USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 7 THR OG1 : rot -131:sc= 0.923 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.23 (180deg=1.1) USER MOD Single : A 2 GLN :FLIP amide:sc=-0.00827 F(o=-1.3!,f=-0.0083) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= 1.06 (180deg=0.962) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= 1.27 (180deg=0.919) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00634) USER MOD Single : A 31 GLN : amide:sc= -0.812 K(o=-0.81,f=-3.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00724 K(o=-0.0072,f=-0.99) USER MOD Single : A 41 GLN : amide:sc= -0.322 K(o=-0.32,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0958 K(o=-0.096,f=-0.85) USER MOD Single : A 55 THR OG1 : rot -20:sc= 1.12 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 156:sc= 0.215 USER MOD Single : A 60 ASN : amide:sc= -0.0538 K(o=-0.054,f=-1.8!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 90:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.557 -4.140 -4.213 1.00 0.78 N ATOM 2 CA MET A 1 12.455 -4.841 -2.914 1.00 0.70 C ATOM 3 C MET A 1 11.057 -5.270 -2.627 1.00 0.62 C ATOM 4 O MET A 1 10.164 -4.465 -2.886 1.00 0.68 O ATOM 5 CB MET A 1 13.020 -3.901 -1.836 1.00 0.75 C ATOM 6 CG MET A 1 12.036 -2.979 -1.112 1.00 0.79 C ATOM 7 SD MET A 1 12.786 -1.693 -0.069 1.00 1.10 S ATOM 8 CE MET A 1 11.447 -0.498 -0.344 1.00 0.84 C ATOM 0 H1 MET A 1 13.530 -3.797 -4.347 1.00 0.78 H new ATOM 0 H2 MET A 1 12.312 -4.796 -4.982 1.00 0.78 H new ATOM 0 H3 MET A 1 11.901 -3.333 -4.224 1.00 0.78 H new ATOM 0 HA MET A 1 13.036 -5.763 -2.932 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.521 -4.513 -1.086 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.784 -3.278 -2.301 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.404 -2.495 -1.857 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.383 -3.591 -0.490 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.660 0.420 0.204 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.370 -0.276 -1.408 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.505 -0.920 0.007 1.00 0.84 H new ATOM 20 N GLN A 2 10.772 -6.380 -1.924 1.00 0.59 N ATOM 21 CA GLN A 2 9.417 -6.811 -1.772 1.00 0.56 C ATOM 22 C GLN A 2 8.889 -6.333 -0.463 1.00 0.50 C ATOM 23 O GLN A 2 9.493 -6.271 0.605 1.00 0.60 O ATOM 24 CB GLN A 2 9.316 -8.345 -1.816 1.00 0.71 C ATOM 25 CG GLN A 2 9.940 -9.209 -0.718 1.00 1.15 C ATOM 26 CD GLN A 2 9.604 -10.683 -0.893 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.357 -11.056 -2.177 1.00 1.87 O flip ATOM 28 NE2 GLN A 2 9.448 -11.451 0.055 1.00 1.72 N flip ATOM 0 H GLN A 2 11.467 -6.971 -1.467 1.00 0.59 H new ATOM 0 HA GLN A 2 8.834 -6.396 -2.594 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.255 -8.594 -1.854 1.00 0.71 H new ATOM 0 HB3 GLN A 2 9.753 -8.666 -2.762 1.00 0.71 H new ATOM 0 HG2 GLN A 2 11.022 -9.080 -0.727 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.586 -8.870 0.256 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.644 -11.135 1.005 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.123 -12.404 -0.109 1.00 1.72 H new ATOM 37 N ILE A 3 7.611 -5.917 -0.530 1.00 0.44 N ATOM 38 CA ILE A 3 6.778 -5.570 0.579 1.00 0.42 C ATOM 39 C ILE A 3 5.530 -6.383 0.584 1.00 0.40 C ATOM 40 O ILE A 3 5.153 -7.096 -0.344 1.00 0.50 O ATOM 41 CB ILE A 3 6.357 -4.142 0.752 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.645 -3.686 -0.533 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.445 -3.178 1.253 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.061 -2.282 -0.383 1.00 0.72 C ATOM 0 H ILE A 3 7.128 -5.817 -1.423 1.00 0.44 H new ATOM 0 HA ILE A 3 7.455 -5.777 1.408 1.00 0.42 H new ATOM 0 HB ILE A 3 5.656 -4.103 1.586 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.349 -3.701 -1.365 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.848 -4.388 -0.777 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.029 -2.174 1.341 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.804 -3.509 2.228 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.274 -3.166 0.546 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.566 -1.993 -1.310 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.338 -2.274 0.433 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.862 -1.576 -0.164 1.00 0.72 H new ATOM 56 N PHE A 4 4.832 -6.480 1.730 1.00 0.37 N ATOM 57 CA PHE A 4 3.630 -7.245 1.853 1.00 0.38 C ATOM 58 C PHE A 4 2.436 -6.364 1.992 1.00 0.39 C ATOM 59 O PHE A 4 2.555 -5.263 2.528 1.00 0.60 O ATOM 60 CB PHE A 4 3.758 -8.238 3.021 1.00 0.45 C ATOM 61 CG PHE A 4 5.085 -8.912 3.092 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.513 -9.665 2.025 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.891 -8.839 4.203 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.698 -10.362 2.060 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.946 -9.704 4.378 1.00 1.40 C ATOM 66 CZ PHE A 4 7.404 -10.323 3.239 1.00 0.85 C ATOM 0 H PHE A 4 5.111 -6.014 2.594 1.00 0.37 H new ATOM 0 HA PHE A 4 3.484 -7.819 0.938 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.579 -7.709 3.957 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.980 -8.996 2.929 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.902 -9.711 1.135 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.692 -8.088 4.953 1.00 1.30 H new ATOM 0 HE1 PHE A 4 7.056 -10.913 1.203 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.386 -9.885 5.347 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.370 -10.804 3.272 1.00 0.85 H new ATOM 76 N VAL A 5 1.245 -6.653 1.436 1.00 0.35 N ATOM 77 CA VAL A 5 0.030 -5.922 1.620 1.00 0.35 C ATOM 78 C VAL A 5 -0.903 -6.770 2.413 1.00 0.35 C ATOM 79 O VAL A 5 -1.179 -7.912 2.051 1.00 0.46 O ATOM 80 CB VAL A 5 -0.527 -5.596 0.266 1.00 0.44 C ATOM 81 CG1 VAL A 5 -2.050 -5.397 0.352 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.066 -4.247 -0.172 1.00 0.56 C ATOM 0 H VAL A 5 1.125 -7.453 0.815 1.00 0.35 H new ATOM 0 HA VAL A 5 0.190 -4.989 2.160 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.288 -6.405 -0.424 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -2.443 -5.161 -0.637 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.516 -6.311 0.719 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -2.272 -4.577 1.036 1.00 0.58 H new ATOM 0 HG21 VAL A 5 -0.321 -3.982 -1.156 1.00 0.56 H new ATOM 0 HG22 VAL A 5 -0.212 -3.477 0.547 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.152 -4.325 -0.218 1.00 0.56 H new ATOM 92 N LYS A 6 -1.402 -6.276 3.561 1.00 0.36 N ATOM 93 CA LYS A 6 -2.282 -7.015 4.413 1.00 0.39 C ATOM 94 C LYS A 6 -3.571 -6.275 4.520 1.00 0.46 C ATOM 95 O LYS A 6 -3.635 -5.051 4.620 1.00 0.53 O ATOM 96 CB LYS A 6 -1.581 -7.083 5.780 1.00 0.54 C ATOM 97 CG LYS A 6 -2.394 -7.775 6.875 1.00 1.22 C ATOM 98 CD LYS A 6 -1.422 -7.913 8.049 1.00 1.37 C ATOM 99 CE LYS A 6 -2.100 -8.534 9.271 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.080 -9.086 10.189 1.00 2.09 N ATOM 0 H LYS A 6 -1.188 -5.340 3.905 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.495 -8.015 4.036 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.633 -7.608 5.662 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.346 -6.069 6.105 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.268 -7.186 7.152 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.757 -8.748 6.544 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.574 -8.530 7.750 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.026 -6.932 8.311 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.697 -7.782 9.787 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.783 -9.323 8.956 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.549 -9.506 11.017 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.528 -9.817 9.696 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.445 -8.324 10.501 1.00 2.09 H new ATOM 114 N THR A 7 -4.693 -7.015 4.483 1.00 0.58 N ATOM 115 CA THR A 7 -6.010 -6.461 4.533 1.00 0.78 C ATOM 116 C THR A 7 -6.554 -6.679 5.902 1.00 0.94 C ATOM 117 O THR A 7 -5.969 -7.410 6.700 1.00 0.99 O ATOM 118 CB THR A 7 -7.005 -6.967 3.530 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.401 -8.324 3.667 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.299 -6.941 2.164 1.00 0.92 C ATOM 0 H THR A 7 -4.683 -8.033 4.416 1.00 0.58 H new ATOM 0 HA THR A 7 -5.881 -5.410 4.273 1.00 0.78 H new ATOM 0 HB THR A 7 -7.886 -6.339 3.659 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.337 -8.773 2.798 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.982 -7.301 1.395 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.995 -5.920 1.931 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.419 -7.583 2.197 1.00 0.92 H new ATOM 128 N LEU A 8 -7.689 -6.038 6.234 1.00 1.17 N ATOM 129 CA LEU A 8 -8.427 -6.250 7.441 1.00 1.39 C ATOM 130 C LEU A 8 -9.024 -7.613 7.506 1.00 1.44 C ATOM 131 O LEU A 8 -8.906 -8.302 8.518 1.00 1.60 O ATOM 132 CB LEU A 8 -9.531 -5.211 7.696 1.00 1.66 C ATOM 133 CG LEU A 8 -10.043 -5.172 9.146 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.141 -4.472 10.175 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.410 -4.470 9.195 1.00 2.43 C ATOM 0 H LEU A 8 -8.114 -5.335 5.629 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.680 -6.137 8.227 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.153 -4.224 7.430 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.370 -5.420 7.033 1.00 1.66 H new ATOM 0 HG LEU A 8 -10.079 -6.223 9.432 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.611 -4.511 11.157 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -8.175 -4.976 10.215 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -8.996 -3.432 9.884 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -11.769 -4.444 10.224 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.310 -3.451 8.820 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.122 -5.016 8.576 1.00 2.43 H new ATOM 147 N THR A 9 -9.604 -8.136 6.411 1.00 1.41 N ATOM 148 CA THR A 9 -10.347 -9.356 6.472 1.00 1.51 C ATOM 149 C THR A 9 -9.417 -10.518 6.540 1.00 1.37 C ATOM 150 O THR A 9 -9.658 -11.685 6.846 1.00 1.62 O ATOM 151 CB THR A 9 -11.317 -9.478 5.333 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.773 -9.593 4.027 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.295 -8.290 5.386 1.00 2.08 C ATOM 0 H THR A 9 -9.558 -7.714 5.483 1.00 1.41 H new ATOM 0 HA THR A 9 -10.946 -9.346 7.382 1.00 1.51 H new ATOM 0 HB THR A 9 -11.808 -10.438 5.491 1.00 1.65 H new ATOM 0 HG1 THR A 9 -11.501 -9.667 3.375 1.00 1.89 H new ATOM 0 HG21 THR A 9 -13.006 -8.367 4.563 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.834 -8.304 6.333 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.739 -7.357 5.299 1.00 2.08 H new ATOM 161 N GLY A 10 -8.158 -10.260 6.146 1.00 1.18 N ATOM 162 CA GLY A 10 -7.080 -11.161 6.413 1.00 1.22 C ATOM 163 C GLY A 10 -6.262 -11.634 5.261 1.00 0.99 C ATOM 164 O GLY A 10 -5.667 -12.704 5.381 1.00 1.31 O ATOM 0 H GLY A 10 -7.884 -9.419 5.638 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.409 -10.678 7.123 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.493 -12.038 6.911 1.00 1.22 H new ATOM 168 N LYS A 11 -6.174 -10.843 4.176 1.00 0.73 N ATOM 169 CA LYS A 11 -5.400 -11.269 3.051 1.00 0.60 C ATOM 170 C LYS A 11 -4.003 -10.763 3.165 1.00 0.51 C ATOM 171 O LYS A 11 -3.855 -9.561 3.378 1.00 0.63 O ATOM 172 CB LYS A 11 -6.065 -10.923 1.708 1.00 0.75 C ATOM 173 CG LYS A 11 -5.624 -11.627 0.422 1.00 0.87 C ATOM 174 CD LYS A 11 -6.581 -11.432 -0.755 1.00 1.04 C ATOM 175 CE LYS A 11 -6.399 -12.286 -2.012 1.00 1.30 C ATOM 176 NZ LYS A 11 -7.212 -11.705 -3.103 1.00 1.40 N ATOM 0 H LYS A 11 -6.625 -9.933 4.077 1.00 0.73 H new ATOM 0 HA LYS A 11 -5.355 -12.358 3.064 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -7.134 -11.101 1.822 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.935 -9.852 1.550 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -4.637 -11.260 0.139 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -5.522 -12.694 0.621 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -7.593 -11.601 -0.387 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.522 -10.386 -1.057 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.348 -12.316 -2.299 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -6.706 -13.314 -1.818 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -7.110 -12.287 -3.959 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -8.212 -11.682 -2.817 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.886 -10.737 -3.301 1.00 1.40 H new ATOM 190 N THR A 12 -3.016 -11.642 2.918 1.00 0.49 N ATOM 191 CA THR A 12 -1.647 -11.258 2.763 1.00 0.48 C ATOM 192 C THR A 12 -1.009 -11.642 1.473 1.00 0.52 C ATOM 193 O THR A 12 -0.776 -12.825 1.232 1.00 0.72 O ATOM 194 CB THR A 12 -0.700 -11.723 3.829 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.357 -11.413 5.050 1.00 0.77 O ATOM 196 CG2 THR A 12 0.602 -10.905 3.831 1.00 0.78 C ATOM 0 H THR A 12 -3.173 -12.645 2.824 1.00 0.49 H new ATOM 0 HA THR A 12 -1.779 -10.178 2.824 1.00 0.48 H new ATOM 0 HB THR A 12 -0.455 -12.775 3.680 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.796 -11.691 5.803 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.261 -11.273 4.617 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.097 -11.007 2.865 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.372 -9.855 4.012 1.00 0.78 H new ATOM 204 N ILE A 13 -0.792 -10.670 0.568 1.00 0.48 N ATOM 205 CA ILE A 13 -0.194 -10.810 -0.723 1.00 0.55 C ATOM 206 C ILE A 13 1.076 -10.035 -0.651 1.00 0.51 C ATOM 207 O ILE A 13 1.367 -9.204 0.209 1.00 0.56 O ATOM 208 CB ILE A 13 -1.150 -10.247 -1.733 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.809 -8.912 -1.346 1.00 1.15 C ATOM 210 CG2 ILE A 13 -2.136 -11.382 -2.053 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.416 -8.184 -2.546 1.00 1.55 C ATOM 0 H ILE A 13 -1.059 -9.704 0.758 1.00 0.48 H new ATOM 0 HA ILE A 13 0.016 -11.840 -1.011 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.609 -9.940 -2.628 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.588 -9.097 -0.606 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -1.067 -8.269 -0.873 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.864 -11.036 -2.787 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -1.590 -12.235 -2.457 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.654 -11.681 -1.142 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -2.867 -7.249 -2.214 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.635 -7.971 -3.276 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.180 -8.812 -3.005 1.00 1.55 H new ATOM 223 N THR A 14 1.969 -10.266 -1.630 1.00 0.55 N ATOM 224 CA THR A 14 3.265 -9.677 -1.765 1.00 0.54 C ATOM 225 C THR A 14 3.359 -8.766 -2.941 1.00 0.55 C ATOM 226 O THR A 14 2.790 -9.038 -3.996 1.00 0.72 O ATOM 227 CB THR A 14 4.330 -10.722 -1.924 1.00 0.67 C ATOM 228 OG1 THR A 14 4.361 -11.403 -0.679 1.00 1.08 O ATOM 229 CG2 THR A 14 5.767 -10.198 -2.083 1.00 1.03 C ATOM 0 H THR A 14 1.766 -10.918 -2.388 1.00 0.55 H new ATOM 0 HA THR A 14 3.418 -9.108 -0.848 1.00 0.54 H new ATOM 0 HB THR A 14 4.079 -11.290 -2.820 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.040 -12.109 -0.709 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.451 -11.040 -2.190 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.828 -9.566 -2.969 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.042 -9.617 -1.203 1.00 1.03 H new ATOM 237 N LEU A 15 3.958 -7.570 -2.791 1.00 0.50 N ATOM 238 CA LEU A 15 4.242 -6.689 -3.881 1.00 0.55 C ATOM 239 C LEU A 15 5.715 -6.522 -4.027 1.00 0.52 C ATOM 240 O LEU A 15 6.501 -6.680 -3.093 1.00 0.58 O ATOM 241 CB LEU A 15 3.730 -5.246 -3.724 1.00 0.69 C ATOM 242 CG LEU A 15 2.206 -5.176 -3.531 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.730 -3.729 -3.322 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.438 -5.744 -4.737 1.00 1.55 C ATOM 0 H LEU A 15 4.253 -7.206 -1.885 1.00 0.50 H new ATOM 0 HA LEU A 15 3.739 -7.165 -4.723 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.222 -4.781 -2.870 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.008 -4.668 -4.606 1.00 0.69 H new ATOM 0 HG LEU A 15 1.998 -5.778 -2.647 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.648 -3.717 -3.189 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.209 -3.313 -2.436 1.00 1.38 H new ATOM 0 HD13 LEU A 15 1.995 -3.129 -4.193 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.366 -5.672 -4.552 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.691 -5.174 -5.631 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.712 -6.789 -4.883 1.00 1.55 H new ATOM 256 N GLU A 16 6.169 -6.187 -5.247 1.00 0.59 N ATOM 257 CA GLU A 16 7.514 -5.742 -5.439 1.00 0.63 C ATOM 258 C GLU A 16 7.546 -4.308 -5.843 1.00 0.65 C ATOM 259 O GLU A 16 7.082 -3.955 -6.926 1.00 0.81 O ATOM 260 CB GLU A 16 8.295 -6.670 -6.384 1.00 0.76 C ATOM 261 CG GLU A 16 8.449 -8.145 -6.009 1.00 1.41 C ATOM 262 CD GLU A 16 9.190 -9.053 -6.979 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.449 -9.059 -7.016 1.00 1.95 O ATOM 264 OE2 GLU A 16 8.584 -9.857 -7.738 1.00 1.92 O ATOM 0 H GLU A 16 5.608 -6.224 -6.098 1.00 0.59 H new ATOM 0 HA GLU A 16 8.037 -5.802 -4.484 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.814 -6.627 -7.361 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.295 -6.254 -6.503 1.00 0.76 H new ATOM 0 HG2 GLU A 16 8.961 -8.194 -5.048 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.451 -8.558 -5.860 1.00 1.41 H new ATOM 271 N VAL A 17 8.211 -3.443 -5.055 1.00 0.61 N ATOM 272 CA VAL A 17 8.355 -2.046 -5.327 1.00 0.63 C ATOM 273 C VAL A 17 9.807 -1.711 -5.315 1.00 0.65 C ATOM 274 O VAL A 17 10.691 -2.470 -4.922 1.00 0.76 O ATOM 275 CB VAL A 17 7.637 -1.252 -4.276 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.109 -1.416 -4.321 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.230 -1.476 -2.875 1.00 0.92 C ATOM 0 H VAL A 17 8.668 -3.731 -4.190 1.00 0.61 H new ATOM 0 HA VAL A 17 7.927 -1.805 -6.300 1.00 0.63 H new ATOM 0 HB VAL A 17 7.811 -0.204 -4.519 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.655 -0.814 -3.534 1.00 0.96 H new ATOM 0 HG12 VAL A 17 5.736 -1.086 -5.291 1.00 0.96 H new ATOM 0 HG13 VAL A 17 5.851 -2.464 -4.171 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.678 -0.881 -2.147 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.155 -2.531 -2.613 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.277 -1.175 -2.871 1.00 0.92 H new ATOM 287 N GLU A 18 10.101 -0.444 -5.659 1.00 0.68 N ATOM 288 CA GLU A 18 11.396 0.079 -5.356 1.00 0.74 C ATOM 289 C GLU A 18 11.145 1.154 -4.356 1.00 0.71 C ATOM 290 O GLU A 18 10.032 1.649 -4.183 1.00 0.74 O ATOM 291 CB GLU A 18 11.964 0.689 -6.650 1.00 0.88 C ATOM 292 CG GLU A 18 12.428 -0.277 -7.742 1.00 1.16 C ATOM 293 CD GLU A 18 13.691 -1.016 -7.326 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.687 -0.424 -6.832 1.00 2.33 O ATOM 295 OE2 GLU A 18 13.687 -2.216 -7.712 1.00 2.35 O ATOM 0 H GLU A 18 9.466 0.199 -6.131 1.00 0.68 H new ATOM 0 HA GLU A 18 12.096 -0.667 -4.978 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.201 1.339 -7.078 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.809 1.323 -6.380 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.637 -0.996 -7.955 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.614 0.275 -8.664 1.00 1.16 H new ATOM 302 N PRO A 19 12.155 1.719 -3.764 1.00 0.74 N ATOM 303 CA PRO A 19 11.970 2.703 -2.738 1.00 0.74 C ATOM 304 C PRO A 19 11.753 4.011 -3.417 1.00 0.70 C ATOM 305 O PRO A 19 11.363 4.939 -2.710 1.00 0.74 O ATOM 306 CB PRO A 19 13.276 2.784 -1.951 1.00 0.86 C ATOM 307 CG PRO A 19 14.110 1.565 -2.378 1.00 0.95 C ATOM 308 CD PRO A 19 13.570 1.381 -3.806 1.00 0.82 C ATOM 0 HA PRO A 19 11.133 2.459 -2.083 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.804 3.712 -2.168 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.085 2.769 -0.878 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.182 1.762 -2.357 1.00 0.95 H new ATOM 0 HG3 PRO A 19 13.933 0.694 -1.747 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.101 2.025 -4.507 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.713 0.355 -4.145 1.00 0.82 H new ATOM 316 N SER A 20 11.941 4.147 -4.741 1.00 0.70 N ATOM 317 CA SER A 20 11.645 5.302 -5.530 1.00 0.74 C ATOM 318 C SER A 20 10.323 5.285 -6.218 1.00 0.71 C ATOM 319 O SER A 20 9.916 6.209 -6.920 1.00 0.80 O ATOM 320 CB SER A 20 12.751 5.398 -6.594 1.00 0.89 C ATOM 321 OG SER A 20 14.037 5.746 -6.102 1.00 1.45 O ATOM 0 H SER A 20 12.330 3.390 -5.302 1.00 0.70 H new ATOM 0 HA SER A 20 11.601 6.154 -4.852 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.823 4.439 -7.107 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.453 6.136 -7.339 1.00 0.89 H new ATOM 0 HG SER A 20 14.673 5.781 -6.846 1.00 1.45 H new ATOM 327 N ASP A 21 9.496 4.265 -5.929 1.00 0.70 N ATOM 328 CA ASP A 21 8.140 4.285 -6.383 1.00 0.73 C ATOM 329 C ASP A 21 7.445 5.225 -5.459 1.00 0.64 C ATOM 330 O ASP A 21 7.747 5.387 -4.277 1.00 0.66 O ATOM 331 CB ASP A 21 7.642 2.834 -6.281 1.00 0.87 C ATOM 332 CG ASP A 21 8.331 2.010 -7.359 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.696 2.621 -8.399 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.244 0.760 -7.228 1.00 1.50 O ATOM 0 H ASP A 21 9.759 3.440 -5.391 1.00 0.70 H new ATOM 0 HA ASP A 21 7.979 4.619 -7.408 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.862 2.427 -5.294 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.560 2.795 -6.408 1.00 0.87 H new ATOM 339 N THR A 22 6.347 5.875 -5.885 1.00 0.63 N ATOM 340 CA THR A 22 5.382 6.651 -5.171 1.00 0.58 C ATOM 341 C THR A 22 4.307 5.769 -4.634 1.00 0.53 C ATOM 342 O THR A 22 4.072 4.630 -5.031 1.00 0.58 O ATOM 343 CB THR A 22 4.667 7.737 -5.920 1.00 0.63 C ATOM 344 OG1 THR A 22 4.335 7.252 -7.212 1.00 0.70 O ATOM 345 CG2 THR A 22 5.632 8.908 -6.171 1.00 0.75 C ATOM 0 H THR A 22 6.107 5.848 -6.876 1.00 0.63 H new ATOM 0 HA THR A 22 6.000 7.137 -4.416 1.00 0.58 H new ATOM 0 HB THR A 22 3.794 8.042 -5.344 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.865 7.951 -7.713 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.113 9.697 -6.715 1.00 0.75 H new ATOM 0 HG22 THR A 22 5.987 9.298 -5.217 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.481 8.560 -6.759 1.00 0.75 H new ATOM 353 N ILE A 23 3.541 6.268 -3.648 1.00 0.51 N ATOM 354 CA ILE A 23 2.449 5.613 -2.998 1.00 0.48 C ATOM 355 C ILE A 23 1.316 5.386 -3.939 1.00 0.48 C ATOM 356 O ILE A 23 0.612 4.378 -3.946 1.00 0.51 O ATOM 357 CB ILE A 23 2.177 6.262 -1.673 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.466 6.268 -0.834 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.988 5.613 -0.944 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.945 4.913 -0.314 1.00 0.73 C ATOM 0 H ILE A 23 3.699 7.205 -3.277 1.00 0.51 H new ATOM 0 HA ILE A 23 2.696 4.589 -2.717 1.00 0.48 H new ATOM 0 HB ILE A 23 1.877 7.297 -1.839 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.263 6.704 -1.436 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.314 6.928 0.020 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.828 6.115 0.010 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.091 5.705 -1.557 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.201 4.559 -0.768 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.861 5.047 0.262 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.176 4.475 0.323 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.140 4.249 -1.156 1.00 0.73 H new ATOM 372 N GLU A 24 1.034 6.353 -4.830 1.00 0.50 N ATOM 373 CA GLU A 24 0.177 6.223 -5.968 1.00 0.53 C ATOM 374 C GLU A 24 0.416 5.073 -6.884 1.00 0.50 C ATOM 375 O GLU A 24 -0.428 4.322 -7.370 1.00 0.55 O ATOM 376 CB GLU A 24 0.255 7.549 -6.743 1.00 0.64 C ATOM 377 CG GLU A 24 -0.589 7.715 -8.009 1.00 0.95 C ATOM 378 CD GLU A 24 -0.694 9.140 -8.533 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.354 9.839 -8.503 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.768 9.596 -9.007 1.00 1.62 O ATOM 0 H GLU A 24 1.432 7.289 -4.749 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.814 6.002 -5.572 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.020 8.349 -6.056 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.297 7.709 -7.018 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.167 7.086 -8.793 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.594 7.343 -7.808 1.00 0.95 H new ATOM 387 N ASN A 25 1.712 4.774 -7.080 1.00 0.51 N ATOM 388 CA ASN A 25 2.296 3.667 -7.772 1.00 0.52 C ATOM 389 C ASN A 25 2.195 2.420 -6.962 1.00 0.47 C ATOM 390 O ASN A 25 2.076 1.354 -7.565 1.00 0.53 O ATOM 391 CB ASN A 25 3.748 3.822 -8.254 1.00 0.64 C ATOM 392 CG ASN A 25 3.658 4.629 -9.541 1.00 1.23 C ATOM 393 OD1 ASN A 25 2.862 5.545 -9.746 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.531 4.274 -10.521 1.00 1.57 N ATOM 0 H ASN A 25 2.437 5.386 -6.706 1.00 0.51 H new ATOM 0 HA ASN A 25 1.699 3.618 -8.683 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.357 4.335 -7.510 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.210 2.851 -8.430 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.522 4.765 -11.415 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.195 3.516 -10.362 1.00 1.57 H new ATOM 401 N VAL A 26 2.120 2.415 -5.620 1.00 0.45 N ATOM 402 CA VAL A 26 1.834 1.244 -4.849 1.00 0.44 C ATOM 403 C VAL A 26 0.448 0.781 -5.141 1.00 0.40 C ATOM 404 O VAL A 26 0.143 -0.407 -5.231 1.00 0.44 O ATOM 405 CB VAL A 26 2.086 1.400 -3.379 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.654 0.141 -2.609 1.00 0.60 C ATOM 407 CG2 VAL A 26 3.583 1.670 -3.157 1.00 0.62 C ATOM 0 H VAL A 26 2.263 3.251 -5.053 1.00 0.45 H new ATOM 0 HA VAL A 26 2.541 0.474 -5.158 1.00 0.44 H new ATOM 0 HB VAL A 26 1.498 2.237 -3.003 1.00 0.50 H new ATOM 0 HG11 VAL A 26 1.848 0.281 -1.545 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.589 -0.033 -2.764 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.219 -0.718 -2.971 1.00 0.60 H new ATOM 0 HG21 VAL A 26 3.778 1.785 -2.091 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.165 0.833 -3.544 1.00 0.62 H new ATOM 0 HG23 VAL A 26 3.869 2.583 -3.679 1.00 0.62 H new ATOM 417 N LYS A 27 -0.477 1.724 -5.395 1.00 0.40 N ATOM 418 CA LYS A 27 -1.821 1.410 -5.771 1.00 0.41 C ATOM 419 C LYS A 27 -1.945 0.839 -7.141 1.00 0.38 C ATOM 420 O LYS A 27 -2.809 0.002 -7.393 1.00 0.42 O ATOM 421 CB LYS A 27 -2.785 2.595 -5.593 1.00 0.51 C ATOM 422 CG LYS A 27 -2.794 3.094 -4.147 1.00 0.76 C ATOM 423 CD LYS A 27 -3.639 4.363 -4.010 1.00 0.82 C ATOM 424 CE LYS A 27 -3.470 4.983 -2.622 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.338 6.148 -2.332 1.00 1.11 N ATOM 0 H LYS A 27 -0.288 2.725 -5.338 1.00 0.40 H new ATOM 0 HA LYS A 27 -2.117 0.627 -5.073 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.492 3.407 -6.258 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.792 2.294 -5.882 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -3.190 2.317 -3.493 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.773 3.295 -3.822 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.346 5.084 -4.773 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.689 4.126 -4.182 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.663 4.214 -1.874 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.430 5.289 -2.504 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.433 6.262 -1.303 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.914 7.007 -2.738 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.277 5.994 -2.752 1.00 1.11 H new ATOM 439 N ALA A 28 -1.119 1.332 -8.082 1.00 0.39 N ATOM 440 CA ALA A 28 -1.033 0.781 -9.398 1.00 0.39 C ATOM 441 C ALA A 28 -0.711 -0.672 -9.471 1.00 0.36 C ATOM 442 O ALA A 28 -1.243 -1.405 -10.303 1.00 0.42 O ATOM 443 CB ALA A 28 0.067 1.455 -10.236 1.00 0.51 C ATOM 0 H ALA A 28 -0.500 2.128 -7.925 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.040 0.956 -9.776 1.00 0.39 H new ATOM 0 HB1 ALA A 28 0.096 1.004 -11.228 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.146 2.520 -10.327 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.032 1.319 -9.747 1.00 0.51 H new ATOM 449 N LYS A 29 0.327 -1.038 -8.698 1.00 0.39 N ATOM 450 CA LYS A 29 0.810 -2.367 -8.478 1.00 0.43 C ATOM 451 C LYS A 29 -0.243 -3.256 -7.912 1.00 0.44 C ATOM 452 O LYS A 29 -0.357 -4.422 -8.287 1.00 0.54 O ATOM 453 CB LYS A 29 2.146 -2.422 -7.718 1.00 0.54 C ATOM 454 CG LYS A 29 3.316 -1.856 -8.524 1.00 0.65 C ATOM 455 CD LYS A 29 4.675 -2.190 -7.905 1.00 1.08 C ATOM 456 CE LYS A 29 5.714 -1.204 -8.443 1.00 1.24 C ATOM 457 NZ LYS A 29 5.939 -1.293 -9.903 1.00 1.44 N ATOM 0 H LYS A 29 0.873 -0.346 -8.185 1.00 0.39 H new ATOM 0 HA LYS A 29 1.050 -2.771 -9.461 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.051 -1.865 -6.786 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.363 -3.456 -7.450 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.277 -2.250 -9.539 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.211 -0.774 -8.598 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.621 -2.127 -6.818 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.961 -3.213 -8.151 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.397 -0.190 -8.197 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.660 -1.376 -7.930 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.691 -0.630 -10.179 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.223 -2.262 -10.152 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.061 -1.050 -10.405 1.00 1.44 H new ATOM 471 N ILE A 30 -1.152 -2.842 -7.012 1.00 0.41 N ATOM 472 CA ILE A 30 -2.269 -3.547 -6.466 1.00 0.44 C ATOM 473 C ILE A 30 -3.378 -3.611 -7.460 1.00 0.45 C ATOM 474 O ILE A 30 -4.151 -4.567 -7.482 1.00 0.56 O ATOM 475 CB ILE A 30 -2.745 -2.954 -5.174 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.640 -3.159 -4.124 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.996 -3.658 -4.620 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.851 -2.332 -2.857 1.00 1.32 C ATOM 0 H ILE A 30 -1.093 -1.901 -6.624 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.934 -4.560 -6.242 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.982 -1.907 -5.366 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.593 -4.215 -3.857 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.677 -2.898 -4.564 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.295 -3.186 -3.684 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.808 -3.578 -5.342 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.772 -4.710 -4.441 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.037 -2.523 -2.158 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.869 -1.273 -3.113 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.798 -2.609 -2.395 1.00 1.32 H new ATOM 490 N GLN A 31 -3.563 -2.660 -8.393 1.00 0.41 N ATOM 491 CA GLN A 31 -4.454 -2.766 -9.507 1.00 0.48 C ATOM 492 C GLN A 31 -4.052 -3.754 -10.548 1.00 0.52 C ATOM 493 O GLN A 31 -4.863 -4.413 -11.195 1.00 0.66 O ATOM 494 CB GLN A 31 -4.699 -1.331 -10.005 1.00 0.52 C ATOM 495 CG GLN A 31 -6.037 -1.208 -10.736 1.00 0.70 C ATOM 496 CD GLN A 31 -6.027 0.199 -11.316 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.064 0.936 -11.115 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.151 0.629 -11.950 1.00 1.43 N ATOM 0 H GLN A 31 -3.065 -1.770 -8.369 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.399 -3.209 -9.193 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.682 -0.644 -9.159 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.890 -1.034 -10.673 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.132 -1.960 -11.520 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.876 -1.350 -10.055 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.930 -0.013 -12.098 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.215 1.593 -12.277 1.00 1.43 H new ATOM 507 N ASP A 32 -2.751 -3.791 -10.892 1.00 0.50 N ATOM 508 CA ASP A 32 -2.130 -4.802 -11.690 1.00 0.60 C ATOM 509 C ASP A 32 -2.347 -6.171 -11.142 1.00 0.65 C ATOM 510 O ASP A 32 -2.691 -7.111 -11.856 1.00 0.81 O ATOM 511 CB ASP A 32 -0.706 -4.416 -12.126 1.00 0.67 C ATOM 512 CG ASP A 32 -0.126 -5.351 -13.177 1.00 0.91 C ATOM 513 OD1 ASP A 32 -0.585 -5.257 -14.347 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.673 -6.276 -12.874 1.00 1.51 O ATOM 0 H ASP A 32 -2.094 -3.070 -10.594 1.00 0.50 H new ATOM 0 HA ASP A 32 -2.646 -4.861 -12.648 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.717 -3.400 -12.520 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.054 -4.413 -11.253 1.00 0.67 H new ATOM 519 N LYS A 33 -2.099 -6.374 -9.836 1.00 0.62 N ATOM 520 CA LYS A 33 -2.221 -7.658 -9.219 1.00 0.73 C ATOM 521 C LYS A 33 -3.628 -8.129 -9.087 1.00 0.69 C ATOM 522 O LYS A 33 -4.082 -9.025 -9.796 1.00 0.83 O ATOM 523 CB LYS A 33 -1.504 -7.618 -7.859 1.00 0.85 C ATOM 524 CG LYS A 33 -1.627 -8.921 -7.067 1.00 1.31 C ATOM 525 CD LYS A 33 -1.074 -10.208 -7.682 1.00 1.71 C ATOM 526 CE LYS A 33 0.375 -10.121 -8.165 1.00 2.26 C ATOM 527 NZ LYS A 33 0.908 -11.493 -8.324 1.00 2.62 N ATOM 0 H LYS A 33 -1.809 -5.634 -9.197 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.747 -8.391 -9.872 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.449 -7.398 -8.020 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.913 -6.801 -7.265 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.131 -8.773 -6.108 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.684 -9.082 -6.858 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.148 -11.007 -6.944 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.706 -10.492 -8.524 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.425 -9.584 -9.112 1.00 2.26 H new ATOM 0 HE3 LYS A 33 0.978 -9.562 -7.450 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 1.894 -11.447 -8.652 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.870 -11.988 -7.410 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.335 -12.009 -9.021 1.00 2.62 H new ATOM 541 N GLU A 34 -4.326 -7.407 -8.191 1.00 0.63 N ATOM 542 CA GLU A 34 -5.602 -7.832 -7.704 1.00 0.67 C ATOM 543 C GLU A 34 -6.690 -7.268 -8.552 1.00 0.69 C ATOM 544 O GLU A 34 -7.616 -7.972 -8.951 1.00 0.95 O ATOM 545 CB GLU A 34 -5.831 -7.383 -6.252 1.00 0.73 C ATOM 546 CG GLU A 34 -4.962 -8.024 -5.168 1.00 0.83 C ATOM 547 CD GLU A 34 -5.482 -9.427 -4.889 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.714 -9.581 -4.675 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.716 -10.428 -4.874 1.00 1.48 O ATOM 0 H GLU A 34 -4.003 -6.522 -7.801 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.617 -8.921 -7.744 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.684 -6.304 -6.207 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.875 -7.573 -6.002 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.922 -8.064 -5.493 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.989 -7.424 -4.259 1.00 0.83 H new ATOM 556 N GLY A 35 -6.648 -5.952 -8.828 1.00 0.63 N ATOM 557 CA GLY A 35 -7.645 -5.294 -9.613 1.00 0.68 C ATOM 558 C GLY A 35 -8.554 -4.397 -8.846 1.00 0.76 C ATOM 559 O GLY A 35 -9.744 -4.211 -9.097 1.00 1.12 O ATOM 0 H GLY A 35 -5.907 -5.333 -8.499 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.149 -4.709 -10.388 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.246 -6.050 -10.119 1.00 0.68 H new ATOM 563 N ILE A 36 -7.988 -3.788 -7.789 1.00 0.70 N ATOM 564 CA ILE A 36 -8.708 -2.935 -6.895 1.00 0.76 C ATOM 565 C ILE A 36 -8.491 -1.587 -7.491 1.00 0.71 C ATOM 566 O ILE A 36 -7.325 -1.221 -7.638 1.00 0.73 O ATOM 567 CB ILE A 36 -8.189 -3.090 -5.496 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.122 -4.572 -5.092 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.002 -2.198 -4.542 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.782 -4.570 -3.603 1.00 1.16 C ATOM 0 H ILE A 36 -7.002 -3.892 -7.549 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.771 -3.154 -6.796 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.158 -2.742 -5.434 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.072 -5.073 -5.278 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.364 -5.103 -5.668 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.624 -2.312 -3.526 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.908 -1.156 -4.849 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.051 -2.493 -4.574 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.717 -5.597 -3.243 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.825 -4.071 -3.449 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.560 -4.041 -3.053 1.00 1.16 H new ATOM 582 N PRO A 37 -9.463 -0.761 -7.740 1.00 0.75 N ATOM 583 CA PRO A 37 -9.240 0.524 -8.334 1.00 0.79 C ATOM 584 C PRO A 37 -8.696 1.519 -7.367 1.00 0.75 C ATOM 585 O PRO A 37 -9.118 1.388 -6.219 1.00 0.75 O ATOM 586 CB PRO A 37 -10.630 0.999 -8.751 1.00 0.95 C ATOM 587 CG PRO A 37 -11.633 0.168 -7.935 1.00 1.02 C ATOM 588 CD PRO A 37 -10.861 -1.156 -7.821 1.00 0.85 C ATOM 0 HA PRO A 37 -8.519 0.440 -9.147 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.753 2.063 -8.551 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.785 0.856 -9.820 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.845 0.611 -6.962 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.588 0.050 -8.446 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.166 -1.718 -6.938 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.043 -1.796 -8.684 1.00 0.85 H new ATOM 596 N PRO A 38 -7.768 2.402 -7.593 1.00 0.81 N ATOM 597 CA PRO A 38 -7.116 3.201 -6.598 1.00 0.85 C ATOM 598 C PRO A 38 -8.039 4.201 -5.992 1.00 0.89 C ATOM 599 O PRO A 38 -7.594 4.916 -5.094 1.00 0.99 O ATOM 600 CB PRO A 38 -5.980 4.007 -7.225 1.00 1.01 C ATOM 601 CG PRO A 38 -5.626 3.129 -8.436 1.00 1.25 C ATOM 602 CD PRO A 38 -6.950 2.437 -8.796 1.00 0.98 C ATOM 0 HA PRO A 38 -6.757 2.505 -5.840 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.299 5.007 -7.520 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -5.137 4.129 -6.544 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.250 3.727 -9.266 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.851 2.403 -8.189 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.462 2.979 -9.592 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.767 1.428 -9.164 1.00 0.98 H new ATOM 610 N ASP A 39 -9.316 4.252 -6.412 1.00 0.96 N ATOM 611 CA ASP A 39 -10.307 4.977 -5.680 1.00 1.11 C ATOM 612 C ASP A 39 -10.569 4.407 -4.329 1.00 1.00 C ATOM 613 O ASP A 39 -10.910 5.097 -3.369 1.00 1.14 O ATOM 614 CB ASP A 39 -11.587 5.074 -6.529 1.00 1.39 C ATOM 615 CG ASP A 39 -11.364 5.436 -7.990 1.00 1.73 C ATOM 616 OD1 ASP A 39 -11.168 6.627 -8.352 1.00 2.25 O ATOM 617 OD2 ASP A 39 -11.460 4.480 -8.805 1.00 2.23 O ATOM 0 H ASP A 39 -9.661 3.793 -7.255 1.00 0.96 H new ATOM 0 HA ASP A 39 -9.926 5.980 -5.490 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -12.109 4.118 -6.483 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -12.246 5.819 -6.082 1.00 1.39 H new ATOM 622 N GLN A 40 -10.653 3.066 -4.283 1.00 0.87 N ATOM 623 CA GLN A 40 -10.973 2.310 -3.113 1.00 0.84 C ATOM 624 C GLN A 40 -9.812 2.251 -2.180 1.00 0.67 C ATOM 625 O GLN A 40 -9.889 2.083 -0.964 1.00 0.80 O ATOM 626 CB GLN A 40 -11.421 0.893 -3.510 1.00 0.95 C ATOM 627 CG GLN A 40 -12.816 0.856 -4.136 1.00 1.32 C ATOM 628 CD GLN A 40 -13.137 -0.592 -4.481 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.416 -1.578 -4.342 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.324 -0.682 -5.139 1.00 2.02 N ATOM 0 H GLN A 40 -10.490 2.481 -5.102 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.792 2.807 -2.594 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.702 0.476 -4.215 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.409 0.254 -2.627 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.556 1.256 -3.443 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.849 1.478 -5.031 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.912 0.145 -5.246 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.627 -1.576 -5.525 1.00 2.02 H new ATOM 639 N GLN A 41 -8.581 2.360 -2.713 1.00 0.56 N ATOM 640 CA GLN A 41 -7.383 2.097 -1.979 1.00 0.51 C ATOM 641 C GLN A 41 -6.810 3.145 -1.088 1.00 0.49 C ATOM 642 O GLN A 41 -6.493 4.241 -1.550 1.00 0.65 O ATOM 643 CB GLN A 41 -6.328 1.662 -3.010 1.00 0.67 C ATOM 644 CG GLN A 41 -6.620 0.424 -3.861 1.00 0.69 C ATOM 645 CD GLN A 41 -5.411 0.033 -4.699 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.387 -0.339 -4.129 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.555 0.212 -6.039 1.00 0.61 N ATOM 0 H GLN A 41 -8.415 2.638 -3.680 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.673 1.343 -1.248 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.158 2.499 -3.687 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.393 1.488 -2.477 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.901 -0.407 -3.214 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.470 0.621 -4.514 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.449 0.525 -6.419 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.769 0.033 -6.665 1.00 0.61 H new ATOM 656 N ARG A 42 -6.649 2.825 0.208 1.00 0.47 N ATOM 657 CA ARG A 42 -5.979 3.507 1.271 1.00 0.55 C ATOM 658 C ARG A 42 -4.841 2.669 1.743 1.00 0.46 C ATOM 659 O ARG A 42 -4.869 1.467 2.004 1.00 0.52 O ATOM 660 CB ARG A 42 -6.883 3.881 2.459 1.00 0.73 C ATOM 661 CG ARG A 42 -6.239 4.684 3.590 1.00 1.04 C ATOM 662 CD ARG A 42 -7.267 5.088 4.648 1.00 1.28 C ATOM 663 NE ARG A 42 -8.077 6.173 4.025 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.245 6.576 4.607 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.757 6.136 5.794 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.921 7.679 4.176 1.00 2.78 N ATOM 0 H ARG A 42 -7.052 1.955 0.556 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.631 4.455 0.860 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.729 4.452 2.076 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.286 2.961 2.882 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.451 4.092 4.055 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.767 5.577 3.180 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.894 4.242 4.928 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.778 5.437 5.557 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.759 6.615 3.163 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.253 5.436 6.338 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.643 6.508 6.136 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.557 8.229 3.398 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.791 7.954 4.632 1.00 2.78 H new ATOM 680 N LEU A 43 -3.671 3.285 1.985 1.00 0.46 N ATOM 681 CA LEU A 43 -2.490 2.643 2.472 1.00 0.42 C ATOM 682 C LEU A 43 -2.009 3.190 3.773 1.00 0.43 C ATOM 683 O LEU A 43 -1.761 4.392 3.848 1.00 0.55 O ATOM 684 CB LEU A 43 -1.368 2.621 1.421 1.00 0.55 C ATOM 685 CG LEU A 43 -1.735 1.814 0.164 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.909 2.158 -1.086 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.593 0.330 0.543 1.00 1.12 C ATOM 0 H LEU A 43 -3.542 4.285 1.833 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.781 1.611 2.667 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.129 3.644 1.132 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.468 2.198 1.867 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.754 2.068 -0.130 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -1.238 1.540 -1.921 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -1.048 3.210 -1.336 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.146 1.969 -0.888 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.843 -0.291 -0.317 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.566 0.129 0.849 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.269 0.098 1.366 1.00 1.12 H new ATOM 699 N ILE A 44 -2.035 2.431 4.884 1.00 0.42 N ATOM 700 CA ILE A 44 -1.468 2.837 6.132 1.00 0.46 C ATOM 701 C ILE A 44 -0.172 2.111 6.243 1.00 0.42 C ATOM 702 O ILE A 44 0.066 0.963 5.869 1.00 0.53 O ATOM 703 CB ILE A 44 -2.385 2.479 7.264 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.794 3.086 7.154 1.00 1.05 C ATOM 705 CG2 ILE A 44 -1.785 3.040 8.564 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.011 4.575 6.892 1.00 1.27 C ATOM 0 H ILE A 44 -2.464 1.506 4.914 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.321 3.916 6.179 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.478 1.393 7.243 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.308 2.548 6.358 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.312 2.851 8.084 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.436 2.791 9.402 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -0.800 2.604 8.728 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.693 4.123 8.485 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.080 4.786 6.852 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -3.556 5.156 7.695 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.552 4.848 5.942 1.00 1.27 H new ATOM 718 N PHE A 45 0.864 2.759 6.804 1.00 0.42 N ATOM 719 CA PHE A 45 2.080 2.219 7.328 1.00 0.46 C ATOM 720 C PHE A 45 2.364 2.803 8.668 1.00 0.68 C ATOM 721 O PHE A 45 2.482 4.005 8.904 1.00 1.50 O ATOM 722 CB PHE A 45 3.313 2.519 6.457 1.00 0.56 C ATOM 723 CG PHE A 45 4.551 1.850 6.947 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.674 0.480 6.941 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.539 2.622 7.512 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.811 -0.120 7.428 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.650 1.997 8.025 1.00 1.33 C ATOM 728 CZ PHE A 45 6.811 0.631 7.999 1.00 1.02 C ATOM 0 H PHE A 45 0.844 3.774 6.899 1.00 0.42 H new ATOM 0 HA PHE A 45 1.922 1.141 7.364 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.115 2.199 5.434 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.476 3.596 6.428 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.872 -0.129 6.551 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.444 3.697 7.552 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.920 -1.192 7.361 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.428 2.602 8.466 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.693 0.165 8.413 1.00 1.02 H new ATOM 738 N ALA A 46 2.549 1.905 9.653 1.00 0.81 N ATOM 739 CA ALA A 46 2.684 2.190 11.047 1.00 0.96 C ATOM 740 C ALA A 46 1.473 2.845 11.618 1.00 0.97 C ATOM 741 O ALA A 46 0.417 2.259 11.855 1.00 1.21 O ATOM 742 CB ALA A 46 3.913 3.078 11.302 1.00 1.20 C ATOM 0 H ALA A 46 2.608 0.906 9.458 1.00 0.81 H new ATOM 0 HA ALA A 46 2.810 1.230 11.548 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.998 3.284 12.369 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.811 2.564 10.959 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.802 4.017 10.759 1.00 1.20 H new ATOM 748 N GLY A 47 1.505 4.189 11.674 1.00 0.99 N ATOM 749 CA GLY A 47 0.419 5.007 12.116 1.00 1.10 C ATOM 750 C GLY A 47 0.266 6.215 11.256 1.00 1.03 C ATOM 751 O GLY A 47 -0.290 7.217 11.702 1.00 1.30 O ATOM 0 H GLY A 47 2.325 4.729 11.399 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.504 4.428 12.101 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.588 5.312 13.149 1.00 1.10 H new ATOM 755 N LYS A 48 0.804 6.205 10.024 1.00 0.98 N ATOM 756 CA LYS A 48 0.716 7.201 9.003 1.00 1.05 C ATOM 757 C LYS A 48 -0.095 6.688 7.863 1.00 0.84 C ATOM 758 O LYS A 48 0.105 5.582 7.363 1.00 0.81 O ATOM 759 CB LYS A 48 2.143 7.623 8.613 1.00 1.42 C ATOM 760 CG LYS A 48 2.903 8.222 9.798 1.00 1.61 C ATOM 761 CD LYS A 48 4.375 8.408 9.427 1.00 1.87 C ATOM 762 CE LYS A 48 5.192 8.898 10.624 1.00 2.22 C ATOM 763 NZ LYS A 48 6.634 8.714 10.346 1.00 2.55 N ATOM 0 H LYS A 48 1.361 5.410 9.712 1.00 0.98 H new ATOM 0 HA LYS A 48 0.199 8.093 9.357 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.686 6.758 8.233 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.098 8.352 7.804 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.465 9.180 10.076 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.817 7.568 10.666 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.784 7.464 9.067 1.00 1.87 H new ATOM 0 HD3 LYS A 48 4.459 9.124 8.609 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.979 9.949 10.817 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.910 8.346 11.521 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 7.190 9.047 11.160 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.830 7.706 10.182 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 6.897 9.260 9.501 1.00 2.55 H new ATOM 777 N GLN A 49 -1.002 7.550 7.370 1.00 0.84 N ATOM 778 CA GLN A 49 -1.780 7.471 6.172 1.00 0.80 C ATOM 779 C GLN A 49 -1.004 8.039 5.034 1.00 0.72 C ATOM 780 O GLN A 49 -0.830 9.254 4.959 1.00 0.83 O ATOM 781 CB GLN A 49 -3.125 8.199 6.328 1.00 1.03 C ATOM 782 CG GLN A 49 -4.079 7.731 5.228 1.00 1.67 C ATOM 783 CD GLN A 49 -5.458 8.364 5.355 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.308 7.806 6.046 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.603 9.520 4.652 1.00 2.48 N ATOM 0 H GLN A 49 -1.213 8.409 7.878 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.999 6.422 5.970 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.553 7.993 7.309 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -2.978 9.277 6.265 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.656 7.977 4.254 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.174 6.646 5.269 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.821 9.889 4.111 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.493 10.017 4.666 1.00 2.48 H new ATOM 794 N LEU A 50 -0.393 7.199 4.179 1.00 0.69 N ATOM 795 CA LEU A 50 0.562 7.508 3.160 1.00 0.66 C ATOM 796 C LEU A 50 -0.045 8.209 1.994 1.00 0.72 C ATOM 797 O LEU A 50 -1.036 7.794 1.397 1.00 0.90 O ATOM 798 CB LEU A 50 1.250 6.234 2.639 1.00 0.65 C ATOM 799 CG LEU A 50 1.715 5.244 3.720 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.352 4.030 3.021 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.685 5.871 4.737 1.00 0.74 C ATOM 0 H LEU A 50 -0.591 6.199 4.207 1.00 0.69 H new ATOM 0 HA LEU A 50 1.287 8.170 3.632 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.561 5.718 1.970 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.114 6.527 2.043 1.00 0.65 H new ATOM 0 HG LEU A 50 0.846 4.937 4.302 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.689 3.314 3.771 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.616 3.556 2.372 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.203 4.359 2.424 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.976 5.121 5.473 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.572 6.233 4.218 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.195 6.704 5.242 1.00 0.74 H new ATOM 813 N GLU A 51 0.520 9.405 1.750 1.00 0.70 N ATOM 814 CA GLU A 51 0.218 10.251 0.638 1.00 0.76 C ATOM 815 C GLU A 51 0.774 9.836 -0.681 1.00 0.77 C ATOM 816 O GLU A 51 1.946 9.489 -0.819 1.00 1.23 O ATOM 817 CB GLU A 51 0.735 11.680 0.873 1.00 0.88 C ATOM 818 CG GLU A 51 0.132 12.233 2.165 1.00 1.35 C ATOM 819 CD GLU A 51 0.876 13.506 2.542 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.989 14.490 1.762 1.00 1.89 O ATOM 821 OE2 GLU A 51 1.314 13.530 3.722 1.00 1.94 O ATOM 0 H GLU A 51 1.229 9.804 2.365 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.868 10.181 0.584 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.823 11.679 0.938 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.467 12.318 0.031 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.929 12.441 2.028 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.212 11.497 2.965 1.00 1.35 H new ATOM 828 N ASP A 52 -0.111 9.884 -1.693 1.00 0.66 N ATOM 829 CA ASP A 52 -0.004 9.476 -3.059 1.00 0.65 C ATOM 830 C ASP A 52 1.241 9.877 -3.772 1.00 0.60 C ATOM 831 O ASP A 52 1.922 9.043 -4.367 1.00 0.62 O ATOM 832 CB ASP A 52 -1.210 9.973 -3.873 1.00 0.81 C ATOM 833 CG ASP A 52 -2.522 9.552 -3.226 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.911 8.356 -3.140 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.205 10.469 -2.698 1.00 1.44 O ATOM 0 H ASP A 52 -1.040 10.268 -1.519 1.00 0.66 H new ATOM 0 HA ASP A 52 0.025 8.388 -2.994 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.174 11.059 -3.955 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.157 9.575 -4.886 1.00 0.81 H new ATOM 840 N GLY A 53 1.559 11.184 -3.788 1.00 0.68 N ATOM 841 CA GLY A 53 2.772 11.739 -4.304 1.00 0.73 C ATOM 842 C GLY A 53 3.975 11.738 -3.426 1.00 0.72 C ATOM 843 O GLY A 53 4.943 12.420 -3.760 1.00 0.97 O ATOM 0 H GLY A 53 0.930 11.896 -3.418 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.025 11.198 -5.216 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.570 12.771 -4.592 1.00 0.73 H new ATOM 847 N ARG A 54 4.001 11.070 -2.259 1.00 0.64 N ATOM 848 CA ARG A 54 5.206 10.779 -1.548 1.00 0.63 C ATOM 849 C ARG A 54 5.723 9.447 -1.970 1.00 0.59 C ATOM 850 O ARG A 54 5.095 8.689 -2.708 1.00 0.62 O ATOM 851 CB ARG A 54 4.959 10.729 -0.030 1.00 0.69 C ATOM 852 CG ARG A 54 4.796 12.129 0.568 1.00 0.82 C ATOM 853 CD ARG A 54 6.107 12.683 1.132 1.00 1.18 C ATOM 854 NE ARG A 54 5.931 13.967 1.867 1.00 1.50 N ATOM 855 CZ ARG A 54 6.976 14.602 2.475 1.00 2.00 C ATOM 856 NH1 ARG A 54 8.223 14.104 2.714 1.00 2.48 N ATOM 857 NH2 ARG A 54 6.858 15.870 2.966 1.00 2.49 N ATOM 0 H ARG A 54 3.160 10.723 -1.797 1.00 0.64 H new ATOM 0 HA ARG A 54 5.923 11.568 -1.773 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.064 10.141 0.173 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.791 10.221 0.457 1.00 0.69 H new ATOM 0 HG2 ARG A 54 4.419 12.806 -0.199 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.048 12.097 1.360 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.548 11.945 1.802 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.813 12.833 0.315 1.00 1.18 H new ATOM 0 HE ARG A 54 5.002 14.384 1.918 1.00 1.50 H new ATOM 0 HH11 ARG A 54 8.456 13.154 2.427 1.00 2.48 H new ATOM 0 HH12 ARG A 54 8.922 14.682 3.180 1.00 2.48 H new ATOM 0 HH21 ARG A 54 5.972 16.368 2.884 1.00 2.49 H new ATOM 0 HH22 ARG A 54 7.656 16.319 3.415 1.00 2.49 H new ATOM 871 N THR A 55 6.992 9.172 -1.620 1.00 0.63 N ATOM 872 CA THR A 55 7.617 7.923 -1.924 1.00 0.61 C ATOM 873 C THR A 55 7.514 6.933 -0.814 1.00 0.59 C ATOM 874 O THR A 55 7.010 7.275 0.255 1.00 0.64 O ATOM 875 CB THR A 55 8.987 8.100 -2.509 1.00 0.68 C ATOM 876 OG1 THR A 55 9.963 8.574 -1.595 1.00 0.75 O ATOM 877 CG2 THR A 55 8.928 9.113 -3.664 1.00 0.76 C ATOM 0 H THR A 55 7.593 9.826 -1.119 1.00 0.63 H new ATOM 0 HA THR A 55 7.042 7.460 -2.726 1.00 0.61 H new ATOM 0 HB THR A 55 9.287 7.103 -2.831 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.518 8.997 -0.831 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.924 9.240 -4.088 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.250 8.747 -4.435 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.568 10.071 -3.289 1.00 0.76 H new ATOM 885 N LEU A 56 8.021 5.701 -0.994 1.00 0.58 N ATOM 886 CA LEU A 56 8.148 4.709 0.028 1.00 0.59 C ATOM 887 C LEU A 56 9.255 4.935 1.001 1.00 0.64 C ATOM 888 O LEU A 56 9.273 4.549 2.169 1.00 0.70 O ATOM 889 CB LEU A 56 8.371 3.357 -0.668 1.00 0.60 C ATOM 890 CG LEU A 56 7.052 2.815 -1.242 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.237 2.113 -2.598 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.302 1.802 -0.360 1.00 1.03 C ATOM 0 H LEU A 56 8.360 5.380 -1.901 1.00 0.58 H new ATOM 0 HA LEU A 56 7.233 4.748 0.618 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.102 3.471 -1.469 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.785 2.641 0.042 1.00 0.60 H new ATOM 0 HG LEU A 56 6.463 3.729 -1.320 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.273 1.751 -2.955 1.00 1.05 H new ATOM 0 HD12 LEU A 56 7.649 2.818 -3.320 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.920 1.272 -2.482 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.388 1.488 -0.864 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.936 0.933 -0.184 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.050 2.266 0.593 1.00 1.03 H new ATOM 904 N SER A 57 10.305 5.625 0.523 1.00 0.68 N ATOM 905 CA SER A 57 11.501 6.113 1.135 1.00 0.75 C ATOM 906 C SER A 57 11.355 7.211 2.132 1.00 0.76 C ATOM 907 O SER A 57 11.934 7.130 3.214 1.00 0.84 O ATOM 908 CB SER A 57 12.596 6.593 0.168 1.00 0.84 C ATOM 909 OG SER A 57 13.810 6.669 0.900 1.00 1.19 O ATOM 0 H SER A 57 10.306 5.880 -0.465 1.00 0.68 H new ATOM 0 HA SER A 57 11.791 5.192 1.640 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.696 5.903 -0.670 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.339 7.566 -0.249 1.00 0.84 H new ATOM 0 HG SER A 57 14.530 6.972 0.308 1.00 1.19 H new ATOM 915 N ASP A 58 10.465 8.185 1.869 1.00 0.75 N ATOM 916 CA ASP A 58 10.083 9.293 2.688 1.00 0.78 C ATOM 917 C ASP A 58 9.613 8.796 4.013 1.00 0.77 C ATOM 918 O ASP A 58 10.104 9.225 5.056 1.00 0.86 O ATOM 919 CB ASP A 58 8.827 10.054 2.233 1.00 0.83 C ATOM 920 CG ASP A 58 9.162 10.974 1.067 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.174 10.433 -0.071 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.489 12.175 1.256 1.00 1.86 O ATOM 0 H ASP A 58 9.959 8.194 0.983 1.00 0.75 H new ATOM 0 HA ASP A 58 10.972 9.923 2.668 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.052 9.347 1.937 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.426 10.637 3.062 1.00 0.83 H new ATOM 927 N TYR A 59 8.744 7.771 4.049 1.00 0.72 N ATOM 928 CA TYR A 59 8.247 7.116 5.220 1.00 0.73 C ATOM 929 C TYR A 59 9.116 6.051 5.794 1.00 0.76 C ATOM 930 O TYR A 59 8.736 5.424 6.781 1.00 0.89 O ATOM 931 CB TYR A 59 6.891 6.474 4.880 1.00 0.73 C ATOM 932 CG TYR A 59 5.977 7.609 4.569 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.445 8.464 5.505 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.637 7.727 3.242 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.543 9.438 5.145 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.618 8.577 2.881 1.00 0.70 C ATOM 937 CZ TYR A 59 4.129 9.439 3.834 1.00 0.74 C ATOM 938 OH TYR A 59 3.060 10.242 3.382 1.00 0.86 O ATOM 0 H TYR A 59 8.360 7.370 3.194 1.00 0.72 H new ATOM 0 HA TYR A 59 8.190 7.897 5.978 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.980 5.798 4.030 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.515 5.886 5.717 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.740 8.369 6.540 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.165 7.158 2.491 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.179 10.165 5.856 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.214 8.568 1.879 1.00 0.70 H new ATOM 0 HH TYR A 59 3.157 10.404 2.420 1.00 0.86 H new ATOM 948 N ASN A 60 10.271 5.784 5.156 1.00 0.74 N ATOM 949 CA ASN A 60 11.317 4.887 5.533 1.00 0.79 C ATOM 950 C ASN A 60 10.862 3.470 5.570 1.00 0.75 C ATOM 951 O ASN A 60 11.149 2.706 6.490 1.00 0.86 O ATOM 952 CB ASN A 60 11.871 5.314 6.904 1.00 0.95 C ATOM 953 CG ASN A 60 13.300 4.822 7.085 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.821 4.069 6.264 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.903 5.157 8.258 1.00 1.83 N ATOM 0 H ASN A 60 10.492 6.252 4.277 1.00 0.74 H new ATOM 0 HA ASN A 60 12.102 4.941 4.778 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.841 6.400 6.991 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.240 4.913 7.697 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.823 4.780 8.484 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.435 5.785 8.911 1.00 1.83 H new ATOM 962 N ILE A 61 10.153 3.008 4.524 1.00 0.67 N ATOM 963 CA ILE A 61 9.638 1.688 4.332 1.00 0.65 C ATOM 964 C ILE A 61 10.668 0.802 3.720 1.00 0.66 C ATOM 965 O ILE A 61 11.323 1.141 2.736 1.00 0.75 O ATOM 966 CB ILE A 61 8.412 1.625 3.471 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.268 2.319 4.231 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.095 0.227 2.914 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.125 2.897 3.397 1.00 0.82 C ATOM 0 H ILE A 61 9.920 3.618 3.741 1.00 0.67 H new ATOM 0 HA ILE A 61 9.363 1.351 5.332 1.00 0.65 H new ATOM 0 HB ILE A 61 8.585 2.171 2.544 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.844 1.601 4.933 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.697 3.128 4.822 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.193 0.274 2.303 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.929 -0.119 2.303 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.938 -0.467 3.740 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.389 3.356 4.057 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.518 3.649 2.713 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.652 2.099 2.825 1.00 0.82 H new ATOM 981 N GLN A 62 10.954 -0.405 4.238 1.00 0.67 N ATOM 982 CA GLN A 62 12.003 -1.282 3.817 1.00 0.70 C ATOM 983 C GLN A 62 11.475 -2.557 3.256 1.00 0.62 C ATOM 984 O GLN A 62 10.274 -2.819 3.271 1.00 0.64 O ATOM 985 CB GLN A 62 12.825 -1.607 5.076 1.00 0.85 C ATOM 986 CG GLN A 62 12.238 -2.263 6.328 1.00 1.27 C ATOM 987 CD GLN A 62 13.307 -2.792 7.273 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.286 -3.963 7.649 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.098 -1.893 7.918 1.00 2.16 N ATOM 0 H GLN A 62 10.412 -0.796 5.008 1.00 0.67 H new ATOM 0 HA GLN A 62 12.590 -0.800 3.036 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.643 -2.249 4.750 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.268 -0.666 5.403 1.00 0.85 H new ATOM 0 HG2 GLN A 62 11.619 -1.538 6.856 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.584 -3.083 6.030 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.120 -0.921 7.611 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.669 -2.191 8.709 1.00 2.16 H new ATOM 998 N LYS A 63 12.329 -3.452 2.728 1.00 0.64 N ATOM 999 CA LYS A 63 11.955 -4.786 2.373 1.00 0.62 C ATOM 1000 C LYS A 63 11.237 -5.531 3.446 1.00 0.59 C ATOM 1001 O LYS A 63 11.471 -5.340 4.638 1.00 0.66 O ATOM 1002 CB LYS A 63 13.130 -5.649 1.882 1.00 0.74 C ATOM 1003 CG LYS A 63 14.207 -5.949 2.926 1.00 0.89 C ATOM 1004 CD LYS A 63 15.254 -6.943 2.419 1.00 1.11 C ATOM 1005 CE LYS A 63 16.653 -6.991 3.036 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.557 -7.853 4.235 1.00 2.12 N ATOM 0 H LYS A 63 13.310 -3.241 2.542 1.00 0.64 H new ATOM 0 HA LYS A 63 11.263 -4.623 1.547 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.734 -6.595 1.512 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.599 -5.147 1.036 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.701 -5.020 3.211 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.736 -6.349 3.824 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.825 -7.940 2.521 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.381 -6.758 1.352 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.376 -7.394 2.326 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.993 -5.991 3.304 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.489 -7.917 4.692 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.872 -7.445 4.902 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.243 -8.804 3.955 1.00 2.12 H new ATOM 1020 N GLU A 64 10.280 -6.436 3.175 1.00 0.57 N ATOM 1021 CA GLU A 64 9.502 -7.304 4.003 1.00 0.58 C ATOM 1022 C GLU A 64 8.627 -6.540 4.935 1.00 0.56 C ATOM 1023 O GLU A 64 8.152 -7.010 5.968 1.00 0.70 O ATOM 1024 CB GLU A 64 10.404 -8.305 4.746 1.00 0.72 C ATOM 1025 CG GLU A 64 11.384 -9.057 3.843 1.00 0.96 C ATOM 1026 CD GLU A 64 11.884 -10.300 4.566 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.682 -10.189 5.534 1.00 1.71 O ATOM 1028 OE2 GLU A 64 11.620 -11.431 4.080 1.00 1.69 O ATOM 0 H GLU A 64 10.012 -6.576 2.201 1.00 0.57 H new ATOM 0 HA GLU A 64 8.839 -7.878 3.356 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.968 -7.770 5.510 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.775 -9.029 5.263 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.895 -9.337 2.910 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.223 -8.412 3.582 1.00 0.96 H new ATOM 1035 N SER A 65 8.286 -5.275 4.628 1.00 0.51 N ATOM 1036 CA SER A 65 7.475 -4.474 5.489 1.00 0.51 C ATOM 1037 C SER A 65 6.059 -4.683 5.074 1.00 0.43 C ATOM 1038 O SER A 65 5.754 -4.998 3.924 1.00 0.50 O ATOM 1039 CB SER A 65 7.625 -2.949 5.363 1.00 0.65 C ATOM 1040 OG SER A 65 8.951 -2.509 5.620 1.00 1.04 O ATOM 0 H SER A 65 8.577 -4.803 3.772 1.00 0.51 H new ATOM 0 HA SER A 65 7.772 -4.777 6.493 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.331 -2.640 4.360 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.943 -2.461 6.059 1.00 0.65 H new ATOM 0 HG SER A 65 9.462 -2.506 4.784 1.00 1.04 H new ATOM 1046 N THR A 66 5.161 -4.452 6.048 1.00 0.45 N ATOM 1047 CA THR A 66 3.765 -4.657 5.814 1.00 0.45 C ATOM 1048 C THR A 66 3.037 -3.373 5.612 1.00 0.43 C ATOM 1049 O THR A 66 2.931 -2.551 6.520 1.00 0.58 O ATOM 1050 CB THR A 66 3.113 -5.479 6.886 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.728 -6.756 6.982 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.607 -5.616 6.606 1.00 0.78 C ATOM 0 H THR A 66 5.396 -4.128 6.986 1.00 0.45 H new ATOM 0 HA THR A 66 3.699 -5.227 4.887 1.00 0.45 H new ATOM 0 HB THR A 66 3.242 -4.972 7.842 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.291 -7.277 7.687 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.144 -6.215 7.391 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.149 -4.627 6.586 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.459 -6.104 5.642 1.00 0.78 H new ATOM 1060 N LEU A 67 2.445 -3.094 4.437 1.00 0.38 N ATOM 1061 CA LEU A 67 1.604 -1.964 4.187 1.00 0.38 C ATOM 1062 C LEU A 67 0.236 -2.531 4.358 1.00 0.37 C ATOM 1063 O LEU A 67 -0.088 -3.667 4.015 1.00 0.50 O ATOM 1064 CB LEU A 67 1.740 -1.306 2.803 1.00 0.46 C ATOM 1065 CG LEU A 67 2.824 -0.218 2.715 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.216 -0.678 3.182 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.815 0.316 1.273 1.00 1.31 C ATOM 0 H LEU A 67 2.560 -3.689 3.617 1.00 0.38 H new ATOM 0 HA LEU A 67 1.870 -1.147 4.858 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.960 -2.080 2.067 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.781 -0.868 2.528 1.00 0.46 H new ATOM 0 HG LEU A 67 2.588 0.583 3.416 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.922 0.147 3.088 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.164 -0.995 4.224 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.549 -1.513 2.565 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.572 1.093 1.168 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.032 -0.499 0.582 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.834 0.733 1.046 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.627 -1.776 5.062 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.957 -2.136 5.444 1.00 0.37 C ATOM 1081 C HIS A 68 -2.950 -1.479 4.548 1.00 0.35 C ATOM 1082 O HIS A 68 -3.149 -0.273 4.675 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.254 -1.728 6.897 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.461 -2.347 8.010 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.173 -1.991 8.355 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.721 -3.479 8.717 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.254 -2.934 9.238 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.628 -3.892 9.452 1.00 1.51 N ATOM 0 H HIS A 68 -0.374 -0.843 5.388 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.037 -3.220 5.358 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.128 -0.648 6.966 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.306 -1.939 7.088 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.670 -3.994 8.705 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.221 -2.902 9.717 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.527 -4.732 10.021 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.476 -2.270 3.595 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.432 -1.863 2.613 1.00 0.38 C ATOM 1098 C LEU A 69 -5.801 -1.842 3.201 1.00 0.41 C ATOM 1099 O LEU A 69 -6.280 -2.819 3.774 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.520 -2.840 1.429 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.550 -2.565 0.320 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.221 -1.260 -0.425 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.554 -3.805 -0.590 1.00 1.14 C ATOM 0 H LEU A 69 -3.217 -3.253 3.506 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.099 -0.881 2.276 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.536 -2.884 0.963 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.726 -3.831 1.833 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.551 -2.410 0.723 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.964 -1.088 -1.204 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.233 -0.427 0.278 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.233 -1.339 -0.878 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.272 -3.661 -1.398 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.559 -3.951 -1.010 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.834 -4.683 -0.008 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.419 -0.655 3.062 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.638 -0.269 3.702 1.00 0.56 C ATOM 1117 C VAL A 70 -8.570 0.194 2.635 1.00 0.55 C ATOM 1118 O VAL A 70 -8.165 1.058 1.858 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.349 0.717 4.794 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -8.635 1.450 5.209 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.737 -0.017 6.000 1.00 0.97 C ATOM 0 H VAL A 70 -6.042 0.081 2.465 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.134 -1.093 4.215 1.00 0.56 H new ATOM 0 HB VAL A 70 -6.638 1.458 4.428 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -8.408 2.162 6.002 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.044 1.982 4.350 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.366 0.726 5.569 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.527 0.700 6.794 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.439 -0.767 6.364 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.811 -0.505 5.697 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.783 -0.371 2.505 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.617 0.072 1.431 1.00 0.84 C ATOM 1133 C LEU A 71 -11.681 1.036 1.826 1.00 0.85 C ATOM 1134 O LEU A 71 -12.373 0.893 2.833 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.227 -1.139 0.705 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.130 -2.110 0.239 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.690 -3.297 -0.560 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.055 -1.390 -0.594 1.00 2.78 C ATOM 0 H LEU A 71 -10.172 -1.096 3.107 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.964 0.628 0.758 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.918 -1.657 1.371 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.806 -0.799 -0.154 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.675 -2.502 1.148 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.872 -3.950 -0.864 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.389 -3.857 0.062 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.207 -2.928 -1.446 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.296 -2.107 -0.906 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.516 -0.943 -1.475 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.591 -0.609 0.008 1.00 2.78 H new