USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 655 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 LYS NZ :NH3+ -171:sc= 0.847 (180deg=0) USER MOD Set 1.2: A 62 SER OG : rot 83:sc= 2.03 USER MOD Set 2.1: A 53 GLN : amide:sc= 0.692 K(o=1.7,f=-1.1) USER MOD Set 2.2: A 56 GLN : amide:sc= 1.05 K(o=1.7,f=-0.21) USER MOD Set 3.1: A 48 CYS SG : rot -61:sc= 0.93 USER MOD Set 3.2: A 54 SER OG : rot 160:sc= 1.35 USER MOD Set 4.1: A 12 GLN : amide:sc= 0.014 K(o=0.38,f=-0.67) USER MOD Set 4.2: A 47 TYR OH : rot 0:sc= 0.369 USER MOD Set 5.1: A 41 ASN : amide:sc= -0.0181 X(o=-0.11,f=0.1) USER MOD Set 5.2: A 67 THR OG1 : rot 159:sc= -0.0934 USER MOD Set 5.3: A 68 HIS : no HD1:sc= 0 X(o=-0.11,f=0.1) USER MOD Single : A 3 HIS : no HE2:sc= 0.79 K(o=0.79,f=-4.1!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.795 K(o=0.79,f=-0.024) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 17 HIS : no HE2:sc= 0.988 K(o=0.99,f=-3.6!) USER MOD Single : A 19 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.64) USER MOD Single : A 23 ASN : amide:sc= 1.82 K(o=1.8,f=-0.87) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 36:sc= 0.65 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.24) USER MOD Single : A 49 ASN : amide:sc=-0.00619 X(o=-0.0062,f=-0.0062) USER MOD Single : A 64 MET CE :methyl -166:sc= -0.0207 (180deg=-0.34) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.505 X(o=-0.51,f=-0.18) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 175:sc= 0 (180deg=-0.0346) USER MOD Single : A 82 LYS NZ :NH3+ 152:sc= 2.31 (180deg=1.12) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 1.760 1.689 -4.739 1.00 0.00 N ATOM 14 CA GLU A 2 0.959 2.803 -5.223 1.00 0.00 C ATOM 15 C GLU A 2 0.801 2.674 -6.742 1.00 0.00 C ATOM 16 O GLU A 2 1.568 1.955 -7.390 1.00 0.00 O ATOM 17 CB GLU A 2 1.640 4.127 -4.832 1.00 0.00 C ATOM 18 CG GLU A 2 3.011 4.420 -5.461 1.00 0.00 C ATOM 19 CD GLU A 2 4.179 3.628 -4.840 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.458 2.486 -5.275 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.863 4.180 -3.948 1.00 0.00 O ATOM 0 HA GLU A 2 -0.033 2.792 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.967 4.944 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.755 4.141 -3.748 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.963 4.197 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.220 5.486 -5.367 1.00 0.00 H new ATOM 28 N HIS A 3 -0.179 3.371 -7.320 1.00 0.00 N ATOM 29 CA HIS A 3 -0.383 3.382 -8.763 1.00 0.00 C ATOM 30 C HIS A 3 0.561 4.403 -9.397 1.00 0.00 C ATOM 31 O HIS A 3 0.311 5.607 -9.348 1.00 0.00 O ATOM 32 CB HIS A 3 -1.856 3.654 -9.096 1.00 0.00 C ATOM 33 CG HIS A 3 -2.707 2.415 -8.949 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.413 2.014 -7.836 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.893 1.451 -9.906 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.005 0.842 -8.116 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.713 0.449 -9.370 1.00 0.00 N ATOM 0 H HIS A 3 -0.848 3.940 -6.801 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.147 2.404 -9.181 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.238 4.436 -8.440 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.934 4.028 -10.117 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -3.475 2.520 -6.952 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.478 1.462 -10.903 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.630 0.290 -7.429 1.00 0.00 H new ATOM 45 N TRP A 4 1.666 3.925 -9.966 1.00 0.00 N ATOM 46 CA TRP A 4 2.540 4.737 -10.805 1.00 0.00 C ATOM 47 C TRP A 4 1.843 4.975 -12.143 1.00 0.00 C ATOM 48 O TRP A 4 1.157 4.077 -12.637 1.00 0.00 O ATOM 49 CB TRP A 4 3.864 4.005 -11.030 1.00 0.00 C ATOM 50 CG TRP A 4 4.713 3.870 -9.805 1.00 0.00 C ATOM 51 CD1 TRP A 4 4.527 2.975 -8.811 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.850 4.687 -9.389 1.00 0.00 C ATOM 53 NE1 TRP A 4 5.443 3.191 -7.808 1.00 0.00 N ATOM 54 CE2 TRP A 4 6.295 4.231 -8.111 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.541 5.779 -9.957 1.00 0.00 C ATOM 56 CZ2 TRP A 4 7.366 4.830 -7.432 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.631 6.371 -9.294 1.00 0.00 C ATOM 58 CH2 TRP A 4 8.044 5.903 -8.034 1.00 0.00 C ATOM 0 H TRP A 4 1.980 2.961 -9.857 1.00 0.00 H new ATOM 0 HA TRP A 4 2.746 5.691 -10.319 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.653 3.010 -11.422 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.432 4.535 -11.794 1.00 0.00 H new ATOM 0 HD1 TRP A 4 3.771 2.204 -8.805 1.00 0.00 H new ATOM 0 HE1 TRP A 4 5.486 2.648 -6.946 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.228 6.166 -10.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.666 4.471 -6.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.156 7.193 -9.757 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.880 6.367 -7.531 1.00 0.00 H new ATOM 69 N ILE A 5 2.035 6.145 -12.755 1.00 0.00 N ATOM 70 CA ILE A 5 1.428 6.518 -14.029 1.00 0.00 C ATOM 71 C ILE A 5 2.424 7.423 -14.766 1.00 0.00 C ATOM 72 O ILE A 5 3.068 8.283 -14.160 1.00 0.00 O ATOM 73 CB ILE A 5 0.052 7.202 -13.792 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.894 6.273 -12.990 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.609 7.603 -15.124 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.315 6.765 -12.764 1.00 0.00 C ATOM 0 H ILE A 5 2.632 6.875 -12.367 1.00 0.00 H new ATOM 0 HA ILE A 5 1.224 5.642 -14.645 1.00 0.00 H new ATOM 0 HB ILE A 5 0.232 8.107 -13.212 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.945 5.314 -13.506 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.441 6.087 -12.016 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.569 8.079 -14.925 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.038 8.300 -15.656 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.764 6.714 -15.735 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.870 6.022 -12.191 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.291 7.705 -12.213 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.803 6.921 -13.726 1.00 0.00 H new ATOM 88 N ASP A 6 2.546 7.217 -16.077 1.00 0.00 N ATOM 89 CA ASP A 6 3.263 8.089 -17.001 1.00 0.00 C ATOM 90 C ASP A 6 2.226 8.996 -17.643 1.00 0.00 C ATOM 91 O ASP A 6 1.265 8.490 -18.227 1.00 0.00 O ATOM 92 CB ASP A 6 3.921 7.252 -18.103 1.00 0.00 C ATOM 93 CG ASP A 6 4.326 8.067 -19.344 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.605 9.285 -19.255 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.388 7.439 -20.426 1.00 0.00 O ATOM 0 H ASP A 6 2.132 6.408 -16.540 1.00 0.00 H new ATOM 0 HA ASP A 6 4.032 8.655 -16.476 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.806 6.764 -17.696 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.233 6.463 -18.407 1.00 0.00 H new ATOM 100 N VAL A 7 2.416 10.310 -17.558 1.00 0.00 N ATOM 101 CA VAL A 7 1.434 11.281 -18.041 1.00 0.00 C ATOM 102 C VAL A 7 1.912 12.084 -19.259 1.00 0.00 C ATOM 103 O VAL A 7 1.274 13.077 -19.611 1.00 0.00 O ATOM 104 CB VAL A 7 0.887 12.138 -16.880 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.343 11.278 -15.726 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.947 13.099 -16.330 1.00 0.00 C ATOM 0 H VAL A 7 3.252 10.732 -17.154 1.00 0.00 H new ATOM 0 HA VAL A 7 0.585 10.720 -18.432 1.00 0.00 H new ATOM 0 HB VAL A 7 0.066 12.716 -17.303 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.030 11.927 -14.934 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.468 10.649 -16.092 1.00 0.00 H new ATOM 0 HG13 VAL A 7 1.142 10.649 -15.334 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.520 13.683 -15.515 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.799 12.528 -15.961 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.276 13.770 -17.123 1.00 0.00 H new ATOM 116 N ARG A 8 3.004 11.699 -19.933 1.00 0.00 N ATOM 117 CA ARG A 8 3.322 12.287 -21.240 1.00 0.00 C ATOM 118 C ARG A 8 2.649 11.441 -22.319 1.00 0.00 C ATOM 119 O ARG A 8 1.905 10.503 -22.032 1.00 0.00 O ATOM 120 CB ARG A 8 4.844 12.369 -21.500 1.00 0.00 C ATOM 121 CG ARG A 8 5.208 13.713 -22.167 1.00 0.00 C ATOM 122 CD ARG A 8 6.673 13.779 -22.626 1.00 0.00 C ATOM 123 NE ARG A 8 6.815 14.453 -23.936 1.00 0.00 N ATOM 124 CZ ARG A 8 7.301 13.923 -25.072 1.00 0.00 C ATOM 125 NH1 ARG A 8 7.849 12.715 -25.110 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.233 14.580 -26.220 1.00 0.00 N ATOM 0 H ARG A 8 3.669 10.999 -19.604 1.00 0.00 H new ATOM 0 HA ARG A 8 2.950 13.311 -21.258 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.385 12.265 -20.560 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.154 11.543 -22.140 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.556 13.874 -23.026 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.016 14.524 -21.465 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.263 14.310 -21.879 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.078 12.769 -22.692 1.00 0.00 H new ATOM 0 HE ARG A 8 6.511 15.426 -23.982 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.912 12.156 -24.259 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.207 12.345 -25.990 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.806 15.506 -26.253 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.608 14.160 -27.071 1.00 0.00 H new ATOM 140 N VAL A 9 2.933 11.770 -23.574 1.00 0.00 N ATOM 141 CA VAL A 9 2.615 10.932 -24.718 1.00 0.00 C ATOM 142 C VAL A 9 3.264 9.543 -24.562 1.00 0.00 C ATOM 143 O VAL A 9 4.316 9.429 -23.924 1.00 0.00 O ATOM 144 CB VAL A 9 3.129 11.617 -25.999 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.136 12.681 -26.484 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.521 12.253 -25.840 1.00 0.00 C ATOM 0 H VAL A 9 3.399 12.642 -23.826 1.00 0.00 H new ATOM 0 HA VAL A 9 1.535 10.799 -24.781 1.00 0.00 H new ATOM 0 HB VAL A 9 3.220 10.823 -26.740 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.520 13.151 -27.389 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.176 12.212 -26.698 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.006 13.437 -25.710 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.819 12.716 -26.781 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.488 13.010 -25.057 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.244 11.483 -25.570 1.00 0.00 H new ATOM 156 N PRO A 10 2.721 8.502 -25.219 1.00 0.00 N ATOM 157 CA PRO A 10 3.309 7.163 -25.218 1.00 0.00 C ATOM 158 C PRO A 10 4.681 7.098 -25.894 1.00 0.00 C ATOM 159 O PRO A 10 5.386 6.109 -25.712 1.00 0.00 O ATOM 160 CB PRO A 10 2.299 6.269 -25.938 1.00 0.00 C ATOM 161 CG PRO A 10 1.531 7.236 -26.834 1.00 0.00 C ATOM 162 CD PRO A 10 1.491 8.512 -26.002 1.00 0.00 C ATOM 0 HA PRO A 10 3.496 6.840 -24.194 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.796 5.493 -26.520 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.637 5.765 -25.234 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.036 7.391 -27.787 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.530 6.869 -27.060 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.438 9.395 -26.639 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.614 8.532 -25.355 1.00 0.00 H new ATOM 170 N GLU A 11 5.073 8.127 -26.651 1.00 0.00 N ATOM 171 CA GLU A 11 6.394 8.279 -27.257 1.00 0.00 C ATOM 172 C GLU A 11 7.499 7.966 -26.241 1.00 0.00 C ATOM 173 O GLU A 11 8.385 7.161 -26.524 1.00 0.00 O ATOM 174 CB GLU A 11 6.505 9.722 -27.782 1.00 0.00 C ATOM 175 CG GLU A 11 7.855 10.069 -28.423 1.00 0.00 C ATOM 176 CD GLU A 11 7.935 11.567 -28.770 1.00 0.00 C ATOM 177 OE1 GLU A 11 8.122 12.389 -27.841 1.00 0.00 O ATOM 178 OE2 GLU A 11 7.826 11.928 -29.964 1.00 0.00 O ATOM 0 H GLU A 11 4.452 8.907 -26.865 1.00 0.00 H new ATOM 0 HA GLU A 11 6.518 7.576 -28.080 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.716 9.889 -28.516 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.323 10.410 -26.956 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.663 9.807 -27.740 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.996 9.475 -29.326 1.00 0.00 H new ATOM 185 N GLN A 12 7.427 8.560 -25.041 1.00 0.00 N ATOM 186 CA GLN A 12 8.477 8.373 -24.041 1.00 0.00 C ATOM 187 C GLN A 12 8.450 6.941 -23.501 1.00 0.00 C ATOM 188 O GLN A 12 9.503 6.330 -23.333 1.00 0.00 O ATOM 189 CB GLN A 12 8.409 9.456 -22.948 1.00 0.00 C ATOM 190 CG GLN A 12 7.285 9.339 -21.898 1.00 0.00 C ATOM 191 CD GLN A 12 7.767 8.689 -20.591 1.00 0.00 C ATOM 192 OE1 GLN A 12 8.674 9.199 -19.941 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.192 7.574 -20.175 1.00 0.00 N ATOM 0 H GLN A 12 6.661 9.166 -24.746 1.00 0.00 H new ATOM 0 HA GLN A 12 9.451 8.503 -24.513 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.363 9.462 -22.420 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.311 10.424 -23.439 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.889 10.331 -21.682 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.465 8.752 -22.312 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.438 7.155 -20.720 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.502 7.133 -19.309 1.00 0.00 H new ATOM 202 N TYR A 13 7.248 6.381 -23.325 1.00 0.00 N ATOM 203 CA TYR A 13 7.018 5.027 -22.850 1.00 0.00 C ATOM 204 C TYR A 13 7.689 3.994 -23.764 1.00 0.00 C ATOM 205 O TYR A 13 8.135 2.952 -23.280 1.00 0.00 O ATOM 206 CB TYR A 13 5.497 4.809 -22.746 1.00 0.00 C ATOM 207 CG TYR A 13 5.021 3.656 -21.885 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.793 2.393 -22.463 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.703 3.875 -20.530 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.241 1.352 -21.695 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.157 2.838 -19.753 1.00 0.00 C ATOM 212 CZ TYR A 13 3.918 1.572 -20.335 1.00 0.00 C ATOM 213 OH TYR A 13 3.350 0.584 -19.588 1.00 0.00 O ATOM 0 H TYR A 13 6.382 6.883 -23.519 1.00 0.00 H new ATOM 0 HA TYR A 13 7.469 4.893 -21.867 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.050 5.725 -22.361 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.107 4.662 -23.753 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.043 2.223 -23.500 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.879 4.844 -20.086 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.064 0.385 -22.143 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.921 3.008 -18.713 1.00 0.00 H new ATOM 0 HH TYR A 13 3.197 0.910 -18.676 1.00 0.00 H new ATOM 223 N GLN A 14 7.801 4.280 -25.070 1.00 0.00 N ATOM 224 CA GLN A 14 8.493 3.392 -25.999 1.00 0.00 C ATOM 225 C GLN A 14 9.992 3.346 -25.690 1.00 0.00 C ATOM 226 O GLN A 14 10.596 2.275 -25.777 1.00 0.00 O ATOM 227 CB GLN A 14 8.297 3.822 -27.467 1.00 0.00 C ATOM 228 CG GLN A 14 6.850 4.048 -27.929 1.00 0.00 C ATOM 229 CD GLN A 14 5.868 2.987 -27.428 1.00 0.00 C ATOM 230 OE1 GLN A 14 5.906 1.831 -27.843 1.00 0.00 O ATOM 231 NE2 GLN A 14 4.974 3.355 -26.523 1.00 0.00 N ATOM 0 H GLN A 14 7.419 5.122 -25.501 1.00 0.00 H new ATOM 0 HA GLN A 14 8.057 2.402 -25.868 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.855 4.744 -27.629 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.745 3.062 -28.107 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.518 5.028 -27.586 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.825 4.067 -29.019 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.954 4.318 -26.188 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.305 2.675 -26.161 1.00 0.00 H new ATOM 240 N GLN A 15 10.593 4.491 -25.344 1.00 0.00 N ATOM 241 CA GLN A 15 12.030 4.599 -25.121 1.00 0.00 C ATOM 242 C GLN A 15 12.398 3.829 -23.856 1.00 0.00 C ATOM 243 O GLN A 15 13.244 2.939 -23.904 1.00 0.00 O ATOM 244 CB GLN A 15 12.464 6.072 -25.004 1.00 0.00 C ATOM 245 CG GLN A 15 12.086 6.912 -26.231 1.00 0.00 C ATOM 246 CD GLN A 15 12.597 8.348 -26.104 1.00 0.00 C ATOM 247 OE1 GLN A 15 11.968 9.195 -25.475 1.00 0.00 O ATOM 248 NE2 GLN A 15 13.744 8.658 -26.688 1.00 0.00 N ATOM 0 H GLN A 15 10.090 5.368 -25.212 1.00 0.00 H new ATOM 0 HA GLN A 15 12.555 4.170 -25.975 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.006 6.510 -24.117 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.544 6.116 -24.860 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.502 6.455 -27.129 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.002 6.919 -26.349 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.260 7.948 -27.208 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.112 9.607 -26.618 1.00 0.00 H new ATOM 257 N GLU A 16 11.735 4.145 -22.744 1.00 0.00 N ATOM 258 CA GLU A 16 11.810 3.440 -21.474 1.00 0.00 C ATOM 259 C GLU A 16 10.686 3.993 -20.590 1.00 0.00 C ATOM 260 O GLU A 16 10.289 5.152 -20.734 1.00 0.00 O ATOM 261 CB GLU A 16 13.193 3.592 -20.795 1.00 0.00 C ATOM 262 CG GLU A 16 13.634 5.053 -20.595 1.00 0.00 C ATOM 263 CD GLU A 16 14.983 5.204 -19.867 1.00 0.00 C ATOM 264 OE1 GLU A 16 16.001 4.634 -20.323 1.00 0.00 O ATOM 265 OE2 GLU A 16 15.035 5.933 -18.849 1.00 0.00 O ATOM 0 H GLU A 16 11.099 4.942 -22.708 1.00 0.00 H new ATOM 0 HA GLU A 16 11.687 2.369 -21.635 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.167 3.095 -19.825 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.941 3.077 -21.397 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.702 5.538 -21.569 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.866 5.580 -20.029 1.00 0.00 H new ATOM 272 N HIS A 17 10.188 3.190 -19.657 1.00 0.00 N ATOM 273 CA HIS A 17 9.165 3.588 -18.706 1.00 0.00 C ATOM 274 C HIS A 17 9.419 2.883 -17.384 1.00 0.00 C ATOM 275 O HIS A 17 9.910 1.752 -17.360 1.00 0.00 O ATOM 276 CB HIS A 17 7.766 3.255 -19.247 1.00 0.00 C ATOM 277 CG HIS A 17 7.564 1.825 -19.693 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.685 1.346 -20.979 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.148 0.778 -18.914 1.00 0.00 C ATOM 280 CE1 HIS A 17 7.346 0.048 -20.973 1.00 0.00 C ATOM 281 NE2 HIS A 17 7.012 -0.352 -19.733 1.00 0.00 N ATOM 0 H HIS A 17 10.493 2.224 -19.541 1.00 0.00 H new ATOM 0 HA HIS A 17 9.209 4.666 -18.551 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.033 3.483 -18.473 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.555 3.913 -20.090 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.981 1.884 -21.793 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.957 0.816 -17.852 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.342 -0.589 -21.845 1.00 0.00 H new ATOM 289 N VAL A 18 9.066 3.553 -16.287 1.00 0.00 N ATOM 290 CA VAL A 18 9.070 2.990 -14.941 1.00 0.00 C ATOM 291 C VAL A 18 8.224 1.712 -14.991 1.00 0.00 C ATOM 292 O VAL A 18 7.077 1.755 -15.440 1.00 0.00 O ATOM 293 CB VAL A 18 8.542 4.059 -13.959 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.512 3.543 -12.513 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.413 5.328 -14.007 1.00 0.00 C ATOM 0 H VAL A 18 8.762 4.526 -16.313 1.00 0.00 H new ATOM 0 HA VAL A 18 10.064 2.719 -14.587 1.00 0.00 H new ATOM 0 HB VAL A 18 7.525 4.293 -14.274 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.134 4.326 -11.855 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.860 2.671 -12.451 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.520 3.265 -12.205 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.021 6.065 -13.307 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.438 5.077 -13.733 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.398 5.741 -15.015 1.00 0.00 H new ATOM 305 N GLN A 19 8.786 0.578 -14.552 1.00 0.00 N ATOM 306 CA GLN A 19 8.208 -0.746 -14.799 1.00 0.00 C ATOM 307 C GLN A 19 6.760 -0.949 -14.317 1.00 0.00 C ATOM 308 O GLN A 19 6.064 -1.809 -14.858 1.00 0.00 O ATOM 309 CB GLN A 19 9.160 -1.846 -14.296 1.00 0.00 C ATOM 310 CG GLN A 19 9.524 -1.836 -12.806 1.00 0.00 C ATOM 311 CD GLN A 19 8.360 -2.133 -11.860 1.00 0.00 C ATOM 312 OE1 GLN A 19 7.742 -3.192 -11.917 1.00 0.00 O ATOM 313 NE2 GLN A 19 8.023 -1.199 -10.981 1.00 0.00 N ATOM 0 H GLN A 19 9.654 0.555 -14.016 1.00 0.00 H new ATOM 0 HA GLN A 19 8.111 -0.822 -15.882 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.711 -2.812 -14.527 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.085 -1.780 -14.869 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.311 -2.571 -12.634 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.939 -0.860 -12.554 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.544 -0.323 -10.943 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.243 -1.357 -10.343 1.00 0.00 H new ATOM 322 N GLY A 20 6.298 -0.177 -13.327 1.00 0.00 N ATOM 323 CA GLY A 20 4.968 -0.319 -12.735 1.00 0.00 C ATOM 324 C GLY A 20 3.990 0.756 -13.212 1.00 0.00 C ATOM 325 O GLY A 20 2.801 0.675 -12.896 1.00 0.00 O ATOM 0 H GLY A 20 6.848 0.574 -12.910 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.568 -1.303 -12.982 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.051 -0.272 -11.649 1.00 0.00 H new ATOM 329 N ALA A 21 4.470 1.764 -13.948 1.00 0.00 N ATOM 330 CA ALA A 21 3.621 2.789 -14.542 1.00 0.00 C ATOM 331 C ALA A 21 2.850 2.238 -15.739 1.00 0.00 C ATOM 332 O ALA A 21 3.119 1.149 -16.249 1.00 0.00 O ATOM 333 CB ALA A 21 4.471 3.996 -14.952 1.00 0.00 C ATOM 0 H ALA A 21 5.463 1.888 -14.146 1.00 0.00 H new ATOM 0 HA ALA A 21 2.891 3.108 -13.798 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.830 4.758 -15.395 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.968 4.406 -14.073 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.220 3.683 -15.680 1.00 0.00 H new ATOM 339 N ILE A 22 1.911 3.060 -16.196 1.00 0.00 N ATOM 340 CA ILE A 22 1.013 2.845 -17.314 1.00 0.00 C ATOM 341 C ILE A 22 0.869 4.215 -17.983 1.00 0.00 C ATOM 342 O ILE A 22 0.822 5.231 -17.284 1.00 0.00 O ATOM 343 CB ILE A 22 -0.337 2.272 -16.809 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.928 3.053 -15.604 1.00 0.00 C ATOM 345 CG2 ILE A 22 -0.172 0.779 -16.469 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.288 2.533 -15.124 1.00 0.00 C ATOM 0 H ILE A 22 1.749 3.965 -15.755 1.00 0.00 H new ATOM 0 HA ILE A 22 1.388 2.114 -18.030 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.057 2.389 -17.619 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.222 3.009 -14.775 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.030 4.102 -15.880 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.122 0.379 -16.114 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.140 0.235 -17.361 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.583 0.664 -15.691 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.630 3.133 -14.280 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.012 2.603 -15.936 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.191 1.493 -14.814 1.00 0.00 H new ATOM 358 N ASN A 23 0.868 4.265 -19.317 1.00 0.00 N ATOM 359 CA ASN A 23 0.779 5.529 -20.042 1.00 0.00 C ATOM 360 C ASN A 23 -0.670 6.015 -20.047 1.00 0.00 C ATOM 361 O ASN A 23 -1.539 5.353 -20.618 1.00 0.00 O ATOM 362 CB ASN A 23 1.312 5.395 -21.475 1.00 0.00 C ATOM 363 CG ASN A 23 1.167 6.734 -22.187 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.255 6.931 -22.981 1.00 0.00 O ATOM 365 ND2 ASN A 23 2.028 7.686 -21.884 1.00 0.00 N ATOM 0 H ASN A 23 0.928 3.441 -19.916 1.00 0.00 H new ATOM 0 HA ASN A 23 1.403 6.263 -19.533 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.358 5.088 -21.460 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.761 4.622 -22.011 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.942 8.607 -22.313 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.780 7.501 -21.220 1.00 0.00 H new ATOM 372 N ILE A 24 -0.924 7.165 -19.422 1.00 0.00 N ATOM 373 CA ILE A 24 -2.216 7.844 -19.374 1.00 0.00 C ATOM 374 C ILE A 24 -1.906 9.347 -19.506 1.00 0.00 C ATOM 375 O ILE A 24 -1.687 10.010 -18.491 1.00 0.00 O ATOM 376 CB ILE A 24 -3.003 7.498 -18.084 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.181 5.973 -17.890 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.376 8.191 -18.140 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.998 5.575 -16.657 1.00 0.00 C ATOM 0 H ILE A 24 -0.200 7.671 -18.912 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.871 7.518 -20.182 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.429 7.857 -17.230 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.663 5.562 -18.777 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.196 5.512 -17.820 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.940 7.955 -17.237 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.236 9.270 -18.209 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.926 7.840 -19.013 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.070 4.489 -16.603 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.508 5.951 -15.759 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.998 6.002 -16.730 1.00 0.00 H new ATOM 391 N PRO A 25 -1.803 9.882 -20.738 1.00 0.00 N ATOM 392 CA PRO A 25 -1.346 11.244 -20.992 1.00 0.00 C ATOM 393 C PRO A 25 -2.138 12.315 -20.237 1.00 0.00 C ATOM 394 O PRO A 25 -3.330 12.159 -19.966 1.00 0.00 O ATOM 395 CB PRO A 25 -1.445 11.444 -22.509 1.00 0.00 C ATOM 396 CG PRO A 25 -1.298 10.024 -23.048 1.00 0.00 C ATOM 397 CD PRO A 25 -2.037 9.199 -22.000 1.00 0.00 C ATOM 0 HA PRO A 25 -0.326 11.362 -20.625 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.397 11.889 -22.797 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.660 12.102 -22.882 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.743 9.917 -24.037 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.252 9.728 -23.135 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.102 9.141 -22.224 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.662 8.176 -21.969 1.00 0.00 H new ATOM 405 N LEU A 26 -1.484 13.449 -19.977 1.00 0.00 N ATOM 406 CA LEU A 26 -2.010 14.596 -19.239 1.00 0.00 C ATOM 407 C LEU A 26 -3.369 15.073 -19.765 1.00 0.00 C ATOM 408 O LEU A 26 -4.226 15.474 -18.979 1.00 0.00 O ATOM 409 CB LEU A 26 -0.963 15.726 -19.316 1.00 0.00 C ATOM 410 CG LEU A 26 -1.357 17.015 -18.567 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.413 16.779 -17.058 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.344 18.124 -18.859 1.00 0.00 C ATOM 0 H LEU A 26 -0.525 13.598 -20.292 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.185 14.298 -18.205 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.020 15.359 -18.910 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.786 15.969 -20.364 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.346 17.313 -18.916 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.693 17.705 -16.555 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.152 16.008 -16.837 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.434 16.456 -16.704 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.632 19.030 -18.325 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.646 17.808 -18.530 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.324 18.325 -19.930 1.00 0.00 H new ATOM 424 N LYS A 27 -3.587 15.005 -21.084 1.00 0.00 N ATOM 425 CA LYS A 27 -4.839 15.426 -21.720 1.00 0.00 C ATOM 426 C LYS A 27 -6.034 14.559 -21.309 1.00 0.00 C ATOM 427 O LYS A 27 -7.175 14.964 -21.530 1.00 0.00 O ATOM 428 CB LYS A 27 -4.690 15.398 -23.252 1.00 0.00 C ATOM 429 CG LYS A 27 -3.579 16.331 -23.758 1.00 0.00 C ATOM 430 CD LYS A 27 -3.544 16.370 -25.291 1.00 0.00 C ATOM 431 CE LYS A 27 -2.427 17.308 -25.770 1.00 0.00 C ATOM 432 NZ LYS A 27 -2.358 17.390 -27.251 1.00 0.00 N ATOM 0 H LYS A 27 -2.893 14.653 -21.744 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.038 16.442 -21.378 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.477 14.379 -23.573 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.636 15.685 -23.710 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.740 17.337 -23.369 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.615 15.993 -23.378 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.380 15.367 -25.684 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.505 16.710 -25.676 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.592 18.305 -25.360 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.470 16.958 -25.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.590 18.034 -27.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.175 16.444 -27.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.261 17.749 -27.621 1.00 0.00 H new ATOM 446 N GLU A 28 -5.795 13.377 -20.738 1.00 0.00 N ATOM 447 CA GLU A 28 -6.805 12.350 -20.508 1.00 0.00 C ATOM 448 C GLU A 28 -6.817 11.875 -19.048 1.00 0.00 C ATOM 449 O GLU A 28 -7.843 11.389 -18.570 1.00 0.00 O ATOM 450 CB GLU A 28 -6.524 11.189 -21.477 1.00 0.00 C ATOM 451 CG GLU A 28 -6.725 11.579 -22.951 1.00 0.00 C ATOM 452 CD GLU A 28 -6.729 10.343 -23.867 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.659 9.511 -23.749 1.00 0.00 O ATOM 454 OE2 GLU A 28 -5.823 10.207 -24.721 1.00 0.00 O ATOM 0 H GLU A 28 -4.867 13.103 -20.415 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.797 12.762 -20.695 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.500 10.843 -21.334 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.180 10.353 -21.235 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.666 12.117 -23.061 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.931 12.259 -23.260 1.00 0.00 H new ATOM 461 N VAL A 29 -5.712 12.056 -18.317 1.00 0.00 N ATOM 462 CA VAL A 29 -5.534 11.644 -16.922 1.00 0.00 C ATOM 463 C VAL A 29 -6.721 12.053 -16.035 1.00 0.00 C ATOM 464 O VAL A 29 -7.138 11.268 -15.186 1.00 0.00 O ATOM 465 CB VAL A 29 -4.156 12.138 -16.397 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.140 13.601 -15.926 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.644 11.235 -15.266 1.00 0.00 C ATOM 0 H VAL A 29 -4.883 12.513 -18.698 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.524 10.555 -16.875 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.493 12.082 -17.260 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.140 13.860 -15.577 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.415 14.253 -16.755 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.853 13.729 -15.112 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.679 11.602 -14.916 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.357 11.245 -14.441 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.532 10.216 -15.636 1.00 0.00 H new ATOM 477 N LYS A 30 -7.310 13.234 -16.275 1.00 0.00 N ATOM 478 CA LYS A 30 -8.435 13.769 -15.506 1.00 0.00 C ATOM 479 C LYS A 30 -9.616 12.798 -15.453 1.00 0.00 C ATOM 480 O LYS A 30 -10.318 12.760 -14.446 1.00 0.00 O ATOM 481 CB LYS A 30 -8.857 15.122 -16.109 1.00 0.00 C ATOM 482 CG LYS A 30 -9.825 15.887 -15.189 1.00 0.00 C ATOM 483 CD LYS A 30 -10.089 17.324 -15.659 1.00 0.00 C ATOM 484 CE LYS A 30 -10.821 17.369 -17.010 1.00 0.00 C ATOM 485 NZ LYS A 30 -11.130 18.758 -17.434 1.00 0.00 N ATOM 0 H LYS A 30 -7.008 13.854 -17.026 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.111 13.911 -14.475 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.971 15.731 -16.289 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.331 14.956 -17.076 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.771 15.348 -15.137 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.416 15.910 -14.179 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.683 17.846 -14.909 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.142 17.857 -15.743 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.207 16.887 -17.770 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.747 16.798 -16.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.623 18.740 -18.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.738 19.211 -16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.246 19.297 -17.528 1.00 0.00 H new ATOM 499 N GLU A 31 -9.838 12.015 -16.510 1.00 0.00 N ATOM 500 CA GLU A 31 -10.957 11.083 -16.587 1.00 0.00 C ATOM 501 C GLU A 31 -10.461 9.654 -16.372 1.00 0.00 C ATOM 502 O GLU A 31 -11.050 8.906 -15.591 1.00 0.00 O ATOM 503 CB GLU A 31 -11.660 11.221 -17.947 1.00 0.00 C ATOM 504 CG GLU A 31 -12.334 12.592 -18.117 1.00 0.00 C ATOM 505 CD GLU A 31 -13.107 12.678 -19.445 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.306 12.316 -19.482 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.535 13.129 -20.463 1.00 0.00 O ATOM 0 H GLU A 31 -9.243 12.012 -17.338 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.677 11.317 -15.803 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.933 11.074 -18.746 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.409 10.435 -18.048 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.016 12.769 -17.285 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.579 13.377 -18.083 1.00 0.00 H new ATOM 514 N ARG A 32 -9.354 9.268 -17.021 1.00 0.00 N ATOM 515 CA ARG A 32 -8.869 7.883 -16.989 1.00 0.00 C ATOM 516 C ARG A 32 -8.391 7.468 -15.599 1.00 0.00 C ATOM 517 O ARG A 32 -8.338 6.269 -15.322 1.00 0.00 O ATOM 518 CB ARG A 32 -7.751 7.671 -18.023 1.00 0.00 C ATOM 519 CG ARG A 32 -8.231 7.403 -19.458 1.00 0.00 C ATOM 520 CD ARG A 32 -8.997 8.582 -20.065 1.00 0.00 C ATOM 521 NE ARG A 32 -9.101 8.476 -21.529 1.00 0.00 N ATOM 522 CZ ARG A 32 -10.028 7.836 -22.246 1.00 0.00 C ATOM 523 NH1 ARG A 32 -11.017 7.159 -21.668 1.00 0.00 N ATOM 524 NH2 ARG A 32 -9.923 7.900 -23.566 1.00 0.00 N ATOM 0 H ARG A 32 -8.776 9.899 -17.576 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.715 7.246 -17.246 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.112 8.554 -18.029 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.134 6.833 -17.701 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.370 7.175 -20.086 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.871 6.521 -19.462 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.997 8.626 -19.633 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.495 9.514 -19.804 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.374 8.951 -22.063 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.081 7.119 -20.651 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.711 6.680 -22.242 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.157 8.422 -23.992 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.608 7.427 -24.156 1.00 0.00 H new ATOM 538 N ILE A 33 -8.077 8.416 -14.709 1.00 0.00 N ATOM 539 CA ILE A 33 -7.747 8.096 -13.327 1.00 0.00 C ATOM 540 C ILE A 33 -8.864 7.275 -12.667 1.00 0.00 C ATOM 541 O ILE A 33 -8.555 6.375 -11.892 1.00 0.00 O ATOM 542 CB ILE A 33 -7.398 9.380 -12.541 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.785 9.056 -11.162 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.612 10.322 -12.397 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.388 8.432 -11.248 1.00 0.00 C ATOM 0 H ILE A 33 -8.046 9.412 -14.928 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.858 7.466 -13.314 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.645 9.907 -13.126 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.730 9.971 -10.573 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.447 8.374 -10.630 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.319 11.211 -11.838 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.964 10.615 -13.386 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.412 9.806 -11.865 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.017 8.230 -10.243 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.440 7.499 -11.810 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.712 9.122 -11.752 1.00 0.00 H new ATOM 557 N ALA A 34 -10.140 7.520 -13.000 1.00 0.00 N ATOM 558 CA ALA A 34 -11.257 6.832 -12.363 1.00 0.00 C ATOM 559 C ALA A 34 -11.209 5.325 -12.634 1.00 0.00 C ATOM 560 O ALA A 34 -11.476 4.528 -11.735 1.00 0.00 O ATOM 561 CB ALA A 34 -12.581 7.429 -12.854 1.00 0.00 C ATOM 0 H ALA A 34 -10.418 8.195 -13.712 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.180 6.973 -11.285 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.413 6.912 -12.376 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.618 8.489 -12.601 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.654 7.311 -13.935 1.00 0.00 H new ATOM 567 N THR A 35 -10.856 4.928 -13.857 1.00 0.00 N ATOM 568 CA THR A 35 -10.709 3.530 -14.236 1.00 0.00 C ATOM 569 C THR A 35 -9.375 2.957 -13.733 1.00 0.00 C ATOM 570 O THR A 35 -9.330 1.801 -13.309 1.00 0.00 O ATOM 571 CB THR A 35 -10.863 3.409 -15.769 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.381 4.555 -16.458 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.342 3.275 -16.145 1.00 0.00 C ATOM 0 H THR A 35 -10.663 5.579 -14.618 1.00 0.00 H new ATOM 0 HA THR A 35 -11.490 2.935 -13.763 1.00 0.00 H new ATOM 0 HB THR A 35 -10.283 2.532 -16.057 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.594 4.909 -15.993 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.436 3.191 -17.228 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.758 2.384 -15.674 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.886 4.155 -15.801 1.00 0.00 H new ATOM 581 N ALA A 36 -8.295 3.750 -13.749 1.00 0.00 N ATOM 582 CA ALA A 36 -6.972 3.294 -13.335 1.00 0.00 C ATOM 583 C ALA A 36 -6.886 3.076 -11.818 1.00 0.00 C ATOM 584 O ALA A 36 -6.198 2.159 -11.371 1.00 0.00 O ATOM 585 CB ALA A 36 -5.923 4.317 -13.782 1.00 0.00 C ATOM 0 H ALA A 36 -8.320 4.724 -14.050 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.782 2.331 -13.809 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.933 3.981 -13.475 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.952 4.417 -14.867 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.137 5.282 -13.323 1.00 0.00 H new ATOM 591 N VAL A 37 -7.569 3.912 -11.034 1.00 0.00 N ATOM 592 CA VAL A 37 -7.456 4.004 -9.584 1.00 0.00 C ATOM 593 C VAL A 37 -8.882 4.194 -9.027 1.00 0.00 C ATOM 594 O VAL A 37 -9.289 5.317 -8.730 1.00 0.00 O ATOM 595 CB VAL A 37 -6.467 5.117 -9.182 1.00 0.00 C ATOM 596 CG1 VAL A 37 -6.179 5.078 -7.674 1.00 0.00 C ATOM 597 CG2 VAL A 37 -5.120 5.036 -9.920 1.00 0.00 C ATOM 0 H VAL A 37 -8.247 4.573 -11.414 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.037 3.096 -9.150 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.959 6.048 -9.463 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.479 5.873 -7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.108 5.220 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.745 4.113 -7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.474 5.849 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.642 4.081 -9.702 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.288 5.121 -10.994 1.00 0.00 H new ATOM 607 N PRO A 38 -9.680 3.115 -8.913 1.00 0.00 N ATOM 608 CA PRO A 38 -11.103 3.187 -8.572 1.00 0.00 C ATOM 609 C PRO A 38 -11.391 3.540 -7.096 1.00 0.00 C ATOM 610 O PRO A 38 -12.542 3.454 -6.661 1.00 0.00 O ATOM 611 CB PRO A 38 -11.678 1.828 -8.992 1.00 0.00 C ATOM 612 CG PRO A 38 -10.497 0.876 -8.827 1.00 0.00 C ATOM 613 CD PRO A 38 -9.306 1.742 -9.228 1.00 0.00 C ATOM 0 HA PRO A 38 -11.583 4.013 -9.097 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.519 1.537 -8.363 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.039 1.845 -10.020 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.408 0.516 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.592 -0.002 -9.466 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.409 1.448 -8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.084 1.632 -10.290 1.00 0.00 H new ATOM 621 N ASP A 39 -10.386 3.956 -6.321 1.00 0.00 N ATOM 622 CA ASP A 39 -10.529 4.492 -4.969 1.00 0.00 C ATOM 623 C ASP A 39 -9.587 5.684 -4.856 1.00 0.00 C ATOM 624 O ASP A 39 -8.368 5.513 -4.822 1.00 0.00 O ATOM 625 CB ASP A 39 -10.194 3.435 -3.906 1.00 0.00 C ATOM 626 CG ASP A 39 -10.075 4.035 -2.489 1.00 0.00 C ATOM 627 OD1 ASP A 39 -10.567 5.159 -2.239 1.00 0.00 O ATOM 628 OD2 ASP A 39 -9.500 3.358 -1.607 1.00 0.00 O ATOM 0 H ASP A 39 -9.415 3.927 -6.632 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.562 4.793 -4.793 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.967 2.666 -3.907 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.257 2.945 -4.169 1.00 0.00 H new ATOM 633 N LYS A 40 -10.144 6.899 -4.825 1.00 0.00 N ATOM 634 CA LYS A 40 -9.351 8.126 -4.817 1.00 0.00 C ATOM 635 C LYS A 40 -8.463 8.285 -3.580 1.00 0.00 C ATOM 636 O LYS A 40 -7.568 9.133 -3.594 1.00 0.00 O ATOM 637 CB LYS A 40 -10.233 9.349 -5.098 1.00 0.00 C ATOM 638 CG LYS A 40 -11.022 9.799 -3.871 1.00 0.00 C ATOM 639 CD LYS A 40 -11.951 10.963 -4.221 1.00 0.00 C ATOM 640 CE LYS A 40 -12.402 11.545 -2.885 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.398 12.635 -3.036 1.00 0.00 N ATOM 0 H LYS A 40 -11.152 7.056 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.638 8.045 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.607 10.171 -5.445 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.927 9.114 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.607 8.965 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.334 10.101 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.432 11.712 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.804 10.621 -4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.831 10.750 -2.274 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.533 11.926 -2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.667 12.992 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.984 13.409 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -14.241 12.270 -3.523 1.00 0.00 H new ATOM 655 N ASN A 41 -8.697 7.509 -2.517 1.00 0.00 N ATOM 656 CA ASN A 41 -7.850 7.547 -1.331 1.00 0.00 C ATOM 657 C ASN A 41 -6.546 6.764 -1.532 1.00 0.00 C ATOM 658 O ASN A 41 -5.622 6.910 -0.732 1.00 0.00 O ATOM 659 CB ASN A 41 -8.613 7.015 -0.111 1.00 0.00 C ATOM 660 CG ASN A 41 -7.849 7.294 1.182 1.00 0.00 C ATOM 661 OD1 ASN A 41 -7.600 8.444 1.533 1.00 0.00 O ATOM 662 ND2 ASN A 41 -7.487 6.266 1.934 1.00 0.00 N ATOM 0 H ASN A 41 -9.470 6.846 -2.458 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.581 8.588 -1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.597 7.481 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.773 5.942 -0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.997 6.426 2.814 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.699 5.315 1.633 1.00 0.00 H new ATOM 669 N ASP A 42 -6.453 5.910 -2.558 1.00 0.00 N ATOM 670 CA ASP A 42 -5.237 5.142 -2.824 1.00 0.00 C ATOM 671 C ASP A 42 -4.100 6.067 -3.272 1.00 0.00 C ATOM 672 O ASP A 42 -4.338 7.116 -3.878 1.00 0.00 O ATOM 673 CB ASP A 42 -5.487 4.060 -3.880 1.00 0.00 C ATOM 674 CG ASP A 42 -4.242 3.183 -4.096 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.594 2.792 -3.098 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.934 2.861 -5.263 1.00 0.00 O ATOM 0 H ASP A 42 -7.210 5.735 -3.219 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.944 4.651 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.324 3.435 -3.570 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.771 4.529 -4.822 1.00 0.00 H new ATOM 681 N THR A 43 -2.861 5.685 -2.972 1.00 0.00 N ATOM 682 CA THR A 43 -1.670 6.433 -3.337 1.00 0.00 C ATOM 683 C THR A 43 -1.453 6.351 -4.855 1.00 0.00 C ATOM 684 O THR A 43 -1.632 5.291 -5.464 1.00 0.00 O ATOM 685 CB THR A 43 -0.474 5.878 -2.542 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.833 5.706 -1.179 1.00 0.00 O ATOM 687 CG2 THR A 43 0.751 6.798 -2.602 1.00 0.00 C ATOM 0 H THR A 43 -2.657 4.828 -2.457 1.00 0.00 H new ATOM 0 HA THR A 43 -1.782 7.488 -3.086 1.00 0.00 H new ATOM 0 HB THR A 43 -0.212 4.925 -3.001 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.067 5.351 -0.681 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.565 6.359 -2.025 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.065 6.918 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.495 7.772 -2.185 1.00 0.00 H new ATOM 695 N VAL A 44 -1.008 7.451 -5.463 1.00 0.00 N ATOM 696 CA VAL A 44 -0.725 7.551 -6.890 1.00 0.00 C ATOM 697 C VAL A 44 0.606 8.289 -7.020 1.00 0.00 C ATOM 698 O VAL A 44 0.894 9.196 -6.237 1.00 0.00 O ATOM 699 CB VAL A 44 -1.880 8.287 -7.616 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.687 8.363 -9.140 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.247 7.635 -7.357 1.00 0.00 C ATOM 0 H VAL A 44 -0.830 8.320 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.650 6.570 -7.359 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.857 9.293 -7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.530 8.890 -9.588 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.764 8.898 -9.364 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.630 7.355 -9.550 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.021 8.189 -7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.231 6.604 -7.711 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.460 7.649 -6.288 1.00 0.00 H new ATOM 711 N LYS A 45 1.415 7.932 -8.014 1.00 0.00 N ATOM 712 CA LYS A 45 2.656 8.628 -8.324 1.00 0.00 C ATOM 713 C LYS A 45 2.661 8.912 -9.809 1.00 0.00 C ATOM 714 O LYS A 45 2.333 8.033 -10.604 1.00 0.00 O ATOM 715 CB LYS A 45 3.875 7.797 -7.890 1.00 0.00 C ATOM 716 CG LYS A 45 4.197 8.073 -6.415 1.00 0.00 C ATOM 717 CD LYS A 45 5.395 7.258 -5.920 1.00 0.00 C ATOM 718 CE LYS A 45 5.576 7.489 -4.413 1.00 0.00 C ATOM 719 NZ LYS A 45 6.434 6.459 -3.782 1.00 0.00 N ATOM 0 H LYS A 45 1.224 7.143 -8.632 1.00 0.00 H new ATOM 0 HA LYS A 45 2.720 9.567 -7.773 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.673 6.736 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.735 8.045 -8.512 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.403 9.135 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.324 7.840 -5.805 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.237 6.198 -6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.297 7.553 -6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.015 8.473 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.599 7.491 -3.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.623 6.722 -2.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.949 5.539 -3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.333 6.391 -4.300 1.00 0.00 H new ATOM 733 N VAL A 46 3.040 10.127 -10.183 1.00 0.00 N ATOM 734 CA VAL A 46 3.053 10.559 -11.572 1.00 0.00 C ATOM 735 C VAL A 46 4.468 10.995 -11.932 1.00 0.00 C ATOM 736 O VAL A 46 5.124 11.692 -11.152 1.00 0.00 O ATOM 737 CB VAL A 46 1.986 11.651 -11.825 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.571 11.056 -11.783 1.00 0.00 C ATOM 739 CG2 VAL A 46 2.034 12.831 -10.838 1.00 0.00 C ATOM 0 H VAL A 46 3.349 10.844 -9.526 1.00 0.00 H new ATOM 0 HA VAL A 46 2.780 9.735 -12.231 1.00 0.00 H new ATOM 0 HB VAL A 46 2.225 12.039 -12.815 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.160 11.844 -11.964 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.476 10.289 -12.552 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.392 10.612 -10.804 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.252 13.548 -11.090 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.877 12.464 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.007 13.318 -10.901 1.00 0.00 H new ATOM 749 N TYR A 47 4.923 10.603 -13.122 1.00 0.00 N ATOM 750 CA TYR A 47 6.133 11.100 -13.756 1.00 0.00 C ATOM 751 C TYR A 47 5.805 11.348 -15.236 1.00 0.00 C ATOM 752 O TYR A 47 4.752 10.938 -15.735 1.00 0.00 O ATOM 753 CB TYR A 47 7.335 10.154 -13.560 1.00 0.00 C ATOM 754 CG TYR A 47 7.398 9.028 -14.570 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.506 7.948 -14.469 1.00 0.00 C ATOM 756 CD2 TYR A 47 8.277 9.116 -15.667 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.488 6.962 -15.467 1.00 0.00 C ATOM 758 CE2 TYR A 47 8.258 8.133 -16.667 1.00 0.00 C ATOM 759 CZ TYR A 47 7.365 7.048 -16.569 1.00 0.00 C ATOM 760 OH TYR A 47 7.348 6.095 -17.544 1.00 0.00 O ATOM 0 H TYR A 47 4.438 9.906 -13.687 1.00 0.00 H new ATOM 0 HA TYR A 47 6.446 12.032 -13.286 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.256 10.735 -13.619 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.291 9.728 -12.558 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.836 7.877 -13.625 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.968 9.943 -15.738 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.800 6.133 -15.391 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.927 8.208 -17.511 1.00 0.00 H new ATOM 0 HH TYR A 47 6.669 5.422 -17.331 1.00 0.00 H new ATOM 770 N CYS A 48 6.707 12.023 -15.939 1.00 0.00 N ATOM 771 CA CYS A 48 6.690 12.195 -17.385 1.00 0.00 C ATOM 772 C CYS A 48 8.145 12.385 -17.824 1.00 0.00 C ATOM 773 O CYS A 48 9.042 12.356 -16.982 1.00 0.00 O ATOM 774 CB CYS A 48 5.807 13.401 -17.742 1.00 0.00 C ATOM 775 SG CYS A 48 6.503 14.919 -17.039 1.00 0.00 S ATOM 0 H CYS A 48 7.503 12.484 -15.498 1.00 0.00 H new ATOM 0 HA CYS A 48 6.268 11.333 -17.902 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.730 13.496 -18.825 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.797 13.246 -17.363 1.00 0.00 H new ATOM 0 HG CYS A 48 6.551 14.815 -15.744 1.00 0.00 H new ATOM 781 N ASN A 49 8.410 12.648 -19.104 1.00 0.00 N ATOM 782 CA ASN A 49 9.787 12.789 -19.592 1.00 0.00 C ATOM 783 C ASN A 49 10.579 13.911 -18.895 1.00 0.00 C ATOM 784 O ASN A 49 11.797 13.789 -18.768 1.00 0.00 O ATOM 785 CB ASN A 49 9.796 13.017 -21.111 1.00 0.00 C ATOM 786 CG ASN A 49 11.225 13.018 -21.658 1.00 0.00 C ATOM 787 OD1 ASN A 49 11.948 12.035 -21.535 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.658 14.104 -22.279 1.00 0.00 N ATOM 0 H ASN A 49 7.694 12.768 -19.821 1.00 0.00 H new ATOM 0 HA ASN A 49 10.288 11.853 -19.348 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.215 12.236 -21.603 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.314 13.967 -21.342 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.603 14.130 -22.662 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.047 14.915 -22.375 1.00 0.00 H new ATOM 795 N ALA A 50 9.916 14.983 -18.427 1.00 0.00 N ATOM 796 CA ALA A 50 10.586 16.208 -17.968 1.00 0.00 C ATOM 797 C ALA A 50 10.054 16.773 -16.636 1.00 0.00 C ATOM 798 O ALA A 50 10.389 17.902 -16.277 1.00 0.00 O ATOM 799 CB ALA A 50 10.493 17.251 -19.092 1.00 0.00 C ATOM 0 H ALA A 50 8.899 15.022 -18.357 1.00 0.00 H new ATOM 0 HA ALA A 50 11.623 15.953 -17.751 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.984 18.171 -18.776 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.984 16.867 -19.986 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.445 17.456 -19.313 1.00 0.00 H new ATOM 805 N GLY A 51 9.210 16.040 -15.903 1.00 0.00 N ATOM 806 CA GLY A 51 8.700 16.422 -14.581 1.00 0.00 C ATOM 807 C GLY A 51 7.549 17.435 -14.617 1.00 0.00 C ATOM 808 O GLY A 51 6.690 17.424 -13.733 1.00 0.00 O ATOM 0 H GLY A 51 8.852 15.139 -16.221 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.363 15.525 -14.062 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.519 16.841 -13.996 1.00 0.00 H new ATOM 812 N ARG A 52 7.496 18.301 -15.635 1.00 0.00 N ATOM 813 CA ARG A 52 6.475 19.339 -15.767 1.00 0.00 C ATOM 814 C ARG A 52 5.082 18.736 -15.895 1.00 0.00 C ATOM 815 O ARG A 52 4.183 19.149 -15.166 1.00 0.00 O ATOM 816 CB ARG A 52 6.818 20.256 -16.961 1.00 0.00 C ATOM 817 CG ARG A 52 5.726 21.272 -17.347 1.00 0.00 C ATOM 818 CD ARG A 52 5.318 22.212 -16.204 1.00 0.00 C ATOM 819 NE ARG A 52 4.258 23.143 -16.633 1.00 0.00 N ATOM 820 CZ ARG A 52 3.431 23.817 -15.823 1.00 0.00 C ATOM 821 NH1 ARG A 52 3.515 23.684 -14.501 1.00 0.00 N ATOM 822 NH2 ARG A 52 2.510 24.620 -16.345 1.00 0.00 N ATOM 0 H ARG A 52 8.172 18.298 -16.399 1.00 0.00 H new ATOM 0 HA ARG A 52 6.468 19.944 -14.860 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.732 20.802 -16.728 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.032 19.631 -17.828 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.080 21.870 -18.187 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.845 20.730 -17.691 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.969 21.626 -15.354 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.187 22.777 -15.866 1.00 0.00 H new ATOM 0 HE ARG A 52 4.144 23.287 -17.636 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.215 23.063 -14.094 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.879 24.203 -13.895 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.436 24.721 -17.357 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.877 25.136 -15.733 1.00 0.00 H new ATOM 836 N GLN A 53 4.882 17.781 -16.805 1.00 0.00 N ATOM 837 CA GLN A 53 3.545 17.250 -17.060 1.00 0.00 C ATOM 838 C GLN A 53 3.057 16.428 -15.867 1.00 0.00 C ATOM 839 O GLN A 53 1.867 16.461 -15.568 1.00 0.00 O ATOM 840 CB GLN A 53 3.485 16.458 -18.381 1.00 0.00 C ATOM 841 CG GLN A 53 3.983 17.223 -19.622 1.00 0.00 C ATOM 842 CD GLN A 53 3.145 18.458 -19.963 1.00 0.00 C ATOM 843 OE1 GLN A 53 3.075 19.416 -19.197 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.486 18.474 -21.111 1.00 0.00 N ATOM 0 H GLN A 53 5.621 17.364 -17.371 1.00 0.00 H new ATOM 0 HA GLN A 53 2.863 18.092 -17.180 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.078 15.550 -18.270 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.455 16.147 -18.554 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.016 17.530 -19.458 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.983 16.548 -20.478 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.546 17.677 -21.745 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.918 19.283 -21.362 1.00 0.00 H new ATOM 853 N SER A 54 3.943 15.753 -15.130 1.00 0.00 N ATOM 854 CA SER A 54 3.590 15.127 -13.862 1.00 0.00 C ATOM 855 C SER A 54 3.232 16.183 -12.819 1.00 0.00 C ATOM 856 O SER A 54 2.313 15.969 -12.034 1.00 0.00 O ATOM 857 CB SER A 54 4.711 14.194 -13.394 1.00 0.00 C ATOM 858 OG SER A 54 5.984 14.544 -13.923 1.00 0.00 O ATOM 0 H SER A 54 4.919 15.628 -15.397 1.00 0.00 H new ATOM 0 HA SER A 54 2.702 14.512 -14.005 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.759 14.211 -12.305 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.471 13.172 -13.686 1.00 0.00 H new ATOM 0 HG SER A 54 6.689 14.147 -13.369 1.00 0.00 H new ATOM 864 N GLY A 55 3.907 17.334 -12.821 1.00 0.00 N ATOM 865 CA GLY A 55 3.544 18.491 -12.014 1.00 0.00 C ATOM 866 C GLY A 55 2.097 18.898 -12.288 1.00 0.00 C ATOM 867 O GLY A 55 1.283 18.974 -11.366 1.00 0.00 O ATOM 0 H GLY A 55 4.736 17.487 -13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.669 18.259 -10.956 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.211 19.323 -12.239 1.00 0.00 H new ATOM 871 N GLN A 56 1.753 19.080 -13.565 1.00 0.00 N ATOM 872 CA GLN A 56 0.403 19.451 -13.973 1.00 0.00 C ATOM 873 C GLN A 56 -0.608 18.370 -13.586 1.00 0.00 C ATOM 874 O GLN A 56 -1.651 18.686 -13.018 1.00 0.00 O ATOM 875 CB GLN A 56 0.343 19.696 -15.485 1.00 0.00 C ATOM 876 CG GLN A 56 1.282 20.819 -15.958 1.00 0.00 C ATOM 877 CD GLN A 56 0.711 21.586 -17.154 1.00 0.00 C ATOM 878 OE1 GLN A 56 -0.201 22.396 -17.008 1.00 0.00 O ATOM 879 NE2 GLN A 56 1.223 21.371 -18.355 1.00 0.00 N ATOM 0 H GLN A 56 2.405 18.974 -14.342 1.00 0.00 H new ATOM 0 HA GLN A 56 0.143 20.372 -13.451 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.600 18.774 -16.006 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.680 19.946 -15.765 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.460 21.512 -15.136 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.248 20.392 -16.230 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.980 20.698 -18.474 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.861 21.878 -19.162 1.00 0.00 H new ATOM 888 N ALA A 57 -0.304 17.096 -13.852 1.00 0.00 N ATOM 889 CA ALA A 57 -1.202 15.998 -13.516 1.00 0.00 C ATOM 890 C ALA A 57 -1.442 15.934 -12.013 1.00 0.00 C ATOM 891 O ALA A 57 -2.549 15.610 -11.590 1.00 0.00 O ATOM 892 CB ALA A 57 -0.646 14.664 -14.016 1.00 0.00 C ATOM 0 H ALA A 57 0.563 16.803 -14.302 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.154 16.185 -14.013 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.335 13.861 -13.753 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.529 14.701 -15.099 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.323 14.477 -13.553 1.00 0.00 H new ATOM 898 N LYS A 58 -0.437 16.270 -11.202 1.00 0.00 N ATOM 899 CA LYS A 58 -0.604 16.257 -9.751 1.00 0.00 C ATOM 900 C LYS A 58 -1.664 17.285 -9.372 1.00 0.00 C ATOM 901 O LYS A 58 -2.545 16.972 -8.571 1.00 0.00 O ATOM 902 CB LYS A 58 0.749 16.460 -9.034 1.00 0.00 C ATOM 903 CG LYS A 58 0.725 16.005 -7.563 1.00 0.00 C ATOM 904 CD LYS A 58 0.206 17.057 -6.570 1.00 0.00 C ATOM 905 CE LYS A 58 -0.234 16.368 -5.270 1.00 0.00 C ATOM 906 NZ LYS A 58 -0.932 17.300 -4.351 1.00 0.00 N ATOM 0 H LYS A 58 0.490 16.551 -11.522 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.957 15.282 -9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.523 15.907 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.023 17.514 -9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.103 15.113 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.735 15.717 -7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.986 17.789 -6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.632 17.601 -7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.893 15.533 -5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.639 15.951 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.075 16.838 -3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.357 18.157 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.854 17.560 -4.755 1.00 0.00 H new ATOM 920 N GLU A 59 -1.630 18.479 -9.965 1.00 0.00 N ATOM 921 CA GLU A 59 -2.633 19.506 -9.708 1.00 0.00 C ATOM 922 C GLU A 59 -4.016 19.041 -10.178 1.00 0.00 C ATOM 923 O GLU A 59 -4.971 19.169 -9.413 1.00 0.00 O ATOM 924 CB GLU A 59 -2.242 20.838 -10.371 1.00 0.00 C ATOM 925 CG GLU A 59 -0.962 21.465 -9.795 1.00 0.00 C ATOM 926 CD GLU A 59 -1.116 21.872 -8.318 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.685 22.952 -8.037 1.00 0.00 O ATOM 928 OE2 GLU A 59 -0.652 21.130 -7.424 1.00 0.00 O ATOM 0 H GLU A 59 -0.910 18.758 -10.632 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.680 19.673 -8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.106 20.675 -11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.064 21.545 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.140 20.755 -9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.695 22.342 -10.384 1.00 0.00 H new ATOM 935 N ILE A 60 -4.130 18.448 -11.377 1.00 0.00 N ATOM 936 CA ILE A 60 -5.401 17.916 -11.885 1.00 0.00 C ATOM 937 C ILE A 60 -5.978 16.937 -10.861 1.00 0.00 C ATOM 938 O ILE A 60 -7.137 17.060 -10.463 1.00 0.00 O ATOM 939 CB ILE A 60 -5.225 17.233 -13.270 1.00 0.00 C ATOM 940 CG1 ILE A 60 -4.853 18.258 -14.364 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.496 16.473 -13.705 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.579 17.616 -15.733 1.00 0.00 C ATOM 0 H ILE A 60 -3.346 18.325 -12.018 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.095 18.744 -12.028 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.410 16.518 -13.154 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.663 18.980 -14.465 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.969 18.812 -14.047 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.329 16.011 -14.678 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.727 15.700 -12.972 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.331 17.170 -13.773 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.324 18.392 -16.454 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.749 16.914 -15.646 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.469 17.085 -16.071 1.00 0.00 H new ATOM 954 N LEU A 61 -5.185 15.955 -10.433 1.00 0.00 N ATOM 955 CA LEU A 61 -5.688 14.891 -9.578 1.00 0.00 C ATOM 956 C LEU A 61 -5.985 15.407 -8.168 1.00 0.00 C ATOM 957 O LEU A 61 -6.903 14.899 -7.521 1.00 0.00 O ATOM 958 CB LEU A 61 -4.720 13.701 -9.576 1.00 0.00 C ATOM 959 CG LEU A 61 -4.537 12.999 -10.940 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.692 11.733 -10.759 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.874 12.644 -11.595 1.00 0.00 C ATOM 0 H LEU A 61 -4.195 15.878 -10.666 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.636 14.536 -9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.746 14.046 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.074 12.967 -8.852 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.027 13.698 -11.603 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.565 11.240 -11.723 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.715 12.002 -10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.195 11.056 -10.068 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.692 12.153 -12.551 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.432 11.972 -10.942 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.452 13.554 -11.759 1.00 0.00 H new ATOM 973 N SER A 62 -5.280 16.444 -7.711 1.00 0.00 N ATOM 974 CA SER A 62 -5.600 17.122 -6.461 1.00 0.00 C ATOM 975 C SER A 62 -6.966 17.813 -6.562 1.00 0.00 C ATOM 976 O SER A 62 -7.768 17.701 -5.636 1.00 0.00 O ATOM 977 CB SER A 62 -4.502 18.129 -6.102 1.00 0.00 C ATOM 978 OG SER A 62 -3.239 17.489 -6.039 1.00 0.00 O ATOM 0 H SER A 62 -4.473 16.834 -8.199 1.00 0.00 H new ATOM 0 HA SER A 62 -5.653 16.380 -5.665 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.475 18.926 -6.845 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.728 18.595 -5.143 1.00 0.00 H new ATOM 0 HG SER A 62 -2.863 17.418 -6.941 1.00 0.00 H new ATOM 984 N GLU A 63 -7.276 18.472 -7.686 1.00 0.00 N ATOM 985 CA GLU A 63 -8.586 19.088 -7.907 1.00 0.00 C ATOM 986 C GLU A 63 -9.682 18.018 -8.026 1.00 0.00 C ATOM 987 O GLU A 63 -10.799 18.228 -7.548 1.00 0.00 O ATOM 988 CB GLU A 63 -8.567 19.991 -9.151 1.00 0.00 C ATOM 989 CG GLU A 63 -7.771 21.283 -8.918 1.00 0.00 C ATOM 990 CD GLU A 63 -7.851 22.221 -10.136 1.00 0.00 C ATOM 991 OE1 GLU A 63 -7.023 22.104 -11.068 1.00 0.00 O ATOM 992 OE2 GLU A 63 -8.738 23.106 -10.167 1.00 0.00 O ATOM 0 H GLU A 63 -6.627 18.592 -8.464 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.814 19.711 -7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.132 19.444 -9.988 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.590 20.242 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.157 21.795 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.729 21.038 -8.714 1.00 0.00 H new ATOM 999 N MET A 64 -9.362 16.850 -8.597 1.00 0.00 N ATOM 1000 CA MET A 64 -10.245 15.681 -8.614 1.00 0.00 C ATOM 1001 C MET A 64 -10.413 15.054 -7.215 1.00 0.00 C ATOM 1002 O MET A 64 -11.261 14.178 -7.041 1.00 0.00 O ATOM 1003 CB MET A 64 -9.726 14.635 -9.615 1.00 0.00 C ATOM 1004 CG MET A 64 -9.831 15.073 -11.082 1.00 0.00 C ATOM 1005 SD MET A 64 -11.516 15.256 -11.738 1.00 0.00 S ATOM 1006 CE MET A 64 -12.098 13.537 -11.643 1.00 0.00 C ATOM 0 H MET A 64 -8.470 16.690 -9.066 1.00 0.00 H new ATOM 0 HA MET A 64 -11.230 16.023 -8.931 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.684 14.413 -9.386 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.286 13.709 -9.481 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.313 16.025 -11.194 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.300 14.346 -11.697 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.010 13.429 -12.230 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.331 12.871 -12.038 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.302 13.279 -10.604 1.00 0.00 H new ATOM 1016 N GLY A 65 -9.642 15.489 -6.212 1.00 0.00 N ATOM 1017 CA GLY A 65 -9.810 15.093 -4.820 1.00 0.00 C ATOM 1018 C GLY A 65 -9.083 13.796 -4.464 1.00 0.00 C ATOM 1019 O GLY A 65 -9.424 13.179 -3.455 1.00 0.00 O ATOM 0 H GLY A 65 -8.869 16.140 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.445 15.893 -4.176 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.873 14.974 -4.610 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.112 13.357 -5.271 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.250 12.235 -4.918 1.00 0.00 C ATOM 1025 C TYR A 66 -6.297 12.743 -3.833 1.00 0.00 C ATOM 1026 O TYR A 66 -5.576 13.722 -4.042 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.522 11.694 -6.159 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.414 10.924 -7.123 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.421 11.591 -7.849 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -7.277 9.528 -7.251 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -9.334 10.867 -8.635 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -8.182 8.797 -8.043 1.00 0.00 C ATOM 1033 CZ TYR A 66 -9.232 9.460 -8.717 1.00 0.00 C ATOM 1034 OH TYR A 66 -10.144 8.742 -9.430 1.00 0.00 O ATOM 0 H TYR A 66 -7.906 13.769 -6.181 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.820 11.389 -4.533 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.067 12.529 -6.692 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.710 11.043 -5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.492 12.668 -7.801 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.475 9.017 -6.740 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.112 11.385 -9.175 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.074 7.726 -8.136 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.921 7.789 -9.380 1.00 0.00 H new ATOM 1044 N THR A 67 -6.318 12.115 -2.658 1.00 0.00 N ATOM 1045 CA THR A 67 -5.682 12.636 -1.450 1.00 0.00 C ATOM 1046 C THR A 67 -4.187 12.302 -1.330 1.00 0.00 C ATOM 1047 O THR A 67 -3.487 12.959 -0.556 1.00 0.00 O ATOM 1048 CB THR A 67 -6.468 12.111 -0.232 1.00 0.00 C ATOM 1049 OG1 THR A 67 -6.793 10.746 -0.414 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.787 12.871 -0.050 1.00 0.00 C ATOM 0 H THR A 67 -6.783 11.218 -2.517 1.00 0.00 H new ATOM 0 HA THR A 67 -5.715 13.724 -1.499 1.00 0.00 H new ATOM 0 HB THR A 67 -5.833 12.252 0.643 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.978 10.335 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.317 12.477 0.817 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.579 13.930 0.103 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.404 12.747 -0.940 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.680 11.321 -2.087 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.333 10.766 -1.912 1.00 0.00 C ATOM 1060 C HIS A 68 -1.606 10.650 -3.258 1.00 0.00 C ATOM 1061 O HIS A 68 -0.913 9.669 -3.528 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.421 9.440 -1.131 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.811 9.626 0.315 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -1.981 10.040 1.335 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -4.050 9.427 0.863 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -2.704 10.091 2.467 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -3.978 9.724 2.232 1.00 0.00 N ATOM 0 H HIS A 68 -4.201 10.885 -2.848 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.723 11.445 -1.316 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.148 8.788 -1.616 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.457 8.933 -1.178 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.931 9.098 0.332 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.317 10.385 3.431 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.737 9.672 2.912 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.789 11.639 -4.133 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.000 11.771 -5.355 1.00 0.00 C ATOM 1077 C VAL A 69 0.335 12.421 -4.978 1.00 0.00 C ATOM 1078 O VAL A 69 0.367 13.307 -4.119 1.00 0.00 O ATOM 1079 CB VAL A 69 -1.747 12.620 -6.403 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.124 12.473 -7.801 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.229 12.242 -6.501 1.00 0.00 C ATOM 0 H VAL A 69 -2.489 12.371 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.830 10.791 -5.801 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.658 13.652 -6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.678 13.086 -8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.085 12.800 -7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.168 11.429 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.715 12.866 -7.251 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.319 11.194 -6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.709 12.397 -5.535 1.00 0.00 H new ATOM 1091 N GLU A 70 1.421 12.047 -5.652 1.00 0.00 N ATOM 1092 CA GLU A 70 2.730 12.655 -5.475 1.00 0.00 C ATOM 1093 C GLU A 70 3.414 12.781 -6.840 1.00 0.00 C ATOM 1094 O GLU A 70 3.350 11.870 -7.671 1.00 0.00 O ATOM 1095 CB GLU A 70 3.533 11.801 -4.478 1.00 0.00 C ATOM 1096 CG GLU A 70 4.911 12.396 -4.168 1.00 0.00 C ATOM 1097 CD GLU A 70 5.613 11.639 -3.027 1.00 0.00 C ATOM 1098 OE1 GLU A 70 6.298 10.626 -3.294 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.504 12.063 -1.853 1.00 0.00 O ATOM 0 H GLU A 70 1.411 11.300 -6.347 1.00 0.00 H new ATOM 0 HA GLU A 70 2.653 13.661 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.967 11.703 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.658 10.797 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.532 12.362 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.801 13.446 -3.895 1.00 0.00 H new ATOM 1106 N ASN A 71 4.064 13.924 -7.079 1.00 0.00 N ATOM 1107 CA ASN A 71 4.955 14.107 -8.219 1.00 0.00 C ATOM 1108 C ASN A 71 6.213 13.294 -7.922 1.00 0.00 C ATOM 1109 O ASN A 71 6.988 13.663 -7.036 1.00 0.00 O ATOM 1110 CB ASN A 71 5.290 15.596 -8.412 1.00 0.00 C ATOM 1111 CG ASN A 71 6.290 15.797 -9.551 1.00 0.00 C ATOM 1112 OD1 ASN A 71 7.497 15.687 -9.373 1.00 0.00 O ATOM 1113 ND2 ASN A 71 5.808 16.096 -10.744 1.00 0.00 N ATOM 0 H ASN A 71 3.984 14.748 -6.483 1.00 0.00 H new ATOM 0 HA ASN A 71 4.487 13.770 -9.144 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.377 16.152 -8.625 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.702 16.001 -7.488 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.443 16.238 -11.530 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.801 16.185 -10.880 1.00 0.00 H new ATOM 1120 N ALA A 72 6.391 12.162 -8.607 1.00 0.00 N ATOM 1121 CA ALA A 72 7.564 11.321 -8.416 1.00 0.00 C ATOM 1122 C ALA A 72 8.817 12.027 -8.943 1.00 0.00 C ATOM 1123 O ALA A 72 9.887 11.903 -8.345 1.00 0.00 O ATOM 1124 CB ALA A 72 7.369 9.982 -9.130 1.00 0.00 C ATOM 0 H ALA A 72 5.732 11.810 -9.301 1.00 0.00 H new ATOM 0 HA ALA A 72 7.694 11.136 -7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.251 9.359 -8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.494 9.476 -8.721 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.222 10.156 -10.196 1.00 0.00 H new ATOM 1130 N GLY A 73 8.681 12.763 -10.049 1.00 0.00 N ATOM 1131 CA GLY A 73 9.761 13.477 -10.705 1.00 0.00 C ATOM 1132 C GLY A 73 9.523 13.448 -12.205 1.00 0.00 C ATOM 1133 O GLY A 73 8.375 13.404 -12.662 1.00 0.00 O ATOM 0 H GLY A 73 7.784 12.877 -10.522 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.805 14.506 -10.349 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.719 13.016 -10.465 1.00 0.00 H new ATOM 1137 N GLY A 74 10.620 13.436 -12.959 1.00 0.00 N ATOM 1138 CA GLY A 74 10.629 13.176 -14.387 1.00 0.00 C ATOM 1139 C GLY A 74 11.464 11.927 -14.654 1.00 0.00 C ATOM 1140 O GLY A 74 12.180 11.454 -13.772 1.00 0.00 O ATOM 0 H GLY A 74 11.550 13.612 -12.578 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.611 13.035 -14.751 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.044 14.029 -14.923 1.00 0.00 H new ATOM 1144 N LEU A 75 11.383 11.376 -15.864 1.00 0.00 N ATOM 1145 CA LEU A 75 11.962 10.079 -16.227 1.00 0.00 C ATOM 1146 C LEU A 75 13.468 10.010 -15.952 1.00 0.00 C ATOM 1147 O LEU A 75 13.982 8.951 -15.585 1.00 0.00 O ATOM 1148 CB LEU A 75 11.679 9.829 -17.723 1.00 0.00 C ATOM 1149 CG LEU A 75 12.327 8.558 -18.312 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.772 7.276 -17.674 1.00 0.00 C ATOM 1151 CD2 LEU A 75 12.128 8.533 -19.830 1.00 0.00 C ATOM 0 H LEU A 75 10.901 11.829 -16.640 1.00 0.00 H new ATOM 0 HA LEU A 75 11.502 9.308 -15.609 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.600 9.767 -17.867 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.027 10.692 -18.291 1.00 0.00 H new ATOM 0 HG LEU A 75 13.393 8.590 -18.085 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.257 6.408 -18.120 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.967 7.290 -16.602 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.697 7.219 -17.847 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.587 7.634 -20.242 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.062 8.533 -20.057 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.593 9.414 -20.273 1.00 0.00 H new ATOM 1163 N LYS A 76 14.172 11.133 -16.121 1.00 0.00 N ATOM 1164 CA LYS A 76 15.602 11.255 -15.839 1.00 0.00 C ATOM 1165 C LYS A 76 15.935 11.139 -14.345 1.00 0.00 C ATOM 1166 O LYS A 76 17.113 11.031 -14.003 1.00 0.00 O ATOM 1167 CB LYS A 76 16.133 12.572 -16.436 1.00 0.00 C ATOM 1168 CG LYS A 76 15.501 13.836 -15.818 1.00 0.00 C ATOM 1169 CD LYS A 76 16.063 15.139 -16.408 1.00 0.00 C ATOM 1170 CE LYS A 76 15.702 15.312 -17.893 1.00 0.00 C ATOM 1171 NZ LYS A 76 16.210 16.594 -18.446 1.00 0.00 N ATOM 0 H LYS A 76 13.754 11.998 -16.464 1.00 0.00 H new ATOM 0 HA LYS A 76 16.105 10.413 -16.314 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.213 12.613 -16.298 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.949 12.573 -17.510 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.422 13.809 -15.973 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.668 13.830 -14.741 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.678 15.987 -15.842 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.147 15.147 -16.297 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.116 14.482 -18.465 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.619 15.271 -18.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.944 16.669 -19.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.796 17.388 -17.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.246 16.623 -18.359 1.00 0.00 H new ATOM 1185 N ASP A 77 14.936 11.179 -13.460 1.00 0.00 N ATOM 1186 CA ASP A 77 15.108 11.254 -12.013 1.00 0.00 C ATOM 1187 C ASP A 77 14.541 10.024 -11.305 1.00 0.00 C ATOM 1188 O ASP A 77 15.158 9.585 -10.333 1.00 0.00 O ATOM 1189 CB ASP A 77 14.466 12.533 -11.465 1.00 0.00 C ATOM 1190 CG ASP A 77 14.689 12.648 -9.948 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.825 12.961 -9.523 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.725 12.463 -9.174 1.00 0.00 O ATOM 0 H ASP A 77 13.956 11.159 -13.743 1.00 0.00 H new ATOM 0 HA ASP A 77 16.179 11.279 -11.811 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.891 13.402 -11.967 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.398 12.531 -11.681 1.00 0.00 H new ATOM 1197 N ILE A 78 13.436 9.416 -11.776 1.00 0.00 N ATOM 1198 CA ILE A 78 13.034 8.110 -11.246 1.00 0.00 C ATOM 1199 C ILE A 78 14.138 7.119 -11.655 1.00 0.00 C ATOM 1200 O ILE A 78 14.468 7.012 -12.840 1.00 0.00 O ATOM 1201 CB ILE A 78 11.626 7.654 -11.714 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.461 8.542 -11.217 1.00 0.00 C ATOM 1203 CG2 ILE A 78 11.345 6.238 -11.166 1.00 0.00 C ATOM 1204 CD1 ILE A 78 10.367 9.926 -11.853 1.00 0.00 C ATOM 0 H ILE A 78 12.826 9.797 -12.499 1.00 0.00 H new ATOM 0 HA ILE A 78 12.935 8.164 -10.162 1.00 0.00 H new ATOM 0 HB ILE A 78 11.657 7.709 -12.802 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.524 8.015 -11.397 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.556 8.664 -10.138 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.357 5.911 -11.491 1.00 0.00 H new ATOM 0 HG22 ILE A 78 12.098 5.546 -11.543 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.381 6.256 -10.077 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.516 10.463 -11.433 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.283 10.482 -11.651 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.235 9.823 -12.930 1.00 0.00 H new ATOM 1216 N ALA A 79 14.682 6.380 -10.681 1.00 0.00 N ATOM 1217 CA ALA A 79 15.811 5.466 -10.866 1.00 0.00 C ATOM 1218 C ALA A 79 15.466 4.036 -10.430 1.00 0.00 C ATOM 1219 O ALA A 79 16.340 3.243 -10.072 1.00 0.00 O ATOM 1220 CB ALA A 79 17.049 6.036 -10.159 1.00 0.00 C ATOM 0 H ALA A 79 14.340 6.403 -9.720 1.00 0.00 H new ATOM 0 HA ALA A 79 16.042 5.389 -11.928 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.891 5.357 -10.295 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.295 7.009 -10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.841 6.147 -9.095 1.00 0.00 H new ATOM 1226 N MET A 80 14.171 3.721 -10.449 1.00 0.00 N ATOM 1227 CA MET A 80 13.666 2.356 -10.323 1.00 0.00 C ATOM 1228 C MET A 80 13.995 1.589 -11.616 1.00 0.00 C ATOM 1229 O MET A 80 14.322 2.226 -12.624 1.00 0.00 O ATOM 1230 CB MET A 80 12.144 2.387 -10.103 1.00 0.00 C ATOM 1231 CG MET A 80 11.773 2.958 -8.730 1.00 0.00 C ATOM 1232 SD MET A 80 10.007 2.858 -8.334 1.00 0.00 S ATOM 1233 CE MET A 80 9.827 1.085 -7.987 1.00 0.00 C ATOM 0 H MET A 80 13.433 4.418 -10.554 1.00 0.00 H new ATOM 0 HA MET A 80 14.133 1.860 -9.472 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.677 2.988 -10.883 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.744 1.377 -10.196 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.336 2.425 -7.964 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.085 4.002 -8.687 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.813 0.883 -7.642 1.00 0.00 H new ATOM 0 HE2 MET A 80 10.021 0.515 -8.895 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.538 0.791 -7.215 1.00 0.00 H new ATOM 1243 N PRO A 81 13.900 0.245 -11.632 1.00 0.00 N ATOM 1244 CA PRO A 81 13.962 -0.530 -12.866 1.00 0.00 C ATOM 1245 C PRO A 81 12.962 -0.015 -13.910 1.00 0.00 C ATOM 1246 O PRO A 81 11.880 0.483 -13.571 1.00 0.00 O ATOM 1247 CB PRO A 81 13.669 -1.980 -12.463 1.00 0.00 C ATOM 1248 CG PRO A 81 14.092 -2.033 -10.997 1.00 0.00 C ATOM 1249 CD PRO A 81 13.736 -0.639 -10.486 1.00 0.00 C ATOM 0 HA PRO A 81 14.940 -0.443 -13.340 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.614 -2.226 -12.586 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.234 -2.688 -13.070 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.559 -2.811 -10.451 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.157 -2.242 -10.891 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.714 -0.608 -10.109 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.388 -0.343 -9.665 1.00 0.00 H new ATOM 1257 N LYS A 82 13.301 -0.168 -15.190 1.00 0.00 N ATOM 1258 CA LYS A 82 12.498 0.314 -16.306 1.00 0.00 C ATOM 1259 C LYS A 82 12.350 -0.801 -17.332 1.00 0.00 C ATOM 1260 O LYS A 82 13.161 -1.729 -17.383 1.00 0.00 O ATOM 1261 CB LYS A 82 13.153 1.563 -16.924 1.00 0.00 C ATOM 1262 CG LYS A 82 13.103 2.784 -15.990 1.00 0.00 C ATOM 1263 CD LYS A 82 13.921 3.945 -16.560 1.00 0.00 C ATOM 1264 CE LYS A 82 13.861 5.178 -15.645 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.783 6.245 -16.103 1.00 0.00 N ATOM 0 H LYS A 82 14.157 -0.639 -15.482 1.00 0.00 H new ATOM 0 HA LYS A 82 11.505 0.599 -15.957 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.192 1.340 -17.168 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.650 1.806 -17.860 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.068 3.097 -15.851 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.488 2.511 -15.008 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.958 3.634 -16.686 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.544 4.206 -17.549 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.842 5.564 -15.620 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.117 4.888 -14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.414 7.172 -15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.722 6.097 -15.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.861 6.215 -17.140 1.00 0.00 H new ATOM 1279 N VAL A 83 11.319 -0.685 -18.156 1.00 0.00 N ATOM 1280 CA VAL A 83 10.975 -1.589 -19.248 1.00 0.00 C ATOM 1281 C VAL A 83 10.791 -0.688 -20.485 1.00 0.00 C ATOM 1282 O VAL A 83 10.823 0.539 -20.361 1.00 0.00 O ATOM 1283 CB VAL A 83 9.749 -2.435 -18.813 1.00 0.00 C ATOM 1284 CG1 VAL A 83 9.203 -3.366 -19.907 1.00 0.00 C ATOM 1285 CG2 VAL A 83 10.091 -3.327 -17.602 1.00 0.00 C ATOM 0 H VAL A 83 10.659 0.089 -18.077 1.00 0.00 H new ATOM 0 HA VAL A 83 11.733 -2.330 -19.503 1.00 0.00 H new ATOM 0 HB VAL A 83 8.987 -1.693 -18.573 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.348 -3.920 -19.520 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.892 -2.773 -20.767 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.981 -4.066 -20.211 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.214 -3.908 -17.319 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.904 -4.003 -17.866 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.397 -2.701 -16.764 1.00 0.00 H new ATOM 1295 N LYS A 84 10.686 -1.254 -21.690 1.00 0.00 N ATOM 1296 CA LYS A 84 10.721 -0.509 -22.954 1.00 0.00 C ATOM 1297 C LYS A 84 9.559 -0.950 -23.844 1.00 0.00 C ATOM 1298 O LYS A 84 8.902 -1.953 -23.549 1.00 0.00 O ATOM 1299 CB LYS A 84 12.072 -0.730 -23.665 1.00 0.00 C ATOM 1300 CG LYS A 84 13.300 -0.373 -22.805 1.00 0.00 C ATOM 1301 CD LYS A 84 14.634 -0.619 -23.526 1.00 0.00 C ATOM 1302 CE LYS A 84 14.835 0.304 -24.737 1.00 0.00 C ATOM 1303 NZ LYS A 84 16.134 0.067 -25.415 1.00 0.00 N ATOM 0 H LYS A 84 10.572 -2.259 -21.818 1.00 0.00 H new ATOM 0 HA LYS A 84 10.617 0.556 -22.748 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.145 -1.775 -23.968 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.093 -0.132 -24.576 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.239 0.676 -22.514 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.276 -0.961 -21.887 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.454 -0.472 -22.823 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.678 -1.657 -23.855 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.023 0.150 -25.448 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.781 1.343 -24.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.225 0.712 -26.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.911 0.239 -24.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.177 -0.917 -25.749 1.00 0.00 H new ATOM 1317 N GLY A 85 9.300 -0.198 -24.916 1.00 0.00 N ATOM 1318 CA GLY A 85 8.319 -0.557 -25.932 1.00 0.00 C ATOM 1319 C GLY A 85 8.641 -1.931 -26.510 1.00 0.00 C ATOM 1320 O GLY A 85 7.715 -2.757 -26.638 1.00 0.00 O ATOM 1321 OXT GLY A 85 9.817 -2.177 -26.850 1.00 0.00 O ATOM 0 H GLY A 85 9.773 0.686 -25.101 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.319 -0.562 -25.498 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.317 0.189 -26.727 1.00 0.00 H new