USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 22 THR OG1 : rot -21:sc= 1.26 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.52 K(o=2.8,f=-8.3!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.382 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0558 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 173:sc= 0.646 (180deg=-0.00699) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 0.637 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.179 (180deg=-0.313) USER MOD Single : A 1 MET N :NH3+ 180:sc= 2.52 (180deg=2.52) USER MOD Single : A 2 GLN : amide:sc= -0.0808 K(o=-0.081,f=0.69) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 1.09 (180deg=0.997) 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 27 LYS NZ :NH3+ 180:sc= 2.07 (180deg=2.07) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0121) USER MOD Single : A 31 GLN : amide:sc=-0.00379 X(o=-0.0038,f=-0.26) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= -0.0128 (180deg=-0.0355) USER MOD Single : A 40 GLN : amide:sc= -0.789 K(o=-0.79,f=-2.8!) USER MOD Single : A 41 GLN : amide:sc= 0.296 K(o=0.3,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.48 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.267 USER MOD Single : A 60 ASN : amide:sc= -0.0472 X(o=-0.047,f=0) 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 91:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0624 X(o=-0.062,f=-0.062) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.020 -4.223 -4.219 1.00 0.78 N ATOM 2 CA MET A 1 12.721 -4.663 -2.838 1.00 0.70 C ATOM 3 C MET A 1 11.305 -5.057 -2.593 1.00 0.62 C ATOM 4 O MET A 1 10.381 -4.590 -3.259 1.00 0.68 O ATOM 5 CB MET A 1 13.228 -3.719 -1.735 1.00 0.75 C ATOM 6 CG MET A 1 12.396 -2.469 -1.443 1.00 0.79 C ATOM 7 SD MET A 1 13.207 -1.063 -0.624 1.00 1.10 S ATOM 8 CE MET A 1 11.583 -0.304 -0.333 1.00 0.84 C ATOM 0 H1 MET A 1 14.026 -3.970 -4.293 1.00 0.78 H new ATOM 0 H2 MET A 1 12.808 -4.995 -4.883 1.00 0.78 H new ATOM 0 H3 MET A 1 12.437 -3.394 -4.453 1.00 0.78 H new ATOM 0 HA MET A 1 13.312 -5.576 -2.765 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.310 -4.293 -0.812 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.235 -3.399 -2.002 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.989 -2.112 -2.389 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.550 -2.770 -0.825 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.659 0.417 0.481 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.252 0.205 -1.238 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.862 -1.077 -0.067 1.00 0.84 H new ATOM 20 N GLN A 2 11.051 -5.957 -1.627 1.00 0.59 N ATOM 21 CA GLN A 2 9.755 -6.520 -1.408 1.00 0.56 C ATOM 22 C GLN A 2 9.021 -5.921 -0.257 1.00 0.50 C ATOM 23 O GLN A 2 9.689 -5.605 0.727 1.00 0.60 O ATOM 24 CB GLN A 2 9.918 -8.028 -1.152 1.00 0.71 C ATOM 25 CG GLN A 2 8.601 -8.807 -1.139 1.00 1.15 C ATOM 26 CD GLN A 2 8.819 -10.312 -1.211 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.865 -11.037 -0.219 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.252 -10.850 -2.382 1.00 1.72 N ATOM 0 H GLN A 2 11.763 -6.302 -0.983 1.00 0.59 H new ATOM 0 HA GLN A 2 9.165 -6.310 -2.300 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.568 -8.448 -1.920 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.421 -8.171 -0.196 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.047 -8.565 -0.232 1.00 1.15 H new ATOM 0 HG3 GLN A 2 7.986 -8.491 -1.981 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.236 -10.293 -3.236 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.593 -11.811 -2.406 1.00 1.72 H new ATOM 37 N ILE A 3 7.730 -5.569 -0.392 1.00 0.44 N ATOM 38 CA ILE A 3 6.937 -5.102 0.701 1.00 0.42 C ATOM 39 C ILE A 3 5.690 -5.914 0.625 1.00 0.40 C ATOM 40 O ILE A 3 5.386 -6.519 -0.401 1.00 0.50 O ATOM 41 CB ILE A 3 6.745 -3.615 0.687 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.016 -3.084 -0.559 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.069 -2.935 1.074 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.790 -1.573 -0.523 1.00 0.72 C ATOM 0 H ILE A 3 7.227 -5.610 -1.279 1.00 0.44 H new ATOM 0 HA ILE A 3 7.418 -5.243 1.669 1.00 0.42 H new ATOM 0 HB ILE A 3 6.025 -3.329 1.454 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.595 -3.338 -1.447 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.054 -3.587 -0.652 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.938 -1.853 1.066 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.366 -3.258 2.072 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.843 -3.212 0.358 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.272 -1.261 -1.430 1.00 0.72 H new ATOM 0 HD12 ILE A 3 5.186 -1.316 0.347 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.751 -1.063 -0.461 1.00 0.72 H new ATOM 56 N PHE A 4 4.929 -6.008 1.730 1.00 0.37 N ATOM 57 CA PHE A 4 3.763 -6.804 1.956 1.00 0.38 C ATOM 58 C PHE A 4 2.600 -5.928 2.274 1.00 0.39 C ATOM 59 O PHE A 4 2.585 -5.244 3.296 1.00 0.60 O ATOM 60 CB PHE A 4 3.871 -7.872 3.057 1.00 0.45 C ATOM 61 CG PHE A 4 5.102 -8.686 2.851 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.200 -9.634 1.860 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.142 -8.474 3.725 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.381 -10.305 1.650 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.309 -9.177 3.538 1.00 1.40 C ATOM 66 CZ PHE A 4 7.434 -10.071 2.501 1.00 0.85 C ATOM 0 H PHE A 4 5.161 -5.461 2.559 1.00 0.37 H new ATOM 0 HA PHE A 4 3.635 -7.349 1.021 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.899 -7.396 4.037 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.991 -8.515 3.040 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.342 -9.853 1.242 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.045 -7.772 4.540 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.479 -11.003 0.832 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.137 -9.025 4.214 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.368 -10.594 2.354 1.00 0.85 H new ATOM 76 N VAL A 5 1.512 -5.978 1.485 1.00 0.35 N ATOM 77 CA VAL A 5 0.269 -5.315 1.729 1.00 0.35 C ATOM 78 C VAL A 5 -0.764 -6.293 2.174 1.00 0.35 C ATOM 79 O VAL A 5 -1.112 -7.193 1.411 1.00 0.46 O ATOM 80 CB VAL A 5 -0.214 -4.587 0.510 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.594 -3.916 0.623 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.814 -3.509 0.128 1.00 0.56 C ATOM 0 H VAL A 5 1.501 -6.518 0.620 1.00 0.35 H new ATOM 0 HA VAL A 5 0.437 -4.583 2.519 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.325 -5.362 -0.248 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.836 -3.422 -0.318 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.349 -4.671 0.841 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.576 -3.179 1.426 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.470 -2.975 -0.758 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.928 -2.806 0.953 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.774 -3.980 -0.083 1.00 0.56 H new ATOM 92 N LYS A 6 -1.270 -6.195 3.416 1.00 0.36 N ATOM 93 CA LYS A 6 -2.268 -7.113 3.870 1.00 0.39 C ATOM 94 C LYS A 6 -3.547 -6.386 3.635 1.00 0.46 C ATOM 95 O LYS A 6 -3.732 -5.208 3.939 1.00 0.53 O ATOM 96 CB LYS A 6 -2.106 -7.555 5.334 1.00 0.54 C ATOM 97 CG LYS A 6 -0.881 -8.461 5.478 1.00 1.22 C ATOM 98 CD LYS A 6 -0.599 -8.954 6.899 1.00 1.37 C ATOM 99 CE LYS A 6 0.554 -9.943 7.089 1.00 1.93 C ATOM 100 NZ LYS A 6 0.284 -11.216 6.385 1.00 2.09 N ATOM 0 H LYS A 6 -0.993 -5.490 4.099 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.206 -8.060 3.334 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.999 -6.681 5.976 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.000 -8.084 5.663 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.011 -9.327 4.829 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.005 -7.921 5.117 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.401 -8.083 7.524 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.508 -9.420 7.280 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.479 -9.505 6.713 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.701 -10.135 8.152 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 1.127 -11.823 6.429 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.516 -11.701 6.839 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.051 -11.020 5.391 1.00 2.09 H new ATOM 114 N THR A 7 -4.559 -7.056 3.057 1.00 0.58 N ATOM 115 CA THR A 7 -5.893 -6.557 2.916 1.00 0.78 C ATOM 116 C THR A 7 -6.698 -6.711 4.160 1.00 0.94 C ATOM 117 O THR A 7 -6.273 -7.365 5.113 1.00 0.99 O ATOM 118 CB THR A 7 -6.646 -7.000 1.698 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.990 -8.373 1.804 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.730 -6.937 0.464 1.00 0.92 C ATOM 0 H THR A 7 -4.442 -7.992 2.669 1.00 0.58 H new ATOM 0 HA THR A 7 -5.735 -5.492 2.744 1.00 0.78 H new ATOM 0 HB THR A 7 -7.521 -6.355 1.611 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.483 -8.650 1.003 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.284 -7.260 -0.417 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.384 -5.914 0.320 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.872 -7.592 0.614 1.00 0.92 H new ATOM 128 N LEU A 8 -7.890 -6.090 4.205 1.00 1.17 N ATOM 129 CA LEU A 8 -8.966 -6.233 5.137 1.00 1.39 C ATOM 130 C LEU A 8 -9.502 -7.608 5.344 1.00 1.44 C ATOM 131 O LEU A 8 -9.654 -8.001 6.500 1.00 1.60 O ATOM 132 CB LEU A 8 -10.096 -5.321 4.631 1.00 1.66 C ATOM 133 CG LEU A 8 -9.876 -3.800 4.576 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.065 -3.009 4.005 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.450 -3.245 5.946 1.00 2.43 C ATOM 0 H LEU A 8 -8.125 -5.398 3.493 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.568 -5.966 6.116 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.355 -5.650 3.625 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.968 -5.502 5.260 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.060 -3.655 3.868 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.827 -1.945 4.002 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.266 -3.339 2.986 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.947 -3.181 4.622 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.303 -2.168 5.872 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.227 -3.456 6.681 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.518 -3.718 6.256 1.00 2.43 H new ATOM 147 N THR A 9 -9.810 -8.315 4.243 1.00 1.41 N ATOM 148 CA THR A 9 -10.480 -9.578 4.204 1.00 1.51 C ATOM 149 C THR A 9 -9.539 -10.614 4.714 1.00 1.37 C ATOM 150 O THR A 9 -9.597 -11.179 5.804 1.00 1.62 O ATOM 151 CB THR A 9 -11.024 -9.969 2.862 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.344 -9.377 1.764 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.456 -9.410 2.819 1.00 2.08 C ATOM 0 H THR A 9 -9.572 -7.978 3.310 1.00 1.41 H new ATOM 0 HA THR A 9 -11.365 -9.490 4.834 1.00 1.51 H new ATOM 0 HB THR A 9 -10.931 -11.051 2.764 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.752 -9.679 0.926 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.915 -9.660 1.863 1.00 2.08 H new ATOM 0 HG22 THR A 9 -13.042 -9.847 3.628 1.00 2.08 H new ATOM 0 HG23 THR A 9 -12.427 -8.327 2.936 1.00 2.08 H new ATOM 161 N GLY A 10 -8.429 -10.751 3.966 1.00 1.18 N ATOM 162 CA GLY A 10 -7.473 -11.722 4.398 1.00 1.22 C ATOM 163 C GLY A 10 -6.292 -11.940 3.516 1.00 0.99 C ATOM 164 O GLY A 10 -5.562 -12.884 3.808 1.00 1.31 O ATOM 0 H GLY A 10 -8.201 -10.230 3.119 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -7.112 -11.428 5.383 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -7.988 -12.675 4.519 1.00 1.22 H new ATOM 168 N LYS A 11 -5.918 -11.162 2.483 1.00 0.73 N ATOM 169 CA LYS A 11 -4.913 -11.542 1.541 1.00 0.60 C ATOM 170 C LYS A 11 -3.664 -10.825 1.927 1.00 0.51 C ATOM 171 O LYS A 11 -3.635 -9.740 2.505 1.00 0.63 O ATOM 172 CB LYS A 11 -5.212 -11.158 0.082 1.00 0.75 C ATOM 173 CG LYS A 11 -6.248 -12.143 -0.464 1.00 0.87 C ATOM 174 CD LYS A 11 -6.491 -11.749 -1.923 1.00 1.04 C ATOM 175 CE LYS A 11 -7.422 -12.780 -2.563 1.00 1.30 C ATOM 176 NZ LYS A 11 -7.405 -12.603 -4.032 1.00 1.40 N ATOM 0 H LYS A 11 -6.326 -10.245 2.299 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.847 -12.630 1.574 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -5.591 -10.137 0.027 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.301 -11.193 -0.516 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.884 -13.168 -0.394 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -7.173 -12.093 0.111 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.935 -10.755 -1.977 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.546 -11.706 -2.465 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -7.102 -13.789 -2.302 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -8.436 -12.659 -2.182 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -7.927 -13.382 -4.482 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -7.855 -11.698 -4.278 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.422 -12.604 -4.370 1.00 1.40 H new ATOM 190 N THR A 12 -2.522 -11.421 1.539 1.00 0.49 N ATOM 191 CA THR A 12 -1.258 -10.753 1.581 1.00 0.48 C ATOM 192 C THR A 12 -0.772 -10.550 0.187 1.00 0.52 C ATOM 193 O THR A 12 -0.414 -11.509 -0.496 1.00 0.72 O ATOM 194 CB THR A 12 -0.204 -11.489 2.352 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.662 -11.599 3.691 1.00 0.77 O ATOM 196 CG2 THR A 12 1.160 -10.780 2.352 1.00 0.78 C ATOM 0 H THR A 12 -2.475 -12.379 1.192 1.00 0.49 H new ATOM 0 HA THR A 12 -1.425 -9.809 2.099 1.00 0.48 H new ATOM 0 HB THR A 12 -0.051 -12.458 1.877 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.305 -12.418 4.093 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.875 -11.367 2.928 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.517 -10.677 1.327 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.057 -9.792 2.801 1.00 0.78 H new ATOM 204 N ILE A 13 -0.800 -9.276 -0.243 1.00 0.48 N ATOM 205 CA ILE A 13 -0.303 -9.019 -1.559 1.00 0.55 C ATOM 206 C ILE A 13 1.159 -8.776 -1.401 1.00 0.51 C ATOM 207 O ILE A 13 1.644 -8.019 -0.561 1.00 0.56 O ATOM 208 CB ILE A 13 -0.858 -7.819 -2.268 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.395 -7.845 -2.242 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.410 -7.922 -3.736 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.090 -6.585 -2.758 1.00 1.55 C ATOM 0 H ILE A 13 -1.143 -8.470 0.280 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.592 -9.877 -2.166 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.508 -6.905 -1.787 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.735 -8.694 -2.835 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.719 -8.022 -1.217 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.792 -7.067 -4.294 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.679 -7.930 -3.784 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.799 -8.842 -4.171 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.171 -6.713 -2.694 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.790 -5.730 -2.152 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.806 -6.412 -3.796 1.00 1.55 H new ATOM 223 N THR A 14 1.954 -9.565 -2.145 1.00 0.55 N ATOM 224 CA THR A 14 3.380 -9.466 -2.135 1.00 0.54 C ATOM 225 C THR A 14 3.701 -8.511 -3.233 1.00 0.55 C ATOM 226 O THR A 14 3.271 -8.729 -4.365 1.00 0.72 O ATOM 227 CB THR A 14 4.166 -10.734 -2.296 1.00 0.67 C ATOM 228 OG1 THR A 14 3.900 -11.627 -1.226 1.00 1.08 O ATOM 229 CG2 THR A 14 5.681 -10.470 -2.285 1.00 1.03 C ATOM 0 H THR A 14 1.597 -10.289 -2.768 1.00 0.55 H new ATOM 0 HA THR A 14 3.683 -9.146 -1.138 1.00 0.54 H new ATOM 0 HB THR A 14 3.864 -11.161 -3.253 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.420 -12.449 -1.349 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.215 -11.413 -2.404 1.00 1.03 H new ATOM 0 HG22 THR A 14 5.940 -9.800 -3.105 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.963 -10.010 -1.338 1.00 1.03 H new ATOM 237 N LEU A 15 4.538 -7.497 -2.951 1.00 0.50 N ATOM 238 CA LEU A 15 4.921 -6.526 -3.927 1.00 0.55 C ATOM 239 C LEU A 15 6.387 -6.515 -4.192 1.00 0.52 C ATOM 240 O LEU A 15 7.164 -6.883 -3.313 1.00 0.58 O ATOM 241 CB LEU A 15 4.555 -5.094 -3.502 1.00 0.69 C ATOM 242 CG LEU A 15 3.073 -4.681 -3.533 1.00 0.76 C ATOM 243 CD1 LEU A 15 3.048 -3.152 -3.699 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.293 -5.406 -4.642 1.00 1.55 C ATOM 0 H LEU A 15 4.955 -7.349 -2.032 1.00 0.50 H new ATOM 0 HA LEU A 15 4.374 -6.823 -4.822 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.921 -4.945 -2.486 1.00 0.69 H new ATOM 0 HB3 LEU A 15 5.106 -4.406 -4.143 1.00 0.69 H new ATOM 0 HG LEU A 15 2.571 -4.971 -2.610 1.00 0.76 H new ATOM 0 HD11 LEU A 15 2.015 -2.806 -3.727 1.00 1.38 H new ATOM 0 HD12 LEU A 15 3.564 -2.686 -2.859 1.00 1.38 H new ATOM 0 HD13 LEU A 15 3.547 -2.879 -4.629 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.252 -5.083 -4.626 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.732 -5.167 -5.611 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.341 -6.482 -4.477 1.00 1.55 H new ATOM 256 N GLU A 16 6.775 -6.046 -5.391 1.00 0.59 N ATOM 257 CA GLU A 16 8.128 -5.727 -5.724 1.00 0.63 C ATOM 258 C GLU A 16 8.030 -4.248 -5.882 1.00 0.65 C ATOM 259 O GLU A 16 7.184 -3.791 -6.648 1.00 0.81 O ATOM 260 CB GLU A 16 8.494 -6.433 -7.041 1.00 0.76 C ATOM 261 CG GLU A 16 9.903 -6.072 -7.514 1.00 1.41 C ATOM 262 CD GLU A 16 10.904 -6.479 -6.443 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.753 -7.623 -5.936 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.831 -5.685 -6.127 1.00 1.92 O ATOM 0 H GLU A 16 6.122 -5.883 -6.157 1.00 0.59 H new ATOM 0 HA GLU A 16 8.890 -6.032 -5.007 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.423 -7.512 -6.905 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.772 -6.160 -7.811 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.127 -6.580 -8.452 1.00 1.41 H new ATOM 0 HG3 GLU A 16 9.973 -5.002 -7.707 1.00 1.41 H new ATOM 271 N VAL A 17 8.903 -3.439 -5.255 1.00 0.61 N ATOM 272 CA VAL A 17 8.891 -2.010 -5.263 1.00 0.63 C ATOM 273 C VAL A 17 10.308 -1.550 -5.275 1.00 0.65 C ATOM 274 O VAL A 17 11.213 -2.273 -4.861 1.00 0.76 O ATOM 275 CB VAL A 17 8.235 -1.287 -4.123 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.784 -1.796 -4.103 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.864 -1.533 -2.741 1.00 0.92 C ATOM 0 H VAL A 17 9.674 -3.814 -4.702 1.00 0.61 H new ATOM 0 HA VAL A 17 8.287 -1.768 -6.138 1.00 0.63 H new ATOM 0 HB VAL A 17 8.342 -0.215 -4.290 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.239 -1.311 -3.293 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.304 -1.564 -5.053 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.779 -2.875 -3.948 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.318 -0.966 -1.987 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.815 -2.596 -2.503 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.905 -1.212 -2.753 1.00 0.92 H new ATOM 287 N GLU A 18 10.520 -0.317 -5.769 1.00 0.68 N ATOM 288 CA GLU A 18 11.733 0.435 -5.669 1.00 0.74 C ATOM 289 C GLU A 18 11.516 1.644 -4.826 1.00 0.71 C ATOM 290 O GLU A 18 10.359 2.008 -4.626 1.00 0.74 O ATOM 291 CB GLU A 18 12.292 0.834 -7.046 1.00 0.88 C ATOM 292 CG GLU A 18 12.849 -0.341 -7.853 1.00 1.16 C ATOM 293 CD GLU A 18 14.131 -0.865 -7.222 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.196 -0.199 -7.322 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.057 -2.027 -6.740 1.00 2.35 O ATOM 0 H GLU A 18 9.792 0.189 -6.274 1.00 0.68 H new ATOM 0 HA GLU A 18 12.477 -0.208 -5.198 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.502 1.316 -7.622 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.081 1.573 -6.907 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.108 -1.139 -7.901 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.044 -0.025 -8.878 1.00 1.16 H new ATOM 302 N PRO A 19 12.433 2.273 -4.152 1.00 0.74 N ATOM 303 CA PRO A 19 12.098 3.226 -3.135 1.00 0.74 C ATOM 304 C PRO A 19 11.580 4.548 -3.585 1.00 0.70 C ATOM 305 O PRO A 19 10.887 5.229 -2.830 1.00 0.74 O ATOM 306 CB PRO A 19 13.385 3.380 -2.327 1.00 0.86 C ATOM 307 CG PRO A 19 14.015 1.980 -2.395 1.00 0.95 C ATOM 308 CD PRO A 19 13.688 1.603 -3.849 1.00 0.82 C ATOM 0 HA PRO A 19 11.246 2.848 -2.570 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.041 4.138 -2.756 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.181 3.680 -1.299 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.088 1.997 -2.201 1.00 0.95 H new ATOM 0 HG3 PRO A 19 13.572 1.290 -1.677 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.479 1.927 -4.526 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.594 0.523 -3.963 1.00 0.82 H new ATOM 316 N SER A 20 11.928 4.985 -4.808 1.00 0.70 N ATOM 317 CA SER A 20 11.427 6.226 -5.311 1.00 0.74 C ATOM 318 C SER A 20 10.159 6.090 -6.085 1.00 0.71 C ATOM 319 O SER A 20 9.597 7.050 -6.609 1.00 0.80 O ATOM 320 CB SER A 20 12.450 7.021 -6.140 1.00 0.89 C ATOM 321 OG SER A 20 13.760 6.907 -5.604 1.00 1.45 O ATOM 0 H SER A 20 12.550 4.485 -5.443 1.00 0.70 H new ATOM 0 HA SER A 20 11.215 6.794 -4.405 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.445 6.660 -7.169 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.158 8.071 -6.169 1.00 0.89 H new ATOM 0 HG SER A 20 14.385 7.422 -6.155 1.00 1.45 H new ATOM 327 N ASP A 21 9.650 4.845 -6.098 1.00 0.70 N ATOM 328 CA ASP A 21 8.299 4.749 -6.555 1.00 0.73 C ATOM 329 C ASP A 21 7.338 5.444 -5.654 1.00 0.64 C ATOM 330 O ASP A 21 7.623 5.544 -4.461 1.00 0.66 O ATOM 331 CB ASP A 21 7.923 3.262 -6.668 1.00 0.87 C ATOM 332 CG ASP A 21 8.567 2.621 -7.888 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.321 3.059 -9.043 1.00 1.69 O ATOM 334 OD2 ASP A 21 9.235 1.578 -7.655 1.00 1.50 O ATOM 0 H ASP A 21 10.118 3.982 -5.822 1.00 0.70 H new ATOM 0 HA ASP A 21 8.236 5.242 -7.525 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.240 2.735 -5.768 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.839 3.162 -6.731 1.00 0.87 H new ATOM 339 N THR A 22 6.232 5.972 -6.208 1.00 0.63 N ATOM 340 CA THR A 22 5.309 6.585 -5.305 1.00 0.58 C ATOM 341 C THR A 22 4.331 5.616 -4.735 1.00 0.53 C ATOM 342 O THR A 22 4.241 4.494 -5.232 1.00 0.58 O ATOM 343 CB THR A 22 4.637 7.859 -5.726 1.00 0.63 C ATOM 344 OG1 THR A 22 3.632 7.749 -6.722 1.00 0.70 O ATOM 345 CG2 THR A 22 5.748 8.759 -6.290 1.00 0.75 C ATOM 0 H THR A 22 5.987 5.979 -7.198 1.00 0.63 H new ATOM 0 HA THR A 22 5.987 6.925 -4.522 1.00 0.58 H new ATOM 0 HB THR A 22 4.120 8.240 -4.845 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.758 6.917 -7.224 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.319 9.707 -6.615 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.494 8.945 -5.517 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.221 8.265 -7.139 1.00 0.75 H new ATOM 353 N ILE A 23 3.558 6.031 -3.716 1.00 0.51 N ATOM 354 CA ILE A 23 2.463 5.264 -3.207 1.00 0.48 C ATOM 355 C ILE A 23 1.404 5.009 -4.223 1.00 0.48 C ATOM 356 O ILE A 23 0.889 3.896 -4.317 1.00 0.51 O ATOM 357 CB ILE A 23 1.853 5.903 -1.994 1.00 0.52 C ATOM 358 CG1 ILE A 23 2.747 5.508 -0.807 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.396 5.598 -1.607 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.897 6.465 -0.498 1.00 0.73 C ATOM 0 H ILE A 23 3.697 6.919 -3.235 1.00 0.51 H new ATOM 0 HA ILE A 23 2.891 4.301 -2.928 1.00 0.48 H new ATOM 0 HB ILE A 23 1.804 6.961 -2.252 1.00 0.52 H new ATOM 0 HG12 ILE A 23 2.122 5.421 0.082 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.163 4.520 -1.002 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.136 6.151 -0.705 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.266 5.897 -2.420 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.285 4.530 -1.422 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.462 6.091 0.356 1.00 0.73 H new ATOM 0 HD12 ILE A 23 4.554 6.536 -1.365 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.497 7.451 -0.264 1.00 0.73 H new ATOM 372 N GLU A 24 1.063 5.934 -5.138 1.00 0.50 N ATOM 373 CA GLU A 24 0.181 5.730 -6.245 1.00 0.53 C ATOM 374 C GLU A 24 0.669 4.618 -7.108 1.00 0.50 C ATOM 375 O GLU A 24 -0.101 3.762 -7.541 1.00 0.55 O ATOM 376 CB GLU A 24 0.166 6.993 -7.123 1.00 0.64 C ATOM 377 CG GLU A 24 -0.825 6.868 -8.282 1.00 0.95 C ATOM 378 CD GLU A 24 -0.557 8.124 -9.100 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.583 8.631 -9.277 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.615 8.502 -9.670 1.00 1.56 O ATOM 0 H GLU A 24 1.428 6.886 -5.101 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.808 5.500 -5.847 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.096 7.857 -6.512 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.166 7.173 -7.518 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.653 5.963 -8.864 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.856 6.829 -7.929 1.00 0.95 H new ATOM 387 N ASN A 25 1.971 4.399 -7.365 1.00 0.51 N ATOM 388 CA ASN A 25 2.494 3.360 -8.196 1.00 0.52 C ATOM 389 C ASN A 25 2.442 2.037 -7.512 1.00 0.47 C ATOM 390 O ASN A 25 2.419 0.993 -8.163 1.00 0.53 O ATOM 391 CB ASN A 25 3.959 3.702 -8.514 1.00 0.64 C ATOM 392 CG ASN A 25 4.024 5.117 -9.072 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.507 6.098 -8.510 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.506 5.281 -10.320 1.00 1.57 N ATOM 0 H ASN A 25 2.704 4.986 -6.967 1.00 0.51 H new ATOM 0 HA ASN A 25 1.893 3.293 -9.103 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.569 3.623 -7.614 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.364 2.993 -9.236 1.00 0.64 H new ATOM 0 HD21 ASN A 25 3.525 6.199 -10.764 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.098 4.486 -10.812 1.00 1.57 H new ATOM 401 N VAL A 26 2.510 2.099 -6.170 1.00 0.45 N ATOM 402 CA VAL A 26 2.323 0.992 -5.285 1.00 0.44 C ATOM 403 C VAL A 26 0.904 0.540 -5.230 1.00 0.40 C ATOM 404 O VAL A 26 0.679 -0.669 -5.207 1.00 0.44 O ATOM 405 CB VAL A 26 2.989 1.287 -3.973 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.609 0.378 -2.791 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.513 1.192 -4.155 1.00 0.62 C ATOM 0 H VAL A 26 2.706 2.970 -5.676 1.00 0.45 H new ATOM 0 HA VAL A 26 2.824 0.105 -5.673 1.00 0.44 H new ATOM 0 HB VAL A 26 2.636 2.284 -3.709 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.155 0.691 -1.901 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.538 0.453 -2.604 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.865 -0.654 -3.029 1.00 0.60 H new ATOM 0 HG21 VAL A 26 5.007 1.405 -3.207 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.778 0.187 -4.485 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.836 1.916 -4.903 1.00 0.62 H new ATOM 417 N LYS A 27 -0.074 1.463 -5.235 1.00 0.40 N ATOM 418 CA LYS A 27 -1.437 1.055 -5.378 1.00 0.41 C ATOM 419 C LYS A 27 -1.691 0.413 -6.698 1.00 0.38 C ATOM 420 O LYS A 27 -2.473 -0.533 -6.762 1.00 0.42 O ATOM 421 CB LYS A 27 -2.398 2.236 -5.162 1.00 0.51 C ATOM 422 CG LYS A 27 -2.474 2.655 -3.692 1.00 0.76 C ATOM 423 CD LYS A 27 -3.356 3.842 -3.299 1.00 0.82 C ATOM 424 CE LYS A 27 -2.994 5.224 -3.847 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.140 6.087 -3.481 1.00 1.11 N ATOM 0 H LYS A 27 0.072 2.468 -5.142 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.626 0.310 -4.605 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.071 3.084 -5.764 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.393 1.962 -5.512 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.814 1.791 -3.122 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.459 2.876 -3.361 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.376 3.617 -3.611 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.362 3.906 -2.211 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.066 5.592 -3.410 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.849 5.196 -4.927 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.969 7.054 -3.822 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -5.008 5.715 -3.917 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.249 6.099 -2.447 1.00 1.11 H new ATOM 439 N ALA A 28 -1.133 0.885 -7.828 1.00 0.39 N ATOM 440 CA ALA A 28 -1.161 0.284 -9.125 1.00 0.39 C ATOM 441 C ALA A 28 -0.636 -1.097 -9.317 1.00 0.36 C ATOM 442 O ALA A 28 -1.157 -1.935 -10.053 1.00 0.42 O ATOM 443 CB ALA A 28 -0.328 1.190 -10.047 1.00 0.51 C ATOM 0 H ALA A 28 -0.617 1.765 -7.831 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.227 0.188 -9.333 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.318 0.773 -11.054 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.768 2.187 -10.071 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.693 1.253 -9.670 1.00 0.51 H new ATOM 449 N LYS A 29 0.413 -1.429 -8.545 1.00 0.39 N ATOM 450 CA LYS A 29 0.912 -2.752 -8.331 1.00 0.43 C ATOM 451 C LYS A 29 -0.072 -3.640 -7.651 1.00 0.44 C ATOM 452 O LYS A 29 0.026 -4.836 -7.919 1.00 0.54 O ATOM 453 CB LYS A 29 2.304 -2.842 -7.683 1.00 0.54 C ATOM 454 CG LYS A 29 3.332 -2.216 -8.627 1.00 0.65 C ATOM 455 CD LYS A 29 4.750 -2.208 -8.053 1.00 1.08 C ATOM 456 CE LYS A 29 5.808 -1.303 -8.686 1.00 1.24 C ATOM 457 NZ LYS A 29 5.784 -1.403 -10.163 1.00 1.44 N ATOM 0 H LYS A 29 0.948 -0.725 -8.036 1.00 0.39 H new ATOM 0 HA LYS A 29 1.057 -3.128 -9.344 1.00 0.43 H new ATOM 0 HB2 LYS A 29 2.308 -2.323 -6.724 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.560 -3.882 -7.483 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.331 -2.764 -9.569 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.033 -1.193 -8.853 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.676 -1.938 -7.000 1.00 1.08 H new ATOM 0 HD3 LYS A 29 5.126 -3.230 -8.094 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.633 -0.270 -8.386 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.795 -1.580 -8.316 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.556 -0.831 -10.562 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.907 -2.396 -10.446 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.873 -1.052 -10.520 1.00 1.44 H new ATOM 471 N ILE A 30 -0.925 -3.205 -6.707 1.00 0.41 N ATOM 472 CA ILE A 30 -2.008 -3.948 -6.142 1.00 0.44 C ATOM 473 C ILE A 30 -3.132 -4.058 -7.114 1.00 0.45 C ATOM 474 O ILE A 30 -3.716 -5.141 -7.110 1.00 0.56 O ATOM 475 CB ILE A 30 -2.423 -3.232 -4.891 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.398 -3.366 -3.753 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.813 -3.612 -4.351 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.411 -2.117 -2.873 1.00 1.32 C ATOM 0 H ILE A 30 -0.852 -2.268 -6.311 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.706 -4.968 -5.906 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.474 -2.194 -5.220 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.627 -4.245 -3.151 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.401 -3.515 -4.169 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.020 -3.041 -3.446 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.569 -3.387 -5.103 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.835 -4.677 -4.121 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.680 -2.228 -2.072 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.159 -1.245 -3.476 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.404 -1.986 -2.442 1.00 1.32 H new ATOM 490 N GLN A 31 -3.459 -2.997 -7.872 1.00 0.41 N ATOM 491 CA GLN A 31 -4.445 -2.906 -8.905 1.00 0.48 C ATOM 492 C GLN A 31 -4.405 -3.938 -9.981 1.00 0.52 C ATOM 493 O GLN A 31 -5.371 -4.621 -10.315 1.00 0.66 O ATOM 494 CB GLN A 31 -4.498 -1.510 -9.546 1.00 0.52 C ATOM 495 CG GLN A 31 -5.755 -1.395 -10.410 1.00 0.70 C ATOM 496 CD GLN A 31 -5.708 -0.253 -11.415 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.726 -0.028 -12.120 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.868 0.416 -11.656 1.00 1.43 N ATOM 0 H GLN A 31 -2.978 -2.106 -7.745 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.358 -3.111 -8.347 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.504 -0.742 -8.772 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.609 -1.343 -10.154 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.903 -2.332 -10.946 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.620 -1.259 -9.760 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.689 0.238 -11.078 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.916 1.096 -12.415 1.00 1.43 H new ATOM 507 N ASP A 32 -3.205 -4.221 -10.517 1.00 0.50 N ATOM 508 CA ASP A 32 -2.878 -5.226 -11.480 1.00 0.60 C ATOM 509 C ASP A 32 -3.150 -6.635 -11.081 1.00 0.65 C ATOM 510 O ASP A 32 -3.476 -7.503 -11.890 1.00 0.81 O ATOM 511 CB ASP A 32 -1.372 -5.018 -11.713 1.00 0.67 C ATOM 512 CG ASP A 32 -0.762 -5.643 -12.960 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.370 -6.495 -13.660 1.00 1.51 O ATOM 514 OD2 ASP A 32 0.372 -5.207 -13.298 1.00 1.55 O ATOM 0 H ASP A 32 -2.379 -3.688 -10.245 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.510 -5.106 -12.360 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.182 -3.945 -11.747 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.840 -5.409 -10.846 1.00 0.67 H new ATOM 519 N LYS A 33 -3.083 -6.882 -9.760 1.00 0.62 N ATOM 520 CA LYS A 33 -3.166 -8.169 -9.142 1.00 0.73 C ATOM 521 C LYS A 33 -4.600 -8.322 -8.767 1.00 0.69 C ATOM 522 O LYS A 33 -5.279 -9.252 -9.201 1.00 0.83 O ATOM 523 CB LYS A 33 -2.241 -8.142 -7.915 1.00 0.85 C ATOM 524 CG LYS A 33 -0.774 -7.972 -8.315 1.00 1.31 C ATOM 525 CD LYS A 33 0.236 -7.937 -7.167 1.00 1.71 C ATOM 526 CE LYS A 33 1.718 -7.781 -7.509 1.00 2.26 C ATOM 527 NZ LYS A 33 2.105 -8.656 -8.640 1.00 2.62 N ATOM 0 H LYS A 33 -2.963 -6.132 -9.079 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.857 -9.002 -9.774 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.535 -7.326 -7.256 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.359 -9.067 -7.350 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.504 -8.788 -8.985 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.678 -7.048 -8.885 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.041 -7.116 -6.506 1.00 1.71 H new ATOM 0 HD3 LYS A 33 0.122 -8.858 -6.596 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.927 -6.742 -7.762 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.323 -8.024 -6.635 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 3.129 -8.578 -8.804 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.864 -9.642 -8.414 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.594 -8.362 -9.497 1.00 2.62 H new ATOM 541 N GLU A 34 -5.156 -7.464 -7.892 1.00 0.63 N ATOM 542 CA GLU A 34 -6.451 -7.670 -7.324 1.00 0.67 C ATOM 543 C GLU A 34 -7.527 -6.894 -8.002 1.00 0.69 C ATOM 544 O GLU A 34 -8.711 -7.086 -7.726 1.00 0.95 O ATOM 545 CB GLU A 34 -6.468 -7.373 -5.815 1.00 0.73 C ATOM 546 CG GLU A 34 -5.744 -8.454 -5.011 1.00 0.83 C ATOM 547 CD GLU A 34 -6.441 -9.798 -5.153 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.535 -9.954 -4.548 1.00 1.37 O ATOM 549 OE2 GLU A 34 -5.835 -10.710 -5.776 1.00 1.48 O ATOM 0 H GLU A 34 -4.696 -6.611 -7.573 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.664 -8.727 -7.482 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.998 -6.407 -5.630 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.500 -7.296 -5.472 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.713 -8.537 -5.353 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.709 -8.168 -3.960 1.00 0.83 H new ATOM 556 N GLY A 35 -7.229 -5.968 -8.930 1.00 0.63 N ATOM 557 CA GLY A 35 -8.246 -5.291 -9.673 1.00 0.68 C ATOM 558 C GLY A 35 -8.853 -4.148 -8.937 1.00 0.76 C ATOM 559 O GLY A 35 -9.900 -3.666 -9.368 1.00 1.12 O ATOM 0 H GLY A 35 -6.278 -5.687 -9.167 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.821 -4.927 -10.608 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.029 -6.002 -9.934 1.00 0.68 H new ATOM 563 N ILE A 36 -8.379 -3.749 -7.743 1.00 0.70 N ATOM 564 CA ILE A 36 -9.056 -2.717 -7.023 1.00 0.76 C ATOM 565 C ILE A 36 -8.567 -1.362 -7.409 1.00 0.71 C ATOM 566 O ILE A 36 -7.347 -1.231 -7.499 1.00 0.73 O ATOM 567 CB ILE A 36 -8.879 -2.920 -5.548 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.142 -4.332 -4.996 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.672 -1.863 -4.761 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.575 -4.443 -3.581 1.00 1.16 C ATOM 0 H ILE A 36 -7.550 -4.129 -7.286 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.114 -2.776 -7.277 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.807 -2.793 -5.397 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.213 -4.536 -4.987 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.681 -5.078 -5.643 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.533 -2.025 -3.692 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.315 -0.868 -5.027 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.731 -1.946 -5.005 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.762 -5.444 -3.192 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.501 -4.257 -3.604 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.057 -3.707 -2.937 1.00 1.16 H new ATOM 582 N PRO A 37 -9.252 -0.304 -7.728 1.00 0.75 N ATOM 583 CA PRO A 37 -8.692 0.951 -8.140 1.00 0.79 C ATOM 584 C PRO A 37 -7.871 1.713 -7.159 1.00 0.75 C ATOM 585 O PRO A 37 -8.203 1.574 -5.982 1.00 0.75 O ATOM 586 CB PRO A 37 -9.911 1.809 -8.472 1.00 0.95 C ATOM 587 CG PRO A 37 -10.994 0.797 -8.876 1.00 1.02 C ATOM 588 CD PRO A 37 -10.699 -0.327 -7.870 1.00 0.85 C ATOM 0 HA PRO A 37 -7.989 0.732 -8.944 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.224 2.404 -7.614 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.697 2.506 -9.282 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.001 1.199 -8.768 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.892 0.468 -9.910 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.196 -0.149 -6.916 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.048 -1.292 -8.237 1.00 0.85 H new ATOM 596 N PRO A 38 -6.854 2.445 -7.505 1.00 0.81 N ATOM 597 CA PRO A 38 -6.032 3.139 -6.557 1.00 0.85 C ATOM 598 C PRO A 38 -6.729 4.262 -5.869 1.00 0.89 C ATOM 599 O PRO A 38 -6.378 4.728 -4.785 1.00 0.99 O ATOM 600 CB PRO A 38 -4.817 3.653 -7.326 1.00 1.01 C ATOM 601 CG PRO A 38 -4.651 2.502 -8.330 1.00 1.25 C ATOM 602 CD PRO A 38 -6.087 2.092 -8.690 1.00 0.98 C ATOM 0 HA PRO A 38 -5.753 2.451 -5.759 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.003 4.610 -7.813 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.942 3.784 -6.689 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.097 2.822 -9.212 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.099 1.670 -7.892 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.446 2.623 -9.572 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.156 1.026 -8.909 1.00 0.98 H new ATOM 610 N ASP A 39 -7.919 4.670 -6.348 1.00 0.96 N ATOM 611 CA ASP A 39 -8.801 5.596 -5.708 1.00 1.11 C ATOM 612 C ASP A 39 -9.551 4.934 -4.604 1.00 1.00 C ATOM 613 O ASP A 39 -9.846 5.619 -3.625 1.00 1.14 O ATOM 614 CB ASP A 39 -9.782 6.057 -6.800 1.00 1.39 C ATOM 615 CG ASP A 39 -10.908 7.008 -6.424 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.550 8.207 -6.272 1.00 2.23 O ATOM 617 OD2 ASP A 39 -12.119 6.664 -6.383 1.00 2.25 O ATOM 0 H ASP A 39 -8.287 4.331 -7.237 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.250 6.429 -5.271 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.198 6.533 -7.588 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.235 5.165 -7.234 1.00 1.39 H new ATOM 622 N GLN A 40 -9.766 3.606 -4.605 1.00 0.87 N ATOM 623 CA GLN A 40 -10.433 3.070 -3.459 1.00 0.84 C ATOM 624 C GLN A 40 -9.423 2.846 -2.386 1.00 0.67 C ATOM 625 O GLN A 40 -9.722 3.097 -1.219 1.00 0.80 O ATOM 626 CB GLN A 40 -11.182 1.779 -3.833 1.00 0.95 C ATOM 627 CG GLN A 40 -12.387 1.974 -4.753 1.00 1.32 C ATOM 628 CD GLN A 40 -13.166 0.683 -4.958 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.279 0.155 -6.063 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.931 0.276 -3.910 1.00 2.02 N ATOM 0 H GLN A 40 -9.503 2.946 -5.337 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.182 3.770 -3.089 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.482 1.098 -4.316 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.518 1.294 -2.917 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.047 2.732 -4.330 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.048 2.350 -5.719 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.827 0.723 -2.999 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.609 -0.476 -4.035 1.00 2.02 H new ATOM 639 N GLN A 41 -8.223 2.363 -2.754 1.00 0.56 N ATOM 640 CA GLN A 41 -7.175 1.931 -1.884 1.00 0.51 C ATOM 641 C GLN A 41 -6.617 3.021 -1.035 1.00 0.49 C ATOM 642 O GLN A 41 -6.160 4.037 -1.556 1.00 0.65 O ATOM 643 CB GLN A 41 -6.048 1.288 -2.711 1.00 0.67 C ATOM 644 CG GLN A 41 -6.411 0.066 -3.558 1.00 0.69 C ATOM 645 CD GLN A 41 -5.146 -0.291 -4.324 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.069 -0.502 -3.767 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.424 -0.467 -5.643 1.00 0.61 N ATOM 0 H GLN A 41 -7.968 2.268 -3.737 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.616 1.203 -1.203 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.640 2.050 -3.375 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.250 1.000 -2.027 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.736 -0.763 -2.930 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.232 0.291 -4.239 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.357 -0.260 -6.000 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.700 -0.806 -6.276 1.00 0.61 H new ATOM 656 N ARG A 42 -6.552 2.910 0.304 1.00 0.47 N ATOM 657 CA ARG A 42 -5.888 3.775 1.230 1.00 0.55 C ATOM 658 C ARG A 42 -4.847 2.982 1.943 1.00 0.46 C ATOM 659 O ARG A 42 -5.137 1.938 2.527 1.00 0.52 O ATOM 660 CB ARG A 42 -6.903 4.255 2.280 1.00 0.73 C ATOM 661 CG ARG A 42 -7.906 5.269 1.725 1.00 1.04 C ATOM 662 CD ARG A 42 -8.751 5.951 2.803 1.00 1.28 C ATOM 663 NE ARG A 42 -9.668 6.848 2.045 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.757 7.430 2.626 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.370 6.903 3.726 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.224 8.629 2.167 1.00 2.78 N ATOM 0 H ARG A 42 -7.011 2.136 0.784 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.450 4.622 0.702 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.445 3.395 2.673 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.367 4.703 3.117 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.366 6.031 1.163 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.568 4.764 1.022 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.307 5.222 3.393 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.129 6.515 3.498 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.476 7.033 1.061 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -11.016 6.043 4.144 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.182 7.370 4.130 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.758 9.093 1.387 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.038 9.060 2.604 1.00 2.78 H new ATOM 680 N LEU A 43 -3.553 3.331 1.829 1.00 0.46 N ATOM 681 CA LEU A 43 -2.518 2.531 2.407 1.00 0.42 C ATOM 682 C LEU A 43 -2.063 3.062 3.723 1.00 0.43 C ATOM 683 O LEU A 43 -1.837 4.261 3.872 1.00 0.55 O ATOM 684 CB LEU A 43 -1.230 2.454 1.569 1.00 0.55 C ATOM 685 CG LEU A 43 -1.403 1.556 0.332 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.253 1.535 -0.688 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.758 0.139 0.811 1.00 1.12 C ATOM 0 H LEU A 43 -3.224 4.163 1.339 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.992 1.552 2.481 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.942 3.457 1.252 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.418 2.069 2.186 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.209 2.006 -0.247 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.506 0.863 -1.508 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.095 2.540 -1.079 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.658 1.187 -0.202 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.885 -0.515 -0.051 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.955 -0.244 1.441 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.685 0.170 1.383 1.00 1.12 H new ATOM 699 N ILE A 44 -2.036 2.175 4.735 1.00 0.42 N ATOM 700 CA ILE A 44 -1.639 2.463 6.078 1.00 0.46 C ATOM 701 C ILE A 44 -0.337 1.779 6.318 1.00 0.42 C ATOM 702 O ILE A 44 -0.113 0.650 5.886 1.00 0.53 O ATOM 703 CB ILE A 44 -2.613 2.084 7.154 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.121 2.321 6.968 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.167 2.656 8.509 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.653 3.725 7.247 1.00 1.27 C ATOM 0 H ILE A 44 -2.307 1.200 4.607 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.576 3.549 6.150 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.556 0.997 7.093 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.378 2.062 5.941 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.654 1.625 7.616 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.885 2.371 9.278 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.184 2.260 8.765 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.115 3.743 8.446 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.729 3.747 7.076 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.445 3.994 8.283 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.165 4.438 6.582 1.00 1.27 H new ATOM 718 N PHE A 45 0.622 2.448 6.983 1.00 0.42 N ATOM 719 CA PHE A 45 1.804 1.878 7.550 1.00 0.46 C ATOM 720 C PHE A 45 2.145 2.636 8.786 1.00 0.68 C ATOM 721 O PHE A 45 2.044 3.862 8.802 1.00 1.50 O ATOM 722 CB PHE A 45 2.867 1.744 6.446 1.00 0.56 C ATOM 723 CG PHE A 45 4.067 1.090 7.040 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.997 -0.205 7.495 1.00 1.19 C ATOM 725 CD2 PHE A 45 5.212 1.834 7.206 1.00 1.08 C ATOM 726 CE1 PHE A 45 5.112 -0.813 8.019 1.00 1.33 C ATOM 727 CE2 PHE A 45 6.312 1.222 7.761 1.00 1.20 C ATOM 728 CZ PHE A 45 6.246 -0.065 8.237 1.00 1.02 C ATOM 0 H PHE A 45 0.566 3.455 7.134 1.00 0.42 H new ATOM 0 HA PHE A 45 1.688 0.854 7.905 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.482 1.152 5.616 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.126 2.724 6.045 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.064 -0.746 7.441 1.00 1.19 H new ATOM 0 HD2 PHE A 45 5.247 2.872 6.908 1.00 1.08 H new ATOM 0 HE1 PHE A 45 5.099 -1.866 8.257 1.00 1.33 H new ATOM 0 HE2 PHE A 45 7.245 1.763 7.824 1.00 1.20 H new ATOM 0 HZ PHE A 45 7.079 -0.487 8.779 1.00 1.02 H new ATOM 738 N ALA A 46 2.670 1.915 9.792 1.00 0.81 N ATOM 739 CA ALA A 46 3.196 2.502 10.985 1.00 0.96 C ATOM 740 C ALA A 46 2.139 3.182 11.786 1.00 0.97 C ATOM 741 O ALA A 46 1.307 2.504 12.386 1.00 1.21 O ATOM 742 CB ALA A 46 4.461 3.341 10.737 1.00 1.20 C ATOM 0 H ALA A 46 2.731 0.897 9.776 1.00 0.81 H new ATOM 0 HA ALA A 46 3.547 1.686 11.617 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.811 3.759 11.681 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.239 2.709 10.310 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.231 4.151 10.045 1.00 1.20 H new ATOM 748 N GLY A 47 2.107 4.526 11.827 1.00 0.99 N ATOM 749 CA GLY A 47 1.115 5.296 12.512 1.00 1.10 C ATOM 750 C GLY A 47 0.633 6.359 11.587 1.00 1.03 C ATOM 751 O GLY A 47 0.092 7.364 12.046 1.00 1.30 O ATOM 0 H GLY A 47 2.806 5.103 11.360 1.00 0.99 H new ATOM 0 HA2 GLY A 47 0.287 4.659 12.824 1.00 1.10 H new ATOM 0 HA3 GLY A 47 1.534 5.739 13.415 1.00 1.10 H new ATOM 755 N LYS A 48 0.855 6.235 10.266 1.00 0.98 N ATOM 756 CA LYS A 48 0.355 7.203 9.339 1.00 1.05 C ATOM 757 C LYS A 48 -0.317 6.622 8.143 1.00 0.84 C ATOM 758 O LYS A 48 0.095 5.628 7.546 1.00 0.81 O ATOM 759 CB LYS A 48 1.511 8.085 8.838 1.00 1.42 C ATOM 760 CG LYS A 48 2.086 8.986 9.932 1.00 1.61 C ATOM 761 CD LYS A 48 2.986 10.087 9.366 1.00 1.87 C ATOM 762 CE LYS A 48 3.892 10.732 10.417 1.00 2.22 C ATOM 763 NZ LYS A 48 4.268 12.052 9.864 1.00 2.55 N ATOM 0 H LYS A 48 1.378 5.469 9.841 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.393 7.771 9.892 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.303 7.448 8.444 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.159 8.703 8.012 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.269 9.440 10.492 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.656 8.380 10.636 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.604 9.668 8.572 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.363 10.858 8.912 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.372 10.840 11.369 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.774 10.119 10.603 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 4.889 12.546 10.536 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.769 11.921 8.962 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.411 12.619 9.705 1.00 2.55 H new ATOM 777 N GLN A 49 -1.319 7.298 7.552 1.00 0.84 N ATOM 778 CA GLN A 49 -1.943 6.880 6.335 1.00 0.80 C ATOM 779 C GLN A 49 -1.192 7.615 5.279 1.00 0.72 C ATOM 780 O GLN A 49 -0.967 8.819 5.393 1.00 0.83 O ATOM 781 CB GLN A 49 -3.425 7.286 6.275 1.00 1.03 C ATOM 782 CG GLN A 49 -4.118 6.830 4.990 1.00 1.67 C ATOM 783 CD GLN A 49 -5.535 7.377 4.891 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.306 7.000 5.772 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.863 8.228 3.881 1.00 2.48 N ATOM 0 H GLN A 49 -1.707 8.161 7.932 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.919 5.795 6.228 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.947 6.862 7.133 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.503 8.370 6.358 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.539 7.160 4.127 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.145 5.741 4.958 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.162 8.492 3.188 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.810 8.602 3.817 1.00 2.48 H new ATOM 794 N LEU A 50 -0.720 6.950 4.211 1.00 0.69 N ATOM 795 CA LEU A 50 0.205 7.496 3.266 1.00 0.66 C ATOM 796 C LEU A 50 -0.445 8.246 2.155 1.00 0.72 C ATOM 797 O LEU A 50 -1.458 7.865 1.571 1.00 0.90 O ATOM 798 CB LEU A 50 0.790 6.273 2.539 1.00 0.65 C ATOM 799 CG LEU A 50 1.465 5.198 3.406 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.972 4.035 2.539 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.504 5.786 4.378 1.00 0.74 C ATOM 0 H LEU A 50 -0.994 5.991 3.996 1.00 0.69 H new ATOM 0 HA LEU A 50 0.888 8.150 3.808 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.014 5.798 1.976 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.520 6.629 1.813 1.00 0.65 H new ATOM 0 HG LEU A 50 0.713 4.767 4.067 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.446 3.287 3.175 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.133 3.583 2.010 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.697 4.409 1.817 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.949 4.982 4.965 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.283 6.297 3.812 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.016 6.496 5.046 1.00 0.74 H new ATOM 813 N GLU A 51 0.110 9.405 1.759 1.00 0.70 N ATOM 814 CA GLU A 51 -0.447 10.203 0.710 1.00 0.76 C ATOM 815 C GLU A 51 0.029 9.760 -0.630 1.00 0.77 C ATOM 816 O GLU A 51 1.090 9.160 -0.793 1.00 1.23 O ATOM 817 CB GLU A 51 -0.221 11.720 0.824 1.00 0.88 C ATOM 818 CG GLU A 51 -0.613 12.361 2.157 1.00 1.35 C ATOM 819 CD GLU A 51 -0.515 13.880 2.180 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.595 14.347 1.811 1.00 1.94 O ATOM 821 OE2 GLU A 51 -1.519 14.624 2.341 1.00 1.89 O ATOM 0 H GLU A 51 0.957 9.794 2.172 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.518 10.039 0.826 1.00 0.76 H new ATOM 0 HB2 GLU A 51 0.834 11.924 0.642 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.782 12.211 0.029 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.636 12.072 2.398 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.026 11.956 2.942 1.00 1.35 H new ATOM 828 N ASP A 52 -0.608 10.158 -1.745 1.00 0.66 N ATOM 829 CA ASP A 52 -0.347 9.632 -3.049 1.00 0.65 C ATOM 830 C ASP A 52 0.969 9.912 -3.689 1.00 0.60 C ATOM 831 O ASP A 52 1.784 9.030 -3.954 1.00 0.62 O ATOM 832 CB ASP A 52 -1.476 10.123 -3.971 1.00 0.81 C ATOM 833 CG ASP A 52 -2.763 9.482 -3.473 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.999 8.359 -3.992 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.517 10.106 -2.680 1.00 1.44 O ATOM 0 H ASP A 52 -1.334 10.875 -1.738 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.306 8.552 -2.904 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.551 11.210 -3.945 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.280 9.842 -5.006 1.00 0.81 H new ATOM 840 N GLY A 53 1.274 11.195 -3.956 1.00 0.68 N ATOM 841 CA GLY A 53 2.505 11.761 -4.415 1.00 0.73 C ATOM 842 C GLY A 53 3.576 11.803 -3.381 1.00 0.72 C ATOM 843 O GLY A 53 4.297 12.800 -3.362 1.00 0.97 O ATOM 0 H GLY A 53 0.568 11.921 -3.834 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.861 11.185 -5.269 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.317 12.774 -4.770 1.00 0.73 H new ATOM 847 N ARG A 54 3.784 10.795 -2.515 1.00 0.64 N ATOM 848 CA ARG A 54 4.935 10.679 -1.674 1.00 0.63 C ATOM 849 C ARG A 54 5.589 9.398 -2.064 1.00 0.59 C ATOM 850 O ARG A 54 4.926 8.539 -2.642 1.00 0.62 O ATOM 851 CB ARG A 54 4.466 10.497 -0.220 1.00 0.69 C ATOM 852 CG ARG A 54 3.676 11.745 0.181 1.00 0.82 C ATOM 853 CD ARG A 54 4.507 13.007 0.417 1.00 1.18 C ATOM 854 NE ARG A 54 3.502 13.890 1.071 1.00 1.50 N ATOM 855 CZ ARG A 54 3.984 15.123 1.406 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.311 15.439 1.464 1.00 2.49 N ATOM 857 NH2 ARG A 54 3.043 16.039 1.781 1.00 2.48 N ATOM 0 H ARG A 54 3.122 10.028 -2.396 1.00 0.64 H new ATOM 0 HA ARG A 54 5.585 11.549 -1.766 1.00 0.63 H new ATOM 0 HB2 ARG A 54 3.844 9.606 -0.129 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.321 10.358 0.442 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.943 11.955 -0.598 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.119 11.523 1.091 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.369 12.819 1.057 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.886 13.431 -0.513 1.00 1.18 H new ATOM 0 HE ARG A 54 2.541 13.600 1.252 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.014 14.731 1.249 1.00 2.49 H new ATOM 0 HH12 ARG A 54 5.600 16.383 1.722 1.00 2.49 H new ATOM 0 HH21 ARG A 54 2.057 15.780 1.797 1.00 2.48 H new ATOM 0 HH22 ARG A 54 3.327 16.982 2.046 1.00 2.48 H new ATOM 871 N THR A 55 6.890 9.298 -1.735 1.00 0.63 N ATOM 872 CA THR A 55 7.666 8.119 -1.966 1.00 0.61 C ATOM 873 C THR A 55 7.863 7.242 -0.778 1.00 0.59 C ATOM 874 O THR A 55 7.622 7.598 0.375 1.00 0.64 O ATOM 875 CB THR A 55 9.045 8.322 -2.519 1.00 0.68 C ATOM 876 OG1 THR A 55 9.948 9.001 -1.659 1.00 0.75 O ATOM 877 CG2 THR A 55 9.123 9.105 -3.840 1.00 0.76 C ATOM 0 H THR A 55 7.415 10.055 -1.298 1.00 0.63 H new ATOM 0 HA THR A 55 7.023 7.651 -2.711 1.00 0.61 H new ATOM 0 HB THR A 55 9.330 7.279 -2.660 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.675 9.938 -1.572 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.164 9.194 -4.149 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.559 8.577 -4.609 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.701 10.100 -3.699 1.00 0.76 H new ATOM 885 N LEU A 56 8.291 5.981 -0.970 1.00 0.58 N ATOM 886 CA LEU A 56 8.548 5.042 0.076 1.00 0.59 C ATOM 887 C LEU A 56 9.642 5.545 0.953 1.00 0.64 C ATOM 888 O LEU A 56 9.543 5.596 2.178 1.00 0.70 O ATOM 889 CB LEU A 56 8.818 3.689 -0.604 1.00 0.60 C ATOM 890 CG LEU A 56 7.536 3.110 -1.223 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.978 1.886 -2.044 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.616 2.527 -0.136 1.00 1.03 C ATOM 0 H LEU A 56 8.466 5.599 -1.899 1.00 0.58 H new ATOM 0 HA LEU A 56 7.704 4.909 0.753 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.575 3.813 -1.379 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.221 2.987 0.126 1.00 0.60 H new ATOM 0 HG LEU A 56 7.024 3.890 -1.786 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.107 1.428 -2.512 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.681 2.200 -2.816 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.460 1.162 -1.387 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.716 2.124 -0.599 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.139 1.731 0.395 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.341 3.313 0.568 1.00 1.03 H new ATOM 904 N SER A 57 10.740 6.088 0.397 1.00 0.68 N ATOM 905 CA SER A 57 11.812 6.786 1.037 1.00 0.75 C ATOM 906 C SER A 57 11.430 7.936 1.903 1.00 0.76 C ATOM 907 O SER A 57 11.980 8.208 2.969 1.00 0.84 O ATOM 908 CB SER A 57 12.807 7.388 0.030 1.00 0.84 C ATOM 909 OG SER A 57 13.607 6.334 -0.482 1.00 1.19 O ATOM 0 H SER A 57 10.890 6.030 -0.610 1.00 0.68 H new ATOM 0 HA SER A 57 12.235 5.990 1.650 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.274 7.889 -0.778 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.431 8.139 0.514 1.00 0.84 H new ATOM 0 HG SER A 57 14.249 6.695 -1.129 1.00 1.19 H new ATOM 915 N ASP A 58 10.588 8.864 1.415 1.00 0.75 N ATOM 916 CA ASP A 58 10.041 9.911 2.220 1.00 0.78 C ATOM 917 C ASP A 58 9.391 9.454 3.482 1.00 0.77 C ATOM 918 O ASP A 58 9.343 10.185 4.470 1.00 0.86 O ATOM 919 CB ASP A 58 8.890 10.652 1.519 1.00 0.83 C ATOM 920 CG ASP A 58 9.346 11.501 0.340 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.945 12.570 0.632 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.920 11.305 -0.830 1.00 1.90 O ATOM 0 H ASP A 58 10.281 8.888 0.443 1.00 0.75 H new ATOM 0 HA ASP A 58 10.922 10.524 2.410 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.158 9.924 1.171 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.385 11.291 2.243 1.00 0.83 H new ATOM 927 N TYR A 59 8.666 8.323 3.426 1.00 0.72 N ATOM 928 CA TYR A 59 8.034 7.723 4.560 1.00 0.73 C ATOM 929 C TYR A 59 8.875 6.800 5.374 1.00 0.76 C ATOM 930 O TYR A 59 8.452 6.432 6.468 1.00 0.89 O ATOM 931 CB TYR A 59 6.759 6.996 4.104 1.00 0.73 C ATOM 932 CG TYR A 59 5.652 7.981 3.958 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.186 8.706 5.029 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.085 8.066 2.707 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.129 9.561 4.823 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.992 8.890 2.569 1.00 0.70 C ATOM 937 CZ TYR A 59 3.516 9.670 3.597 1.00 0.74 C ATOM 938 OH TYR A 59 2.465 10.592 3.413 1.00 0.86 O ATOM 0 H TYR A 59 8.514 7.807 2.559 1.00 0.72 H new ATOM 0 HA TYR A 59 7.816 8.554 5.231 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.936 6.489 3.156 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.485 6.230 4.829 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.638 8.607 6.005 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.481 7.510 1.870 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.771 10.163 5.645 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.487 8.926 1.615 1.00 0.70 H new ATOM 0 HH TYR A 59 2.836 11.489 3.280 1.00 0.86 H new ATOM 948 N ASN A 60 10.054 6.367 4.892 1.00 0.74 N ATOM 949 CA ASN A 60 10.921 5.447 5.562 1.00 0.79 C ATOM 950 C ASN A 60 10.487 4.022 5.547 1.00 0.75 C ATOM 951 O ASN A 60 11.002 3.136 6.227 1.00 0.86 O ATOM 952 CB ASN A 60 11.509 5.881 6.915 1.00 0.95 C ATOM 953 CG ASN A 60 12.301 7.177 6.805 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.884 8.286 7.136 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.483 7.058 6.142 1.00 1.83 N ATOM 0 H ASN A 60 10.420 6.674 3.991 1.00 0.74 H new ATOM 0 HA ASN A 60 11.780 5.499 4.893 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.702 6.010 7.636 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.156 5.092 7.298 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.028 7.891 5.917 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.824 6.136 5.870 1.00 1.83 H new ATOM 962 N ILE A 61 9.655 3.662 4.553 1.00 0.67 N ATOM 963 CA ILE A 61 9.157 2.333 4.379 1.00 0.65 C ATOM 964 C ILE A 61 10.183 1.432 3.781 1.00 0.66 C ATOM 965 O ILE A 61 10.368 1.568 2.573 1.00 0.75 O ATOM 966 CB ILE A 61 7.872 2.307 3.605 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.831 3.231 4.261 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.426 0.839 3.510 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.468 3.128 3.577 1.00 0.82 C ATOM 0 H ILE A 61 9.318 4.317 3.848 1.00 0.67 H new ATOM 0 HA ILE A 61 8.932 1.948 5.374 1.00 0.65 H new ATOM 0 HB ILE A 61 7.999 2.694 2.594 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.729 2.973 5.315 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.182 4.262 4.218 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.492 0.778 2.952 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.193 0.258 2.998 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.277 0.438 4.513 1.00 0.72 H new ATOM 0 HD11 ILE A 61 4.762 3.796 4.070 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.564 3.412 2.529 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.104 2.103 3.643 1.00 0.82 H new ATOM 981 N GLN A 62 10.878 0.552 4.523 1.00 0.67 N ATOM 982 CA GLN A 62 11.916 -0.263 3.974 1.00 0.70 C ATOM 983 C GLN A 62 11.358 -1.557 3.487 1.00 0.62 C ATOM 984 O GLN A 62 10.194 -1.934 3.618 1.00 0.64 O ATOM 985 CB GLN A 62 12.970 -0.557 5.055 1.00 0.85 C ATOM 986 CG GLN A 62 13.731 0.713 5.440 1.00 1.27 C ATOM 987 CD GLN A 62 14.695 0.223 6.511 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.713 -0.368 6.155 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.477 0.457 7.833 1.00 2.16 N ATOM 0 H GLN A 62 10.717 0.404 5.519 1.00 0.67 H new ATOM 0 HA GLN A 62 12.371 0.273 3.141 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.485 -0.975 5.937 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.670 -1.308 4.690 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.258 1.141 4.588 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.062 1.484 5.821 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.634 0.947 8.132 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.157 0.143 8.525 1.00 2.16 H new ATOM 998 N LYS A 63 12.232 -2.434 2.962 1.00 0.64 N ATOM 999 CA LYS A 63 11.847 -3.754 2.567 1.00 0.62 C ATOM 1000 C LYS A 63 11.444 -4.611 3.716 1.00 0.59 C ATOM 1001 O LYS A 63 11.877 -4.395 4.848 1.00 0.66 O ATOM 1002 CB LYS A 63 12.978 -4.420 1.766 1.00 0.74 C ATOM 1003 CG LYS A 63 14.041 -5.151 2.589 1.00 0.89 C ATOM 1004 CD LYS A 63 15.354 -5.359 1.834 1.00 1.11 C ATOM 1005 CE LYS A 63 16.552 -6.185 2.308 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.196 -7.568 2.698 1.00 2.12 N ATOM 0 H LYS A 63 13.219 -2.225 2.809 1.00 0.64 H new ATOM 0 HA LYS A 63 10.965 -3.651 1.934 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.533 -5.131 1.070 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.473 -3.655 1.168 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.239 -4.584 3.499 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.649 -6.121 2.896 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.073 -5.779 0.868 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.744 -4.359 1.645 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.297 -6.220 1.513 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.016 -5.684 3.158 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.051 -8.072 3.008 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.507 -7.543 3.477 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.779 -8.062 1.883 1.00 2.12 H new ATOM 1020 N GLU A 64 10.558 -5.608 3.543 1.00 0.57 N ATOM 1021 CA GLU A 64 10.033 -6.522 4.508 1.00 0.58 C ATOM 1022 C GLU A 64 8.780 -6.085 5.185 1.00 0.56 C ATOM 1023 O GLU A 64 8.104 -6.856 5.865 1.00 0.70 O ATOM 1024 CB GLU A 64 11.146 -7.243 5.287 1.00 0.72 C ATOM 1025 CG GLU A 64 11.973 -8.163 4.387 1.00 0.96 C ATOM 1026 CD GLU A 64 13.251 -8.681 5.028 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.814 -8.093 5.991 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.704 -9.778 4.608 1.00 1.71 O ATOM 0 H GLU A 64 10.167 -5.791 2.619 1.00 0.57 H new ATOM 0 HA GLU A 64 9.579 -7.366 3.989 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.801 -6.505 5.750 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.704 -7.827 6.094 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.358 -9.013 4.093 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.230 -7.624 3.475 1.00 0.96 H new ATOM 1035 N SER A 65 8.467 -4.782 5.066 1.00 0.51 N ATOM 1036 CA SER A 65 7.424 -4.096 5.763 1.00 0.51 C ATOM 1037 C SER A 65 6.009 -4.428 5.437 1.00 0.43 C ATOM 1038 O SER A 65 5.526 -4.467 4.306 1.00 0.50 O ATOM 1039 CB SER A 65 7.582 -2.578 5.573 1.00 0.65 C ATOM 1040 OG SER A 65 8.871 -2.157 5.994 1.00 1.04 O ATOM 0 H SER A 65 8.981 -4.165 4.437 1.00 0.51 H new ATOM 0 HA SER A 65 7.569 -4.446 6.785 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.432 -2.319 4.525 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.817 -2.052 6.144 1.00 0.65 H new ATOM 0 HG SER A 65 9.488 -2.180 5.233 1.00 1.04 H new ATOM 1046 N THR A 66 5.206 -4.537 6.511 1.00 0.45 N ATOM 1047 CA THR A 66 3.824 -4.863 6.351 1.00 0.45 C ATOM 1048 C THR A 66 2.928 -3.672 6.349 1.00 0.43 C ATOM 1049 O THR A 66 2.768 -3.058 7.403 1.00 0.58 O ATOM 1050 CB THR A 66 3.293 -5.719 7.463 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.099 -6.858 7.729 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.934 -6.281 7.015 1.00 0.78 C ATOM 0 H THR A 66 5.508 -4.402 7.476 1.00 0.45 H new ATOM 0 HA THR A 66 3.810 -5.378 5.390 1.00 0.45 H new ATOM 0 HB THR A 66 3.254 -5.091 8.353 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.704 -7.374 8.462 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.522 -6.909 7.805 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.249 -5.458 6.811 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.066 -6.875 6.111 1.00 0.78 H new ATOM 1060 N LEU A 67 2.394 -3.395 5.145 1.00 0.38 N ATOM 1061 CA LEU A 67 1.425 -2.347 5.053 1.00 0.38 C ATOM 1062 C LEU A 67 0.054 -2.910 5.194 1.00 0.37 C ATOM 1063 O LEU A 67 -0.214 -4.104 5.070 1.00 0.50 O ATOM 1064 CB LEU A 67 1.444 -1.685 3.665 1.00 0.46 C ATOM 1065 CG LEU A 67 2.813 -1.163 3.200 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.722 -2.179 2.486 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.655 0.082 2.313 1.00 1.31 C ATOM 0 H LEU A 67 2.619 -3.872 4.272 1.00 0.38 H new ATOM 0 HA LEU A 67 1.669 -1.630 5.837 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.082 -2.406 2.933 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.740 -0.853 3.669 1.00 0.46 H new ATOM 0 HG LEU A 67 3.322 -0.923 4.134 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.658 -1.696 2.206 1.00 1.40 H new ATOM 0 HD12 LEU A 67 3.931 -3.014 3.155 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.222 -2.548 1.591 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.638 0.431 1.998 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.060 -0.170 1.435 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.154 0.869 2.877 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.895 -1.997 5.467 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.248 -2.344 5.776 1.00 0.37 C ATOM 1081 C HIS A 68 -3.131 -1.618 4.820 1.00 0.35 C ATOM 1082 O HIS A 68 -3.107 -0.395 4.693 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.469 -2.229 7.294 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.463 -2.972 8.122 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.409 -2.457 8.850 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.598 -4.275 8.486 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.147 -3.521 9.489 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.589 -4.610 9.367 1.00 1.51 N ATOM 0 H HIS A 68 -0.718 -0.993 5.473 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.520 -3.386 5.609 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.446 -1.176 7.574 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.465 -2.601 7.534 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.373 -4.943 8.140 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.080 -3.480 10.032 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.443 -5.509 9.826 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.940 -2.312 3.999 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.811 -1.812 2.981 1.00 0.38 C ATOM 1098 C LEU A 69 -6.209 -1.528 3.413 1.00 0.41 C ATOM 1099 O LEU A 69 -7.063 -2.413 3.442 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.746 -2.606 1.666 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.518 -2.062 0.451 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.542 -2.124 -0.736 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.834 -2.819 0.207 1.00 1.14 C ATOM 0 H LEU A 69 -3.986 -3.329 4.057 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.394 -0.828 2.768 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.697 -2.695 1.382 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.109 -3.614 1.867 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.843 -1.035 0.614 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.035 -1.749 -1.633 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -3.667 -1.511 -0.520 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.231 -3.156 -0.898 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.341 -2.397 -0.661 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -6.620 -3.872 0.026 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.476 -2.725 1.083 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.561 -0.241 3.585 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.867 0.217 3.946 1.00 0.56 C ATOM 1117 C VAL A 70 -8.558 0.516 2.661 1.00 0.55 C ATOM 1118 O VAL A 70 -7.937 1.040 1.738 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.800 1.345 4.932 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.201 1.622 5.504 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.905 0.818 6.067 1.00 0.97 C ATOM 0 H VAL A 70 -5.896 0.523 3.465 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.450 -0.529 4.486 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.425 2.263 4.478 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.146 2.442 6.220 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.878 1.892 4.694 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.573 0.728 6.005 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -6.802 1.584 6.835 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.356 -0.074 6.502 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.921 0.569 5.669 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.876 0.250 2.610 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.585 0.572 1.410 1.00 0.84 C ATOM 1133 C LEU A 71 -11.638 1.599 1.649 1.00 0.85 C ATOM 1134 O LEU A 71 -12.397 1.635 2.617 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.226 -0.693 0.818 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.187 -1.647 0.204 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.794 -2.998 -0.209 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.560 -0.983 -1.033 1.00 2.78 C ATOM 0 H LEU A 71 -10.429 -0.167 3.359 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.864 0.984 0.705 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.778 -1.216 1.599 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.948 -0.407 0.054 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.436 -1.844 0.969 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.016 -3.631 -0.636 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -11.221 -3.488 0.666 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.576 -2.834 -0.951 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -8.823 -1.655 -1.472 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.339 -0.770 -1.765 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.074 -0.053 -0.739 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.886 2.488 0.671 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.865 3.527 0.581 1.00 1.10 C ATOM 1152 C ARG A 72 -13.994 2.894 -0.157 1.00 1.35 C ATOM 1153 O ARG A 72 -13.773 1.981 -0.950 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.271 4.725 -0.181 1.00 1.34 C ATOM 1155 CG ARG A 72 -13.300 5.820 -0.467 1.00 1.65 C ATOM 1156 CD ARG A 72 -12.645 7.050 -1.096 1.00 1.99 C ATOM 1157 NE ARG A 72 -13.554 8.196 -0.811 1.00 2.54 N ATOM 1158 CZ ARG A 72 -13.111 9.486 -0.858 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -11.989 9.779 -1.577 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -13.814 10.493 -0.261 1.00 3.75 N ATOM 0 H ARG A 72 -11.315 2.471 -0.174 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.190 3.915 1.546 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -11.451 5.147 0.399 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -11.848 4.376 -1.123 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -14.069 5.433 -1.136 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -13.798 6.105 0.460 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -11.656 7.223 -0.673 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -12.514 6.915 -2.170 1.00 1.99 H new ATOM 0 HE ARG A 72 -14.529 8.012 -0.575 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -11.492 9.038 -2.071 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -11.647 10.739 -1.620 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -14.684 10.286 0.229 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -13.469 11.452 -0.305 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.250 3.303 0.093 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.495 2.885 -0.474 1.00 1.93 C ATOM 1176 C LEU A 73 -16.600 3.510 -1.823 1.00 2.13 C ATOM 1177 O LEU A 73 -16.217 4.666 -2.000 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.644 3.367 0.429 1.00 2.23 C ATOM 1179 CG LEU A 73 -19.091 2.962 0.098 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -19.190 1.428 0.095 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -20.060 3.662 1.067 1.00 3.14 C ATOM 0 H LEU A 73 -15.409 4.029 0.792 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.551 1.800 -0.557 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -17.431 3.020 1.440 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -17.607 4.456 0.451 1.00 2.23 H new ATOM 0 HG LEU A 73 -19.382 3.293 -0.899 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -20.212 1.130 -0.139 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -18.513 1.021 -0.656 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -18.916 1.044 1.077 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -21.084 3.373 0.830 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -19.828 3.367 2.090 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -19.956 4.743 0.968 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.864 2.758 -2.907 1.00 2.32 N ATOM 1194 CA ARG A 74 -17.084 3.351 -4.189 1.00 2.55 C ATOM 1195 C ARG A 74 -18.331 4.153 -4.341 1.00 2.58 C ATOM 1196 O ARG A 74 -18.385 5.379 -4.251 1.00 3.08 O ATOM 1197 CB ARG A 74 -16.856 2.298 -5.287 1.00 3.29 C ATOM 1198 CG ARG A 74 -16.881 2.911 -6.689 1.00 4.01 C ATOM 1199 CD ARG A 74 -16.344 1.899 -7.702 1.00 4.67 C ATOM 1200 NE ARG A 74 -16.068 2.771 -8.879 1.00 5.36 N ATOM 1201 CZ ARG A 74 -15.412 2.374 -10.007 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -15.006 1.094 -10.257 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -15.220 3.354 -10.938 1.00 6.80 N ATOM 0 H ARG A 74 -16.925 1.740 -2.895 1.00 2.32 H new ATOM 0 HA ARG A 74 -16.336 4.136 -4.302 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -15.897 1.807 -5.124 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -17.624 1.528 -5.215 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -17.899 3.199 -6.953 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -16.277 3.818 -6.711 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -15.445 1.398 -7.343 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -17.073 1.121 -7.930 1.00 4.67 H new ATOM 0 HE ARG A 74 -16.394 3.737 -8.838 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -15.189 0.358 -9.575 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -14.519 0.874 -11.126 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -15.559 4.299 -10.761 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -14.737 3.141 -11.811 1.00 6.80 H new ATOM 1217 N GLY A 75 -19.431 3.442 -4.646 1.00 2.73 N ATOM 1218 CA GLY A 75 -20.656 4.110 -4.959 1.00 3.22 C ATOM 1219 C GLY A 75 -20.636 3.898 -6.434 1.00 3.16 C ATOM 1220 O GLY A 75 -21.208 2.948 -6.964 1.00 3.57 O ATOM 0 H GLY A 75 -19.474 2.423 -4.676 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -21.522 3.658 -4.476 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -20.649 5.164 -4.680 1.00 3.22 H new ATOM 1224 N GLY A 76 -19.991 4.844 -7.140 1.00 3.14 N ATOM 1225 CA GLY A 76 -19.867 4.716 -8.559 1.00 3.37 C ATOM 1226 C GLY A 76 -18.588 5.403 -9.017 1.00 3.48 C ATOM 1227 O GLY A 76 -18.181 6.316 -8.250 1.00 3.87 O ATOM 1228 OXT GLY A 76 -17.949 4.971 -10.013 1.00 3.70 O ATOM 0 H GLY A 76 -19.564 5.680 -6.740 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -19.848 3.663 -8.840 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -20.730 5.163 -9.053 1.00 3.37 H new TER 1232 GLY A 76