USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 452 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.5!) USER MOD Single : A 11 GLN : amide:sc= -0.275 K(o=-0.28,f=-3!) USER MOD Single : A 12 GLN : amide:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 16 THR OG1 : rot 32:sc= -0.272 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc=-0.00123 X(o=-0.0012,f=-0.042) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -146:sc= 1.39 USER MOD Single : A 43 THR OG1 : rot -71:sc= -0.117 USER MOD Single : A 47 SER OG : rot 180:sc=-0.000808 USER MOD Single : A 49 GLN : amide:sc= -0.413 K(o=-0.41,f=-3.1!) USER MOD Single : A 50 THR OG1 : rot 155:sc= -0.399 USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.0027) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLY A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLY A 1 3.197 1.037 -1.210 1.00 0.00 C ATOM 4 O GLY A 1 3.188 1.995 -1.982 1.00 0.00 O ATOM 0 H1 GLY A 1 0.569 -0.712 -0.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.964 -0.228 0.789 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.906 0.940 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.493 -0.990 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.402 0.214 -2.077 1.00 0.00 H new ATOM 8 N SER A 2 4.139 0.812 -0.305 1.00 0.00 N ATOM 9 CA SER A 2 5.267 1.715 -0.158 1.00 0.00 C ATOM 10 C SER A 2 6.350 1.064 0.704 1.00 0.00 C ATOM 11 O SER A 2 6.215 0.989 1.924 1.00 0.00 O ATOM 12 CB SER A 2 4.831 3.047 0.454 1.00 0.00 C ATOM 13 OG SER A 2 5.741 4.100 0.147 1.00 0.00 O ATOM 0 H SER A 2 4.143 0.017 0.334 1.00 0.00 H new ATOM 0 HA SER A 2 5.673 1.918 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.838 3.307 0.086 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.752 2.940 1.536 1.00 0.00 H new ATOM 0 HG SER A 2 5.426 4.934 0.554 1.00 0.00 H new ATOM 19 N SER A 3 7.400 0.610 0.036 1.00 0.00 N ATOM 20 CA SER A 3 8.506 -0.033 0.726 1.00 0.00 C ATOM 21 C SER A 3 8.027 -1.324 1.392 1.00 0.00 C ATOM 22 O SER A 3 7.092 -1.305 2.191 1.00 0.00 O ATOM 23 CB SER A 3 9.124 0.903 1.766 1.00 0.00 C ATOM 24 OG SER A 3 10.078 1.790 1.187 1.00 0.00 O ATOM 0 H SER A 3 7.509 0.675 -0.976 1.00 0.00 H new ATOM 0 HA SER A 3 9.274 -0.274 -0.009 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.335 1.482 2.246 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.605 0.312 2.545 1.00 0.00 H new ATOM 0 HG SER A 3 10.448 2.372 1.883 1.00 0.00 H new ATOM 30 N GLY A 4 8.690 -2.416 1.039 1.00 0.00 N ATOM 31 CA GLY A 4 8.344 -3.714 1.592 1.00 0.00 C ATOM 32 C GLY A 4 8.218 -4.765 0.488 1.00 0.00 C ATOM 33 O GLY A 4 8.638 -4.534 -0.645 1.00 0.00 O ATOM 0 H GLY A 4 9.465 -2.428 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.106 -4.023 2.308 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.404 -3.641 2.139 1.00 0.00 H new ATOM 37 N SER A 5 7.638 -5.898 0.856 1.00 0.00 N ATOM 38 CA SER A 5 7.451 -6.985 -0.089 1.00 0.00 C ATOM 39 C SER A 5 5.978 -7.393 -0.133 1.00 0.00 C ATOM 40 O SER A 5 5.342 -7.550 0.908 1.00 0.00 O ATOM 41 CB SER A 5 8.324 -8.188 0.275 1.00 0.00 C ATOM 42 OG SER A 5 7.997 -8.716 1.558 1.00 0.00 O ATOM 0 H SER A 5 7.291 -6.087 1.797 1.00 0.00 H new ATOM 0 HA SER A 5 7.754 -6.635 -1.076 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.202 -8.966 -0.479 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.373 -7.892 0.261 1.00 0.00 H new ATOM 0 HG SER A 5 8.575 -9.483 1.753 1.00 0.00 H new ATOM 48 N SER A 6 5.477 -7.554 -1.350 1.00 0.00 N ATOM 49 CA SER A 6 4.090 -7.941 -1.543 1.00 0.00 C ATOM 50 C SER A 6 4.018 -9.326 -2.188 1.00 0.00 C ATOM 51 O SER A 6 4.901 -9.704 -2.957 1.00 0.00 O ATOM 52 CB SER A 6 3.348 -6.916 -2.404 1.00 0.00 C ATOM 53 OG SER A 6 4.067 -6.595 -3.591 1.00 0.00 O ATOM 0 H SER A 6 6.007 -7.423 -2.212 1.00 0.00 H new ATOM 0 HA SER A 6 3.605 -7.976 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.367 -7.309 -2.670 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.182 -6.008 -1.824 1.00 0.00 H new ATOM 0 HG SER A 6 3.560 -5.939 -4.114 1.00 0.00 H new ATOM 59 N GLY A 7 2.959 -10.047 -1.849 1.00 0.00 N ATOM 60 CA GLY A 7 2.761 -11.383 -2.385 1.00 0.00 C ATOM 61 C GLY A 7 3.155 -12.449 -1.361 1.00 0.00 C ATOM 62 O GLY A 7 2.953 -12.267 -0.161 1.00 0.00 O ATOM 0 H GLY A 7 2.229 -9.731 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.717 -11.514 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.355 -11.507 -3.291 1.00 0.00 H new ATOM 66 N ARG A 8 3.712 -13.537 -1.871 1.00 0.00 N ATOM 67 CA ARG A 8 4.137 -14.632 -1.016 1.00 0.00 C ATOM 68 C ARG A 8 5.416 -14.254 -0.266 1.00 0.00 C ATOM 69 O ARG A 8 6.363 -13.745 -0.864 1.00 0.00 O ATOM 70 CB ARG A 8 4.389 -15.902 -1.831 1.00 0.00 C ATOM 71 CG ARG A 8 5.527 -15.695 -2.832 1.00 0.00 C ATOM 72 CD ARG A 8 6.837 -16.283 -2.303 1.00 0.00 C ATOM 73 NE ARG A 8 7.902 -16.144 -3.321 1.00 0.00 N ATOM 74 CZ ARG A 8 9.200 -16.376 -3.086 1.00 0.00 C ATOM 75 NH1 ARG A 8 9.602 -16.760 -1.867 1.00 0.00 N ATOM 76 NH2 ARG A 8 10.097 -16.224 -4.070 1.00 0.00 N ATOM 0 H ARG A 8 3.879 -13.684 -2.866 1.00 0.00 H new ATOM 0 HA ARG A 8 3.336 -14.825 -0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.635 -16.726 -1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.480 -16.184 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.271 -16.165 -3.782 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.655 -14.630 -3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.130 -15.772 -1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.698 -17.334 -2.052 1.00 0.00 H new ATOM 0 HE ARG A 8 7.631 -15.853 -4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.920 -16.876 -1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.591 -16.937 -1.688 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.791 -15.932 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.085 -16.401 -3.891 1.00 0.00 H new ATOM 90 N ASN A 9 5.403 -14.518 1.032 1.00 0.00 N ATOM 91 CA ASN A 9 6.549 -14.212 1.870 1.00 0.00 C ATOM 92 C ASN A 9 7.607 -15.305 1.699 1.00 0.00 C ATOM 93 O ASN A 9 8.754 -15.016 1.363 1.00 0.00 O ATOM 94 CB ASN A 9 6.155 -14.163 3.348 1.00 0.00 C ATOM 95 CG ASN A 9 7.008 -13.147 4.109 1.00 0.00 C ATOM 96 OD1 ASN A 9 7.637 -12.273 3.537 1.00 0.00 O ATOM 97 ND2 ASN A 9 6.993 -13.309 5.429 1.00 0.00 N ATOM 0 H ASN A 9 4.616 -14.941 1.524 1.00 0.00 H new ATOM 0 HA ASN A 9 6.936 -13.239 1.568 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.101 -13.899 3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.276 -15.151 3.793 1.00 0.00 H new ATOM 0 HD21 ASN A 9 7.530 -12.680 6.026 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.444 -14.062 5.844 1.00 0.00 H new ATOM 104 N ARG A 10 7.182 -16.537 1.939 1.00 0.00 N ATOM 105 CA ARG A 10 8.078 -17.674 1.816 1.00 0.00 C ATOM 106 C ARG A 10 7.282 -18.980 1.822 1.00 0.00 C ATOM 107 O ARG A 10 6.792 -19.408 2.866 1.00 0.00 O ATOM 108 CB ARG A 10 9.096 -17.700 2.958 1.00 0.00 C ATOM 109 CG ARG A 10 10.455 -17.174 2.493 1.00 0.00 C ATOM 110 CD ARG A 10 11.597 -17.900 3.207 1.00 0.00 C ATOM 111 NE ARG A 10 12.673 -18.223 2.243 1.00 0.00 N ATOM 112 CZ ARG A 10 13.493 -17.312 1.700 1.00 0.00 C ATOM 113 NH1 ARG A 10 13.366 -16.018 2.024 1.00 0.00 N ATOM 114 NH2 ARG A 10 14.441 -17.696 0.835 1.00 0.00 N ATOM 0 H ARG A 10 6.230 -16.772 2.218 1.00 0.00 H new ATOM 0 HA ARG A 10 8.612 -17.574 0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.732 -17.094 3.788 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.204 -18.719 3.330 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.552 -17.308 1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.521 -16.104 2.689 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.991 -17.275 4.009 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.225 -18.814 3.669 1.00 0.00 H new ATOM 0 HE ARG A 10 12.798 -19.199 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.645 -15.726 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.990 -15.325 1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.539 -18.681 0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.065 -17.003 0.422 1.00 0.00 H new ATOM 128 N GLN A 11 7.177 -19.578 0.644 1.00 0.00 N ATOM 129 CA GLN A 11 6.448 -20.827 0.501 1.00 0.00 C ATOM 130 C GLN A 11 7.175 -21.757 -0.472 1.00 0.00 C ATOM 131 O GLN A 11 6.940 -21.705 -1.679 1.00 0.00 O ATOM 132 CB GLN A 11 5.009 -20.573 0.045 1.00 0.00 C ATOM 133 CG GLN A 11 4.166 -21.845 0.159 1.00 0.00 C ATOM 134 CD GLN A 11 3.768 -22.364 -1.224 1.00 0.00 C ATOM 135 OE1 GLN A 11 4.126 -21.810 -2.250 1.00 0.00 O ATOM 136 NE2 GLN A 11 3.010 -23.456 -1.194 1.00 0.00 N ATOM 0 H GLN A 11 7.585 -19.221 -0.220 1.00 0.00 H new ATOM 0 HA GLN A 11 6.405 -21.314 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.566 -19.783 0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.007 -20.222 -0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.729 -22.612 0.691 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.271 -21.641 0.746 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.746 -23.869 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.692 -23.880 -2.065 1.00 0.00 H new ATOM 145 N GLN A 12 8.043 -22.586 0.088 1.00 0.00 N ATOM 146 CA GLN A 12 8.806 -23.527 -0.715 1.00 0.00 C ATOM 147 C GLN A 12 8.908 -24.875 0.001 1.00 0.00 C ATOM 148 O GLN A 12 8.464 -25.895 -0.524 1.00 0.00 O ATOM 149 CB GLN A 12 10.194 -22.971 -1.038 1.00 0.00 C ATOM 150 CG GLN A 12 10.767 -23.625 -2.298 1.00 0.00 C ATOM 151 CD GLN A 12 11.381 -22.578 -3.229 1.00 0.00 C ATOM 152 OE1 GLN A 12 12.398 -21.971 -2.937 1.00 0.00 O ATOM 153 NE2 GLN A 12 10.708 -22.400 -4.362 1.00 0.00 N ATOM 0 H GLN A 12 8.235 -22.626 1.089 1.00 0.00 H new ATOM 0 HA GLN A 12 8.282 -23.678 -1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.134 -21.892 -1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.864 -23.145 -0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.524 -24.358 -2.019 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.979 -24.165 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.863 -22.942 -4.544 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.037 -21.722 -5.049 1.00 0.00 H new ATOM 162 N ARG A 13 9.495 -24.836 1.188 1.00 0.00 N ATOM 163 CA ARG A 13 9.661 -26.042 1.981 1.00 0.00 C ATOM 164 C ARG A 13 8.806 -25.967 3.248 1.00 0.00 C ATOM 165 O ARG A 13 8.477 -24.877 3.715 1.00 0.00 O ATOM 166 CB ARG A 13 11.125 -26.246 2.373 1.00 0.00 C ATOM 167 CG ARG A 13 11.620 -25.102 3.261 1.00 0.00 C ATOM 168 CD ARG A 13 12.976 -24.583 2.780 1.00 0.00 C ATOM 169 NE ARG A 13 13.428 -23.471 3.646 1.00 0.00 N ATOM 170 CZ ARG A 13 14.008 -23.638 4.842 1.00 0.00 C ATOM 171 NH1 ARG A 13 14.210 -24.873 5.322 1.00 0.00 N ATOM 172 NH2 ARG A 13 14.385 -22.571 5.559 1.00 0.00 N ATOM 0 H ARG A 13 9.862 -23.988 1.620 1.00 0.00 H new ATOM 0 HA ARG A 13 9.339 -26.886 1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.235 -27.194 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.740 -26.307 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.893 -24.290 3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.703 -25.447 4.292 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.710 -25.389 2.796 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.899 -24.243 1.747 1.00 0.00 H new ATOM 0 HE ARG A 13 13.289 -22.518 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.922 -25.686 4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.652 -25.000 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.230 -21.631 5.194 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.827 -22.699 6.470 1.00 0.00 H new ATOM 186 N PRO A 14 8.462 -27.169 3.782 1.00 0.00 N ATOM 187 CA PRO A 14 7.652 -27.249 4.985 1.00 0.00 C ATOM 188 C PRO A 14 8.476 -26.895 6.225 1.00 0.00 C ATOM 189 O PRO A 14 9.453 -27.573 6.540 1.00 0.00 O ATOM 190 CB PRO A 14 7.124 -28.674 5.010 1.00 0.00 C ATOM 191 CG PRO A 14 8.026 -29.469 4.079 1.00 0.00 C ATOM 192 CD PRO A 14 8.834 -28.479 3.256 1.00 0.00 C ATOM 0 HA PRO A 14 6.830 -26.534 4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.149 -29.082 6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 14 6.087 -28.712 4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.688 -30.119 4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.432 -30.111 3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.904 -28.658 3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.599 -28.561 2.195 1.00 0.00 H new ATOM 200 N GLY A 15 8.052 -25.834 6.895 1.00 0.00 N ATOM 201 CA GLY A 15 8.738 -25.381 8.093 1.00 0.00 C ATOM 202 C GLY A 15 8.462 -26.319 9.270 1.00 0.00 C ATOM 203 O GLY A 15 7.402 -26.940 9.338 1.00 0.00 O ATOM 0 H GLY A 15 7.241 -25.274 6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.811 -25.332 7.906 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.412 -24.372 8.343 1.00 0.00 H new ATOM 207 N THR A 16 9.433 -26.392 10.168 1.00 0.00 N ATOM 208 CA THR A 16 9.308 -27.243 11.339 1.00 0.00 C ATOM 209 C THR A 16 8.753 -28.613 10.945 1.00 0.00 C ATOM 210 O THR A 16 8.750 -28.971 9.768 1.00 0.00 O ATOM 211 CB THR A 16 8.444 -26.509 12.367 1.00 0.00 C ATOM 212 OG1 THR A 16 7.213 -26.282 11.686 1.00 0.00 O ATOM 213 CG2 THR A 16 8.966 -25.104 12.674 1.00 0.00 C ATOM 0 H THR A 16 10.310 -25.875 10.108 1.00 0.00 H new ATOM 0 HA THR A 16 10.280 -27.439 11.792 1.00 0.00 H new ATOM 0 HB THR A 16 8.403 -27.090 13.289 1.00 0.00 H new ATOM 0 HG1 THR A 16 7.047 -27.015 11.058 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.317 -24.627 13.409 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.978 -25.171 13.073 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.975 -24.511 11.759 1.00 0.00 H new ATOM 221 N ILE A 17 8.295 -29.342 11.952 1.00 0.00 N ATOM 222 CA ILE A 17 7.738 -30.665 11.726 1.00 0.00 C ATOM 223 C ILE A 17 6.579 -30.899 12.697 1.00 0.00 C ATOM 224 O ILE A 17 6.709 -31.663 13.652 1.00 0.00 O ATOM 225 CB ILE A 17 8.834 -31.729 11.809 1.00 0.00 C ATOM 226 CG1 ILE A 17 9.573 -31.653 13.147 1.00 0.00 C ATOM 227 CG2 ILE A 17 9.791 -31.625 10.620 1.00 0.00 C ATOM 228 CD1 ILE A 17 10.210 -32.998 13.500 1.00 0.00 C ATOM 0 H ILE A 17 8.298 -29.042 12.927 1.00 0.00 H new ATOM 0 HA ILE A 17 7.330 -30.739 10.718 1.00 0.00 H new ATOM 0 HB ILE A 17 8.361 -32.710 11.757 1.00 0.00 H new ATOM 0 HG12 ILE A 17 10.344 -30.884 13.097 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.878 -31.358 13.934 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.560 -32.393 10.704 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.236 -31.767 9.693 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.260 -30.641 10.615 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.728 -32.915 14.455 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.434 -33.760 13.573 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.922 -33.278 12.724 1.00 0.00 H new ATOM 240 N LYS A 18 5.472 -30.225 12.420 1.00 0.00 N ATOM 241 CA LYS A 18 4.291 -30.350 13.257 1.00 0.00 C ATOM 242 C LYS A 18 3.175 -29.470 12.691 1.00 0.00 C ATOM 243 O LYS A 18 2.009 -29.861 12.697 1.00 0.00 O ATOM 244 CB LYS A 18 4.634 -30.044 14.717 1.00 0.00 C ATOM 245 CG LYS A 18 5.457 -28.759 14.829 1.00 0.00 C ATOM 246 CD LYS A 18 6.684 -28.970 15.718 1.00 0.00 C ATOM 247 CE LYS A 18 6.488 -28.317 17.088 1.00 0.00 C ATOM 248 NZ LYS A 18 6.340 -29.351 18.137 1.00 0.00 N ATOM 0 H LYS A 18 5.368 -29.591 11.628 1.00 0.00 H new ATOM 0 HA LYS A 18 3.925 -31.377 13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.716 -29.944 15.297 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.192 -30.876 15.145 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.773 -28.438 13.837 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.838 -27.961 15.240 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.868 -30.037 15.843 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.565 -28.549 15.233 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.340 -27.676 17.318 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.605 -27.679 17.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.208 -28.892 19.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.514 -29.945 17.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.195 -29.943 18.164 1.00 0.00 H new ATOM 262 N HIS A 19 3.572 -28.299 12.215 1.00 0.00 N ATOM 263 CA HIS A 19 2.619 -27.361 11.646 1.00 0.00 C ATOM 264 C HIS A 19 2.286 -27.774 10.211 1.00 0.00 C ATOM 265 O HIS A 19 3.182 -27.925 9.381 1.00 0.00 O ATOM 266 CB HIS A 19 3.144 -25.927 11.743 1.00 0.00 C ATOM 267 CG HIS A 19 3.394 -25.459 13.157 1.00 0.00 C ATOM 268 ND1 HIS A 19 2.535 -25.746 14.204 1.00 0.00 N ATOM 269 CD2 HIS A 19 4.413 -24.724 13.686 1.00 0.00 C ATOM 270 CE1 HIS A 19 3.025 -25.201 15.308 1.00 0.00 C ATOM 271 NE2 HIS A 19 4.189 -24.568 14.984 1.00 0.00 N ATOM 0 H HIS A 19 4.540 -27.978 12.212 1.00 0.00 H new ATOM 0 HA HIS A 19 1.692 -27.387 12.219 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.072 -25.852 11.177 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.427 -25.256 11.270 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.260 -24.334 13.140 1.00 0.00 H new ATOM 0 HE1 HIS A 19 2.581 -25.249 16.291 1.00 0.00 H new ATOM 0 HE2 HIS A 19 4.789 -24.058 15.633 1.00 0.00 H new ATOM 279 N GLY A 20 0.996 -27.946 9.963 1.00 0.00 N ATOM 280 CA GLY A 20 0.534 -28.339 8.642 1.00 0.00 C ATOM 281 C GLY A 20 0.086 -29.802 8.631 1.00 0.00 C ATOM 282 O GLY A 20 -0.982 -30.124 8.114 1.00 0.00 O ATOM 0 H GLY A 20 0.256 -27.821 10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.294 -27.699 8.337 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.333 -28.194 7.915 1.00 0.00 H new ATOM 286 N SER A 21 0.926 -30.649 9.208 1.00 0.00 N ATOM 287 CA SER A 21 0.631 -32.070 9.271 1.00 0.00 C ATOM 288 C SER A 21 0.362 -32.612 7.866 1.00 0.00 C ATOM 289 O SER A 21 0.196 -31.841 6.921 1.00 0.00 O ATOM 290 CB SER A 21 -0.567 -32.344 10.183 1.00 0.00 C ATOM 291 OG SER A 21 -0.195 -32.377 11.558 1.00 0.00 O ATOM 0 H SER A 21 1.811 -30.378 9.636 1.00 0.00 H new ATOM 0 HA SER A 21 1.498 -32.580 9.691 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.323 -31.573 10.030 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.022 -33.295 9.908 1.00 0.00 H new ATOM 0 HG SER A 21 -0.987 -32.553 12.107 1.00 0.00 H new ATOM 297 N ALA A 22 0.327 -33.933 7.772 1.00 0.00 N ATOM 298 CA ALA A 22 0.082 -34.586 6.497 1.00 0.00 C ATOM 299 C ALA A 22 -1.425 -34.773 6.307 1.00 0.00 C ATOM 300 O ALA A 22 -1.926 -34.698 5.186 1.00 0.00 O ATOM 301 CB ALA A 22 0.844 -35.912 6.447 1.00 0.00 C ATOM 0 H ALA A 22 0.464 -34.569 8.558 1.00 0.00 H new ATOM 0 HA ALA A 22 0.445 -33.970 5.674 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.660 -36.402 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.912 -35.723 6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.504 -36.558 7.257 1.00 0.00 H new ATOM 307 N LEU A 23 -2.104 -35.013 7.418 1.00 0.00 N ATOM 308 CA LEU A 23 -3.543 -35.211 7.388 1.00 0.00 C ATOM 309 C LEU A 23 -4.230 -33.883 7.062 1.00 0.00 C ATOM 310 O LEU A 23 -4.935 -33.774 6.060 1.00 0.00 O ATOM 311 CB LEU A 23 -4.024 -35.848 8.693 1.00 0.00 C ATOM 312 CG LEU A 23 -5.485 -35.589 9.067 1.00 0.00 C ATOM 313 CD1 LEU A 23 -6.431 -36.155 8.007 1.00 0.00 C ATOM 314 CD2 LEU A 23 -5.798 -36.132 10.463 1.00 0.00 C ATOM 0 H LEU A 23 -1.684 -35.075 8.346 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.814 -35.913 6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.872 -36.925 8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.392 -35.487 9.505 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.644 -34.511 9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.463 -35.957 8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.227 -35.681 7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.278 -37.231 7.920 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.843 -35.935 10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.617 -37.207 10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.158 -35.642 11.196 1.00 0.00 H new ATOM 326 N ASP A 24 -4.000 -32.906 7.928 1.00 0.00 N ATOM 327 CA ASP A 24 -4.588 -31.590 7.744 1.00 0.00 C ATOM 328 C ASP A 24 -4.526 -31.211 6.263 1.00 0.00 C ATOM 329 O ASP A 24 -5.468 -30.628 5.728 1.00 0.00 O ATOM 330 CB ASP A 24 -3.821 -30.530 8.536 1.00 0.00 C ATOM 331 CG ASP A 24 -4.558 -29.976 9.757 1.00 0.00 C ATOM 332 OD1 ASP A 24 -5.604 -30.566 10.105 1.00 0.00 O ATOM 333 OD2 ASP A 24 -4.059 -28.975 10.316 1.00 0.00 O ATOM 0 H ASP A 24 -3.415 -33.000 8.758 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.619 -31.628 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.874 -30.958 8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.581 -29.702 7.869 1.00 0.00 H new ATOM 338 N VAL A 25 -3.408 -31.557 5.643 1.00 0.00 N ATOM 339 CA VAL A 25 -3.211 -31.259 4.234 1.00 0.00 C ATOM 340 C VAL A 25 -4.363 -31.858 3.425 1.00 0.00 C ATOM 341 O VAL A 25 -5.075 -31.139 2.726 1.00 0.00 O ATOM 342 CB VAL A 25 -1.838 -31.760 3.781 1.00 0.00 C ATOM 343 CG1 VAL A 25 -1.653 -31.564 2.275 1.00 0.00 C ATOM 344 CG2 VAL A 25 -0.718 -31.074 4.565 1.00 0.00 C ATOM 0 H VAL A 25 -2.629 -32.041 6.090 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.221 -30.182 4.066 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.786 -32.829 3.989 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.669 -31.928 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.422 -32.120 1.739 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.736 -30.504 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.247 -31.448 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.768 -29.997 4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.834 -31.287 5.628 1.00 0.00 H new ATOM 354 N LEU A 26 -4.510 -33.170 3.547 1.00 0.00 N ATOM 355 CA LEU A 26 -5.564 -33.873 2.836 1.00 0.00 C ATOM 356 C LEU A 26 -6.903 -33.183 3.103 1.00 0.00 C ATOM 357 O LEU A 26 -7.664 -32.917 2.174 1.00 0.00 O ATOM 358 CB LEU A 26 -5.555 -35.360 3.199 1.00 0.00 C ATOM 359 CG LEU A 26 -4.516 -36.220 2.477 1.00 0.00 C ATOM 360 CD1 LEU A 26 -3.988 -37.326 3.393 1.00 0.00 C ATOM 361 CD2 LEU A 26 -5.082 -36.781 1.170 1.00 0.00 C ATOM 0 H LEU A 26 -3.917 -33.763 4.127 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.392 -33.829 1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.390 -35.451 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.544 -35.770 2.993 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.669 -35.586 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.251 -37.923 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.522 -36.879 4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.814 -37.965 3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.324 -37.389 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.956 -37.396 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.370 -35.958 0.516 1.00 0.00 H new ATOM 373 N LEU A 27 -7.150 -32.913 4.376 1.00 0.00 N ATOM 374 CA LEU A 27 -8.383 -32.259 4.777 1.00 0.00 C ATOM 375 C LEU A 27 -8.534 -30.947 4.005 1.00 0.00 C ATOM 376 O LEU A 27 -9.646 -30.548 3.662 1.00 0.00 O ATOM 377 CB LEU A 27 -8.430 -32.087 6.297 1.00 0.00 C ATOM 378 CG LEU A 27 -8.424 -33.378 7.118 1.00 0.00 C ATOM 379 CD1 LEU A 27 -8.228 -33.080 8.606 1.00 0.00 C ATOM 380 CD2 LEU A 27 -9.690 -34.198 6.860 1.00 0.00 C ATOM 0 H LEU A 27 -6.516 -33.136 5.144 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.242 -32.880 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.576 -31.482 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.327 -31.522 6.551 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.577 -33.984 6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.228 -34.014 9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.277 -32.568 8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.040 -32.445 8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.660 -35.110 7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.566 -33.612 7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.747 -34.457 5.803 1.00 0.00 H new ATOM 392 N SER A 28 -7.399 -30.311 3.754 1.00 0.00 N ATOM 393 CA SER A 28 -7.391 -29.052 3.029 1.00 0.00 C ATOM 394 C SER A 28 -7.724 -29.294 1.556 1.00 0.00 C ATOM 395 O SER A 28 -8.359 -28.459 0.914 1.00 0.00 O ATOM 396 CB SER A 28 -6.037 -28.351 3.158 1.00 0.00 C ATOM 397 OG SER A 28 -6.126 -26.959 2.866 1.00 0.00 O ATOM 0 H SER A 28 -6.478 -30.644 4.040 1.00 0.00 H new ATOM 0 HA SER A 28 -8.150 -28.402 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.654 -28.485 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.321 -28.818 2.482 1.00 0.00 H new ATOM 0 HG SER A 28 -5.242 -26.548 2.961 1.00 0.00 H new ATOM 403 N MET A 29 -7.282 -30.442 1.063 1.00 0.00 N ATOM 404 CA MET A 29 -7.525 -30.805 -0.323 1.00 0.00 C ATOM 405 C MET A 29 -9.017 -31.033 -0.576 1.00 0.00 C ATOM 406 O MET A 29 -9.486 -30.903 -1.705 1.00 0.00 O ATOM 407 CB MET A 29 -6.749 -32.079 -0.661 1.00 0.00 C ATOM 408 CG MET A 29 -5.387 -31.746 -1.273 1.00 0.00 C ATOM 409 SD MET A 29 -4.963 -32.956 -2.514 1.00 0.00 S ATOM 410 CE MET A 29 -3.340 -33.431 -1.943 1.00 0.00 C ATOM 0 H MET A 29 -6.757 -31.133 1.599 1.00 0.00 H new ATOM 0 HA MET A 29 -7.189 -29.985 -0.958 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.610 -32.675 0.241 1.00 0.00 H new ATOM 0 HB3 MET A 29 -7.326 -32.686 -1.358 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.412 -30.751 -1.717 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.624 -31.728 -0.495 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.926 -34.187 -2.610 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.687 -32.558 -1.935 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.414 -33.838 -0.935 1.00 0.00 H new ATOM 420 N GLY A 30 -9.722 -31.369 0.495 1.00 0.00 N ATOM 421 CA GLY A 30 -11.150 -31.616 0.403 1.00 0.00 C ATOM 422 C GLY A 30 -11.474 -33.081 0.701 1.00 0.00 C ATOM 423 O GLY A 30 -12.486 -33.604 0.237 1.00 0.00 O ATOM 0 H GLY A 30 -9.330 -31.476 1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.680 -30.973 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.504 -31.357 -0.595 1.00 0.00 H new ATOM 427 N PHE A 31 -10.595 -33.703 1.474 1.00 0.00 N ATOM 428 CA PHE A 31 -10.774 -35.098 1.839 1.00 0.00 C ATOM 429 C PHE A 31 -11.183 -35.232 3.307 1.00 0.00 C ATOM 430 O PHE A 31 -10.743 -34.453 4.151 1.00 0.00 O ATOM 431 CB PHE A 31 -9.425 -35.791 1.632 1.00 0.00 C ATOM 432 CG PHE A 31 -9.069 -36.034 0.164 1.00 0.00 C ATOM 433 CD1 PHE A 31 -8.428 -35.069 -0.549 1.00 0.00 C ATOM 434 CD2 PHE A 31 -9.394 -37.214 -0.429 1.00 0.00 C ATOM 435 CE1 PHE A 31 -8.098 -35.294 -1.912 1.00 0.00 C ATOM 436 CE2 PHE A 31 -9.064 -37.439 -1.791 1.00 0.00 C ATOM 437 CZ PHE A 31 -8.423 -36.475 -2.504 1.00 0.00 C ATOM 0 H PHE A 31 -9.757 -33.266 1.857 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.559 -35.545 1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.643 -35.185 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.435 -36.747 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.170 -34.132 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.903 -37.980 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.589 -34.528 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.322 -38.376 -2.261 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.172 -36.647 -3.540 1.00 0.00 H new ATOM 447 N PRO A 32 -12.042 -36.252 3.573 1.00 0.00 N ATOM 448 CA PRO A 32 -12.515 -36.499 4.924 1.00 0.00 C ATOM 449 C PRO A 32 -11.424 -37.149 5.777 1.00 0.00 C ATOM 450 O PRO A 32 -10.685 -38.007 5.298 1.00 0.00 O ATOM 451 CB PRO A 32 -13.742 -37.380 4.757 1.00 0.00 C ATOM 452 CG PRO A 32 -13.641 -37.975 3.362 1.00 0.00 C ATOM 453 CD PRO A 32 -12.583 -37.195 2.598 1.00 0.00 C ATOM 0 HA PRO A 32 -12.769 -35.581 5.454 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -13.767 -38.163 5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.658 -36.800 4.869 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.373 -39.030 3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.602 -37.916 2.851 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.806 -37.855 2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.015 -36.676 1.742 1.00 0.00 H new ATOM 461 N ARG A 33 -11.358 -36.715 7.028 1.00 0.00 N ATOM 462 CA ARG A 33 -10.369 -37.244 7.952 1.00 0.00 C ATOM 463 C ARG A 33 -10.203 -38.751 7.746 1.00 0.00 C ATOM 464 O ARG A 33 -9.131 -39.214 7.360 1.00 0.00 O ATOM 465 CB ARG A 33 -10.773 -36.976 9.403 1.00 0.00 C ATOM 466 CG ARG A 33 -9.740 -37.550 10.375 1.00 0.00 C ATOM 467 CD ARG A 33 -9.688 -36.731 11.667 1.00 0.00 C ATOM 468 NE ARG A 33 -9.837 -37.624 12.837 1.00 0.00 N ATOM 469 CZ ARG A 33 -8.848 -38.377 13.339 1.00 0.00 C ATOM 470 NH1 ARG A 33 -7.633 -38.349 12.774 1.00 0.00 N ATOM 471 NH2 ARG A 33 -9.074 -39.157 14.404 1.00 0.00 N ATOM 0 H ARG A 33 -11.973 -36.003 7.423 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.424 -36.740 7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.872 -35.903 9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.749 -37.419 9.600 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.989 -38.586 10.606 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.757 -37.556 9.904 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.742 -36.192 11.728 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.481 -35.984 11.666 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.750 -37.670 13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.461 -37.755 11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.880 -38.922 13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.999 -39.178 14.833 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.321 -39.730 14.786 1.00 0.00 H new ATOM 485 N ALA A 34 -11.280 -39.475 8.014 1.00 0.00 N ATOM 486 CA ALA A 34 -11.267 -40.920 7.863 1.00 0.00 C ATOM 487 C ALA A 34 -10.496 -41.289 6.594 1.00 0.00 C ATOM 488 O ALA A 34 -9.527 -42.044 6.650 1.00 0.00 O ATOM 489 CB ALA A 34 -12.705 -41.445 7.845 1.00 0.00 C ATOM 0 H ALA A 34 -12.167 -39.088 8.335 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.759 -41.389 8.706 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.695 -42.529 7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.200 -41.182 8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.245 -40.998 7.010 1.00 0.00 H new ATOM 495 N ARG A 35 -10.956 -40.739 5.479 1.00 0.00 N ATOM 496 CA ARG A 35 -10.322 -41.001 4.199 1.00 0.00 C ATOM 497 C ARG A 35 -8.800 -40.924 4.335 1.00 0.00 C ATOM 498 O ARG A 35 -8.104 -41.918 4.132 1.00 0.00 O ATOM 499 CB ARG A 35 -10.784 -39.998 3.140 1.00 0.00 C ATOM 500 CG ARG A 35 -11.589 -40.693 2.040 1.00 0.00 C ATOM 501 CD ARG A 35 -12.910 -41.237 2.589 1.00 0.00 C ATOM 502 NE ARG A 35 -14.046 -40.654 1.841 1.00 0.00 N ATOM 503 CZ ARG A 35 -15.311 -41.084 1.941 1.00 0.00 C ATOM 504 NH1 ARG A 35 -15.609 -42.104 2.758 1.00 0.00 N ATOM 505 NH2 ARG A 35 -16.278 -40.495 1.225 1.00 0.00 N ATOM 0 H ARG A 35 -11.760 -40.113 5.436 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.612 -42.004 3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.393 -39.225 3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.918 -39.501 2.703 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.789 -39.990 1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.004 -41.509 1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.928 -42.324 2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.000 -40.997 3.648 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.854 -39.876 1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.873 -42.552 3.303 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.572 -42.432 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.051 -39.719 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.241 -40.823 1.302 1.00 0.00 H new ATOM 519 N ALA A 36 -8.327 -39.735 4.677 1.00 0.00 N ATOM 520 CA ALA A 36 -6.901 -39.515 4.842 1.00 0.00 C ATOM 521 C ALA A 36 -6.357 -40.490 5.888 1.00 0.00 C ATOM 522 O ALA A 36 -5.290 -41.074 5.702 1.00 0.00 O ATOM 523 CB ALA A 36 -6.649 -38.054 5.221 1.00 0.00 C ATOM 0 H ALA A 36 -8.907 -38.913 4.845 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.373 -39.705 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.579 -37.890 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.027 -37.403 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.161 -37.827 6.156 1.00 0.00 H new ATOM 529 N GLN A 37 -7.115 -40.637 6.964 1.00 0.00 N ATOM 530 CA GLN A 37 -6.723 -41.532 8.040 1.00 0.00 C ATOM 531 C GLN A 37 -6.467 -42.938 7.494 1.00 0.00 C ATOM 532 O GLN A 37 -5.369 -43.473 7.637 1.00 0.00 O ATOM 533 CB GLN A 37 -7.779 -41.556 9.146 1.00 0.00 C ATOM 534 CG GLN A 37 -7.417 -40.586 10.272 1.00 0.00 C ATOM 535 CD GLN A 37 -7.158 -41.336 11.580 1.00 0.00 C ATOM 536 OE1 GLN A 37 -8.060 -41.855 12.217 1.00 0.00 O ATOM 537 NE2 GLN A 37 -5.879 -41.364 11.944 1.00 0.00 N ATOM 0 H GLN A 37 -7.999 -40.151 7.114 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.797 -41.159 8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.751 -41.290 8.731 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.869 -42.566 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.531 -40.015 9.994 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.226 -39.869 10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.174 -40.909 11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.603 -41.840 12.803 1.00 0.00 H new ATOM 546 N LYS A 38 -7.500 -43.497 6.881 1.00 0.00 N ATOM 547 CA LYS A 38 -7.401 -44.830 6.313 1.00 0.00 C ATOM 548 C LYS A 38 -6.165 -44.908 5.415 1.00 0.00 C ATOM 549 O LYS A 38 -5.314 -45.777 5.598 1.00 0.00 O ATOM 550 CB LYS A 38 -8.702 -45.207 5.601 1.00 0.00 C ATOM 551 CG LYS A 38 -9.826 -45.457 6.610 1.00 0.00 C ATOM 552 CD LYS A 38 -10.853 -46.444 6.053 1.00 0.00 C ATOM 553 CE LYS A 38 -11.275 -47.457 7.119 1.00 0.00 C ATOM 554 NZ LYS A 38 -12.335 -48.348 6.598 1.00 0.00 N ATOM 0 H LYS A 38 -8.410 -43.051 6.765 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.269 -45.570 7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.992 -44.408 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.545 -46.101 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.407 -45.847 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.317 -44.515 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.728 -45.901 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.431 -46.968 5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.413 -48.049 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.635 -46.933 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.609 -49.029 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.163 -47.780 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.979 -48.862 5.767 1.00 0.00 H new ATOM 568 N ALA A 39 -6.105 -43.987 4.464 1.00 0.00 N ATOM 569 CA ALA A 39 -4.987 -43.940 3.537 1.00 0.00 C ATOM 570 C ALA A 39 -3.678 -43.878 4.327 1.00 0.00 C ATOM 571 O ALA A 39 -2.858 -44.792 4.249 1.00 0.00 O ATOM 572 CB ALA A 39 -5.156 -42.747 2.594 1.00 0.00 C ATOM 0 H ALA A 39 -6.813 -43.268 4.316 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.959 -44.840 2.923 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.318 -42.711 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.086 -42.853 2.036 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.185 -41.825 3.175 1.00 0.00 H new ATOM 578 N LEU A 40 -3.522 -42.791 5.069 1.00 0.00 N ATOM 579 CA LEU A 40 -2.327 -42.598 5.872 1.00 0.00 C ATOM 580 C LEU A 40 -1.941 -43.924 6.531 1.00 0.00 C ATOM 581 O LEU A 40 -0.848 -44.440 6.302 1.00 0.00 O ATOM 582 CB LEU A 40 -2.529 -41.453 6.867 1.00 0.00 C ATOM 583 CG LEU A 40 -2.404 -40.039 6.296 1.00 0.00 C ATOM 584 CD1 LEU A 40 -3.368 -39.079 6.994 1.00 0.00 C ATOM 585 CD2 LEU A 40 -0.957 -39.547 6.362 1.00 0.00 C ATOM 0 H LEU A 40 -4.204 -42.035 5.131 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.489 -42.298 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.518 -41.557 7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.802 -41.564 7.671 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.686 -40.069 5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.259 -38.081 6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.392 -39.424 6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.141 -39.047 8.060 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.896 -38.540 5.950 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.624 -39.535 7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.319 -40.215 5.783 1.00 0.00 H new ATOM 597 N ALA A 41 -2.859 -44.437 7.337 1.00 0.00 N ATOM 598 CA ALA A 41 -2.629 -45.693 8.030 1.00 0.00 C ATOM 599 C ALA A 41 -2.057 -46.716 7.047 1.00 0.00 C ATOM 600 O ALA A 41 -0.939 -47.198 7.227 1.00 0.00 O ATOM 601 CB ALA A 41 -3.933 -46.168 8.673 1.00 0.00 C ATOM 0 H ALA A 41 -3.764 -44.005 7.526 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.900 -45.562 8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.760 -47.110 9.193 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.281 -45.420 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.688 -46.313 7.900 1.00 0.00 H new ATOM 607 N SER A 42 -2.849 -47.018 6.029 1.00 0.00 N ATOM 608 CA SER A 42 -2.435 -47.975 5.017 1.00 0.00 C ATOM 609 C SER A 42 -0.980 -47.720 4.619 1.00 0.00 C ATOM 610 O SER A 42 -0.175 -48.648 4.567 1.00 0.00 O ATOM 611 CB SER A 42 -3.343 -47.904 3.788 1.00 0.00 C ATOM 612 OG SER A 42 -4.720 -48.028 4.133 1.00 0.00 O ATOM 0 H SER A 42 -3.775 -46.617 5.883 1.00 0.00 H new ATOM 0 HA SER A 42 -2.518 -48.977 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.182 -46.957 3.273 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.071 -48.696 3.090 1.00 0.00 H new ATOM 0 HG SER A 42 -5.194 -48.506 3.421 1.00 0.00 H new ATOM 618 N THR A 43 -0.688 -46.456 4.347 1.00 0.00 N ATOM 619 CA THR A 43 0.656 -46.067 3.954 1.00 0.00 C ATOM 620 C THR A 43 1.416 -45.495 5.152 1.00 0.00 C ATOM 621 O THR A 43 2.260 -44.614 4.993 1.00 0.00 O ATOM 622 CB THR A 43 0.541 -45.089 2.784 1.00 0.00 C ATOM 623 OG1 THR A 43 0.156 -43.860 3.394 1.00 0.00 O ATOM 624 CG2 THR A 43 -0.625 -45.424 1.852 1.00 0.00 C ATOM 0 H THR A 43 -1.359 -45.689 4.391 1.00 0.00 H new ATOM 0 HA THR A 43 1.236 -46.927 3.621 1.00 0.00 H new ATOM 0 HB THR A 43 1.472 -45.093 2.216 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.772 -43.924 3.702 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.661 -44.699 1.039 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.486 -46.424 1.441 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.560 -45.388 2.411 1.00 0.00 H new ATOM 632 N GLY A 44 1.091 -46.019 6.325 1.00 0.00 N ATOM 633 CA GLY A 44 1.733 -45.572 7.549 1.00 0.00 C ATOM 634 C GLY A 44 1.364 -44.120 7.863 1.00 0.00 C ATOM 635 O GLY A 44 0.439 -43.863 8.632 1.00 0.00 O ATOM 0 H GLY A 44 0.391 -46.750 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.433 -46.214 8.377 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.815 -45.663 7.451 1.00 0.00 H new ATOM 639 N GLY A 45 2.106 -43.209 7.251 1.00 0.00 N ATOM 640 CA GLY A 45 1.869 -41.790 7.455 1.00 0.00 C ATOM 641 C GLY A 45 3.150 -40.983 7.237 1.00 0.00 C ATOM 642 O GLY A 45 3.629 -40.313 8.150 1.00 0.00 O ATOM 0 H GLY A 45 2.872 -43.426 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.096 -41.444 6.768 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.496 -41.622 8.465 1.00 0.00 H new ATOM 646 N ARG A 46 3.669 -41.074 6.021 1.00 0.00 N ATOM 647 CA ARG A 46 4.885 -40.361 5.671 1.00 0.00 C ATOM 648 C ARG A 46 4.565 -39.192 4.736 1.00 0.00 C ATOM 649 O ARG A 46 4.894 -38.046 5.035 1.00 0.00 O ATOM 650 CB ARG A 46 5.892 -41.289 4.989 1.00 0.00 C ATOM 651 CG ARG A 46 6.995 -41.711 5.961 1.00 0.00 C ATOM 652 CD ARG A 46 8.252 -42.151 5.207 1.00 0.00 C ATOM 653 NE ARG A 46 9.170 -42.861 6.126 1.00 0.00 N ATOM 654 CZ ARG A 46 9.879 -42.260 7.091 1.00 0.00 C ATOM 655 NH1 ARG A 46 9.780 -40.936 7.271 1.00 0.00 N ATOM 656 NH2 ARG A 46 10.688 -42.984 7.877 1.00 0.00 N ATOM 0 H ARG A 46 3.269 -41.631 5.266 1.00 0.00 H new ATOM 0 HA ARG A 46 5.324 -39.983 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.379 -42.173 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.333 -40.784 4.130 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.237 -40.881 6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.639 -42.528 6.589 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.979 -42.803 4.377 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.752 -41.282 4.779 1.00 0.00 H new ATOM 0 HE ARG A 46 9.269 -43.870 6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.164 -40.385 6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.320 -40.479 8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.764 -43.992 7.740 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.228 -42.527 8.612 1.00 0.00 H new ATOM 670 N SER A 47 3.927 -39.524 3.623 1.00 0.00 N ATOM 671 CA SER A 47 3.559 -38.517 2.643 1.00 0.00 C ATOM 672 C SER A 47 2.052 -38.567 2.382 1.00 0.00 C ATOM 673 O SER A 47 1.395 -39.556 2.703 1.00 0.00 O ATOM 674 CB SER A 47 4.330 -38.713 1.336 1.00 0.00 C ATOM 675 OG SER A 47 4.161 -37.612 0.447 1.00 0.00 O ATOM 0 H SER A 47 3.656 -40.476 3.379 1.00 0.00 H new ATOM 0 HA SER A 47 3.820 -37.538 3.044 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.390 -38.842 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.992 -39.628 0.849 1.00 0.00 H new ATOM 0 HG SER A 47 4.670 -37.774 -0.375 1.00 0.00 H new ATOM 681 N VAL A 48 1.548 -37.488 1.803 1.00 0.00 N ATOM 682 CA VAL A 48 0.131 -37.396 1.495 1.00 0.00 C ATOM 683 C VAL A 48 -0.127 -37.997 0.112 1.00 0.00 C ATOM 684 O VAL A 48 -1.240 -38.427 -0.184 1.00 0.00 O ATOM 685 CB VAL A 48 -0.337 -35.944 1.612 1.00 0.00 C ATOM 686 CG1 VAL A 48 -0.344 -35.486 3.072 1.00 0.00 C ATOM 687 CG2 VAL A 48 0.525 -35.019 0.751 1.00 0.00 C ATOM 0 H VAL A 48 2.096 -36.669 1.539 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.453 -37.971 2.213 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.360 -35.891 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.680 -34.451 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.019 -36.118 3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.663 -35.562 3.482 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.171 -33.993 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.563 -35.079 1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.456 -35.325 -0.293 1.00 0.00 H new ATOM 697 N GLN A 49 0.922 -38.008 -0.698 1.00 0.00 N ATOM 698 CA GLN A 49 0.823 -38.550 -2.042 1.00 0.00 C ATOM 699 C GLN A 49 0.452 -40.034 -1.991 1.00 0.00 C ATOM 700 O GLN A 49 -0.523 -40.455 -2.611 1.00 0.00 O ATOM 701 CB GLN A 49 2.126 -38.337 -2.816 1.00 0.00 C ATOM 702 CG GLN A 49 1.886 -38.416 -4.325 1.00 0.00 C ATOM 703 CD GLN A 49 2.245 -39.802 -4.865 1.00 0.00 C ATOM 704 OE1 GLN A 49 1.636 -40.805 -4.530 1.00 0.00 O ATOM 705 NE2 GLN A 49 3.266 -39.803 -5.718 1.00 0.00 N ATOM 0 H GLN A 49 1.844 -37.650 -0.449 1.00 0.00 H new ATOM 0 HA GLN A 49 0.033 -38.016 -2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.550 -37.365 -2.562 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.856 -39.090 -2.520 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.841 -38.196 -4.543 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.483 -37.658 -4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.732 -38.928 -5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.582 -40.679 -6.134 1.00 0.00 H new ATOM 714 N THR A 50 1.250 -40.785 -1.246 1.00 0.00 N ATOM 715 CA THR A 50 1.018 -42.212 -1.106 1.00 0.00 C ATOM 716 C THR A 50 -0.424 -42.478 -0.669 1.00 0.00 C ATOM 717 O THR A 50 -1.030 -43.465 -1.082 1.00 0.00 O ATOM 718 CB THR A 50 2.059 -42.767 -0.132 1.00 0.00 C ATOM 719 OG1 THR A 50 1.653 -44.117 0.078 1.00 0.00 O ATOM 720 CG2 THR A 50 1.963 -42.129 1.255 1.00 0.00 C ATOM 0 H THR A 50 2.058 -40.432 -0.733 1.00 0.00 H new ATOM 0 HA THR A 50 1.136 -42.727 -2.060 1.00 0.00 H new ATOM 0 HB THR A 50 3.058 -42.604 -0.537 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.429 -44.655 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.724 -42.559 1.907 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.121 -41.054 1.173 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.976 -42.319 1.676 1.00 0.00 H new ATOM 728 N ALA A 51 -0.932 -41.578 0.160 1.00 0.00 N ATOM 729 CA ALA A 51 -2.292 -41.703 0.658 1.00 0.00 C ATOM 730 C ALA A 51 -3.272 -41.564 -0.509 1.00 0.00 C ATOM 731 O ALA A 51 -4.177 -42.382 -0.665 1.00 0.00 O ATOM 732 CB ALA A 51 -2.534 -40.659 1.750 1.00 0.00 C ATOM 0 H ALA A 51 -0.427 -40.759 0.499 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.448 -42.685 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.554 -40.753 2.123 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.832 -40.819 2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.389 -39.661 1.337 1.00 0.00 H new ATOM 738 N CYS A 52 -3.058 -40.521 -1.299 1.00 0.00 N ATOM 739 CA CYS A 52 -3.911 -40.264 -2.446 1.00 0.00 C ATOM 740 C CYS A 52 -4.021 -41.555 -3.261 1.00 0.00 C ATOM 741 O CYS A 52 -5.119 -41.963 -3.639 1.00 0.00 O ATOM 742 CB CYS A 52 -3.389 -39.100 -3.290 1.00 0.00 C ATOM 743 SG CYS A 52 -4.328 -37.577 -2.903 1.00 0.00 S ATOM 0 H CYS A 52 -2.306 -39.845 -1.167 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.902 -39.964 -2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.329 -38.944 -3.093 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.484 -39.337 -4.350 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.876 -36.594 -3.623 1.00 0.00 H new ATOM 749 N ASP A 53 -2.869 -42.161 -3.509 1.00 0.00 N ATOM 750 CA ASP A 53 -2.823 -43.396 -4.272 1.00 0.00 C ATOM 751 C ASP A 53 -3.783 -44.412 -3.649 1.00 0.00 C ATOM 752 O ASP A 53 -4.659 -44.942 -4.331 1.00 0.00 O ATOM 753 CB ASP A 53 -1.418 -44.002 -4.255 1.00 0.00 C ATOM 754 CG ASP A 53 -1.129 -44.998 -5.379 1.00 0.00 C ATOM 755 OD1 ASP A 53 -2.011 -45.138 -6.254 1.00 0.00 O ATOM 756 OD2 ASP A 53 -0.033 -45.598 -5.338 1.00 0.00 O ATOM 0 H ASP A 53 -1.961 -41.819 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.105 -43.168 -5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.689 -43.193 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.266 -44.503 -3.299 1.00 0.00 H new ATOM 761 N TRP A 54 -3.585 -44.653 -2.361 1.00 0.00 N ATOM 762 CA TRP A 54 -4.422 -45.595 -1.639 1.00 0.00 C ATOM 763 C TRP A 54 -5.874 -45.129 -1.762 1.00 0.00 C ATOM 764 O TRP A 54 -6.763 -45.926 -2.057 1.00 0.00 O ATOM 765 CB TRP A 54 -3.961 -45.738 -0.188 1.00 0.00 C ATOM 766 CG TRP A 54 -4.763 -46.758 0.623 1.00 0.00 C ATOM 767 CD1 TRP A 54 -4.452 -48.036 0.881 1.00 0.00 C ATOM 768 CD2 TRP A 54 -6.031 -46.532 1.276 1.00 0.00 C ATOM 769 NE1 TRP A 54 -5.422 -48.647 1.649 1.00 0.00 N ATOM 770 CE2 TRP A 54 -6.413 -47.704 1.896 1.00 0.00 C ATOM 771 CE3 TRP A 54 -6.828 -45.376 1.339 1.00 0.00 C ATOM 772 CZ2 TRP A 54 -7.601 -47.833 2.625 1.00 0.00 C ATOM 773 CZ3 TRP A 54 -8.012 -45.521 2.071 1.00 0.00 C ATOM 774 CH2 TRP A 54 -8.411 -46.694 2.702 1.00 0.00 C ATOM 0 H TRP A 54 -2.857 -44.212 -1.799 1.00 0.00 H new ATOM 0 HA TRP A 54 -4.339 -46.593 -2.070 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.910 -46.027 -0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.029 -44.766 0.301 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.555 -48.526 0.532 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.413 -49.613 1.976 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.549 -44.449 0.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.878 -48.761 3.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.661 -44.662 2.151 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.342 -46.726 3.249 1.00 0.00 H new ATOM 785 N LEU A 55 -6.069 -43.839 -1.529 1.00 0.00 N ATOM 786 CA LEU A 55 -7.398 -43.257 -1.609 1.00 0.00 C ATOM 787 C LEU A 55 -8.089 -43.747 -2.884 1.00 0.00 C ATOM 788 O LEU A 55 -9.116 -44.420 -2.817 1.00 0.00 O ATOM 789 CB LEU A 55 -7.323 -41.733 -1.498 1.00 0.00 C ATOM 790 CG LEU A 55 -7.456 -41.156 -0.087 1.00 0.00 C ATOM 791 CD1 LEU A 55 -6.816 -39.769 0.001 1.00 0.00 C ATOM 792 CD2 LEU A 55 -8.918 -41.142 0.364 1.00 0.00 C ATOM 0 H LEU A 55 -5.329 -43.181 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.009 -43.586 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.371 -41.405 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.109 -41.304 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.913 -41.805 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.925 -39.382 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.757 -39.840 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.310 -39.095 -0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.985 -40.727 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.504 -40.529 -0.321 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.308 -42.160 0.365 1.00 0.00 H new ATOM 804 N PHE A 56 -7.497 -43.390 -4.014 1.00 0.00 N ATOM 805 CA PHE A 56 -8.042 -43.785 -5.301 1.00 0.00 C ATOM 806 C PHE A 56 -8.149 -45.308 -5.408 1.00 0.00 C ATOM 807 O PHE A 56 -9.216 -45.839 -5.711 1.00 0.00 O ATOM 808 CB PHE A 56 -7.074 -43.278 -6.372 1.00 0.00 C ATOM 809 CG PHE A 56 -6.710 -41.799 -6.232 1.00 0.00 C ATOM 810 CD1 PHE A 56 -7.684 -40.878 -6.001 1.00 0.00 C ATOM 811 CD2 PHE A 56 -5.413 -41.404 -6.338 1.00 0.00 C ATOM 812 CE1 PHE A 56 -7.347 -39.505 -5.871 1.00 0.00 C ATOM 813 CE2 PHE A 56 -5.076 -40.031 -6.208 1.00 0.00 C ATOM 814 CZ PHE A 56 -6.050 -39.110 -5.977 1.00 0.00 C ATOM 0 H PHE A 56 -6.645 -42.831 -4.065 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.041 -43.368 -5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.161 -43.872 -6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -7.517 -43.441 -7.354 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.714 -41.191 -5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.639 -42.135 -6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -8.121 -38.774 -5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.046 -39.718 -6.293 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.793 -38.066 -5.878 1.00 0.00 H new ATOM 824 N SER A 57 -7.029 -45.967 -5.152 1.00 0.00 N ATOM 825 CA SER A 57 -6.983 -47.418 -5.215 1.00 0.00 C ATOM 826 C SER A 57 -7.757 -48.017 -4.039 1.00 0.00 C ATOM 827 O SER A 57 -7.180 -48.296 -2.989 1.00 0.00 O ATOM 828 CB SER A 57 -5.539 -47.924 -5.214 1.00 0.00 C ATOM 829 OG SER A 57 -5.154 -48.442 -6.484 1.00 0.00 O ATOM 0 H SER A 57 -6.146 -45.523 -4.900 1.00 0.00 H new ATOM 0 HA SER A 57 -7.449 -47.735 -6.148 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.870 -47.110 -4.937 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.427 -48.700 -4.457 1.00 0.00 H new ATOM 0 HG SER A 57 -4.226 -48.753 -6.443 1.00 0.00 H new ATOM 835 N HIS A 58 -9.052 -48.198 -4.254 1.00 0.00 N ATOM 836 CA HIS A 58 -9.910 -48.759 -3.225 1.00 0.00 C ATOM 837 C HIS A 58 -9.992 -47.793 -2.042 1.00 0.00 C ATOM 838 O HIS A 58 -8.971 -47.290 -1.575 1.00 0.00 O ATOM 839 CB HIS A 58 -9.431 -50.155 -2.820 1.00 0.00 C ATOM 840 CG HIS A 58 -10.522 -51.042 -2.269 1.00 0.00 C ATOM 841 ND1 HIS A 58 -10.378 -51.769 -1.100 1.00 0.00 N ATOM 842 CD2 HIS A 58 -11.774 -51.311 -2.738 1.00 0.00 C ATOM 843 CE1 HIS A 58 -11.499 -52.442 -0.886 1.00 0.00 C ATOM 844 NE2 HIS A 58 -12.363 -52.158 -1.902 1.00 0.00 N ATOM 0 H HIS A 58 -9.528 -47.966 -5.126 1.00 0.00 H new ATOM 0 HA HIS A 58 -10.920 -48.884 -3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.985 -50.641 -3.688 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.645 -50.055 -2.071 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.212 -50.904 -3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.694 -53.100 -0.053 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -13.306 -52.534 -2.003 1.00 0.00 H new ATOM 852 N SER A 59 -11.216 -47.563 -1.590 1.00 0.00 N ATOM 853 CA SER A 59 -11.444 -46.666 -0.470 1.00 0.00 C ATOM 854 C SER A 59 -12.930 -46.651 -0.107 1.00 0.00 C ATOM 855 O SER A 59 -13.781 -46.942 -0.946 1.00 0.00 O ATOM 856 CB SER A 59 -10.961 -45.251 -0.791 1.00 0.00 C ATOM 857 OG SER A 59 -11.521 -44.283 0.092 1.00 0.00 O ATOM 0 H SER A 59 -12.060 -47.982 -1.979 1.00 0.00 H new ATOM 0 HA SER A 59 -10.872 -47.031 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.874 -45.215 -0.725 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.227 -45.001 -1.818 1.00 0.00 H new ATOM 0 HG SER A 59 -11.187 -43.393 -0.144 1.00 0.00 H new ATOM 863 N GLY A 60 -13.197 -46.308 1.145 1.00 0.00 N ATOM 864 CA GLY A 60 -14.565 -46.250 1.630 1.00 0.00 C ATOM 865 C GLY A 60 -14.816 -47.321 2.694 1.00 0.00 C ATOM 866 O GLY A 60 -13.916 -48.089 3.031 1.00 0.00 O ATOM 0 H GLY A 60 -12.488 -46.067 1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.765 -45.263 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.256 -46.390 0.798 1.00 0.00 H new ATOM 870 N PRO A 61 -16.075 -47.338 3.208 1.00 0.00 N ATOM 871 CA PRO A 61 -16.455 -48.301 4.227 1.00 0.00 C ATOM 872 C PRO A 61 -16.645 -49.693 3.621 1.00 0.00 C ATOM 873 O PRO A 61 -17.739 -50.254 3.677 1.00 0.00 O ATOM 874 CB PRO A 61 -17.727 -47.742 4.842 1.00 0.00 C ATOM 875 CG PRO A 61 -18.267 -46.734 3.840 1.00 0.00 C ATOM 876 CD PRO A 61 -17.166 -46.444 2.832 1.00 0.00 C ATOM 0 HA PRO A 61 -15.686 -48.434 4.988 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -18.452 -48.535 5.028 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -17.521 -47.267 5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -19.150 -47.130 3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -18.572 -45.818 4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -17.502 -46.636 1.813 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -16.855 -45.400 2.874 1.00 0.00 H new ATOM 884 N SER A 62 -15.564 -50.212 3.057 1.00 0.00 N ATOM 885 CA SER A 62 -15.599 -51.527 2.442 1.00 0.00 C ATOM 886 C SER A 62 -16.692 -51.577 1.373 1.00 0.00 C ATOM 887 O SER A 62 -17.811 -52.009 1.644 1.00 0.00 O ATOM 888 CB SER A 62 -15.831 -52.619 3.489 1.00 0.00 C ATOM 889 OG SER A 62 -15.472 -53.910 3.003 1.00 0.00 O ATOM 0 H SER A 62 -14.658 -49.745 3.013 1.00 0.00 H new ATOM 0 HA SER A 62 -14.632 -51.710 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 62 -15.249 -52.394 4.383 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.880 -52.622 3.784 1.00 0.00 H new ATOM 0 HG SER A 62 -15.633 -54.579 3.701 1.00 0.00 H new ATOM 895 N SER A 63 -16.329 -51.128 0.180 1.00 0.00 N ATOM 896 CA SER A 63 -17.265 -51.116 -0.931 1.00 0.00 C ATOM 897 C SER A 63 -16.776 -52.052 -2.038 1.00 0.00 C ATOM 898 O SER A 63 -16.028 -51.637 -2.922 1.00 0.00 O ATOM 899 CB SER A 63 -17.451 -49.699 -1.478 1.00 0.00 C ATOM 900 OG SER A 63 -18.049 -49.701 -2.772 1.00 0.00 O ATOM 0 H SER A 63 -15.400 -50.770 -0.041 1.00 0.00 H new ATOM 0 HA SER A 63 -18.231 -51.467 -0.568 1.00 0.00 H new ATOM 0 HB2 SER A 63 -18.073 -49.124 -0.792 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.484 -49.199 -1.526 1.00 0.00 H new ATOM 0 HG SER A 63 -18.152 -48.778 -3.086 1.00 0.00 H new ATOM 906 N GLY A 64 -17.217 -53.299 -1.952 1.00 0.00 N ATOM 907 CA GLY A 64 -16.834 -54.297 -2.936 1.00 0.00 C ATOM 908 C GLY A 64 -17.351 -53.925 -4.326 1.00 0.00 C ATOM 909 O GLY A 64 -18.449 -53.387 -4.460 1.00 0.00 O ATOM 0 H GLY A 64 -17.836 -53.640 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.748 -54.390 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.230 -55.270 -2.645 1.00 0.00 H new TER 913 GLY A 64