USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 619 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 3 ASN : amide:sc= 0 X(o=0.94,f=1.3) USER MOD Set 1.2: A 5 THR OG1 : rot -110:sc= 0.622 USER MOD Set 1.3: A 37 HIS : no HE2:sc= 0.313 K(o=0.94,f=-1.4) USER MOD Set 2.1: A 18 HIS : no HD1:sc= -0.0224 X(o=-0.49,f=-0.062) USER MOD Set 2.2: A 74 ASN : amide:sc= -0.465 X(o=-0.49,f=-0.062) USER MOD Set 3.1: A 8 GLN : amide:sc= -0.962 K(o=-0.96,f=-3.5!) USER MOD Set 3.2: A 9 MET CE :methyl 174:sc= 0 (180deg=-0.0832) USER MOD Set 3.3: A 69 MET CE :methyl 174:sc= 0 (180deg=-0.00885) USER MOD Single : A 2 MET CE :methyl -155:sc= -3.64! (180deg=-5.94!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.959 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 17 GLN : amide:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 148:sc= 0.099 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.367 K(o=-0.37,f=-5.2!) USER MOD Single : A 55 THR OG1 : rot 23:sc= 1.07 USER MOD Single : A 57 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.025) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-10!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -170:sc= -1.03 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.2) USER MOD Single : A 83 GLN : amide:sc= -3.48 K(o=-3.5,f=-7.1!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -30.785 -17.211 -13.876 1.00 0.00 N ATOM 18 CA MET A 2 -29.970 -17.351 -15.077 1.00 0.00 C ATOM 19 C MET A 2 -30.208 -18.702 -15.743 1.00 0.00 C ATOM 20 O MET A 2 -30.796 -19.605 -15.146 1.00 0.00 O ATOM 21 CB MET A 2 -28.487 -17.193 -14.735 1.00 0.00 C ATOM 22 CG MET A 2 -28.050 -18.015 -13.532 1.00 0.00 C ATOM 23 SD MET A 2 -26.554 -18.972 -13.847 1.00 0.00 S ATOM 24 CE MET A 2 -26.945 -20.501 -13.000 1.00 0.00 C ATOM 0 HA MET A 2 -30.261 -16.566 -15.775 1.00 0.00 H new ATOM 0 HB2 MET A 2 -27.890 -17.484 -15.600 1.00 0.00 H new ATOM 0 HB3 MET A 2 -28.277 -16.141 -14.542 1.00 0.00 H new ATOM 0 HG2 MET A 2 -27.879 -17.350 -12.686 1.00 0.00 H new ATOM 0 HG3 MET A 2 -28.856 -18.692 -13.248 1.00 0.00 H new ATOM 0 HE1 MET A 2 -26.022 -21.005 -12.714 1.00 0.00 H new ATOM 0 HE2 MET A 2 -27.531 -20.283 -12.107 1.00 0.00 H new ATOM 0 HE3 MET A 2 -27.521 -21.147 -13.663 1.00 0.00 H new ATOM 34 N ASN A 3 -29.750 -18.833 -16.984 1.00 0.00 N ATOM 35 CA ASN A 3 -29.918 -20.074 -17.732 1.00 0.00 C ATOM 36 C ASN A 3 -28.577 -20.602 -18.233 1.00 0.00 C ATOM 37 O ASN A 3 -27.791 -19.866 -18.830 1.00 0.00 O ATOM 38 CB ASN A 3 -30.865 -19.856 -18.914 1.00 0.00 C ATOM 39 CG ASN A 3 -31.748 -21.058 -19.177 1.00 0.00 C ATOM 40 OD1 ASN A 3 -31.477 -21.860 -20.071 1.00 0.00 O ATOM 41 ND2 ASN A 3 -32.815 -21.191 -18.396 1.00 0.00 N ATOM 0 H ASN A 3 -29.260 -18.096 -17.492 1.00 0.00 H new ATOM 0 HA ASN A 3 -30.348 -20.815 -17.058 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -31.491 -18.985 -18.719 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.281 -19.635 -19.808 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -33.447 -21.981 -18.526 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -33.002 -20.503 -17.667 1.00 0.00 H new ATOM 48 N ILE A 4 -28.326 -21.884 -17.986 1.00 0.00 N ATOM 49 CA ILE A 4 -27.086 -22.520 -18.410 1.00 0.00 C ATOM 50 C ILE A 4 -27.367 -23.856 -19.093 1.00 0.00 C ATOM 51 O ILE A 4 -28.050 -24.716 -18.536 1.00 0.00 O ATOM 52 CB ILE A 4 -26.133 -22.752 -17.219 1.00 0.00 C ATOM 53 CG1 ILE A 4 -25.925 -21.449 -16.442 1.00 0.00 C ATOM 54 CG2 ILE A 4 -24.799 -23.303 -17.705 1.00 0.00 C ATOM 55 CD1 ILE A 4 -24.987 -21.590 -15.262 1.00 0.00 C ATOM 0 H ILE A 4 -28.968 -22.504 -17.492 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.606 -21.843 -19.117 1.00 0.00 H new ATOM 0 HB ILE A 4 -26.585 -23.485 -16.550 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -25.532 -20.691 -17.119 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.891 -21.089 -16.087 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.138 -23.461 -16.853 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.962 -24.251 -18.218 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.341 -22.592 -18.393 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -24.887 -20.628 -14.759 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.389 -22.324 -14.564 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -24.009 -21.919 -15.612 1.00 0.00 H new ATOM 67 N THR A 5 -26.836 -24.026 -20.300 1.00 0.00 N ATOM 68 CA THR A 5 -27.030 -25.259 -21.055 1.00 0.00 C ATOM 69 C THR A 5 -25.714 -25.752 -21.642 1.00 0.00 C ATOM 70 O THR A 5 -24.744 -25.000 -21.737 1.00 0.00 O ATOM 71 CB THR A 5 -28.053 -25.049 -22.171 1.00 0.00 C ATOM 72 OG1 THR A 5 -27.879 -23.783 -22.782 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.484 -25.144 -21.694 1.00 0.00 C ATOM 0 H THR A 5 -26.268 -23.325 -20.776 1.00 0.00 H new ATOM 0 HA THR A 5 -27.407 -26.016 -20.368 1.00 0.00 H new ATOM 0 HB THR A 5 -27.874 -25.854 -22.884 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.628 -23.199 -22.543 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.159 -24.985 -22.535 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.661 -26.132 -21.268 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.666 -24.383 -20.935 1.00 0.00 H new ATOM 81 N SER A 6 -25.685 -27.023 -22.027 1.00 0.00 N ATOM 82 CA SER A 6 -24.486 -27.625 -22.597 1.00 0.00 C ATOM 83 C SER A 6 -24.825 -28.935 -23.301 1.00 0.00 C ATOM 84 O SER A 6 -25.596 -29.746 -22.789 1.00 0.00 O ATOM 85 CB SER A 6 -23.451 -27.877 -21.500 1.00 0.00 C ATOM 86 OG SER A 6 -23.749 -29.061 -20.780 1.00 0.00 O ATOM 0 H SER A 6 -26.480 -27.657 -21.954 1.00 0.00 H new ATOM 0 HA SER A 6 -24.069 -26.934 -23.329 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.459 -27.957 -21.944 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.427 -27.028 -20.816 1.00 0.00 H new ATOM 0 HG SER A 6 -23.072 -29.201 -20.086 1.00 0.00 H new ATOM 92 N LYS A 7 -24.242 -29.133 -24.479 1.00 0.00 N ATOM 93 CA LYS A 7 -24.482 -30.343 -25.258 1.00 0.00 C ATOM 94 C LYS A 7 -23.316 -31.315 -25.121 1.00 0.00 C ATOM 95 O LYS A 7 -22.919 -31.966 -26.088 1.00 0.00 O ATOM 96 CB LYS A 7 -24.699 -29.992 -26.731 1.00 0.00 C ATOM 97 CG LYS A 7 -26.015 -29.275 -26.999 1.00 0.00 C ATOM 98 CD LYS A 7 -25.789 -27.866 -27.525 1.00 0.00 C ATOM 99 CE LYS A 7 -25.947 -26.828 -26.426 1.00 0.00 C ATOM 100 NZ LYS A 7 -27.286 -26.177 -26.466 1.00 0.00 N ATOM 0 H LYS A 7 -23.600 -28.471 -24.915 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.381 -30.823 -24.871 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -23.876 -29.363 -27.071 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -24.666 -30.907 -27.323 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -26.599 -29.844 -27.722 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -26.600 -29.231 -26.080 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -24.790 -27.793 -27.955 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -26.497 -27.658 -28.327 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -25.803 -27.302 -25.455 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -25.171 -26.069 -26.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -27.354 -25.476 -25.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -27.414 -25.703 -27.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -28.026 -26.897 -26.342 1.00 0.00 H new ATOM 114 N GLN A 8 -22.773 -31.410 -23.912 1.00 0.00 N ATOM 115 CA GLN A 8 -21.661 -32.298 -23.640 1.00 0.00 C ATOM 116 C GLN A 8 -21.824 -32.964 -22.277 1.00 0.00 C ATOM 117 O GLN A 8 -21.673 -34.178 -22.146 1.00 0.00 O ATOM 118 CB GLN A 8 -20.337 -31.532 -23.698 1.00 0.00 C ATOM 119 CG GLN A 8 -19.231 -32.285 -24.420 1.00 0.00 C ATOM 120 CD GLN A 8 -18.057 -32.608 -23.516 1.00 0.00 C ATOM 121 OE1 GLN A 8 -17.663 -31.798 -22.677 1.00 0.00 O ATOM 122 NE2 GLN A 8 -17.492 -33.799 -23.682 1.00 0.00 N ATOM 0 H GLN A 8 -23.092 -30.877 -23.103 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.650 -33.074 -24.405 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.501 -30.577 -24.197 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.011 -31.309 -22.682 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -19.635 -33.211 -24.829 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -18.882 -31.689 -25.263 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -17.851 -34.440 -24.390 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -16.699 -34.073 -23.102 1.00 0.00 H new ATOM 131 N MET A 9 -22.136 -32.159 -21.268 1.00 0.00 N ATOM 132 CA MET A 9 -22.325 -32.667 -19.915 1.00 0.00 C ATOM 133 C MET A 9 -23.589 -32.091 -19.290 1.00 0.00 C ATOM 134 O MET A 9 -24.317 -31.327 -19.926 1.00 0.00 O ATOM 135 CB MET A 9 -21.113 -32.330 -19.041 1.00 0.00 C ATOM 136 CG MET A 9 -20.541 -30.943 -19.297 1.00 0.00 C ATOM 137 SD MET A 9 -18.975 -30.989 -20.191 1.00 0.00 S ATOM 138 CE MET A 9 -18.925 -29.333 -20.871 1.00 0.00 C ATOM 0 H MET A 9 -22.263 -31.151 -21.362 1.00 0.00 H new ATOM 0 HA MET A 9 -22.429 -33.750 -19.975 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.400 -32.407 -17.992 1.00 0.00 H new ATOM 0 HB3 MET A 9 -20.334 -33.072 -19.214 1.00 0.00 H new ATOM 0 HG2 MET A 9 -21.262 -30.357 -19.866 1.00 0.00 H new ATOM 0 HG3 MET A 9 -20.396 -30.433 -18.345 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.966 -29.170 -21.362 1.00 0.00 H new ATOM 0 HE2 MET A 9 -19.729 -29.213 -21.597 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.049 -28.606 -20.068 1.00 0.00 H new ATOM 148 N GLU A 10 -23.844 -32.460 -18.041 1.00 0.00 N ATOM 149 CA GLU A 10 -25.020 -31.981 -17.324 1.00 0.00 C ATOM 150 C GLU A 10 -24.685 -30.733 -16.513 1.00 0.00 C ATOM 151 O GLU A 10 -23.515 -30.429 -16.282 1.00 0.00 O ATOM 152 CB GLU A 10 -25.557 -33.080 -16.402 1.00 0.00 C ATOM 153 CG GLU A 10 -26.745 -32.648 -15.557 1.00 0.00 C ATOM 154 CD GLU A 10 -27.493 -33.822 -14.958 1.00 0.00 C ATOM 155 OE1 GLU A 10 -26.832 -34.723 -14.399 1.00 0.00 O ATOM 156 OE2 GLU A 10 -28.738 -33.842 -15.049 1.00 0.00 O ATOM 0 H GLU A 10 -23.251 -33.091 -17.502 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.788 -31.722 -18.053 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.847 -33.939 -17.007 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -24.755 -33.411 -15.742 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -26.398 -31.996 -14.755 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.429 -32.062 -16.171 1.00 0.00 H new ATOM 163 N ILE A 11 -25.717 -30.013 -16.083 1.00 0.00 N ATOM 164 CA ILE A 11 -25.527 -28.801 -15.302 1.00 0.00 C ATOM 165 C ILE A 11 -25.500 -29.119 -13.813 1.00 0.00 C ATOM 166 O ILE A 11 -26.458 -29.667 -13.266 1.00 0.00 O ATOM 167 CB ILE A 11 -26.648 -27.784 -15.576 1.00 0.00 C ATOM 168 CG1 ILE A 11 -26.914 -27.683 -17.083 1.00 0.00 C ATOM 169 CG2 ILE A 11 -26.292 -26.424 -14.989 1.00 0.00 C ATOM 170 CD1 ILE A 11 -25.952 -26.774 -17.819 1.00 0.00 C ATOM 0 H ILE A 11 -26.692 -30.250 -16.264 1.00 0.00 H new ATOM 0 HA ILE A 11 -24.572 -28.369 -15.600 1.00 0.00 H new ATOM 0 HB ILE A 11 -27.561 -28.128 -15.091 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -26.860 -28.681 -17.519 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -27.930 -27.322 -17.239 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.097 -25.718 -15.193 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.155 -26.517 -13.912 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -25.369 -26.063 -15.442 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -26.207 -26.756 -18.879 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -26.021 -25.765 -17.412 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -24.935 -27.145 -17.697 1.00 0.00 H new ATOM 182 N THR A 12 -24.395 -28.773 -13.164 1.00 0.00 N ATOM 183 CA THR A 12 -24.239 -29.022 -11.737 1.00 0.00 C ATOM 184 C THR A 12 -24.469 -27.748 -10.929 1.00 0.00 C ATOM 185 O THR A 12 -24.162 -26.649 -11.390 1.00 0.00 O ATOM 186 CB THR A 12 -22.845 -29.579 -11.447 1.00 0.00 C ATOM 187 OG1 THR A 12 -21.868 -28.558 -11.538 1.00 0.00 O ATOM 188 CG2 THR A 12 -22.439 -30.691 -12.392 1.00 0.00 C ATOM 0 H THR A 12 -23.594 -28.319 -13.603 1.00 0.00 H new ATOM 0 HA THR A 12 -24.988 -29.756 -11.439 1.00 0.00 H new ATOM 0 HB THR A 12 -22.898 -29.983 -10.436 1.00 0.00 H new ATOM 0 HG1 THR A 12 -20.983 -28.934 -11.347 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.440 -31.042 -12.133 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.147 -31.516 -12.309 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.437 -30.316 -13.416 1.00 0.00 H new ATOM 196 N PRO A 13 -24.999 -27.879 -9.700 1.00 0.00 N ATOM 197 CA PRO A 13 -25.249 -26.730 -8.826 1.00 0.00 C ATOM 198 C PRO A 13 -23.981 -25.922 -8.578 1.00 0.00 C ATOM 199 O PRO A 13 -24.046 -24.755 -8.193 1.00 0.00 O ATOM 200 CB PRO A 13 -25.750 -27.360 -7.523 1.00 0.00 C ATOM 201 CG PRO A 13 -26.242 -28.711 -7.913 1.00 0.00 C ATOM 202 CD PRO A 13 -25.380 -29.151 -9.063 1.00 0.00 C ATOM 0 HA PRO A 13 -25.960 -26.030 -9.265 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.951 -27.429 -6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.546 -26.764 -7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -26.166 -29.409 -7.079 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -27.292 -28.675 -8.204 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.508 -29.709 -8.723 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -25.924 -29.799 -9.750 1.00 0.00 H new ATOM 210 N ALA A 14 -22.829 -26.545 -8.807 1.00 0.00 N ATOM 211 CA ALA A 14 -21.557 -25.869 -8.612 1.00 0.00 C ATOM 212 C ALA A 14 -21.270 -24.936 -9.776 1.00 0.00 C ATOM 213 O ALA A 14 -20.800 -23.814 -9.593 1.00 0.00 O ATOM 214 CB ALA A 14 -20.436 -26.885 -8.456 1.00 0.00 C ATOM 0 H ALA A 14 -22.753 -27.511 -9.126 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.615 -25.276 -7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.490 -26.364 -8.311 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.637 -27.519 -7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.376 -27.502 -9.353 1.00 0.00 H new ATOM 220 N ILE A 15 -21.582 -25.409 -10.980 1.00 0.00 N ATOM 221 CA ILE A 15 -21.385 -24.622 -12.184 1.00 0.00 C ATOM 222 C ILE A 15 -22.433 -23.524 -12.244 1.00 0.00 C ATOM 223 O ILE A 15 -22.181 -22.430 -12.750 1.00 0.00 O ATOM 224 CB ILE A 15 -21.480 -25.493 -13.454 1.00 0.00 C ATOM 225 CG1 ILE A 15 -20.496 -26.660 -13.371 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.212 -24.655 -14.696 1.00 0.00 C ATOM 227 CD1 ILE A 15 -20.880 -27.837 -14.241 1.00 0.00 C ATOM 0 H ILE A 15 -21.973 -26.337 -11.143 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.385 -24.189 -12.146 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.490 -25.896 -13.524 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.505 -26.311 -13.662 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -20.425 -26.992 -12.335 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.283 -25.285 -15.582 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -21.948 -23.854 -14.760 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.212 -24.225 -14.636 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.137 -28.627 -14.132 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -21.857 -28.212 -13.935 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -20.923 -27.520 -15.283 1.00 0.00 H new ATOM 239 N ARG A 16 -23.605 -23.821 -11.691 1.00 0.00 N ATOM 240 CA ARG A 16 -24.690 -22.859 -11.648 1.00 0.00 C ATOM 241 C ARG A 16 -24.370 -21.777 -10.626 1.00 0.00 C ATOM 242 O ARG A 16 -24.501 -20.588 -10.905 1.00 0.00 O ATOM 243 CB ARG A 16 -26.008 -23.550 -11.292 1.00 0.00 C ATOM 244 CG ARG A 16 -26.833 -23.949 -12.505 1.00 0.00 C ATOM 245 CD ARG A 16 -28.322 -23.797 -12.240 1.00 0.00 C ATOM 246 NE ARG A 16 -29.131 -24.375 -13.311 1.00 0.00 N ATOM 247 CZ ARG A 16 -29.371 -25.678 -13.437 1.00 0.00 C ATOM 248 NH1 ARG A 16 -28.866 -26.541 -12.564 1.00 0.00 N ATOM 249 NH2 ARG A 16 -30.117 -26.120 -14.440 1.00 0.00 N ATOM 0 H ARG A 16 -23.823 -24.723 -11.267 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.799 -22.404 -12.633 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -25.794 -24.440 -10.700 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -26.600 -22.884 -10.664 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -26.549 -23.333 -13.358 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -26.613 -24.983 -12.772 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -28.573 -24.279 -11.295 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -28.565 -22.740 -12.132 1.00 0.00 H new ATOM 0 HE ARG A 16 -29.535 -23.743 -14.002 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -28.290 -26.207 -11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -29.054 -27.538 -12.666 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -30.507 -25.462 -15.115 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -30.301 -27.119 -14.537 1.00 0.00 H new ATOM 263 N GLN A 17 -23.922 -22.202 -9.447 1.00 0.00 N ATOM 264 CA GLN A 17 -23.554 -21.273 -8.387 1.00 0.00 C ATOM 265 C GLN A 17 -22.319 -20.474 -8.788 1.00 0.00 C ATOM 266 O GLN A 17 -22.205 -19.293 -8.458 1.00 0.00 O ATOM 267 CB GLN A 17 -23.310 -22.031 -7.081 1.00 0.00 C ATOM 268 CG GLN A 17 -22.718 -21.176 -5.969 1.00 0.00 C ATOM 269 CD GLN A 17 -22.291 -21.997 -4.768 1.00 0.00 C ATOM 270 OE1 GLN A 17 -21.210 -21.790 -4.214 1.00 0.00 O ATOM 271 NE2 GLN A 17 -23.138 -22.933 -4.359 1.00 0.00 N ATOM 0 H GLN A 17 -23.806 -23.186 -9.204 1.00 0.00 H new ATOM 0 HA GLN A 17 -24.376 -20.575 -8.230 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -24.254 -22.454 -6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -22.639 -22.867 -7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -21.858 -20.629 -6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -23.453 -20.435 -5.655 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -24.023 -23.069 -4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -22.905 -23.516 -3.555 1.00 0.00 H new ATOM 280 N HIS A 18 -21.411 -21.105 -9.516 1.00 0.00 N ATOM 281 CA HIS A 18 -20.205 -20.423 -9.971 1.00 0.00 C ATOM 282 C HIS A 18 -20.581 -19.217 -10.835 1.00 0.00 C ATOM 283 O HIS A 18 -20.357 -18.065 -10.452 1.00 0.00 O ATOM 284 CB HIS A 18 -19.305 -21.386 -10.749 1.00 0.00 C ATOM 285 CG HIS A 18 -18.106 -20.731 -11.361 1.00 0.00 C ATOM 286 ND1 HIS A 18 -16.952 -20.460 -10.657 1.00 0.00 N ATOM 287 CD2 HIS A 18 -17.885 -20.294 -12.623 1.00 0.00 C ATOM 288 CE1 HIS A 18 -16.074 -19.883 -11.459 1.00 0.00 C ATOM 289 NE2 HIS A 18 -16.617 -19.773 -12.658 1.00 0.00 N ATOM 0 H HIS A 18 -21.483 -22.081 -9.804 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.651 -20.070 -9.101 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -18.972 -22.179 -10.079 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -19.891 -21.860 -11.537 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -18.579 -20.346 -13.449 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.082 -19.557 -11.181 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -16.166 -19.366 -13.478 1.00 0.00 H new ATOM 298 N VAL A 19 -21.173 -19.486 -11.992 1.00 0.00 N ATOM 299 CA VAL A 19 -21.594 -18.423 -12.892 1.00 0.00 C ATOM 300 C VAL A 19 -22.632 -17.526 -12.226 1.00 0.00 C ATOM 301 O VAL A 19 -22.534 -16.301 -12.293 1.00 0.00 O ATOM 302 CB VAL A 19 -22.178 -18.986 -14.200 1.00 0.00 C ATOM 303 CG1 VAL A 19 -22.375 -17.877 -15.220 1.00 0.00 C ATOM 304 CG2 VAL A 19 -21.281 -20.082 -14.759 1.00 0.00 C ATOM 0 H VAL A 19 -21.371 -20.429 -12.327 1.00 0.00 H new ATOM 0 HA VAL A 19 -20.706 -17.837 -13.129 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.152 -19.423 -13.981 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -22.789 -18.296 -16.137 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -23.062 -17.132 -14.819 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -21.416 -17.407 -15.436 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -21.711 -20.467 -15.684 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -20.291 -19.674 -14.961 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.199 -20.890 -14.033 1.00 0.00 H new ATOM 314 N ALA A 20 -23.624 -18.134 -11.580 1.00 0.00 N ATOM 315 CA ALA A 20 -24.668 -17.368 -10.906 1.00 0.00 C ATOM 316 C ALA A 20 -24.081 -16.386 -9.896 1.00 0.00 C ATOM 317 O ALA A 20 -24.452 -15.212 -9.880 1.00 0.00 O ATOM 318 CB ALA A 20 -25.669 -18.287 -10.234 1.00 0.00 C ATOM 0 H ALA A 20 -23.727 -19.146 -11.509 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.189 -16.790 -11.669 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -26.436 -17.691 -9.740 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -26.135 -18.928 -10.983 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -25.157 -18.904 -9.496 1.00 0.00 H new ATOM 324 N ASP A 21 -23.168 -16.862 -9.051 1.00 0.00 N ATOM 325 CA ASP A 21 -22.552 -15.997 -8.050 1.00 0.00 C ATOM 326 C ASP A 21 -21.832 -14.832 -8.720 1.00 0.00 C ATOM 327 O ASP A 21 -21.717 -13.748 -8.149 1.00 0.00 O ATOM 328 CB ASP A 21 -21.588 -16.785 -7.156 1.00 0.00 C ATOM 329 CG ASP A 21 -20.331 -17.236 -7.875 1.00 0.00 C ATOM 330 OD1 ASP A 21 -19.682 -16.397 -8.534 1.00 0.00 O ATOM 331 OD2 ASP A 21 -19.989 -18.431 -7.771 1.00 0.00 O ATOM 0 H ASP A 21 -22.843 -17.829 -9.039 1.00 0.00 H new ATOM 0 HA ASP A 21 -23.344 -15.597 -7.417 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.308 -16.167 -6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.104 -17.659 -6.760 1.00 0.00 H new ATOM 336 N ARG A 22 -21.360 -15.061 -9.942 1.00 0.00 N ATOM 337 CA ARG A 22 -20.662 -14.023 -10.694 1.00 0.00 C ATOM 338 C ARG A 22 -21.652 -12.989 -11.224 1.00 0.00 C ATOM 339 O ARG A 22 -21.312 -11.816 -11.383 1.00 0.00 O ATOM 340 CB ARG A 22 -19.879 -14.639 -11.854 1.00 0.00 C ATOM 341 CG ARG A 22 -18.671 -15.450 -11.414 1.00 0.00 C ATOM 342 CD ARG A 22 -17.562 -14.555 -10.885 1.00 0.00 C ATOM 343 NE ARG A 22 -16.685 -15.262 -9.956 1.00 0.00 N ATOM 344 CZ ARG A 22 -15.746 -14.667 -9.222 1.00 0.00 C ATOM 345 NH1 ARG A 22 -15.561 -13.356 -9.310 1.00 0.00 N ATOM 346 NH2 ARG A 22 -14.994 -15.385 -8.400 1.00 0.00 N ATOM 0 H ARG A 22 -21.447 -15.952 -10.431 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.962 -13.526 -10.022 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.546 -15.280 -12.431 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -19.548 -13.843 -12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.969 -16.158 -10.641 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.298 -16.035 -12.255 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.974 -14.174 -11.720 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.000 -13.692 -10.384 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.798 -16.271 -9.864 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.139 -12.801 -9.941 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.841 -12.904 -8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.134 -16.393 -8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.275 -14.930 -7.838 1.00 0.00 H new ATOM 360 N LEU A 23 -22.883 -13.424 -11.480 1.00 0.00 N ATOM 361 CA LEU A 23 -23.923 -12.525 -11.974 1.00 0.00 C ATOM 362 C LEU A 23 -24.338 -11.539 -10.890 1.00 0.00 C ATOM 363 O LEU A 23 -24.388 -10.331 -11.123 1.00 0.00 O ATOM 364 CB LEU A 23 -25.148 -13.312 -12.454 1.00 0.00 C ATOM 365 CG LEU A 23 -24.856 -14.694 -13.043 1.00 0.00 C ATOM 366 CD1 LEU A 23 -26.112 -15.285 -13.662 1.00 0.00 C ATOM 367 CD2 LEU A 23 -23.741 -14.611 -14.075 1.00 0.00 C ATOM 0 H LEU A 23 -23.184 -14.390 -11.354 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.511 -11.973 -12.819 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -25.833 -13.432 -11.614 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.667 -12.718 -13.206 1.00 0.00 H new ATOM 0 HG LEU A 23 -24.528 -15.349 -12.236 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -25.886 -16.268 -14.076 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -26.883 -15.382 -12.898 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.469 -14.630 -14.457 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -23.548 -15.603 -14.482 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -24.040 -13.940 -14.880 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -22.836 -14.230 -13.603 1.00 0.00 H new ATOM 379 N ALA A 24 -24.627 -12.058 -9.705 1.00 0.00 N ATOM 380 CA ALA A 24 -25.029 -11.215 -8.585 1.00 0.00 C ATOM 381 C ALA A 24 -23.947 -10.190 -8.259 1.00 0.00 C ATOM 382 O ALA A 24 -24.233 -9.125 -7.710 1.00 0.00 O ATOM 383 CB ALA A 24 -25.349 -12.065 -7.364 1.00 0.00 C ATOM 0 H ALA A 24 -24.591 -13.055 -9.493 1.00 0.00 H new ATOM 0 HA ALA A 24 -25.930 -10.674 -8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -25.647 -11.418 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -26.163 -12.750 -7.601 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -24.466 -12.636 -7.077 1.00 0.00 H new ATOM 389 N LYS A 25 -22.707 -10.509 -8.612 1.00 0.00 N ATOM 390 CA LYS A 25 -21.587 -9.610 -8.370 1.00 0.00 C ATOM 391 C LYS A 25 -21.557 -8.498 -9.414 1.00 0.00 C ATOM 392 O LYS A 25 -21.240 -7.350 -9.104 1.00 0.00 O ATOM 393 CB LYS A 25 -20.267 -10.383 -8.388 1.00 0.00 C ATOM 394 CG LYS A 25 -19.209 -9.804 -7.462 1.00 0.00 C ATOM 395 CD LYS A 25 -19.159 -10.549 -6.137 1.00 0.00 C ATOM 396 CE LYS A 25 -17.732 -10.911 -5.753 1.00 0.00 C ATOM 397 NZ LYS A 25 -17.651 -12.258 -5.125 1.00 0.00 N ATOM 0 H LYS A 25 -22.453 -11.385 -9.068 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.717 -9.161 -7.385 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.458 -11.418 -8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.878 -10.397 -9.406 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.234 -9.855 -7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -19.420 -8.750 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.602 -9.932 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.759 -11.456 -6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -17.100 -10.886 -6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.341 -10.164 -5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.663 -12.467 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -18.234 -12.275 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.000 -12.974 -5.794 1.00 0.00 H new ATOM 411 N LEU A 26 -21.896 -8.847 -10.650 1.00 0.00 N ATOM 412 CA LEU A 26 -21.917 -7.878 -11.743 1.00 0.00 C ATOM 413 C LEU A 26 -23.222 -7.085 -11.740 1.00 0.00 C ATOM 414 O LEU A 26 -23.944 -7.056 -12.737 1.00 0.00 O ATOM 415 CB LEU A 26 -21.741 -8.591 -13.085 1.00 0.00 C ATOM 416 CG LEU A 26 -20.368 -9.232 -13.303 1.00 0.00 C ATOM 417 CD1 LEU A 26 -20.516 -10.620 -13.909 1.00 0.00 C ATOM 418 CD2 LEU A 26 -19.504 -8.351 -14.191 1.00 0.00 C ATOM 0 H LEU A 26 -22.160 -9.794 -10.922 1.00 0.00 H new ATOM 0 HA LEU A 26 -21.090 -7.183 -11.598 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.504 -9.365 -13.171 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -21.922 -7.875 -13.886 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.877 -9.331 -12.335 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.530 -11.060 -14.057 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -21.097 -11.251 -13.236 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.027 -10.545 -14.869 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.532 -8.822 -14.335 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.991 -8.220 -15.157 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.369 -7.378 -13.718 1.00 0.00 H new ATOM 592 N PRO A 36 -30.752 -13.864 -19.360 1.00 0.00 N ATOM 593 CA PRO A 36 -29.352 -14.296 -19.406 1.00 0.00 C ATOM 594 C PRO A 36 -29.228 -15.771 -19.767 1.00 0.00 C ATOM 595 O PRO A 36 -29.883 -16.618 -19.161 1.00 0.00 O ATOM 596 CB PRO A 36 -28.841 -14.048 -17.979 1.00 0.00 C ATOM 597 CG PRO A 36 -30.067 -13.893 -17.142 1.00 0.00 C ATOM 598 CD PRO A 36 -31.114 -13.310 -18.047 1.00 0.00 C ATOM 0 HA PRO A 36 -28.784 -13.759 -20.166 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -28.229 -14.880 -17.630 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.219 -13.154 -17.934 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -30.389 -14.854 -16.740 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.878 -13.239 -16.291 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -32.119 -13.605 -17.746 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.088 -12.220 -18.046 1.00 0.00 H new ATOM 606 N HIS A 37 -28.394 -16.083 -20.756 1.00 0.00 N ATOM 607 CA HIS A 37 -28.218 -17.469 -21.172 1.00 0.00 C ATOM 608 C HIS A 37 -26.743 -17.819 -21.343 1.00 0.00 C ATOM 609 O HIS A 37 -25.985 -17.082 -21.973 1.00 0.00 O ATOM 610 CB HIS A 37 -28.973 -17.735 -22.477 1.00 0.00 C ATOM 611 CG HIS A 37 -29.426 -19.154 -22.627 1.00 0.00 C ATOM 612 ND1 HIS A 37 -30.678 -19.499 -23.092 1.00 0.00 N ATOM 613 CD2 HIS A 37 -28.787 -20.321 -22.371 1.00 0.00 C ATOM 614 CE1 HIS A 37 -30.789 -20.816 -23.114 1.00 0.00 C ATOM 615 NE2 HIS A 37 -29.656 -21.337 -22.682 1.00 0.00 N ATOM 0 H HIS A 37 -27.838 -15.405 -21.277 1.00 0.00 H new ATOM 0 HA HIS A 37 -28.627 -18.103 -20.385 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -29.841 -17.078 -22.525 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -28.330 -17.476 -23.318 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -31.404 -18.841 -23.375 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -27.781 -20.431 -21.993 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -31.659 -21.371 -23.432 1.00 0.00 H new ATOM 624 N ILE A 38 -26.349 -18.953 -20.778 1.00 0.00 N ATOM 625 CA ILE A 38 -24.971 -19.421 -20.862 1.00 0.00 C ATOM 626 C ILE A 38 -24.910 -20.813 -21.475 1.00 0.00 C ATOM 627 O ILE A 38 -25.673 -21.704 -21.103 1.00 0.00 O ATOM 628 CB ILE A 38 -24.299 -19.451 -19.476 1.00 0.00 C ATOM 629 CG1 ILE A 38 -24.560 -18.143 -18.727 1.00 0.00 C ATOM 630 CG2 ILE A 38 -22.803 -19.697 -19.618 1.00 0.00 C ATOM 631 CD1 ILE A 38 -24.058 -16.917 -19.458 1.00 0.00 C ATOM 0 H ILE A 38 -26.969 -19.570 -20.253 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.433 -18.718 -21.498 1.00 0.00 H new ATOM 0 HB ILE A 38 -24.730 -20.269 -18.899 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -25.631 -18.040 -18.555 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -24.083 -18.193 -17.748 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.342 -19.716 -18.630 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -22.637 -20.653 -20.114 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.358 -18.898 -20.211 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -24.277 -16.027 -18.869 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -22.981 -16.998 -19.607 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -24.553 -16.842 -20.426 1.00 0.00 H new ATOM 643 N ILE A 39 -23.994 -20.993 -22.421 1.00 0.00 N ATOM 644 CA ILE A 39 -23.826 -22.274 -23.092 1.00 0.00 C ATOM 645 C ILE A 39 -22.415 -22.811 -22.891 1.00 0.00 C ATOM 646 O ILE A 39 -21.446 -22.051 -22.893 1.00 0.00 O ATOM 647 CB ILE A 39 -24.110 -22.158 -24.602 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.459 -21.475 -24.838 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.086 -23.532 -25.253 1.00 0.00 C ATOM 650 CD1 ILE A 39 -25.804 -21.309 -26.302 1.00 0.00 C ATOM 0 H ILE A 39 -23.355 -20.264 -22.740 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.544 -22.964 -22.649 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.330 -21.548 -25.057 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -26.242 -22.057 -24.352 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -25.449 -20.495 -24.362 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.288 -23.433 -26.319 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.105 -23.985 -25.110 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -24.847 -24.164 -24.796 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -26.773 -20.818 -26.394 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -25.041 -20.701 -26.789 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -25.847 -22.288 -26.779 1.00 0.00 H new ATOM 662 N LEU A 40 -22.303 -24.123 -22.720 1.00 0.00 N ATOM 663 CA LEU A 40 -21.008 -24.761 -22.518 1.00 0.00 C ATOM 664 C LEU A 40 -20.746 -25.808 -23.595 1.00 0.00 C ATOM 665 O LEU A 40 -21.566 -26.697 -23.828 1.00 0.00 O ATOM 666 CB LEU A 40 -20.945 -25.408 -21.135 1.00 0.00 C ATOM 667 CG LEU A 40 -20.650 -24.447 -19.984 1.00 0.00 C ATOM 668 CD1 LEU A 40 -21.337 -24.912 -18.710 1.00 0.00 C ATOM 669 CD2 LEU A 40 -19.150 -24.322 -19.767 1.00 0.00 C ATOM 0 H LEU A 40 -23.095 -24.766 -22.717 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.237 -23.993 -22.587 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.896 -25.904 -20.939 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.178 -26.182 -21.147 1.00 0.00 H new ATOM 0 HG LEU A 40 -21.043 -23.465 -20.246 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -21.115 -24.215 -17.902 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -22.414 -24.950 -18.871 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -20.975 -25.905 -18.443 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -18.958 -23.634 -18.944 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -18.734 -25.301 -19.527 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -18.681 -23.942 -20.675 1.00 0.00 H new ATOM 681 N SER A 41 -19.593 -25.695 -24.245 1.00 0.00 N ATOM 682 CA SER A 41 -19.207 -26.626 -25.296 1.00 0.00 C ATOM 683 C SER A 41 -17.853 -27.255 -24.985 1.00 0.00 C ATOM 684 O SER A 41 -17.314 -27.080 -23.892 1.00 0.00 O ATOM 685 CB SER A 41 -19.153 -25.910 -26.647 1.00 0.00 C ATOM 686 OG SER A 41 -20.063 -24.825 -26.686 1.00 0.00 O ATOM 0 H SER A 41 -18.907 -24.963 -24.060 1.00 0.00 H new ATOM 0 HA SER A 41 -19.956 -27.417 -25.345 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.142 -25.547 -26.830 1.00 0.00 H new ATOM 0 HB3 SER A 41 -19.388 -26.614 -27.445 1.00 0.00 H new ATOM 0 HG SER A 41 -20.008 -24.383 -27.559 1.00 0.00 H new ATOM 692 N LYS A 42 -17.308 -27.986 -25.950 1.00 0.00 N ATOM 693 CA LYS A 42 -16.019 -28.643 -25.772 1.00 0.00 C ATOM 694 C LYS A 42 -15.538 -29.264 -27.076 1.00 0.00 C ATOM 695 O LYS A 42 -16.331 -29.749 -27.881 1.00 0.00 O ATOM 696 CB LYS A 42 -16.123 -29.719 -24.689 1.00 0.00 C ATOM 697 CG LYS A 42 -14.844 -30.520 -24.495 1.00 0.00 C ATOM 698 CD LYS A 42 -14.759 -31.681 -25.473 1.00 0.00 C ATOM 699 CE LYS A 42 -14.237 -32.942 -24.802 1.00 0.00 C ATOM 700 NZ LYS A 42 -12.963 -33.410 -25.413 1.00 0.00 N ATOM 0 H LYS A 42 -17.738 -28.139 -26.862 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.294 -27.890 -25.463 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.391 -29.246 -23.744 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.933 -30.402 -24.945 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.981 -29.867 -24.628 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.803 -30.899 -23.474 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.745 -31.875 -25.895 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.104 -31.412 -26.302 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.081 -32.750 -23.740 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.986 -33.730 -24.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.376 -33.867 -24.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.171 -34.093 -26.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.450 -32.598 -25.812 1.00 0.00 H new ATOM 714 N GLU A 43 -14.227 -29.255 -27.260 1.00 0.00 N ATOM 715 CA GLU A 43 -13.608 -29.826 -28.445 1.00 0.00 C ATOM 716 C GLU A 43 -12.453 -30.723 -28.021 1.00 0.00 C ATOM 717 O GLU A 43 -12.036 -30.691 -26.864 1.00 0.00 O ATOM 718 CB GLU A 43 -13.111 -28.717 -29.375 1.00 0.00 C ATOM 719 CG GLU A 43 -14.219 -28.057 -30.177 1.00 0.00 C ATOM 720 CD GLU A 43 -14.606 -28.857 -31.406 1.00 0.00 C ATOM 721 OE1 GLU A 43 -13.703 -29.214 -32.191 1.00 0.00 O ATOM 722 OE2 GLU A 43 -15.813 -29.126 -31.584 1.00 0.00 O ATOM 0 H GLU A 43 -13.565 -28.854 -26.596 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.344 -30.418 -28.989 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.601 -27.958 -28.782 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.374 -29.133 -30.062 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.095 -27.928 -29.541 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.898 -27.061 -30.483 1.00 0.00 H new ATOM 729 N PRO A 44 -11.922 -31.550 -28.935 1.00 0.00 N ATOM 730 CA PRO A 44 -10.820 -32.455 -28.607 1.00 0.00 C ATOM 731 C PRO A 44 -9.681 -31.747 -27.892 1.00 0.00 C ATOM 732 O PRO A 44 -8.869 -32.373 -27.211 1.00 0.00 O ATOM 733 CB PRO A 44 -10.375 -32.977 -29.965 1.00 0.00 C ATOM 734 CG PRO A 44 -11.599 -32.902 -30.813 1.00 0.00 C ATOM 735 CD PRO A 44 -12.352 -31.687 -30.339 1.00 0.00 C ATOM 0 HA PRO A 44 -11.127 -33.243 -27.920 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.568 -32.372 -30.378 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.003 -33.999 -29.895 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.339 -32.814 -31.868 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.204 -33.803 -30.708 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.100 -30.803 -30.925 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.430 -31.825 -30.418 1.00 0.00 H new ATOM 743 N GLN A 45 -9.640 -30.436 -28.042 1.00 0.00 N ATOM 744 CA GLN A 45 -8.626 -29.624 -27.408 1.00 0.00 C ATOM 745 C GLN A 45 -9.051 -29.267 -25.994 1.00 0.00 C ATOM 746 O GLN A 45 -8.556 -29.836 -25.022 1.00 0.00 O ATOM 747 CB GLN A 45 -8.365 -28.356 -28.227 1.00 0.00 C ATOM 748 CG GLN A 45 -7.320 -27.440 -27.613 1.00 0.00 C ATOM 749 CD GLN A 45 -7.145 -26.150 -28.392 1.00 0.00 C ATOM 750 OE1 GLN A 45 -6.368 -26.087 -29.344 1.00 0.00 O ATOM 751 NE2 GLN A 45 -7.870 -25.112 -27.990 1.00 0.00 N ATOM 0 H GLN A 45 -10.307 -29.909 -28.605 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.700 -30.196 -27.360 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.043 -28.640 -29.229 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.299 -27.805 -28.337 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.606 -27.205 -26.588 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.365 -27.964 -27.566 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.502 -25.209 -27.195 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.795 -24.218 -28.476 1.00 0.00 H new ATOM 760 N GLY A 46 -9.959 -28.313 -25.889 1.00 0.00 N ATOM 761 CA GLY A 46 -10.430 -27.879 -24.587 1.00 0.00 C ATOM 762 C GLY A 46 -11.911 -27.556 -24.580 1.00 0.00 C ATOM 763 O GLY A 46 -12.665 -28.057 -25.412 1.00 0.00 O ATOM 0 H GLY A 46 -10.381 -27.829 -26.681 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.229 -28.660 -23.853 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.868 -26.998 -24.277 1.00 0.00 H new ATOM 767 N PHE A 47 -12.331 -26.727 -23.628 1.00 0.00 N ATOM 768 CA PHE A 47 -13.739 -26.355 -23.513 1.00 0.00 C ATOM 769 C PHE A 47 -13.999 -24.918 -23.933 1.00 0.00 C ATOM 770 O PHE A 47 -13.137 -24.047 -23.820 1.00 0.00 O ATOM 771 CB PHE A 47 -14.222 -26.578 -22.088 1.00 0.00 C ATOM 772 CG PHE A 47 -13.878 -27.940 -21.594 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.596 -28.221 -21.168 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.825 -28.945 -21.584 1.00 0.00 C ATOM 775 CE1 PHE A 47 -12.260 -29.483 -20.736 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.500 -30.212 -21.151 1.00 0.00 C ATOM 777 CZ PHE A 47 -13.212 -30.484 -20.726 1.00 0.00 C ATOM 0 H PHE A 47 -11.721 -26.302 -22.929 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.297 -26.995 -24.197 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.776 -25.830 -21.432 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.302 -26.438 -22.044 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.848 -27.442 -21.174 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.830 -28.736 -21.919 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.253 -29.691 -20.405 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -15.249 -30.990 -21.143 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.951 -31.476 -20.387 1.00 0.00 H new ATOM 787 N VAL A 48 -15.212 -24.698 -24.423 1.00 0.00 N ATOM 788 CA VAL A 48 -15.641 -23.387 -24.881 1.00 0.00 C ATOM 789 C VAL A 48 -16.917 -22.960 -24.162 1.00 0.00 C ATOM 790 O VAL A 48 -17.790 -23.781 -23.894 1.00 0.00 O ATOM 791 CB VAL A 48 -15.880 -23.390 -26.405 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.531 -22.093 -26.864 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.573 -23.626 -27.145 1.00 0.00 C ATOM 0 H VAL A 48 -15.924 -25.423 -24.513 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.848 -22.676 -24.651 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.565 -24.205 -26.638 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.686 -22.126 -27.942 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.491 -21.970 -26.363 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.882 -21.253 -26.616 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -14.758 -23.625 -28.219 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.867 -22.833 -26.898 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.156 -24.589 -26.849 1.00 0.00 H new ATOM 803 N ALA A 49 -17.020 -21.674 -23.849 1.00 0.00 N ATOM 804 CA ALA A 49 -18.193 -21.151 -23.161 1.00 0.00 C ATOM 805 C ALA A 49 -18.697 -19.879 -23.830 1.00 0.00 C ATOM 806 O ALA A 49 -17.946 -18.921 -24.003 1.00 0.00 O ATOM 807 CB ALA A 49 -17.872 -20.888 -21.697 1.00 0.00 C ATOM 0 H ALA A 49 -16.307 -20.976 -24.060 1.00 0.00 H new ATOM 0 HA ALA A 49 -18.983 -21.900 -23.219 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.757 -20.498 -21.195 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.564 -21.818 -21.219 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.064 -20.160 -21.627 1.00 0.00 H new ATOM 813 N ASP A 50 -19.973 -19.874 -24.204 1.00 0.00 N ATOM 814 CA ASP A 50 -20.574 -18.713 -24.850 1.00 0.00 C ATOM 815 C ASP A 50 -21.713 -18.164 -24.000 1.00 0.00 C ATOM 816 O ASP A 50 -22.421 -18.924 -23.340 1.00 0.00 O ATOM 817 CB ASP A 50 -21.095 -19.088 -26.238 1.00 0.00 C ATOM 818 CG ASP A 50 -19.976 -19.408 -27.210 1.00 0.00 C ATOM 819 OD1 ASP A 50 -19.110 -20.240 -26.863 1.00 0.00 O ATOM 820 OD2 ASP A 50 -19.967 -18.829 -28.316 1.00 0.00 O ATOM 0 H ASP A 50 -20.609 -20.660 -24.071 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.810 -17.943 -24.955 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.757 -19.950 -26.154 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.692 -18.266 -26.633 1.00 0.00 H new ATOM 825 N ALA A 51 -21.889 -16.849 -24.013 1.00 0.00 N ATOM 826 CA ALA A 51 -22.951 -16.231 -23.231 1.00 0.00 C ATOM 827 C ALA A 51 -23.548 -15.025 -23.949 1.00 0.00 C ATOM 828 O ALA A 51 -22.833 -14.259 -24.596 1.00 0.00 O ATOM 829 CB ALA A 51 -22.428 -15.824 -21.862 1.00 0.00 C ATOM 0 H ALA A 51 -21.317 -16.197 -24.550 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.744 -16.968 -23.106 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.232 -15.363 -21.288 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.064 -16.706 -21.335 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.612 -15.111 -21.981 1.00 0.00 H new ATOM 835 N THR A 52 -24.859 -14.862 -23.828 1.00 0.00 N ATOM 836 CA THR A 52 -25.549 -13.746 -24.461 1.00 0.00 C ATOM 837 C THR A 52 -26.554 -13.122 -23.499 1.00 0.00 C ATOM 838 O THR A 52 -27.294 -13.832 -22.817 1.00 0.00 O ATOM 839 CB THR A 52 -26.263 -14.214 -25.730 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.408 -15.023 -26.517 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.746 -13.074 -26.601 1.00 0.00 C ATOM 0 H THR A 52 -25.465 -15.488 -23.298 1.00 0.00 H new ATOM 0 HA THR A 52 -24.808 -12.993 -24.729 1.00 0.00 H new ATOM 0 HB THR A 52 -27.130 -14.776 -25.382 1.00 0.00 H new ATOM 0 HG1 THR A 52 -25.883 -15.314 -27.323 1.00 0.00 H new ATOM 0 HG21 THR A 52 -27.243 -13.476 -27.484 1.00 0.00 H new ATOM 0 HG22 THR A 52 -27.448 -12.458 -26.038 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.896 -12.466 -26.909 1.00 0.00 H new ATOM 849 N ILE A 53 -26.579 -11.793 -23.442 1.00 0.00 N ATOM 850 CA ILE A 53 -27.496 -11.083 -22.558 1.00 0.00 C ATOM 851 C ILE A 53 -28.208 -9.958 -23.302 1.00 0.00 C ATOM 852 O ILE A 53 -27.577 -9.179 -24.017 1.00 0.00 O ATOM 853 CB ILE A 53 -26.765 -10.483 -21.339 1.00 0.00 C ATOM 854 CG1 ILE A 53 -25.615 -11.392 -20.893 1.00 0.00 C ATOM 855 CG2 ILE A 53 -27.743 -10.255 -20.197 1.00 0.00 C ATOM 856 CD1 ILE A 53 -26.069 -12.716 -20.318 1.00 0.00 C ATOM 0 H ILE A 53 -25.975 -11.187 -23.997 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.224 -11.816 -22.210 1.00 0.00 H new ATOM 0 HB ILE A 53 -26.342 -9.522 -21.630 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -24.963 -11.582 -21.746 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.019 -10.868 -20.146 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.213 -9.831 -19.344 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.523 -9.565 -20.519 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.194 -11.205 -19.909 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -25.199 -13.303 -20.025 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -26.696 -12.537 -19.445 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -26.639 -13.262 -21.069 1.00 0.00 H new ATOM 868 N ASN A 54 -29.521 -9.870 -23.122 1.00 0.00 N ATOM 869 CA ASN A 54 -30.315 -8.830 -23.767 1.00 0.00 C ATOM 870 C ASN A 54 -30.790 -7.806 -22.741 1.00 0.00 C ATOM 871 O ASN A 54 -31.471 -8.153 -21.777 1.00 0.00 O ATOM 872 CB ASN A 54 -31.517 -9.448 -24.485 1.00 0.00 C ATOM 873 CG ASN A 54 -31.134 -10.650 -25.326 1.00 0.00 C ATOM 874 OD1 ASN A 54 -29.955 -10.887 -25.590 1.00 0.00 O ATOM 875 ND2 ASN A 54 -32.131 -11.416 -25.753 1.00 0.00 N ATOM 0 H ASN A 54 -30.059 -10.507 -22.534 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.687 -8.324 -24.500 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -32.263 -9.747 -23.748 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -31.982 -8.696 -25.122 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -31.934 -12.238 -26.324 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -33.094 -11.182 -25.510 1.00 0.00 H new ATOM 882 N THR A 55 -30.429 -6.543 -22.949 1.00 0.00 N ATOM 883 CA THR A 55 -30.826 -5.481 -22.031 1.00 0.00 C ATOM 884 C THR A 55 -31.624 -4.398 -22.755 1.00 0.00 C ATOM 885 O THR A 55 -31.626 -4.336 -23.985 1.00 0.00 O ATOM 886 CB THR A 55 -29.594 -4.863 -21.366 1.00 0.00 C ATOM 887 OG1 THR A 55 -28.630 -4.498 -22.339 1.00 0.00 O ATOM 888 CG2 THR A 55 -28.919 -5.790 -20.376 1.00 0.00 C ATOM 0 H THR A 55 -29.866 -6.232 -23.740 1.00 0.00 H new ATOM 0 HA THR A 55 -31.462 -5.922 -21.264 1.00 0.00 H new ATOM 0 HB THR A 55 -29.963 -3.990 -20.828 1.00 0.00 H new ATOM 0 HG1 THR A 55 -29.070 -4.379 -23.207 1.00 0.00 H new ATOM 0 HG21 THR A 55 -28.053 -5.290 -19.941 1.00 0.00 H new ATOM 0 HG22 THR A 55 -29.622 -6.052 -19.585 1.00 0.00 H new ATOM 0 HG23 THR A 55 -28.595 -6.696 -20.888 1.00 0.00 H new ATOM 896 N PRO A 56 -32.313 -3.527 -21.999 1.00 0.00 N ATOM 897 CA PRO A 56 -33.117 -2.441 -22.571 1.00 0.00 C ATOM 898 C PRO A 56 -32.269 -1.395 -23.294 1.00 0.00 C ATOM 899 O PRO A 56 -32.800 -0.538 -24.000 1.00 0.00 O ATOM 900 CB PRO A 56 -33.807 -1.810 -21.351 1.00 0.00 C ATOM 901 CG PRO A 56 -33.647 -2.801 -20.247 1.00 0.00 C ATOM 902 CD PRO A 56 -32.367 -3.531 -20.531 1.00 0.00 C ATOM 0 HA PRO A 56 -33.810 -2.817 -23.324 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -33.349 -0.855 -21.091 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -34.860 -1.614 -21.553 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -33.606 -2.303 -19.278 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -34.491 -3.490 -20.216 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -31.507 -3.026 -20.093 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -32.381 -4.544 -20.129 1.00 0.00 H new ATOM 910 N ASN A 57 -30.952 -1.461 -23.110 1.00 0.00 N ATOM 911 CA ASN A 57 -30.046 -0.507 -23.745 1.00 0.00 C ATOM 912 C ASN A 57 -29.189 -1.169 -24.824 1.00 0.00 C ATOM 913 O ASN A 57 -28.413 -0.498 -25.504 1.00 0.00 O ATOM 914 CB ASN A 57 -29.142 0.142 -22.695 1.00 0.00 C ATOM 915 CG ASN A 57 -29.929 0.867 -21.621 1.00 0.00 C ATOM 916 OD1 ASN A 57 -29.985 2.097 -21.601 1.00 0.00 O ATOM 917 ND2 ASN A 57 -30.542 0.106 -20.722 1.00 0.00 N ATOM 0 H ASN A 57 -30.490 -2.161 -22.529 1.00 0.00 H new ATOM 0 HA ASN A 57 -30.659 0.257 -24.224 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -28.521 -0.624 -22.231 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -28.468 0.845 -23.185 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -31.087 0.537 -19.975 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -30.468 -0.910 -20.778 1.00 0.00 H new ATOM 924 N GLY A 58 -29.328 -2.483 -24.981 1.00 0.00 N ATOM 925 CA GLY A 58 -28.552 -3.191 -25.984 1.00 0.00 C ATOM 926 C GLY A 58 -28.309 -4.641 -25.621 1.00 0.00 C ATOM 927 O GLY A 58 -28.935 -5.173 -24.706 1.00 0.00 O ATOM 0 H GLY A 58 -29.961 -3.067 -24.435 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -29.073 -3.143 -26.940 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -27.594 -2.689 -26.117 1.00 0.00 H new ATOM 931 N VAL A 59 -27.397 -5.283 -26.343 1.00 0.00 N ATOM 932 CA VAL A 59 -27.072 -6.682 -26.096 1.00 0.00 C ATOM 933 C VAL A 59 -25.562 -6.892 -26.024 1.00 0.00 C ATOM 934 O VAL A 59 -24.806 -6.292 -26.789 1.00 0.00 O ATOM 935 CB VAL A 59 -27.653 -7.595 -27.193 1.00 0.00 C ATOM 936 CG1 VAL A 59 -27.514 -9.058 -26.801 1.00 0.00 C ATOM 937 CG2 VAL A 59 -29.107 -7.245 -27.466 1.00 0.00 C ATOM 0 H VAL A 59 -26.870 -4.856 -27.105 1.00 0.00 H new ATOM 0 HA VAL A 59 -27.519 -6.946 -25.138 1.00 0.00 H new ATOM 0 HB VAL A 59 -27.087 -7.433 -28.110 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -27.930 -9.687 -27.588 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -26.460 -9.299 -26.663 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -28.052 -9.238 -25.870 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -29.499 -7.901 -28.243 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -29.690 -7.374 -26.554 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -29.176 -6.209 -27.797 1.00 0.00 H new ATOM 947 N LEU A 60 -25.131 -7.745 -25.101 1.00 0.00 N ATOM 948 CA LEU A 60 -23.711 -8.034 -24.930 1.00 0.00 C ATOM 949 C LEU A 60 -23.418 -9.505 -25.208 1.00 0.00 C ATOM 950 O LEU A 60 -24.290 -10.360 -25.057 1.00 0.00 O ATOM 951 CB LEU A 60 -23.262 -7.673 -23.512 1.00 0.00 C ATOM 952 CG LEU A 60 -23.860 -6.382 -22.952 1.00 0.00 C ATOM 953 CD1 LEU A 60 -23.842 -6.401 -21.431 1.00 0.00 C ATOM 954 CD2 LEU A 60 -23.103 -5.173 -23.480 1.00 0.00 C ATOM 0 H LEU A 60 -25.744 -8.248 -24.460 1.00 0.00 H new ATOM 0 HA LEU A 60 -23.154 -7.429 -25.646 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -23.522 -8.495 -22.845 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.176 -7.586 -23.503 1.00 0.00 H new ATOM 0 HG LEU A 60 -24.896 -6.311 -23.282 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -24.271 -5.474 -21.050 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -24.427 -7.247 -21.071 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -22.814 -6.495 -21.080 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -23.541 -4.262 -23.072 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -22.057 -5.239 -23.179 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -23.167 -5.150 -24.568 1.00 0.00 H new ATOM 966 N VAL A 61 -22.185 -9.795 -25.614 1.00 0.00 N ATOM 967 CA VAL A 61 -21.781 -11.164 -25.908 1.00 0.00 C ATOM 968 C VAL A 61 -20.363 -11.442 -25.415 1.00 0.00 C ATOM 969 O VAL A 61 -19.525 -10.542 -25.367 1.00 0.00 O ATOM 970 CB VAL A 61 -21.863 -11.461 -27.419 1.00 0.00 C ATOM 971 CG1 VAL A 61 -20.897 -10.577 -28.198 1.00 0.00 C ATOM 972 CG2 VAL A 61 -21.592 -12.934 -27.688 1.00 0.00 C ATOM 0 H VAL A 61 -21.450 -9.100 -25.746 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.475 -11.819 -25.380 1.00 0.00 H new ATOM 0 HB VAL A 61 -22.873 -11.233 -27.760 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -20.973 -10.804 -29.261 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -21.148 -9.529 -28.032 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.878 -10.764 -27.858 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.654 -13.126 -28.759 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.595 -13.192 -27.330 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -22.333 -13.541 -27.167 1.00 0.00 H new ATOM 982 N ALA A 62 -20.105 -12.692 -25.046 1.00 0.00 N ATOM 983 CA ALA A 62 -18.789 -13.089 -24.552 1.00 0.00 C ATOM 984 C ALA A 62 -18.527 -14.573 -24.795 1.00 0.00 C ATOM 985 O ALA A 62 -19.456 -15.371 -24.916 1.00 0.00 O ATOM 986 CB ALA A 62 -18.657 -12.760 -23.074 1.00 0.00 C ATOM 0 H ALA A 62 -20.789 -13.448 -25.079 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.039 -12.524 -25.106 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.671 -13.062 -22.721 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.782 -11.687 -22.927 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.423 -13.295 -22.512 1.00 0.00 H new ATOM 992 N SER A 63 -17.246 -14.925 -24.881 1.00 0.00 N ATOM 993 CA SER A 63 -16.844 -16.307 -25.126 1.00 0.00 C ATOM 994 C SER A 63 -15.557 -16.663 -24.382 1.00 0.00 C ATOM 995 O SER A 63 -14.760 -15.790 -24.038 1.00 0.00 O ATOM 996 CB SER A 63 -16.654 -16.538 -26.627 1.00 0.00 C ATOM 997 OG SER A 63 -17.305 -17.726 -27.046 1.00 0.00 O ATOM 0 H SER A 63 -16.469 -14.272 -24.785 1.00 0.00 H new ATOM 0 HA SER A 63 -17.638 -16.954 -24.751 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.050 -15.687 -27.182 1.00 0.00 H new ATOM 0 HB3 SER A 63 -15.590 -16.602 -26.857 1.00 0.00 H new ATOM 0 HG SER A 63 -17.170 -17.851 -28.009 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.364 -17.960 -24.151 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.177 -18.441 -23.465 1.00 0.00 C ATOM 1005 C GLY A 64 -13.818 -19.853 -23.892 1.00 0.00 C ATOM 1006 O GLY A 64 -14.488 -20.812 -23.509 1.00 0.00 O ATOM 0 H GLY A 64 -16.016 -18.693 -24.430 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.341 -17.774 -23.673 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.344 -18.417 -22.388 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.776 -19.980 -24.708 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.346 -21.282 -25.215 1.00 0.00 C ATOM 1012 C LYS A 65 -11.045 -21.756 -24.572 1.00 0.00 C ATOM 1013 O LYS A 65 -10.157 -22.266 -25.256 1.00 0.00 O ATOM 1014 CB LYS A 65 -12.178 -21.221 -26.735 1.00 0.00 C ATOM 1015 CG LYS A 65 -13.348 -20.562 -27.450 1.00 0.00 C ATOM 1016 CD LYS A 65 -12.873 -19.610 -28.536 1.00 0.00 C ATOM 1017 CE LYS A 65 -12.287 -20.362 -29.720 1.00 0.00 C ATOM 1018 NZ LYS A 65 -12.415 -19.591 -30.986 1.00 0.00 N ATOM 0 H LYS A 65 -12.211 -19.196 -25.034 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.121 -22.002 -24.954 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.265 -20.674 -26.970 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.051 -22.233 -27.119 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.985 -21.329 -27.890 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.957 -20.017 -26.728 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.707 -18.994 -28.872 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.123 -18.934 -28.126 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.235 -20.575 -29.530 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.793 -21.322 -29.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.004 -20.138 -31.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.420 -19.409 -31.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.911 -18.686 -30.894 1.00 0.00 H new ATOM 1032 N HIS A 66 -10.945 -21.616 -23.257 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.757 -22.066 -22.539 1.00 0.00 C ATOM 1034 C HIS A 66 -9.766 -23.586 -22.394 1.00 0.00 C ATOM 1035 O HIS A 66 -10.823 -24.220 -22.440 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.666 -21.412 -21.160 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.284 -21.442 -20.584 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -7.929 -22.226 -19.506 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.158 -20.786 -20.954 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.647 -22.053 -19.239 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.156 -21.184 -20.103 1.00 0.00 N ATOM 0 H HIS A 66 -11.665 -21.198 -22.668 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.883 -21.768 -23.119 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.000 -20.377 -21.233 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.348 -21.920 -20.478 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.065 -20.081 -21.767 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.095 -22.540 -18.449 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.189 -20.861 -20.134 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.586 -24.172 -22.219 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.468 -25.617 -22.065 1.00 0.00 C ATOM 1052 C GLU A 67 -9.234 -26.104 -20.836 1.00 0.00 C ATOM 1053 O GLU A 67 -9.666 -27.256 -20.778 1.00 0.00 O ATOM 1054 CB GLU A 67 -6.989 -26.010 -21.961 1.00 0.00 C ATOM 1055 CG GLU A 67 -6.757 -27.430 -21.464 1.00 0.00 C ATOM 1056 CD GLU A 67 -5.711 -28.170 -22.274 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -5.583 -27.881 -23.483 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -5.019 -29.038 -21.702 1.00 0.00 O ATOM 0 H GLU A 67 -7.699 -23.669 -22.180 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.905 -26.093 -22.943 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.525 -25.899 -22.941 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.486 -25.315 -21.289 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.447 -27.399 -20.420 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.696 -27.982 -21.501 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.386 -25.226 -19.851 1.00 0.00 N ATOM 1066 CA ASP A 68 -10.085 -25.573 -18.618 1.00 0.00 C ATOM 1067 C ASP A 68 -11.538 -25.105 -18.649 1.00 0.00 C ATOM 1068 O ASP A 68 -11.820 -23.923 -18.848 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.366 -24.963 -17.415 1.00 0.00 C ATOM 1070 CG ASP A 68 -10.002 -25.362 -16.097 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -11.038 -24.768 -15.733 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -9.463 -26.270 -15.430 1.00 0.00 O ATOM 0 H ASP A 68 -9.035 -24.269 -19.882 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.082 -26.659 -18.528 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.322 -25.277 -17.421 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.372 -23.877 -17.504 1.00 0.00 H new ATOM 1077 N MET A 69 -12.453 -26.048 -18.447 1.00 0.00 N ATOM 1078 CA MET A 69 -13.885 -25.759 -18.444 1.00 0.00 C ATOM 1079 C MET A 69 -14.219 -24.550 -17.571 1.00 0.00 C ATOM 1080 O MET A 69 -14.927 -23.638 -17.998 1.00 0.00 O ATOM 1081 CB MET A 69 -14.660 -26.979 -17.944 1.00 0.00 C ATOM 1082 CG MET A 69 -16.169 -26.796 -17.975 1.00 0.00 C ATOM 1083 SD MET A 69 -17.061 -28.360 -17.894 1.00 0.00 S ATOM 1084 CE MET A 69 -18.621 -27.824 -17.194 1.00 0.00 C ATOM 0 H MET A 69 -12.226 -27.029 -18.282 1.00 0.00 H new ATOM 0 HA MET A 69 -14.176 -25.525 -19.468 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.395 -27.843 -18.554 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.350 -27.202 -16.923 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.472 -26.166 -17.139 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.448 -26.270 -18.888 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.320 -28.660 -17.181 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.460 -27.469 -16.176 1.00 0.00 H new ATOM 0 HE3 MET A 69 -19.033 -27.016 -17.799 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.717 -24.562 -16.338 1.00 0.00 N ATOM 1095 CA TYR A 70 -13.973 -23.480 -15.392 1.00 0.00 C ATOM 1096 C TYR A 70 -13.330 -22.173 -15.845 1.00 0.00 C ATOM 1097 O TYR A 70 -13.896 -21.097 -15.653 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.458 -23.861 -14.003 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.358 -24.825 -13.265 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -14.342 -26.183 -13.558 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -15.227 -24.378 -12.277 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -15.165 -27.068 -12.886 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -16.052 -25.255 -11.601 1.00 0.00 C ATOM 1104 CZ TYR A 70 -16.017 -26.599 -11.909 1.00 0.00 C ATOM 1105 OH TYR A 70 -16.837 -27.477 -11.238 1.00 0.00 O ATOM 0 H TYR A 70 -13.130 -25.311 -15.971 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.051 -23.326 -15.349 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.468 -24.305 -14.102 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.343 -22.956 -13.407 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -13.676 -26.553 -14.323 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -15.258 -23.326 -12.034 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.140 -28.121 -13.125 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.721 -24.891 -10.835 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.374 -26.986 -10.581 1.00 0.00 H new ATOM 1115 N THR A 71 -12.148 -22.265 -16.444 1.00 0.00 N ATOM 1116 CA THR A 71 -11.446 -21.078 -16.915 1.00 0.00 C ATOM 1117 C THR A 71 -12.238 -20.393 -18.024 1.00 0.00 C ATOM 1118 O THR A 71 -12.356 -19.167 -18.048 1.00 0.00 O ATOM 1119 CB THR A 71 -10.048 -21.444 -17.413 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.277 -22.006 -16.367 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.279 -20.262 -17.963 1.00 0.00 C ATOM 0 H THR A 71 -11.659 -23.144 -16.614 1.00 0.00 H new ATOM 0 HA THR A 71 -11.347 -20.385 -16.079 1.00 0.00 H new ATOM 0 HB THR A 71 -10.207 -22.160 -18.219 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.344 -22.088 -16.656 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.296 -20.592 -18.299 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.824 -19.832 -18.803 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.162 -19.509 -17.183 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.786 -21.190 -18.935 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.576 -20.654 -20.036 1.00 0.00 C ATOM 1131 C ALA A 72 -14.793 -19.909 -19.502 1.00 0.00 C ATOM 1132 O ALA A 72 -15.079 -18.787 -19.921 1.00 0.00 O ATOM 1133 CB ALA A 72 -14.000 -21.767 -20.981 1.00 0.00 C ATOM 0 H ALA A 72 -12.698 -22.206 -18.933 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.959 -19.950 -20.594 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.589 -21.347 -21.797 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.115 -22.256 -21.387 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.601 -22.496 -20.438 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.503 -20.536 -18.569 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.684 -19.924 -17.975 1.00 0.00 C ATOM 1141 C ILE A 73 -16.317 -18.616 -17.279 1.00 0.00 C ATOM 1142 O ILE A 73 -16.980 -17.595 -17.463 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.352 -20.871 -16.957 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -17.752 -22.182 -17.634 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.563 -20.205 -16.321 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -17.694 -23.380 -16.711 1.00 0.00 C ATOM 0 H ILE A 73 -15.281 -21.464 -18.210 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.388 -19.722 -18.782 1.00 0.00 H new ATOM 0 HB ILE A 73 -16.633 -21.094 -16.169 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -18.764 -22.085 -18.027 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.095 -22.357 -18.486 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.021 -20.889 -15.606 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.250 -19.297 -15.806 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.287 -19.952 -17.095 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -17.990 -24.275 -17.258 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -16.677 -23.503 -16.338 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.373 -23.226 -15.872 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.253 -18.657 -16.485 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.791 -17.475 -15.767 1.00 0.00 C ATOM 1160 C ASN A 74 -14.336 -16.397 -16.745 1.00 0.00 C ATOM 1161 O ASN A 74 -14.588 -15.210 -16.537 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.648 -17.842 -14.816 1.00 0.00 C ATOM 1163 CG ASN A 74 -13.936 -17.440 -13.384 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -13.649 -18.185 -12.447 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -14.506 -16.254 -13.205 1.00 0.00 N ATOM 0 H ASN A 74 -14.695 -19.495 -16.322 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.622 -17.083 -15.181 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.473 -18.917 -14.860 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.731 -17.356 -15.150 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.723 -15.929 -12.263 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.727 -15.668 -14.010 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.672 -16.819 -17.817 1.00 0.00 N ATOM 1173 CA GLU A 75 -13.191 -15.889 -18.832 1.00 0.00 C ATOM 1174 C GLU A 75 -14.363 -15.221 -19.541 1.00 0.00 C ATOM 1175 O GLU A 75 -14.367 -14.005 -19.738 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.301 -16.612 -19.846 1.00 0.00 C ATOM 1177 CG GLU A 75 -10.992 -17.112 -19.260 1.00 0.00 C ATOM 1178 CD GLU A 75 -9.832 -16.177 -19.542 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -10.047 -14.946 -19.535 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -8.709 -16.675 -19.770 1.00 0.00 O ATOM 0 H GLU A 75 -13.455 -17.798 -18.005 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.598 -15.119 -18.338 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.850 -17.457 -20.261 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.084 -15.936 -20.673 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.103 -17.232 -18.182 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.768 -18.097 -19.669 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.365 -16.014 -19.908 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.545 -15.484 -20.577 1.00 0.00 C ATOM 1189 C LEU A 76 -17.136 -14.335 -19.764 1.00 0.00 C ATOM 1190 O LEU A 76 -17.252 -13.212 -20.258 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.585 -16.590 -20.790 1.00 0.00 C ATOM 1192 CG LEU A 76 -19.009 -16.105 -21.089 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.509 -16.686 -22.401 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -19.950 -16.472 -19.950 1.00 0.00 C ATOM 0 H LEU A 76 -15.382 -17.022 -19.754 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.252 -15.102 -21.555 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.254 -17.223 -21.614 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.612 -17.216 -19.898 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.987 -15.019 -21.181 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.521 -16.330 -22.595 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.852 -16.371 -23.212 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.513 -17.774 -22.339 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.955 -16.119 -20.181 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -19.965 -17.555 -19.825 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.604 -16.005 -19.028 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.489 -14.608 -18.512 1.00 0.00 N ATOM 1207 CA ILE A 77 -18.039 -13.573 -17.646 1.00 0.00 C ATOM 1208 C ILE A 77 -17.060 -12.408 -17.544 1.00 0.00 C ATOM 1209 O ILE A 77 -17.465 -11.253 -17.428 1.00 0.00 O ATOM 1210 CB ILE A 77 -18.358 -14.109 -16.236 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -19.265 -15.338 -16.327 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -19.013 -13.027 -15.388 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -19.018 -16.354 -15.232 1.00 0.00 C ATOM 0 H ILE A 77 -17.405 -15.527 -18.078 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.974 -13.235 -18.092 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.423 -14.401 -15.758 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -20.305 -15.016 -16.285 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.119 -15.817 -17.295 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.231 -13.424 -14.396 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.337 -12.176 -15.298 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.940 -12.705 -15.862 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.696 -17.198 -15.359 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -17.987 -16.705 -15.287 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.193 -15.892 -14.260 1.00 0.00 H new ATOM 1225 N ASN A 78 -15.768 -12.718 -17.620 1.00 0.00 N ATOM 1226 CA ASN A 78 -14.736 -11.713 -17.571 1.00 0.00 C ATOM 1227 C ASN A 78 -14.915 -10.713 -18.711 1.00 0.00 C ATOM 1228 O ASN A 78 -14.575 -9.536 -18.585 1.00 0.00 O ATOM 1229 CB ASN A 78 -13.385 -12.403 -17.673 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.337 -11.754 -16.806 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -11.748 -10.736 -17.167 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -12.103 -12.352 -15.651 1.00 0.00 N ATOM 0 H ASN A 78 -15.419 -13.672 -17.717 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.797 -11.163 -16.632 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.493 -13.449 -17.386 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.052 -12.390 -18.711 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.406 -11.971 -15.011 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.620 -13.195 -15.399 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.473 -11.196 -19.820 1.00 0.00 N ATOM 1240 CA LYS A 79 -15.728 -10.361 -20.988 1.00 0.00 C ATOM 1241 C LYS A 79 -17.057 -9.636 -20.836 1.00 0.00 C ATOM 1242 O LYS A 79 -17.235 -8.547 -21.382 1.00 0.00 O ATOM 1243 CB LYS A 79 -15.709 -11.191 -22.274 1.00 0.00 C ATOM 1244 CG LYS A 79 -14.307 -11.485 -22.788 1.00 0.00 C ATOM 1245 CD LYS A 79 -14.002 -12.974 -22.765 1.00 0.00 C ATOM 1246 CE LYS A 79 -12.835 -13.317 -23.678 1.00 0.00 C ATOM 1247 NZ LYS A 79 -12.397 -14.730 -23.514 1.00 0.00 N ATOM 0 H LYS A 79 -15.758 -12.169 -19.932 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.932 -9.620 -21.058 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.227 -12.133 -22.096 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.267 -10.662 -23.047 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.206 -11.108 -23.806 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.577 -10.954 -22.178 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.771 -13.284 -21.746 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.885 -13.532 -23.076 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.123 -13.144 -24.715 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.999 -12.651 -23.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.510 -14.881 -24.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.244 -14.931 -22.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.131 -15.366 -23.886 1.00 0.00 H new ATOM 1261 N LEU A 80 -17.972 -10.201 -20.055 1.00 0.00 N ATOM 1262 CA LEU A 80 -19.243 -9.538 -19.810 1.00 0.00 C ATOM 1263 C LEU A 80 -18.947 -8.221 -19.106 1.00 0.00 C ATOM 1264 O LEU A 80 -19.407 -7.152 -19.510 1.00 0.00 O ATOM 1265 CB LEU A 80 -20.153 -10.413 -18.945 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.508 -11.774 -19.548 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -21.329 -12.595 -18.566 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -21.263 -11.595 -20.856 1.00 0.00 C ATOM 0 H LEU A 80 -17.859 -11.101 -19.589 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.762 -9.360 -20.752 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.668 -10.575 -17.982 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -21.076 -9.868 -18.749 1.00 0.00 H new ATOM 0 HG LEU A 80 -19.583 -12.311 -19.755 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.572 -13.559 -19.012 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.754 -12.752 -17.653 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.250 -12.063 -18.328 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -21.508 -12.573 -21.272 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -22.182 -11.038 -20.672 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.641 -11.046 -21.563 1.00 0.00 H new ATOM 1280 N GLU A 81 -18.124 -8.327 -18.069 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.674 -7.188 -17.294 1.00 0.00 C ATOM 1282 C GLU A 81 -16.918 -6.205 -18.178 1.00 0.00 C ATOM 1283 O GLU A 81 -17.126 -4.995 -18.099 1.00 0.00 O ATOM 1284 CB GLU A 81 -16.767 -7.681 -16.176 1.00 0.00 C ATOM 1285 CG GLU A 81 -16.882 -6.874 -14.897 1.00 0.00 C ATOM 1286 CD GLU A 81 -16.566 -7.693 -13.660 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -16.683 -8.935 -13.724 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -16.204 -7.092 -12.627 1.00 0.00 O ATOM 0 H GLU A 81 -17.749 -9.218 -17.743 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.539 -6.675 -16.873 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.004 -8.723 -15.960 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.733 -7.654 -16.520 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -16.204 -6.022 -14.947 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -17.892 -6.473 -14.814 1.00 0.00 H new ATOM 1295 N ARG A 82 -16.037 -6.736 -19.014 1.00 0.00 N ATOM 1296 CA ARG A 82 -15.242 -5.904 -19.911 1.00 0.00 C ATOM 1297 C ARG A 82 -16.138 -5.135 -20.876 1.00 0.00 C ATOM 1298 O ARG A 82 -15.812 -4.021 -21.286 1.00 0.00 O ATOM 1299 CB ARG A 82 -14.248 -6.761 -20.696 1.00 0.00 C ATOM 1300 CG ARG A 82 -13.017 -7.155 -19.896 1.00 0.00 C ATOM 1301 CD ARG A 82 -12.051 -7.976 -20.733 1.00 0.00 C ATOM 1302 NE ARG A 82 -10.836 -8.313 -19.996 1.00 0.00 N ATOM 1303 CZ ARG A 82 -9.703 -8.707 -20.574 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -9.627 -8.817 -21.894 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -8.644 -8.993 -19.828 1.00 0.00 N ATOM 0 H ARG A 82 -15.854 -7.736 -19.091 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.690 -5.187 -19.303 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.752 -7.664 -21.039 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.933 -6.215 -21.585 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.515 -6.258 -19.533 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.319 -7.728 -19.019 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -12.543 -8.892 -21.059 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.787 -7.419 -21.632 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.857 -8.242 -18.979 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.439 -8.599 -22.472 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.756 -9.119 -22.331 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.698 -8.911 -18.813 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.776 -9.295 -20.270 1.00 0.00 H new ATOM 1319 N GLN A 83 -17.271 -5.731 -21.230 1.00 0.00 N ATOM 1320 CA GLN A 83 -18.214 -5.092 -22.141 1.00 0.00 C ATOM 1321 C GLN A 83 -18.987 -3.993 -21.422 1.00 0.00 C ATOM 1322 O GLN A 83 -19.236 -2.925 -21.981 1.00 0.00 O ATOM 1323 CB GLN A 83 -19.185 -6.125 -22.714 1.00 0.00 C ATOM 1324 CG GLN A 83 -18.645 -6.860 -23.931 1.00 0.00 C ATOM 1325 CD GLN A 83 -19.602 -7.918 -24.445 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -19.925 -7.955 -25.632 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -20.060 -8.784 -23.549 1.00 0.00 N ATOM 0 H GLN A 83 -17.558 -6.653 -20.901 1.00 0.00 H new ATOM 0 HA GLN A 83 -17.651 -4.646 -22.961 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -19.428 -6.852 -21.939 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -20.115 -5.626 -22.985 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.443 -6.141 -24.725 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.694 -7.328 -23.676 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -19.764 -8.715 -22.575 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.707 -9.519 -23.834 1.00 0.00 H new ATOM 1336 N LEU A 84 -19.358 -4.263 -20.176 1.00 0.00 N ATOM 1337 CA LEU A 84 -20.095 -3.299 -19.371 1.00 0.00 C ATOM 1338 C LEU A 84 -19.236 -2.074 -19.070 1.00 0.00 C ATOM 1339 O LEU A 84 -19.746 -0.964 -18.919 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.552 -3.946 -18.062 1.00 0.00 C ATOM 1341 CG LEU A 84 -21.395 -5.211 -18.229 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -21.180 -6.157 -17.056 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -22.868 -4.855 -18.367 1.00 0.00 C ATOM 0 H LEU A 84 -19.160 -5.144 -19.701 1.00 0.00 H new ATOM 0 HA LEU A 84 -20.969 -2.979 -19.938 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -19.672 -4.190 -17.467 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -21.128 -3.215 -17.494 1.00 0.00 H new ATOM 0 HG LEU A 84 -21.077 -5.718 -19.140 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.788 -7.051 -17.193 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.128 -6.438 -17.004 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.469 -5.660 -16.130 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -23.453 -5.767 -18.485 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -23.199 -4.324 -17.474 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -23.008 -4.218 -19.241 1.00 0.00 H new ATOM 1355 N ASN A 85 -17.925 -2.289 -18.985 1.00 0.00 N ATOM 1356 CA ASN A 85 -16.987 -1.211 -18.701 1.00 0.00 C ATOM 1357 C ASN A 85 -16.998 -0.172 -19.817 1.00 0.00 C ATOM 1358 O ASN A 85 -16.621 0.982 -19.607 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.573 -1.771 -18.520 1.00 0.00 C ATOM 1360 CG ASN A 85 -15.087 -1.662 -17.089 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -15.064 -0.576 -16.509 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -14.695 -2.792 -16.510 1.00 0.00 N ATOM 0 H ASN A 85 -17.490 -3.203 -19.109 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.298 -0.726 -17.776 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.557 -2.817 -18.827 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -14.886 -1.236 -19.176 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.358 -2.782 -15.547 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.731 -3.670 -17.028 1.00 0.00 H new ATOM 1369 N LYS A 86 -17.432 -0.586 -21.003 1.00 0.00 N ATOM 1370 CA LYS A 86 -17.489 0.314 -22.144 1.00 0.00 C ATOM 1371 C LYS A 86 -18.611 1.331 -21.970 1.00 0.00 C ATOM 1372 O LYS A 86 -18.488 2.482 -22.379 1.00 0.00 O ATOM 1373 CB LYS A 86 -17.692 -0.477 -23.439 1.00 0.00 C ATOM 1374 CG LYS A 86 -16.393 -0.913 -24.096 1.00 0.00 C ATOM 1375 CD LYS A 86 -15.982 0.041 -25.205 1.00 0.00 C ATOM 1376 CE LYS A 86 -14.547 -0.201 -25.644 1.00 0.00 C ATOM 1377 NZ LYS A 86 -13.567 0.409 -24.702 1.00 0.00 N ATOM 0 H LYS A 86 -17.748 -1.536 -21.197 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.541 0.849 -22.204 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.295 -1.359 -23.225 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.258 0.133 -24.143 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.604 -0.962 -23.346 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.509 -1.917 -24.503 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.650 -0.081 -26.058 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.090 1.069 -24.860 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.365 -1.273 -25.713 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.398 0.213 -26.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.600 0.221 -25.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.724 1.436 -24.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.692 -0.004 -23.756 1.00 0.00 H new