USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 599 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: A 11 ASN : amide:sc= -0.0372 K(o=-0.037,f=-1.3) USER MOD Set 1.2: A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -32:sc= 0.339 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc=-0.00249 X(o=-0.0025,f=-0.085) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 5:sc= 0.759 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -124:sc= 1.06 USER MOD Single : A 31 HIS : no HE2:sc= 0.583 K(o=0.58,f=-3!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.036 USER MOD Single : A 40 MET CE :methyl 178:sc= -0.327 (180deg=-0.335) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0231 K(o=-0.023,f=-2.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00175 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.236!) USER MOD Single : A 64 GLN : amide:sc= 0.571 K(o=0.57,f=-5.2!) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 167:sc= 1.3 USER MOD Single : A 72 ASN : amide:sc= -1.5! C(o=-1.5!,f=-13!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -11.612 -14.409 -5.911 1.00 0.00 N ATOM 2 CA SER A 7 -11.199 -13.641 -7.077 1.00 0.00 C ATOM 3 C SER A 7 -11.445 -12.165 -6.821 1.00 0.00 C ATOM 4 O SER A 7 -12.177 -11.806 -5.891 1.00 0.00 O ATOM 5 CB SER A 7 -11.991 -14.140 -8.281 1.00 0.00 C ATOM 6 OG SER A 7 -13.368 -14.212 -7.962 1.00 0.00 O ATOM 0 HA SER A 7 -10.135 -13.771 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.841 -13.470 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.628 -15.122 -8.583 1.00 0.00 H new ATOM 0 HG SER A 7 -13.473 -14.441 -7.015 1.00 0.00 H new ATOM 12 N GLY A 8 -10.842 -11.314 -7.621 1.00 0.00 N ATOM 13 CA GLY A 8 -11.007 -9.905 -7.441 1.00 0.00 C ATOM 14 C GLY A 8 -11.868 -9.299 -8.506 1.00 0.00 C ATOM 15 O GLY A 8 -11.368 -8.880 -9.544 1.00 0.00 O ATOM 0 H GLY A 8 -10.237 -11.580 -8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.451 -9.714 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.030 -9.422 -7.447 1.00 0.00 H new ATOM 19 N ARG A 9 -13.152 -9.263 -8.267 1.00 0.00 N ATOM 20 CA ARG A 9 -14.060 -8.622 -9.181 1.00 0.00 C ATOM 21 C ARG A 9 -14.581 -7.406 -8.456 1.00 0.00 C ATOM 22 O ARG A 9 -14.518 -7.365 -7.222 1.00 0.00 O ATOM 23 CB ARG A 9 -15.209 -9.539 -9.626 1.00 0.00 C ATOM 24 CG ARG A 9 -16.175 -9.979 -8.535 1.00 0.00 C ATOM 25 CD ARG A 9 -17.314 -10.773 -9.145 1.00 0.00 C ATOM 26 NE ARG A 9 -18.344 -11.140 -8.171 1.00 0.00 N ATOM 27 CZ ARG A 9 -19.611 -11.419 -8.480 1.00 0.00 C ATOM 28 NH1 ARG A 9 -20.045 -11.276 -9.730 1.00 0.00 N ATOM 29 NH2 ARG A 9 -20.450 -11.812 -7.533 1.00 0.00 N ATOM 0 H ARG A 9 -13.594 -9.672 -7.444 1.00 0.00 H new ATOM 0 HA ARG A 9 -13.543 -8.358 -10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.778 -9.025 -10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.779 -10.430 -10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.651 -10.586 -7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.567 -9.107 -8.011 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.770 -10.188 -9.944 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.914 -11.679 -9.601 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.074 -11.185 -7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.408 -10.952 -10.457 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -21.015 -11.491 -9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.127 -11.901 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.419 -12.026 -7.767 1.00 0.00 H new ATOM 43 N GLU A 10 -15.070 -6.430 -9.176 1.00 0.00 N ATOM 44 CA GLU A 10 -15.538 -5.229 -8.548 1.00 0.00 C ATOM 45 C GLU A 10 -16.900 -5.438 -7.915 1.00 0.00 C ATOM 46 O GLU A 10 -17.944 -5.386 -8.572 1.00 0.00 O ATOM 47 CB GLU A 10 -15.560 -4.037 -9.492 1.00 0.00 C ATOM 48 CG GLU A 10 -15.918 -2.756 -8.771 1.00 0.00 C ATOM 49 CD GLU A 10 -15.916 -1.545 -9.655 1.00 0.00 C ATOM 50 OE1 GLU A 10 -14.854 -0.912 -9.800 1.00 0.00 O ATOM 51 OE2 GLU A 10 -16.986 -1.185 -10.200 1.00 0.00 O ATOM 0 H GLU A 10 -15.153 -6.446 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.820 -4.994 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.583 -3.928 -9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.280 -4.218 -10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.905 -2.866 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.213 -2.600 -7.955 1.00 0.00 H new ATOM 58 N ASN A 11 -16.859 -5.760 -6.661 1.00 0.00 N ATOM 59 CA ASN A 11 -18.021 -5.867 -5.823 1.00 0.00 C ATOM 60 C ASN A 11 -17.717 -4.971 -4.656 1.00 0.00 C ATOM 61 O ASN A 11 -16.531 -4.762 -4.350 1.00 0.00 O ATOM 62 CB ASN A 11 -18.240 -7.309 -5.342 1.00 0.00 C ATOM 63 CG ASN A 11 -19.458 -7.454 -4.435 1.00 0.00 C ATOM 64 OD1 ASN A 11 -20.439 -6.718 -4.562 1.00 0.00 O ATOM 65 ND2 ASN A 11 -19.409 -8.391 -3.511 1.00 0.00 N ATOM 0 H ASN A 11 -15.988 -5.964 -6.171 1.00 0.00 H new ATOM 0 HA ASN A 11 -18.931 -5.586 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -18.358 -7.961 -6.207 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -17.353 -7.647 -4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -20.196 -8.523 -2.876 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -18.584 -8.985 -3.430 1.00 0.00 H new ATOM 72 N LEU A 12 -18.719 -4.410 -4.036 1.00 0.00 N ATOM 73 CA LEU A 12 -18.463 -3.551 -2.918 1.00 0.00 C ATOM 74 C LEU A 12 -18.234 -4.395 -1.686 1.00 0.00 C ATOM 75 O LEU A 12 -18.830 -5.461 -1.510 1.00 0.00 O ATOM 76 CB LEU A 12 -19.558 -2.478 -2.727 1.00 0.00 C ATOM 77 CG LEU A 12 -20.974 -2.961 -2.405 1.00 0.00 C ATOM 78 CD1 LEU A 12 -21.186 -3.253 -0.919 1.00 0.00 C ATOM 79 CD2 LEU A 12 -22.017 -2.004 -2.945 1.00 0.00 C ATOM 0 H LEU A 12 -19.702 -4.530 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 12 -17.556 -2.979 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -19.240 -1.812 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -19.606 -1.881 -3.637 1.00 0.00 H new ATOM 0 HG LEU A 12 -21.098 -3.916 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -22.209 -3.591 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.492 -4.030 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -21.008 -2.346 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -23.012 -2.375 -2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -21.876 -1.021 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -21.915 -1.927 -4.027 1.00 0.00 H new ATOM 91 N TYR A 13 -17.343 -3.917 -0.898 1.00 0.00 N ATOM 92 CA TYR A 13 -16.916 -4.490 0.357 1.00 0.00 C ATOM 93 C TYR A 13 -16.525 -3.317 1.207 1.00 0.00 C ATOM 94 O TYR A 13 -16.425 -2.196 0.681 1.00 0.00 O ATOM 95 CB TYR A 13 -15.685 -5.412 0.202 1.00 0.00 C ATOM 96 CG TYR A 13 -15.920 -6.755 -0.465 1.00 0.00 C ATOM 97 CD1 TYR A 13 -16.228 -7.871 0.300 1.00 0.00 C ATOM 98 CD2 TYR A 13 -15.820 -6.915 -1.841 1.00 0.00 C ATOM 99 CE1 TYR A 13 -16.433 -9.104 -0.283 1.00 0.00 C ATOM 100 CE2 TYR A 13 -16.026 -8.147 -2.433 1.00 0.00 C ATOM 101 CZ TYR A 13 -16.331 -9.239 -1.652 1.00 0.00 C ATOM 102 OH TYR A 13 -16.544 -10.470 -2.242 1.00 0.00 O ATOM 0 H TYR A 13 -16.848 -3.052 -1.115 1.00 0.00 H new ATOM 0 HA TYR A 13 -17.714 -5.100 0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.928 -4.876 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -15.268 -5.592 1.193 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.309 -7.772 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -15.577 -6.063 -2.459 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.672 -9.960 0.330 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.948 -8.253 -3.505 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.435 -10.391 -3.213 1.00 0.00 H new ATOM 112 N PHE A 14 -16.324 -3.529 2.484 1.00 0.00 N ATOM 113 CA PHE A 14 -15.854 -2.462 3.328 1.00 0.00 C ATOM 114 C PHE A 14 -14.381 -2.239 2.994 1.00 0.00 C ATOM 115 O PHE A 14 -13.681 -3.173 2.584 1.00 0.00 O ATOM 116 CB PHE A 14 -16.067 -2.805 4.810 1.00 0.00 C ATOM 117 CG PHE A 14 -15.748 -1.680 5.760 1.00 0.00 C ATOM 118 CD1 PHE A 14 -16.488 -0.512 5.733 1.00 0.00 C ATOM 119 CD2 PHE A 14 -14.715 -1.791 6.676 1.00 0.00 C ATOM 120 CE1 PHE A 14 -16.204 0.523 6.596 1.00 0.00 C ATOM 121 CE2 PHE A 14 -14.425 -0.759 7.543 1.00 0.00 C ATOM 122 CZ PHE A 14 -15.170 0.403 7.503 1.00 0.00 C ATOM 0 H PHE A 14 -16.477 -4.420 2.956 1.00 0.00 H new ATOM 0 HA PHE A 14 -16.414 -1.544 3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -17.105 -3.104 4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -15.448 -3.666 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -17.299 -0.410 5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.129 -2.698 6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -16.791 1.429 6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.617 -0.859 8.252 1.00 0.00 H new ATOM 0 HZ PHE A 14 -14.945 1.215 8.179 1.00 0.00 H new ATOM 132 N GLN A 15 -13.922 -1.020 3.120 1.00 0.00 N ATOM 133 CA GLN A 15 -12.559 -0.684 2.797 1.00 0.00 C ATOM 134 C GLN A 15 -11.643 -1.069 3.940 1.00 0.00 C ATOM 135 O GLN A 15 -12.089 -1.554 4.987 1.00 0.00 O ATOM 136 CB GLN A 15 -12.447 0.815 2.542 1.00 0.00 C ATOM 137 CG GLN A 15 -13.236 1.293 1.344 1.00 0.00 C ATOM 138 CD GLN A 15 -13.266 2.799 1.249 1.00 0.00 C ATOM 139 OE1 GLN A 15 -14.170 3.439 1.792 1.00 0.00 O ATOM 140 NE2 GLN A 15 -12.290 3.380 0.594 1.00 0.00 N ATOM 0 H GLN A 15 -14.482 -0.233 3.449 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.263 -1.231 1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.789 1.351 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.397 1.072 2.400 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.799 0.881 0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.256 0.914 1.407 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.561 2.815 0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.260 4.397 0.520 1.00 0.00 H new ATOM 149 N GLY A 16 -10.376 -0.862 3.728 1.00 0.00 N ATOM 150 CA GLY A 16 -9.426 -1.084 4.770 1.00 0.00 C ATOM 151 C GLY A 16 -9.480 0.101 5.692 1.00 0.00 C ATOM 152 O GLY A 16 -9.759 1.223 5.234 1.00 0.00 O ATOM 0 H GLY A 16 -9.981 -0.541 2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.658 -2.001 5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.424 -1.202 4.357 1.00 0.00 H new ATOM 156 N HIS A 17 -9.282 -0.135 6.964 1.00 0.00 N ATOM 157 CA HIS A 17 -9.282 0.925 7.950 1.00 0.00 C ATOM 158 C HIS A 17 -8.101 1.815 7.625 1.00 0.00 C ATOM 159 O HIS A 17 -6.983 1.314 7.465 1.00 0.00 O ATOM 160 CB HIS A 17 -9.170 0.344 9.361 1.00 0.00 C ATOM 161 CG HIS A 17 -10.268 -0.617 9.708 1.00 0.00 C ATOM 162 ND1 HIS A 17 -10.122 -1.987 9.687 1.00 0.00 N ATOM 163 CD2 HIS A 17 -11.547 -0.386 10.089 1.00 0.00 C ATOM 164 CE1 HIS A 17 -11.286 -2.537 10.043 1.00 0.00 C ATOM 165 NE2 HIS A 17 -12.191 -1.605 10.301 1.00 0.00 N ATOM 0 H HIS A 17 -9.116 -1.065 7.349 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.210 1.495 7.921 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.211 -0.164 9.460 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.174 1.161 10.082 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.997 0.588 10.210 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -11.465 -3.600 10.111 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -13.157 -1.749 10.594 1.00 0.00 H new ATOM 173 N MET A 18 -8.357 3.104 7.487 1.00 0.00 N ATOM 174 CA MET A 18 -7.358 4.045 7.013 1.00 0.00 C ATOM 175 C MET A 18 -6.100 4.036 7.867 1.00 0.00 C ATOM 176 O MET A 18 -6.139 4.264 9.083 1.00 0.00 O ATOM 177 CB MET A 18 -7.924 5.456 6.870 1.00 0.00 C ATOM 178 CG MET A 18 -6.936 6.427 6.247 1.00 0.00 C ATOM 179 SD MET A 18 -6.416 5.895 4.603 1.00 0.00 S ATOM 180 CE MET A 18 -5.179 7.140 4.247 1.00 0.00 C ATOM 0 H MET A 18 -9.261 3.527 7.700 1.00 0.00 H new ATOM 0 HA MET A 18 -7.068 3.707 6.018 1.00 0.00 H new ATOM 0 HB2 MET A 18 -8.826 5.420 6.259 1.00 0.00 H new ATOM 0 HB3 MET A 18 -8.219 5.825 7.852 1.00 0.00 H new ATOM 0 HG2 MET A 18 -7.390 7.416 6.182 1.00 0.00 H new ATOM 0 HG3 MET A 18 -6.062 6.520 6.892 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.753 6.958 3.260 1.00 0.00 H new ATOM 0 HE2 MET A 18 -5.640 8.127 4.267 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.389 7.093 4.997 1.00 0.00 H new ATOM 190 N ALA A 19 -5.004 3.751 7.212 1.00 0.00 N ATOM 191 CA ALA A 19 -3.718 3.668 7.830 1.00 0.00 C ATOM 192 C ALA A 19 -3.130 5.058 7.918 1.00 0.00 C ATOM 193 O ALA A 19 -3.286 5.873 7.006 1.00 0.00 O ATOM 194 CB ALA A 19 -2.825 2.751 7.017 1.00 0.00 C ATOM 0 H ALA A 19 -4.987 3.567 6.209 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.804 3.256 8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.844 2.687 7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.270 1.757 6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.718 3.148 6.008 1.00 0.00 H new ATOM 200 N ALA A 20 -2.493 5.325 9.022 1.00 0.00 N ATOM 201 CA ALA A 20 -1.885 6.608 9.272 1.00 0.00 C ATOM 202 C ALA A 20 -0.454 6.594 8.751 1.00 0.00 C ATOM 203 O ALA A 20 0.194 5.546 8.787 1.00 0.00 O ATOM 204 CB ALA A 20 -1.906 6.904 10.764 1.00 0.00 C ATOM 0 H ALA A 20 -2.378 4.655 9.783 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.444 7.389 8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.446 7.875 10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.937 6.918 11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.351 6.132 11.296 1.00 0.00 H new ATOM 210 N PRO A 21 0.046 7.728 8.227 1.00 0.00 N ATOM 211 CA PRO A 21 1.426 7.841 7.742 1.00 0.00 C ATOM 212 C PRO A 21 2.417 7.504 8.864 1.00 0.00 C ATOM 213 O PRO A 21 2.487 8.190 9.888 1.00 0.00 O ATOM 214 CB PRO A 21 1.538 9.313 7.317 1.00 0.00 C ATOM 215 CG PRO A 21 0.408 9.997 7.997 1.00 0.00 C ATOM 216 CD PRO A 21 -0.692 8.989 8.055 1.00 0.00 C ATOM 0 HA PRO A 21 1.656 7.155 6.927 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.495 9.739 7.618 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.469 9.418 6.234 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.692 10.325 8.997 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.098 10.885 7.446 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -1.373 9.178 8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.291 8.988 7.145 1.00 0.00 H new ATOM 224 N ALA A 22 3.169 6.442 8.681 1.00 0.00 N ATOM 225 CA ALA A 22 4.037 5.953 9.741 1.00 0.00 C ATOM 226 C ALA A 22 5.476 5.744 9.305 1.00 0.00 C ATOM 227 O ALA A 22 6.253 5.082 9.977 1.00 0.00 O ATOM 228 CB ALA A 22 3.444 4.686 10.302 1.00 0.00 C ATOM 0 H ALA A 22 3.201 5.901 7.817 1.00 0.00 H new ATOM 0 HA ALA A 22 4.088 6.722 10.512 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.084 4.306 11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.452 4.895 10.702 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.367 3.939 9.512 1.00 0.00 H new ATOM 234 N ARG A 23 5.827 6.388 8.227 1.00 0.00 N ATOM 235 CA ARG A 23 7.162 6.351 7.620 1.00 0.00 C ATOM 236 C ARG A 23 7.572 4.954 7.062 1.00 0.00 C ATOM 237 O ARG A 23 8.751 4.641 6.867 1.00 0.00 O ATOM 238 CB ARG A 23 8.219 6.970 8.560 1.00 0.00 C ATOM 239 CG ARG A 23 9.542 7.276 7.874 1.00 0.00 C ATOM 240 CD ARG A 23 10.522 7.998 8.779 1.00 0.00 C ATOM 241 NE ARG A 23 10.000 9.294 9.222 1.00 0.00 N ATOM 242 CZ ARG A 23 10.546 10.483 8.952 1.00 0.00 C ATOM 243 NH1 ARG A 23 11.538 10.593 8.072 1.00 0.00 N ATOM 244 NH2 ARG A 23 10.045 11.575 9.517 1.00 0.00 N ATOM 0 H ARG A 23 5.176 6.982 7.713 1.00 0.00 H new ATOM 0 HA ARG A 23 7.112 6.980 6.731 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.819 7.890 8.986 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.399 6.287 9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.991 6.344 7.530 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.355 7.885 6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.739 7.377 9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.463 8.147 8.250 1.00 0.00 H new ATOM 0 HE ARG A 23 9.148 9.288 9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.890 9.763 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.946 11.507 7.875 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.250 11.502 10.151 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.455 12.487 9.317 1.00 0.00 H new ATOM 258 N SER A 24 6.605 4.133 6.714 1.00 0.00 N ATOM 259 CA SER A 24 6.872 2.866 6.040 1.00 0.00 C ATOM 260 C SER A 24 5.649 2.455 5.241 1.00 0.00 C ATOM 261 O SER A 24 4.541 2.654 5.716 1.00 0.00 O ATOM 262 CB SER A 24 7.235 1.767 7.040 1.00 0.00 C ATOM 263 OG SER A 24 8.459 2.043 7.708 1.00 0.00 O ATOM 0 H SER A 24 5.616 4.316 6.885 1.00 0.00 H new ATOM 0 HA SER A 24 7.723 3.003 5.373 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.436 1.665 7.774 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.313 0.813 6.519 1.00 0.00 H new ATOM 0 HG SER A 24 8.784 2.928 7.442 1.00 0.00 H new ATOM 269 N CYS A 25 5.846 1.896 4.062 1.00 0.00 N ATOM 270 CA CYS A 25 4.759 1.423 3.238 1.00 0.00 C ATOM 271 C CYS A 25 4.801 -0.073 3.284 1.00 0.00 C ATOM 272 O CYS A 25 5.857 -0.679 3.150 1.00 0.00 O ATOM 273 CB CYS A 25 4.895 1.897 1.792 1.00 0.00 C ATOM 274 SG CYS A 25 4.658 3.683 1.565 1.00 0.00 S ATOM 0 H CYS A 25 6.769 1.758 3.651 1.00 0.00 H new ATOM 0 HA CYS A 25 3.814 1.816 3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.884 1.624 1.424 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.168 1.365 1.178 1.00 0.00 H new ATOM 279 N VAL A 26 3.678 -0.661 3.529 1.00 0.00 N ATOM 280 CA VAL A 26 3.583 -2.083 3.683 1.00 0.00 C ATOM 281 C VAL A 26 2.803 -2.594 2.520 1.00 0.00 C ATOM 282 O VAL A 26 1.691 -2.141 2.274 1.00 0.00 O ATOM 283 CB VAL A 26 2.865 -2.422 4.991 1.00 0.00 C ATOM 284 CG1 VAL A 26 3.120 -3.829 5.430 1.00 0.00 C ATOM 285 CG2 VAL A 26 3.315 -1.490 6.032 1.00 0.00 C ATOM 0 H VAL A 26 2.790 -0.169 3.630 1.00 0.00 H new ATOM 0 HA VAL A 26 4.572 -2.540 3.718 1.00 0.00 H new ATOM 0 HB VAL A 26 1.792 -2.327 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.589 -4.021 6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.768 -4.519 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.189 -3.974 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.810 -1.721 6.970 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.392 -1.587 6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.077 -0.469 5.734 1.00 0.00 H new ATOM 295 N TYR A 27 3.401 -3.494 1.807 1.00 0.00 N ATOM 296 CA TYR A 27 2.835 -4.002 0.596 1.00 0.00 C ATOM 297 C TYR A 27 2.056 -5.255 0.880 1.00 0.00 C ATOM 298 O TYR A 27 2.487 -6.115 1.658 1.00 0.00 O ATOM 299 CB TYR A 27 3.926 -4.197 -0.467 1.00 0.00 C ATOM 300 CG TYR A 27 4.577 -2.879 -0.855 1.00 0.00 C ATOM 301 CD1 TYR A 27 4.255 -2.234 -2.041 1.00 0.00 C ATOM 302 CD2 TYR A 27 5.484 -2.260 -0.008 1.00 0.00 C ATOM 303 CE1 TYR A 27 4.826 -1.013 -2.360 1.00 0.00 C ATOM 304 CE2 TYR A 27 6.052 -1.050 -0.323 1.00 0.00 C ATOM 305 CZ TYR A 27 5.720 -0.429 -1.498 1.00 0.00 C ATOM 306 OH TYR A 27 6.283 0.785 -1.814 1.00 0.00 O ATOM 0 H TYR A 27 4.304 -3.901 2.050 1.00 0.00 H new ATOM 0 HA TYR A 27 2.132 -3.278 0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.686 -4.880 -0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.492 -4.663 -1.352 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.552 -2.689 -2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.750 -2.741 0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.568 -0.521 -3.286 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.758 -0.590 0.353 1.00 0.00 H new ATOM 0 HH TYR A 27 6.893 1.059 -1.098 1.00 0.00 H new ATOM 316 N TYR A 28 0.893 -5.316 0.298 1.00 0.00 N ATOM 317 CA TYR A 28 -0.012 -6.400 0.446 1.00 0.00 C ATOM 318 C TYR A 28 -0.410 -6.886 -0.922 1.00 0.00 C ATOM 319 O TYR A 28 -0.482 -6.107 -1.865 1.00 0.00 O ATOM 320 CB TYR A 28 -1.294 -5.960 1.151 1.00 0.00 C ATOM 321 CG TYR A 28 -1.176 -5.503 2.590 1.00 0.00 C ATOM 322 CD1 TYR A 28 -1.629 -6.306 3.629 1.00 0.00 C ATOM 323 CD2 TYR A 28 -0.649 -4.266 2.916 1.00 0.00 C ATOM 324 CE1 TYR A 28 -1.566 -5.890 4.940 1.00 0.00 C ATOM 325 CE2 TYR A 28 -0.571 -3.855 4.218 1.00 0.00 C ATOM 326 CZ TYR A 28 -1.028 -4.655 5.228 1.00 0.00 C ATOM 327 OH TYR A 28 -0.970 -4.197 6.528 1.00 0.00 O ATOM 0 H TYR A 28 0.543 -4.579 -0.315 1.00 0.00 H new ATOM 0 HA TYR A 28 0.483 -7.174 1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.733 -5.146 0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.999 -6.791 1.118 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.040 -7.279 3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.294 -3.615 2.131 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.934 -6.524 5.733 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.145 -2.890 4.450 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.431 -3.335 6.592 1.00 0.00 H new ATOM 337 N ASP A 29 -0.632 -8.156 -1.015 1.00 0.00 N ATOM 338 CA ASP A 29 -1.158 -8.772 -2.215 1.00 0.00 C ATOM 339 C ASP A 29 -2.630 -8.913 -1.950 1.00 0.00 C ATOM 340 O ASP A 29 -3.019 -9.696 -1.090 1.00 0.00 O ATOM 341 CB ASP A 29 -0.537 -10.154 -2.372 1.00 0.00 C ATOM 342 CG ASP A 29 -0.982 -10.955 -3.596 1.00 0.00 C ATOM 343 OD1 ASP A 29 -0.134 -11.593 -4.249 1.00 0.00 O ATOM 344 OD2 ASP A 29 -2.182 -10.984 -3.931 1.00 0.00 O ATOM 0 H ASP A 29 -0.455 -8.814 -0.256 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.949 -8.197 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.546 -10.041 -2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.765 -10.736 -1.479 1.00 0.00 H new ATOM 349 N GLY A 30 -3.441 -8.118 -2.579 1.00 0.00 N ATOM 350 CA GLY A 30 -4.836 -8.241 -2.317 1.00 0.00 C ATOM 351 C GLY A 30 -5.720 -7.607 -3.329 1.00 0.00 C ATOM 352 O GLY A 30 -5.593 -6.430 -3.673 1.00 0.00 O ATOM 0 H GLY A 30 -3.172 -7.402 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.086 -9.300 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.048 -7.800 -1.343 1.00 0.00 H new ATOM 356 N HIS A 31 -6.647 -8.410 -3.758 1.00 0.00 N ATOM 357 CA HIS A 31 -7.671 -8.029 -4.706 1.00 0.00 C ATOM 358 C HIS A 31 -8.665 -7.142 -3.984 1.00 0.00 C ATOM 359 O HIS A 31 -9.246 -6.218 -4.551 1.00 0.00 O ATOM 360 CB HIS A 31 -8.432 -9.260 -5.205 1.00 0.00 C ATOM 361 CG HIS A 31 -7.622 -10.321 -5.887 1.00 0.00 C ATOM 362 ND1 HIS A 31 -7.762 -11.665 -5.624 1.00 0.00 N ATOM 363 CD2 HIS A 31 -6.695 -10.230 -6.871 1.00 0.00 C ATOM 364 CE1 HIS A 31 -6.943 -12.337 -6.433 1.00 0.00 C ATOM 365 NE2 HIS A 31 -6.267 -11.510 -7.214 1.00 0.00 N ATOM 0 H HIS A 31 -6.721 -9.381 -3.453 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.204 -7.523 -5.551 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.940 -9.714 -4.354 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.205 -8.925 -5.896 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -8.385 -12.076 -4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -6.344 -9.312 -7.318 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -6.844 -13.412 -6.449 1.00 0.00 H new ATOM 373 N LEU A 32 -8.853 -7.458 -2.719 1.00 0.00 N ATOM 374 CA LEU A 32 -9.750 -6.748 -1.844 1.00 0.00 C ATOM 375 C LEU A 32 -8.924 -6.437 -0.625 1.00 0.00 C ATOM 376 O LEU A 32 -7.947 -7.153 -0.365 1.00 0.00 O ATOM 377 CB LEU A 32 -10.891 -7.656 -1.351 1.00 0.00 C ATOM 378 CG LEU A 32 -11.626 -8.487 -2.386 1.00 0.00 C ATOM 379 CD1 LEU A 32 -12.647 -9.391 -1.718 1.00 0.00 C ATOM 380 CD2 LEU A 32 -12.272 -7.629 -3.467 1.00 0.00 C ATOM 0 H LEU A 32 -8.373 -8.235 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.174 -5.886 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.480 -8.336 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.623 -7.029 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.885 -9.111 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.164 -9.979 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.141 -10.060 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.371 -8.783 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.785 -8.271 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.990 -6.948 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.503 -7.053 -3.982 1.00 0.00 H new ATOM 392 N PRO A 33 -9.298 -5.425 0.159 1.00 0.00 N ATOM 393 CA PRO A 33 -8.618 -5.133 1.420 1.00 0.00 C ATOM 394 C PRO A 33 -8.905 -6.225 2.461 1.00 0.00 C ATOM 395 O PRO A 33 -8.310 -6.256 3.532 1.00 0.00 O ATOM 396 CB PRO A 33 -9.232 -3.802 1.862 1.00 0.00 C ATOM 397 CG PRO A 33 -10.556 -3.749 1.182 1.00 0.00 C ATOM 398 CD PRO A 33 -10.366 -4.442 -0.132 1.00 0.00 C ATOM 0 HA PRO A 33 -7.534 -5.090 1.313 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.342 -3.758 2.946 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.604 -2.960 1.571 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.322 -4.244 1.778 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.881 -2.719 1.038 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.282 -4.929 -0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.070 -3.745 -0.916 1.00 0.00 H new ATOM 406 N ALA A 34 -9.801 -7.141 2.117 1.00 0.00 N ATOM 407 CA ALA A 34 -10.181 -8.196 3.036 1.00 0.00 C ATOM 408 C ALA A 34 -9.291 -9.421 2.854 1.00 0.00 C ATOM 409 O ALA A 34 -8.747 -9.964 3.810 1.00 0.00 O ATOM 410 CB ALA A 34 -11.646 -8.568 2.834 1.00 0.00 C ATOM 0 H ALA A 34 -10.273 -7.172 1.213 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.049 -7.829 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.919 -9.361 3.530 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.272 -7.694 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.796 -8.915 1.812 1.00 0.00 H new ATOM 416 N THR A 35 -9.105 -9.815 1.613 1.00 0.00 N ATOM 417 CA THR A 35 -8.387 -11.023 1.261 1.00 0.00 C ATOM 418 C THR A 35 -6.902 -10.771 0.975 1.00 0.00 C ATOM 419 O THR A 35 -6.232 -11.583 0.326 1.00 0.00 O ATOM 420 CB THR A 35 -9.068 -11.591 0.011 1.00 0.00 C ATOM 421 OG1 THR A 35 -9.260 -10.513 -0.923 1.00 0.00 O ATOM 422 CG2 THR A 35 -10.415 -12.196 0.353 1.00 0.00 C ATOM 0 H THR A 35 -9.454 -9.297 0.806 1.00 0.00 H new ATOM 0 HA THR A 35 -8.419 -11.717 2.101 1.00 0.00 H new ATOM 0 HB THR A 35 -8.440 -12.374 -0.415 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.694 -10.855 -1.733 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.876 -12.592 -0.552 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.279 -13.003 1.073 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.059 -11.430 0.784 1.00 0.00 H new ATOM 430 N ARG A 36 -6.384 -9.677 1.488 1.00 0.00 N ATOM 431 CA ARG A 36 -5.008 -9.278 1.231 1.00 0.00 C ATOM 432 C ARG A 36 -3.997 -10.092 2.052 1.00 0.00 C ATOM 433 O ARG A 36 -4.349 -10.701 3.066 1.00 0.00 O ATOM 434 CB ARG A 36 -4.852 -7.783 1.464 1.00 0.00 C ATOM 435 CG ARG A 36 -5.163 -7.348 2.877 1.00 0.00 C ATOM 436 CD ARG A 36 -5.071 -5.850 2.999 1.00 0.00 C ATOM 437 NE ARG A 36 -5.265 -5.420 4.371 1.00 0.00 N ATOM 438 CZ ARG A 36 -4.992 -4.209 4.833 1.00 0.00 C ATOM 439 NH1 ARG A 36 -4.646 -3.239 3.992 1.00 0.00 N ATOM 440 NH2 ARG A 36 -5.100 -3.960 6.128 1.00 0.00 N ATOM 0 H ARG A 36 -6.898 -9.037 2.094 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.785 -9.494 0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.830 -7.492 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.507 -7.248 0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.163 -7.681 3.155 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.466 -7.819 3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.097 -5.513 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.821 -5.384 2.360 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.640 -6.102 5.030 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.591 -3.427 2.991 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.436 -2.306 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.393 -4.699 6.767 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.891 -3.029 6.487 1.00 0.00 H new ATOM 454 N VAL A 37 -2.750 -10.088 1.604 1.00 0.00 N ATOM 455 CA VAL A 37 -1.679 -10.865 2.203 1.00 0.00 C ATOM 456 C VAL A 37 -0.521 -9.923 2.490 1.00 0.00 C ATOM 457 O VAL A 37 -0.167 -9.121 1.630 1.00 0.00 O ATOM 458 CB VAL A 37 -1.180 -11.976 1.232 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.113 -12.847 1.878 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.326 -12.840 0.719 1.00 0.00 C ATOM 0 H VAL A 37 -2.451 -9.535 0.801 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.049 -11.339 3.112 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.735 -11.465 0.378 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.211 -13.611 1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.739 -12.229 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.524 -13.326 2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.934 -13.602 0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.824 -13.321 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.041 -12.215 0.184 1.00 0.00 H new ATOM 470 N LEU A 38 0.046 -10.012 3.675 1.00 0.00 N ATOM 471 CA LEU A 38 1.154 -9.164 4.094 1.00 0.00 C ATOM 472 C LEU A 38 2.410 -9.611 3.341 1.00 0.00 C ATOM 473 O LEU A 38 2.885 -10.737 3.524 1.00 0.00 O ATOM 474 CB LEU A 38 1.319 -9.313 5.627 1.00 0.00 C ATOM 475 CG LEU A 38 2.238 -8.341 6.403 1.00 0.00 C ATOM 476 CD1 LEU A 38 3.715 -8.473 6.054 1.00 0.00 C ATOM 477 CD2 LEU A 38 1.774 -6.913 6.221 1.00 0.00 C ATOM 0 H LEU A 38 -0.249 -10.681 4.386 1.00 0.00 H new ATOM 0 HA LEU A 38 0.974 -8.113 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.325 -9.242 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.681 -10.323 5.818 1.00 0.00 H new ATOM 0 HG LEU A 38 2.154 -8.623 7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.293 -7.758 6.640 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.053 -9.484 6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.857 -8.271 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.432 -6.243 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.799 -6.654 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.755 -6.811 6.595 1.00 0.00 H new ATOM 489 N LEU A 39 2.912 -8.767 2.459 1.00 0.00 N ATOM 490 CA LEU A 39 4.101 -9.098 1.696 1.00 0.00 C ATOM 491 C LEU A 39 5.374 -8.636 2.381 1.00 0.00 C ATOM 492 O LEU A 39 6.200 -9.452 2.768 1.00 0.00 O ATOM 493 CB LEU A 39 4.036 -8.491 0.297 1.00 0.00 C ATOM 494 CG LEU A 39 2.905 -8.985 -0.590 1.00 0.00 C ATOM 495 CD1 LEU A 39 2.915 -8.236 -1.902 1.00 0.00 C ATOM 496 CD2 LEU A 39 3.053 -10.469 -0.832 1.00 0.00 C ATOM 0 H LEU A 39 2.516 -7.850 2.253 1.00 0.00 H new ATOM 0 HA LEU A 39 4.128 -10.185 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.948 -7.409 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.981 -8.690 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 39 1.953 -8.804 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.102 -8.595 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.784 -7.170 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.866 -8.401 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.239 -10.817 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.006 -10.664 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.020 -10.998 0.120 1.00 0.00 H new ATOM 508 N MET A 40 5.502 -7.334 2.573 1.00 0.00 N ATOM 509 CA MET A 40 6.731 -6.760 3.122 1.00 0.00 C ATOM 510 C MET A 40 6.537 -5.306 3.476 1.00 0.00 C ATOM 511 O MET A 40 5.619 -4.653 2.981 1.00 0.00 O ATOM 512 CB MET A 40 7.867 -6.877 2.092 1.00 0.00 C ATOM 513 CG MET A 40 9.058 -7.689 2.577 1.00 0.00 C ATOM 514 SD MET A 40 10.252 -8.055 1.269 1.00 0.00 S ATOM 515 CE MET A 40 10.908 -6.422 0.926 1.00 0.00 C ATOM 0 H MET A 40 4.775 -6.651 2.359 1.00 0.00 H new ATOM 0 HA MET A 40 6.987 -7.312 4.026 1.00 0.00 H new ATOM 0 HB2 MET A 40 7.475 -7.333 1.183 1.00 0.00 H new ATOM 0 HB3 MET A 40 8.207 -5.876 1.825 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.560 -7.143 3.376 1.00 0.00 H new ATOM 0 HG3 MET A 40 8.701 -8.625 3.006 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.683 -6.494 0.163 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.106 -5.775 0.569 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.334 -6.002 1.837 1.00 0.00 H new ATOM 525 N TYR A 41 7.406 -4.828 4.332 1.00 0.00 N ATOM 526 CA TYR A 41 7.431 -3.447 4.782 1.00 0.00 C ATOM 527 C TYR A 41 8.584 -2.754 4.079 1.00 0.00 C ATOM 528 O TYR A 41 9.643 -3.355 3.903 1.00 0.00 O ATOM 529 CB TYR A 41 7.704 -3.376 6.291 1.00 0.00 C ATOM 530 CG TYR A 41 6.691 -4.027 7.210 1.00 0.00 C ATOM 531 CD1 TYR A 41 5.873 -3.258 8.027 1.00 0.00 C ATOM 532 CD2 TYR A 41 6.568 -5.408 7.280 1.00 0.00 C ATOM 533 CE1 TYR A 41 4.966 -3.849 8.887 1.00 0.00 C ATOM 534 CE2 TYR A 41 5.663 -6.002 8.129 1.00 0.00 C ATOM 535 CZ TYR A 41 4.867 -5.221 8.931 1.00 0.00 C ATOM 536 OH TYR A 41 3.974 -5.819 9.787 1.00 0.00 O ATOM 0 H TYR A 41 8.139 -5.401 4.750 1.00 0.00 H new ATOM 0 HA TYR A 41 6.471 -2.980 4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.675 -3.834 6.480 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.787 -2.326 6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.946 -2.181 7.990 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.195 -6.028 6.656 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.339 -3.238 9.520 1.00 0.00 H new ATOM 0 HE2 TYR A 41 5.579 -7.078 8.165 1.00 0.00 H new ATOM 0 HH TYR A 41 4.031 -6.793 9.691 1.00 0.00 H new ATOM 546 N VAL A 42 8.376 -1.542 3.632 1.00 0.00 N ATOM 547 CA VAL A 42 9.424 -0.765 3.008 1.00 0.00 C ATOM 548 C VAL A 42 9.462 0.610 3.651 1.00 0.00 C ATOM 549 O VAL A 42 8.469 1.337 3.633 1.00 0.00 O ATOM 550 CB VAL A 42 9.220 -0.594 1.487 1.00 0.00 C ATOM 551 CG1 VAL A 42 10.422 0.096 0.857 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.985 -1.931 0.825 1.00 0.00 C ATOM 0 H VAL A 42 7.477 -1.063 3.689 1.00 0.00 H new ATOM 0 HA VAL A 42 10.360 -1.304 3.154 1.00 0.00 H new ATOM 0 HB VAL A 42 8.339 0.030 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.258 0.207 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.554 1.080 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.316 -0.504 1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.844 -1.787 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.847 -2.577 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.095 -2.395 1.249 1.00 0.00 H new ATOM 562 N ARG A 43 10.582 0.939 4.248 1.00 0.00 N ATOM 563 CA ARG A 43 10.814 2.226 4.864 1.00 0.00 C ATOM 564 C ARG A 43 10.757 3.302 3.791 1.00 0.00 C ATOM 565 O ARG A 43 11.306 3.126 2.709 1.00 0.00 O ATOM 566 CB ARG A 43 12.167 2.164 5.610 1.00 0.00 C ATOM 567 CG ARG A 43 12.721 3.456 6.213 1.00 0.00 C ATOM 568 CD ARG A 43 13.561 4.245 5.215 1.00 0.00 C ATOM 569 NE ARG A 43 14.151 5.440 5.814 1.00 0.00 N ATOM 570 CZ ARG A 43 14.957 6.311 5.186 1.00 0.00 C ATOM 571 NH1 ARG A 43 15.324 6.113 3.918 1.00 0.00 N ATOM 572 NH2 ARG A 43 15.408 7.374 5.837 1.00 0.00 N ATOM 0 H ARG A 43 11.378 0.305 4.321 1.00 0.00 H new ATOM 0 HA ARG A 43 10.049 2.478 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.070 1.436 6.415 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.912 1.774 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.895 4.076 6.560 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.328 3.216 7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.354 3.607 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.939 4.534 4.368 1.00 0.00 H new ATOM 0 HE ARG A 43 13.932 5.628 6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.992 5.291 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.937 6.783 3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.142 7.527 6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.021 8.039 5.365 1.00 0.00 H new ATOM 586 N ILE A 44 10.045 4.369 4.079 1.00 0.00 N ATOM 587 CA ILE A 44 9.907 5.490 3.121 1.00 0.00 C ATOM 588 C ILE A 44 11.273 6.065 2.797 1.00 0.00 C ATOM 589 O ILE A 44 11.981 6.547 3.682 1.00 0.00 O ATOM 590 CB ILE A 44 9.058 6.655 3.669 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.726 6.160 4.182 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.850 7.738 2.611 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.716 5.653 3.192 1.00 0.00 C ATOM 0 H ILE A 44 9.547 4.502 4.959 1.00 0.00 H new ATOM 0 HA ILE A 44 9.414 5.070 2.244 1.00 0.00 H new ATOM 0 HB ILE A 44 9.607 7.095 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.923 5.358 4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.263 6.974 4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.248 8.544 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.817 8.132 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.337 7.311 1.749 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.817 5.336 3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.464 6.448 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.134 4.807 2.647 1.00 0.00 H new ATOM 605 N GLY A 45 11.610 6.023 1.541 1.00 0.00 N ATOM 606 CA GLY A 45 12.880 6.519 1.082 1.00 0.00 C ATOM 607 C GLY A 45 13.799 5.376 0.758 1.00 0.00 C ATOM 608 O GLY A 45 14.971 5.564 0.446 1.00 0.00 O ATOM 0 H GLY A 45 11.015 5.645 0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.737 7.142 0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.330 7.151 1.848 1.00 0.00 H new ATOM 612 N ASN A 46 13.273 4.180 0.874 1.00 0.00 N ATOM 613 CA ASN A 46 14.021 2.988 0.581 1.00 0.00 C ATOM 614 C ASN A 46 13.362 2.236 -0.548 1.00 0.00 C ATOM 615 O ASN A 46 12.182 2.439 -0.862 1.00 0.00 O ATOM 616 CB ASN A 46 14.115 2.120 1.823 1.00 0.00 C ATOM 617 CG ASN A 46 14.961 0.860 1.683 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.933 0.835 0.926 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.623 -0.181 2.409 1.00 0.00 N ATOM 0 H ASN A 46 12.313 4.009 1.175 1.00 0.00 H new ATOM 0 HA ASN A 46 15.031 3.260 0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.523 2.722 2.635 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.107 1.828 2.118 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.171 -1.040 2.355 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.813 -0.131 3.027 1.00 0.00 H new ATOM 626 N THR A 47 14.129 1.397 -1.155 1.00 0.00 N ATOM 627 CA THR A 47 13.686 0.559 -2.225 1.00 0.00 C ATOM 628 C THR A 47 13.583 -0.864 -1.727 1.00 0.00 C ATOM 629 O THR A 47 14.211 -1.227 -0.732 1.00 0.00 O ATOM 630 CB THR A 47 14.667 0.601 -3.402 1.00 0.00 C ATOM 631 OG1 THR A 47 16.017 0.430 -2.921 1.00 0.00 O ATOM 632 CG2 THR A 47 14.554 1.896 -4.188 1.00 0.00 C ATOM 0 H THR A 47 15.112 1.268 -0.916 1.00 0.00 H new ATOM 0 HA THR A 47 12.716 0.920 -2.566 1.00 0.00 H new ATOM 0 HB THR A 47 14.412 -0.216 -4.077 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.640 0.456 -3.677 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.266 1.884 -5.013 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.543 1.995 -4.583 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.771 2.739 -3.533 1.00 0.00 H new ATOM 640 N ALA A 48 12.787 -1.648 -2.391 1.00 0.00 N ATOM 641 CA ALA A 48 12.669 -3.059 -2.038 1.00 0.00 C ATOM 642 C ALA A 48 12.232 -3.907 -3.214 1.00 0.00 C ATOM 643 O ALA A 48 11.426 -3.471 -4.036 1.00 0.00 O ATOM 644 CB ALA A 48 11.721 -3.272 -0.869 1.00 0.00 C ATOM 0 H ALA A 48 12.208 -1.352 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 48 13.667 -3.379 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.661 -4.336 -0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.091 -2.732 0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.730 -2.902 -1.132 1.00 0.00 H new ATOM 650 N THR A 49 12.776 -5.098 -3.287 1.00 0.00 N ATOM 651 CA THR A 49 12.415 -6.067 -4.288 1.00 0.00 C ATOM 652 C THR A 49 11.339 -6.966 -3.677 1.00 0.00 C ATOM 653 O THR A 49 11.619 -7.767 -2.787 1.00 0.00 O ATOM 654 CB THR A 49 13.653 -6.905 -4.679 1.00 0.00 C ATOM 655 OG1 THR A 49 14.734 -6.019 -5.025 1.00 0.00 O ATOM 656 CG2 THR A 49 13.350 -7.807 -5.868 1.00 0.00 C ATOM 0 H THR A 49 13.494 -5.424 -2.640 1.00 0.00 H new ATOM 0 HA THR A 49 12.042 -5.579 -5.188 1.00 0.00 H new ATOM 0 HB THR A 49 13.929 -7.530 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.522 -6.546 -5.272 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.238 -8.385 -6.122 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.536 -8.486 -5.612 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.058 -7.197 -6.723 1.00 0.00 H new ATOM 664 N ILE A 50 10.112 -6.791 -4.108 1.00 0.00 N ATOM 665 CA ILE A 50 8.980 -7.530 -3.569 1.00 0.00 C ATOM 666 C ILE A 50 8.692 -8.700 -4.460 1.00 0.00 C ATOM 667 O ILE A 50 8.275 -8.501 -5.580 1.00 0.00 O ATOM 668 CB ILE A 50 7.684 -6.676 -3.604 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.911 -5.266 -3.070 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.549 -7.364 -2.846 1.00 0.00 C ATOM 671 CD1 ILE A 50 8.378 -5.223 -1.647 1.00 0.00 C ATOM 0 H ILE A 50 9.863 -6.131 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 50 9.237 -7.816 -2.549 1.00 0.00 H new ATOM 0 HB ILE A 50 7.394 -6.585 -4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.647 -4.764 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.982 -4.702 -3.154 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.654 -6.743 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.340 -8.331 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.842 -7.509 -1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.517 -4.186 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.634 -5.694 -1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 50 9.324 -5.757 -1.558 1.00 0.00 H new ATOM 683 N THR A 51 8.927 -9.895 -4.024 1.00 0.00 N ATOM 684 CA THR A 51 8.488 -10.984 -4.845 1.00 0.00 C ATOM 685 C THR A 51 7.109 -11.395 -4.337 1.00 0.00 C ATOM 686 O THR A 51 6.935 -11.710 -3.158 1.00 0.00 O ATOM 687 CB THR A 51 9.473 -12.160 -4.794 1.00 0.00 C ATOM 688 OG1 THR A 51 10.796 -11.635 -4.973 1.00 0.00 O ATOM 689 CG2 THR A 51 9.191 -13.148 -5.918 1.00 0.00 C ATOM 0 H THR A 51 9.395 -10.140 -3.151 1.00 0.00 H new ATOM 0 HA THR A 51 8.439 -10.678 -5.890 1.00 0.00 H new ATOM 0 HB THR A 51 9.371 -12.675 -3.839 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.446 -12.368 -4.943 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.901 -13.974 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.177 -13.534 -5.817 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.294 -12.645 -6.879 1.00 0.00 H new ATOM 697 N ALA A 52 6.153 -11.372 -5.230 1.00 0.00 N ATOM 698 CA ALA A 52 4.785 -11.732 -4.950 1.00 0.00 C ATOM 699 C ALA A 52 4.264 -12.457 -6.165 1.00 0.00 C ATOM 700 O ALA A 52 4.429 -11.972 -7.288 1.00 0.00 O ATOM 701 CB ALA A 52 3.955 -10.489 -4.668 1.00 0.00 C ATOM 0 H ALA A 52 6.308 -11.095 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 52 4.723 -12.367 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.925 -10.779 -4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.367 -9.964 -3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.977 -9.832 -5.537 1.00 0.00 H new ATOM 707 N ARG A 53 3.703 -13.636 -5.944 1.00 0.00 N ATOM 708 CA ARG A 53 3.181 -14.531 -6.991 1.00 0.00 C ATOM 709 C ARG A 53 4.280 -14.903 -7.991 1.00 0.00 C ATOM 710 O ARG A 53 4.018 -15.267 -9.145 1.00 0.00 O ATOM 711 CB ARG A 53 1.968 -13.919 -7.702 1.00 0.00 C ATOM 712 CG ARG A 53 0.845 -13.537 -6.756 1.00 0.00 C ATOM 713 CD ARG A 53 -0.358 -13.012 -7.504 1.00 0.00 C ATOM 714 NE ARG A 53 -1.381 -12.495 -6.594 1.00 0.00 N ATOM 715 CZ ARG A 53 -2.693 -12.488 -6.838 1.00 0.00 C ATOM 716 NH1 ARG A 53 -3.183 -13.146 -7.882 1.00 0.00 N ATOM 717 NH2 ARG A 53 -3.513 -11.864 -6.009 1.00 0.00 N ATOM 0 H ARG A 53 3.590 -14.017 -5.005 1.00 0.00 H new ATOM 0 HA ARG A 53 2.844 -15.447 -6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.287 -13.034 -8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.589 -14.630 -8.436 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.556 -14.406 -6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.199 -12.779 -6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.045 -12.221 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.783 -13.809 -8.114 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.067 -12.110 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.556 -13.660 -8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.186 -13.138 -8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.142 -11.390 -5.186 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.516 -11.857 -6.193 1.00 0.00 H new ATOM 731 N GLY A 54 5.503 -14.847 -7.518 1.00 0.00 N ATOM 732 CA GLY A 54 6.654 -15.156 -8.329 1.00 0.00 C ATOM 733 C GLY A 54 7.122 -13.978 -9.160 1.00 0.00 C ATOM 734 O GLY A 54 8.018 -14.125 -9.982 1.00 0.00 O ATOM 0 H GLY A 54 5.727 -14.585 -6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.469 -15.486 -7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.414 -15.988 -8.990 1.00 0.00 H new ATOM 738 N HIS A 55 6.515 -12.823 -8.968 1.00 0.00 N ATOM 739 CA HIS A 55 6.886 -11.614 -9.694 1.00 0.00 C ATOM 740 C HIS A 55 7.623 -10.690 -8.756 1.00 0.00 C ATOM 741 O HIS A 55 7.170 -10.480 -7.636 1.00 0.00 O ATOM 742 CB HIS A 55 5.652 -10.861 -10.218 1.00 0.00 C ATOM 743 CG HIS A 55 4.821 -11.574 -11.239 1.00 0.00 C ATOM 744 ND1 HIS A 55 4.891 -11.317 -12.586 1.00 0.00 N ATOM 745 CD2 HIS A 55 3.851 -12.513 -11.092 1.00 0.00 C ATOM 746 CE1 HIS A 55 3.993 -12.075 -13.207 1.00 0.00 C ATOM 747 NE2 HIS A 55 3.326 -12.828 -12.344 1.00 0.00 N ATOM 0 H HIS A 55 5.751 -12.692 -8.306 1.00 0.00 H new ATOM 0 HA HIS A 55 7.504 -11.911 -10.541 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.014 -10.617 -9.368 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.985 -9.916 -10.648 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.536 -12.947 -10.154 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.828 -12.077 -14.274 1.00 0.00 H new ATOM 0 HE2 HIS A 55 2.585 -13.497 -12.552 1.00 0.00 H new ATOM 755 N GLU A 56 8.748 -10.165 -9.178 1.00 0.00 N ATOM 756 CA GLU A 56 9.462 -9.221 -8.371 1.00 0.00 C ATOM 757 C GLU A 56 9.083 -7.815 -8.768 1.00 0.00 C ATOM 758 O GLU A 56 9.118 -7.454 -9.951 1.00 0.00 O ATOM 759 CB GLU A 56 10.977 -9.376 -8.449 1.00 0.00 C ATOM 760 CG GLU A 56 11.513 -10.708 -7.967 1.00 0.00 C ATOM 761 CD GLU A 56 11.647 -11.732 -9.066 1.00 0.00 C ATOM 762 OE1 GLU A 56 10.658 -12.328 -9.501 1.00 0.00 O ATOM 763 OE2 GLU A 56 12.788 -11.966 -9.514 1.00 0.00 O ATOM 0 H GLU A 56 9.184 -10.379 -10.075 1.00 0.00 H new ATOM 0 HA GLU A 56 9.175 -9.422 -7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.289 -9.229 -9.483 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.438 -8.582 -7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.487 -10.553 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.851 -11.099 -7.194 1.00 0.00 H new ATOM 770 N PHE A 57 8.690 -7.039 -7.797 1.00 0.00 N ATOM 771 CA PHE A 57 8.349 -5.678 -8.000 1.00 0.00 C ATOM 772 C PHE A 57 9.368 -4.888 -7.239 1.00 0.00 C ATOM 773 O PHE A 57 9.385 -4.927 -6.010 1.00 0.00 O ATOM 774 CB PHE A 57 6.956 -5.399 -7.436 1.00 0.00 C ATOM 775 CG PHE A 57 5.872 -6.263 -8.008 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.243 -5.909 -9.183 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.473 -7.422 -7.362 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.237 -6.692 -9.708 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.472 -8.209 -7.884 1.00 0.00 C ATOM 780 CZ PHE A 57 3.853 -7.843 -9.058 1.00 0.00 C ATOM 0 H PHE A 57 8.599 -7.349 -6.830 1.00 0.00 H new ATOM 0 HA PHE A 57 8.339 -5.419 -9.059 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.981 -5.536 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.706 -4.354 -7.619 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.542 -5.008 -9.698 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.953 -7.711 -6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.751 -6.403 -10.628 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.172 -9.112 -7.373 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.066 -8.459 -9.469 1.00 0.00 H new ATOM 790 N GLU A 58 10.268 -4.249 -7.934 1.00 0.00 N ATOM 791 CA GLU A 58 11.239 -3.459 -7.253 1.00 0.00 C ATOM 792 C GLU A 58 10.588 -2.112 -7.097 1.00 0.00 C ATOM 793 O GLU A 58 10.349 -1.414 -8.074 1.00 0.00 O ATOM 794 CB GLU A 58 12.530 -3.371 -8.053 1.00 0.00 C ATOM 795 CG GLU A 58 13.655 -2.715 -7.308 1.00 0.00 C ATOM 796 CD GLU A 58 14.859 -2.486 -8.179 1.00 0.00 C ATOM 797 OE1 GLU A 58 14.926 -1.447 -8.863 1.00 0.00 O ATOM 798 OE2 GLU A 58 15.768 -3.332 -8.209 1.00 0.00 O ATOM 0 H GLU A 58 10.345 -4.262 -8.951 1.00 0.00 H new ATOM 0 HA GLU A 58 11.523 -3.885 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.836 -4.376 -8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.341 -2.816 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.314 -1.761 -6.905 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.937 -3.337 -6.458 1.00 0.00 H new ATOM 805 N VAL A 59 10.251 -1.783 -5.887 1.00 0.00 N ATOM 806 CA VAL A 59 9.533 -0.566 -5.612 1.00 0.00 C ATOM 807 C VAL A 59 10.442 0.444 -4.967 1.00 0.00 C ATOM 808 O VAL A 59 11.498 0.098 -4.414 1.00 0.00 O ATOM 809 CB VAL A 59 8.325 -0.793 -4.673 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.374 -1.854 -5.179 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.804 -1.164 -3.311 1.00 0.00 C ATOM 0 H VAL A 59 10.463 -2.345 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 59 9.167 -0.202 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 59 7.772 0.146 -4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.548 -1.967 -4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.985 -1.559 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.903 -2.802 -5.272 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.948 -1.322 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.391 -2.080 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.423 -0.361 -2.912 1.00 0.00 H new ATOM 821 N GLU A 60 10.027 1.671 -5.041 1.00 0.00 N ATOM 822 CA GLU A 60 10.703 2.742 -4.379 1.00 0.00 C ATOM 823 C GLU A 60 9.640 3.370 -3.517 1.00 0.00 C ATOM 824 O GLU A 60 8.650 3.891 -4.041 1.00 0.00 O ATOM 825 CB GLU A 60 11.255 3.765 -5.377 1.00 0.00 C ATOM 826 CG GLU A 60 12.199 4.785 -4.750 1.00 0.00 C ATOM 827 CD GLU A 60 12.650 5.865 -5.713 1.00 0.00 C ATOM 828 OE1 GLU A 60 12.381 7.054 -5.455 1.00 0.00 O ATOM 829 OE2 GLU A 60 13.252 5.574 -6.765 1.00 0.00 O ATOM 0 H GLU A 60 9.202 1.959 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 60 11.563 2.390 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.781 3.237 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.422 4.292 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.703 5.252 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.076 4.266 -4.362 1.00 0.00 H new ATOM 836 N ALA A 61 9.797 3.272 -2.218 1.00 0.00 N ATOM 837 CA ALA A 61 8.808 3.854 -1.319 1.00 0.00 C ATOM 838 C ALA A 61 9.007 5.358 -1.274 1.00 0.00 C ATOM 839 O ALA A 61 9.818 5.873 -0.513 1.00 0.00 O ATOM 840 CB ALA A 61 8.873 3.246 0.073 1.00 0.00 C ATOM 0 H ALA A 61 10.580 2.807 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 61 7.813 3.630 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.118 3.710 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.686 2.174 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.861 3.418 0.499 1.00 0.00 H new ATOM 846 N LYS A 62 8.298 6.016 -2.172 1.00 0.00 N ATOM 847 CA LYS A 62 8.376 7.450 -2.398 1.00 0.00 C ATOM 848 C LYS A 62 7.906 8.265 -1.208 1.00 0.00 C ATOM 849 O LYS A 62 8.646 9.071 -0.632 1.00 0.00 O ATOM 850 CB LYS A 62 7.467 7.810 -3.579 1.00 0.00 C ATOM 851 CG LYS A 62 7.806 7.169 -4.891 1.00 0.00 C ATOM 852 CD LYS A 62 9.109 7.687 -5.427 1.00 0.00 C ATOM 853 CE LYS A 62 9.363 7.108 -6.787 1.00 0.00 C ATOM 854 NZ LYS A 62 10.588 7.658 -7.403 1.00 0.00 N ATOM 0 H LYS A 62 7.628 5.552 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 62 9.424 7.685 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.444 7.539 -3.319 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.487 8.892 -3.710 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.865 6.088 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.011 7.364 -5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.083 8.775 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.922 7.422 -4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.452 6.024 -6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.509 7.312 -7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.954 6.986 -8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.367 8.562 -7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.307 7.813 -6.668 1.00 0.00 H new ATOM 868 N ASP A 63 6.675 8.036 -0.835 1.00 0.00 N ATOM 869 CA ASP A 63 6.041 8.843 0.177 1.00 0.00 C ATOM 870 C ASP A 63 5.041 7.999 0.939 1.00 0.00 C ATOM 871 O ASP A 63 4.647 6.937 0.459 1.00 0.00 O ATOM 872 CB ASP A 63 5.361 10.039 -0.502 1.00 0.00 C ATOM 873 CG ASP A 63 4.702 10.985 0.462 1.00 0.00 C ATOM 874 OD1 ASP A 63 5.376 11.884 1.009 1.00 0.00 O ATOM 875 OD2 ASP A 63 3.494 10.838 0.705 1.00 0.00 O ATOM 0 H ASP A 63 6.088 7.295 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 63 6.777 9.218 0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.103 10.586 -1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.613 9.670 -1.204 1.00 0.00 H new ATOM 880 N GLN A 64 4.590 8.506 2.083 1.00 0.00 N ATOM 881 CA GLN A 64 3.715 7.796 3.015 1.00 0.00 C ATOM 882 C GLN A 64 2.285 7.679 2.495 1.00 0.00 C ATOM 883 O GLN A 64 1.403 7.143 3.168 1.00 0.00 O ATOM 884 CB GLN A 64 3.757 8.481 4.378 1.00 0.00 C ATOM 885 CG GLN A 64 5.180 8.795 4.799 1.00 0.00 C ATOM 886 CD GLN A 64 5.342 9.156 6.249 1.00 0.00 C ATOM 887 OE1 GLN A 64 4.618 8.669 7.104 1.00 0.00 O ATOM 888 NE2 GLN A 64 6.289 10.003 6.544 1.00 0.00 N ATOM 0 H GLN A 64 4.829 9.447 2.397 1.00 0.00 H new ATOM 0 HA GLN A 64 4.085 6.776 3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.176 9.402 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.289 7.838 5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.808 7.931 4.582 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.551 9.619 4.190 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.875 10.390 5.805 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.443 10.278 7.514 1.00 0.00 H new ATOM 897 N ASN A 65 2.057 8.208 1.301 1.00 0.00 N ATOM 898 CA ASN A 65 0.789 8.025 0.608 1.00 0.00 C ATOM 899 C ASN A 65 0.702 6.557 0.176 1.00 0.00 C ATOM 900 O ASN A 65 -0.379 5.995 0.014 1.00 0.00 O ATOM 901 CB ASN A 65 0.698 8.947 -0.607 1.00 0.00 C ATOM 902 CG ASN A 65 -0.673 8.935 -1.255 1.00 0.00 C ATOM 903 OD1 ASN A 65 -1.687 8.723 -0.587 1.00 0.00 O ATOM 904 ND2 ASN A 65 -0.726 9.186 -2.538 1.00 0.00 N ATOM 0 H ASN A 65 2.737 8.770 0.790 1.00 0.00 H new ATOM 0 HA ASN A 65 -0.040 8.276 1.269 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.942 9.965 -0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.444 8.646 -1.342 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.627 9.211 -3.016 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.133 9.357 -3.060 1.00 0.00 H new ATOM 911 N CYS A 66 1.877 5.961 0.001 1.00 0.00 N ATOM 912 CA CYS A 66 2.057 4.546 -0.288 1.00 0.00 C ATOM 913 C CYS A 66 1.386 4.033 -1.554 1.00 0.00 C ATOM 914 O CYS A 66 0.701 3.015 -1.553 1.00 0.00 O ATOM 915 CB CYS A 66 1.705 3.701 0.931 1.00 0.00 C ATOM 916 SG CYS A 66 2.815 4.018 2.343 1.00 0.00 S ATOM 0 H CYS A 66 2.760 6.469 0.059 1.00 0.00 H new ATOM 0 HA CYS A 66 3.119 4.438 -0.510 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.677 3.907 1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.754 2.645 0.664 1.00 0.00 H new ATOM 921 N LYS A 67 1.531 4.770 -2.625 1.00 0.00 N ATOM 922 CA LYS A 67 1.158 4.314 -3.914 1.00 0.00 C ATOM 923 C LYS A 67 2.241 3.351 -4.348 1.00 0.00 C ATOM 924 O LYS A 67 3.427 3.628 -4.133 1.00 0.00 O ATOM 925 CB LYS A 67 1.162 5.503 -4.868 1.00 0.00 C ATOM 926 CG LYS A 67 0.426 5.299 -6.176 1.00 0.00 C ATOM 927 CD LYS A 67 -1.067 5.238 -5.928 1.00 0.00 C ATOM 928 CE LYS A 67 -1.608 3.817 -5.830 1.00 0.00 C ATOM 929 NZ LYS A 67 -3.079 3.791 -5.686 1.00 0.00 N ATOM 0 H LYS A 67 1.918 5.714 -2.613 1.00 0.00 H new ATOM 0 HA LYS A 67 0.173 3.847 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.723 6.358 -4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.197 5.762 -5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.656 6.114 -6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.762 4.377 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.296 5.770 -5.005 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.583 5.760 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.321 3.258 -6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.152 3.314 -4.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.404 2.805 -5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.352 4.302 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.517 4.248 -6.511 1.00 0.00 H new ATOM 943 N VAL A 68 1.863 2.238 -4.914 1.00 0.00 N ATOM 944 CA VAL A 68 2.869 1.312 -5.392 1.00 0.00 C ATOM 945 C VAL A 68 3.482 1.819 -6.690 1.00 0.00 C ATOM 946 O VAL A 68 2.872 1.791 -7.769 1.00 0.00 O ATOM 947 CB VAL A 68 2.416 -0.172 -5.494 1.00 0.00 C ATOM 948 CG1 VAL A 68 1.192 -0.348 -6.388 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.580 -1.033 -5.988 1.00 0.00 C ATOM 0 H VAL A 68 0.895 1.949 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 68 3.636 1.288 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 68 2.120 -0.499 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.917 -1.402 -6.425 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.361 0.230 -5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.423 0.002 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.259 -2.072 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.899 -0.684 -6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.412 -0.957 -5.288 1.00 0.00 H new ATOM 959 N ILE A 69 4.669 2.335 -6.552 1.00 0.00 N ATOM 960 CA ILE A 69 5.413 2.860 -7.657 1.00 0.00 C ATOM 961 C ILE A 69 6.685 2.081 -7.709 1.00 0.00 C ATOM 962 O ILE A 69 7.420 1.989 -6.710 1.00 0.00 O ATOM 963 CB ILE A 69 5.700 4.377 -7.501 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.372 5.131 -7.454 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.557 4.892 -8.657 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.480 6.597 -7.087 1.00 0.00 C ATOM 0 H ILE A 69 5.153 2.403 -5.657 1.00 0.00 H new ATOM 0 HA ILE A 69 4.842 2.762 -8.580 1.00 0.00 H new ATOM 0 HB ILE A 69 6.253 4.542 -6.576 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.891 5.051 -8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.718 4.639 -6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.744 5.958 -8.525 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.506 4.356 -8.673 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.033 4.730 -9.599 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.486 7.045 -7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.928 6.692 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.104 7.110 -7.819 1.00 0.00 H new ATOM 978 N LEU A 70 6.925 1.479 -8.834 1.00 0.00 N ATOM 979 CA LEU A 70 8.093 0.698 -8.974 1.00 0.00 C ATOM 980 C LEU A 70 9.229 1.614 -9.283 1.00 0.00 C ATOM 981 O LEU A 70 9.023 2.741 -9.720 1.00 0.00 O ATOM 982 CB LEU A 70 8.003 -0.412 -10.024 1.00 0.00 C ATOM 983 CG LEU A 70 6.888 -1.443 -9.883 1.00 0.00 C ATOM 984 CD1 LEU A 70 6.632 -1.844 -8.454 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.655 -0.978 -10.578 1.00 0.00 C ATOM 0 H LEU A 70 6.325 1.519 -9.658 1.00 0.00 H new ATOM 0 HA LEU A 70 8.241 0.173 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.899 0.060 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.953 -0.946 -10.027 1.00 0.00 H new ATOM 0 HG LEU A 70 7.225 -2.355 -10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.828 -2.579 -8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.538 -2.277 -8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.345 -0.966 -7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.870 -1.726 -10.467 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.323 -0.037 -10.140 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.868 -0.830 -11.637 1.00 0.00 H new ATOM 997 N THR A 71 10.401 1.130 -9.057 1.00 0.00 N ATOM 998 CA THR A 71 11.641 1.886 -9.294 1.00 0.00 C ATOM 999 C THR A 71 11.778 2.443 -10.704 1.00 0.00 C ATOM 1000 O THR A 71 12.365 3.511 -10.916 1.00 0.00 O ATOM 1001 CB THR A 71 12.848 1.033 -8.973 1.00 0.00 C ATOM 1002 OG1 THR A 71 12.773 -0.217 -9.681 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.841 0.778 -7.509 1.00 0.00 C ATOM 0 H THR A 71 10.557 0.188 -8.698 1.00 0.00 H new ATOM 0 HA THR A 71 11.586 2.746 -8.626 1.00 0.00 H new ATOM 0 HB THR A 71 13.763 1.543 -9.274 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.643 -0.667 -9.643 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.701 0.164 -7.243 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.893 1.726 -6.974 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.924 0.257 -7.235 1.00 0.00 H new ATOM 1011 N ASN A 72 11.210 1.734 -11.647 1.00 0.00 N ATOM 1012 CA ASN A 72 11.220 2.125 -13.046 1.00 0.00 C ATOM 1013 C ASN A 72 10.265 3.289 -13.285 1.00 0.00 C ATOM 1014 O ASN A 72 10.329 3.970 -14.314 1.00 0.00 O ATOM 1015 CB ASN A 72 10.896 0.917 -13.935 1.00 0.00 C ATOM 1016 CG ASN A 72 9.683 0.136 -13.464 1.00 0.00 C ATOM 1017 OD1 ASN A 72 8.757 0.683 -12.873 1.00 0.00 O ATOM 1018 ND2 ASN A 72 9.699 -1.154 -13.675 1.00 0.00 N ATOM 0 H ASN A 72 10.720 0.857 -11.469 1.00 0.00 H new ATOM 0 HA ASN A 72 12.218 2.471 -13.314 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.725 1.260 -14.955 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.760 0.252 -13.963 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.928 -1.734 -13.345 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.483 -1.580 -14.169 1.00 0.00 H new ATOM 1025 N GLY A 73 9.391 3.514 -12.323 1.00 0.00 N ATOM 1026 CA GLY A 73 8.497 4.664 -12.346 1.00 0.00 C ATOM 1027 C GLY A 73 7.080 4.279 -12.688 1.00 0.00 C ATOM 1028 O GLY A 73 6.187 5.126 -12.786 1.00 0.00 O ATOM 0 H GLY A 73 9.278 2.912 -11.507 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.513 5.154 -11.372 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.860 5.389 -13.074 1.00 0.00 H new ATOM 1032 N LYS A 74 6.882 3.001 -12.853 1.00 0.00 N ATOM 1033 CA LYS A 74 5.611 2.449 -13.233 1.00 0.00 C ATOM 1034 C LYS A 74 4.773 2.172 -12.014 1.00 0.00 C ATOM 1035 O LYS A 74 5.259 2.201 -10.886 1.00 0.00 O ATOM 1036 CB LYS A 74 5.869 1.150 -13.976 1.00 0.00 C ATOM 1037 CG LYS A 74 6.734 1.326 -15.208 1.00 0.00 C ATOM 1038 CD LYS A 74 5.947 1.824 -16.408 1.00 0.00 C ATOM 1039 CE LYS A 74 6.818 1.897 -17.647 1.00 0.00 C ATOM 1040 NZ LYS A 74 6.094 2.458 -18.813 1.00 0.00 N ATOM 0 H LYS A 74 7.613 2.301 -12.725 1.00 0.00 H new ATOM 0 HA LYS A 74 5.074 3.156 -13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.350 0.443 -13.301 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.915 0.712 -14.270 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.536 2.030 -14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.204 0.375 -15.456 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.103 1.160 -16.593 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.535 2.810 -16.192 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.694 2.511 -17.437 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.180 0.899 -17.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.730 2.488 -19.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.273 1.859 -19.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.771 3.421 -18.590 1.00 0.00 H new ATOM 1054 N GLN A 75 3.524 1.932 -12.253 1.00 0.00 N ATOM 1055 CA GLN A 75 2.609 1.535 -11.219 1.00 0.00 C ATOM 1056 C GLN A 75 2.405 0.043 -11.384 1.00 0.00 C ATOM 1057 O GLN A 75 2.370 -0.461 -12.510 1.00 0.00 O ATOM 1058 CB GLN A 75 1.277 2.266 -11.335 1.00 0.00 C ATOM 1059 CG GLN A 75 0.346 1.986 -10.163 1.00 0.00 C ATOM 1060 CD GLN A 75 -1.011 2.633 -10.291 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -1.165 3.698 -10.900 1.00 0.00 O ATOM 1062 NE2 GLN A 75 -2.003 2.004 -9.709 1.00 0.00 N ATOM 0 H GLN A 75 3.101 2.005 -13.178 1.00 0.00 H new ATOM 0 HA GLN A 75 3.012 1.783 -10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.461 3.338 -11.399 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.785 1.971 -12.262 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.216 0.908 -10.065 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.819 2.335 -9.245 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.832 1.127 -9.217 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.946 2.391 -9.749 1.00 0.00 H new ATOM 1071 N ALA A 76 2.311 -0.653 -10.287 1.00 0.00 N ATOM 1072 CA ALA A 76 2.165 -2.096 -10.292 1.00 0.00 C ATOM 1073 C ALA A 76 0.692 -2.493 -10.507 1.00 0.00 C ATOM 1074 O ALA A 76 -0.161 -1.601 -10.610 1.00 0.00 O ATOM 1075 CB ALA A 76 2.730 -2.632 -8.986 1.00 0.00 C ATOM 0 H ALA A 76 2.333 -0.241 -9.354 1.00 0.00 H new ATOM 0 HA ALA A 76 2.720 -2.537 -11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.632 -3.717 -8.965 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.783 -2.361 -8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.181 -2.202 -8.148 1.00 0.00 H new ATOM 1081 N PRO A 77 0.356 -3.809 -10.633 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.034 -4.259 -10.779 1.00 0.00 C ATOM 1083 C PRO A 77 -1.894 -3.826 -9.605 1.00 0.00 C ATOM 1084 O PRO A 77 -1.411 -3.706 -8.479 1.00 0.00 O ATOM 1085 CB PRO A 77 -0.925 -5.777 -10.791 1.00 0.00 C ATOM 1086 CG PRO A 77 0.452 -6.059 -11.241 1.00 0.00 C ATOM 1087 CD PRO A 77 1.284 -4.965 -10.666 1.00 0.00 C ATOM 0 HA PRO A 77 -1.500 -3.840 -11.671 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.109 -6.193 -9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.659 -6.220 -11.465 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.788 -7.035 -10.891 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.516 -6.072 -12.329 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.647 -5.217 -9.670 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.160 -4.760 -11.282 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.168 -3.625 -9.894 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.193 -3.168 -8.943 1.00 0.00 C ATOM 1097 C ASP A 78 -4.213 -3.970 -7.635 1.00 0.00 C ATOM 1098 O ASP A 78 -4.492 -3.419 -6.567 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.559 -3.238 -9.630 1.00 0.00 C ATOM 1100 CG ASP A 78 -6.715 -2.796 -8.759 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -7.396 -3.654 -8.153 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -7.003 -1.587 -8.705 1.00 0.00 O ATOM 0 H ASP A 78 -3.541 -3.779 -10.831 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.950 -2.144 -8.660 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.535 -2.617 -10.525 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.736 -4.262 -9.957 1.00 0.00 H new ATOM 1107 N TRP A 79 -3.875 -5.252 -7.720 1.00 0.00 N ATOM 1108 CA TRP A 79 -3.868 -6.134 -6.560 1.00 0.00 C ATOM 1109 C TRP A 79 -2.687 -5.872 -5.628 1.00 0.00 C ATOM 1110 O TRP A 79 -2.706 -6.270 -4.471 1.00 0.00 O ATOM 1111 CB TRP A 79 -3.915 -7.613 -6.979 1.00 0.00 C ATOM 1112 CG TRP A 79 -2.793 -8.096 -7.853 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -2.830 -8.179 -9.197 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.489 -8.572 -7.458 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -1.655 -8.691 -9.683 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -0.811 -8.935 -8.639 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -0.827 -8.730 -6.234 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 0.485 -9.440 -8.635 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.460 -9.228 -6.236 1.00 0.00 C ATOM 1120 CH2 TRP A 79 1.103 -9.579 -7.425 1.00 0.00 C ATOM 0 H TRP A 79 -3.600 -5.707 -8.591 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.774 -5.907 -5.998 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -3.932 -8.223 -6.076 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -4.855 -7.790 -7.501 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.670 -7.883 -9.808 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.445 -8.862 -10.666 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.314 -8.467 -5.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.984 -9.712 -9.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 0.981 -9.349 -5.298 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.110 -9.968 -7.387 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.654 -5.225 -6.119 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.520 -4.950 -5.286 1.00 0.00 C ATOM 1133 C LEU A 80 -0.809 -3.663 -4.531 1.00 0.00 C ATOM 1134 O LEU A 80 -0.847 -2.580 -5.117 1.00 0.00 O ATOM 1135 CB LEU A 80 0.760 -4.850 -6.124 1.00 0.00 C ATOM 1136 CG LEU A 80 2.054 -4.701 -5.327 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.233 -5.867 -4.388 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.250 -4.635 -6.241 1.00 0.00 C ATOM 0 H LEU A 80 -1.581 -4.886 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.355 -5.761 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.837 -5.741 -6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.668 -3.998 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 80 1.981 -3.773 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.160 -5.744 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.393 -5.908 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.275 -6.793 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.157 -4.529 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.308 -5.550 -6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.151 -3.779 -6.908 1.00 0.00 H new ATOM 1150 N ALA A 81 -1.062 -3.795 -3.254 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.432 -2.664 -2.426 1.00 0.00 C ATOM 1152 C ALA A 81 -0.322 -2.299 -1.487 1.00 0.00 C ATOM 1153 O ALA A 81 0.601 -3.073 -1.260 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.669 -2.968 -1.599 1.00 0.00 C ATOM 0 H ALA A 81 -1.019 -4.684 -2.756 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.636 -1.834 -3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.921 -2.101 -0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.502 -3.199 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.473 -3.822 -0.951 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.440 -1.121 -0.946 1.00 0.00 N ATOM 1161 CA ALA A 82 0.471 -0.611 0.047 1.00 0.00 C ATOM 1162 C ALA A 82 -0.270 0.356 0.958 1.00 0.00 C ATOM 1163 O ALA A 82 -1.121 1.122 0.493 1.00 0.00 O ATOM 1164 CB ALA A 82 1.667 0.072 -0.601 1.00 0.00 C ATOM 0 H ALA A 82 -1.188 -0.471 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 82 0.852 -1.445 0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.336 0.446 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.200 -0.644 -1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.322 0.904 -1.215 1.00 0.00 H new ATOM 1170 N GLU A 83 -0.003 0.268 2.243 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.544 1.180 3.237 1.00 0.00 C ATOM 1172 C GLU A 83 0.581 1.475 4.213 1.00 0.00 C ATOM 1173 O GLU A 83 1.440 0.619 4.399 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.745 0.563 3.980 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.457 -0.757 4.652 1.00 0.00 C ATOM 1176 CD GLU A 83 -2.559 -1.218 5.576 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -2.257 -1.702 6.693 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -3.745 -1.116 5.206 1.00 0.00 O ATOM 0 H GLU A 83 0.606 -0.450 2.637 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.908 2.088 2.756 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.092 1.271 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.562 0.425 3.272 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.294 -1.517 3.887 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.530 -0.672 5.219 1.00 0.00 H new ATOM 1185 N PRO A 84 0.673 2.680 4.773 1.00 0.00 N ATOM 1186 CA PRO A 84 1.685 2.985 5.770 1.00 0.00 C ATOM 1187 C PRO A 84 1.380 2.263 7.093 1.00 0.00 C ATOM 1188 O PRO A 84 0.305 2.425 7.667 1.00 0.00 O ATOM 1189 CB PRO A 84 1.632 4.510 5.849 1.00 0.00 C ATOM 1190 CG PRO A 84 0.218 4.831 5.536 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.142 3.863 4.456 1.00 0.00 C ATOM 0 HA PRO A 84 2.690 2.641 5.526 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.914 4.869 6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.315 4.972 5.135 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.422 4.710 6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.108 5.862 5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.207 3.631 4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.091 4.259 3.468 1.00 0.00 H new ATOM 1199 N TYR A 85 2.353 1.461 7.517 1.00 0.00 N ATOM 1200 CA TYR A 85 2.255 0.510 8.628 1.00 0.00 C ATOM 1201 C TYR A 85 1.595 1.062 9.896 1.00 0.00 C ATOM 1202 O TYR A 85 2.237 1.769 10.691 1.00 0.00 O ATOM 1203 CB TYR A 85 3.618 -0.212 8.847 1.00 0.00 C ATOM 1204 CG TYR A 85 4.648 0.347 9.813 1.00 0.00 C ATOM 1205 CD1 TYR A 85 5.084 -0.418 10.887 1.00 0.00 C ATOM 1206 CD2 TYR A 85 5.200 1.602 9.645 1.00 0.00 C ATOM 1207 CE1 TYR A 85 6.043 0.053 11.761 1.00 0.00 C ATOM 1208 CE2 TYR A 85 6.155 2.082 10.518 1.00 0.00 C ATOM 1209 CZ TYR A 85 6.576 1.305 11.570 1.00 0.00 C ATOM 1210 OH TYR A 85 7.547 1.778 12.423 1.00 0.00 O ATOM 1211 OXT TYR A 85 0.401 0.768 10.118 1.00 0.00 O ATOM 0 H TYR A 85 3.274 1.454 7.078 1.00 0.00 H new ATOM 0 HA TYR A 85 1.538 -0.256 8.333 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.394 -1.228 9.171 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.101 -0.287 7.873 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.664 -1.401 11.041 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.879 2.217 8.817 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.372 -0.558 12.589 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.571 3.068 10.374 1.00 0.00 H new ATOM 0 HH TYR A 85 7.816 2.679 12.146 1.00 0.00 H new TER 1221 TYR A 85