USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.131 (180deg=-0.771) USER MOD Single : A 2 GLN : amide:sc= -0.146 K(o=-0.15,f=-1) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 150:sc= -0.709 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 12:sc= -4.32! USER MOD Single : A 35 ASN : amide:sc= -0.865 K(o=-0.86,f=-2.3!) USER MOD Single : A 37 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.4) USER MOD Single : A 45 SER OG : rot -19:sc= 1.03 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -70:sc= -0.753 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc=-4.18e-05 K(o=-4.2e-05,f=-0.52) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.21! K(o=-2.2!,f=-0.97) USER MOD Single : A 73 HIS : no HD1:sc= -23.8! C(o=-24!,f=-26!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 166:sc= -0.858 (180deg=-1.42) USER MOD Single : A 82 THR OG1 : rot 88:sc= 0.936 USER MOD Single : A 84 HIS : no HE2:sc= -14.3! C(o=-14!,f=-16!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -43:sc= 0.751 USER MOD Single : A 94 TYR OH : rot 28:sc= -0.102 USER MOD Single : A 95 GLN : amide:sc= -2.51 K(o=-2.5,f=-4.9!) USER MOD Single : A 96 GLN : amide:sc= -3.47! C(o=-3.5!,f=-15!) USER MOD Single : A 101 TYR OH : rot -115:sc= -6.18! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.085 X(o=0.085,f=-0.39) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.778 -16.376 4.013 1.00 0.00 N ATOM 2 CA MET A 1 15.944 -17.019 2.957 1.00 0.00 C ATOM 3 C MET A 1 14.581 -16.342 2.833 1.00 0.00 C ATOM 4 O MET A 1 13.548 -17.007 2.765 1.00 0.00 O ATOM 5 CB MET A 1 15.767 -18.502 3.296 1.00 0.00 C ATOM 6 CG MET A 1 15.054 -18.744 4.616 1.00 0.00 C ATOM 7 SD MET A 1 15.561 -20.282 5.406 1.00 0.00 S ATOM 8 CE MET A 1 14.446 -21.444 4.619 1.00 0.00 C ATOM 0 H1 MET A 1 17.428 -17.079 4.418 1.00 0.00 H new ATOM 0 H2 MET A 1 17.327 -15.597 3.596 1.00 0.00 H new ATOM 0 H3 MET A 1 16.162 -16.002 4.762 1.00 0.00 H new ATOM 0 HA MET A 1 16.452 -16.913 1.998 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.206 -18.984 2.496 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.747 -18.978 3.330 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.253 -17.911 5.290 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.978 -18.765 4.445 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.635 -22.446 5.003 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.415 -21.161 4.833 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.609 -21.432 3.541 1.00 0.00 H new ATOM 20 N GLN A 2 14.588 -15.013 2.798 1.00 0.00 N ATOM 21 CA GLN A 2 13.355 -14.244 2.675 1.00 0.00 C ATOM 22 C GLN A 2 13.410 -13.339 1.448 1.00 0.00 C ATOM 23 O GLN A 2 14.450 -12.759 1.136 1.00 0.00 O ATOM 24 CB GLN A 2 13.114 -13.407 3.931 1.00 0.00 C ATOM 25 CG GLN A 2 12.156 -14.055 4.917 1.00 0.00 C ATOM 26 CD GLN A 2 12.531 -13.789 6.361 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.710 -13.751 6.711 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.525 -13.601 7.209 1.00 0.00 N ATOM 0 H GLN A 2 15.434 -14.446 2.853 1.00 0.00 H new ATOM 0 HA GLN A 2 12.528 -14.945 2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.068 -13.228 4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.719 -12.434 3.639 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.148 -13.684 4.734 1.00 0.00 H new ATOM 0 HG3 GLN A 2 12.136 -15.131 4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.562 -13.641 6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.716 -13.416 8.194 1.00 0.00 H new ATOM 37 N ARG A 3 12.286 -13.233 0.752 1.00 0.00 N ATOM 38 CA ARG A 3 12.203 -12.409 -0.445 1.00 0.00 C ATOM 39 C ARG A 3 12.141 -10.932 -0.099 1.00 0.00 C ATOM 40 O ARG A 3 13.024 -10.155 -0.463 1.00 0.00 O ATOM 41 CB ARG A 3 10.981 -12.801 -1.272 1.00 0.00 C ATOM 42 CG ARG A 3 11.210 -12.713 -2.770 1.00 0.00 C ATOM 43 CD ARG A 3 11.741 -14.024 -3.326 1.00 0.00 C ATOM 44 NE ARG A 3 13.180 -13.972 -3.577 1.00 0.00 N ATOM 45 CZ ARG A 3 13.724 -13.495 -4.694 1.00 0.00 C ATOM 46 NH1 ARG A 3 12.955 -13.032 -5.673 1.00 0.00 N ATOM 47 NH2 ARG A 3 15.043 -13.481 -4.833 1.00 0.00 N ATOM 0 H ARG A 3 11.418 -13.709 0.997 1.00 0.00 H new ATOM 0 HA ARG A 3 13.106 -12.582 -1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 3 10.691 -13.820 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.146 -12.154 -1.001 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.275 -12.456 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.917 -11.911 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 3 11.525 -14.829 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 3 11.220 -14.261 -4.253 1.00 0.00 H new ATOM 0 HE ARG A 3 13.806 -14.323 -2.852 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.940 -13.040 -5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.379 -12.668 -6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.638 -13.835 -4.085 1.00 0.00 H new ATOM 0 HH22 ARG A 3 15.462 -13.116 -5.688 1.00 0.00 H new ATOM 61 N GLY A 4 11.090 -10.558 0.601 1.00 0.00 N ATOM 62 CA GLY A 4 10.911 -9.174 0.993 1.00 0.00 C ATOM 63 C GLY A 4 10.562 -8.274 -0.178 1.00 0.00 C ATOM 64 O GLY A 4 11.410 -7.537 -0.677 1.00 0.00 O ATOM 0 H GLY A 4 10.350 -11.189 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.121 -9.112 1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.825 -8.813 1.464 1.00 0.00 H new ATOM 68 N ILE A 5 9.309 -8.337 -0.619 1.00 0.00 N ATOM 69 CA ILE A 5 8.850 -7.517 -1.734 1.00 0.00 C ATOM 70 C ILE A 5 7.860 -6.456 -1.269 1.00 0.00 C ATOM 71 O ILE A 5 6.756 -6.774 -0.831 1.00 0.00 O ATOM 72 CB ILE A 5 8.172 -8.357 -2.832 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.965 -9.635 -3.103 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.014 -7.536 -4.104 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.403 -10.845 -2.393 1.00 0.00 C ATOM 0 H ILE A 5 8.595 -8.947 -0.221 1.00 0.00 H new ATOM 0 HA ILE A 5 9.742 -7.043 -2.144 1.00 0.00 H new ATOM 0 HB ILE A 5 7.180 -8.645 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.980 -9.825 -4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.999 -9.486 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.533 -8.143 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.400 -6.659 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.995 -7.217 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.011 -11.719 -2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.414 -10.673 -1.317 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.378 -11.017 -2.723 1.00 0.00 H new ATOM 87 N VAL A 6 8.252 -5.196 -1.382 1.00 0.00 N ATOM 88 CA VAL A 6 7.386 -4.091 -0.986 1.00 0.00 C ATOM 89 C VAL A 6 6.873 -3.355 -2.215 1.00 0.00 C ATOM 90 O VAL A 6 7.653 -2.851 -3.019 1.00 0.00 O ATOM 91 CB VAL A 6 8.117 -3.093 -0.065 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.322 -2.497 -0.771 1.00 0.00 C ATOM 93 CG2 VAL A 6 7.167 -2.000 0.405 1.00 0.00 C ATOM 0 H VAL A 6 9.162 -4.911 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 6 6.549 -4.519 -0.434 1.00 0.00 H new ATOM 0 HB VAL A 6 8.472 -3.633 0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.824 -1.796 -0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.013 -3.294 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.995 -1.973 -1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.703 -1.307 1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.776 -1.461 -0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.341 -2.448 0.957 1.00 0.00 H new ATOM 103 N TRP A 7 5.558 -3.295 -2.364 1.00 0.00 N ATOM 104 CA TRP A 7 4.956 -2.618 -3.505 1.00 0.00 C ATOM 105 C TRP A 7 4.233 -1.357 -3.057 1.00 0.00 C ATOM 106 O TRP A 7 3.499 -1.366 -2.068 1.00 0.00 O ATOM 107 CB TRP A 7 4.014 -3.565 -4.244 1.00 0.00 C ATOM 108 CG TRP A 7 4.744 -4.508 -5.160 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.086 -4.768 -5.160 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.182 -5.311 -6.207 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.395 -5.671 -6.145 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.242 -6.023 -6.801 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.888 -5.496 -6.703 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.047 -6.905 -7.861 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.696 -6.374 -7.757 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.770 -7.067 -8.323 1.00 0.00 C ATOM 0 H TRP A 7 4.889 -3.705 -1.712 1.00 0.00 H new ATOM 0 HA TRP A 7 5.746 -2.320 -4.195 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.440 -4.141 -3.518 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.299 -2.981 -4.824 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.801 -4.326 -4.482 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.329 -6.023 -6.356 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.053 -4.964 -6.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.874 -7.441 -8.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.701 -6.526 -8.148 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.587 -7.745 -9.143 1.00 0.00 H new ATOM 127 N VAL A 8 4.471 -0.265 -3.775 1.00 0.00 N ATOM 128 CA VAL A 8 3.866 1.019 -3.436 1.00 0.00 C ATOM 129 C VAL A 8 3.099 1.618 -4.605 1.00 0.00 C ATOM 130 O VAL A 8 3.467 1.438 -5.761 1.00 0.00 O ATOM 131 CB VAL A 8 4.932 2.054 -2.996 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.498 2.757 -1.724 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.304 1.409 -2.818 1.00 0.00 C ATOM 0 H VAL A 8 5.078 -0.242 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 8 3.180 0.811 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 8 5.021 2.796 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.259 3.480 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.554 3.274 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.369 2.023 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.025 2.166 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.245 0.632 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.624 0.967 -3.762 1.00 0.00 H new ATOM 143 N VAL A 9 2.052 2.367 -4.293 1.00 0.00 N ATOM 144 CA VAL A 9 1.265 3.034 -5.323 1.00 0.00 C ATOM 145 C VAL A 9 1.134 4.518 -4.988 1.00 0.00 C ATOM 146 O VAL A 9 0.387 4.891 -4.084 1.00 0.00 O ATOM 147 CB VAL A 9 -0.144 2.415 -5.496 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.443 2.225 -6.972 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.275 1.094 -4.750 1.00 0.00 C ATOM 0 H VAL A 9 1.727 2.529 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 9 1.793 2.901 -6.267 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.871 3.103 -5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.435 1.789 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.409 3.190 -7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.300 1.559 -7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.277 0.692 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.460 0.386 -5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.101 1.258 -3.687 1.00 0.00 H new ATOM 159 N ASP A 10 1.875 5.361 -5.711 1.00 0.00 N ATOM 160 CA ASP A 10 1.846 6.803 -5.468 1.00 0.00 C ATOM 161 C ASP A 10 2.503 7.588 -6.605 1.00 0.00 C ATOM 162 O ASP A 10 3.551 8.206 -6.424 1.00 0.00 O ATOM 163 CB ASP A 10 2.553 7.126 -4.153 1.00 0.00 C ATOM 164 CG ASP A 10 2.238 8.522 -3.652 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.710 9.332 -4.443 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.527 8.809 -2.472 1.00 0.00 O ATOM 0 H ASP A 10 2.498 5.071 -6.465 1.00 0.00 H new ATOM 0 HA ASP A 10 0.800 7.103 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.259 6.397 -3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.630 7.027 -4.289 1.00 0.00 H new ATOM 171 N ASP A 11 1.873 7.569 -7.768 1.00 0.00 N ATOM 172 CA ASP A 11 2.375 8.288 -8.939 1.00 0.00 C ATOM 173 C ASP A 11 3.759 7.800 -9.381 1.00 0.00 C ATOM 174 O ASP A 11 4.362 8.382 -10.282 1.00 0.00 O ATOM 175 CB ASP A 11 2.425 9.791 -8.648 1.00 0.00 C ATOM 176 CG ASP A 11 2.646 10.617 -9.900 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.708 10.720 -10.718 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.759 11.161 -10.063 1.00 0.00 O ATOM 0 H ASP A 11 1.004 7.060 -7.932 1.00 0.00 H new ATOM 0 HA ASP A 11 1.684 8.088 -9.758 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.492 10.097 -8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.226 9.994 -7.937 1.00 0.00 H new ATOM 183 N ASP A 12 4.254 6.733 -8.757 1.00 0.00 N ATOM 184 CA ASP A 12 5.561 6.175 -9.101 1.00 0.00 C ATOM 185 C ASP A 12 6.621 7.275 -9.274 1.00 0.00 C ATOM 186 O ASP A 12 6.556 8.313 -8.614 1.00 0.00 O ATOM 187 CB ASP A 12 5.441 5.323 -10.372 1.00 0.00 C ATOM 188 CG ASP A 12 5.171 6.156 -11.610 1.00 0.00 C ATOM 189 OD1 ASP A 12 3.986 6.439 -11.887 1.00 0.00 O ATOM 190 OD2 ASP A 12 6.143 6.524 -12.304 1.00 0.00 O ATOM 0 H ASP A 12 3.769 6.237 -8.009 1.00 0.00 H new ATOM 0 HA ASP A 12 5.891 5.542 -8.277 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.362 4.757 -10.513 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.637 4.598 -10.244 1.00 0.00 H new ATOM 195 N SER A 13 7.587 7.044 -10.171 1.00 0.00 N ATOM 196 CA SER A 13 8.654 7.999 -10.453 1.00 0.00 C ATOM 197 C SER A 13 9.114 8.760 -9.203 1.00 0.00 C ATOM 198 O SER A 13 9.984 8.287 -8.471 1.00 0.00 O ATOM 199 CB SER A 13 8.194 8.945 -11.557 1.00 0.00 C ATOM 200 OG SER A 13 9.294 9.466 -12.283 1.00 0.00 O ATOM 0 H SER A 13 7.647 6.187 -10.720 1.00 0.00 H new ATOM 0 HA SER A 13 9.530 7.447 -10.793 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.525 8.416 -12.236 1.00 0.00 H new ATOM 0 HB3 SER A 13 7.623 9.765 -11.121 1.00 0.00 H new ATOM 0 HG SER A 13 8.968 10.067 -12.985 1.00 0.00 H new ATOM 206 N SER A 14 8.540 9.932 -8.964 1.00 0.00 N ATOM 207 CA SER A 14 8.906 10.744 -7.805 1.00 0.00 C ATOM 208 C SER A 14 8.789 9.939 -6.516 1.00 0.00 C ATOM 209 O SER A 14 9.789 9.672 -5.850 1.00 0.00 O ATOM 210 CB SER A 14 8.021 11.989 -7.724 1.00 0.00 C ATOM 211 OG SER A 14 8.438 12.845 -6.675 1.00 0.00 O ATOM 0 H SER A 14 7.819 10.344 -9.556 1.00 0.00 H new ATOM 0 HA SER A 14 9.944 11.053 -7.926 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.057 12.526 -8.672 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.984 11.692 -7.565 1.00 0.00 H new ATOM 0 HG SER A 14 7.857 13.634 -6.646 1.00 0.00 H new ATOM 217 N ILE A 15 7.567 9.552 -6.169 1.00 0.00 N ATOM 218 CA ILE A 15 7.339 8.778 -4.958 1.00 0.00 C ATOM 219 C ILE A 15 8.088 7.446 -5.001 1.00 0.00 C ATOM 220 O ILE A 15 8.339 6.831 -3.965 1.00 0.00 O ATOM 221 CB ILE A 15 5.839 8.521 -4.701 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.041 9.824 -4.851 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.647 7.927 -3.311 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.340 10.855 -3.783 1.00 0.00 C ATOM 0 H ILE A 15 6.725 9.760 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 15 7.725 9.379 -4.134 1.00 0.00 H new ATOM 0 HB ILE A 15 5.468 7.809 -5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.252 10.257 -5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.976 9.591 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.586 7.748 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.191 6.985 -3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.026 8.623 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.737 11.746 -3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.102 10.443 -2.803 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.397 11.119 -3.818 1.00 0.00 H new ATOM 236 N ARG A 16 8.446 7.005 -6.207 1.00 0.00 N ATOM 237 CA ARG A 16 9.172 5.748 -6.378 1.00 0.00 C ATOM 238 C ARG A 16 10.598 5.868 -5.848 1.00 0.00 C ATOM 239 O ARG A 16 11.009 5.115 -4.965 1.00 0.00 O ATOM 240 CB ARG A 16 9.195 5.333 -7.855 1.00 0.00 C ATOM 241 CG ARG A 16 9.868 3.990 -8.113 1.00 0.00 C ATOM 242 CD ARG A 16 10.481 3.923 -9.505 1.00 0.00 C ATOM 243 NE ARG A 16 9.469 4.028 -10.557 1.00 0.00 N ATOM 244 CZ ARG A 16 8.574 3.079 -10.825 1.00 0.00 C ATOM 245 NH1 ARG A 16 8.576 1.940 -10.142 1.00 0.00 N ATOM 246 NH2 ARG A 16 7.673 3.266 -11.781 1.00 0.00 N ATOM 0 H ARG A 16 8.246 7.498 -7.077 1.00 0.00 H new ATOM 0 HA ARG A 16 8.652 4.980 -5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.171 5.291 -8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.711 6.102 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.644 3.823 -7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.137 3.189 -7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.208 4.727 -9.620 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.024 2.984 -9.617 1.00 0.00 H new ATOM 0 HE ARG A 16 9.448 4.879 -11.119 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.266 1.788 -9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.887 1.218 -10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.666 4.137 -12.311 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.988 2.538 -11.986 1.00 0.00 H new ATOM 260 N TRP A 17 11.349 6.815 -6.399 1.00 0.00 N ATOM 261 CA TRP A 17 12.734 7.029 -5.990 1.00 0.00 C ATOM 262 C TRP A 17 12.870 7.173 -4.476 1.00 0.00 C ATOM 263 O TRP A 17 13.831 6.682 -3.882 1.00 0.00 O ATOM 264 CB TRP A 17 13.313 8.269 -6.673 1.00 0.00 C ATOM 265 CG TRP A 17 14.771 8.452 -6.386 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.802 7.714 -6.891 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.361 9.424 -5.514 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.997 8.164 -6.385 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.754 9.213 -5.539 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.848 10.451 -4.715 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.640 9.990 -4.795 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.730 11.222 -3.977 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.111 10.987 -4.022 1.00 0.00 C ATOM 0 H TRP A 17 11.023 7.447 -7.130 1.00 0.00 H new ATOM 0 HA TRP A 17 13.294 6.146 -6.298 1.00 0.00 H new ATOM 0 HB2 TRP A 17 13.165 8.189 -7.750 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.767 9.152 -6.341 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.694 6.895 -7.587 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.916 7.779 -6.604 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.785 10.639 -4.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.705 9.812 -4.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.347 12.018 -3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.772 11.606 -3.434 1.00 0.00 H new ATOM 284 N VAL A 18 11.922 7.868 -3.857 1.00 0.00 N ATOM 285 CA VAL A 18 11.967 8.096 -2.416 1.00 0.00 C ATOM 286 C VAL A 18 11.864 6.806 -1.614 1.00 0.00 C ATOM 287 O VAL A 18 12.664 6.558 -0.713 1.00 0.00 O ATOM 288 CB VAL A 18 10.849 9.051 -1.943 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.099 9.491 -0.509 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.736 10.261 -2.856 1.00 0.00 C ATOM 0 H VAL A 18 11.117 8.282 -4.327 1.00 0.00 H new ATOM 0 HA VAL A 18 12.940 8.552 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 18 9.904 8.509 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.302 10.164 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.118 8.617 0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.056 10.009 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.941 10.914 -2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.680 10.805 -2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.506 9.932 -3.869 1.00 0.00 H new ATOM 300 N LEU A 19 10.856 6.012 -1.917 1.00 0.00 N ATOM 301 CA LEU A 19 10.620 4.768 -1.195 1.00 0.00 C ATOM 302 C LEU A 19 11.439 3.597 -1.723 1.00 0.00 C ATOM 303 O LEU A 19 11.693 2.639 -0.991 1.00 0.00 O ATOM 304 CB LEU A 19 9.137 4.407 -1.223 1.00 0.00 C ATOM 305 CG LEU A 19 8.606 3.804 0.074 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.765 4.787 1.220 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.152 3.402 -0.083 1.00 0.00 C ATOM 0 H LEU A 19 10.183 6.203 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 19 10.944 4.949 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.562 5.304 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.964 3.700 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 19 9.187 2.911 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.381 4.341 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.820 5.029 1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.208 5.697 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.790 2.974 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.557 4.280 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.063 2.663 -0.879 1.00 0.00 H new ATOM 319 N GLU A 20 11.836 3.652 -2.983 1.00 0.00 N ATOM 320 CA GLU A 20 12.603 2.556 -3.564 1.00 0.00 C ATOM 321 C GLU A 20 13.977 2.433 -2.922 1.00 0.00 C ATOM 322 O GLU A 20 14.319 1.397 -2.356 1.00 0.00 O ATOM 323 CB GLU A 20 12.731 2.703 -5.087 1.00 0.00 C ATOM 324 CG GLU A 20 13.651 3.818 -5.553 1.00 0.00 C ATOM 325 CD GLU A 20 13.659 3.973 -7.062 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.663 4.487 -7.613 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.663 3.584 -7.693 1.00 0.00 O ATOM 0 H GLU A 20 11.646 4.428 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 20 12.052 1.638 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.092 1.760 -5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.739 2.874 -5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.338 4.757 -5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.665 3.617 -5.206 1.00 0.00 H new ATOM 334 N ARG A 21 14.762 3.489 -3.024 1.00 0.00 N ATOM 335 CA ARG A 21 16.111 3.507 -2.472 1.00 0.00 C ATOM 336 C ARG A 21 16.113 3.245 -0.969 1.00 0.00 C ATOM 337 O ARG A 21 16.833 2.371 -0.486 1.00 0.00 O ATOM 338 CB ARG A 21 16.779 4.847 -2.775 1.00 0.00 C ATOM 339 CG ARG A 21 17.024 5.077 -4.258 1.00 0.00 C ATOM 340 CD ARG A 21 18.497 4.941 -4.608 1.00 0.00 C ATOM 341 NE ARG A 21 19.223 6.190 -4.388 1.00 0.00 N ATOM 342 CZ ARG A 21 20.351 6.286 -3.683 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.904 5.209 -3.139 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.931 7.468 -3.527 1.00 0.00 N ATOM 0 H ARG A 21 14.488 4.355 -3.488 1.00 0.00 H new ATOM 0 HA ARG A 21 16.675 2.703 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.154 5.652 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.730 4.899 -2.245 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.443 4.360 -4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.673 6.071 -4.536 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.943 4.150 -4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.597 4.641 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 21 18.843 7.042 -4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 21 20.466 4.296 -3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.767 5.295 -2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.514 8.300 -3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.794 7.546 -2.988 1.00 0.00 H new ATOM 358 N ALA A 22 15.320 4.012 -0.233 1.00 0.00 N ATOM 359 CA ALA A 22 15.250 3.865 1.217 1.00 0.00 C ATOM 360 C ALA A 22 14.887 2.449 1.623 1.00 0.00 C ATOM 361 O ALA A 22 15.532 1.856 2.488 1.00 0.00 O ATOM 362 CB ALA A 22 14.261 4.864 1.806 1.00 0.00 C ATOM 0 H ALA A 22 14.717 4.741 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 22 16.242 4.074 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.221 4.741 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.582 5.878 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.272 4.688 1.384 1.00 0.00 H new ATOM 368 N LEU A 23 13.862 1.909 0.996 1.00 0.00 N ATOM 369 CA LEU A 23 13.429 0.555 1.297 1.00 0.00 C ATOM 370 C LEU A 23 14.420 -0.450 0.729 1.00 0.00 C ATOM 371 O LEU A 23 14.549 -1.566 1.232 1.00 0.00 O ATOM 372 CB LEU A 23 12.017 0.300 0.761 1.00 0.00 C ATOM 373 CG LEU A 23 11.209 -0.784 1.493 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.619 -0.900 2.957 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.721 -0.492 1.387 1.00 0.00 C ATOM 0 H LEU A 23 13.314 2.382 0.278 1.00 0.00 H new ATOM 0 HA LEU A 23 13.397 0.433 2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.458 1.235 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.092 0.022 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 23 11.423 -1.738 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.026 -1.676 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.676 -1.159 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.449 0.052 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.160 -1.267 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.507 0.477 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.427 -0.476 0.337 1.00 0.00 H new ATOM 387 N ALA A 24 15.148 -0.037 -0.303 1.00 0.00 N ATOM 388 CA ALA A 24 16.151 -0.896 -0.900 1.00 0.00 C ATOM 389 C ALA A 24 17.299 -1.072 0.081 1.00 0.00 C ATOM 390 O ALA A 24 17.901 -2.142 0.164 1.00 0.00 O ATOM 391 CB ALA A 24 16.650 -0.327 -2.222 1.00 0.00 C ATOM 0 H ALA A 24 15.060 0.882 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 24 15.705 -1.867 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.401 -0.994 -2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.815 -0.234 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.091 0.655 -2.052 1.00 0.00 H new ATOM 397 N GLY A 25 17.577 -0.015 0.846 1.00 0.00 N ATOM 398 CA GLY A 25 18.628 -0.087 1.837 1.00 0.00 C ATOM 399 C GLY A 25 18.316 -1.132 2.888 1.00 0.00 C ATOM 400 O GLY A 25 19.221 -1.718 3.483 1.00 0.00 O ATOM 0 H GLY A 25 17.094 0.882 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.574 -0.326 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.751 0.886 2.313 1.00 0.00 H new ATOM 404 N ALA A 26 17.023 -1.374 3.104 1.00 0.00 N ATOM 405 CA ALA A 26 16.585 -2.361 4.077 1.00 0.00 C ATOM 406 C ALA A 26 16.747 -3.779 3.532 1.00 0.00 C ATOM 407 O ALA A 26 16.735 -4.748 4.292 1.00 0.00 O ATOM 408 CB ALA A 26 15.138 -2.111 4.471 1.00 0.00 C ATOM 0 H ALA A 26 16.265 -0.898 2.616 1.00 0.00 H new ATOM 0 HA ALA A 26 17.213 -2.263 4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.825 -2.858 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.047 -1.117 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.503 -2.178 3.587 1.00 0.00 H new ATOM 414 N GLY A 27 16.923 -3.894 2.216 1.00 0.00 N ATOM 415 CA GLY A 27 17.113 -5.200 1.610 1.00 0.00 C ATOM 416 C GLY A 27 15.857 -5.787 0.981 1.00 0.00 C ATOM 417 O GLY A 27 15.736 -7.008 0.879 1.00 0.00 O ATOM 0 H GLY A 27 16.937 -3.110 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.887 -5.124 0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.482 -5.890 2.369 1.00 0.00 H new ATOM 421 N LEU A 28 14.919 -4.941 0.551 1.00 0.00 N ATOM 422 CA LEU A 28 13.692 -5.436 -0.067 1.00 0.00 C ATOM 423 C LEU A 28 13.493 -4.858 -1.466 1.00 0.00 C ATOM 424 O LEU A 28 14.186 -3.924 -1.871 1.00 0.00 O ATOM 425 CB LEU A 28 12.469 -5.119 0.799 1.00 0.00 C ATOM 426 CG LEU A 28 12.753 -4.906 2.285 1.00 0.00 C ATOM 427 CD1 LEU A 28 13.036 -3.453 2.558 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.591 -5.405 3.131 1.00 0.00 C ATOM 0 H LEU A 28 14.985 -3.925 0.618 1.00 0.00 H new ATOM 0 HA LEU A 28 13.796 -6.518 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.990 -4.222 0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.752 -5.934 0.697 1.00 0.00 H new ATOM 0 HG LEU A 28 13.636 -5.483 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.237 -3.315 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.905 -3.137 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.172 -2.854 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.813 -5.244 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.686 -4.860 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.440 -6.469 2.950 1.00 0.00 H new ATOM 440 N THR A 29 12.527 -5.416 -2.193 1.00 0.00 N ATOM 441 CA THR A 29 12.218 -4.953 -3.545 1.00 0.00 C ATOM 442 C THR A 29 11.055 -3.969 -3.506 1.00 0.00 C ATOM 443 O THR A 29 9.905 -4.358 -3.305 1.00 0.00 O ATOM 444 CB THR A 29 11.875 -6.139 -4.455 1.00 0.00 C ATOM 445 OG1 THR A 29 13.012 -6.972 -4.632 1.00 0.00 O ATOM 446 CG2 THR A 29 11.377 -5.719 -5.827 1.00 0.00 C ATOM 0 H THR A 29 11.945 -6.189 -1.869 1.00 0.00 H new ATOM 0 HA THR A 29 13.096 -4.450 -3.949 1.00 0.00 H new ATOM 0 HB THR A 29 11.070 -6.675 -3.952 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.778 -7.726 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.153 -6.606 -6.420 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.475 -5.117 -5.718 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.146 -5.132 -6.329 1.00 0.00 H new ATOM 454 N CYS A 30 11.369 -2.692 -3.683 1.00 0.00 N ATOM 455 CA CYS A 30 10.358 -1.646 -3.650 1.00 0.00 C ATOM 456 C CYS A 30 10.006 -1.148 -5.048 1.00 0.00 C ATOM 457 O CYS A 30 10.805 -0.476 -5.698 1.00 0.00 O ATOM 458 CB CYS A 30 10.847 -0.479 -2.795 1.00 0.00 C ATOM 459 SG CYS A 30 9.603 0.799 -2.502 1.00 0.00 S ATOM 0 H CYS A 30 12.317 -2.357 -3.851 1.00 0.00 H new ATOM 0 HA CYS A 30 9.456 -2.074 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.188 -0.865 -1.834 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.711 -0.025 -3.281 1.00 0.00 H new ATOM 0 HG CYS A 30 9.822 1.362 -1.351 1.00 0.00 H new ATOM 465 N THR A 31 8.794 -1.466 -5.491 1.00 0.00 N ATOM 466 CA THR A 31 8.320 -1.031 -6.799 1.00 0.00 C ATOM 467 C THR A 31 7.109 -0.124 -6.600 1.00 0.00 C ATOM 468 O THR A 31 6.419 -0.230 -5.586 1.00 0.00 O ATOM 469 CB THR A 31 7.952 -2.240 -7.676 1.00 0.00 C ATOM 470 OG1 THR A 31 7.970 -1.883 -9.046 1.00 0.00 O ATOM 471 CG2 THR A 31 6.577 -2.802 -7.392 1.00 0.00 C ATOM 0 H THR A 31 8.122 -2.023 -4.963 1.00 0.00 H new ATOM 0 HA THR A 31 9.111 -0.483 -7.311 1.00 0.00 H new ATOM 0 HB THR A 31 8.699 -2.997 -7.438 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.735 -2.663 -9.591 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.388 -3.651 -8.048 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.524 -3.128 -6.353 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.826 -2.033 -7.569 1.00 0.00 H new ATOM 479 N THR A 32 6.847 0.773 -7.544 1.00 0.00 N ATOM 480 CA THR A 32 5.712 1.675 -7.405 1.00 0.00 C ATOM 481 C THR A 32 4.788 1.623 -8.615 1.00 0.00 C ATOM 482 O THR A 32 5.134 1.073 -9.661 1.00 0.00 O ATOM 483 CB THR A 32 6.184 3.101 -7.151 1.00 0.00 C ATOM 484 OG1 THR A 32 6.772 3.645 -8.314 1.00 0.00 O ATOM 485 CG2 THR A 32 7.196 3.186 -6.031 1.00 0.00 C ATOM 0 H THR A 32 7.393 0.894 -8.397 1.00 0.00 H new ATOM 0 HA THR A 32 5.137 1.338 -6.543 1.00 0.00 H new ATOM 0 HB THR A 32 5.297 3.666 -6.866 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.581 3.064 -9.080 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.499 4.224 -5.892 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.751 2.811 -5.109 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.069 2.584 -6.283 1.00 0.00 H new ATOM 493 N PHE A 33 3.598 2.178 -8.437 1.00 0.00 N ATOM 494 CA PHE A 33 2.577 2.186 -9.473 1.00 0.00 C ATOM 495 C PHE A 33 1.908 3.565 -9.571 1.00 0.00 C ATOM 496 O PHE A 33 2.233 4.472 -8.805 1.00 0.00 O ATOM 497 CB PHE A 33 1.568 1.075 -9.206 1.00 0.00 C ATOM 498 CG PHE A 33 2.191 -0.292 -9.148 1.00 0.00 C ATOM 499 CD1 PHE A 33 2.994 -0.639 -8.077 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.980 -1.229 -10.149 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.574 -1.888 -7.998 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.557 -2.482 -10.076 1.00 0.00 C ATOM 503 CZ PHE A 33 3.355 -2.813 -9.000 1.00 0.00 C ATOM 0 H PHE A 33 3.314 2.635 -7.571 1.00 0.00 H new ATOM 0 HA PHE A 33 3.042 1.994 -10.440 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.059 1.275 -8.263 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.808 1.088 -9.988 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.170 0.079 -7.290 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.358 -0.976 -10.995 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.198 -2.142 -7.154 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.383 -3.203 -10.861 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.807 -3.792 -8.942 1.00 0.00 H new ATOM 513 N GLU A 34 1.029 3.736 -10.555 1.00 0.00 N ATOM 514 CA GLU A 34 0.377 5.025 -10.799 1.00 0.00 C ATOM 515 C GLU A 34 -0.462 5.533 -9.621 1.00 0.00 C ATOM 516 O GLU A 34 -0.330 6.694 -9.237 1.00 0.00 O ATOM 517 CB GLU A 34 -0.512 4.925 -12.038 1.00 0.00 C ATOM 518 CG GLU A 34 -1.540 3.809 -11.957 1.00 0.00 C ATOM 519 CD GLU A 34 -2.899 4.287 -11.485 1.00 0.00 C ATOM 520 OE1 GLU A 34 -3.256 5.447 -11.778 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.608 3.497 -10.825 1.00 0.00 O ATOM 0 H GLU A 34 0.749 2.997 -11.200 1.00 0.00 H new ATOM 0 HA GLU A 34 1.181 5.746 -10.945 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.028 5.874 -12.183 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.116 4.767 -12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.645 3.347 -12.939 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.177 3.037 -11.279 1.00 0.00 H new ATOM 528 N ASN A 35 -1.333 4.700 -9.055 1.00 0.00 N ATOM 529 CA ASN A 35 -2.167 5.154 -7.938 1.00 0.00 C ATOM 530 C ASN A 35 -2.836 4.005 -7.195 1.00 0.00 C ATOM 531 O ASN A 35 -3.095 4.099 -5.995 1.00 0.00 O ATOM 532 CB ASN A 35 -3.229 6.133 -8.440 1.00 0.00 C ATOM 533 CG ASN A 35 -2.842 7.577 -8.196 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.129 7.888 -7.240 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.312 8.470 -9.059 1.00 0.00 N ATOM 0 H ASN A 35 -1.480 3.732 -9.340 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.504 5.652 -7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.388 5.977 -9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.176 5.924 -7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.086 9.458 -8.944 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.899 8.168 -9.836 1.00 0.00 H new ATOM 542 N GLY A 36 -3.104 2.923 -7.904 1.00 0.00 N ATOM 543 CA GLY A 36 -3.731 1.775 -7.284 1.00 0.00 C ATOM 544 C GLY A 36 -4.065 0.691 -8.282 1.00 0.00 C ATOM 545 O GLY A 36 -3.623 -0.449 -8.142 1.00 0.00 O ATOM 0 H GLY A 36 -2.899 2.817 -8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.067 1.370 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.643 2.092 -6.777 1.00 0.00 H new ATOM 549 N ASN A 37 -4.845 1.049 -9.293 1.00 0.00 N ATOM 550 CA ASN A 37 -5.243 0.100 -10.323 1.00 0.00 C ATOM 551 C ASN A 37 -4.030 -0.560 -10.965 1.00 0.00 C ATOM 552 O ASN A 37 -4.097 -1.710 -11.399 1.00 0.00 O ATOM 553 CB ASN A 37 -6.092 0.791 -11.389 1.00 0.00 C ATOM 554 CG ASN A 37 -7.239 -0.081 -11.862 1.00 0.00 C ATOM 555 OD1 ASN A 37 -7.364 -0.370 -13.052 1.00 0.00 O ATOM 556 ND2 ASN A 37 -8.086 -0.506 -10.928 1.00 0.00 N ATOM 0 H ASN A 37 -5.215 1.991 -9.422 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.839 -0.678 -9.846 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.489 1.723 -10.987 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.462 1.053 -12.239 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.877 -1.096 -11.187 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.944 -0.242 -9.953 1.00 0.00 H new ATOM 563 N GLU A 38 -2.917 0.166 -11.021 1.00 0.00 N ATOM 564 CA GLU A 38 -1.702 -0.375 -11.611 1.00 0.00 C ATOM 565 C GLU A 38 -1.247 -1.625 -10.860 1.00 0.00 C ATOM 566 O GLU A 38 -1.093 -2.685 -11.466 1.00 0.00 O ATOM 567 CB GLU A 38 -0.593 0.673 -11.633 1.00 0.00 C ATOM 568 CG GLU A 38 -0.202 1.126 -13.031 1.00 0.00 C ATOM 569 CD GLU A 38 1.039 0.419 -13.543 1.00 0.00 C ATOM 570 OE1 GLU A 38 2.155 0.813 -13.142 1.00 0.00 O ATOM 571 OE2 GLU A 38 0.895 -0.529 -14.344 1.00 0.00 O ATOM 0 H GLU A 38 -2.833 1.120 -10.669 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.923 -0.655 -12.641 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.915 1.541 -11.057 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.287 0.267 -11.134 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.030 0.941 -13.715 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.028 2.202 -13.026 1.00 0.00 H new ATOM 578 N VAL A 39 -1.044 -1.520 -9.537 1.00 0.00 N ATOM 579 CA VAL A 39 -0.623 -2.693 -8.763 1.00 0.00 C ATOM 580 C VAL A 39 -1.542 -3.868 -9.054 1.00 0.00 C ATOM 581 O VAL A 39 -1.089 -4.991 -9.261 1.00 0.00 O ATOM 582 CB VAL A 39 -0.641 -2.468 -7.238 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.129 -3.577 -6.543 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.077 -1.117 -6.855 1.00 0.00 C ATOM 0 H VAL A 39 -1.161 -0.663 -8.997 1.00 0.00 H new ATOM 0 HA VAL A 39 0.404 -2.889 -9.070 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.681 -2.487 -6.913 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.112 -3.412 -5.466 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.333 -4.538 -6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.161 -3.578 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.110 -1.003 -5.771 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.956 -1.044 -7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.670 -0.330 -7.321 1.00 0.00 H new ATOM 594 N LEU A 40 -2.838 -3.592 -9.061 1.00 0.00 N ATOM 595 CA LEU A 40 -3.846 -4.611 -9.317 1.00 0.00 C ATOM 596 C LEU A 40 -3.546 -5.375 -10.605 1.00 0.00 C ATOM 597 O LEU A 40 -3.668 -6.599 -10.654 1.00 0.00 O ATOM 598 CB LEU A 40 -5.230 -3.965 -9.402 1.00 0.00 C ATOM 599 CG LEU A 40 -5.570 -3.004 -8.261 1.00 0.00 C ATOM 600 CD1 LEU A 40 -6.993 -2.489 -8.401 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.383 -3.688 -6.916 1.00 0.00 C ATOM 0 H LEU A 40 -3.219 -2.661 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.828 -5.322 -8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.304 -3.424 -10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.981 -4.754 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.890 -2.154 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.216 -1.807 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.097 -1.962 -9.349 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.688 -3.328 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.629 -2.990 -6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.039 -4.556 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.346 -4.009 -6.812 1.00 0.00 H new ATOM 613 N ALA A 41 -3.154 -4.646 -11.644 1.00 0.00 N ATOM 614 CA ALA A 41 -2.837 -5.254 -12.930 1.00 0.00 C ATOM 615 C ALA A 41 -1.639 -6.183 -12.825 1.00 0.00 C ATOM 616 O ALA A 41 -1.686 -7.335 -13.255 1.00 0.00 O ATOM 617 CB ALA A 41 -2.581 -4.177 -13.973 1.00 0.00 C ATOM 0 H ALA A 41 -3.048 -3.632 -11.620 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.695 -5.851 -13.239 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.345 -4.645 -14.929 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.471 -3.557 -14.082 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.743 -3.556 -13.657 1.00 0.00 H new ATOM 623 N ALA A 42 -0.569 -5.669 -12.245 1.00 0.00 N ATOM 624 CA ALA A 42 0.654 -6.436 -12.070 1.00 0.00 C ATOM 625 C ALA A 42 0.463 -7.525 -11.024 1.00 0.00 C ATOM 626 O ALA A 42 1.104 -8.576 -11.075 1.00 0.00 O ATOM 627 CB ALA A 42 1.801 -5.515 -11.671 1.00 0.00 C ATOM 0 H ALA A 42 -0.522 -4.716 -11.884 1.00 0.00 H new ATOM 0 HA ALA A 42 0.899 -6.913 -13.019 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.711 -6.101 -11.543 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.957 -4.769 -12.450 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.557 -5.015 -10.734 1.00 0.00 H new ATOM 633 N LEU A 43 -0.422 -7.259 -10.074 1.00 0.00 N ATOM 634 CA LEU A 43 -0.707 -8.198 -9.002 1.00 0.00 C ATOM 635 C LEU A 43 -1.327 -9.483 -9.527 1.00 0.00 C ATOM 636 O LEU A 43 -1.214 -10.538 -8.902 1.00 0.00 O ATOM 637 CB LEU A 43 -1.628 -7.549 -7.975 1.00 0.00 C ATOM 638 CG LEU A 43 -0.898 -6.892 -6.811 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.784 -5.870 -6.129 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.448 -7.952 -5.823 1.00 0.00 C ATOM 0 H LEU A 43 -0.958 -6.393 -10.025 1.00 0.00 H new ATOM 0 HA LEU A 43 0.239 -8.461 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.241 -6.799 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.307 -8.306 -7.583 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.021 -6.372 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.242 -5.414 -5.301 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.068 -5.099 -6.845 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.680 -6.361 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.074 -7.477 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.318 -8.490 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.224 -8.652 -6.321 1.00 0.00 H new ATOM 652 N ALA A 44 -1.980 -9.396 -10.675 1.00 0.00 N ATOM 653 CA ALA A 44 -2.611 -10.562 -11.277 1.00 0.00 C ATOM 654 C ALA A 44 -1.588 -11.665 -11.548 1.00 0.00 C ATOM 655 O ALA A 44 -1.952 -12.824 -11.740 1.00 0.00 O ATOM 656 CB ALA A 44 -3.323 -10.174 -12.565 1.00 0.00 C ATOM 0 H ALA A 44 -2.087 -8.533 -11.208 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.346 -10.949 -10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.790 -11.056 -13.003 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.088 -9.429 -12.347 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.602 -9.758 -13.268 1.00 0.00 H new ATOM 662 N SER A 45 -0.310 -11.294 -11.569 1.00 0.00 N ATOM 663 CA SER A 45 0.754 -12.250 -11.825 1.00 0.00 C ATOM 664 C SER A 45 1.801 -12.261 -10.708 1.00 0.00 C ATOM 665 O SER A 45 2.801 -12.972 -10.802 1.00 0.00 O ATOM 666 CB SER A 45 1.423 -11.941 -13.164 1.00 0.00 C ATOM 667 OG SER A 45 2.506 -12.820 -13.408 1.00 0.00 O ATOM 0 H SER A 45 0.009 -10.338 -11.412 1.00 0.00 H new ATOM 0 HA SER A 45 0.302 -13.241 -11.859 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.692 -12.028 -13.968 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.779 -10.911 -13.167 1.00 0.00 H new ATOM 0 HG SER A 45 2.793 -13.228 -12.564 1.00 0.00 H new ATOM 673 N LYS A 46 1.577 -11.478 -9.652 1.00 0.00 N ATOM 674 CA LYS A 46 2.519 -11.425 -8.539 1.00 0.00 C ATOM 675 C LYS A 46 1.878 -10.818 -7.291 1.00 0.00 C ATOM 676 O LYS A 46 0.876 -10.111 -7.375 1.00 0.00 O ATOM 677 CB LYS A 46 3.761 -10.622 -8.929 1.00 0.00 C ATOM 678 CG LYS A 46 5.065 -11.239 -8.444 1.00 0.00 C ATOM 679 CD LYS A 46 5.958 -10.206 -7.776 1.00 0.00 C ATOM 680 CE LYS A 46 7.157 -10.855 -7.100 1.00 0.00 C ATOM 681 NZ LYS A 46 8.314 -10.997 -8.026 1.00 0.00 N ATOM 0 H LYS A 46 0.759 -10.878 -9.546 1.00 0.00 H new ATOM 0 HA LYS A 46 2.811 -12.449 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.796 -10.527 -10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.673 -9.614 -8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.848 -12.043 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.592 -11.686 -9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.304 -9.488 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.381 -9.648 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.454 -10.257 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.872 -11.837 -6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.108 -11.443 -7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.040 -11.589 -8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.604 -10.058 -8.366 1.00 0.00 H new ATOM 695 N THR A 47 2.466 -11.107 -6.134 1.00 0.00 N ATOM 696 CA THR A 47 1.963 -10.599 -4.866 1.00 0.00 C ATOM 697 C THR A 47 3.104 -10.149 -3.951 1.00 0.00 C ATOM 698 O THR A 47 3.905 -10.969 -3.506 1.00 0.00 O ATOM 699 CB THR A 47 1.130 -11.668 -4.155 1.00 0.00 C ATOM 700 OG1 THR A 47 0.010 -12.039 -4.938 1.00 0.00 O ATOM 701 CG2 THR A 47 0.619 -11.228 -2.796 1.00 0.00 C ATOM 0 H THR A 47 3.296 -11.694 -6.051 1.00 0.00 H new ATOM 0 HA THR A 47 1.336 -9.735 -5.086 1.00 0.00 H new ATOM 0 HB THR A 47 1.807 -12.511 -4.014 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.507 -12.724 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.037 -12.033 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.463 -10.988 -2.150 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.011 -10.346 -2.912 1.00 0.00 H new ATOM 709 N PRO A 48 3.182 -8.844 -3.631 1.00 0.00 N ATOM 710 CA PRO A 48 4.216 -8.313 -2.740 1.00 0.00 C ATOM 711 C PRO A 48 3.946 -8.690 -1.291 1.00 0.00 C ATOM 712 O PRO A 48 2.847 -9.126 -0.952 1.00 0.00 O ATOM 713 CB PRO A 48 4.094 -6.800 -2.925 1.00 0.00 C ATOM 714 CG PRO A 48 2.662 -6.592 -3.268 1.00 0.00 C ATOM 715 CD PRO A 48 2.262 -7.786 -4.087 1.00 0.00 C ATOM 0 HA PRO A 48 5.208 -8.703 -2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.368 -6.264 -2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.750 -6.441 -3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.052 -6.512 -2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.524 -5.668 -3.830 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.221 -8.059 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.370 -7.594 -5.155 1.00 0.00 H new ATOM 723 N ASP A 49 4.943 -8.526 -0.435 1.00 0.00 N ATOM 724 CA ASP A 49 4.784 -8.854 0.973 1.00 0.00 C ATOM 725 C ASP A 49 3.985 -7.772 1.692 1.00 0.00 C ATOM 726 O ASP A 49 3.303 -8.047 2.680 1.00 0.00 O ATOM 727 CB ASP A 49 6.148 -9.028 1.643 1.00 0.00 C ATOM 728 CG ASP A 49 6.599 -10.476 1.672 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.793 -11.341 2.073 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.760 -10.742 1.294 1.00 0.00 O ATOM 0 H ASP A 49 5.865 -8.170 -0.688 1.00 0.00 H new ATOM 0 HA ASP A 49 4.237 -9.795 1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.889 -8.430 1.112 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.100 -8.645 2.662 1.00 0.00 H new ATOM 735 N VAL A 50 4.083 -6.536 1.202 1.00 0.00 N ATOM 736 CA VAL A 50 3.381 -5.417 1.817 1.00 0.00 C ATOM 737 C VAL A 50 2.975 -4.355 0.786 1.00 0.00 C ATOM 738 O VAL A 50 3.823 -3.624 0.273 1.00 0.00 O ATOM 739 CB VAL A 50 4.268 -4.759 2.887 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.554 -4.250 2.258 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.526 -3.640 3.593 1.00 0.00 C ATOM 0 H VAL A 50 4.640 -6.288 0.384 1.00 0.00 H new ATOM 0 HA VAL A 50 2.475 -5.818 2.271 1.00 0.00 H new ATOM 0 HB VAL A 50 4.523 -5.509 3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.175 -3.786 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.094 -5.083 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.317 -3.515 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.175 -3.191 4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.234 -2.882 2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.635 -4.042 4.076 1.00 0.00 H new ATOM 751 N LEU A 51 1.678 -4.263 0.495 1.00 0.00 N ATOM 752 CA LEU A 51 1.179 -3.274 -0.462 1.00 0.00 C ATOM 753 C LEU A 51 0.889 -1.937 0.223 1.00 0.00 C ATOM 754 O LEU A 51 0.318 -1.896 1.314 1.00 0.00 O ATOM 755 CB LEU A 51 -0.080 -3.792 -1.174 1.00 0.00 C ATOM 756 CG LEU A 51 -0.513 -2.987 -2.407 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.665 -2.785 -3.349 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.675 -3.671 -3.135 1.00 0.00 C ATOM 0 H LEU A 51 0.957 -4.857 0.905 1.00 0.00 H new ATOM 0 HA LEU A 51 1.959 -3.112 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.093 -4.825 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.903 -3.803 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.860 -2.011 -2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.342 -2.213 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.456 -2.243 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.042 -3.755 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.960 -3.078 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.366 -4.665 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.527 -3.758 -2.460 1.00 0.00 H new ATOM 770 N LEU A 52 1.290 -0.849 -0.431 1.00 0.00 N ATOM 771 CA LEU A 52 1.082 0.500 0.097 1.00 0.00 C ATOM 772 C LEU A 52 0.317 1.350 -0.919 1.00 0.00 C ATOM 773 O LEU A 52 0.743 1.480 -2.065 1.00 0.00 O ATOM 774 CB LEU A 52 2.435 1.153 0.404 1.00 0.00 C ATOM 775 CG LEU A 52 2.429 2.205 1.515 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.826 2.778 1.722 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.443 3.314 1.189 1.00 0.00 C ATOM 0 H LEU A 52 1.764 -0.875 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 52 0.498 0.433 1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.142 0.369 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.808 1.618 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 52 2.116 1.723 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.799 3.524 2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.510 1.977 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.169 3.244 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.451 4.054 1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.728 3.790 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.442 2.894 1.093 1.00 0.00 H new ATOM 789 N SER A 53 -0.815 1.918 -0.503 1.00 0.00 N ATOM 790 CA SER A 53 -1.632 2.738 -1.397 1.00 0.00 C ATOM 791 C SER A 53 -1.607 4.212 -1.003 1.00 0.00 C ATOM 792 O SER A 53 -1.706 4.557 0.178 1.00 0.00 O ATOM 793 CB SER A 53 -3.073 2.231 -1.396 1.00 0.00 C ATOM 794 OG SER A 53 -3.145 0.898 -1.872 1.00 0.00 O ATOM 0 H SER A 53 -1.186 1.826 0.443 1.00 0.00 H new ATOM 0 HA SER A 53 -1.208 2.654 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.479 2.282 -0.386 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.690 2.877 -2.021 1.00 0.00 H new ATOM 0 HG SER A 53 -2.954 0.883 -2.833 1.00 0.00 H new ATOM 800 N ASP A 54 -1.475 5.077 -2.007 1.00 0.00 N ATOM 801 CA ASP A 54 -1.434 6.520 -1.777 1.00 0.00 C ATOM 802 C ASP A 54 -2.832 7.124 -1.645 1.00 0.00 C ATOM 803 O ASP A 54 -2.973 8.271 -1.224 1.00 0.00 O ATOM 804 CB ASP A 54 -0.676 7.218 -2.905 1.00 0.00 C ATOM 805 CG ASP A 54 -0.535 8.708 -2.664 1.00 0.00 C ATOM 806 OD1 ASP A 54 -0.049 9.090 -1.579 1.00 0.00 O ATOM 807 OD2 ASP A 54 -0.911 9.493 -3.560 1.00 0.00 O ATOM 0 H ASP A 54 -1.395 4.804 -2.987 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.913 6.678 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.314 6.773 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.197 7.052 -3.848 1.00 0.00 H new ATOM 812 N ILE A 55 -3.866 6.363 -2.009 1.00 0.00 N ATOM 813 CA ILE A 55 -5.246 6.848 -1.924 1.00 0.00 C ATOM 814 C ILE A 55 -5.363 8.296 -2.409 1.00 0.00 C ATOM 815 O ILE A 55 -5.594 9.208 -1.616 1.00 0.00 O ATOM 816 CB ILE A 55 -5.785 6.735 -0.477 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.194 7.315 -0.359 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.865 7.432 0.508 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.993 6.719 0.777 1.00 0.00 C ATOM 0 H ILE A 55 -3.775 5.411 -2.364 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.849 6.217 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.823 5.673 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.125 8.394 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.727 7.149 -1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.270 7.335 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.876 6.974 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.787 8.488 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.983 7.175 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.093 5.644 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.481 6.908 1.720 1.00 0.00 H new ATOM 831 N ARG A 56 -5.192 8.503 -3.714 1.00 0.00 N ATOM 832 CA ARG A 56 -5.267 9.845 -4.285 1.00 0.00 C ATOM 833 C ARG A 56 -6.491 10.022 -5.189 1.00 0.00 C ATOM 834 O ARG A 56 -6.394 10.599 -6.273 1.00 0.00 O ATOM 835 CB ARG A 56 -3.991 10.161 -5.072 1.00 0.00 C ATOM 836 CG ARG A 56 -3.715 11.651 -5.193 1.00 0.00 C ATOM 837 CD ARG A 56 -2.265 11.925 -5.549 1.00 0.00 C ATOM 838 NE ARG A 56 -1.769 13.137 -4.901 1.00 0.00 N ATOM 839 CZ ARG A 56 -0.936 14.005 -5.473 1.00 0.00 C ATOM 840 NH1 ARG A 56 -0.487 13.797 -6.706 1.00 0.00 N ATOM 841 NH2 ARG A 56 -0.550 15.084 -4.808 1.00 0.00 N ATOM 0 H ARG A 56 -5.002 7.764 -4.391 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.366 10.542 -3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.143 9.679 -4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.072 9.731 -6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.365 12.081 -5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.958 12.144 -4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.650 11.076 -5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.168 12.025 -6.630 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.081 13.331 -3.949 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.780 12.967 -7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.151 14.467 -7.136 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.891 15.248 -3.861 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.088 15.750 -5.243 1.00 0.00 H new ATOM 855 N MET A 57 -7.643 9.549 -4.726 1.00 0.00 N ATOM 856 CA MET A 57 -8.892 9.681 -5.481 1.00 0.00 C ATOM 857 C MET A 57 -8.834 9.005 -6.856 1.00 0.00 C ATOM 858 O MET A 57 -9.282 9.572 -7.853 1.00 0.00 O ATOM 859 CB MET A 57 -9.250 11.162 -5.639 1.00 0.00 C ATOM 860 CG MET A 57 -10.611 11.524 -5.066 1.00 0.00 C ATOM 861 SD MET A 57 -11.973 10.856 -6.042 1.00 0.00 S ATOM 862 CE MET A 57 -12.255 12.201 -7.188 1.00 0.00 C ATOM 0 H MET A 57 -7.742 9.070 -3.831 1.00 0.00 H new ATOM 0 HA MET A 57 -9.665 9.167 -4.910 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.486 11.766 -5.149 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.230 11.421 -6.698 1.00 0.00 H new ATOM 0 HG2 MET A 57 -10.683 11.150 -4.045 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.703 12.609 -5.015 1.00 0.00 H new ATOM 0 HE1 MET A 57 -13.071 11.940 -7.862 1.00 0.00 H new ATOM 0 HE2 MET A 57 -12.516 13.103 -6.634 1.00 0.00 H new ATOM 0 HE3 MET A 57 -11.350 12.381 -7.768 1.00 0.00 H new ATOM 872 N PRO A 58 -8.299 7.775 -6.931 1.00 0.00 N ATOM 873 CA PRO A 58 -8.214 7.025 -8.191 1.00 0.00 C ATOM 874 C PRO A 58 -9.594 6.665 -8.750 1.00 0.00 C ATOM 875 O PRO A 58 -10.066 7.281 -9.706 1.00 0.00 O ATOM 876 CB PRO A 58 -7.444 5.757 -7.804 1.00 0.00 C ATOM 877 CG PRO A 58 -7.647 5.621 -6.334 1.00 0.00 C ATOM 878 CD PRO A 58 -7.755 7.017 -5.797 1.00 0.00 C ATOM 0 HA PRO A 58 -7.733 7.607 -8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.823 4.886 -8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.386 5.846 -8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.549 5.049 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.814 5.090 -5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.413 7.064 -4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -6.785 7.403 -5.483 1.00 0.00 H new ATOM 886 N GLY A 59 -10.239 5.668 -8.144 1.00 0.00 N ATOM 887 CA GLY A 59 -11.557 5.249 -8.586 1.00 0.00 C ATOM 888 C GLY A 59 -12.627 5.560 -7.560 1.00 0.00 C ATOM 889 O GLY A 59 -13.792 5.763 -7.899 1.00 0.00 O ATOM 0 H GLY A 59 -9.869 5.143 -7.352 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.800 5.747 -9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.548 4.178 -8.787 1.00 0.00 H new ATOM 893 N MET A 60 -12.220 5.599 -6.296 1.00 0.00 N ATOM 894 CA MET A 60 -13.128 5.893 -5.200 1.00 0.00 C ATOM 895 C MET A 60 -12.349 6.442 -4.013 1.00 0.00 C ATOM 896 O MET A 60 -12.213 5.778 -2.979 1.00 0.00 O ATOM 897 CB MET A 60 -13.915 4.645 -4.785 1.00 0.00 C ATOM 898 CG MET A 60 -15.210 4.960 -4.054 1.00 0.00 C ATOM 899 SD MET A 60 -16.472 5.649 -5.144 1.00 0.00 S ATOM 900 CE MET A 60 -16.694 7.272 -4.421 1.00 0.00 C ATOM 0 H MET A 60 -11.257 5.428 -6.006 1.00 0.00 H new ATOM 0 HA MET A 60 -13.841 6.644 -5.539 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.143 4.057 -5.674 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.287 4.025 -4.145 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.592 4.050 -3.591 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.006 5.666 -3.249 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.446 7.822 -4.986 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.021 7.168 -3.387 1.00 0.00 H new ATOM 0 HE3 MET A 60 -15.750 7.815 -4.450 1.00 0.00 H new ATOM 910 N ASP A 61 -11.818 7.651 -4.190 1.00 0.00 N ATOM 911 CA ASP A 61 -11.033 8.330 -3.160 1.00 0.00 C ATOM 912 C ASP A 61 -9.689 7.649 -2.927 1.00 0.00 C ATOM 913 O ASP A 61 -8.734 8.284 -2.489 1.00 0.00 O ATOM 914 CB ASP A 61 -11.812 8.392 -1.849 1.00 0.00 C ATOM 915 CG ASP A 61 -11.951 9.809 -1.325 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.995 10.598 -1.484 1.00 0.00 O ATOM 917 OD2 ASP A 61 -13.014 10.131 -0.758 1.00 0.00 O ATOM 0 H ASP A 61 -11.920 8.187 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.840 9.342 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.803 7.964 -1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.309 7.779 -1.101 1.00 0.00 H new ATOM 922 N GLY A 62 -9.631 6.356 -3.210 1.00 0.00 N ATOM 923 CA GLY A 62 -8.419 5.593 -3.012 1.00 0.00 C ATOM 924 C GLY A 62 -8.729 4.237 -2.441 1.00 0.00 C ATOM 925 O GLY A 62 -7.987 3.286 -2.647 1.00 0.00 O ATOM 0 H GLY A 62 -10.415 5.817 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.895 5.482 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.751 6.131 -2.340 1.00 0.00 H new ATOM 929 N LEU A 63 -9.851 4.142 -1.736 1.00 0.00 N ATOM 930 CA LEU A 63 -10.269 2.879 -1.168 1.00 0.00 C ATOM 931 C LEU A 63 -10.799 1.979 -2.270 1.00 0.00 C ATOM 932 O LEU A 63 -10.929 0.769 -2.092 1.00 0.00 O ATOM 933 CB LEU A 63 -11.322 3.080 -0.085 1.00 0.00 C ATOM 934 CG LEU A 63 -10.958 4.121 0.970 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.476 5.488 0.569 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.491 3.711 2.331 1.00 0.00 C ATOM 0 H LEU A 63 -10.480 4.923 -1.548 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.406 2.405 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.259 3.374 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.501 2.126 0.411 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.872 4.180 1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.207 6.217 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.033 5.780 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.561 5.451 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.221 4.466 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.576 3.620 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.059 2.752 2.617 1.00 0.00 H new ATOM 948 N ALA A 64 -11.079 2.573 -3.427 1.00 0.00 N ATOM 949 CA ALA A 64 -11.559 1.806 -4.564 1.00 0.00 C ATOM 950 C ALA A 64 -10.601 0.659 -4.855 1.00 0.00 C ATOM 951 O ALA A 64 -11.021 -0.478 -5.071 1.00 0.00 O ATOM 952 CB ALA A 64 -11.682 2.701 -5.781 1.00 0.00 C ATOM 0 H ALA A 64 -10.982 3.574 -3.598 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.542 1.398 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.042 2.117 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.385 3.507 -5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.707 3.124 -6.021 1.00 0.00 H new ATOM 958 N LEU A 65 -9.304 0.969 -4.840 1.00 0.00 N ATOM 959 CA LEU A 65 -8.281 -0.036 -5.087 1.00 0.00 C ATOM 960 C LEU A 65 -8.393 -1.164 -4.071 1.00 0.00 C ATOM 961 O LEU A 65 -8.192 -2.328 -4.406 1.00 0.00 O ATOM 962 CB LEU A 65 -6.875 0.580 -5.051 1.00 0.00 C ATOM 963 CG LEU A 65 -6.493 1.293 -3.751 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.825 0.333 -2.778 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.575 2.477 -4.040 1.00 0.00 C ATOM 0 H LEU A 65 -8.942 1.906 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.442 -0.443 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.148 -0.210 -5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.789 1.292 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.408 1.664 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.564 0.865 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.510 -0.481 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.921 -0.074 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.314 2.972 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.667 2.123 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.087 3.183 -4.693 1.00 0.00 H new ATOM 977 N LEU A 66 -8.735 -0.814 -2.831 1.00 0.00 N ATOM 978 CA LEU A 66 -8.889 -1.806 -1.773 1.00 0.00 C ATOM 979 C LEU A 66 -9.895 -2.872 -2.187 1.00 0.00 C ATOM 980 O LEU A 66 -9.633 -4.068 -2.075 1.00 0.00 O ATOM 981 CB LEU A 66 -9.327 -1.134 -0.473 1.00 0.00 C ATOM 982 CG LEU A 66 -8.182 -0.616 0.396 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.717 0.181 1.574 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.317 -1.769 0.873 1.00 0.00 C ATOM 0 H LEU A 66 -8.910 0.147 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.925 -2.287 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.987 -0.301 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.913 -1.846 0.108 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.565 0.050 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.884 0.540 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.292 1.031 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.359 -0.456 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.506 -1.384 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.923 -2.460 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.901 -2.292 0.012 1.00 0.00 H new ATOM 996 N LYS A 67 -11.042 -2.428 -2.676 1.00 0.00 N ATOM 997 CA LYS A 67 -12.087 -3.344 -3.125 1.00 0.00 C ATOM 998 C LYS A 67 -11.534 -4.351 -4.137 1.00 0.00 C ATOM 999 O LYS A 67 -11.822 -5.545 -4.066 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.243 -2.567 -3.748 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.591 -3.248 -3.577 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.168 -2.991 -2.194 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.586 -3.528 -2.070 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.405 -2.724 -1.120 1.00 0.00 N ATOM 0 H LYS A 67 -11.276 -1.440 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.451 -3.891 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.287 -1.574 -3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.047 -2.429 -4.811 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.284 -2.884 -4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.481 -4.321 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.534 -3.460 -1.442 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.165 -1.920 -1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.062 -3.526 -3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.553 -4.564 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.364 -3.123 -1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.966 -2.746 -0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.458 -1.740 -1.454 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.734 -3.861 -5.081 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.143 -4.721 -6.100 1.00 0.00 C ATOM 1020 C GLN A 68 -9.137 -5.684 -5.476 1.00 0.00 C ATOM 1021 O GLN A 68 -8.898 -6.774 -5.995 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.445 -3.887 -7.176 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.288 -2.743 -7.713 1.00 0.00 C ATOM 1024 CD GLN A 68 -11.503 -3.222 -8.483 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -12.461 -3.728 -7.901 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -11.470 -3.061 -9.802 1.00 0.00 N ATOM 0 H GLN A 68 -10.481 -2.876 -5.161 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.949 -5.293 -6.559 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.521 -3.482 -6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.167 -4.540 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.613 -2.116 -6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.674 -2.119 -8.363 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.655 -2.636 -10.244 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.260 -3.362 -10.372 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.544 -5.263 -4.364 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.552 -6.066 -3.658 1.00 0.00 C ATOM 1037 C ILE A 69 -8.161 -7.348 -3.106 1.00 0.00 C ATOM 1038 O ILE A 69 -7.529 -8.404 -3.119 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.920 -5.245 -2.514 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.192 -4.029 -3.092 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.978 -6.094 -1.670 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.720 -3.051 -2.050 1.00 0.00 C ATOM 0 H ILE A 69 -8.736 -4.361 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.778 -6.344 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.718 -4.901 -1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.334 -4.372 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.858 -3.514 -3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.552 -5.483 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.531 -6.925 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.176 -6.482 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.214 -2.217 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.576 -2.678 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.028 -3.549 -1.371 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.386 -7.246 -2.624 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.085 -8.397 -2.066 1.00 0.00 C ATOM 1056 C LYS A 70 -10.565 -9.329 -3.170 1.00 0.00 C ATOM 1057 O LYS A 70 -10.681 -10.539 -2.971 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.265 -7.942 -1.200 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.419 -7.337 -1.981 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.709 -7.355 -1.174 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.760 -8.251 -1.809 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.843 -8.606 -0.850 1.00 0.00 N ATOM 0 H LYS A 70 -9.921 -6.378 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.384 -8.946 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.634 -8.796 -0.633 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.908 -7.209 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.175 -6.311 -2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.561 -7.891 -2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.500 -7.701 -0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.099 -6.341 -1.090 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.192 -7.747 -2.673 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.287 -9.162 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.539 -9.218 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.435 -9.110 -0.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.312 -7.739 -0.520 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.844 -8.754 -4.327 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.313 -9.520 -5.468 1.00 0.00 C ATOM 1078 C GLN A 71 -10.135 -10.080 -6.265 1.00 0.00 C ATOM 1079 O GLN A 71 -10.235 -11.141 -6.882 1.00 0.00 O ATOM 1080 CB GLN A 71 -12.220 -8.635 -6.344 1.00 0.00 C ATOM 1081 CG GLN A 71 -12.320 -9.061 -7.806 1.00 0.00 C ATOM 1082 CD GLN A 71 -11.764 -8.018 -8.761 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -12.279 -7.836 -9.866 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -10.708 -7.325 -8.344 1.00 0.00 N ATOM 0 H GLN A 71 -10.753 -7.753 -4.501 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.897 -10.371 -5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.221 -8.629 -5.914 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.850 -7.610 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.781 -9.998 -7.945 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.364 -9.254 -8.053 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.311 -7.506 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.295 -6.613 -8.946 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.026 -9.356 -6.250 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.828 -9.766 -6.976 1.00 0.00 C ATOM 1095 C ARG A 72 -6.911 -10.624 -6.117 1.00 0.00 C ATOM 1096 O ARG A 72 -6.731 -11.814 -6.373 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.063 -8.541 -7.473 1.00 0.00 C ATOM 1098 CG ARG A 72 -7.629 -7.941 -8.748 1.00 0.00 C ATOM 1099 CD ARG A 72 -6.561 -7.182 -9.509 1.00 0.00 C ATOM 1100 NE ARG A 72 -6.885 -7.022 -10.925 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.456 -5.937 -11.447 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -7.878 -4.952 -10.662 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -7.629 -5.849 -12.757 1.00 0.00 N ATOM 0 H ARG A 72 -8.928 -8.477 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.154 -10.365 -7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.066 -7.781 -6.692 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.023 -8.818 -7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.037 -8.732 -9.377 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.453 -7.271 -8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.428 -6.199 -9.057 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.611 -7.707 -9.415 1.00 0.00 H new ATOM 0 HE ARG A 72 -6.659 -7.792 -11.555 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.766 -5.022 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.314 -4.125 -11.071 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.325 -6.611 -13.364 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.066 -5.020 -13.159 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.330 -10.006 -5.105 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.421 -10.713 -4.206 1.00 0.00 C ATOM 1119 C HIS A 73 -6.194 -11.359 -3.058 1.00 0.00 C ATOM 1120 O HIS A 73 -7.189 -10.812 -2.584 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.320 -9.792 -3.647 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.352 -8.366 -4.125 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.094 -7.301 -3.294 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -4.574 -7.833 -5.349 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -4.150 -6.180 -3.985 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -4.446 -6.475 -5.233 1.00 0.00 N ATOM 0 H HIS A 73 -6.467 -9.020 -4.881 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.933 -11.490 -4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.391 -9.792 -2.559 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.351 -10.219 -3.904 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.809 -8.378 -6.251 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.982 -5.188 -3.593 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.561 -5.802 -5.990 1.00 0.00 H new ATOM 1135 N PRO A 74 -5.750 -12.546 -2.603 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.413 -13.274 -1.513 1.00 0.00 C ATOM 1137 C PRO A 74 -6.547 -12.443 -0.239 1.00 0.00 C ATOM 1138 O PRO A 74 -7.655 -12.091 0.166 1.00 0.00 O ATOM 1139 CB PRO A 74 -5.499 -14.478 -1.271 1.00 0.00 C ATOM 1140 CG PRO A 74 -4.743 -14.653 -2.543 1.00 0.00 C ATOM 1141 CD PRO A 74 -4.577 -13.277 -3.120 1.00 0.00 C ATOM 0 HA PRO A 74 -7.435 -13.544 -1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.825 -14.299 -0.433 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.077 -15.370 -1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.775 -15.119 -2.360 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.284 -15.302 -3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.643 -12.816 -2.799 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.564 -13.297 -4.210 1.00 0.00 H new ATOM 1149 N MET A 75 -5.419 -12.141 0.396 1.00 0.00 N ATOM 1150 CA MET A 75 -5.424 -11.360 1.629 1.00 0.00 C ATOM 1151 C MET A 75 -4.180 -10.485 1.729 1.00 0.00 C ATOM 1152 O MET A 75 -3.593 -10.340 2.801 1.00 0.00 O ATOM 1153 CB MET A 75 -5.503 -12.287 2.844 1.00 0.00 C ATOM 1154 CG MET A 75 -6.922 -12.683 3.221 1.00 0.00 C ATOM 1155 SD MET A 75 -7.071 -14.434 3.623 1.00 0.00 S ATOM 1156 CE MET A 75 -7.737 -14.345 5.284 1.00 0.00 C ATOM 0 H MET A 75 -4.492 -12.424 0.079 1.00 0.00 H new ATOM 0 HA MET A 75 -6.301 -10.713 1.612 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.926 -13.189 2.640 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.034 -11.795 3.696 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.246 -12.089 4.076 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.593 -12.445 2.395 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.885 -15.353 5.671 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.040 -13.808 5.927 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.692 -13.820 5.265 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.784 -9.903 0.604 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.609 -9.044 0.563 1.00 0.00 C ATOM 1168 C LEU A 76 -2.807 -7.801 1.432 1.00 0.00 C ATOM 1169 O LEU A 76 -3.815 -7.107 1.310 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.316 -8.622 -0.875 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.002 -7.866 -1.077 1.00 0.00 C ATOM 1172 CD1 LEU A 76 0.185 -8.809 -0.951 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.992 -7.168 -2.428 1.00 0.00 C ATOM 0 H LEU A 76 -4.260 -10.011 -0.292 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.764 -9.610 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.304 -9.513 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.135 -7.995 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.918 -7.108 -0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.110 -8.251 -1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.187 -9.260 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.109 -9.592 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.050 -6.635 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.100 -7.908 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.819 -6.460 -2.478 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.844 -7.500 2.320 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.925 -6.331 3.201 1.00 0.00 C ATOM 1187 C PRO A 77 -1.729 -5.022 2.444 1.00 0.00 C ATOM 1188 O PRO A 77 -0.828 -4.902 1.615 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.781 -6.553 4.191 1.00 0.00 C ATOM 1190 CG PRO A 77 0.203 -7.387 3.449 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.602 -8.270 2.537 1.00 0.00 C ATOM 0 HA PRO A 77 -2.903 -6.243 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.341 -5.607 4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.129 -7.058 5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.891 -6.763 2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.806 -7.982 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.080 -8.462 1.600 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.805 -9.239 2.993 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.581 -4.045 2.735 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.501 -2.742 2.083 1.00 0.00 C ATOM 1201 C VAL A 78 -2.370 -1.626 3.111 1.00 0.00 C ATOM 1202 O VAL A 78 -2.895 -1.726 4.219 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.740 -2.460 1.213 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.479 -1.285 0.284 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.138 -3.698 0.422 1.00 0.00 C ATOM 0 H VAL A 78 -3.334 -4.130 3.417 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.617 -2.768 1.446 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.570 -2.200 1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.364 -1.098 -0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.251 -0.398 0.875 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.634 -1.515 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.015 -3.475 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.314 -3.996 -0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.370 -4.511 1.110 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.675 -0.560 2.734 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.487 0.574 3.626 1.00 0.00 C ATOM 1217 C ILE A 79 -1.914 1.872 2.962 1.00 0.00 C ATOM 1218 O ILE A 79 -1.313 2.310 1.986 1.00 0.00 O ATOM 1219 CB ILE A 79 -0.022 0.709 4.081 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.506 -0.631 4.587 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.106 1.774 5.160 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.739 -1.108 3.857 1.00 0.00 C ATOM 0 H ILE A 79 -1.234 -0.458 1.820 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.113 0.386 4.499 1.00 0.00 H new ATOM 0 HB ILE A 79 0.578 1.014 3.224 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.733 -0.545 5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.278 -1.382 4.488 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.148 1.855 5.469 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.232 2.733 4.767 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.507 1.498 6.018 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.058 -2.065 4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.512 -1.227 2.798 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.538 -0.377 3.977 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.957 2.481 3.498 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.465 3.732 2.958 1.00 0.00 C ATOM 1236 C ILE A 80 -2.933 4.926 3.751 1.00 0.00 C ATOM 1237 O ILE A 80 -2.833 4.871 4.977 1.00 0.00 O ATOM 1238 CB ILE A 80 -5.003 3.751 2.958 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.549 2.403 2.480 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.510 4.876 2.076 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -5.270 2.123 1.021 1.00 0.00 C ATOM 0 H ILE A 80 -3.470 2.130 4.307 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.115 3.809 1.929 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.355 3.923 3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.112 1.608 3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.626 2.376 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.600 4.881 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.141 5.829 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.154 4.728 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.685 1.152 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.730 2.897 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.193 2.118 0.851 1.00 0.00 H new ATOM 1253 N MET A 81 -2.574 5.995 3.042 1.00 0.00 N ATOM 1254 CA MET A 81 -2.027 7.193 3.681 1.00 0.00 C ATOM 1255 C MET A 81 -3.109 8.031 4.372 1.00 0.00 C ATOM 1256 O MET A 81 -2.835 8.712 5.358 1.00 0.00 O ATOM 1257 CB MET A 81 -1.282 8.052 2.652 1.00 0.00 C ATOM 1258 CG MET A 81 -2.196 8.730 1.641 1.00 0.00 C ATOM 1259 SD MET A 81 -1.917 10.509 1.524 1.00 0.00 S ATOM 1260 CE MET A 81 -2.658 10.863 -0.071 1.00 0.00 C ATOM 0 H MET A 81 -2.651 6.057 2.027 1.00 0.00 H new ATOM 0 HA MET A 81 -1.332 6.855 4.450 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.707 8.815 3.177 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.567 7.425 2.119 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.044 8.278 0.661 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.234 8.548 1.918 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.791 11.939 -0.180 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.007 10.496 -0.864 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.627 10.369 -0.140 1.00 0.00 H new ATOM 1270 N THR A 82 -4.327 8.001 3.840 1.00 0.00 N ATOM 1271 CA THR A 82 -5.425 8.782 4.412 1.00 0.00 C ATOM 1272 C THR A 82 -6.769 8.075 4.236 1.00 0.00 C ATOM 1273 O THR A 82 -6.928 7.241 3.350 1.00 0.00 O ATOM 1274 CB THR A 82 -5.476 10.166 3.757 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.188 10.758 3.741 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.414 11.131 4.448 1.00 0.00 C ATOM 0 H THR A 82 -4.580 7.450 3.020 1.00 0.00 H new ATOM 0 HA THR A 82 -5.239 8.888 5.481 1.00 0.00 H new ATOM 0 HB THR A 82 -5.848 9.990 2.748 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.711 10.481 2.931 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.398 12.089 3.929 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.427 10.728 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.095 11.272 5.481 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.734 8.420 5.085 1.00 0.00 N ATOM 1285 CA ALA A 83 -9.065 7.822 5.020 1.00 0.00 C ATOM 1286 C ALA A 83 -10.147 8.878 4.750 1.00 0.00 C ATOM 1287 O ALA A 83 -11.333 8.554 4.682 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.362 7.084 6.318 1.00 0.00 C ATOM 0 H ALA A 83 -7.619 9.111 5.826 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.078 7.117 4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.356 6.640 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.621 6.299 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.322 7.784 7.152 1.00 0.00 H new ATOM 1294 N HIS A 84 -9.722 10.141 4.615 1.00 0.00 N ATOM 1295 CA HIS A 84 -10.620 11.282 4.371 1.00 0.00 C ATOM 1296 C HIS A 84 -12.046 11.048 4.890 1.00 0.00 C ATOM 1297 O HIS A 84 -12.327 11.316 6.058 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.641 11.685 2.889 1.00 0.00 C ATOM 1299 CG HIS A 84 -10.236 10.604 1.939 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -10.757 9.333 1.984 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -9.367 10.620 0.900 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -10.226 8.611 1.017 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -9.380 9.366 0.342 1.00 0.00 N ATOM 0 H HIS A 84 -8.738 10.404 4.672 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.206 12.110 4.946 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.647 12.017 2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.978 12.539 2.750 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -11.446 9.001 2.659 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.775 11.462 0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -10.447 7.574 0.811 1.00 0.00 H new ATOM 1312 N SER A 85 -12.954 10.583 4.028 1.00 0.00 N ATOM 1313 CA SER A 85 -14.341 10.368 4.446 1.00 0.00 C ATOM 1314 C SER A 85 -14.927 9.052 3.929 1.00 0.00 C ATOM 1315 O SER A 85 -15.886 8.534 4.501 1.00 0.00 O ATOM 1316 CB SER A 85 -15.217 11.531 3.978 1.00 0.00 C ATOM 1317 OG SER A 85 -14.672 12.776 4.377 1.00 0.00 O ATOM 0 H SER A 85 -12.759 10.352 3.054 1.00 0.00 H new ATOM 0 HA SER A 85 -14.331 10.312 5.535 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.312 11.504 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.221 11.422 4.389 1.00 0.00 H new ATOM 0 HG SER A 85 -15.251 13.502 4.064 1.00 0.00 H new ATOM 1323 N ASP A 86 -14.368 8.518 2.847 1.00 0.00 N ATOM 1324 CA ASP A 86 -14.870 7.270 2.271 1.00 0.00 C ATOM 1325 C ASP A 86 -14.389 6.044 3.053 1.00 0.00 C ATOM 1326 O ASP A 86 -14.256 4.960 2.491 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.435 7.155 0.808 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.600 7.268 -0.156 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.630 6.598 0.072 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.482 8.027 -1.141 1.00 0.00 O ATOM 0 H ASP A 86 -13.573 8.924 2.353 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.958 7.296 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.707 7.936 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.933 6.199 0.656 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.139 6.221 4.350 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.672 5.135 5.212 1.00 0.00 C ATOM 1337 C LEU A 87 -14.484 3.853 5.022 1.00 0.00 C ATOM 1338 O LEU A 87 -14.013 2.762 5.342 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.733 5.570 6.680 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.403 5.507 7.433 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.529 6.189 8.788 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.950 4.063 7.601 1.00 0.00 C ATOM 0 H LEU A 87 -14.253 7.114 4.830 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.642 4.918 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.109 6.592 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.456 4.941 7.199 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.650 6.035 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.575 6.136 9.312 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.807 7.233 8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.295 5.687 9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.002 4.039 8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.701 3.509 8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.822 3.605 6.620 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.700 3.984 4.509 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.565 2.826 4.292 1.00 0.00 C ATOM 1356 C ASP A 88 -15.817 1.702 3.580 1.00 0.00 C ATOM 1357 O ASP A 88 -15.791 0.564 4.049 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.794 3.225 3.475 1.00 0.00 C ATOM 1359 CG ASP A 88 -19.062 2.575 3.989 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -19.151 2.333 5.213 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.967 2.307 3.172 1.00 0.00 O ATOM 0 H ASP A 88 -16.111 4.876 4.235 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.884 2.463 5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.908 4.309 3.500 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -17.641 2.945 2.433 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.205 2.028 2.446 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.454 1.045 1.675 1.00 0.00 C ATOM 1368 C ALA A 89 -13.252 0.529 2.456 1.00 0.00 C ATOM 1369 O ALA A 89 -12.723 -0.543 2.158 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.010 1.643 0.351 1.00 0.00 C ATOM 0 H ALA A 89 -15.215 2.964 2.041 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.111 0.198 1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.450 0.898 -0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.885 1.951 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.375 2.509 0.538 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.825 1.290 3.458 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.689 0.893 4.275 1.00 0.00 C ATOM 1378 C ALA A 90 -12.042 -0.315 5.127 1.00 0.00 C ATOM 1379 O ALA A 90 -11.197 -1.169 5.391 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.229 2.040 5.164 1.00 0.00 C ATOM 0 H ALA A 90 -13.247 2.180 3.721 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.872 0.627 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.379 1.717 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.934 2.886 4.543 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.045 2.340 5.822 1.00 0.00 H new ATOM 1386 N VAL A 91 -13.298 -0.386 5.557 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.738 -1.502 6.376 1.00 0.00 C ATOM 1388 C VAL A 91 -13.652 -2.808 5.601 1.00 0.00 C ATOM 1389 O VAL A 91 -13.122 -3.799 6.101 1.00 0.00 O ATOM 1390 CB VAL A 91 -15.160 -1.315 6.923 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -15.364 -2.241 8.110 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -15.396 0.136 7.324 1.00 0.00 C ATOM 0 H VAL A 91 -14.018 0.307 5.354 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.062 -1.540 7.231 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.881 -1.565 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -16.373 -2.112 8.503 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -15.227 -3.275 7.793 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.639 -2.001 8.887 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -16.410 0.247 7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.681 0.421 8.096 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.266 0.780 6.454 1.00 0.00 H new ATOM 1402 N SER A 92 -14.145 -2.804 4.365 1.00 0.00 N ATOM 1403 CA SER A 92 -14.077 -3.994 3.529 1.00 0.00 C ATOM 1404 C SER A 92 -12.617 -4.367 3.284 1.00 0.00 C ATOM 1405 O SER A 92 -12.306 -5.485 2.873 1.00 0.00 O ATOM 1406 CB SER A 92 -14.795 -3.768 2.197 1.00 0.00 C ATOM 1407 OG SER A 92 -14.026 -2.947 1.334 1.00 0.00 O ATOM 0 H SER A 92 -14.591 -1.998 3.926 1.00 0.00 H new ATOM 0 HA SER A 92 -14.577 -4.812 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.986 -4.727 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.764 -3.303 2.377 1.00 0.00 H new ATOM 0 HG SER A 92 -13.653 -2.197 1.843 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.725 -3.415 3.539 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.300 -3.621 3.370 1.00 0.00 C ATOM 1415 C ALA A 93 -9.713 -4.464 4.493 1.00 0.00 C ATOM 1416 O ALA A 93 -9.023 -5.451 4.258 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.595 -2.281 3.284 1.00 0.00 C ATOM 0 H ALA A 93 -11.974 -2.482 3.868 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.146 -4.170 2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.524 -2.441 3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.982 -1.720 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.772 -1.717 4.200 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.979 -4.055 5.722 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.467 -4.768 6.892 1.00 0.00 C ATOM 1425 C TYR A 94 -9.926 -6.216 6.886 1.00 0.00 C ATOM 1426 O TYR A 94 -9.221 -7.108 7.355 1.00 0.00 O ATOM 1427 CB TYR A 94 -9.920 -4.099 8.193 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.932 -2.590 8.139 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.764 -1.876 7.895 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -11.111 -1.878 8.334 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.771 -0.496 7.847 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -11.124 -0.498 8.285 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.953 0.190 8.041 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.967 1.567 7.994 1.00 0.00 O ATOM 0 H TYR A 94 -10.545 -3.235 5.941 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.379 -4.735 6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.922 -4.451 8.440 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.262 -4.418 9.001 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.837 -2.409 7.741 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -12.030 -2.412 8.527 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.855 0.045 7.658 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -12.047 0.041 8.437 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.245 1.882 7.411 1.00 0.00 H new ATOM 1444 N GLN A 95 -11.115 -6.437 6.355 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.685 -7.777 6.292 1.00 0.00 C ATOM 1446 C GLN A 95 -11.056 -8.593 5.167 1.00 0.00 C ATOM 1447 O GLN A 95 -10.919 -9.810 5.279 1.00 0.00 O ATOM 1448 CB GLN A 95 -13.203 -7.702 6.120 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.639 -7.125 4.789 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.677 -8.161 3.682 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.433 -9.344 3.914 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.991 -7.716 2.470 1.00 0.00 N ATOM 0 H GLN A 95 -11.708 -5.707 5.960 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.465 -8.282 7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.621 -8.703 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.621 -7.095 6.923 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.628 -6.680 4.898 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.958 -6.322 4.506 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -14.186 -6.725 2.325 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.037 -8.365 1.685 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.667 -7.924 4.083 1.00 0.00 N ATOM 1462 CA GLN A 96 -10.053 -8.609 2.957 1.00 0.00 C ATOM 1463 C GLN A 96 -8.559 -8.827 3.188 1.00 0.00 C ATOM 1464 O GLN A 96 -7.937 -9.645 2.511 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.285 -7.848 1.649 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.717 -6.439 1.637 1.00 0.00 C ATOM 1467 CD GLN A 96 -8.389 -6.347 0.912 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -8.167 -7.024 -0.091 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.499 -5.499 1.419 1.00 0.00 N ATOM 0 H GLN A 96 -10.767 -6.916 3.965 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.531 -9.585 2.873 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.841 -8.413 0.830 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.357 -7.797 1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.432 -5.768 1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.590 -6.095 2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.727 -4.958 2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.588 -5.389 0.974 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.984 -8.112 4.156 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.571 -8.279 4.452 1.00 0.00 C ATOM 1480 C GLY A 97 -5.796 -6.974 4.525 1.00 0.00 C ATOM 1481 O GLY A 97 -4.571 -6.991 4.630 1.00 0.00 O ATOM 0 H GLY A 97 -8.468 -7.426 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.469 -8.804 5.402 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.123 -8.914 3.687 1.00 0.00 H new ATOM 1485 N ALA A 98 -6.493 -5.843 4.474 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.834 -4.542 4.539 1.00 0.00 C ATOM 1487 C ALA A 98 -4.997 -4.412 5.808 1.00 0.00 C ATOM 1488 O ALA A 98 -5.280 -5.056 6.818 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.861 -3.426 4.464 1.00 0.00 C ATOM 0 H ALA A 98 -7.508 -5.800 4.388 1.00 0.00 H new ATOM 0 HA ALA A 98 -5.163 -4.460 3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.355 -2.462 4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.410 -3.500 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.556 -3.514 5.299 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.959 -3.582 5.748 1.00 0.00 N ATOM 1496 CA PHE A 99 -3.083 -3.382 6.889 1.00 0.00 C ATOM 1497 C PHE A 99 -3.673 -2.376 7.872 1.00 0.00 C ATOM 1498 O PHE A 99 -3.807 -2.669 9.060 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.705 -2.909 6.427 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.653 -3.002 7.495 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.332 -4.222 8.065 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.010 -1.866 7.929 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.633 -4.305 9.051 1.00 0.00 C ATOM 1504 CE2 PHE A 99 0.975 -1.944 8.913 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.286 -3.164 9.474 1.00 0.00 C ATOM 0 H PHE A 99 -3.708 -3.040 4.921 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.981 -4.340 7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.394 -3.504 5.568 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.778 -1.875 6.089 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.840 -5.117 7.736 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.231 -0.908 7.492 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.876 -5.261 9.490 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.485 -1.051 9.243 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.040 -3.228 10.244 1.00 0.00 H new ATOM 1515 N ASP A 100 -4.025 -1.190 7.369 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.601 -0.136 8.208 1.00 0.00 C ATOM 1517 C ASP A 100 -4.747 1.177 7.431 1.00 0.00 C ATOM 1518 O ASP A 100 -4.731 1.186 6.199 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.728 0.084 9.453 1.00 0.00 C ATOM 1520 CG ASP A 100 -2.405 0.741 9.119 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.867 0.463 8.027 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.911 1.536 9.946 1.00 0.00 O ATOM 0 H ASP A 100 -3.921 -0.936 6.387 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.595 -0.458 8.517 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.269 0.704 10.168 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.543 -0.874 9.938 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.891 2.281 8.166 1.00 0.00 N ATOM 1528 CA TYR A 101 -5.047 3.603 7.564 1.00 0.00 C ATOM 1529 C TYR A 101 -4.297 4.654 8.377 1.00 0.00 C ATOM 1530 O TYR A 101 -4.090 4.488 9.579 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.527 3.990 7.485 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.168 3.709 6.152 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.644 2.443 5.842 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.317 4.718 5.208 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.248 2.190 4.628 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.917 4.473 3.990 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.382 3.207 3.707 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.984 2.954 2.501 1.00 0.00 O ATOM 0 H TYR A 101 -4.903 2.283 9.186 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.632 3.562 6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.074 3.451 8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.625 5.053 7.706 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.540 1.644 6.562 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.957 5.711 5.432 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.614 1.200 4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.021 5.266 3.265 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.331 3.067 1.779 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.892 5.735 7.719 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.170 6.808 8.391 1.00 0.00 C ATOM 1550 C LEU A 102 -4.098 7.993 8.670 1.00 0.00 C ATOM 1551 O LEU A 102 -4.664 8.576 7.744 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.992 7.256 7.530 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.612 6.967 8.119 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.457 5.489 8.427 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.473 7.425 7.164 1.00 0.00 C ATOM 0 H LEU A 102 -4.051 5.891 6.724 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.797 6.433 9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.065 6.767 6.559 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.078 8.328 7.354 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.514 7.521 9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.533 5.306 8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.217 5.186 9.147 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.575 4.912 7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.451 7.213 7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.372 6.895 6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.377 8.497 6.991 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.272 8.366 9.955 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.145 9.483 10.341 1.00 0.00 C ATOM 1569 C PRO A 103 -4.769 10.789 9.645 1.00 0.00 C ATOM 1570 O PRO A 103 -5.508 11.280 8.793 1.00 0.00 O ATOM 1571 CB PRO A 103 -4.939 9.600 11.856 1.00 0.00 C ATOM 1572 CG PRO A 103 -4.444 8.262 12.281 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.644 7.728 11.127 1.00 0.00 C ATOM 0 HA PRO A 103 -6.181 9.301 10.055 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.219 10.382 12.097 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.870 9.856 12.362 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -3.830 8.341 13.178 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.274 7.597 12.520 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.590 7.992 11.212 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.697 6.641 11.070 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.619 11.350 10.010 1.00 0.00 N ATOM 1582 CA LYS A 104 -3.164 12.600 9.411 1.00 0.00 C ATOM 1583 C LYS A 104 -1.730 12.481 8.891 1.00 0.00 C ATOM 1584 O LYS A 104 -1.492 12.667 7.697 1.00 0.00 O ATOM 1585 CB LYS A 104 -3.286 13.754 10.410 1.00 0.00 C ATOM 1586 CG LYS A 104 -4.708 14.271 10.561 1.00 0.00 C ATOM 1587 CD LYS A 104 -5.008 15.390 9.577 1.00 0.00 C ATOM 1588 CE LYS A 104 -5.536 16.627 10.286 1.00 0.00 C ATOM 1589 NZ LYS A 104 -5.441 17.841 9.429 1.00 0.00 N ATOM 0 H LYS A 104 -2.990 10.962 10.713 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.808 12.813 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.922 13.423 11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.641 14.572 10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -5.411 13.452 10.406 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.858 14.632 11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.103 15.644 9.026 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.741 15.047 8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.575 16.465 10.573 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.973 16.787 11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.811 18.663 9.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.447 18.010 9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.999 17.699 8.563 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.748 12.167 9.758 1.00 0.00 N ATOM 1604 CA PRO A 105 0.647 12.030 9.327 1.00 0.00 C ATOM 1605 C PRO A 105 0.795 11.041 8.174 1.00 0.00 C ATOM 1606 O PRO A 105 -0.090 10.221 7.931 1.00 0.00 O ATOM 1607 CB PRO A 105 1.364 11.506 10.574 1.00 0.00 C ATOM 1608 CG PRO A 105 0.512 11.946 11.713 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.901 11.915 11.206 1.00 0.00 C ATOM 0 HA PRO A 105 1.052 12.972 8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.461 10.421 10.548 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.372 11.914 10.652 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.634 11.284 12.570 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.787 12.948 12.042 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.377 10.953 11.399 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.517 12.677 11.684 1.00 0.00 H new ATOM 1617 N PHE A 106 1.919 11.124 7.471 1.00 0.00 N ATOM 1618 CA PHE A 106 2.188 10.237 6.347 1.00 0.00 C ATOM 1619 C PHE A 106 3.661 10.326 5.928 1.00 0.00 C ATOM 1620 O PHE A 106 4.527 9.795 6.619 1.00 0.00 O ATOM 1621 CB PHE A 106 1.254 10.556 5.171 1.00 0.00 C ATOM 1622 CG PHE A 106 1.503 9.707 3.954 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.611 8.329 4.063 1.00 0.00 C ATOM 1624 CD2 PHE A 106 1.632 10.288 2.702 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.844 7.547 2.947 1.00 0.00 C ATOM 1626 CE2 PHE A 106 1.866 9.509 1.582 1.00 0.00 C ATOM 1627 CZ PHE A 106 1.971 8.138 1.706 1.00 0.00 C ATOM 0 H PHE A 106 2.660 11.799 7.661 1.00 0.00 H new ATOM 0 HA PHE A 106 1.992 9.212 6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.221 10.421 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.370 11.606 4.901 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.512 7.861 5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.549 11.360 2.599 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.927 6.475 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.966 9.973 0.612 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.152 7.529 0.833 1.00 0.00 H new ATOM 1637 N ASP A 107 3.950 10.989 4.803 1.00 0.00 N ATOM 1638 CA ASP A 107 5.329 11.119 4.318 1.00 0.00 C ATOM 1639 C ASP A 107 6.075 9.787 4.425 1.00 0.00 C ATOM 1640 O ASP A 107 5.493 8.768 4.788 1.00 0.00 O ATOM 1641 CB ASP A 107 6.079 12.206 5.092 1.00 0.00 C ATOM 1642 CG ASP A 107 6.161 11.917 6.579 1.00 0.00 C ATOM 1643 OD1 ASP A 107 6.789 10.904 6.952 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.599 12.703 7.371 1.00 0.00 O ATOM 0 H ASP A 107 3.252 11.442 4.214 1.00 0.00 H new ATOM 0 HA ASP A 107 5.285 11.407 3.268 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.087 12.303 4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.581 13.164 4.939 1.00 0.00 H new ATOM 1649 N ILE A 108 7.358 9.793 4.103 1.00 0.00 N ATOM 1650 CA ILE A 108 8.156 8.576 4.172 1.00 0.00 C ATOM 1651 C ILE A 108 8.343 8.115 5.610 1.00 0.00 C ATOM 1652 O ILE A 108 8.256 6.926 5.910 1.00 0.00 O ATOM 1653 CB ILE A 108 9.518 8.750 3.458 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.538 7.915 2.180 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.687 8.362 4.352 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.403 8.242 1.232 1.00 0.00 C ATOM 0 H ILE A 108 7.868 10.620 3.793 1.00 0.00 H new ATOM 0 HA ILE A 108 7.606 7.797 3.645 1.00 0.00 H new ATOM 0 HB ILE A 108 9.632 9.806 3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.487 8.071 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.489 6.859 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.622 8.500 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.688 8.991 5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.589 7.317 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.477 7.613 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.450 8.059 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.464 9.290 0.939 1.00 0.00 H new ATOM 1668 N ASP A 109 8.606 9.061 6.488 1.00 0.00 N ATOM 1669 CA ASP A 109 8.818 8.757 7.899 1.00 0.00 C ATOM 1670 C ASP A 109 7.715 7.858 8.455 1.00 0.00 C ATOM 1671 O ASP A 109 7.992 6.765 8.940 1.00 0.00 O ATOM 1672 CB ASP A 109 8.889 10.046 8.718 1.00 0.00 C ATOM 1673 CG ASP A 109 9.453 9.816 10.106 1.00 0.00 C ATOM 1674 OD1 ASP A 109 10.620 9.384 10.211 1.00 0.00 O ATOM 1675 OD2 ASP A 109 8.727 10.068 11.090 1.00 0.00 O ATOM 0 H ASP A 109 8.679 10.051 6.254 1.00 0.00 H new ATOM 0 HA ASP A 109 9.765 8.223 7.977 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.508 10.774 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 109 7.891 10.477 8.801 1.00 0.00 H new ATOM 1680 N GLU A 110 6.467 8.320 8.386 1.00 0.00 N ATOM 1681 CA GLU A 110 5.343 7.547 8.895 1.00 0.00 C ATOM 1682 C GLU A 110 4.976 6.413 7.949 1.00 0.00 C ATOM 1683 O GLU A 110 4.542 5.347 8.385 1.00 0.00 O ATOM 1684 CB GLU A 110 4.120 8.443 9.140 1.00 0.00 C ATOM 1685 CG GLU A 110 4.278 9.384 10.323 1.00 0.00 C ATOM 1686 CD GLU A 110 3.616 8.854 11.580 1.00 0.00 C ATOM 1687 OE1 GLU A 110 2.517 8.273 11.472 1.00 0.00 O ATOM 1688 OE2 GLU A 110 4.197 9.025 12.672 1.00 0.00 O ATOM 0 H GLU A 110 6.213 9.222 7.984 1.00 0.00 H new ATOM 0 HA GLU A 110 5.654 7.115 9.846 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.926 9.031 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.246 7.813 9.303 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.339 9.545 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.849 10.354 10.071 1.00 0.00 H new ATOM 1695 N ALA A 111 5.156 6.643 6.657 1.00 0.00 N ATOM 1696 CA ALA A 111 4.845 5.628 5.661 1.00 0.00 C ATOM 1697 C ALA A 111 5.790 4.440 5.797 1.00 0.00 C ATOM 1698 O ALA A 111 5.356 3.316 6.040 1.00 0.00 O ATOM 1699 CB ALA A 111 4.904 6.216 4.263 1.00 0.00 C ATOM 0 H ALA A 111 5.514 7.518 6.275 1.00 0.00 H new ATOM 0 HA ALA A 111 3.829 5.273 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.669 5.442 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.180 7.027 4.178 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.905 6.602 4.073 1.00 0.00 H new ATOM 1705 N VAL A 112 7.088 4.697 5.658 1.00 0.00 N ATOM 1706 CA VAL A 112 8.085 3.641 5.790 1.00 0.00 C ATOM 1707 C VAL A 112 8.012 3.001 7.169 1.00 0.00 C ATOM 1708 O VAL A 112 8.280 1.812 7.340 1.00 0.00 O ATOM 1709 CB VAL A 112 9.512 4.166 5.559 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.507 3.013 5.566 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.579 4.936 4.253 1.00 0.00 C ATOM 0 H VAL A 112 7.471 5.620 5.456 1.00 0.00 H new ATOM 0 HA VAL A 112 7.859 2.899 5.024 1.00 0.00 H new ATOM 0 HB VAL A 112 9.777 4.845 6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.513 3.399 5.401 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.467 2.504 6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.254 2.309 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.594 5.303 4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.302 4.279 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.890 5.779 4.292 1.00 0.00 H new ATOM 1721 N ALA A 113 7.633 3.801 8.146 1.00 0.00 N ATOM 1722 CA ALA A 113 7.499 3.327 9.513 1.00 0.00 C ATOM 1723 C ALA A 113 6.418 2.265 9.593 1.00 0.00 C ATOM 1724 O ALA A 113 6.580 1.228 10.237 1.00 0.00 O ATOM 1725 CB ALA A 113 7.139 4.485 10.424 1.00 0.00 C ATOM 0 H ALA A 113 7.411 4.788 8.019 1.00 0.00 H new ATOM 0 HA ALA A 113 8.448 2.896 9.831 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.039 4.125 11.448 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.924 5.240 10.380 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.195 4.923 10.100 1.00 0.00 H new ATOM 1731 N LEU A 114 5.305 2.553 8.936 1.00 0.00 N ATOM 1732 CA LEU A 114 4.160 1.663 8.916 1.00 0.00 C ATOM 1733 C LEU A 114 4.343 0.516 7.928 1.00 0.00 C ATOM 1734 O LEU A 114 3.681 -0.516 8.040 1.00 0.00 O ATOM 1735 CB LEU A 114 2.906 2.463 8.562 1.00 0.00 C ATOM 1736 CG LEU A 114 1.588 1.698 8.654 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.283 1.330 10.095 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.459 2.530 8.072 1.00 0.00 C ATOM 0 H LEU A 114 5.172 3.412 8.402 1.00 0.00 H new ATOM 0 HA LEU A 114 4.058 1.222 9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.850 3.328 9.223 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.014 2.844 7.546 1.00 0.00 H new ATOM 0 HG LEU A 114 1.681 0.778 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.340 0.785 10.140 1.00 0.00 H new ATOM 0 HD12 LEU A 114 2.083 0.703 10.487 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.207 2.237 10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.476 1.975 8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.370 3.463 8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.672 2.751 7.026 1.00 0.00 H new ATOM 1750 N VAL A 115 5.230 0.694 6.954 1.00 0.00 N ATOM 1751 CA VAL A 115 5.461 -0.350 5.960 1.00 0.00 C ATOM 1752 C VAL A 115 6.365 -1.453 6.505 1.00 0.00 C ATOM 1753 O VAL A 115 6.085 -2.639 6.331 1.00 0.00 O ATOM 1754 CB VAL A 115 6.043 0.196 4.634 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.513 0.556 4.771 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.849 -0.820 3.520 1.00 0.00 C ATOM 0 H VAL A 115 5.792 1.536 6.832 1.00 0.00 H new ATOM 0 HA VAL A 115 4.479 -0.769 5.740 1.00 0.00 H new ATOM 0 HB VAL A 115 5.503 1.109 4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.885 0.935 3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.630 1.322 5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 115 8.080 -0.331 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 115 6.262 -0.425 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.360 -1.747 3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.785 -1.017 3.389 1.00 0.00 H new ATOM 1766 N GLU A 116 7.444 -1.054 7.167 1.00 0.00 N ATOM 1767 CA GLU A 116 8.382 -2.013 7.739 1.00 0.00 C ATOM 1768 C GLU A 116 7.722 -2.811 8.855 1.00 0.00 C ATOM 1769 O GLU A 116 7.853 -4.034 8.918 1.00 0.00 O ATOM 1770 CB GLU A 116 9.618 -1.289 8.270 1.00 0.00 C ATOM 1771 CG GLU A 116 10.425 -0.600 7.183 1.00 0.00 C ATOM 1772 CD GLU A 116 11.500 0.310 7.745 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.173 1.149 8.609 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.665 0.185 7.316 1.00 0.00 O ATOM 0 H GLU A 116 7.691 -0.076 7.321 1.00 0.00 H new ATOM 0 HA GLU A 116 8.687 -2.705 6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.308 -0.548 9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.256 -2.006 8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.888 -1.354 6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.754 -0.017 6.551 1.00 0.00 H new ATOM 1781 N ARG A 117 7.007 -2.115 9.729 1.00 0.00 N ATOM 1782 CA ARG A 117 6.318 -2.763 10.837 1.00 0.00 C ATOM 1783 C ARG A 117 5.305 -3.777 10.321 1.00 0.00 C ATOM 1784 O ARG A 117 4.954 -4.733 11.014 1.00 0.00 O ATOM 1785 CB ARG A 117 5.620 -1.721 11.709 1.00 0.00 C ATOM 1786 CG ARG A 117 6.576 -0.911 12.569 1.00 0.00 C ATOM 1787 CD ARG A 117 5.895 0.314 13.153 1.00 0.00 C ATOM 1788 NE ARG A 117 5.047 -0.026 14.292 1.00 0.00 N ATOM 1789 CZ ARG A 117 3.821 0.457 14.486 1.00 0.00 C ATOM 1790 NH1 ARG A 117 3.292 1.322 13.626 1.00 0.00 N ATOM 1791 NH2 ARG A 117 3.122 0.079 15.547 1.00 0.00 N ATOM 0 H ARG A 117 6.889 -1.103 9.692 1.00 0.00 H new ATOM 0 HA ARG A 117 7.058 -3.289 11.440 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.056 -1.042 11.069 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.900 -2.223 12.355 1.00 0.00 H new ATOM 0 HG2 ARG A 117 6.959 -1.535 13.376 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.433 -0.602 11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 117 6.650 1.035 13.465 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.293 0.796 12.383 1.00 0.00 H new ATOM 0 HE ARG A 117 5.418 -0.676 14.985 1.00 0.00 H new ATOM 0 HH11 ARG A 117 3.826 1.621 12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.352 1.687 13.782 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.523 -0.581 16.213 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.183 0.448 15.697 1.00 0.00 H new ATOM 1805 N ALA A 118 4.844 -3.563 9.095 1.00 0.00 N ATOM 1806 CA ALA A 118 3.876 -4.451 8.476 1.00 0.00 C ATOM 1807 C ALA A 118 4.521 -5.774 8.091 1.00 0.00 C ATOM 1808 O ALA A 118 3.999 -6.843 8.403 1.00 0.00 O ATOM 1809 CB ALA A 118 3.249 -3.788 7.260 1.00 0.00 C ATOM 0 H ALA A 118 5.128 -2.777 8.510 1.00 0.00 H new ATOM 0 HA ALA A 118 3.090 -4.657 9.202 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.526 -4.467 6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.745 -2.871 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.026 -3.550 6.534 1.00 0.00 H new ATOM 1815 N ILE A 119 5.664 -5.702 7.417 1.00 0.00 N ATOM 1816 CA ILE A 119 6.375 -6.900 7.002 1.00 0.00 C ATOM 1817 C ILE A 119 6.873 -7.678 8.212 1.00 0.00 C ATOM 1818 O ILE A 119 6.973 -8.904 8.183 1.00 0.00 O ATOM 1819 CB ILE A 119 7.575 -6.560 6.100 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.162 -5.597 4.987 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.173 -7.826 5.509 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.229 -4.576 4.669 1.00 0.00 C ATOM 0 H ILE A 119 6.115 -4.827 7.148 1.00 0.00 H new ATOM 0 HA ILE A 119 5.670 -7.510 6.437 1.00 0.00 H new ATOM 0 HB ILE A 119 8.332 -6.071 6.713 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.931 -6.167 4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.248 -5.081 5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.020 -7.566 4.874 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.510 -8.479 6.314 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.419 -8.342 4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.879 -3.920 3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.442 -3.984 5.559 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.137 -5.086 4.347 1.00 0.00 H new ATOM 1834 N SER A 120 7.182 -6.947 9.273 1.00 0.00 N ATOM 1835 CA SER A 120 7.673 -7.544 10.507 1.00 0.00 C ATOM 1836 C SER A 120 6.554 -8.277 11.238 1.00 0.00 C ATOM 1837 O SER A 120 6.650 -9.477 11.498 1.00 0.00 O ATOM 1838 CB SER A 120 8.273 -6.467 11.413 1.00 0.00 C ATOM 1839 OG SER A 120 9.285 -7.005 12.244 1.00 0.00 O ATOM 0 H SER A 120 7.100 -5.931 9.304 1.00 0.00 H new ATOM 0 HA SER A 120 8.448 -8.266 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.688 -5.664 10.803 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.488 -6.027 12.029 1.00 0.00 H new ATOM 0 HG SER A 120 9.653 -6.296 12.812 1.00 0.00 H new ATOM 1845 N HIS A 121 5.495 -7.546 11.569 1.00 0.00 N ATOM 1846 CA HIS A 121 4.357 -8.126 12.273 1.00 0.00 C ATOM 1847 C HIS A 121 3.720 -9.240 11.451 1.00 0.00 C ATOM 1848 O HIS A 121 3.112 -10.159 11.998 1.00 0.00 O ATOM 1849 CB HIS A 121 3.322 -7.044 12.584 1.00 0.00 C ATOM 1850 CG HIS A 121 3.635 -6.260 13.821 1.00 0.00 C ATOM 1851 ND1 HIS A 121 4.706 -5.393 13.914 1.00 0.00 N ATOM 1852 CD2 HIS A 121 3.011 -6.209 15.022 1.00 0.00 C ATOM 1853 CE1 HIS A 121 4.728 -4.848 15.117 1.00 0.00 C ATOM 1854 NE2 HIS A 121 3.710 -5.326 15.808 1.00 0.00 N ATOM 0 H HIS A 121 5.401 -6.552 11.361 1.00 0.00 H new ATOM 0 HA HIS A 121 4.717 -8.554 13.209 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.255 -6.361 11.737 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.343 -7.510 12.696 1.00 0.00 H new ATOM 0 HD1 HIS A 121 5.376 -5.203 13.169 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.128 -6.760 15.308 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.455 -4.133 15.474 1.00 0.00 H new ATOM 1863 N TYR A 122 3.870 -9.153 10.135 1.00 0.00 N ATOM 1864 CA TYR A 122 3.317 -10.151 9.230 1.00 0.00 C ATOM 1865 C TYR A 122 4.126 -11.443 9.295 1.00 0.00 C ATOM 1866 O TYR A 122 3.588 -12.509 9.596 1.00 0.00 O ATOM 1867 CB TYR A 122 3.295 -9.616 7.798 1.00 0.00 C ATOM 1868 CG TYR A 122 2.468 -10.453 6.848 1.00 0.00 C ATOM 1869 CD1 TYR A 122 1.089 -10.543 6.994 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.066 -11.153 5.808 1.00 0.00 C ATOM 1871 CE1 TYR A 122 0.329 -11.309 6.128 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.313 -11.919 4.939 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.945 -11.994 5.103 1.00 0.00 C ATOM 1874 OH TYR A 122 0.188 -12.756 4.239 1.00 0.00 O ATOM 0 H TYR A 122 4.373 -8.397 9.670 1.00 0.00 H new ATOM 0 HA TYR A 122 2.295 -10.366 9.541 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.904 -8.599 7.806 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.317 -9.562 7.424 1.00 0.00 H new ATOM 0 HD1 TYR A 122 0.603 -10.007 7.796 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.137 -11.098 5.677 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.742 -11.370 6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.793 -12.457 4.135 1.00 0.00 H new ATOM 0 HH TYR A 122 0.773 -13.173 3.573 1.00 0.00 H new ATOM 1884 N GLN A 123 5.420 -11.341 9.009 1.00 0.00 N ATOM 1885 CA GLN A 123 6.307 -12.501 9.035 1.00 0.00 C ATOM 1886 C GLN A 123 5.802 -13.597 8.102 1.00 0.00 C ATOM 1887 O GLN A 123 4.684 -13.527 7.590 1.00 0.00 O ATOM 1888 CB GLN A 123 6.425 -13.046 10.459 1.00 0.00 C ATOM 1889 CG GLN A 123 7.720 -13.799 10.718 1.00 0.00 C ATOM 1890 CD GLN A 123 8.031 -13.929 12.195 1.00 0.00 C ATOM 1891 OE1 GLN A 123 7.855 -14.993 12.789 1.00 0.00 O ATOM 1892 NE2 GLN A 123 8.499 -12.842 12.800 1.00 0.00 N ATOM 0 H GLN A 123 5.879 -10.466 8.756 1.00 0.00 H new ATOM 0 HA GLN A 123 7.290 -12.181 8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.349 -12.218 11.163 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.583 -13.710 10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.653 -14.793 10.275 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.542 -13.283 10.221 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.630 -11.980 12.270 1.00 0.00 H new ATOM 0 HE22 GLN A 123 8.727 -12.870 13.794 1.00 0.00 H new ATOM 1901 N GLU A 124 6.635 -14.609 7.885 1.00 0.00 N ATOM 1902 CA GLU A 124 6.274 -15.721 7.015 1.00 0.00 C ATOM 1903 C GLU A 124 7.034 -16.986 7.404 1.00 0.00 C ATOM 1904 O GLU A 124 7.487 -17.125 8.541 1.00 0.00 O ATOM 1905 CB GLU A 124 6.565 -15.368 5.556 1.00 0.00 C ATOM 1906 CG GLU A 124 5.969 -16.349 4.560 1.00 0.00 C ATOM 1907 CD GLU A 124 5.241 -15.660 3.424 1.00 0.00 C ATOM 1908 OE1 GLU A 124 5.831 -14.748 2.807 1.00 0.00 O ATOM 1909 OE2 GLU A 124 4.080 -16.032 3.150 1.00 0.00 O ATOM 0 H GLU A 124 7.564 -14.682 8.300 1.00 0.00 H new ATOM 0 HA GLU A 124 5.207 -15.909 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.176 -14.371 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.644 -15.326 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.764 -16.973 4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.278 -17.013 5.079 1.00 0.00 H new TER 1916 GLU A 124