 C ATOM 132 OG1 THR P 6 4.534 -13.695 9.365 1.00 0.00 O ATOM 133 CG2 THR P 6 5.816 -11.758 8.903 1.00 0.00 C ATOM 0 H THR P 6 4.227 -12.394 11.325 1.00 0.00 H new ATOM 0 HA THR P 6 3.551 -10.496 9.349 1.00 0.00 H new ATOM 0 HB THR P 6 4.075 -12.431 7.798 1.00 0.00 H new ATOM 0 HG1 THR P 6 3.642 -14.029 9.597 1.00 0.00 H new ATOM 0 HG21 THR P 6 6.526 -12.376 8.353 1.00 0.00 H new ATOM 0 HG22 THR P 6 5.787 -10.761 8.464 1.00 0.00 H new ATOM 0 HG23 THR P 6 6.128 -11.686 9.945 1.00 0.00 H new ATOM 141 N HIS P 7 1.269 -10.984 8.506 1.00 0.00 N ATOM 142 CA HIS P 7 -0.170 -11.066 8.192 1.00 0.00 C ATOM 143 C HIS P 7 -0.568 -10.543 6.797 1.00 0.00 C ATOM 144 O HIS P 7 -1.714 -10.740 6.383 1.00 0.00 O ATOM 145 CB HIS P 7 -0.945 -10.322 9.296 1.00 0.00 C ATOM 146 CG HIS P 7 -0.482 -8.905 9.561 1.00 0.00 C ATOM 147 ND1 HIS P 7 0.229 -8.088 8.674 1.00 0.00 N ATOM 148 CD2 HIS P 7 -0.614 -8.246 10.748 1.00 0.00 C ATOM 149 CE1 HIS P 7 0.518 -6.966 9.350 1.00 0.00 C ATOM 150 NE2 HIS P 7 0.018 -7.032 10.596 1.00 0.00 N ATOM 0 H HIS P 7 1.698 -10.120 8.174 1.00 0.00 H new ATOM 0 HA HIS P 7 -0.428 -12.124 8.162 1.00 0.00 H new ATOM 0 HB2 HIS P 7 -2.000 -10.298 9.025 1.00 0.00 H new ATOM 0 HB3 HIS P 7 -0.866 -10.893 10.221 1.00 0.00 H new ATOM 0 HD2 HIS P 7 -1.116 -8.606 11.634 1.00 0.00 H new ATOM 0 HE1 HIS P 7 1.073 -6.130 8.951 1.00 0.00 H new ATOM 0 HE2 HIS P 7 0.094 -6.306 11.308 1.00 0.00 H new ATOM 158 N PHE P 8 0.348 -9.916 6.047 1.00 0.00 N ATOM 159 CA PHE P 8 0.091 -9.425 4.687 1.00 0.00 C ATOM 160 C PHE P 8 -0.207 -10.583 3.718 1.00 0.00 C ATOM 161 O PHE P 8 0.464 -11.621 3.759 1.00 0.00 O ATOM 162 CB PHE P 8 1.293 -8.617 4.171 1.00 0.00 C ATOM 163 CG PHE P 8 1.704 -7.422 5.012 1.00 0.00 C ATOM 164 CD1 PHE P 8 1.008 -6.204 4.892 1.00 0.00 C ATOM 165 CD2 PHE P 8 2.812 -7.506 5.879 1.00 0.00 C ATOM 166 CE1 PHE P 8 1.416 -5.079 5.631 1.00 0.00 C ATOM 167 CE2 PHE P 8 3.217 -6.382 6.622 1.00 0.00 C ATOM 168 CZ PHE P 8 2.521 -5.167 6.495 1.00 0.00 C ATOM 0 H PHE P 8 1.298 -9.734 6.371 1.00 0.00 H new ATOM 0 HA PHE P 8 -0.786 -8.780 4.732 1.00 0.00 H new ATOM 0 HB2 PHE P 8 2.148 -9.288 4.088 1.00 0.00 H new ATOM 0 HB3 PHE P 8 1.064 -8.266 3.165 1.00 0.00 H new ATOM 0 HD1 PHE P 8 0.158 -6.133 4.230 1.00 0.00 H new ATOM 0 HD2 PHE P 8 3.352 -8.436 5.973 1.00 0.00 H new ATOM 0 HE1 PHE P 8 0.880 -4.147 5.534 1.00 0.00 H new ATOM 0 HE2 PHE P 8 4.063 -6.452 7.290 1.00 0.00 H new ATOM 0 HZ PHE P 8 2.835 -4.302 7.061 1.00 0.00 H new ATOM 178 N THR P 9 -1.180 -10.411 2.819 1.00 0.00 N ATOM 179 CA THR P 9 -1.494 -11.405 1.775 1.00 0.00 C ATOM 180 C THR P 9 -0.507 -11.333 0.605 1.00 0.00 C ATOM 181 O THR P 9 0.150 -10.312 0.379 1.00 0.00 O ATOM 182 CB THR P 9 -2.936 -11.290 1.249 1.00 0.00 C ATOM 183 OG1 THR P 9 -3.094 -10.140 0.449 1.00 0.00 O ATOM 184 CG2 THR P 9 -3.984 -11.248 2.360 1.00 0.00 C ATOM 0 H THR P 9 -1.774 -9.582 2.790 1.00 0.00 H new ATOM 0 HA THR P 9 -1.396 -12.376 2.260 1.00 0.00 H new ATOM 0 HB THR P 9 -3.099 -12.193 0.660 1.00 0.00 H new ATOM 0 HG1 THR P 9 -4.018 -10.091 0.126 1.00 0.00 H new ATOM 0 HG21 THR P 9 -4.978 -11.167 1.920 1.00 0.00 H new ATOM 0 HG22 THR P 9 -3.923 -12.161 2.952 1.00 0.00 H new ATOM 0 HG23 THR P 9 -3.800 -10.386 3.002 1.00 0.00 H new ATOM 192 N SER P 10 -0.436 -12.398 -0.198 1.00 0.00 N ATOM 193 CA SER P 10 0.335 -12.411 -1.450 1.00 0.00 C ATOM 194 C SER P 10 -0.147 -11.353 -2.454 1.00 0.00 C ATOM 195 O SER P 10 0.658 -10.830 -3.223 1.00 0.00 O ATOM 196 CB SER P 10 0.268 -13.807 -2.083 1.00 0.00 C ATOM 197 OG SER P 10 -1.082 -14.197 -2.290 1.00 0.00 O ATOM 0 H SER P 10 -0.911 -13.279 -0.000 1.00 0.00 H new ATOM 0 HA SER P 10 1.366 -12.163 -1.199 1.00 0.00 H new ATOM 0 HB2 SER P 10 0.802 -13.808 -3.033 1.00 0.00 H new ATOM 0 HB3 SER P 10 0.766 -14.530 -1.437 1.00 0.00 H new ATOM 0 HG SER P 10 -1.106 -15.089 -2.696 1.00 0.00 H new ATOM 203 N GLN P 11 -1.432 -10.984 -2.426 1.00 0.00 N ATOM 204 CA GLN P 11 -1.993 -9.911 -3.257 1.00 0.00 C ATOM 205 C GLN P 11 -1.557 -8.524 -2.759 1.00 0.00 C ATOM 206 O GLN P 11 -1.123 -7.695 -3.560 1.00 0.00 O ATOM 207 CB GLN P 11 -3.525 -10.028 -3.306 1.00 0.00 C ATOM 208 CG GLN P 11 -3.995 -11.325 -3.986 1.00 0.00 C ATOM 209 CD GLN P 11 -5.519 -11.407 -4.062 1.00 0.00 C ATOM 210 OE1 GLN P 11 -6.180 -12.040 -3.249 1.00 0.00 O ATOM 211 NE2 GLN P 11 -6.144 -10.764 -5.030 1.00 0.00 N ATOM 0 H GLN P 11 -2.121 -11.427 -1.818 1.00 0.00 H new ATOM 0 HA GLN P 11 -1.603 -10.024 -4.269 1.00 0.00 H new ATOM 0 HB2 GLN P 11 -3.922 -9.989 -2.292 1.00 0.00 H new ATOM 0 HB3 GLN P 11 -3.935 -9.172 -3.842 1.00 0.00 H new ATOM 0 HG2 GLN P 11 -3.578 -11.380 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN P 11 -3.612 -12.184 -3.435 1.00 0.00 H new ATOM 0 HE21 GLN P 11 -5.610 -10.231 -5.716 1.00 0.00 H new ATOM 0 HE22 GLN P 11 -7.162 -10.800 -5.092 1.00 0.00 H new ATOM 220 N GLN P 12 -1.596 -8.280 -1.443 1.00 0.00 N ATOM 221 CA GLN P 12 -1.140 -7.023 -0.830 1.00 0.00 C ATOM 222 C GLN P 12 0.360 -6.786 -1.061 1.00 0.00 C ATOM 223 O GLN P 12 0.761 -5.690 -1.455 1.00 0.00 O ATOM 224 CB GLN P 12 -1.445 -7.052 0.676 1.00 0.00 C ATOM 225 CG GLN P 12 -2.943 -6.883 0.974 1.00 0.00 C ATOM 226 CD GLN P 12 -3.301 -7.144 2.437 1.00 0.00 C ATOM 227 OE1 GLN P 12 -2.628 -7.862 3.167 1.00 0.00 O ATOM 228 NE2 GLN P 12 -4.381 -6.574 2.926 1.00 0.00 N ATOM 0 H GLN P 12 -1.949 -8.956 -0.765 1.00 0.00 H new ATOM 0 HA GLN P 12 -1.676 -6.200 -1.303 1.00 0.00 H new ATOM 0 HB2 GLN P 12 -1.098 -7.996 1.096 1.00 0.00 H new ATOM 0 HB3 GLN P 12 -0.887 -6.258 1.172 1.00 0.00 H new ATOM 0 HG2 GLN P 12 -3.248 -5.871 0.708 1.00 0.00 H new ATOM 0 HG3 GLN P 12 -3.512 -7.564 0.341 1.00 0.00 H new ATOM 0 HE21 GLN P 12 -4.953 -5.973 2.333 1.00 0.00 H new ATOM 0 HE22 GLN P 12 -4.646 -6.733 3.898 1.00 0.00 H new ATOM 237 N LEU P 13 1.188 -7.822 -0.879 1.00 0.00 N ATOM 238 CA LEU P 13 2.638 -7.743 -1.092 1.00 0.00 C ATOM 239 C LEU P 13 2.996 -7.494 -2.565 1.00 0.00 C ATOM 240 O LEU P 13 3.875 -6.680 -2.846 1.00 0.00 O ATOM 241 CB LEU P 13 3.304 -9.027 -0.563 1.00 0.00 C ATOM 242 CG LEU P 13 3.273 -9.171 0.972 1.00 0.00 C ATOM 243 CD1 LEU P 13 3.779 -10.558 1.371 1.00 0.00 C ATOM 244 CD2 LEU P 13 4.142 -8.124 1.675 1.00 0.00 C ATOM 0 H LEU P 13 0.869 -8.743 -0.578 1.00 0.00 H new ATOM 0 HA LEU P 13 3.019 -6.886 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU P 13 2.807 -9.890 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU P 13 4.341 -9.049 -0.898 1.00 0.00 H new ATOM 0 HG LEU P 13 2.238 -9.025 1.282 1.00 0.00 H new ATOM 0 HD11 LEU P 13 3.755 -10.656 2.456 1.00 0.00 H new ATOM 0 HD12 LEU P 13 3.141 -11.320 0.924 1.00 0.00 H new ATOM 0 HD13 LEU P 13 4.802 -10.688 1.017 1.00 0.00 H new ATOM 0 HD21 LEU P 13 4.085 -8.269 2.754 1.00 0.00 H new ATOM 0 HD22 LEU P 13 5.176 -8.231 1.348 1.00 0.00 H new ATOM 0 HD23 LEU P 13 3.784 -7.126 1.424 1.00 0.00 H new ATOM 256 N GLN P 14 2.295 -8.125 -3.514 1.00 0.00 N ATOM 257 CA GLN P 14 2.520 -7.896 -4.948 1.00 0.00 C ATOM 258 C GLN P 14 2.002 -6.534 -5.424 1.00 0.00 C ATOM 259 O GLN P 14 2.631 -5.917 -6.284 1.00 0.00 O ATOM 260 CB GLN P 14 1.915 -9.039 -5.773 1.00 0.00 C ATOM 261 CG GLN P 14 2.784 -10.297 -5.638 1.00 0.00 C ATOM 262 CD GLN P 14 2.164 -11.494 -6.351 1.00 0.00 C ATOM 263 OE1 GLN P 14 2.565 -11.895 -7.437 1.00 0.00 O ATOM 264 NE2 GLN P 14 1.154 -12.104 -5.769 1.00 0.00 N ATOM 0 H GLN P 14 1.561 -8.804 -3.313 1.00 0.00 H new ATOM 0 HA GLN P 14 3.599 -7.881 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN P 14 0.901 -9.248 -5.432 1.00 0.00 H new ATOM 0 HB3 GLN P 14 1.845 -8.746 -6.820 1.00 0.00 H new ATOM 0 HG2 GLN P 14 3.774 -10.101 -6.051 1.00 0.00 H new ATOM 0 HG3 GLN P 14 2.920 -10.533 -4.583 1.00 0.00 H new ATOM 0 HE21 GLN P 14 0.813 -11.777 -4.865 1.00 0.00 H new ATOM 0 HE22 GLN P 14 0.712 -12.904 -6.222 1.00 0.00 H new ATOM 273 N GLU P 15 0.920 -6.010 -4.842 1.00 0.00 N ATOM 274 CA GLU P 15 0.465 -4.640 -5.112 1.00 0.00 C ATOM 275 C GLU P 15 1.483 -3.601 -4.605 1.00 0.00 C ATOM 276 O GLU P 15 1.714 -2.592 -5.269 1.00 0.00 O ATOM 277 CB GLU P 15 -0.923 -4.425 -4.484 1.00 0.00 C ATOM 278 CG GLU P 15 -1.643 -3.165 -4.988 1.00 0.00 C ATOM 279 CD GLU P 15 -2.107 -3.315 -6.451 1.00 0.00 C ATOM 280 OE1 GLU P 15 -3.210 -3.866 -6.687 1.00 0.00 O ATOM 281 OE2 GLU P 15 -1.380 -2.882 -7.377 1.00 0.00 O ATOM 0 H GLU P 15 0.338 -6.517 -4.175 1.00 0.00 H new ATOM 0 HA GLU P 15 0.385 -4.501 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU P 15 -1.545 -5.296 -4.693 1.00 0.00 H new ATOM 0 HB3 GLU P 15 -0.816 -4.362 -3.401 1.00 0.00 H new ATOM 0 HG2 GLU P 15 -2.505 -2.961 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU P 15 -0.975 -2.307 -4.905 1.00 0.00 H new ATOM 288 N LEU P 16 2.157 -3.863 -3.478 1.00 0.00 N ATOM 289 CA LEU P 16 3.207 -2.987 -2.935 1.00 0.00 C ATOM 290 C LEU P 16 4.528 -3.097 -3.722 1.00 0.00 C ATOM 291 O LEU P 16 5.168 -2.083 -3.998 1.00 0.00 O ATOM 292 CB LEU P 16 3.385 -3.286 -1.436 1.00 0.00 C ATOM 293 CG LEU P 16 2.324 -2.586 -0.563 1.00 0.00 C ATOM 294 CD1 LEU P 16 2.188 -3.290 0.788 1.00 0.00 C ATOM 295 CD2 LEU P 16 2.695 -1.126 -0.292 1.00 0.00 C ATOM 0 H LEU P 16 1.989 -4.695 -2.912 1.00 0.00 H new ATOM 0 HA LEU P 16 2.895 -1.949 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU P 16 3.330 -4.363 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU P 16 4.378 -2.966 -1.121 1.00 0.00 H new ATOM 0 HG LEU P 16 1.385 -2.630 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU P 16 1.435 -2.781 1.389 1.00 0.00 H new ATOM 0 HD12 LEU P 16 1.887 -4.326 0.630 1.00 0.00 H new ATOM 0 HD13 LEU P 16 3.145 -3.266 1.309 1.00 0.00 H new ATOM 0 HD21 LEU P 16 1.925 -0.664 0.326 1.00 0.00 H new ATOM 0 HD22 LEU P 16 3.652 -1.084 0.229 1.00 0.00 H new ATOM 0 HD23 LEU P 16 2.773 -0.589 -1.237 1.00 0.00 H new ATOM 307 N GLU P 17 4.894 -4.300 -4.171 1.00 0.00 N ATOM 308 CA GLU P 17 6.010 -4.539 -5.100 1.00 0.00 C ATOM 309 C GLU P 17 5.791 -3.832 -6.452 1.00 0.00 C ATOM 310 O GLU P 17 6.717 -3.220 -6.991 1.00 0.00 O ATOM 311 CB GLU P 17 6.164 -6.062 -5.281 1.00 0.00 C ATOM 312 CG GLU P 17 7.332 -6.506 -6.171 1.00 0.00 C ATOM 313 CD GLU P 17 8.694 -6.098 -5.588 1.00 0.00 C ATOM 314 OE1 GLU P 17 9.081 -6.606 -4.510 1.00 0.00 O ATOM 315 OE2 GLU P 17 9.385 -5.237 -6.176 1.00 0.00 O ATOM 0 H GLU P 17 4.414 -5.157 -3.895 1.00 0.00 H new ATOM 0 HA GLU P 17 6.926 -4.119 -4.684 1.00 0.00 H new ATOM 0 HB2 GLU P 17 6.286 -6.517 -4.298 1.00 0.00 H new ATOM 0 HB3 GLU P 17 5.239 -6.456 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU P 17 7.301 -7.589 -6.295 1.00 0.00 H new ATOM 0 HG3 GLU P 17 7.218 -6.069 -7.163 1.00 0.00 H new ATOM 322 N ALA P 18 4.562 -3.856 -6.980 1.00 0.00 N ATOM 323 CA ALA P 18 4.173 -3.116 -8.181 1.00 0.00 C ATOM 324 C ALA P 18 4.163 -1.594 -7.944 1.00 0.00 C ATOM 325 O ALA P 18 4.666 -0.838 -8.774 1.00 0.00 O ATOM 326 CB ALA P 18 2.809 -3.628 -8.656 1.00 0.00 C ATOM 0 H ALA P 18 3.799 -4.400 -6.577 1.00 0.00 H new ATOM 0 HA ALA P 18 4.914 -3.290 -8.961 1.00 0.00 H new ATOM 0 HB1 ALA P 18 2.508 -3.084 -9.551 1.00 0.00 H new ATOM 0 HB2 ALA P 18 2.879 -4.692 -8.884 1.00 0.00 H new ATOM 0 HB3 ALA P 18 2.069 -3.473 -7.871 1.00 0.00 H new ATOM 332 N THR P 19 3.661 -1.137 -6.791 1.00 0.00 N ATOM 333 CA THR P 19 3.640 0.283 -6.395 1.00 0.00 C ATOM 334 C THR P 19 5.052 0.872 -6.355 1.00 0.00 C ATOM 335 O THR P 19 5.293 1.915 -6.962 1.00 0.00 O ATOM 336 CB THR P 19 2.944 0.450 -5.030 1.00 0.00 C ATOM 337 OG1 THR P 19 1.580 0.109 -5.139 1.00 0.00 O ATOM 338 CG2 THR P 19 2.965 1.869 -4.468 1.00 0.00 C ATOM 0 H THR P 19 3.249 -1.753 -6.090 1.00 0.00 H new ATOM 0 HA THR P 19 3.073 0.832 -7.147 1.00 0.00 H new ATOM 0 HB THR P 19 3.508 -0.201 -4.362 1.00 0.00 H new ATOM 0 HG1 THR P 19 1.496 -0.852 -5.309 1.00 0.00 H new ATOM 0 HG21 THR P 19 2.452 1.887 -3.506 1.00 0.00 H new ATOM 0 HG22 THR P 19 3.997 2.192 -4.335 1.00 0.00 H new ATOM 0 HG23 THR P 19 2.461 2.542 -5.161 1.00 0.00 H new ATOM 346 N PHE P 20 6.005 0.184 -5.712 1.00 0.00 N ATOM 347 CA PHE P 20 7.392 0.644 -5.570 1.00 0.00 C ATOM 348 C PHE P 20 8.111 0.818 -6.922 1.00 0.00 C ATOM 349 O PHE P 20 8.842 1.792 -7.111 1.00 0.00 O ATOM 350 CB PHE P 20 8.144 -0.351 -4.672 1.00 0.00 C ATOM 351 CG PHE P 20 9.593 0.017 -4.403 1.00 0.00 C ATOM 352 CD1 PHE P 20 10.608 -0.408 -5.285 1.00 0.00 C ATOM 353 CD2 PHE P 20 9.932 0.786 -3.274 1.00 0.00 C ATOM 354 CE1 PHE P 20 11.952 -0.085 -5.025 1.00 0.00 C ATOM 355 CE2 PHE P 20 11.276 1.116 -3.020 1.00 0.00 C ATOM 356 CZ PHE P 20 12.288 0.674 -3.890 1.00 0.00 C ATOM 0 H PHE P 20 5.832 -0.719 -5.270 1.00 0.00 H new ATOM 0 HA PHE P 20 7.379 1.634 -5.115 1.00 0.00 H new ATOM 0 HB2 PHE P 20 7.619 -0.431 -3.720 1.00 0.00 H new ATOM 0 HB3 PHE P 20 8.112 -1.337 -5.137 1.00 0.00 H new ATOM 0 HD1 PHE P 20 10.353 -0.983 -6.163 1.00 0.00 H new ATOM 0 HD2 PHE P 20 9.158 1.124 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE P 20 12.727 -0.420 -5.698 1.00 0.00 H new ATOM 0 HE2 PHE P 20 11.531 1.710 -2.155 1.00 0.00 H new ATOM 0 HZ PHE P 20 13.321 0.917 -3.687 1.00 0.00 H new ATOM 366 N GLN P 21 7.901 -0.098 -7.878 1.00 0.00 N ATOM 367 CA GLN P 21 8.550 -0.034 -9.198 1.00 0.00 C ATOM 368 C GLN P 21 7.817 0.875 -10.206 1.00 0.00 C ATOM 369 O GLN P 21 8.459 1.449 -11.088 1.00 0.00 O ATOM 370 CB GLN P 21 8.803 -1.453 -9.736 1.00 0.00 C ATOM 371 CG GLN P 21 7.535 -2.195 -10.183 1.00 0.00 C ATOM 372 CD GLN P 21 7.810 -3.674 -10.430 1.00 0.00 C ATOM 373 OE1 GLN P 21 8.036 -4.122 -11.547 1.00 0.00 O ATOM 374 NE2 GLN P 21 7.813 -4.485 -9.395 1.00 0.00 N ATOM 0 H GLN P 21 7.281 -0.899 -7.761 1.00 0.00 H new ATOM 0 HA GLN P 21 9.517 0.450 -9.061 1.00 0.00 H new ATOM 0 HB2 GLN P 21 9.490 -1.392 -10.580 1.00 0.00 H new ATOM 0 HB3 GLN P 21 9.299 -2.039 -8.962 1.00 0.00 H new ATOM 0 HG2 GLN P 21 6.763 -2.090 -9.421 1.00 0.00 H new ATOM 0 HG3 GLN P 21 7.148 -1.739 -11.094 1.00 0.00 H new ATOM 0 HE21 GLN P 21 7.626 -4.120 -8.461 1.00 0.00 H new ATOM 0 HE22 GLN P 21 8.003 -5.479 -9.526 1.00 0.00 H new ATOM 383 N ARG P 22 6.493 1.056 -10.062 1.00 0.00 N ATOM 384 CA ARG P 22 5.689 2.000 -10.864 1.00 0.00 C ATOM 385 C ARG P 22 5.930 3.456 -10.448 1.00 0.00 C ATOM 386 O ARG P 22 5.948 4.335 -11.312 1.00 0.00 O ATOM 387 CB ARG P 22 4.203 1.602 -10.761 1.00 0.00 C ATOM 388 CG ARG P 22 3.198 2.447 -11.569 1.00 0.00 C ATOM 389 CD ARG P 22 3.397 2.416 -13.094 1.00 0.00 C ATOM 390 NE ARG P 22 4.470 3.327 -13.536 1.00 0.00 N ATOM 391 CZ ARG P 22 4.907 3.514 -14.767 1.00 0.00 C ATOM 392 NH1 ARG P 22 4.398 2.886 -15.790 1.00 0.00 N ATOM 393 NH2 ARG P 22 5.880 4.349 -14.988 1.00 0.00 N ATOM 0 H ARG P 22 5.941 0.543 -9.375 1.00 0.00 H new ATOM 0 HA ARG P 22 5.999 1.938 -11.907 1.00 0.00 H new ATOM 0 HB2 ARG P 22 4.107 0.564 -11.079 1.00 0.00 H new ATOM 0 HB3 ARG P 22 3.913 1.642 -9.711 1.00 0.00 H new ATOM 0 HG2 ARG P 22 2.190 2.099 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG P 22 3.262 3.481 -11.231 1.00 0.00 H new ATOM 0 HD2 ARG P 22 3.635 1.399 -13.407 1.00 0.00 H new ATOM 0 HD3 ARG P 22 2.464 2.691 -13.586 1.00 0.00 H new ATOM 0 HE ARG P 22 4.926 3.875 -12.807 1.00 0.00 H new ATOM 0 HH11 ARG P 22 3.635 2.223 -15.653 1.00 0.00 H new ATOM 0 HH12 ARG P 22 4.763 3.057 -16.727 1.00 0.00 H new ATOM 0 HH21 ARG P 22 6.303 4.857 -14.211 1.00 0.00 H new ATOM 0 HH22 ARG P 22 6.220 4.496 -15.938 1.00 0.00 H new ATOM 407 N ASN P 23 6.141 3.707 -9.156 1.00 0.00 N ATOM 408 CA ASN P 23 6.481 5.016 -8.597 1.00 0.00 C ATOM 409 C ASN P 23 7.496 4.851 -7.449 1.00 0.00 C ATOM 410 O ASN P 23 7.141 4.412 -6.353 1.00 0.00 O ATOM 411 CB ASN P 23 5.174 5.695 -8.138 1.00 0.00 C ATOM 412 CG ASN P 23 5.371 7.120 -7.645 1.00 0.00 C ATOM 413 OD1 ASN P 23 6.428 7.724 -7.769 1.00 0.00 O ATOM 414 ND2 ASN P 23 4.341 7.721 -7.095 1.00 0.00 N ATOM 0 H ASN P 23 6.078 2.979 -8.444 1.00 0.00 H new ATOM 0 HA ASN P 23 6.957 5.651 -9.344 1.00 0.00 H new ATOM 0 HB2 ASN P 23 4.466 5.700 -8.967 1.00 0.00 H new ATOM 0 HB3 ASN P 23 4.726 5.102 -7.341 1.00 0.00 H new ATOM 0 HD21 ASN P 23 4.425 8.686 -6.774 1.00 0.00 H new ATOM 0 HD22 ASN P 23 3.457 7.223 -6.989 1.00 0.00 H new ATOM 421 N ARG P 24 8.768 5.198 -7.694 1.00 0.00 N ATOM 422 CA ARG P 24 9.848 5.077 -6.696 1.00 0.00 C ATOM 423 C ARG P 24 9.607 6.003 -5.497 1.00 0.00 C ATOM 424 O ARG P 24 9.223 7.158 -5.683 1.00 0.00 O ATOM 425 CB ARG P 24 11.216 5.367 -7.334 1.00 0.00 C ATOM 426 CG ARG P 24 11.628 4.330 -8.391 1.00 0.00 C ATOM 427 CD ARG P 24 12.997 4.671 -8.996 1.00 0.00 C ATOM 428 NE ARG P 24 14.093 4.558 -8.011 1.00 0.00 N ATOM 429 CZ ARG P 24 15.292 5.107 -8.095 1.00 0.00 C ATOM 430 NH1 ARG P 24 15.664 5.813 -9.126 1.00 0.00 N ATOM 431 NH2 ARG P 24 16.153 4.960 -7.129 1.00 0.00 N ATOM 0 H ARG P 24 9.080 5.571 -8.590 1.00 0.00 H new ATOM 0 HA ARG P 24 9.847 4.050 -6.332 1.00 0.00 H new ATOM 0 HB2 ARG P 24 11.192 6.355 -7.795 1.00 0.00 H new ATOM 0 HB3 ARG P 24 11.974 5.399 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG P 24 11.664 3.339 -7.938 1.00 0.00 H new ATOM 0 HG3 ARG P 24 10.877 4.293 -9.180 1.00 0.00 H new ATOM 0 HD2 ARG P 24 13.196 4.005 -9.835 1.00 0.00 H new ATOM 0 HD3 ARG P 24 12.973 5.686 -9.394 1.00 0.00 H new ATOM 0 HE ARG P 24 13.904 3.998 -7.180 1.00 0.00 H new ATOM 0 HH11 ARG P 24 15.021 5.957 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG P 24 16.598 6.221 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG P 24 15.903 4.418 -6.301 1.00 0.00 H new ATOM 0 HH22 ARG P 24 17.077 5.386 -7.200 1.00 0.00 H new ATOM 445 N TYR P 25 9.848 5.485 -4.288 1.00 0.00 N ATOM 446 CA TYR P 25 9.679 6.174 -2.995 1.00 0.00 C ATOM 447 C TYR P 25 8.412 7.074 -2.914 1.00 0.00 C ATOM 448 O TYR P 25 8.529 8.301 -2.844 1.00 0.00 O ATOM 449 CB TYR P 25 11.003 6.857 -2.575 1.00 0.00 C ATOM 450 CG TYR P 25 11.702 7.740 -3.603 1.00 0.00 C ATOM 451 CD1 TYR P 25 12.636 7.177 -4.498 1.00 0.00 C ATOM 452 CD2 TYR P 25 11.452 9.127 -3.644 1.00 0.00 C ATOM 453 CE1 TYR P 25 13.288 7.984 -5.452 1.00 0.00 C ATOM 454 CE2 TYR P 25 12.103 9.939 -4.594 1.00 0.00 C ATOM 455 CZ TYR P 25 13.019 9.370 -5.504 1.00 0.00 C ATOM 456 OH TYR P 25 13.643 10.163 -6.419 1.00 0.00 O ATOM 0 H TYR P 25 10.182 4.528 -4.174 1.00 0.00 H new ATOM 0 HA TYR P 25 9.466 5.419 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR P 25 10.802 7.464 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR P 25 11.702 6.077 -2.273 1.00 0.00 H new ATOM 0 HD1 TYR P 25 12.853 6.120 -4.452 1.00 0.00 H new ATOM 0 HD2 TYR P 25 10.758 9.569 -2.944 1.00 0.00 H new ATOM 0 HE1 TYR P 25 13.992 7.544 -6.142 1.00 0.00 H new ATOM 0 HE2 TYR P 25 11.900 10.999 -4.626 1.00 0.00 H new ATOM 0 HH TYR P 25 13.338 11.088 -6.312 1.00 0.00 H new ATOM 466 N PRO P 26 7.190 6.490 -2.928 1.00 0.00 N ATOM 467 CA PRO P 26 5.923 7.233 -2.971 1.00 0.00 C ATOM 468 C PRO P 26 5.768 8.295 -1.875 1.00 0.00 C ATOM 469 O PRO P 26 6.193 8.092 -0.735 1.00 0.00 O ATOM 470 CB PRO P 26 4.813 6.181 -2.849 1.00 0.00 C ATOM 471 CG PRO P 26 5.458 4.922 -3.411 1.00 0.00 C ATOM 472 CD PRO P 26 6.910 5.058 -2.954 1.00 0.00 C ATOM 0 HA PRO P 26 5.880 7.798 -3.902 1.00 0.00 H new ATOM 0 HB2 PRO P 26 4.500 6.045 -1.814 1.00 0.00 H new ATOM 0 HB3 PRO P 26 3.926 6.465 -3.415 1.00 0.00 H new ATOM 0 HG2 PRO P 26 4.992 4.018 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO P 26 5.378 4.876 -4.497 1.00 0.00 H new ATOM 0 HD2 PRO P 26 7.052 4.614 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO P 26 7.584 4.541 -3.637 1.00 0.00 H new ATOM 480 N ASP P 27 5.098 9.401 -2.198 1.00 0.00 N ATOM 481 CA ASP P 27 4.668 10.405 -1.220 1.00 0.00 C ATOM 482 C ASP P 27 3.552 9.835 -0.321 1.00 0.00 C ATOM 483 O ASP P 27 2.824 8.918 -0.708 1.00 0.00 O ATOM 484 CB ASP P 27 4.237 11.686 -1.960 1.00 0.00 C ATOM 485 CG ASP P 27 4.101 12.930 -1.060 1.00 0.00 C ATOM 486 OD1 ASP P 27 4.456 12.872 0.142 1.00 0.00 O ATOM 487 OD2 ASP P 27 3.663 13.989 -1.570 1.00 0.00 O ATOM 0 H ASP P 27 4.835 9.629 -3.157 1.00 0.00 H new ATOM 0 HA ASP P 27 5.497 10.665 -0.561 1.00 0.00 H new ATOM 0 HB2 ASP P 27 4.963 11.899 -2.745 1.00 0.00 H new ATOM 0 HB3 ASP P 27 3.281 11.502 -2.451 1.00 0.00 H new ATOM 492 N MET P 28 3.406 10.358 0.894 1.00 0.00 N ATOM 493 CA MET P 28 2.533 9.783 1.928 1.00 0.00 C ATOM 494 C MET P 28 1.036 9.875 1.590 1.00 0.00 C ATOM 495 O MET P 28 0.251 9.057 2.069 1.00 0.00 O ATOM 496 CB MET P 28 2.882 10.418 3.280 1.00 0.00 C ATOM 497 CG MET P 28 4.240 9.890 3.777 1.00 0.00 C ATOM 498 SD MET P 28 5.269 11.092 4.662 1.00 0.00 S ATOM 499 CE MET P 28 5.815 12.097 3.251 1.00 0.00 C ATOM 0 H MET P 28 3.893 11.201 1.197 1.00 0.00 H new ATOM 0 HA MET P 28 2.722 8.711 1.980 1.00 0.00 H new ATOM 0 HB2 MET P 28 2.918 11.503 3.182 1.00 0.00 H new ATOM 0 HB3 MET P 28 2.105 10.189 4.009 1.00 0.00 H new ATOM 0 HG2 MET P 28 4.061 9.039 4.433 1.00 0.00 H new ATOM 0 HG3 MET P 28 4.802 9.519 2.920 1.00 0.00 H new ATOM 0 HE1 MET P 28 6.535 12.841 3.591 1.00 0.00 H new ATOM 0 HE2 MET P 28 6.283 11.454 2.506 1.00 0.00 H new ATOM 0 HE3 MET P 28 4.955 12.600 2.808 1.00 0.00 H new ATOM 509 N SER P 29 0.638 10.797 0.709 1.00 0.00 N ATOM 510 CA SER P 29 -0.708 10.842 0.120 1.00 0.00 C ATOM 511 C SER P 29 -0.957 9.649 -0.816 1.00 0.00 C ATOM 512 O SER P 29 -1.997 8.995 -0.722 1.00 0.00 O ATOM 513 CB SER P 29 -0.902 12.165 -0.631 1.00 0.00 C ATOM 514 OG SER P 29 0.168 12.389 -1.539 1.00 0.00 O ATOM 0 H SER P 29 1.248 11.545 0.379 1.00 0.00 H new ATOM 0 HA SER P 29 -1.435 10.777 0.929 1.00 0.00 H new ATOM 0 HB2 SER P 29 -1.847 12.146 -1.173 1.00 0.00 H new ATOM 0 HB3 SER P 29 -0.959 12.988 0.081 1.00 0.00 H new ATOM 0 HG SER P 29 0.026 13.237 -2.010 1.00 0.00 H new ATOM 520 N THR P 30 0.024 9.286 -1.649 1.00 0.00 N ATOM 521 CA THR P 30 -0.009 8.079 -2.494 1.00 0.00 C ATOM 522 C THR P 30 -0.010 6.810 -1.639 1.00 0.00 C ATOM 523 O THR P 30 -0.810 5.910 -1.895 1.00 0.00 O ATOM 524 CB THR P 30 1.175 8.049 -3.477 1.00 0.00 C ATOM 525 OG1 THR P 30 1.226 9.256 -4.211 1.00 0.00 O ATOM 526 CG2 THR P 30 1.067 6.908 -4.492 1.00 0.00 C ATOM 0 H THR P 30 0.880 9.830 -1.760 1.00 0.00 H new ATOM 0 HA THR P 30 -0.933 8.114 -3.071 1.00 0.00 H new ATOM 0 HB THR P 30 2.070 7.906 -2.872 1.00 0.00 H new ATOM 0 HG1 THR P 30 1.983 9.229 -4.833 1.00 0.00 H new ATOM 0 HG21 THR P 30 1.927 6.933 -5.161 1.00 0.00 H new ATOM 0 HG22 THR P 30 1.044 5.954 -3.966 1.00 0.00 H new ATOM 0 HG23 THR P 30 0.152 7.023 -5.073 1.00 0.00 H new ATOM 534 N ARG P 31 0.816 6.751 -0.579 1.00 0.00 N ATOM 535 CA ARG P 31 0.802 5.642 0.401 1.00 0.00 C ATOM 536 C ARG P 31 -0.575 5.459 1.051 1.00 0.00 C ATOM 537 O ARG P 31 -1.028 4.331 1.206 1.00 0.00 O ATOM 538 CB ARG P 31 1.863 5.838 1.500 1.00 0.00 C ATOM 539 CG ARG P 31 3.300 5.867 0.964 1.00 0.00 C ATOM 540 CD ARG P 31 4.319 6.034 2.099 1.00 0.00 C ATOM 541 NE ARG P 31 5.580 6.591 1.580 1.00 0.00 N ATOM 542 CZ ARG P 31 6.720 6.776 2.213 1.00 0.00 C ATOM 543 NH1 ARG P 31 6.918 6.375 3.436 1.00 0.00 N ATOM 544 NH2 ARG P 31 7.681 7.397 1.599 1.00 0.00 N ATOM 0 H ARG P 31 1.512 7.468 -0.375 1.00 0.00 H new ATOM 0 HA ARG P 31 1.039 4.741 -0.165 1.00 0.00 H new ATOM 0 HB2 ARG P 31 1.661 6.771 2.027 1.00 0.00 H new ATOM 0 HB3 ARG P 31 1.772 5.033 2.230 1.00 0.00 H new ATOM 0 HG2 ARG P 31 3.506 4.944 0.421 1.00 0.00 H new ATOM 0 HG3 ARG P 31 3.408 6.686 0.253 1.00 0.00 H new ATOM 0 HD2 ARG P 31 3.913 6.692 2.867 1.00 0.00 H new ATOM 0 HD3 ARG P 31 4.507 5.070 2.572 1.00 0.00 H new ATOM 0 HE ARG P 31 5.569 6.871 0.599 1.00 0.00 H new ATOM 0 HH11 ARG P 31 6.173 5.896 3.943 1.00 0.00 H new ATOM 0 HH12 ARG P 31 7.818 6.540 3.887 1.00 0.00 H new ATOM 0 HH21 ARG P 31 7.545 7.731 0.645 1.00 0.00 H new ATOM 0 HH22 ARG P 31 8.572 7.551 2.071 1.00 0.00 H new ATOM 558 N GLU P 32 -1.265 6.548 1.394 1.00 0.00 N ATOM 559 CA GLU P 32 -2.615 6.495 1.969 1.00 0.00 C ATOM 560 C GLU P 32 -3.678 6.025 0.956 1.00 0.00 C ATOM 561 O GLU P 32 -4.567 5.253 1.318 1.00 0.00 O ATOM 562 CB GLU P 32 -2.958 7.869 2.569 1.00 0.00 C ATOM 563 CG GLU P 32 -4.281 7.879 3.345 1.00 0.00 C ATOM 564 CD GLU P 32 -4.561 9.275 3.937 1.00 0.00 C ATOM 565 OE1 GLU P 32 -5.210 10.108 3.257 1.00 0.00 O ATOM 566 OE2 GLU P 32 -4.146 9.549 5.090 1.00 0.00 O ATOM 0 H GLU P 32 -0.904 7.495 1.281 1.00 0.00 H new ATOM 0 HA GLU P 32 -2.623 5.745 2.760 1.00 0.00 H new ATOM 0 HB2 GLU P 32 -2.152 8.179 3.234 1.00 0.00 H new ATOM 0 HB3 GLU P 32 -3.010 8.605 1.767 1.00 0.00 H new ATOM 0 HG2 GLU P 32 -5.097 7.590 2.683 1.00 0.00 H new ATOM 0 HG3 GLU P 32 -4.243 7.141 4.146 1.00 0.00 H new ATOM 573 N GLU P 33 -3.575 6.413 -0.321 1.00 0.00 N ATOM 574 CA GLU P 33 -4.468 5.896 -1.371 1.00 0.00 C ATOM 575 C GLU P 33 -4.254 4.394 -1.619 1.00 0.00 C ATOM 576 O GLU P 33 -5.224 3.634 -1.621 1.00 0.00 O ATOM 577 CB GLU P 33 -4.315 6.679 -2.683 1.00 0.00 C ATOM 578 CG GLU P 33 -4.918 8.086 -2.594 1.00 0.00 C ATOM 579 CD GLU P 33 -4.867 8.798 -3.960 1.00 0.00 C ATOM 580 OE1 GLU P 33 -3.793 9.324 -4.343 1.00 0.00 O ATOM 581 OE2 GLU P 33 -5.910 8.856 -4.657 1.00 0.00 O ATOM 0 H GLU P 33 -2.882 7.084 -0.655 1.00 0.00 H new ATOM 0 HA GLU P 33 -5.486 6.036 -1.007 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -3.258 6.755 -2.937 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -4.799 6.129 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -5.951 8.022 -2.252 1.00 0.00 H new ATOM 0 HG3 GLU P 33 -4.373 8.672 -1.854 1.00 0.00 H new ATOM 588 N ILE P 34 -3.007 3.923 -1.746 1.00 0.00 N ATOM 589 CA ILE P 34 -2.758 2.482 -1.918 1.00 0.00 C ATOM 590 C ILE P 34 -3.097 1.680 -0.652 1.00 0.00 C ATOM 591 O ILE P 34 -3.450 0.508 -0.766 1.00 0.00 O ATOM 592 CB ILE P 34 -1.359 2.167 -2.497 1.00 0.00 C ATOM 593 CG1 ILE P 34 -0.164 2.470 -1.577 1.00 0.00 C ATOM 594 CG2 ILE P 34 -1.149 2.913 -3.827 1.00 0.00 C ATOM 595 CD1 ILE P 34 0.093 1.415 -0.499 1.00 0.00 C ATOM 0 H ILE P 34 -2.168 4.503 -1.734 1.00 0.00 H new ATOM 0 HA ILE P 34 -3.454 2.140 -2.684 1.00 0.00 H new ATOM 0 HB ILE P 34 -1.370 1.085 -2.630 1.00 0.00 H new ATOM 0 HG12 ILE P 34 0.732 2.571 -2.189 1.00 0.00 H new ATOM 0 HG13 ILE P 34 -0.330 3.432 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE P 34 -0.160 2.681 -4.222 1.00 0.00 H new ATOM 0 HG22 ILE P 34 -1.908 2.600 -4.544 1.00 0.00 H new ATOM 0 HG23 ILE P 34 -1.230 3.987 -3.659 1.00 0.00 H new ATOM 0 HD11 ILE P 34 0.953 1.711 0.102 1.00 0.00 H new ATOM 0 HD12 ILE P 34 -0.785 1.328 0.142 1.00 0.00 H new ATOM 0 HD13 ILE P 34 0.294 0.454 -0.971 1.00 0.00 H new ATOM 607 N ALA P 35 -3.084 2.296 0.539 1.00 0.00 N ATOM 608 CA ALA P 35 -3.519 1.662 1.785 1.00 0.00 C ATOM 609 C ALA P 35 -5.018 1.311 1.745 1.00 0.00 C ATOM 610 O ALA P 35 -5.382 0.168 2.017 1.00 0.00 O ATOM 611 CB ALA P 35 -3.169 2.560 2.980 1.00 0.00 C ATOM 0 H ALA P 35 -2.767 3.258 0.662 1.00 0.00 H new ATOM 0 HA ALA P 35 -2.984 0.720 1.903 1.00 0.00 H new ATOM 0 HB1 ALA P 35 -3.496 2.081 3.903 1.00 0.00 H new ATOM 0 HB2 ALA P 35 -2.091 2.716 3.014 1.00 0.00 H new ATOM 0 HB3 ALA P 35 -3.671 3.521 2.872 1.00 0.00 H new ATOM 617 N VAL P 36 -5.896 2.231 1.323 1.00 0.00 N ATOM 618 CA VAL P 36 -7.336 1.930 1.185 1.00 0.00 C ATOM 619 C VAL P 36 -7.628 0.950 0.038 1.00 0.00 C ATOM 620 O VAL P 36 -8.547 0.138 0.160 1.00 0.00 O ATOM 621 CB VAL P 36 -8.222 3.191 1.108 1.00 0.00 C ATOM 622 CG1 VAL P 36 -8.120 4.017 2.393 1.00 0.00 C ATOM 623 CG2 VAL P 36 -7.912 4.129 -0.057 1.00 0.00 C ATOM 0 H VAL P 36 -5.641 3.186 1.071 1.00 0.00 H new ATOM 0 HA VAL P 36 -7.613 1.425 2.111 1.00 0.00 H new ATOM 0 HB VAL P 36 -9.225 2.791 0.958 1.00 0.00 H new ATOM 0 HG11 VAL P 36 -8.755 4.899 2.310 1.00 0.00 H new ATOM 0 HG12 VAL P 36 -8.446 3.414 3.240 1.00 0.00 H new ATOM 0 HG13 VAL P 36 -7.086 4.327 2.545 1.00 0.00 H new ATOM 0 HG21 VAL P 36 -8.587 4.984 -0.025 1.00 0.00 H new ATOM 0 HG22 VAL P 36 -6.882 4.476 0.020 1.00 0.00 H new ATOM 0 HG23 VAL P 36 -8.046 3.596 -0.999 1.00 0.00 H new ATOM 633 N TRP P 37 -6.822 0.941 -1.032 1.00 0.00 N ATOM 634 CA TRP P 37 -6.948 -0.016 -2.148 1.00 0.00 C ATOM 635 C TRP P 37 -6.485 -1.440 -1.780 1.00 0.00 C ATOM 636 O TRP P 37 -7.083 -2.418 -2.232 1.00 0.00 O ATOM 637 CB TRP P 37 -6.173 0.507 -3.369 1.00 0.00 C ATOM 638 CG TRP P 37 -6.533 1.866 -3.900 1.00 0.00 C ATOM 639 CD1 TRP P 37 -7.618 2.591 -3.553 1.00 0.00 C ATOM 640 CD2 TRP P 37 -5.789 2.708 -4.837 1.00 0.00 C ATOM 641 NE1 TRP P 37 -7.581 3.829 -4.160 1.00 0.00 N ATOM 642 CE2 TRP P 37 -6.476 3.953 -4.976 1.00 0.00 C ATOM 643 CE3 TRP P 37 -4.596 2.550 -5.577 1.00 0.00 C ATOM 644 CZ2 TRP P 37 -6.003 4.988 -5.796 1.00 0.00 C ATOM 645 CZ3 TRP P 37 -4.110 3.583 -6.404 1.00 0.00 C ATOM 646 CH2 TRP P 37 -4.808 4.800 -6.512 1.00 0.00 C ATOM 0 H TRP P 37 -6.055 1.603 -1.152 1.00 0.00 H new ATOM 0 HA TRP P 37 -8.008 -0.094 -2.388 1.00 0.00 H new ATOM 0 HB2 TRP P 37 -5.113 0.518 -3.113 1.00 0.00 H new ATOM 0 HB3 TRP P 37 -6.298 -0.212 -4.178 1.00 0.00 H new ATOM 0 HD1 TRP P 37 -8.403 2.250 -2.894 1.00 0.00 H new ATOM 0 HE1 TRP P 37 -8.281 4.559 -4.023 1.00 0.00 H new ATOM 0 HE3 TRP P 37 -4.047 1.622 -5.508 1.00 0.00 H new ATOM 0 HZ2 TRP P 37 -6.549 5.916 -5.876 1.00 0.00 H new ATOM 0 HZ3 TRP P 37 -3.195 3.439 -6.959 1.00 0.00 H new ATOM 0 HH2 TRP P 37 -4.426 5.588 -7.144 1.00 0.00 H new ATOM 657 N THR P 38 -5.464 -1.572 -0.925 1.00 0.00 N ATOM 658 CA THR P 38 -4.977 -2.853 -0.362 1.00 0.00 C ATOM 659 C THR P 38 -5.712 -3.281 0.918 1.00 0.00 C ATOM 660 O THR P 38 -5.473 -4.377 1.430 1.00 0.00 O ATOM 661 CB THR P 38 -3.462 -2.818 -0.087 1.00 0.00 C ATOM 662 OG1 THR P 38 -3.114 -1.726 0.728 1.00 0.00 O ATOM 663 CG2 THR P 38 -2.627 -2.745 -1.364 1.00 0.00 C ATOM 0 H THR P 38 -4.932 -0.769 -0.590 1.00 0.00 H new ATOM 0 HA THR P 38 -5.192 -3.595 -1.131 1.00 0.00 H new ATOM 0 HB THR P 38 -3.240 -3.756 0.422 1.00 0.00 H new ATOM 0 HG1 THR P 38 -3.128 -0.903 0.196 1.00 0.00 H new ATOM 0 HG21 THR P 38 -1.568 -2.723 -1.106 1.00 0.00 H new ATOM 0 HG22 THR P 38 -2.831 -3.619 -1.983 1.00 0.00 H new ATOM 0 HG23 THR P 38 -2.885 -1.841 -1.916 1.00 0.00 H new ATOM 671 N ASN P 39 -6.615 -2.437 1.431 1.00 0.00 N ATOM 672 CA ASN P 39 -7.293 -2.565 2.727 1.00 0.00 C ATOM 673 C ASN P 39 -6.323 -2.679 3.931 1.00 0.00 C ATOM 674 O ASN P 39 -6.586 -3.381 4.910 1.00 0.00 O ATOM 675 CB ASN P 39 -8.375 -3.663 2.635 1.00 0.00 C ATOM 676 CG ASN P 39 -9.416 -3.580 3.742 1.00 0.00 C ATOM 677 OD1 ASN P 39 -9.527 -4.442 4.604 1.00 0.00 O ATOM 678 ND2 ASN P 39 -10.239 -2.554 3.741 1.00 0.00 N ATOM 0 H ASN P 39 -6.908 -1.601 0.926 1.00 0.00 H new ATOM 0 HA ASN P 39 -7.811 -1.632 2.949 1.00 0.00 H new ATOM 0 HB2 ASN P 39 -8.876 -3.589 1.670 1.00 0.00 H new ATOM 0 HB3 ASN P 39 -7.894 -4.641 2.671 1.00 0.00 H new ATOM 0 HD21 ASN P 39 -10.963 -2.481 4.455 1.00 0.00 H new ATOM 0 HD22 ASN P 39 -10.153 -1.832 3.026 1.00 0.00 H new ATOM 685 N LEU P 40 -5.190 -1.977 3.850 1.00 0.00 N ATOM 686 CA LEU P 40 -4.186 -1.821 4.905 1.00 0.00 C ATOM 687 C LEU P 40 -4.331 -0.476 5.642 1.00 0.00 C ATOM 688 O LEU P 40 -5.011 0.447 5.189 1.00 0.00 O ATOM 689 CB LEU P 40 -2.779 -1.970 4.289 1.00 0.00 C ATOM 690 CG LEU P 40 -2.454 -3.363 3.721 1.00 0.00 C ATOM 691 CD1 LEU P 40 -1.067 -3.343 3.078 1.00 0.00 C ATOM 692 CD2 LEU P 40 -2.461 -4.428 4.820 1.00 0.00 C ATOM 0 H LEU P 40 -4.935 -1.475 3.000 1.00 0.00 H new ATOM 0 HA LEU P 40 -4.340 -2.601 5.651 1.00 0.00 H new ATOM 0 HB2 LEU P 40 -2.670 -1.236 3.491 1.00 0.00 H new ATOM 0 HB3 LEU P 40 -2.039 -1.725 5.051 1.00 0.00 H new ATOM 0 HG LEU P 40 -3.218 -3.609 2.984 1.00 0.00 H new ATOM 0 HD11 LEU P 40 -0.838 -4.330 2.676 1.00 0.00 H new ATOM 0 HD12 LEU P 40 -1.050 -2.610 2.271 1.00 0.00 H new ATOM 0 HD13 LEU P 40 -0.322 -3.075 3.827 1.00 0.00 H new ATOM 0 HD21 LEU P 40 -2.228 -5.400 4.386 1.00 0.00 H new ATOM 0 HD22 LEU P 40 -1.714 -4.178 5.573 1.00 0.00 H new ATOM 0 HD23 LEU P 40 -3.446 -4.465 5.285 1.00 0.00 H new ATOM 704 N THR P 41 -3.657 -0.360 6.786 1.00 0.00 N ATOM 705 CA THR P 41 -3.530 0.882 7.570 1.00 0.00 C ATOM 706 C THR P 41 -2.415 1.752 6.986 1.00 0.00 C ATOM 707 O THR P 41 -1.353 1.230 6.648 1.00 0.00 O ATOM 708 CB THR P 41 -3.206 0.579 9.049 1.00 0.00 C ATOM 709 OG1 THR P 41 -3.661 -0.702 9.445 1.00 0.00 O ATOM 710 CG2 THR P 41 -3.815 1.605 9.999 1.00 0.00 C ATOM 0 H THR P 41 -3.167 -1.148 7.211 1.00 0.00 H new ATOM 0 HA THR P 41 -4.483 1.408 7.520 1.00 0.00 H new ATOM 0 HB THR P 41 -2.119 0.621 9.114 1.00 0.00 H new ATOM 0 HG1 THR P 41 -4.032 -0.652 10.351 1.00 0.00 H new ATOM 0 HG21 THR P 41 -3.558 1.347 11.026 1.00 0.00 H new ATOM 0 HG22 THR P 41 -3.424 2.595 9.765 1.00 0.00 H new ATOM 0 HG23 THR P 41 -4.899 1.607 9.886 1.00 0.00 H new ATOM 718 N GLU P 42 -2.579 3.075 6.910 1.00 0.00 N ATOM 719 CA GLU P 42 -1.537 3.943 6.323 1.00 0.00 C ATOM 720 C GLU P 42 -0.225 3.965 7.133 1.00 0.00 C ATOM 721 O GLU P 42 0.851 4.031 6.542 1.00 0.00 O ATOM 722 CB GLU P 42 -2.086 5.342 5.987 1.00 0.00 C ATOM 723 CG GLU P 42 -2.816 6.105 7.107 1.00 0.00 C ATOM 724 CD GLU P 42 -1.912 6.489 8.291 1.00 0.00 C ATOM 725 OE1 GLU P 42 -0.892 7.190 8.081 1.00 0.00 O ATOM 726 OE2 GLU P 42 -2.207 6.074 9.435 1.00 0.00 O ATOM 0 H GLU P 42 -3.408 3.570 7.240 1.00 0.00 H new ATOM 0 HA GLU P 42 -1.253 3.491 5.373 1.00 0.00 H new ATOM 0 HB2 GLU P 42 -1.253 5.958 5.648 1.00 0.00 H new ATOM 0 HB3 GLU P 42 -2.772 5.241 5.146 1.00 0.00 H new ATOM 0 HG2 GLU P 42 -3.256 7.011 6.689 1.00 0.00 H new ATOM 0 HG3 GLU P 42 -3.639 5.492 7.475 1.00 0.00 H new ATOM 733 N ALA P 43 -0.280 3.788 8.459 1.00 0.00 N ATOM 734 CA ALA P 43 0.907 3.615 9.304 1.00 0.00 C ATOM 735 C ALA P 43 1.589 2.249 9.096 1.00 0.00 C ATOM 736 O ALA P 43 2.817 2.156 9.086 1.00 0.00 O ATOM 737 CB ALA P 43 0.497 3.829 10.766 1.00 0.00 C ATOM 0 H ALA P 43 -1.157 3.761 8.979 1.00 0.00 H new ATOM 0 HA ALA P 43 1.654 4.356 9.018 1.00 0.00 H new ATOM 0 HB1 ALA P 43 1.368 3.704 11.410 1.00 0.00 H new ATOM 0 HB2 ALA P 43 0.097 4.835 10.888 1.00 0.00 H new ATOM 0 HB3 ALA P 43 -0.265 3.100 11.041 1.00 0.00 H new ATOM 743 N ARG P 44 0.804 1.192 8.854 1.00 0.00 N ATOM 744 CA ARG P 44 1.289 -0.163 8.538 1.00 0.00 C ATOM 745 C ARG P 44 1.954 -0.214 7.154 1.00 0.00 C ATOM 746 O ARG P 44 2.993 -0.849 6.987 1.00 0.00 O ATOM 747 CB ARG P 44 0.104 -1.122 8.713 1.00 0.00 C ATOM 748 CG ARG P 44 0.454 -2.604 8.556 1.00 0.00 C ATOM 749 CD ARG P 44 -0.668 -3.464 9.153 1.00 0.00 C ATOM 750 NE ARG P 44 -0.536 -3.576 10.622 1.00 0.00 N ATOM 751 CZ ARG P 44 -1.359 -3.164 11.570 1.00 0.00 C ATOM 752 NH1 ARG P 44 -2.438 -2.467 11.354 1.00 0.00 N ATOM 753 NH2 ARG P 44 -1.082 -3.459 12.805 1.00 0.00 N ATOM 0 H ARG P 44 -0.214 1.254 8.872 1.00 0.00 H new ATOM 0 HA ARG P 44 2.083 -0.473 9.218 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -0.329 -0.967 9.701 1.00 0.00 H new ATOM 0 HB3 ARG P 44 -0.665 -0.865 7.985 1.00 0.00 H new ATOM 0 HG2 ARG P 44 0.590 -2.846 7.502 1.00 0.00 H new ATOM 0 HG3 ARG P 44 1.398 -2.820 9.057 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -1.635 -3.027 8.905 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -0.644 -4.458 8.707 1.00 0.00 H new ATOM 0 HE ARG P 44 0.312 -4.038 10.950 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -2.694 -2.205 10.402 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -3.027 -2.183 12.137 1.00 0.00 H new ATOM 0 HH21 ARG P 44 -0.244 -3.998 13.025 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -1.702 -3.152 13.554 1.00 0.00 H new ATOM 767 N VAL P 45 1.425 0.550 6.196 1.00 0.00 N ATOM 768 CA VAL P 45 2.044 0.812 4.885 1.00 0.00 C ATOM 769 C VAL P 45 3.318 1.655 5.028 1.00 0.00 C ATOM 770 O VAL P 45 4.330 1.337 4.407 1.00 0.00 O ATOM 771 CB VAL P 45 1.017 1.473 3.944 1.00 0.00 C ATOM 772 CG1 VAL P 45 1.636 2.056 2.675 1.00 0.00 C ATOM 773 CG2 VAL P 45 -0.035 0.442 3.518 1.00 0.00 C ATOM 0 H VAL P 45 0.527 1.020 6.310 1.00 0.00 H new ATOM 0 HA VAL P 45 2.347 -0.137 4.443 1.00 0.00 H new ATOM 0 HB VAL P 45 0.578 2.293 4.512 1.00 0.00 H new ATOM 0 HG11 VAL P 45 0.854 2.504 2.062 1.00 0.00 H new ATOM 0 HG12 VAL P 45 2.368 2.818 2.944 1.00 0.00 H new ATOM 0 HG13 VAL P 45 2.128 1.263 2.113 1.00 0.00 H new ATOM 0 HG21 VAL P 45 -0.759 0.914 2.853 1.00 0.00 H new ATOM 0 HG22 VAL P 45 0.453 -0.382 2.997 1.00 0.00 H new ATOM 0 HG23 VAL P 45 -0.548 0.060 4.400 1.00 0.00 H new ATOM 783 N ARG P 46 3.329 2.686 5.885 1.00 0.00 N ATOM 784 CA ARG P 46 4.527 3.499 6.174 1.00 0.00 C ATOM 785 C ARG P 46 5.661 2.655 6.772 1.00 0.00 C ATOM 786 O ARG P 46 6.811 2.815 6.365 1.00 0.00 O ATOM 787 CB ARG P 46 4.110 4.679 7.069 1.00 0.00 C ATOM 788 CG ARG P 46 5.198 5.749 7.258 1.00 0.00 C ATOM 789 CD ARG P 46 4.698 6.926 8.116 1.00 0.00 C ATOM 790 NE ARG P 46 3.610 7.680 7.451 1.00 0.00 N ATOM 791 CZ ARG P 46 2.315 7.623 7.716 1.00 0.00 C ATOM 792 NH1 ARG P 46 1.815 6.990 8.733 1.00 0.00 N ATOM 793 NH2 ARG P 46 1.439 8.202 6.954 1.00 0.00 N ATOM 0 H ARG P 46 2.502 2.984 6.403 1.00 0.00 H new ATOM 0 HA ARG P 46 4.938 3.898 5.247 1.00 0.00 H new ATOM 0 HB2 ARG P 46 3.225 5.150 6.640 1.00 0.00 H new ATOM 0 HB3 ARG P 46 3.823 4.293 8.047 1.00 0.00 H new ATOM 0 HG2 ARG P 46 6.072 5.300 7.730 1.00 0.00 H new ATOM 0 HG3 ARG P 46 5.517 6.119 6.284 1.00 0.00 H new ATOM 0 HD2 ARG P 46 4.343 6.549 9.075 1.00 0.00 H new ATOM 0 HD3 ARG P 46 5.529 7.599 8.326 1.00 0.00 H new ATOM 0 HE ARG P 46 3.891 8.315 6.704 1.00 0.00 H new ATOM 0 HH11 ARG P 46 2.431 6.500 9.382 1.00 0.00 H new ATOM 0 HH12 ARG P 46 0.806 6.983 8.884 1.00 0.00 H new ATOM 0 HH21 ARG P 46 1.743 8.717 6.128 1.00 0.00 H new ATOM 0 HH22 ARG P 46 0.446 8.142 7.181 1.00 0.00 H new ATOM 807 N VAL P 47 5.339 1.694 7.642 1.00 0.00 N ATOM 808 CA VAL P 47 6.281 0.677 8.150 1.00 0.00 C ATOM 809 C VAL P 47 6.758 -0.267 7.037 1.00 0.00 C ATOM 810 O VAL P 47 7.954 -0.558 6.977 1.00 0.00 O ATOM 811 CB VAL P 47 5.668 -0.094 9.341 1.00 0.00 C ATOM 812 CG1 VAL P 47 6.482 -1.328 9.755 1.00 0.00 C ATOM 813 CG2 VAL P 47 5.584 0.819 10.572 1.00 0.00 C ATOM 0 H VAL P 47 4.399 1.594 8.024 1.00 0.00 H new ATOM 0 HA VAL P 47 7.167 1.197 8.515 1.00 0.00 H new ATOM 0 HB VAL P 47 4.685 -0.421 9.002 1.00 0.00 H new ATOM 0 HG11 VAL P 47 5.994 -1.820 10.596 1.00 0.00 H new ATOM 0 HG12 VAL P 47 6.545 -2.021 8.916 1.00 0.00 H new ATOM 0 HG13 VAL P 47 7.486 -1.020 10.048 1.00 0.00 H new ATOM 0 HG21 VAL P 47 5.151 0.267 11.406 1.00 0.00 H new ATOM 0 HG22 VAL P 47 6.584 1.158 10.842 1.00 0.00 H new ATOM 0 HG23 VAL P 47 4.958 1.681 10.343 1.00 0.00 H new ATOM 823 N TRP P 48 5.893 -0.683 6.103 1.00 0.00 N ATOM 824 CA TRP P 48 6.323 -1.464 4.932 1.00 0.00 C ATOM 825 C TRP P 48 7.335 -0.688 4.078 1.00 0.00 C ATOM 826 O TRP P 48 8.396 -1.223 3.760 1.00 0.00 O ATOM 827 CB TRP P 48 5.125 -1.930 4.091 1.00 0.00 C ATOM 828 CG TRP P 48 5.480 -2.926 3.024 1.00 0.00 C ATOM 829 CD1 TRP P 48 5.378 -4.268 3.149 1.00 0.00 C ATOM 830 CD2 TRP P 48 6.027 -2.695 1.682 1.00 0.00 C ATOM 831 NE1 TRP P 48 5.832 -4.882 1.998 1.00 0.00 N ATOM 832 CE2 TRP P 48 6.258 -3.963 1.064 1.00 0.00 C ATOM 833 CE3 TRP P 48 6.355 -1.549 0.918 1.00 0.00 C ATOM 834 CZ2 TRP P 48 6.801 -4.091 -0.225 1.00 0.00 C ATOM 835 CZ3 TRP P 48 6.894 -1.666 -0.378 1.00 0.00 C ATOM 836 CH2 TRP P 48 7.124 -2.930 -0.950 1.00 0.00 C ATOM 0 H TRP P 48 4.891 -0.493 6.134 1.00 0.00 H new ATOM 0 HA TRP P 48 6.825 -2.356 5.307 1.00 0.00 H new ATOM 0 HB2 TRP P 48 4.379 -2.371 4.752 1.00 0.00 H new ATOM 0 HB3 TRP P 48 4.662 -1.061 3.623 1.00 0.00 H new ATOM 0 HD1 TRP P 48 4.998 -4.783 4.019 1.00 0.00 H new ATOM 0 HE1 TRP P 48 5.850 -5.892 1.857 1.00 0.00 H new ATOM 0 HE3 TRP P 48 6.189 -0.567 1.337 1.00 0.00 H new ATOM 0 HZ2 TRP P 48 6.968 -5.068 -0.654 1.00 0.00 H new ATOM 0 HZ3 TRP P 48 7.133 -0.775 -0.939 1.00 0.00 H new ATOM 0 HH2 TRP P 48 7.546 -3.009 -1.941 1.00 0.00 H new ATOM 847 N PHE P 49 7.083 0.593 3.781 1.00 0.00 N ATOM 848 CA PHE P 49 8.031 1.437 3.041 1.00 0.00 C ATOM 849 C PHE P 49 9.307 1.768 3.833 1.00 0.00 C ATOM 850 O PHE P 49 10.361 1.960 3.227 1.00 0.00 O ATOM 851 CB PHE P 49 7.339 2.702 2.509 1.00 0.00 C ATOM 852 CG PHE P 49 6.523 2.456 1.252 1.00 0.00 C ATOM 853 CD1 PHE P 49 7.172 2.238 0.019 1.00 0.00 C ATOM 854 CD2 PHE P 49 5.118 2.422 1.310 1.00 0.00 C ATOM 855 CE1 PHE P 49 6.420 1.968 -1.139 1.00 0.00 C ATOM 856 CE2 PHE P 49 4.368 2.156 0.150 1.00 0.00 C ATOM 857 CZ PHE P 49 5.019 1.919 -1.070 1.00 0.00 C ATOM 0 H PHE P 49 6.222 1.072 4.045 1.00 0.00 H new ATOM 0 HA PHE P 49 8.368 0.848 2.188 1.00 0.00 H new ATOM 0 HB2 PHE P 49 6.687 3.105 3.284 1.00 0.00 H new ATOM 0 HB3 PHE P 49 8.094 3.461 2.301 1.00 0.00 H new ATOM 0 HD1 PHE P 49 8.250 2.278 -0.036 1.00 0.00 H new ATOM 0 HD2 PHE P 49 4.613 2.601 2.248 1.00 0.00 H new ATOM 0 HE1 PHE P 49 6.921 1.798 -2.081 1.00 0.00 H new ATOM 0 HE2 PHE P 49 3.289 2.134 0.199 1.00 0.00 H new ATOM 0 HZ PHE P 49 4.442 1.699 -1.956 1.00 0.00 H new ATOM 867 N LYS P 50 9.274 1.809 5.172 1.00 0.00 N ATOM 868 CA LYS P 50 10.480 1.905 6.022 1.00 0.00 C ATOM 869 C LYS P 50 11.341 0.644 5.889 1.00 0.00 C ATOM 870 O LYS P 50 12.536 0.746 5.615 1.00 0.00 O ATOM 871 CB LYS P 50 10.049 2.204 7.474 1.00 0.00 C ATOM 872 CG LYS P 50 11.183 2.565 8.452 1.00 0.00 C ATOM 873 CD LYS P 50 11.952 1.355 9.016 1.00 0.00 C ATOM 874 CE LYS P 50 12.830 1.729 10.220 1.00 0.00 C ATOM 875 NZ LYS P 50 13.964 2.619 9.850 1.00 0.00 N ATOM 0 H LYS P 50 8.405 1.777 5.705 1.00 0.00 H new ATOM 0 HA LYS P 50 11.113 2.729 5.691 1.00 0.00 H new ATOM 0 HB2 LYS P 50 9.334 3.026 7.458 1.00 0.00 H new ATOM 0 HB3 LYS P 50 9.524 1.332 7.863 1.00 0.00 H new ATOM 0 HG2 LYS P 50 11.888 3.222 7.943 1.00 0.00 H new ATOM 0 HG3 LYS P 50 10.762 3.131 9.283 1.00 0.00 H new ATOM 0 HD2 LYS P 50 11.242 0.583 9.313 1.00 0.00 H new ATOM 0 HD3 LYS P 50 12.578 0.928 8.232 1.00 0.00 H new ATOM 0 HE2 LYS P 50 12.216 2.224 10.972 1.00 0.00 H new ATOM 0 HE3 LYS P 50 13.221 0.819 10.676 1.00 0.00 H new ATOM 0 HZ1 LYS P 50 14.523 2.840 10.699 1.00 0.00 H new ATOM 0 HZ2 LYS P 50 14.568 2.140 9.152 1.00 0.00 H new ATOM 0 HZ3 LYS P 50 13.594 3.500 9.440 1.00 0.00 H new ATOM 889 N ASN P 51 10.731 -0.535 5.990 1.00 0.00 N ATOM 890 CA ASN P 51 11.415 -1.822 5.819 1.00 0.00 C ATOM 891 C ASN P 51 11.946 -1.997 4.382 1.00 0.00 C ATOM 892 O ASN P 51 13.078 -2.445 4.190 1.00 0.00 O ATOM 893 CB ASN P 51 10.454 -2.956 6.223 1.00 0.00 C ATOM 894 CG ASN P 51 10.120 -2.991 7.711 1.00 0.00 C ATOM 895 OD1 ASN P 51 10.707 -2.312 8.543 1.00 0.00 O ATOM 896 ND2 ASN P 51 9.176 -3.819 8.100 1.00 0.00 N ATOM 0 H ASN P 51 9.736 -0.628 6.195 1.00 0.00 H new ATOM 0 HA ASN P 51 12.290 -1.854 6.468 1.00 0.00 H new ATOM 0 HB2 ASN P 51 9.529 -2.852 5.657 1.00 0.00 H new ATOM 0 HB3 ASN P 51 10.896 -3.911 5.939 1.00 0.00 H new ATOM 0 HD21 ASN P 51 8.937 -3.892 9.089 1.00 0.00 H new ATOM 0 HD22 ASN P 51 8.682 -4.388 7.413 1.00 0.00 H new ATOM 903 N ARG P 52 11.181 -1.566 3.371 1.00 0.00 N ATOM 904 CA ARG P 52 11.581 -1.562 1.954 1.00 0.00 C ATOM 905 C ARG P 52 12.797 -0.670 1.703 1.00 0.00 C ATOM 906 O ARG P 52 13.742 -1.117 1.059 1.00 0.00 O ATOM 907 CB ARG P 52 10.374 -1.135 1.099 1.00 0.00 C ATOM 908 CG ARG P 52 10.609 -1.185 -0.417 1.00 0.00 C ATOM 909 CD ARG P 52 10.874 -2.605 -0.925 1.00 0.00 C ATOM 910 NE ARG P 52 10.958 -2.629 -2.398 1.00 0.00 N ATOM 911 CZ ARG P 52 10.564 -3.607 -3.193 1.00 0.00 C ATOM 912 NH1 ARG P 52 10.028 -4.704 -2.745 1.00 0.00 N ATOM 913 NH2 ARG P 52 10.702 -3.500 -4.479 1.00 0.00 N ATOM 0 H ARG P 52 10.240 -1.200 3.518 1.00 0.00 H new ATOM 0 HA ARG P 52 11.886 -2.569 1.669 1.00 0.00 H new ATOM 0 HB2 ARG P 52 9.528 -1.778 1.343 1.00 0.00 H new ATOM 0 HB3 ARG P 52 10.092 -0.119 1.375 1.00 0.00 H new ATOM 0 HG2 ARG P 52 9.738 -0.776 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG P 52 11.456 -0.548 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG P 52 11.803 -2.981 -0.497 1.00 0.00 H new ATOM 0 HD3 ARG P 52 10.077 -3.270 -0.591 1.00 0.00 H new ATOM 0 HE ARG P 52 11.361 -1.807 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG P 52 9.897 -4.835 -1.742 1.00 0.00 H new ATOM 0 HH12 ARG P 52 9.738 -5.433 -3.397 1.00 0.00 H new ATOM 0 HH21 ARG P 52 11.116 -2.658 -4.879 1.00 0.00 H new ATOM 0 HH22 ARG P 52 10.396 -4.258 -5.090 1.00 0.00 H new ATOM 927 N ARG P 53 12.819 0.552 2.253 1.00 0.00 N ATOM 928 CA ARG P 53 13.974 1.470 2.170 1.00 0.00 C ATOM 929 C ARG P 53 15.207 0.922 2.892 1.00 0.00 C ATOM 930 O ARG P 53 16.311 1.037 2.361 1.00 0.00 O ATOM 931 CB ARG P 53 13.586 2.858 2.705 1.00 0.00 C ATOM 932 CG ARG P 53 12.726 3.634 1.691 1.00 0.00 C ATOM 933 CD ARG P 53 12.230 4.968 2.265 1.00 0.00 C ATOM 934 NE ARG P 53 11.237 4.759 3.341 1.00 0.00 N ATOM 935 CZ ARG P 53 10.880 5.627 4.270 1.00 0.00 C ATOM 936 NH1 ARG P 53 11.392 6.822 4.333 1.00 0.00 N ATOM 937 NH2 ARG P 53 9.982 5.319 5.165 1.00 0.00 N ATOM 0 H ARG P 53 12.031 0.939 2.773 1.00 0.00 H new ATOM 0 HA ARG P 53 14.248 1.562 1.119 1.00 0.00 H new ATOM 0 HB2 ARG P 53 13.037 2.748 3.640 1.00 0.00 H new ATOM 0 HB3 ARG P 53 14.488 3.427 2.930 1.00 0.00 H new ATOM 0 HG2 ARG P 53 13.308 3.821 0.789 1.00 0.00 H new ATOM 0 HG3 ARG P 53 11.871 3.024 1.398 1.00 0.00 H new ATOM 0 HD2 ARG P 53 13.076 5.535 2.654 1.00 0.00 H new ATOM 0 HD3 ARG P 53 11.785 5.565 1.469 1.00 0.00 H new ATOM 0 HE ARG P 53 10.779 3.848 3.368 1.00 0.00 H new ATOM 0 HH11 ARG P 53 12.092 7.113 3.651 1.00 0.00 H new ATOM 0 HH12 ARG P 53 11.093 7.467 5.064 1.00 0.00 H new ATOM 0 HH21 ARG P 53 9.545 4.397 5.153 1.00 0.00 H new ATOM 0 HH22 ARG P 53 9.717 6.000 5.876 1.00 0.00 H new ATOM 951 N ALA P 54 15.036 0.257 4.037 1.00 0.00 N ATOM 952 CA ALA P 54 16.130 -0.417 4.742 1.00 0.00 C ATOM 953 C ALA P 54 16.730 -1.574 3.916 1.00 0.00 C ATOM 954 O ALA P 54 17.950 -1.640 3.743 1.00 0.00 O ATOM 955 CB ALA P 54 15.623 -0.879 6.115 1.00 0.00 C ATOM 0 H ALA P 54 14.133 0.170 4.503 1.00 0.00 H new ATOM 0 HA ALA P 54 16.949 0.287 4.887 1.00 0.00 H new ATOM 0 HB1 ALA P 54 16.428 -1.382 6.650 1.00 0.00 H new ATOM 0 HB2 ALA P 54 15.291 -0.015 6.690 1.00 0.00 H new ATOM 0 HB3 ALA P 54 14.789 -1.569 5.982 1.00 0.00 H new ATOM 961 N LYS P 55 15.889 -2.440 3.326 1.00 0.00 N ATOM 962 CA LYS P 55 16.333 -3.511 2.412 1.00 0.00 C ATOM 963 C LYS P 55 16.972 -2.971 1.131 1.00 0.00 C ATOM 964 O LYS P 55 17.971 -3.527 0.680 1.00 0.00 O ATOM 965 CB LYS P 55 15.168 -4.454 2.067 1.00 0.00 C ATOM 966 CG LYS P 55 14.803 -5.384 3.238 1.00 0.00 C ATOM 967 CD LYS P 55 13.828 -6.501 2.828 1.00 0.00 C ATOM 968 CE LYS P 55 14.501 -7.489 1.863 1.00 0.00 C ATOM 969 NZ LYS P 55 13.611 -8.614 1.482 1.00 0.00 N ATOM 0 H LYS P 55 14.879 -2.419 3.469 1.00 0.00 H new ATOM 0 HA LYS P 55 17.103 -4.070 2.944 1.00 0.00 H new ATOM 0 HB2 LYS P 55 14.295 -3.863 1.790 1.00 0.00 H new ATOM 0 HB3 LYS P 55 15.435 -5.055 1.198 1.00 0.00 H new ATOM 0 HG2 LYS P 55 15.713 -5.831 3.639 1.00 0.00 H new ATOM 0 HG3 LYS P 55 14.357 -4.795 4.039 1.00 0.00 H new ATOM 0 HD2 LYS P 55 13.482 -7.031 3.715 1.00 0.00 H new ATOM 0 HD3 LYS P 55 12.948 -6.066 2.354 1.00 0.00 H new ATOM 0 HE2 LYS P 55 14.813 -6.957 0.964 1.00 0.00 H new ATOM 0 HE3 LYS P 55 15.404 -7.886 2.327 1.00 0.00 H new ATOM 0 HZ1 LYS P 55 14.069 -9.184 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS P 55 13.429 -9.210 2.315 1.00 0.00 H new ATOM 0 HZ3 LYS P 55 12.711 -8.238 1.122 1.00 0.00 H new ATOM 983 N TRP P 56 16.454 -1.873 0.578 1.00 0.00 N ATOM 984 CA TRP P 56 17.026 -1.193 -0.590 1.00 0.00 C ATOM 985 C TRP P 56 18.420 -0.629 -0.298 1.00 0.00 C ATOM 986 O TRP P 56 19.358 -0.880 -1.053 1.00 0.00 O ATOM 987 CB TRP P 56 16.078 -0.081 -1.056 1.00 0.00 C ATOM 988 CG TRP P 56 16.566 0.668 -2.256 1.00 0.00 C ATOM 989 CD1 TRP P 56 16.388 0.269 -3.533 1.00 0.00 C ATOM 990 CD2 TRP P 56 17.367 1.889 -2.327 1.00 0.00 C ATOM 991 NE1 TRP P 56 16.998 1.162 -4.392 1.00 0.00 N ATOM 992 CE2 TRP P 56 17.629 2.175 -3.701 1.00 0.00 C ATOM 993 CE3 TRP P 56 17.930 2.765 -1.371 1.00 0.00 C ATOM 994 CZ2 TRP P 56 18.403 3.273 -4.107 1.00 0.00 C ATOM 995 CZ3 TRP P 56 18.712 3.868 -1.767 1.00 0.00 C ATOM 996 CH2 TRP P 56 18.946 4.126 -3.130 1.00 0.00 C ATOM 0 H TRP P 56 15.611 -1.422 0.934 1.00 0.00 H new ATOM 0 HA TRP P 56 17.140 -1.928 -1.387 1.00 0.00 H new ATOM 0 HB2 TRP P 56 15.105 -0.518 -1.283 1.00 0.00 H new ATOM 0 HB3 TRP P 56 15.928 0.622 -0.237 1.00 0.00 H new ATOM 0 HD1 TRP P 56 15.849 -0.616 -3.838 1.00 0.00 H new ATOM 0 HE1 TRP P 56 16.984 1.082 -5.409 1.00 0.00 H new ATOM 0 HE3 TRP P 56 17.758 2.586 -0.320 1.00 0.00 H new ATOM 0 HZ2 TRP P 56 18.579 3.460 -5.156 1.00 0.00 H new ATOM 0 HZ3 TRP P 56 19.135 4.521 -1.018 1.00 0.00 H new ATOM 0 HH2 TRP P 56 19.541 4.977 -3.425 1.00 0.00 H new ATOM 1007 N ARG P 57 18.592 0.066 0.832 1.00 0.00 N ATOM 1008 CA ARG P 57 19.887 0.599 1.305 1.00 0.00 C ATOM 1009 C ARG P 57 20.919 -0.511 1.559 1.00 0.00 C ATOM 1010 O ARG P 57 22.092 -0.349 1.222 1.00 0.00 O ATOM 1011 CB ARG P 57 19.632 1.459 2.557 1.00 0.00 C ATOM 1012 CG ARG P 57 20.887 2.202 3.040 1.00 0.00 C ATOM 1013 CD ARG P 57 20.554 3.116 4.228 1.00 0.00 C ATOM 1014 NE ARG P 57 21.746 3.855 4.694 1.00 0.00 N ATOM 1015 CZ ARG P 57 22.634 3.466 5.594 1.00 0.00 C ATOM 1016 NH1 ARG P 57 22.556 2.316 6.204 1.00 0.00 N ATOM 1017 NH2 ARG P 57 23.636 4.239 5.902 1.00 0.00 N ATOM 0 H ARG P 57 17.820 0.282 1.462 1.00 0.00 H new ATOM 0 HA ARG P 57 20.326 1.221 0.525 1.00 0.00 H new ATOM 0 HB2 ARG P 57 18.848 2.184 2.339 1.00 0.00 H new ATOM 0 HB3 ARG P 57 19.262 0.821 3.360 1.00 0.00 H new ATOM 0 HG2 ARG P 57 21.652 1.482 3.332 1.00 0.00 H new ATOM 0 HG3 ARG P 57 21.301 2.794 2.224 1.00 0.00 H new ATOM 0 HD2 ARG P 57 19.777 3.823 3.938 1.00 0.00 H new ATOM 0 HD3 ARG P 57 20.152 2.519 5.046 1.00 0.00 H new ATOM 0 HE ARG P 57 21.902 4.771 4.273 1.00 0.00 H new ATOM 0 HH11 ARG P 57 21.789 1.678 5.993 1.00 0.00 H new ATOM 0 HH12 ARG P 57 23.262 2.055 6.892 1.00 0.00 H new ATOM 0 HH21 ARG P 57 23.738 5.147 5.449 1.00 0.00 H new ATOM 0 HH22 ARG P 57 24.319 3.936 6.596 1.00 0.00 H new ATOM 1031 N LYS P 58 20.470 -1.664 2.069 1.00 0.00 N ATOM 1032 CA LYS P 58 21.254 -2.910 2.216 1.00 0.00 C ATOM 1033 C LYS P 58 21.492 -3.652 0.884 1.00 0.00 C ATOM 1034 O LYS P 58 22.326 -4.557 0.826 1.00 0.00 O ATOM 1035 CB LYS P 58 20.533 -3.778 3.269 1.00 0.00 C ATOM 1036 CG LYS P 58 21.281 -5.058 3.677 1.00 0.00 C ATOM 1037 CD LYS P 58 20.652 -5.687 4.929 1.00 0.00 C ATOM 1038 CE LYS P 58 21.376 -6.973 5.354 1.00 0.00 C ATOM 1039 NZ LYS P 58 20.944 -8.158 4.566 1.00 0.00 N ATOM 0 H LYS P 58 19.513 -1.765 2.406 1.00 0.00 H new ATOM 0 HA LYS P 58 22.263 -2.669 2.551 1.00 0.00 H new ATOM 0 HB2 LYS P 58 20.363 -3.175 4.161 1.00 0.00 H new ATOM 0 HB3 LYS P 58 19.553 -4.056 2.880 1.00 0.00 H new ATOM 0 HG2 LYS P 58 21.259 -5.774 2.856 1.00 0.00 H new ATOM 0 HG3 LYS P 58 22.328 -4.826 3.869 1.00 0.00 H new ATOM 0 HD2 LYS P 58 20.679 -4.968 5.748 1.00 0.00 H new ATOM 0 HD3 LYS P 58 19.603 -5.909 4.735 1.00 0.00 H new ATOM 0 HE2 LYS P 58 22.451 -6.836 5.238 1.00 0.00 H new ATOM 0 HE3 LYS P 58 21.191 -7.157 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS P 58 21.614 -8.939 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS P 58 19.995 -8.452 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS P 58 20.921 -7.913 3.555 1.00 0.00 H new ATOM 1053 N ARG P 59 20.770 -3.281 -0.186 1.00 0.00 N ATOM 1054 CA ARG P 59 20.687 -3.982 -1.487 1.00 0.00 C ATOM 1055 C ARG P 59 20.350 -5.479 -1.331 1.00 0.00 C ATOM 1056 O ARG P 59 20.846 -6.314 -2.083 1.00 0.00 O ATOM 1057 CB ARG P 59 21.949 -3.690 -2.329 1.00 0.00 C ATOM 1058 CG ARG P 59 22.142 -2.221 -2.744 1.00 0.00 C ATOM 1059 CD ARG P 59 21.108 -1.756 -3.782 1.00 0.00 C ATOM 1060 NE ARG P 59 21.476 -0.453 -4.374 1.00 0.00 N ATOM 1061 CZ ARG P 59 21.185 0.754 -3.922 1.00 0.00 C ATOM 1062 NH1 ARG P 59 20.540 0.954 -2.811 1.00 0.00 N ATOM 1063 NH2 ARG P 59 21.546 1.811 -4.592 1.00 0.00 N ATOM 0 H ARG P 59 20.195 -2.438 -0.170 1.00 0.00 H new ATOM 0 HA ARG P 59 19.842 -3.584 -2.049 1.00 0.00 H new ATOM 0 HB2 ARG P 59 22.824 -4.007 -1.762 1.00 0.00 H new ATOM 0 HB3 ARG P 59 21.913 -4.302 -3.230 1.00 0.00 H new ATOM 0 HG2 ARG P 59 22.074 -1.586 -1.860 1.00 0.00 H new ATOM 0 HG3 ARG P 59 23.144 -2.092 -3.153 1.00 0.00 H new ATOM 0 HD2 ARG P 59 21.023 -2.503 -4.571 1.00 0.00 H new ATOM 0 HD3 ARG P 59 20.129 -1.678 -3.310 1.00 0.00 H new ATOM 0 HE ARG P 59 22.020 -0.490 -5.236 1.00 0.00 H new ATOM 0 HH11 ARG P 59 20.236 0.160 -2.248 1.00 0.00 H new ATOM 0 HH12 ARG P 59 20.338 1.905 -2.503 1.00 0.00 H new ATOM 0 HH21 ARG P 59 22.056 1.709 -5.470 1.00 0.00 H new ATOM 0 HH22 ARG P 59 21.319 2.741 -4.239 1.00 0.00 H new ATOM 1077 N GLU P 60 19.532 -5.803 -0.326 1.00 0.00 N ATOM 1078 CA GLU P 60 19.194 -7.142 0.199 1.00 0.00 C ATOM 1079 C GLU P 60 20.405 -8.019 0.585 1.00 0.00 C ATOM 1080 O GLU P 60 20.649 -8.245 1.770 1.00 0.00 O ATOM 1081 CB GLU P 60 18.179 -7.845 -0.724 1.00 0.00 C ATOM 1082 CG GLU P 60 17.650 -9.152 -0.116 1.00 0.00 C ATOM 1083 CD GLU P 60 16.467 -9.722 -0.924 1.00 0.00 C ATOM 1084 OE1 GLU P 60 16.665 -10.164 -2.082 1.00 0.00 O ATOM 1085 OE2 GLU P 60 15.329 -9.737 -0.394 1.00 0.00 O ATOM 0 H GLU P 60 19.042 -5.074 0.192 1.00 0.00 H new ATOM 0 HA GLU P 60 18.709 -6.981 1.162 1.00 0.00 H new ATOM 0 HB2 GLU P 60 17.343 -7.173 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU P 60 18.650 -8.057 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU P 60 18.454 -9.888 -0.080 1.00 0.00 H new ATOM 0 HG3 GLU P 60 17.335 -8.973 0.912 1.00 0.00 H new ATOM 1092 N GLU P 61 21.176 -8.497 -0.393 1.00 0.00 N ATOM 1093 CA GLU P 61 22.397 -9.312 -0.234 1.00 0.00 C ATOM 1094 C GLU P 61 23.599 -8.751 -1.035 1.00 0.00 C ATOM 1095 O GLU P 61 24.582 -9.451 -1.291 1.00 0.00 O ATOM 1096 CB GLU P 61 22.090 -10.790 -0.542 1.00 0.00 C ATOM 1097 CG GLU P 61 21.632 -11.050 -1.987 1.00 0.00 C ATOM 1098 CD GLU P 61 21.433 -12.559 -2.232 1.00 0.00 C ATOM 1099 OE1 GLU P 61 20.354 -13.102 -1.885 1.00 0.00 O ATOM 1100 OE2 GLU P 61 22.351 -13.221 -2.777 1.00 0.00 O ATOM 0 H GLU P 61 20.959 -8.320 -1.374 1.00 0.00 H new ATOM 0 HA GLU P 61 22.713 -9.255 0.808 1.00 0.00 H new ATOM 0 HB2 GLU P 61 22.982 -11.384 -0.343 1.00 0.00 H new ATOM 0 HB3 GLU P 61 21.316 -11.139 0.141 1.00 0.00 H new ATOM 0 HG2 GLU P 61 20.700 -10.519 -2.179 1.00 0.00 H new ATOM 0 HG3 GLU P 61 22.372 -10.658 -2.685 1.00 0.00 H new ATOM 1107 N PHE P 62 23.512 -7.468 -1.405 1.00 0.00 N ATOM 1108 CA PHE P 62 24.375 -6.727 -2.334 1.00 0.00 C ATOM 1109 C PHE P 62 24.303 -7.195 -3.805 1.00 0.00 C ATOM 1110 O PHE P 62 23.824 -8.288 -4.121 1.00 0.00 O ATOM 1111 CB PHE P 62 25.797 -6.556 -1.769 1.00 0.00 C ATOM 1112 CG PHE P 62 26.502 -5.316 -2.292 1.00 0.00 C ATOM 1113 CD1 PHE P 62 26.094 -4.042 -1.853 1.00 0.00 C ATOM 1114 CD2 PHE P 62 27.532 -5.426 -3.246 1.00 0.00 C ATOM 1115 CE1 PHE P 62 26.703 -2.885 -2.371 1.00 0.00 C ATOM 1116 CE2 PHE P 62 28.141 -4.268 -3.764 1.00 0.00 C ATOM 1117 CZ PHE P 62 27.726 -2.998 -3.328 1.00 0.00 C ATOM 0 H PHE P 62 22.774 -6.871 -1.031 1.00 0.00 H new ATOM 0 HA PHE P 62 23.958 -5.722 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE P 62 25.746 -6.506 -0.681 1.00 0.00 H new ATOM 0 HB3 PHE P 62 26.389 -7.436 -2.020 1.00 0.00 H new ATOM 0 HD1 PHE P 62 25.310 -3.953 -1.115 1.00 0.00 H new ATOM 0 HD2 PHE P 62 27.855 -6.401 -3.581 1.00 0.00 H new ATOM 0 HE1 PHE P 62 26.385 -1.910 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE P 62 28.929 -4.355 -4.498 1.00 0.00 H new ATOM 0 HZ PHE P 62 28.193 -2.110 -3.728 1.00 0.00 H new ATOM 1127 N ILE P 63 24.733 -6.316 -4.717 1.00 0.00 N ATOM 1128 CA ILE P 63 24.558 -6.422 -6.178 1.00 0.00 C ATOM 1129 C ILE P 63 25.884 -6.338 -6.959 1.00 0.00 C ATOM 1130 O ILE P 63 26.946 -6.065 -6.396 1.00 0.00 O ATOM 1131 CB ILE P 63 23.505 -5.386 -6.661 1.00 0.00 C ATOM 1132 CG1 ILE P 63 23.684 -3.932 -6.158 1.00 0.00 C ATOM 1133 CG2 ILE P 63 22.099 -5.858 -6.251 1.00 0.00 C ATOM 1134 CD1 ILE P 63 25.008 -3.264 -6.547 1.00 0.00 C ATOM 0 H ILE P 63 25.236 -5.470 -4.449 1.00 0.00 H new ATOM 0 HA ILE P 63 24.178 -7.420 -6.396 1.00 0.00 H new ATOM 0 HB ILE P 63 23.649 -5.345 -7.741 1.00 0.00 H new ATOM 0 HG12 ILE P 63 22.863 -3.327 -6.544 1.00 0.00 H new ATOM 0 HG13 ILE P 63 23.599 -3.928 -5.071 1.00 0.00 H new ATOM 0 HG21 ILE P 63 21.359 -5.133 -6.589 1.00 0.00 H new ATOM 0 HG22 ILE P 63 21.893 -6.826 -6.707 1.00 0.00 H new ATOM 0 HG23 ILE P 63 22.048 -5.950 -5.166 1.00 0.00 H new ATOM 0 HD11 ILE P 63 25.035 -2.250 -6.148 1.00 0.00 H new ATOM 0 HD12 ILE P 63 25.839 -3.838 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE P 63 25.092 -3.228 -7.633 1.00 0.00 H new ATOM 1146 N VAL P 64 25.826 -6.588 -8.272 1.00 0.00 N ATOM 1147 CA VAL P 64 26.960 -6.499 -9.212 1.00 0.00 C ATOM 1148 C VAL P 64 26.502 -5.957 -10.575 1.00 0.00 C ATOM 1149 O VAL P 64 25.360 -6.175 -10.988 1.00 0.00 O ATOM 1150 CB VAL P 64 27.680 -7.863 -9.319 1.00 0.00 C ATOM 1151 CG1 VAL P 64 26.820 -8.967 -9.952 1.00 0.00 C ATOM 1152 CG2 VAL P 64 29.005 -7.770 -10.085 1.00 0.00 C ATOM 0 H VAL P 64 24.959 -6.868 -8.730 1.00 0.00 H new ATOM 0 HA VAL P 64 27.687 -5.785 -8.826 1.00 0.00 H new ATOM 0 HB VAL P 64 27.879 -8.139 -8.283 1.00 0.00 H new ATOM 0 HG11 VAL P 64 27.391 -9.894 -9.994 1.00 0.00 H new ATOM 0 HG12 VAL P 64 25.924 -9.120 -9.351 1.00 0.00 H new ATOM 0 HG13 VAL P 64 26.534 -8.671 -10.961 1.00 0.00 H new ATOM 0 HG21 VAL P 64 29.469 -8.755 -10.131 1.00 0.00 H new ATOM 0 HG22 VAL P 64 28.816 -7.411 -11.097 1.00 0.00 H new ATOM 0 HG23 VAL P 64 29.673 -7.078 -9.573 1.00 0.00 H new ATOM 1162 N THR P 65 27.381 -5.232 -11.273 1.00 0.00 N ATOM 1163 CA THR P 65 27.138 -4.661 -12.612 1.00 0.00 C ATOM 1164 C THR P 65 28.439 -4.568 -13.430 1.00 0.00 C ATOM 1165 O THR P 65 29.539 -4.624 -12.870 1.00 0.00 O ATOM 1166 CB THR P 65 26.429 -3.298 -12.495 1.00 0.00 C ATOM 1167 OG1 THR P 65 25.951 -2.887 -13.759 1.00 0.00 O ATOM 1168 CG2 THR P 65 27.306 -2.180 -11.925 1.00 0.00 C ATOM 0 H THR P 65 28.312 -5.016 -10.916 1.00 0.00 H new ATOM 0 HA THR P 65 26.476 -5.334 -13.157 1.00 0.00 H new ATOM 0 HB THR P 65 25.612 -3.459 -11.791 1.00 0.00 H new ATOM 0 HG1 THR P 65 25.501 -2.021 -13.673 1.00 0.00 H new ATOM 0 HG21 THR P 65 26.731 -1.255 -11.876 1.00 0.00 H new ATOM 0 HG22 THR P 65 27.639 -2.453 -10.924 1.00 0.00 H new ATOM 0 HG23 THR P 65 28.174 -2.034 -12.569 1.00 0.00 H new ATOM 1176 N ASP P 66 28.321 -4.447 -14.757 1.00 0.00 N ATOM 1177 CA ASP P 66 29.429 -4.376 -15.732 1.00 0.00 C ATOM 1178 C ASP P 66 29.114 -3.445 -16.923 1.00 0.00 C ATOM 1179 O ASP P 66 28.022 -3.569 -17.524 1.00 0.00 O ATOM 1180 CB ASP P 66 29.776 -5.798 -16.221 1.00 0.00 C ATOM 1181 CG ASP P 66 30.950 -5.823 -17.224 1.00 0.00 C ATOM 1182 OD1 ASP P 66 32.119 -5.631 -16.801 1.00 0.00 O ATOM 1183 OD2 ASP P 66 30.718 -6.069 -18.435 1.00 0.00 O ATOM 1184 OXT ASP P 66 29.962 -2.579 -17.238 1.00 0.00 O ATOM 0 H ASP P 66 27.408 -4.393 -15.208 1.00 0.00 H new ATOM 0 HA ASP P 66 30.291 -3.942 -15.225 1.00 0.00 H new ATOM 0 HB2 ASP P 66 30.026 -6.420 -15.362 1.00 0.00 H new ATOM 0 HB3 ASP P 66 28.896 -6.240 -16.689 1.00 0.00 H new TER 1189 ASP P 66