USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 832 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 104 SER OG : rot 180:sc= 1.72 USER MOD Set 1.2: A 107 SER OG : rot 70:sc= 1.2 USER MOD Set 2.1: A 49 TYR OH : rot -24:sc= 1.25 USER MOD Set 2.2: A 81 HIS : no HD1:sc= 1.08 K(o=2.3,f=-8.2!) USER MOD Set 2.3: A 83 HIS : no HD1:sc= 0 K(o=2.3,f=0.21) USER MOD Set 3.1: A 4 MET CE :methyl -177:sc= -0.464 (180deg=-0.478) USER MOD Set 3.2: A 5 GLN : amide:sc= 0.492 K(o=1.3,f=-3.4) USER MOD Set 3.3: A 35 THR OG1 : rot -102:sc= 1.25 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 17 ASN : amide:sc= -0.0267 K(o=-0.027,f=-1.7!) USER MOD Single : A 23 MET CE :methyl 172:sc= -0.927 (180deg=-1.23) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 41 MET CE :methyl 164:sc= -0.534 (180deg=-1.33) USER MOD Single : A 47 THR OG1 : rot -97:sc= 1.43 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0.932 K(o=0.93,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -150:sc= 0.461 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 169:sc= 1.3 USER MOD Single : A 70 GLN : amide:sc= -0.0797 X(o=-0.08,f=-0.08) USER MOD Single : A 72 MET CE :methyl -170:sc= -0.0159 (180deg=-0.173) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.395 K(o=-0.39,f=-3.1!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.0139 K(o=0.014,f=-7.3!) USER MOD Single : A 89 HIS : no HD1:sc= -0.254 K(o=-0.25,f=-0.99) USER MOD Single : A 91 CYS SG : rot -49:sc= -0.262 USER MOD Single : A 93 SER OG : rot 162:sc= 1.23 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.576 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc=-0.00396 K(o=-0.004,f=-1.2!) USER MOD Single : A 109 CYS SG : rot -32:sc= 0.79 USER MOD Single : A 111 SER OG : rot 80:sc= 1.17 USER MOD Single : A 114 SER OG : rot -39:sc= 1.26 USER MOD Single : A 115 MET CE :methyl -179:sc= -0.854 (180deg=-0.876) USER MOD Single : A 117 SER OG : rot -22:sc= 0.357 USER MOD Single : A 118 SER OG : rot 180:sc=-0.000852 USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 1.112 -5.653 -19.236 1.00 0.00 N ATOM 42 CA MET A 4 1.191 -5.327 -17.814 1.00 0.00 C ATOM 43 C MET A 4 1.000 -3.832 -17.603 1.00 0.00 C ATOM 44 O MET A 4 0.215 -3.409 -16.747 1.00 0.00 O ATOM 45 CB MET A 4 2.534 -5.801 -17.260 1.00 0.00 C ATOM 46 CG MET A 4 2.760 -5.537 -15.784 1.00 0.00 C ATOM 47 SD MET A 4 3.352 -3.874 -15.424 1.00 0.00 S ATOM 48 CE MET A 4 5.014 -3.906 -16.083 1.00 0.00 C ATOM 0 HA MET A 4 0.394 -5.839 -17.276 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.623 -6.873 -17.438 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.331 -5.317 -17.824 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.826 -5.704 -15.248 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.481 -6.260 -15.402 1.00 0.00 H new ATOM 0 HE1 MET A 4 5.506 -2.956 -15.876 1.00 0.00 H new ATOM 0 HE2 MET A 4 5.575 -4.715 -15.615 1.00 0.00 H new ATOM 0 HE3 MET A 4 4.975 -4.067 -17.160 1.00 0.00 H new ATOM 58 N GLN A 5 1.738 -3.055 -18.391 1.00 0.00 N ATOM 59 CA GLN A 5 1.659 -1.611 -18.348 1.00 0.00 C ATOM 60 C GLN A 5 0.292 -1.103 -18.770 1.00 0.00 C ATOM 61 O GLN A 5 -0.232 -0.204 -18.115 1.00 0.00 O ATOM 62 CB GLN A 5 2.726 -1.003 -19.260 1.00 0.00 C ATOM 63 CG GLN A 5 2.751 0.512 -19.243 1.00 0.00 C ATOM 64 CD GLN A 5 3.131 1.080 -17.894 1.00 0.00 C ATOM 65 OE1 GLN A 5 4.244 0.888 -17.395 1.00 0.00 O ATOM 66 NE2 GLN A 5 2.175 1.781 -17.301 1.00 0.00 N ATOM 0 H GLN A 5 2.405 -3.415 -19.074 1.00 0.00 H new ATOM 0 HA GLN A 5 1.828 -1.307 -17.315 1.00 0.00 H new ATOM 0 HB2 GLN A 5 3.705 -1.377 -18.959 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.555 -1.343 -20.281 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.458 0.867 -19.993 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.769 0.890 -19.527 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.274 1.907 -17.762 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.340 2.195 -16.384 1.00 0.00 H new ATOM 75 N LYS A 6 -0.294 -1.684 -19.819 1.00 0.00 N ATOM 76 CA LYS A 6 -1.606 -1.230 -20.262 1.00 0.00 C ATOM 77 C LYS A 6 -2.691 -1.542 -19.245 1.00 0.00 C ATOM 78 O LYS A 6 -3.631 -0.760 -19.109 1.00 0.00 O ATOM 79 CB LYS A 6 -1.973 -1.852 -21.602 1.00 0.00 C ATOM 80 CG LYS A 6 -1.163 -1.340 -22.782 1.00 0.00 C ATOM 81 CD LYS A 6 -1.581 -2.012 -24.082 1.00 0.00 C ATOM 82 CE LYS A 6 -0.759 -1.494 -25.253 1.00 0.00 C ATOM 83 NZ LYS A 6 -1.137 -2.148 -26.537 1.00 0.00 N ATOM 0 H LYS A 6 0.108 -2.448 -20.362 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.542 -0.147 -20.371 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.846 -2.932 -21.533 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.029 -1.667 -21.796 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.291 -0.261 -22.872 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.103 -1.521 -22.603 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.456 -3.091 -23.994 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.639 -1.828 -24.267 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.895 -0.416 -25.342 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.299 -1.667 -25.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.552 -1.765 -27.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.983 -3.174 -26.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.140 -1.962 -26.739 1.00 0.00 H new ATOM 97 N ARG A 7 -2.567 -2.670 -18.544 1.00 0.00 N ATOM 98 CA ARG A 7 -3.518 -3.035 -17.507 1.00 0.00 C ATOM 99 C ARG A 7 -3.471 -2.006 -16.386 1.00 0.00 C ATOM 100 O ARG A 7 -4.520 -1.607 -15.877 1.00 0.00 O ATOM 101 CB ARG A 7 -3.224 -4.434 -16.973 1.00 0.00 C ATOM 102 CG ARG A 7 -3.567 -5.571 -17.930 1.00 0.00 C ATOM 103 CD ARG A 7 -3.549 -6.906 -17.274 1.00 0.00 C ATOM 104 NE ARG A 7 -2.229 -7.354 -16.842 1.00 0.00 N ATOM 105 CZ ARG A 7 -1.375 -8.057 -17.617 1.00 0.00 C ATOM 106 NH1 ARG A 7 -1.718 -8.359 -18.849 1.00 0.00 N ATOM 107 NH2 ARG A 7 -0.195 -8.456 -17.166 1.00 0.00 N ATOM 0 H ARG A 7 -1.814 -3.344 -18.680 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.521 -3.047 -17.933 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.165 -4.496 -16.722 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.780 -4.578 -16.047 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.555 -5.395 -18.356 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.858 -5.569 -18.758 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.210 -6.879 -16.408 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.959 -7.642 -17.966 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.932 -7.121 -15.894 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.623 -8.063 -19.213 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.079 -8.890 -19.441 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.088 -8.233 -16.212 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.430 -8.986 -17.773 1.00 0.00 H new ATOM 121 N LEU A 8 -2.262 -1.583 -16.014 1.00 0.00 N ATOM 122 CA LEU A 8 -2.095 -0.543 -15.010 1.00 0.00 C ATOM 123 C LEU A 8 -2.599 0.812 -15.491 1.00 0.00 C ATOM 124 O LEU A 8 -3.107 1.582 -14.677 1.00 0.00 O ATOM 125 CB LEU A 8 -0.625 -0.487 -14.599 1.00 0.00 C ATOM 126 CG LEU A 8 -0.178 -1.696 -13.770 1.00 0.00 C ATOM 127 CD1 LEU A 8 1.317 -1.659 -13.585 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.855 -1.637 -12.406 1.00 0.00 C ATOM 0 H LEU A 8 -1.388 -1.947 -16.395 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.705 -0.792 -14.141 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.007 -0.422 -15.495 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.451 0.423 -14.024 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.455 -2.616 -14.285 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.632 -2.520 -12.995 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.805 -1.688 -14.559 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.597 -0.742 -13.067 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.544 -2.493 -11.808 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.569 -0.716 -11.898 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.937 -1.659 -12.536 1.00 0.00 H new ATOM 140 N GLN A 9 -2.459 1.111 -16.783 1.00 0.00 N ATOM 141 CA GLN A 9 -2.997 2.351 -17.328 1.00 0.00 C ATOM 142 C GLN A 9 -4.512 2.356 -17.224 1.00 0.00 C ATOM 143 O GLN A 9 -5.094 3.386 -16.885 1.00 0.00 O ATOM 144 CB GLN A 9 -2.573 2.535 -18.786 1.00 0.00 C ATOM 145 CG GLN A 9 -1.098 2.836 -18.963 1.00 0.00 C ATOM 146 CD GLN A 9 -0.666 2.867 -20.415 1.00 0.00 C ATOM 147 OE1 GLN A 9 -1.347 2.343 -21.300 1.00 0.00 O ATOM 148 NE2 GLN A 9 0.483 3.486 -20.665 1.00 0.00 N ATOM 0 H GLN A 9 -1.983 0.517 -17.462 1.00 0.00 H new ATOM 0 HA GLN A 9 -2.596 3.180 -16.745 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.819 1.631 -19.343 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.155 3.346 -19.224 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.872 3.798 -18.503 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.514 2.084 -18.433 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.013 3.905 -19.901 1.00 0.00 H new ATOM 0 HE22 GLN A 9 0.835 3.542 -21.621 1.00 0.00 H new ATOM 157 N LYS A 10 -5.139 1.214 -17.513 1.00 0.00 N ATOM 158 CA LYS A 10 -6.582 1.091 -17.391 1.00 0.00 C ATOM 159 C LYS A 10 -7.013 1.251 -15.942 1.00 0.00 C ATOM 160 O LYS A 10 -8.059 1.850 -15.683 1.00 0.00 O ATOM 161 CB LYS A 10 -7.055 -0.254 -17.935 1.00 0.00 C ATOM 162 CG LYS A 10 -6.962 -0.393 -19.447 1.00 0.00 C ATOM 163 CD LYS A 10 -7.442 -1.764 -19.899 1.00 0.00 C ATOM 164 CE LYS A 10 -7.362 -1.912 -21.410 1.00 0.00 C ATOM 165 NZ LYS A 10 -7.850 -3.244 -21.859 1.00 0.00 N ATOM 0 H LYS A 10 -4.667 0.368 -17.831 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.041 1.885 -17.980 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.465 -1.046 -17.473 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.090 -0.410 -17.632 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.562 0.382 -19.925 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.931 -0.241 -19.767 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.838 -2.537 -19.424 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.470 -1.917 -19.571 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.954 -1.129 -21.884 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.331 -1.774 -21.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.780 -3.308 -22.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.269 -3.990 -21.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.842 -3.366 -21.571 1.00 0.00 H new ATOM 179 N GLU A 11 -6.226 0.696 -15.015 1.00 0.00 N ATOM 180 CA GLU A 11 -6.497 0.855 -13.595 1.00 0.00 C ATOM 181 C GLU A 11 -6.454 2.335 -13.242 1.00 0.00 C ATOM 182 O GLU A 11 -7.353 2.803 -12.549 1.00 0.00 O ATOM 183 CB GLU A 11 -5.526 0.041 -12.737 1.00 0.00 C ATOM 184 CG GLU A 11 -5.848 0.122 -11.251 1.00 0.00 C ATOM 185 CD GLU A 11 -5.029 -0.791 -10.381 1.00 0.00 C ATOM 186 OE1 GLU A 11 -4.179 -1.484 -10.884 1.00 0.00 O ATOM 187 OE2 GLU A 11 -5.274 -0.811 -9.198 1.00 0.00 O ATOM 0 H GLU A 11 -5.401 0.136 -15.228 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.493 0.467 -13.380 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.553 -1.001 -13.054 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.510 0.399 -12.905 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.701 1.149 -10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.903 -0.112 -11.108 1.00 0.00 H new ATOM 194 N LEU A 12 -5.437 3.063 -13.713 1.00 0.00 N ATOM 195 CA LEU A 12 -5.359 4.497 -13.460 1.00 0.00 C ATOM 196 C LEU A 12 -6.546 5.245 -14.040 1.00 0.00 C ATOM 197 O LEU A 12 -7.000 6.197 -13.410 1.00 0.00 O ATOM 198 CB LEU A 12 -4.067 5.082 -14.037 1.00 0.00 C ATOM 199 CG LEU A 12 -2.790 4.677 -13.302 1.00 0.00 C ATOM 200 CD1 LEU A 12 -1.568 5.129 -14.085 1.00 0.00 C ATOM 201 CD2 LEU A 12 -2.779 5.321 -11.916 1.00 0.00 C ATOM 0 H LEU A 12 -4.667 2.685 -14.265 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.369 4.623 -12.377 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.981 4.776 -15.079 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.143 6.169 -14.030 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.763 3.592 -13.204 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.664 4.835 -13.551 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.575 4.664 -15.071 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.587 6.213 -14.195 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.869 5.034 -11.389 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.812 6.406 -12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.648 4.983 -11.351 1.00 0.00 H new ATOM 213 N LEU A 13 -7.046 4.846 -15.209 1.00 0.00 N ATOM 214 CA LEU A 13 -8.227 5.498 -15.763 1.00 0.00 C ATOM 215 C LEU A 13 -9.436 5.300 -14.851 1.00 0.00 C ATOM 216 O LEU A 13 -10.226 6.228 -14.666 1.00 0.00 O ATOM 217 CB LEU A 13 -8.529 4.934 -17.155 1.00 0.00 C ATOM 218 CG LEU A 13 -7.521 5.292 -18.252 1.00 0.00 C ATOM 219 CD1 LEU A 13 -7.848 4.502 -19.511 1.00 0.00 C ATOM 220 CD2 LEU A 13 -7.584 6.788 -18.512 1.00 0.00 C ATOM 0 H LEU A 13 -6.661 4.092 -15.778 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.025 6.566 -15.840 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.587 3.848 -17.082 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.513 5.286 -17.463 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.509 5.036 -17.939 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.133 4.754 -20.294 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.790 3.435 -19.296 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.855 4.751 -19.845 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.870 7.052 -19.292 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.589 7.059 -18.834 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.338 7.327 -17.597 1.00 0.00 H new ATOM 232 N ALA A 14 -9.576 4.095 -14.290 1.00 0.00 N ATOM 233 CA ALA A 14 -10.650 3.800 -13.348 1.00 0.00 C ATOM 234 C ALA A 14 -10.508 4.652 -12.091 1.00 0.00 C ATOM 235 O ALA A 14 -11.507 5.116 -11.545 1.00 0.00 O ATOM 236 CB ALA A 14 -10.649 2.323 -12.988 1.00 0.00 C ATOM 0 H ALA A 14 -8.954 3.308 -14.476 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.601 4.041 -13.824 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.456 2.119 -12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.795 1.729 -13.890 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.695 2.060 -12.531 1.00 0.00 H new ATOM 242 N LEU A 15 -9.268 4.832 -11.642 1.00 0.00 N ATOM 243 CA LEU A 15 -8.927 5.643 -10.484 1.00 0.00 C ATOM 244 C LEU A 15 -9.176 7.123 -10.730 1.00 0.00 C ATOM 245 O LEU A 15 -9.474 7.860 -9.793 1.00 0.00 O ATOM 246 CB LEU A 15 -7.470 5.368 -10.135 1.00 0.00 C ATOM 247 CG LEU A 15 -7.255 3.948 -9.609 1.00 0.00 C ATOM 248 CD1 LEU A 15 -5.766 3.666 -9.499 1.00 0.00 C ATOM 249 CD2 LEU A 15 -7.968 3.838 -8.274 1.00 0.00 C ATOM 0 H LEU A 15 -8.455 4.406 -12.087 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.569 5.373 -9.646 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.852 5.523 -11.019 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.137 6.085 -9.384 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.667 3.201 -10.287 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.614 2.654 -9.124 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.304 3.762 -10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.310 4.379 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.833 2.834 -7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.552 4.567 -7.578 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.031 4.034 -8.412 1.00 0.00 H new ATOM 261 N GLN A 16 -9.015 7.577 -11.971 1.00 0.00 N ATOM 262 CA GLN A 16 -9.363 8.946 -12.315 1.00 0.00 C ATOM 263 C GLN A 16 -10.875 9.105 -12.236 1.00 0.00 C ATOM 264 O GLN A 16 -11.372 10.132 -11.771 1.00 0.00 O ATOM 265 CB GLN A 16 -8.863 9.315 -13.714 1.00 0.00 C ATOM 266 CG GLN A 16 -7.355 9.445 -13.834 1.00 0.00 C ATOM 267 CD GLN A 16 -6.911 9.703 -15.259 1.00 0.00 C ATOM 268 OE1 GLN A 16 -7.675 9.512 -16.209 1.00 0.00 O ATOM 269 NE2 GLN A 16 -5.667 10.143 -15.418 1.00 0.00 N ATOM 0 H GLN A 16 -8.650 7.021 -12.744 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.880 9.620 -11.608 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.206 8.558 -14.419 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.320 10.259 -14.012 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.011 10.259 -13.196 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.884 8.532 -13.469 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.069 10.287 -14.604 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.310 10.337 -16.354 1.00 0.00 H new ATOM 278 N ASN A 17 -11.606 8.091 -12.701 1.00 0.00 N ATOM 279 CA ASN A 17 -13.059 8.108 -12.618 1.00 0.00 C ATOM 280 C ASN A 17 -13.562 8.004 -11.176 1.00 0.00 C ATOM 281 O ASN A 17 -14.617 8.553 -10.856 1.00 0.00 O ATOM 282 CB ASN A 17 -13.632 6.995 -13.471 1.00 0.00 C ATOM 283 CG ASN A 17 -13.512 7.298 -14.938 1.00 0.00 C ATOM 284 OD1 ASN A 17 -13.384 8.462 -15.337 1.00 0.00 O ATOM 285 ND2 ASN A 17 -13.550 6.274 -15.751 1.00 0.00 N ATOM 0 H ASN A 17 -11.215 7.255 -13.135 1.00 0.00 H new ATOM 0 HA ASN A 17 -13.403 9.070 -12.998 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -13.113 6.063 -13.249 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.681 6.844 -13.216 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.473 6.419 -16.758 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.657 5.331 -15.378 1.00 0.00 H new ATOM 292 N ASP A 18 -12.828 7.304 -10.312 1.00 0.00 N ATOM 293 CA ASP A 18 -13.206 7.213 -8.908 1.00 0.00 C ATOM 294 C ASP A 18 -11.999 7.022 -7.983 1.00 0.00 C ATOM 295 O ASP A 18 -11.643 5.883 -7.677 1.00 0.00 O ATOM 296 CB ASP A 18 -14.180 6.045 -8.727 1.00 0.00 C ATOM 297 CG ASP A 18 -14.759 5.923 -7.325 1.00 0.00 C ATOM 298 OD1 ASP A 18 -14.376 6.685 -6.470 1.00 0.00 O ATOM 299 OD2 ASP A 18 -15.581 5.060 -7.121 1.00 0.00 O ATOM 0 H ASP A 18 -11.978 6.798 -10.559 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.676 8.157 -8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.999 6.157 -9.437 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.666 5.117 -8.977 1.00 0.00 H new ATOM 304 N PRO A 19 -11.354 8.114 -7.546 1.00 0.00 N ATOM 305 CA PRO A 19 -10.232 8.118 -6.625 1.00 0.00 C ATOM 306 C PRO A 19 -10.567 7.499 -5.263 1.00 0.00 C ATOM 307 O PRO A 19 -11.669 7.711 -4.756 1.00 0.00 O ATOM 308 CB PRO A 19 -9.948 9.621 -6.506 1.00 0.00 C ATOM 309 CG PRO A 19 -10.495 10.223 -7.772 1.00 0.00 C ATOM 310 CD PRO A 19 -11.728 9.418 -8.109 1.00 0.00 C ATOM 0 HA PRO A 19 -9.390 7.519 -6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.432 10.045 -5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.880 9.814 -6.407 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.741 11.275 -7.630 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.762 10.173 -8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.628 9.826 -7.650 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -11.912 9.370 -9.182 1.00 0.00 H new ATOM 318 N PRO A 20 -9.648 6.764 -4.634 1.00 0.00 N ATOM 319 CA PRO A 20 -9.856 6.154 -3.341 1.00 0.00 C ATOM 320 C PRO A 20 -9.847 7.137 -2.158 1.00 0.00 C ATOM 321 O PRO A 20 -9.170 8.166 -2.228 1.00 0.00 O ATOM 322 CB PRO A 20 -8.673 5.194 -3.299 1.00 0.00 C ATOM 323 CG PRO A 20 -7.622 5.815 -4.179 1.00 0.00 C ATOM 324 CD PRO A 20 -8.359 6.526 -5.288 1.00 0.00 C ATOM 0 HA PRO A 20 -10.839 5.696 -3.237 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.307 5.066 -2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.956 4.206 -3.662 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.005 6.513 -3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -6.954 5.054 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.867 7.452 -5.587 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.454 5.912 -6.184 1.00 0.00 H new ATOM 332 N PRO A 21 -10.593 6.846 -1.081 1.00 0.00 N ATOM 333 CA PRO A 21 -10.681 7.662 0.116 1.00 0.00 C ATOM 334 C PRO A 21 -9.351 8.000 0.770 1.00 0.00 C ATOM 335 O PRO A 21 -8.653 7.115 1.267 1.00 0.00 O ATOM 336 CB PRO A 21 -11.508 6.745 1.027 1.00 0.00 C ATOM 337 CG PRO A 21 -12.320 5.904 0.085 1.00 0.00 C ATOM 338 CD PRO A 21 -11.420 5.631 -1.096 1.00 0.00 C ATOM 0 HA PRO A 21 -11.098 8.647 -0.093 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.866 6.128 1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.148 7.322 1.694 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.634 4.975 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.225 6.426 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.829 4.724 -0.967 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.977 5.519 -2.026 1.00 0.00 H new ATOM 346 N GLY A 22 -9.009 9.286 0.777 1.00 0.00 N ATOM 347 CA GLY A 22 -7.782 9.756 1.412 1.00 0.00 C ATOM 348 C GLY A 22 -6.544 9.349 0.623 1.00 0.00 C ATOM 349 O GLY A 22 -5.447 9.255 1.176 1.00 0.00 O ATOM 0 H GLY A 22 -9.568 10.024 0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.813 10.842 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.718 9.352 2.422 1.00 0.00 H new ATOM 353 N MET A 23 -6.688 9.068 -0.671 1.00 0.00 N ATOM 354 CA MET A 23 -5.497 8.625 -1.372 1.00 0.00 C ATOM 355 C MET A 23 -5.337 8.907 -2.857 1.00 0.00 C ATOM 356 O MET A 23 -6.281 8.822 -3.644 1.00 0.00 O ATOM 357 CB MET A 23 -5.393 7.137 -1.134 1.00 0.00 C ATOM 358 CG MET A 23 -4.208 6.472 -1.787 1.00 0.00 C ATOM 359 SD MET A 23 -4.090 4.800 -1.192 1.00 0.00 S ATOM 360 CE MET A 23 -5.539 4.051 -1.916 1.00 0.00 C ATOM 0 H MET A 23 -7.548 9.133 -1.216 1.00 0.00 H new ATOM 0 HA MET A 23 -4.697 9.237 -0.956 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.346 6.958 -0.060 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.304 6.661 -1.497 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.321 6.480 -2.871 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.294 7.020 -1.558 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.516 2.975 -1.745 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.434 4.472 -1.458 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.553 4.248 -2.988 1.00 0.00 H new ATOM 370 N THR A 24 -4.110 9.269 -3.229 1.00 0.00 N ATOM 371 CA THR A 24 -3.791 9.490 -4.629 1.00 0.00 C ATOM 372 C THR A 24 -2.859 8.397 -5.132 1.00 0.00 C ATOM 373 O THR A 24 -1.755 8.186 -4.624 1.00 0.00 O ATOM 374 CB THR A 24 -3.135 10.861 -4.880 1.00 0.00 C ATOM 375 OG1 THR A 24 -4.033 11.911 -4.492 1.00 0.00 O ATOM 376 CG2 THR A 24 -2.782 11.005 -6.354 1.00 0.00 C ATOM 0 H THR A 24 -3.332 9.413 -2.585 1.00 0.00 H new ATOM 0 HA THR A 24 -4.736 9.467 -5.172 1.00 0.00 H new ATOM 0 HB THR A 24 -2.224 10.932 -4.286 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.609 12.780 -4.653 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.319 11.977 -6.524 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.086 10.216 -6.640 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.688 10.925 -6.955 1.00 0.00 H new ATOM 384 N LEU A 25 -3.327 7.696 -6.154 1.00 0.00 N ATOM 385 CA LEU A 25 -2.544 6.650 -6.790 1.00 0.00 C ATOM 386 C LEU A 25 -2.052 7.265 -8.091 1.00 0.00 C ATOM 387 O LEU A 25 -2.829 7.937 -8.771 1.00 0.00 O ATOM 388 CB LEU A 25 -3.404 5.399 -7.012 1.00 0.00 C ATOM 389 CG LEU A 25 -4.013 4.800 -5.733 1.00 0.00 C ATOM 390 CD1 LEU A 25 -4.895 3.613 -6.040 1.00 0.00 C ATOM 391 CD2 LEU A 25 -2.901 4.349 -4.835 1.00 0.00 C ATOM 0 H LEU A 25 -4.252 7.835 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.704 6.316 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.212 5.648 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.794 4.638 -7.498 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.622 5.567 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.307 3.216 -5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.709 3.924 -6.695 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.306 2.840 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.320 3.922 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.303 3.596 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.271 5.201 -4.580 1.00 0.00 H new ATOM 403 N ASN A 26 -0.798 7.029 -8.461 1.00 0.00 N ATOM 404 CA ASN A 26 -0.280 7.677 -9.662 1.00 0.00 C ATOM 405 C ASN A 26 1.079 7.165 -10.110 1.00 0.00 C ATOM 406 O ASN A 26 2.035 7.132 -9.336 1.00 0.00 O ATOM 407 CB ASN A 26 -0.173 9.179 -9.442 1.00 0.00 C ATOM 408 CG ASN A 26 0.177 9.926 -10.697 1.00 0.00 C ATOM 409 OD1 ASN A 26 -0.187 9.513 -11.805 1.00 0.00 O ATOM 410 ND2 ASN A 26 0.879 11.020 -10.546 1.00 0.00 N ATOM 0 H ASN A 26 -0.143 6.420 -7.971 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.994 7.436 -10.450 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.120 9.553 -9.054 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.584 9.378 -8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.148 11.570 -11.362 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.157 11.323 -9.613 1.00 0.00 H new ATOM 542 N THR A 35 8.200 0.628 -14.566 1.00 0.00 N ATOM 543 CA THR A 35 6.833 0.812 -14.098 1.00 0.00 C ATOM 544 C THR A 35 6.778 0.899 -12.567 1.00 0.00 C ATOM 545 O THR A 35 6.787 -0.133 -11.894 1.00 0.00 O ATOM 546 CB THR A 35 5.947 -0.357 -14.560 1.00 0.00 C ATOM 547 OG1 THR A 35 5.944 -0.454 -15.991 1.00 0.00 O ATOM 548 CG2 THR A 35 4.521 -0.135 -14.099 1.00 0.00 C ATOM 0 HA THR A 35 6.465 1.747 -14.522 1.00 0.00 H new ATOM 0 HB THR A 35 6.349 -1.275 -14.130 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.114 -0.070 -16.343 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.898 -0.966 -14.429 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.496 -0.073 -13.011 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.142 0.794 -14.525 1.00 0.00 H new ATOM 556 N GLN A 36 6.733 2.115 -12.031 1.00 0.00 N ATOM 557 CA GLN A 36 6.600 2.329 -10.592 1.00 0.00 C ATOM 558 C GLN A 36 5.555 3.384 -10.261 1.00 0.00 C ATOM 559 O GLN A 36 5.482 4.396 -10.956 1.00 0.00 O ATOM 560 CB GLN A 36 7.932 2.782 -9.976 1.00 0.00 C ATOM 561 CG GLN A 36 9.081 1.793 -10.026 1.00 0.00 C ATOM 562 CD GLN A 36 10.346 2.353 -9.403 1.00 0.00 C ATOM 563 OE1 GLN A 36 10.696 3.516 -9.624 1.00 0.00 O ATOM 564 NE2 GLN A 36 11.040 1.540 -8.617 1.00 0.00 N ATOM 0 H GLN A 36 6.787 2.975 -12.577 1.00 0.00 H new ATOM 0 HA GLN A 36 6.291 1.371 -10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.247 3.695 -10.482 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.753 3.042 -8.933 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.795 0.879 -9.505 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.278 1.520 -11.063 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.718 0.585 -8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.896 1.870 -8.171 1.00 0.00 H new ATOM 573 N TRP A 37 4.765 3.153 -9.213 1.00 0.00 N ATOM 574 CA TRP A 37 3.765 4.123 -8.782 1.00 0.00 C ATOM 575 C TRP A 37 4.116 4.720 -7.431 1.00 0.00 C ATOM 576 O TRP A 37 4.670 4.056 -6.552 1.00 0.00 O ATOM 577 CB TRP A 37 2.350 3.534 -8.648 1.00 0.00 C ATOM 578 CG TRP A 37 1.645 3.077 -9.893 1.00 0.00 C ATOM 579 CD1 TRP A 37 2.157 2.903 -11.141 1.00 0.00 C ATOM 580 CD2 TRP A 37 0.243 2.736 -9.992 1.00 0.00 C ATOM 581 NE1 TRP A 37 1.187 2.485 -12.008 1.00 0.00 N ATOM 582 CE2 TRP A 37 0.005 2.365 -11.316 1.00 0.00 C ATOM 583 CE3 TRP A 37 -0.814 2.719 -9.073 1.00 0.00 C ATOM 584 CZ2 TRP A 37 -1.252 1.970 -11.740 1.00 0.00 C ATOM 585 CZ3 TRP A 37 -2.074 2.322 -9.503 1.00 0.00 C ATOM 586 CH2 TRP A 37 -2.286 1.953 -10.805 1.00 0.00 C ATOM 0 H TRP A 37 4.800 2.304 -8.649 1.00 0.00 H new ATOM 0 HA TRP A 37 3.768 4.878 -9.568 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.407 2.684 -7.968 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.722 4.285 -8.168 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.189 3.072 -11.410 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.318 2.294 -13.001 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.652 3.010 -8.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.427 1.683 -12.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.896 2.304 -8.803 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.273 1.643 -11.113 1.00 0.00 H new ATOM 597 N ILE A 38 3.785 5.997 -7.274 1.00 0.00 N ATOM 598 CA ILE A 38 3.980 6.684 -6.005 1.00 0.00 C ATOM 599 C ILE A 38 2.614 6.989 -5.417 1.00 0.00 C ATOM 600 O ILE A 38 1.750 7.579 -6.067 1.00 0.00 O ATOM 601 CB ILE A 38 4.840 7.950 -6.123 1.00 0.00 C ATOM 602 CG1 ILE A 38 6.210 7.580 -6.690 1.00 0.00 C ATOM 603 CG2 ILE A 38 4.984 8.603 -4.754 1.00 0.00 C ATOM 604 CD1 ILE A 38 6.987 6.620 -5.813 1.00 0.00 C ATOM 0 H ILE A 38 3.381 6.576 -8.010 1.00 0.00 H new ATOM 0 HA ILE A 38 4.541 6.028 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 38 4.360 8.661 -6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.078 7.134 -7.676 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.795 8.489 -6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.595 9.501 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.998 8.870 -4.373 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.462 7.905 -4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.949 6.401 -6.276 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.150 7.072 -4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.422 5.695 -5.696 1.00 0.00 H new ATOM 616 N VAL A 39 2.436 6.572 -4.172 1.00 0.00 N ATOM 617 CA VAL A 39 1.163 6.721 -3.497 1.00 0.00 C ATOM 618 C VAL A 39 1.159 7.679 -2.328 1.00 0.00 C ATOM 619 O VAL A 39 1.986 7.583 -1.423 1.00 0.00 O ATOM 620 CB VAL A 39 0.691 5.344 -3.027 1.00 0.00 C ATOM 621 CG1 VAL A 39 -0.608 5.481 -2.252 1.00 0.00 C ATOM 622 CG2 VAL A 39 0.546 4.470 -4.263 1.00 0.00 C ATOM 0 H VAL A 39 3.162 6.127 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 39 0.487 7.161 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 39 1.406 4.881 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.939 4.497 -1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.448 6.122 -1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.370 5.923 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.210 3.476 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.184 4.914 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.508 4.392 -4.769 1.00 0.00 H new ATOM 632 N ASP A 40 0.214 8.616 -2.376 1.00 0.00 N ATOM 633 CA ASP A 40 0.048 9.610 -1.328 1.00 0.00 C ATOM 634 C ASP A 40 -1.126 9.245 -0.428 1.00 0.00 C ATOM 635 O ASP A 40 -2.267 9.181 -0.885 1.00 0.00 O ATOM 636 CB ASP A 40 -0.154 11.000 -1.925 1.00 0.00 C ATOM 637 CG ASP A 40 1.098 11.538 -2.611 1.00 0.00 C ATOM 638 OD1 ASP A 40 2.160 11.016 -2.372 1.00 0.00 O ATOM 639 OD2 ASP A 40 0.989 12.493 -3.344 1.00 0.00 O ATOM 0 H ASP A 40 -0.454 8.704 -3.142 1.00 0.00 H new ATOM 0 HA ASP A 40 0.957 9.624 -0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.971 10.965 -2.646 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.454 11.689 -1.136 1.00 0.00 H new ATOM 644 N MET A 41 -0.872 9.022 0.859 1.00 0.00 N ATOM 645 CA MET A 41 -1.985 8.656 1.737 1.00 0.00 C ATOM 646 C MET A 41 -2.208 9.698 2.821 1.00 0.00 C ATOM 647 O MET A 41 -1.263 10.307 3.320 1.00 0.00 O ATOM 648 CB MET A 41 -1.734 7.306 2.407 1.00 0.00 C ATOM 649 CG MET A 41 -1.574 6.117 1.479 1.00 0.00 C ATOM 650 SD MET A 41 -1.192 4.604 2.383 1.00 0.00 S ATOM 651 CE MET A 41 -1.199 3.415 1.049 1.00 0.00 C ATOM 0 H MET A 41 0.045 9.083 1.303 1.00 0.00 H new ATOM 0 HA MET A 41 -2.873 8.597 1.107 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.834 7.388 3.017 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.562 7.102 3.086 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.492 5.977 0.908 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.780 6.321 0.761 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.710 2.497 1.377 1.00 0.00 H new ATOM 0 HE2 MET A 41 -2.228 3.196 0.762 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.663 3.825 0.193 1.00 0.00 H new ATOM 661 N GLU A 42 -3.471 9.912 3.178 1.00 0.00 N ATOM 662 CA GLU A 42 -3.836 10.830 4.249 1.00 0.00 C ATOM 663 C GLU A 42 -4.175 10.101 5.544 1.00 0.00 C ATOM 664 O GLU A 42 -5.061 9.245 5.564 1.00 0.00 O ATOM 665 CB GLU A 42 -5.031 11.685 3.830 1.00 0.00 C ATOM 666 CG GLU A 42 -5.474 12.699 4.875 1.00 0.00 C ATOM 667 CD GLU A 42 -6.651 13.516 4.419 1.00 0.00 C ATOM 668 OE1 GLU A 42 -7.113 13.293 3.326 1.00 0.00 O ATOM 669 OE2 GLU A 42 -7.087 14.366 5.159 1.00 0.00 O ATOM 0 H GLU A 42 -4.267 9.455 2.734 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.967 11.462 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.779 12.214 2.911 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.870 11.028 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.733 12.177 5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.642 13.364 5.108 1.00 0.00 H new ATOM 676 N GLY A 43 -3.460 10.434 6.615 1.00 0.00 N ATOM 677 CA GLY A 43 -3.699 9.870 7.935 1.00 0.00 C ATOM 678 C GLY A 43 -5.130 10.106 8.397 1.00 0.00 C ATOM 679 O GLY A 43 -5.563 11.247 8.581 1.00 0.00 O ATOM 0 H GLY A 43 -2.694 11.107 6.589 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.495 8.800 7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.007 10.314 8.651 1.00 0.00 H new ATOM 683 N ALA A 44 -5.838 8.997 8.603 1.00 0.00 N ATOM 684 CA ALA A 44 -7.241 8.970 8.998 1.00 0.00 C ATOM 685 C ALA A 44 -7.519 9.751 10.292 1.00 0.00 C ATOM 686 O ALA A 44 -6.776 9.616 11.272 1.00 0.00 O ATOM 687 CB ALA A 44 -7.692 7.528 9.181 1.00 0.00 C ATOM 0 H ALA A 44 -5.437 8.065 8.496 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.801 9.456 8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.741 7.510 9.476 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.570 6.987 8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.089 7.054 9.955 1.00 0.00 H new ATOM 693 N PRO A 45 -8.605 10.533 10.324 1.00 0.00 N ATOM 694 CA PRO A 45 -8.960 11.360 11.444 1.00 0.00 C ATOM 695 C PRO A 45 -9.390 10.555 12.641 1.00 0.00 C ATOM 696 O PRO A 45 -10.104 9.558 12.524 1.00 0.00 O ATOM 697 CB PRO A 45 -10.111 12.186 10.860 1.00 0.00 C ATOM 698 CG PRO A 45 -10.681 11.334 9.758 1.00 0.00 C ATOM 699 CD PRO A 45 -9.515 10.571 9.173 1.00 0.00 C ATOM 0 HA PRO A 45 -8.133 11.958 11.827 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.863 12.406 11.618 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.756 13.142 10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.438 10.652 10.145 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.164 11.950 8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.800 9.573 8.839 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.076 11.081 8.316 1.00 0.00 H new ATOM 707 N GLY A 46 -8.949 11.016 13.804 1.00 0.00 N ATOM 708 CA GLY A 46 -9.232 10.338 15.052 1.00 0.00 C ATOM 709 C GLY A 46 -8.151 9.313 15.388 1.00 0.00 C ATOM 710 O GLY A 46 -8.193 8.721 16.468 1.00 0.00 O ATOM 0 H GLY A 46 -8.390 11.863 13.904 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.304 11.070 15.857 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.199 9.840 14.986 1.00 0.00 H new ATOM 714 N THR A 47 -7.187 9.087 14.488 1.00 0.00 N ATOM 715 CA THR A 47 -6.143 8.118 14.775 1.00 0.00 C ATOM 716 C THR A 47 -4.868 8.831 15.153 1.00 0.00 C ATOM 717 O THR A 47 -4.747 10.052 15.045 1.00 0.00 O ATOM 718 CB THR A 47 -5.787 7.227 13.575 1.00 0.00 C ATOM 719 OG1 THR A 47 -5.111 8.022 12.590 1.00 0.00 O ATOM 720 CG2 THR A 47 -7.053 6.647 12.970 1.00 0.00 C ATOM 0 H THR A 47 -7.114 9.551 13.582 1.00 0.00 H new ATOM 0 HA THR A 47 -6.539 7.499 15.580 1.00 0.00 H new ATOM 0 HB THR A 47 -5.143 6.412 13.904 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.753 8.316 11.910 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.794 6.016 12.120 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.574 6.050 13.719 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.701 7.457 12.637 1.00 0.00 H new ATOM 728 N LEU A 48 -3.880 8.030 15.529 1.00 0.00 N ATOM 729 CA LEU A 48 -2.563 8.505 15.917 1.00 0.00 C ATOM 730 C LEU A 48 -1.799 9.138 14.759 1.00 0.00 C ATOM 731 O LEU A 48 -0.796 9.817 14.985 1.00 0.00 O ATOM 732 CB LEU A 48 -1.737 7.333 16.458 1.00 0.00 C ATOM 733 CG LEU A 48 -2.234 6.713 17.766 1.00 0.00 C ATOM 734 CD1 LEU A 48 -1.393 5.484 18.082 1.00 0.00 C ATOM 735 CD2 LEU A 48 -2.138 7.749 18.876 1.00 0.00 C ATOM 0 H LEU A 48 -3.975 7.015 15.573 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.714 9.270 16.679 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.707 6.553 15.697 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.712 7.674 16.606 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.275 6.404 17.675 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.740 5.035 19.013 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.488 4.760 17.273 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.348 5.775 18.187 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.491 7.314 19.811 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.101 8.064 18.991 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.754 8.612 18.622 1.00 0.00 H new ATOM 747 N TYR A 49 -2.256 8.916 13.525 1.00 0.00 N ATOM 748 CA TYR A 49 -1.582 9.446 12.365 1.00 0.00 C ATOM 749 C TYR A 49 -2.380 10.543 11.676 1.00 0.00 C ATOM 750 O TYR A 49 -2.000 10.929 10.571 1.00 0.00 O ATOM 751 CB TYR A 49 -1.336 8.286 11.411 1.00 0.00 C ATOM 752 CG TYR A 49 -0.466 7.236 12.064 1.00 0.00 C ATOM 753 CD1 TYR A 49 0.915 7.325 12.028 1.00 0.00 C ATOM 754 CD2 TYR A 49 -1.068 6.173 12.717 1.00 0.00 C ATOM 755 CE1 TYR A 49 1.690 6.365 12.644 1.00 0.00 C ATOM 756 CE2 TYR A 49 -0.295 5.213 13.339 1.00 0.00 C ATOM 757 CZ TYR A 49 1.090 5.312 13.303 1.00 0.00 C ATOM 758 OH TYR A 49 1.858 4.355 13.927 1.00 0.00 O ATOM 0 H TYR A 49 -3.092 8.371 13.316 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.645 9.907 12.676 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.287 7.844 11.114 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.856 8.650 10.503 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.387 8.150 11.515 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.145 6.095 12.740 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.767 6.438 12.611 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.766 4.387 13.852 1.00 0.00 H new ATOM 0 HH TYR A 49 2.747 4.329 13.515 1.00 0.00 H new ATOM 768 N GLU A 50 -3.440 11.053 12.317 1.00 0.00 N ATOM 769 CA GLU A 50 -4.285 12.062 11.683 1.00 0.00 C ATOM 770 C GLU A 50 -3.583 13.259 11.068 1.00 0.00 C ATOM 771 O GLU A 50 -2.865 14.005 11.738 1.00 0.00 O ATOM 772 CB GLU A 50 -5.296 12.601 12.694 1.00 0.00 C ATOM 773 CG GLU A 50 -6.173 13.712 12.128 1.00 0.00 C ATOM 774 CD GLU A 50 -7.254 14.172 13.067 1.00 0.00 C ATOM 775 OE1 GLU A 50 -7.497 13.504 14.045 1.00 0.00 O ATOM 776 OE2 GLU A 50 -7.847 15.192 12.804 1.00 0.00 O ATOM 0 H GLU A 50 -3.726 10.786 13.259 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.741 11.521 10.854 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.931 11.783 13.035 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.763 12.976 13.567 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.543 14.563 11.870 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.633 13.363 11.203 1.00 0.00 H new ATOM 783 N GLY A 51 -3.837 13.439 9.771 1.00 0.00 N ATOM 784 CA GLY A 51 -3.299 14.547 8.994 1.00 0.00 C ATOM 785 C GLY A 51 -1.936 14.271 8.361 1.00 0.00 C ATOM 786 O GLY A 51 -1.444 15.091 7.585 1.00 0.00 O ATOM 0 H GLY A 51 -4.429 12.810 9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.008 14.800 8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.216 15.421 9.640 1.00 0.00 H new ATOM 790 N GLU A 52 -1.319 13.137 8.682 1.00 0.00 N ATOM 791 CA GLU A 52 -0.003 12.817 8.147 1.00 0.00 C ATOM 792 C GLU A 52 -0.013 12.375 6.695 1.00 0.00 C ATOM 793 O GLU A 52 -0.870 11.612 6.255 1.00 0.00 O ATOM 794 CB GLU A 52 0.651 11.738 9.010 1.00 0.00 C ATOM 795 CG GLU A 52 2.065 11.358 8.603 1.00 0.00 C ATOM 796 CD GLU A 52 2.685 10.424 9.598 1.00 0.00 C ATOM 797 OE1 GLU A 52 2.083 10.231 10.624 1.00 0.00 O ATOM 798 OE2 GLU A 52 3.748 9.906 9.350 1.00 0.00 O ATOM 0 H GLU A 52 -1.708 12.430 9.306 1.00 0.00 H new ATOM 0 HA GLU A 52 0.572 13.743 8.176 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.667 12.082 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.028 10.844 8.981 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.049 10.887 7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.675 12.257 8.516 1.00 0.00 H new ATOM 805 N LYS A 53 0.920 12.919 5.923 1.00 0.00 N ATOM 806 CA LYS A 53 1.049 12.523 4.530 1.00 0.00 C ATOM 807 C LYS A 53 2.053 11.391 4.408 1.00 0.00 C ATOM 808 O LYS A 53 3.189 11.514 4.867 1.00 0.00 O ATOM 809 CB LYS A 53 1.481 13.678 3.633 1.00 0.00 C ATOM 810 CG LYS A 53 1.527 13.260 2.170 1.00 0.00 C ATOM 811 CD LYS A 53 1.903 14.396 1.236 1.00 0.00 C ATOM 812 CE LYS A 53 1.923 13.878 -0.192 1.00 0.00 C ATOM 813 NZ LYS A 53 2.281 14.918 -1.191 1.00 0.00 N ATOM 0 H LYS A 53 1.588 13.625 6.233 1.00 0.00 H new ATOM 0 HA LYS A 53 0.064 12.196 4.197 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.789 14.512 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.464 14.033 3.942 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.246 12.449 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.553 12.867 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.187 15.213 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.881 14.796 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.635 13.056 -0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.942 13.471 -0.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.277 14.501 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.588 15.693 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.229 15.290 -0.980 1.00 0.00 H new ATOM 827 N PHE A 54 1.639 10.294 3.790 1.00 0.00 N ATOM 828 CA PHE A 54 2.544 9.169 3.624 1.00 0.00 C ATOM 829 C PHE A 54 2.920 9.021 2.164 1.00 0.00 C ATOM 830 O PHE A 54 2.110 9.316 1.288 1.00 0.00 O ATOM 831 CB PHE A 54 1.833 7.893 4.021 1.00 0.00 C ATOM 832 CG PHE A 54 1.404 7.849 5.455 1.00 0.00 C ATOM 833 CD1 PHE A 54 2.258 7.371 6.429 1.00 0.00 C ATOM 834 CD2 PHE A 54 0.143 8.289 5.831 1.00 0.00 C ATOM 835 CE1 PHE A 54 1.863 7.324 7.748 1.00 0.00 C ATOM 836 CE2 PHE A 54 -0.255 8.247 7.152 1.00 0.00 C ATOM 837 CZ PHE A 54 0.609 7.760 8.106 1.00 0.00 C ATOM 0 H PHE A 54 0.704 10.161 3.404 1.00 0.00 H new ATOM 0 HA PHE A 54 3.427 9.343 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.955 7.767 3.387 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.492 7.047 3.825 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.245 7.031 6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.535 8.669 5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.538 6.945 8.501 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.238 8.594 7.435 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.301 7.720 9.140 1.00 0.00 H new ATOM 847 N GLN A 55 4.128 8.529 1.906 1.00 0.00 N ATOM 848 CA GLN A 55 4.599 8.310 0.541 1.00 0.00 C ATOM 849 C GLN A 55 5.067 6.872 0.368 1.00 0.00 C ATOM 850 O GLN A 55 5.940 6.420 1.108 1.00 0.00 O ATOM 851 CB GLN A 55 5.731 9.282 0.206 1.00 0.00 C ATOM 852 CG GLN A 55 6.287 9.153 -1.200 1.00 0.00 C ATOM 853 CD GLN A 55 7.317 10.226 -1.504 1.00 0.00 C ATOM 854 OE1 GLN A 55 7.031 11.207 -2.197 1.00 0.00 O ATOM 855 NE2 GLN A 55 8.522 10.059 -0.975 1.00 0.00 N ATOM 0 H GLN A 55 4.802 8.273 2.628 1.00 0.00 H new ATOM 0 HA GLN A 55 3.772 8.492 -0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.369 10.301 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.543 9.131 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.741 8.170 -1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.471 9.219 -1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.720 9.235 -0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.250 10.755 -1.136 1.00 0.00 H new ATOM 864 N LEU A 56 4.450 6.165 -0.583 1.00 0.00 N ATOM 865 CA LEU A 56 4.783 4.767 -0.842 1.00 0.00 C ATOM 866 C LEU A 56 5.170 4.426 -2.274 1.00 0.00 C ATOM 867 O LEU A 56 4.724 5.046 -3.236 1.00 0.00 O ATOM 868 CB LEU A 56 3.598 3.871 -0.483 1.00 0.00 C ATOM 869 CG LEU A 56 3.195 3.802 0.984 1.00 0.00 C ATOM 870 CD1 LEU A 56 2.200 4.918 1.284 1.00 0.00 C ATOM 871 CD2 LEU A 56 2.607 2.431 1.265 1.00 0.00 C ATOM 0 H LEU A 56 3.717 6.541 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 56 5.662 4.594 -0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.734 4.209 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.826 2.859 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 56 4.060 3.943 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.908 4.873 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.662 5.883 1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.317 4.797 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.314 2.369 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.732 2.274 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.352 1.665 1.050 1.00 0.00 H new ATOM 883 N LEU A 57 5.999 3.396 -2.392 1.00 0.00 N ATOM 884 CA LEU A 57 6.500 2.861 -3.649 1.00 0.00 C ATOM 885 C LEU A 57 5.891 1.517 -4.020 1.00 0.00 C ATOM 886 O LEU A 57 5.864 0.573 -3.227 1.00 0.00 O ATOM 887 CB LEU A 57 8.015 2.661 -3.611 1.00 0.00 C ATOM 888 CG LEU A 57 8.596 2.020 -4.879 1.00 0.00 C ATOM 889 CD1 LEU A 57 8.408 2.977 -6.049 1.00 0.00 C ATOM 890 CD2 LEU A 57 10.064 1.697 -4.655 1.00 0.00 C ATOM 0 H LEU A 57 6.354 2.891 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 57 6.216 3.606 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.494 3.627 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.267 2.037 -2.754 1.00 0.00 H new ATOM 0 HG LEU A 57 8.078 1.089 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.818 2.530 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.345 3.174 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.926 3.913 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.478 1.242 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.608 2.614 -4.429 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.161 1.003 -3.820 1.00 0.00 H new ATOM 902 N PHE A 58 5.348 1.470 -5.231 1.00 0.00 N ATOM 903 CA PHE A 58 4.796 0.278 -5.853 1.00 0.00 C ATOM 904 C PHE A 58 5.579 -0.056 -7.120 1.00 0.00 C ATOM 905 O PHE A 58 5.408 0.580 -8.156 1.00 0.00 O ATOM 906 CB PHE A 58 3.294 0.454 -6.066 1.00 0.00 C ATOM 907 CG PHE A 58 2.551 0.468 -4.763 1.00 0.00 C ATOM 908 CD1 PHE A 58 2.534 1.571 -3.924 1.00 0.00 C ATOM 909 CD2 PHE A 58 1.847 -0.661 -4.382 1.00 0.00 C ATOM 910 CE1 PHE A 58 1.854 1.527 -2.723 1.00 0.00 C ATOM 911 CE2 PHE A 58 1.158 -0.702 -3.188 1.00 0.00 C ATOM 912 CZ PHE A 58 1.172 0.392 -2.352 1.00 0.00 C ATOM 0 H PHE A 58 5.279 2.295 -5.827 1.00 0.00 H new ATOM 0 HA PHE A 58 4.906 -0.587 -5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.108 1.385 -6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.917 -0.355 -6.692 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.056 2.471 -4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.837 -1.524 -5.031 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.858 2.388 -2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.609 -1.589 -2.910 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.649 0.359 -1.408 1.00 0.00 H new ATOM 922 N LYS A 59 6.483 -1.029 -7.034 1.00 0.00 N ATOM 923 CA LYS A 59 7.292 -1.403 -8.195 1.00 0.00 C ATOM 924 C LYS A 59 6.680 -2.616 -8.868 1.00 0.00 C ATOM 925 O LYS A 59 6.588 -3.694 -8.283 1.00 0.00 O ATOM 926 CB LYS A 59 8.733 -1.700 -7.800 1.00 0.00 C ATOM 927 CG LYS A 59 9.686 -2.025 -8.943 1.00 0.00 C ATOM 928 CD LYS A 59 11.078 -2.306 -8.387 1.00 0.00 C ATOM 929 CE LYS A 59 12.081 -2.670 -9.473 1.00 0.00 C ATOM 930 NZ LYS A 59 13.418 -2.995 -8.896 1.00 0.00 N ATOM 0 H LYS A 59 6.673 -1.566 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 59 7.304 -0.561 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.126 -0.838 -7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.732 -2.539 -7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.323 -2.891 -9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.725 -1.192 -9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.434 -1.428 -7.849 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.019 -3.120 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.711 -3.524 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.178 -1.840 -10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.077 -3.238 -9.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.781 -2.171 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.329 -3.803 -8.247 1.00 0.00 H new ATOM 944 N PHE A 60 6.295 -2.476 -10.127 1.00 0.00 N ATOM 945 CA PHE A 60 5.612 -3.592 -10.759 1.00 0.00 C ATOM 946 C PHE A 60 6.539 -4.404 -11.643 1.00 0.00 C ATOM 947 O PHE A 60 7.375 -3.859 -12.365 1.00 0.00 O ATOM 948 CB PHE A 60 4.490 -3.012 -11.601 1.00 0.00 C ATOM 949 CG PHE A 60 3.490 -2.316 -10.731 1.00 0.00 C ATOM 950 CD1 PHE A 60 3.655 -0.976 -10.435 1.00 0.00 C ATOM 951 CD2 PHE A 60 2.403 -2.975 -10.200 1.00 0.00 C ATOM 952 CE1 PHE A 60 2.753 -0.321 -9.631 1.00 0.00 C ATOM 953 CE2 PHE A 60 1.496 -2.322 -9.394 1.00 0.00 C ATOM 954 CZ PHE A 60 1.672 -0.986 -9.109 1.00 0.00 C ATOM 0 H PHE A 60 6.434 -1.647 -10.706 1.00 0.00 H new ATOM 0 HA PHE A 60 5.237 -4.266 -9.989 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.898 -2.311 -12.329 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.001 -3.807 -12.164 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.500 -0.439 -10.839 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.259 -4.023 -10.419 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.896 0.726 -9.408 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.650 -2.856 -8.987 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.965 -0.466 -8.480 1.00 0.00 H new ATOM 964 N SER A 61 6.380 -5.721 -11.564 1.00 0.00 N ATOM 965 CA SER A 61 7.168 -6.645 -12.365 1.00 0.00 C ATOM 966 C SER A 61 6.509 -6.820 -13.711 1.00 0.00 C ATOM 967 O SER A 61 5.349 -6.457 -13.876 1.00 0.00 O ATOM 968 CB SER A 61 7.286 -7.992 -11.677 1.00 0.00 C ATOM 969 OG SER A 61 6.051 -8.657 -11.619 1.00 0.00 O ATOM 0 H SER A 61 5.706 -6.173 -10.947 1.00 0.00 H new ATOM 0 HA SER A 61 8.170 -6.235 -12.490 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.007 -8.611 -12.211 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.671 -7.852 -10.667 1.00 0.00 H new ATOM 0 HG SER A 61 6.023 -9.227 -10.822 1.00 0.00 H new ATOM 975 N SER A 62 7.233 -7.388 -14.671 1.00 0.00 N ATOM 976 CA SER A 62 6.653 -7.649 -15.984 1.00 0.00 C ATOM 977 C SER A 62 5.644 -8.792 -15.918 1.00 0.00 C ATOM 978 O SER A 62 4.763 -8.905 -16.772 1.00 0.00 O ATOM 979 CB SER A 62 7.742 -7.989 -16.979 1.00 0.00 C ATOM 980 OG SER A 62 8.340 -9.217 -16.664 1.00 0.00 O ATOM 0 H SER A 62 8.207 -7.672 -14.568 1.00 0.00 H new ATOM 0 HA SER A 62 6.135 -6.746 -16.309 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.322 -8.031 -17.984 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.496 -7.202 -16.982 1.00 0.00 H new ATOM 0 HG SER A 62 9.039 -9.418 -17.320 1.00 0.00 H new ATOM 986 N ARG A 63 5.793 -9.645 -14.904 1.00 0.00 N ATOM 987 CA ARG A 63 4.892 -10.754 -14.659 1.00 0.00 C ATOM 988 C ARG A 63 3.569 -10.295 -14.061 1.00 0.00 C ATOM 989 O ARG A 63 2.544 -10.919 -14.339 1.00 0.00 O ATOM 990 CB ARG A 63 5.547 -11.754 -13.723 1.00 0.00 C ATOM 991 CG ARG A 63 6.702 -12.547 -14.306 1.00 0.00 C ATOM 992 CD ARG A 63 7.267 -13.421 -13.254 1.00 0.00 C ATOM 993 NE ARG A 63 8.356 -14.268 -13.699 1.00 0.00 N ATOM 994 CZ ARG A 63 9.048 -15.072 -12.868 1.00 0.00 C ATOM 995 NH1 ARG A 63 8.750 -15.108 -11.585 1.00 0.00 N ATOM 996 NH2 ARG A 63 10.027 -15.824 -13.341 1.00 0.00 N ATOM 0 H ARG A 63 6.553 -9.578 -14.227 1.00 0.00 H new ATOM 0 HA ARG A 63 4.681 -11.221 -15.621 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.906 -11.219 -12.844 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.786 -12.455 -13.381 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.359 -13.147 -15.149 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.469 -11.872 -14.686 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.620 -12.798 -12.432 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.472 -14.052 -12.857 1.00 0.00 H new ATOM 0 HE ARG A 63 8.610 -14.255 -14.687 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.995 -14.527 -11.220 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.274 -15.717 -10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.258 -15.795 -14.334 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.551 -16.433 -12.713 1.00 0.00 H new ATOM 1010 N TYR A 64 3.617 -9.274 -13.196 1.00 0.00 N ATOM 1011 CA TYR A 64 2.452 -8.610 -12.604 1.00 0.00 C ATOM 1012 C TYR A 64 1.198 -8.667 -13.496 1.00 0.00 C ATOM 1013 O TYR A 64 1.231 -8.207 -14.641 1.00 0.00 O ATOM 1014 CB TYR A 64 2.761 -7.150 -12.286 1.00 0.00 C ATOM 1015 CG TYR A 64 1.597 -6.493 -11.597 1.00 0.00 C ATOM 1016 CD1 TYR A 64 1.449 -6.637 -10.226 1.00 0.00 C ATOM 1017 CD2 TYR A 64 0.665 -5.779 -12.333 1.00 0.00 C ATOM 1018 CE1 TYR A 64 0.368 -6.057 -9.595 1.00 0.00 C ATOM 1019 CE2 TYR A 64 -0.415 -5.209 -11.697 1.00 0.00 C ATOM 1020 CZ TYR A 64 -0.566 -5.344 -10.334 1.00 0.00 C ATOM 1021 OH TYR A 64 -1.642 -4.773 -9.696 1.00 0.00 O ATOM 0 H TYR A 64 4.500 -8.874 -12.879 1.00 0.00 H new ATOM 0 HA TYR A 64 2.236 -9.161 -11.689 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.645 -7.091 -11.651 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.993 -6.614 -13.206 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.174 -7.199 -9.656 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.785 -5.670 -13.401 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.248 -6.158 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.145 -4.655 -12.268 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.202 -4.308 -10.352 1.00 0.00 H new ATOM 1031 N PRO A 65 0.064 -9.144 -12.979 1.00 0.00 N ATOM 1032 CA PRO A 65 -0.217 -9.586 -11.634 1.00 0.00 C ATOM 1033 C PRO A 65 0.016 -11.050 -11.324 1.00 0.00 C ATOM 1034 O PRO A 65 -0.645 -11.590 -10.443 1.00 0.00 O ATOM 1035 CB PRO A 65 -1.700 -9.217 -11.550 1.00 0.00 C ATOM 1036 CG PRO A 65 -2.219 -9.454 -12.934 1.00 0.00 C ATOM 1037 CD PRO A 65 -1.099 -9.019 -13.855 1.00 0.00 C ATOM 0 HA PRO A 65 0.455 -9.132 -10.906 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.222 -9.833 -10.818 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.835 -8.179 -11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.470 -10.504 -13.087 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.127 -8.879 -13.118 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.020 -9.657 -14.735 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.235 -7.998 -14.213 1.00 0.00 H new ATOM 1045 N PHE A 66 0.889 -11.721 -12.060 1.00 0.00 N ATOM 1046 CA PHE A 66 1.244 -13.082 -11.694 1.00 0.00 C ATOM 1047 C PHE A 66 1.982 -13.013 -10.352 1.00 0.00 C ATOM 1048 O PHE A 66 1.637 -13.716 -9.400 1.00 0.00 O ATOM 1049 CB PHE A 66 2.082 -13.719 -12.797 1.00 0.00 C ATOM 1050 CG PHE A 66 2.562 -15.110 -12.517 1.00 0.00 C ATOM 1051 CD1 PHE A 66 1.715 -16.201 -12.643 1.00 0.00 C ATOM 1052 CD2 PHE A 66 3.871 -15.327 -12.126 1.00 0.00 C ATOM 1053 CE1 PHE A 66 2.172 -17.479 -12.383 1.00 0.00 C ATOM 1054 CE2 PHE A 66 4.333 -16.600 -11.865 1.00 0.00 C ATOM 1055 CZ PHE A 66 3.481 -17.679 -11.994 1.00 0.00 C ATOM 0 H PHE A 66 1.353 -11.357 -12.892 1.00 0.00 H new ATOM 0 HA PHE A 66 0.363 -13.713 -11.582 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.494 -13.734 -13.714 1.00 0.00 H new ATOM 0 HB3 PHE A 66 2.948 -13.085 -12.984 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.690 -16.051 -12.947 1.00 0.00 H new ATOM 0 HD2 PHE A 66 4.542 -14.487 -12.024 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.504 -18.322 -12.484 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.358 -16.752 -11.561 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.838 -18.678 -11.791 1.00 0.00 H new ATOM 1065 N ASP A 67 3.021 -12.178 -10.301 1.00 0.00 N ATOM 1066 CA ASP A 67 3.781 -11.931 -9.079 1.00 0.00 C ATOM 1067 C ASP A 67 3.401 -10.617 -8.395 1.00 0.00 C ATOM 1068 O ASP A 67 2.983 -9.660 -9.049 1.00 0.00 O ATOM 1069 CB ASP A 67 5.289 -11.934 -9.344 1.00 0.00 C ATOM 1070 CG ASP A 67 5.859 -13.311 -9.660 1.00 0.00 C ATOM 1071 OD1 ASP A 67 5.242 -14.287 -9.309 1.00 0.00 O ATOM 1072 OD2 ASP A 67 6.923 -13.374 -10.228 1.00 0.00 O ATOM 0 H ASP A 67 3.358 -11.654 -11.108 1.00 0.00 H new ATOM 0 HA ASP A 67 3.524 -12.751 -8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.503 -11.264 -10.177 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.802 -11.531 -8.471 1.00 0.00 H new ATOM 1077 N SER A 68 3.554 -10.602 -7.070 1.00 0.00 N ATOM 1078 CA SER A 68 3.286 -9.439 -6.229 1.00 0.00 C ATOM 1079 C SER A 68 4.298 -8.327 -6.515 1.00 0.00 C ATOM 1080 O SER A 68 5.482 -8.629 -6.670 1.00 0.00 O ATOM 1081 CB SER A 68 3.357 -9.830 -4.755 1.00 0.00 C ATOM 1082 OG SER A 68 3.187 -8.723 -3.907 1.00 0.00 O ATOM 0 H SER A 68 3.874 -11.415 -6.543 1.00 0.00 H new ATOM 0 HA SER A 68 2.285 -9.073 -6.457 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.589 -10.573 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.320 -10.299 -4.550 1.00 0.00 H new ATOM 0 HG SER A 68 3.061 -9.033 -2.986 1.00 0.00 H new ATOM 1088 N PRO A 69 3.881 -7.058 -6.605 1.00 0.00 N ATOM 1089 CA PRO A 69 4.742 -5.915 -6.823 1.00 0.00 C ATOM 1090 C PRO A 69 5.515 -5.580 -5.550 1.00 0.00 C ATOM 1091 O PRO A 69 5.133 -6.015 -4.464 1.00 0.00 O ATOM 1092 CB PRO A 69 3.719 -4.838 -7.205 1.00 0.00 C ATOM 1093 CG PRO A 69 2.461 -5.249 -6.486 1.00 0.00 C ATOM 1094 CD PRO A 69 2.449 -6.766 -6.496 1.00 0.00 C ATOM 0 HA PRO A 69 5.517 -6.050 -7.577 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.050 -3.847 -6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.566 -4.799 -8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.452 -4.866 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.578 -4.849 -6.985 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.012 -7.181 -5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.881 -7.168 -7.335 1.00 0.00 H new ATOM 1102 N GLN A 70 6.602 -4.822 -5.660 1.00 0.00 N ATOM 1103 CA GLN A 70 7.325 -4.481 -4.443 1.00 0.00 C ATOM 1104 C GLN A 70 6.552 -3.372 -3.771 1.00 0.00 C ATOM 1105 O GLN A 70 6.348 -2.310 -4.356 1.00 0.00 O ATOM 1106 CB GLN A 70 8.762 -4.030 -4.687 1.00 0.00 C ATOM 1107 CG GLN A 70 9.506 -3.664 -3.413 1.00 0.00 C ATOM 1108 CD GLN A 70 9.751 -4.860 -2.512 1.00 0.00 C ATOM 1109 OE1 GLN A 70 10.343 -5.859 -2.931 1.00 0.00 O ATOM 1110 NE2 GLN A 70 9.298 -4.769 -1.267 1.00 0.00 N ATOM 0 H GLN A 70 6.985 -4.450 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 70 7.400 -5.375 -3.824 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.303 -4.826 -5.198 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.756 -3.169 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.462 -3.209 -3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.934 -2.914 -2.866 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.814 -3.925 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 70 9.434 -5.543 -0.617 1.00 0.00 H new ATOM 1119 N VAL A 71 6.115 -3.623 -2.545 1.00 0.00 N ATOM 1120 CA VAL A 71 5.339 -2.638 -1.812 1.00 0.00 C ATOM 1121 C VAL A 71 6.062 -2.155 -0.569 1.00 0.00 C ATOM 1122 O VAL A 71 6.401 -2.951 0.307 1.00 0.00 O ATOM 1123 CB VAL A 71 3.982 -3.230 -1.424 1.00 0.00 C ATOM 1124 CG1 VAL A 71 3.216 -2.194 -0.636 1.00 0.00 C ATOM 1125 CG2 VAL A 71 3.242 -3.651 -2.684 1.00 0.00 C ATOM 0 H VAL A 71 6.284 -4.494 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 71 5.196 -1.778 -2.466 1.00 0.00 H new ATOM 0 HB VAL A 71 4.101 -4.116 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.245 -2.599 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.777 -1.931 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.072 -1.304 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.274 -4.074 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.092 -2.782 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.828 -4.399 -3.217 1.00 0.00 H new ATOM 1135 N MET A 72 6.302 -0.848 -0.504 1.00 0.00 N ATOM 1136 CA MET A 72 7.007 -0.280 0.637 1.00 0.00 C ATOM 1137 C MET A 72 6.831 1.221 0.798 1.00 0.00 C ATOM 1138 O MET A 72 6.390 1.897 -0.123 1.00 0.00 O ATOM 1139 CB MET A 72 8.491 -0.589 0.473 1.00 0.00 C ATOM 1140 CG MET A 72 9.092 0.069 -0.762 1.00 0.00 C ATOM 1141 SD MET A 72 10.837 -0.311 -0.990 1.00 0.00 S ATOM 1142 CE MET A 72 11.540 0.688 0.316 1.00 0.00 C ATOM 0 H MET A 72 6.023 -0.173 -1.216 1.00 0.00 H new ATOM 0 HA MET A 72 6.581 -0.731 1.533 1.00 0.00 H new ATOM 0 HB2 MET A 72 9.029 -0.251 1.359 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.629 -1.668 0.409 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.538 -0.254 -1.644 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.969 1.149 -0.686 1.00 0.00 H new ATOM 0 HE1 MET A 72 12.625 0.714 0.211 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.145 1.702 0.251 1.00 0.00 H new ATOM 0 HE3 MET A 72 11.280 0.258 1.283 1.00 0.00 H new ATOM 1152 N PHE A 73 7.160 1.747 1.970 1.00 0.00 N ATOM 1153 CA PHE A 73 7.143 3.193 2.166 1.00 0.00 C ATOM 1154 C PHE A 73 8.445 3.700 1.568 1.00 0.00 C ATOM 1155 O PHE A 73 9.461 3.007 1.635 1.00 0.00 O ATOM 1156 CB PHE A 73 7.000 3.615 3.635 1.00 0.00 C ATOM 1157 CG PHE A 73 5.624 3.443 4.207 1.00 0.00 C ATOM 1158 CD1 PHE A 73 5.241 2.258 4.803 1.00 0.00 C ATOM 1159 CD2 PHE A 73 4.706 4.481 4.158 1.00 0.00 C ATOM 1160 CE1 PHE A 73 3.967 2.113 5.320 1.00 0.00 C ATOM 1161 CE2 PHE A 73 3.435 4.329 4.681 1.00 0.00 C ATOM 1162 CZ PHE A 73 3.064 3.141 5.261 1.00 0.00 C ATOM 0 H PHE A 73 7.438 1.206 2.789 1.00 0.00 H new ATOM 0 HA PHE A 73 6.267 3.625 1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.703 3.036 4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.289 4.662 3.728 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.942 1.438 4.866 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.987 5.420 3.705 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.680 1.177 5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.732 5.147 4.633 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.071 3.019 5.666 1.00 0.00 H new ATOM 1172 N THR A 74 8.436 4.892 0.985 1.00 0.00 N ATOM 1173 CA THR A 74 9.664 5.387 0.367 1.00 0.00 C ATOM 1174 C THR A 74 9.868 6.884 0.516 1.00 0.00 C ATOM 1175 O THR A 74 8.914 7.659 0.571 1.00 0.00 O ATOM 1176 CB THR A 74 9.666 5.075 -1.141 1.00 0.00 C ATOM 1177 OG1 THR A 74 10.930 5.423 -1.724 1.00 0.00 O ATOM 1178 CG2 THR A 74 8.581 5.906 -1.816 1.00 0.00 C ATOM 0 H THR A 74 7.629 5.514 0.926 1.00 0.00 H new ATOM 0 HA THR A 74 10.472 4.877 0.892 1.00 0.00 H new ATOM 0 HB THR A 74 9.485 4.009 -1.281 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.916 5.217 -2.682 1.00 0.00 H new ATOM 0 HG21 THR A 74 8.572 5.694 -2.885 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.611 5.654 -1.388 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.783 6.965 -1.658 1.00 0.00 H new ATOM 1186 N GLY A 75 11.135 7.279 0.558 1.00 0.00 N ATOM 1187 CA GLY A 75 11.512 8.677 0.702 1.00 0.00 C ATOM 1188 C GLY A 75 12.238 8.932 2.013 1.00 0.00 C ATOM 1189 O GLY A 75 12.565 8.003 2.753 1.00 0.00 O ATOM 0 H GLY A 75 11.927 6.640 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.152 8.969 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.620 9.301 0.653 1.00 0.00 H new ATOM 1193 N GLU A 76 12.488 10.211 2.281 1.00 0.00 N ATOM 1194 CA GLU A 76 13.177 10.692 3.477 1.00 0.00 C ATOM 1195 C GLU A 76 12.409 10.569 4.795 1.00 0.00 C ATOM 1196 O GLU A 76 12.988 10.794 5.859 1.00 0.00 O ATOM 1197 CB GLU A 76 13.553 12.161 3.275 1.00 0.00 C ATOM 1198 CG GLU A 76 12.365 13.112 3.203 1.00 0.00 C ATOM 1199 CD GLU A 76 11.777 13.210 1.823 1.00 0.00 C ATOM 1200 OE1 GLU A 76 12.045 12.349 1.019 1.00 0.00 O ATOM 1201 OE2 GLU A 76 11.057 14.147 1.570 1.00 0.00 O ATOM 0 H GLU A 76 12.209 10.965 1.653 1.00 0.00 H new ATOM 0 HA GLU A 76 14.042 10.037 3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.203 12.473 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.132 12.252 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.595 12.777 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.679 14.103 3.530 1.00 0.00 H new ATOM 1208 N ASN A 77 11.125 10.227 4.745 1.00 0.00 N ATOM 1209 CA ASN A 77 10.341 10.120 5.964 1.00 0.00 C ATOM 1210 C ASN A 77 9.505 8.848 5.998 1.00 0.00 C ATOM 1211 O ASN A 77 8.395 8.795 5.464 1.00 0.00 O ATOM 1212 CB ASN A 77 9.461 11.346 6.113 1.00 0.00 C ATOM 1213 CG ASN A 77 8.702 11.369 7.409 1.00 0.00 C ATOM 1214 OD1 ASN A 77 8.778 10.430 8.209 1.00 0.00 O ATOM 1215 ND2 ASN A 77 7.968 12.429 7.632 1.00 0.00 N ATOM 0 H ASN A 77 10.614 10.023 3.886 1.00 0.00 H new ATOM 0 HA ASN A 77 11.032 10.065 6.805 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.079 12.241 6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.755 11.382 5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.429 12.504 8.495 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.935 13.181 6.943 1.00 0.00 H new ATOM 1222 N ILE A 78 10.062 7.826 6.639 1.00 0.00 N ATOM 1223 CA ILE A 78 9.406 6.538 6.801 1.00 0.00 C ATOM 1224 C ILE A 78 8.706 6.574 8.163 1.00 0.00 C ATOM 1225 O ILE A 78 9.370 6.866 9.158 1.00 0.00 O ATOM 1226 CB ILE A 78 10.423 5.385 6.717 1.00 0.00 C ATOM 1227 CG1 ILE A 78 11.195 5.485 5.397 1.00 0.00 C ATOM 1228 CG2 ILE A 78 9.723 4.041 6.813 1.00 0.00 C ATOM 1229 CD1 ILE A 78 10.314 5.427 4.175 1.00 0.00 C ATOM 0 H ILE A 78 10.989 7.871 7.063 1.00 0.00 H new ATOM 0 HA ILE A 78 8.684 6.361 6.004 1.00 0.00 H new ATOM 0 HB ILE A 78 11.118 5.465 7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.757 6.419 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.922 4.674 5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.461 3.241 6.751 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.193 3.974 7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.011 3.942 5.993 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.930 5.504 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.771 4.482 4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.604 6.253 4.199 1.00 0.00 H new ATOM 1241 N PRO A 79 7.399 6.305 8.253 1.00 0.00 N ATOM 1242 CA PRO A 79 6.647 6.386 9.487 1.00 0.00 C ATOM 1243 C PRO A 79 6.929 5.314 10.526 1.00 0.00 C ATOM 1244 O PRO A 79 7.387 4.215 10.213 1.00 0.00 O ATOM 1245 CB PRO A 79 5.218 6.253 8.957 1.00 0.00 C ATOM 1246 CG PRO A 79 5.347 5.459 7.689 1.00 0.00 C ATOM 1247 CD PRO A 79 6.652 5.891 7.058 1.00 0.00 C ATOM 0 HA PRO A 79 6.892 7.294 10.038 1.00 0.00 H new ATOM 0 HB2 PRO A 79 4.576 5.746 9.677 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.775 7.231 8.767 1.00 0.00 H new ATOM 0 HG2 PRO A 79 5.350 4.389 7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.508 5.652 7.021 1.00 0.00 H new ATOM 0 HD2 PRO A 79 7.143 5.079 6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.520 6.707 6.348 1.00 0.00 H new ATOM 1255 N VAL A 80 6.634 5.661 11.775 1.00 0.00 N ATOM 1256 CA VAL A 80 6.788 4.752 12.900 1.00 0.00 C ATOM 1257 C VAL A 80 5.446 4.089 13.155 1.00 0.00 C ATOM 1258 O VAL A 80 4.449 4.765 13.408 1.00 0.00 O ATOM 1259 CB VAL A 80 7.273 5.484 14.163 1.00 0.00 C ATOM 1260 CG1 VAL A 80 7.365 4.499 15.321 1.00 0.00 C ATOM 1261 CG2 VAL A 80 8.629 6.116 13.887 1.00 0.00 C ATOM 0 H VAL A 80 6.281 6.582 12.033 1.00 0.00 H new ATOM 0 HA VAL A 80 7.545 4.006 12.658 1.00 0.00 H new ATOM 0 HB VAL A 80 6.566 6.269 14.432 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.709 5.019 16.215 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.383 4.065 15.509 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.069 3.706 15.069 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.977 6.636 14.780 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.345 5.339 13.618 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.539 6.826 13.065 1.00 0.00 H new ATOM 1271 N HIS A 81 5.450 2.767 13.102 1.00 0.00 N ATOM 1272 CA HIS A 81 4.253 1.955 13.240 1.00 0.00 C ATOM 1273 C HIS A 81 4.669 0.533 13.583 1.00 0.00 C ATOM 1274 O HIS A 81 5.702 0.093 13.091 1.00 0.00 O ATOM 1275 CB HIS A 81 3.469 1.957 11.922 1.00 0.00 C ATOM 1276 CG HIS A 81 2.119 1.316 11.948 1.00 0.00 C ATOM 1277 ND1 HIS A 81 1.948 -0.052 11.985 1.00 0.00 N ATOM 1278 CD2 HIS A 81 0.878 1.849 11.924 1.00 0.00 C ATOM 1279 CE1 HIS A 81 0.656 -0.325 11.996 1.00 0.00 C ATOM 1280 NE2 HIS A 81 -0.010 0.809 11.951 1.00 0.00 N ATOM 0 H HIS A 81 6.299 2.220 12.960 1.00 0.00 H new ATOM 0 HA HIS A 81 3.619 2.361 14.028 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.350 2.991 11.598 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.071 1.453 11.166 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.633 2.900 11.890 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.220 -1.312 12.035 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -1.026 0.898 11.938 1.00 0.00 H new ATOM 1288 N PRO A 82 3.938 -0.225 14.402 1.00 0.00 N ATOM 1289 CA PRO A 82 4.260 -1.610 14.694 1.00 0.00 C ATOM 1290 C PRO A 82 4.514 -2.499 13.468 1.00 0.00 C ATOM 1291 O PRO A 82 5.287 -3.454 13.559 1.00 0.00 O ATOM 1292 CB PRO A 82 3.006 -2.013 15.469 1.00 0.00 C ATOM 1293 CG PRO A 82 2.571 -0.743 16.152 1.00 0.00 C ATOM 1294 CD PRO A 82 2.860 0.379 15.192 1.00 0.00 C ATOM 0 HA PRO A 82 5.205 -1.730 15.224 1.00 0.00 H new ATOM 0 HB2 PRO A 82 2.231 -2.393 14.803 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.220 -2.801 16.191 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.510 -0.779 16.398 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.111 -0.601 17.088 1.00 0.00 H new ATOM 0 HD2 PRO A 82 1.994 0.639 14.583 1.00 0.00 H new ATOM 0 HD3 PRO A 82 3.177 1.290 15.700 1.00 0.00 H new ATOM 1302 N HIS A 83 3.874 -2.205 12.336 1.00 0.00 N ATOM 1303 CA HIS A 83 4.080 -2.968 11.115 1.00 0.00 C ATOM 1304 C HIS A 83 4.927 -2.233 10.068 1.00 0.00 C ATOM 1305 O HIS A 83 5.016 -2.671 8.921 1.00 0.00 O ATOM 1306 CB HIS A 83 2.719 -3.318 10.518 1.00 0.00 C ATOM 1307 CG HIS A 83 1.907 -4.201 11.413 1.00 0.00 C ATOM 1308 ND1 HIS A 83 1.111 -3.701 12.422 1.00 0.00 N ATOM 1309 CD2 HIS A 83 1.767 -5.545 11.458 1.00 0.00 C ATOM 1310 CE1 HIS A 83 0.516 -4.700 13.048 1.00 0.00 C ATOM 1311 NE2 HIS A 83 0.897 -5.829 12.482 1.00 0.00 N ATOM 0 H HIS A 83 3.206 -1.439 12.244 1.00 0.00 H new ATOM 0 HA HIS A 83 4.637 -3.865 11.386 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.166 -2.400 10.321 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.864 -3.815 9.559 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.249 -6.262 10.810 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.166 -4.608 13.881 1.00 0.00 H new ATOM 0 HE2 HIS A 83 0.594 -6.762 12.760 1.00 0.00 H new ATOM 1319 N VAL A 84 5.571 -1.122 10.426 1.00 0.00 N ATOM 1320 CA VAL A 84 6.394 -0.415 9.447 1.00 0.00 C ATOM 1321 C VAL A 84 7.822 -0.272 9.944 1.00 0.00 C ATOM 1322 O VAL A 84 8.083 0.247 11.029 1.00 0.00 O ATOM 1323 CB VAL A 84 5.846 0.983 9.106 1.00 0.00 C ATOM 1324 CG1 VAL A 84 6.778 1.659 8.106 1.00 0.00 C ATOM 1325 CG2 VAL A 84 4.447 0.850 8.529 1.00 0.00 C ATOM 0 H VAL A 84 5.542 -0.703 11.356 1.00 0.00 H new ATOM 0 HA VAL A 84 6.369 -1.020 8.541 1.00 0.00 H new ATOM 0 HB VAL A 84 5.795 1.594 10.007 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.393 2.649 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.773 1.753 8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.835 1.058 7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.058 1.839 8.287 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.483 0.243 7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.795 0.373 9.261 1.00 0.00 H new ATOM 1335 N TYR A 85 8.753 -0.721 9.121 1.00 0.00 N ATOM 1336 CA TYR A 85 10.156 -0.671 9.469 1.00 0.00 C ATOM 1337 C TYR A 85 10.796 0.553 8.857 1.00 0.00 C ATOM 1338 O TYR A 85 10.286 1.082 7.872 1.00 0.00 O ATOM 1339 CB TYR A 85 10.838 -1.938 9.010 1.00 0.00 C ATOM 1340 CG TYR A 85 10.300 -3.141 9.747 1.00 0.00 C ATOM 1341 CD1 TYR A 85 10.799 -3.475 10.996 1.00 0.00 C ATOM 1342 CD2 TYR A 85 9.296 -3.904 9.176 1.00 0.00 C ATOM 1343 CE1 TYR A 85 10.300 -4.577 11.661 1.00 0.00 C ATOM 1344 CE2 TYR A 85 8.796 -5.004 9.836 1.00 0.00 C ATOM 1345 CZ TYR A 85 9.303 -5.340 11.085 1.00 0.00 C ATOM 1346 OH TYR A 85 8.809 -6.437 11.751 1.00 0.00 O ATOM 0 H TYR A 85 8.559 -1.125 8.205 1.00 0.00 H new ATOM 0 HA TYR A 85 10.264 -0.599 10.551 1.00 0.00 H new ATOM 0 HB2 TYR A 85 10.689 -2.067 7.938 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.912 -1.857 9.175 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.575 -2.875 11.447 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.903 -3.635 8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.690 -4.843 12.633 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.016 -5.601 9.386 1.00 0.00 H new ATOM 0 HH TYR A 85 8.112 -6.863 11.209 1.00 0.00 H new ATOM 1356 N SER A 86 11.923 0.979 9.426 1.00 0.00 N ATOM 1357 CA SER A 86 12.631 2.197 9.025 1.00 0.00 C ATOM 1358 C SER A 86 13.144 2.195 7.591 1.00 0.00 C ATOM 1359 O SER A 86 13.446 3.254 7.041 1.00 0.00 O ATOM 1360 CB SER A 86 13.831 2.409 9.924 1.00 0.00 C ATOM 1361 OG SER A 86 14.810 1.436 9.664 1.00 0.00 O ATOM 0 H SER A 86 12.378 0.481 10.191 1.00 0.00 H new ATOM 0 HA SER A 86 11.890 2.992 9.110 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.245 3.404 9.762 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.525 2.358 10.969 1.00 0.00 H new ATOM 0 HG SER A 86 15.582 1.584 10.250 1.00 0.00 H new ATOM 1367 N ASN A 87 13.260 1.017 6.987 1.00 0.00 N ATOM 1368 CA ASN A 87 13.675 0.914 5.601 1.00 0.00 C ATOM 1369 C ASN A 87 12.490 0.854 4.641 1.00 0.00 C ATOM 1370 O ASN A 87 12.676 0.571 3.458 1.00 0.00 O ATOM 1371 CB ASN A 87 14.548 -0.306 5.432 1.00 0.00 C ATOM 1372 CG ASN A 87 13.812 -1.594 5.668 1.00 0.00 C ATOM 1373 OD1 ASN A 87 12.611 -1.645 5.964 1.00 0.00 O ATOM 1374 ND2 ASN A 87 14.551 -2.660 5.530 1.00 0.00 N ATOM 0 H ASN A 87 13.071 0.122 7.439 1.00 0.00 H new ATOM 0 HA ASN A 87 14.237 1.814 5.352 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.964 -0.311 4.424 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.388 -0.243 6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.143 -3.585 5.667 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.537 -2.569 5.285 1.00 0.00 H new ATOM 1381 N GLY A 88 11.279 1.104 5.140 1.00 0.00 N ATOM 1382 CA GLY A 88 10.079 1.107 4.323 1.00 0.00 C ATOM 1383 C GLY A 88 9.317 -0.215 4.324 1.00 0.00 C ATOM 1384 O GLY A 88 8.213 -0.275 3.782 1.00 0.00 O ATOM 0 H GLY A 88 11.109 1.310 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.415 1.896 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.352 1.355 3.297 1.00 0.00 H new ATOM 1388 N HIS A 89 9.871 -1.274 4.917 1.00 0.00 N ATOM 1389 CA HIS A 89 9.183 -2.564 4.898 1.00 0.00 C ATOM 1390 C HIS A 89 7.838 -2.548 5.625 1.00 0.00 C ATOM 1391 O HIS A 89 7.689 -2.025 6.730 1.00 0.00 O ATOM 1392 CB HIS A 89 10.094 -3.651 5.487 1.00 0.00 C ATOM 1393 CG HIS A 89 9.548 -5.040 5.389 1.00 0.00 C ATOM 1394 ND1 HIS A 89 8.532 -5.498 6.202 1.00 0.00 N ATOM 1395 CD2 HIS A 89 9.877 -6.074 4.580 1.00 0.00 C ATOM 1396 CE1 HIS A 89 8.257 -6.753 5.896 1.00 0.00 C ATOM 1397 NE2 HIS A 89 9.059 -7.126 4.915 1.00 0.00 N ATOM 0 H HIS A 89 10.768 -1.267 5.403 1.00 0.00 H new ATOM 0 HA HIS A 89 8.963 -2.785 3.854 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.056 -3.616 4.977 1.00 0.00 H new ATOM 0 HB3 HIS A 89 10.281 -3.421 6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 89 10.639 -6.073 3.815 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.505 -7.369 6.367 1.00 0.00 H new ATOM 0 HE2 HIS A 89 9.069 -8.047 4.477 1.00 0.00 H new ATOM 1405 N ILE A 90 6.840 -3.144 4.974 1.00 0.00 N ATOM 1406 CA ILE A 90 5.480 -3.213 5.499 1.00 0.00 C ATOM 1407 C ILE A 90 5.086 -4.642 5.854 1.00 0.00 C ATOM 1408 O ILE A 90 4.931 -5.493 4.977 1.00 0.00 O ATOM 1409 CB ILE A 90 4.477 -2.661 4.470 1.00 0.00 C ATOM 1410 CG1 ILE A 90 4.812 -1.213 4.141 1.00 0.00 C ATOM 1411 CG2 ILE A 90 3.063 -2.768 5.011 1.00 0.00 C ATOM 1412 CD1 ILE A 90 4.006 -0.661 2.993 1.00 0.00 C ATOM 0 H ILE A 90 6.954 -3.593 4.065 1.00 0.00 H new ATOM 0 HA ILE A 90 5.455 -2.607 6.405 1.00 0.00 H new ATOM 0 HB ILE A 90 4.545 -3.251 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.641 -0.598 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.873 -1.138 3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.361 -2.375 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.829 -3.813 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.982 -2.193 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.294 0.374 2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.195 -1.253 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.945 -0.705 3.239 1.00 0.00 H new ATOM 1424 N CYS A 91 4.865 -4.902 7.139 1.00 0.00 N ATOM 1425 CA CYS A 91 4.556 -6.243 7.626 1.00 0.00 C ATOM 1426 C CYS A 91 3.113 -6.710 7.461 1.00 0.00 C ATOM 1427 O CYS A 91 2.430 -6.978 8.450 1.00 0.00 O ATOM 1428 CB CYS A 91 4.909 -6.330 9.109 1.00 0.00 C ATOM 1429 SG CYS A 91 4.627 -7.961 9.837 1.00 0.00 S ATOM 0 H CYS A 91 4.895 -4.192 7.870 1.00 0.00 H new ATOM 0 HA CYS A 91 5.153 -6.903 6.997 1.00 0.00 H new ATOM 0 HB2 CYS A 91 5.957 -6.062 9.239 1.00 0.00 H new ATOM 0 HB3 CYS A 91 4.321 -5.593 9.656 1.00 0.00 H new ATOM 0 HG CYS A 91 3.435 -8.376 9.524 1.00 0.00 H new ATOM 1435 N LEU A 92 2.651 -6.820 6.221 1.00 0.00 N ATOM 1436 CA LEU A 92 1.303 -7.317 5.976 1.00 0.00 C ATOM 1437 C LEU A 92 1.327 -8.580 5.135 1.00 0.00 C ATOM 1438 O LEU A 92 2.070 -8.671 4.154 1.00 0.00 O ATOM 1439 CB LEU A 92 0.444 -6.260 5.279 1.00 0.00 C ATOM 1440 CG LEU A 92 0.205 -4.956 6.042 1.00 0.00 C ATOM 1441 CD1 LEU A 92 -0.550 -3.980 5.144 1.00 0.00 C ATOM 1442 CD2 LEU A 92 -0.590 -5.274 7.299 1.00 0.00 C ATOM 0 H LEU A 92 3.179 -6.577 5.383 1.00 0.00 H new ATOM 0 HA LEU A 92 0.865 -7.547 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.913 -6.015 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.525 -6.704 5.053 1.00 0.00 H new ATOM 0 HG LEU A 92 1.149 -4.493 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.723 -3.049 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.040 -3.777 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.507 -4.416 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.771 -4.355 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.543 -5.724 7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.026 -5.971 7.919 1.00 0.00 H new ATOM 1454 N SER A 93 0.461 -9.536 5.486 1.00 0.00 N ATOM 1455 CA SER A 93 0.425 -10.803 4.766 1.00 0.00 C ATOM 1456 C SER A 93 -0.038 -10.634 3.342 1.00 0.00 C ATOM 1457 O SER A 93 0.407 -11.367 2.464 1.00 0.00 O ATOM 1458 CB SER A 93 -0.541 -11.786 5.379 1.00 0.00 C ATOM 1459 OG SER A 93 -1.849 -11.316 5.197 1.00 0.00 O ATOM 0 H SER A 93 -0.210 -9.456 6.250 1.00 0.00 H new ATOM 0 HA SER A 93 1.450 -11.169 4.816 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.425 -12.766 4.916 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.330 -11.909 6.441 1.00 0.00 H new ATOM 0 HG SER A 93 -2.482 -12.054 5.323 1.00 0.00 H new ATOM 1465 N ILE A 94 -0.860 -9.610 3.101 1.00 0.00 N ATOM 1466 CA ILE A 94 -1.419 -9.299 1.793 1.00 0.00 C ATOM 1467 C ILE A 94 -0.396 -8.880 0.766 1.00 0.00 C ATOM 1468 O ILE A 94 -0.771 -8.669 -0.382 1.00 0.00 O ATOM 1469 CB ILE A 94 -2.428 -8.144 1.856 1.00 0.00 C ATOM 1470 CG1 ILE A 94 -1.688 -6.874 2.275 1.00 0.00 C ATOM 1471 CG2 ILE A 94 -3.531 -8.481 2.844 1.00 0.00 C ATOM 1472 CD1 ILE A 94 -2.484 -5.603 2.159 1.00 0.00 C ATOM 0 H ILE A 94 -1.159 -8.962 3.830 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.884 -10.239 1.495 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.887 -7.986 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.362 -6.987 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.789 -6.778 1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.245 -7.659 2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.041 -9.389 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.099 -8.637 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.872 -4.760 2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.788 -5.458 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.370 -5.669 2.791 1.00 0.00 H new ATOM 1484 N LEU A 95 0.863 -8.686 1.153 1.00 0.00 N ATOM 1485 CA LEU A 95 1.873 -8.311 0.192 1.00 0.00 C ATOM 1486 C LEU A 95 2.634 -9.558 -0.269 1.00 0.00 C ATOM 1487 O LEU A 95 3.245 -9.581 -1.342 1.00 0.00 O ATOM 1488 CB LEU A 95 2.794 -7.287 0.854 1.00 0.00 C ATOM 1489 CG LEU A 95 2.042 -6.044 1.353 1.00 0.00 C ATOM 1490 CD1 LEU A 95 3.008 -5.089 2.029 1.00 0.00 C ATOM 1491 CD2 LEU A 95 1.321 -5.400 0.192 1.00 0.00 C ATOM 0 H LEU A 95 1.195 -8.783 2.112 1.00 0.00 H new ATOM 0 HA LEU A 95 1.428 -7.862 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.308 -7.756 1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.560 -6.981 0.142 1.00 0.00 H new ATOM 0 HG LEU A 95 1.297 -6.327 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.466 -4.211 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.479 -5.587 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.774 -4.782 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.785 -4.517 0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.045 -5.108 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.612 -6.109 -0.235 1.00 0.00 H new ATOM 1503 N THR A 96 2.564 -10.619 0.541 1.00 0.00 N ATOM 1504 CA THR A 96 3.237 -11.881 0.265 1.00 0.00 C ATOM 1505 C THR A 96 2.200 -12.999 0.223 1.00 0.00 C ATOM 1506 O THR A 96 1.488 -13.164 -0.765 1.00 0.00 O ATOM 1507 CB THR A 96 4.316 -12.215 1.316 1.00 0.00 C ATOM 1508 OG1 THR A 96 3.715 -12.265 2.617 1.00 0.00 O ATOM 1509 CG2 THR A 96 5.412 -11.161 1.312 1.00 0.00 C ATOM 0 H THR A 96 2.033 -10.621 1.412 1.00 0.00 H new ATOM 0 HA THR A 96 3.742 -11.786 -0.697 1.00 0.00 H new ATOM 0 HB THR A 96 4.755 -13.181 1.069 1.00 0.00 H new ATOM 0 HG1 THR A 96 4.399 -12.479 3.285 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.163 -11.414 2.060 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.878 -11.124 0.327 1.00 0.00 H new ATOM 0 HG23 THR A 96 4.981 -10.187 1.546 1.00 0.00 H new ATOM 1517 N GLU A 97 2.130 -13.752 1.325 1.00 0.00 N ATOM 1518 CA GLU A 97 1.257 -14.910 1.533 1.00 0.00 C ATOM 1519 C GLU A 97 -0.195 -14.788 1.071 1.00 0.00 C ATOM 1520 O GLU A 97 -0.715 -15.704 0.432 1.00 0.00 O ATOM 1521 CB GLU A 97 1.264 -15.251 3.026 1.00 0.00 C ATOM 1522 CG GLU A 97 0.445 -16.476 3.408 1.00 0.00 C ATOM 1523 CD GLU A 97 0.553 -16.816 4.871 1.00 0.00 C ATOM 1524 OE1 GLU A 97 1.240 -16.116 5.577 1.00 0.00 O ATOM 1525 OE2 GLU A 97 -0.041 -17.784 5.284 1.00 0.00 O ATOM 0 H GLU A 97 2.713 -13.559 2.140 1.00 0.00 H new ATOM 0 HA GLU A 97 1.677 -15.688 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 97 2.295 -15.408 3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.887 -14.392 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.601 -16.301 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.777 -17.329 2.816 1.00 0.00 H new ATOM 1532 N ASP A 98 -0.847 -13.676 1.391 1.00 0.00 N ATOM 1533 CA ASP A 98 -2.235 -13.449 1.017 1.00 0.00 C ATOM 1534 C ASP A 98 -2.396 -12.566 -0.221 1.00 0.00 C ATOM 1535 O ASP A 98 -3.522 -12.193 -0.557 1.00 0.00 O ATOM 1536 CB ASP A 98 -3.015 -12.850 2.197 1.00 0.00 C ATOM 1537 CG ASP A 98 -3.194 -13.825 3.361 1.00 0.00 C ATOM 1538 OD1 ASP A 98 -3.328 -14.995 3.091 1.00 0.00 O ATOM 1539 OD2 ASP A 98 -3.198 -13.409 4.499 1.00 0.00 O ATOM 0 H ASP A 98 -0.428 -12.909 1.916 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.645 -14.425 0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.495 -11.961 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.996 -12.527 1.849 1.00 0.00 H new ATOM 1544 N TRP A 99 -1.301 -12.215 -0.897 1.00 0.00 N ATOM 1545 CA TRP A 99 -1.425 -11.394 -2.092 1.00 0.00 C ATOM 1546 C TRP A 99 -1.973 -12.263 -3.205 1.00 0.00 C ATOM 1547 O TRP A 99 -1.596 -13.429 -3.327 1.00 0.00 O ATOM 1548 CB TRP A 99 -0.100 -10.786 -2.567 1.00 0.00 C ATOM 1549 CG TRP A 99 -0.317 -9.807 -3.690 1.00 0.00 C ATOM 1550 CD1 TRP A 99 -0.627 -8.486 -3.545 1.00 0.00 C ATOM 1551 CD2 TRP A 99 -0.263 -10.041 -5.120 1.00 0.00 C ATOM 1552 NE1 TRP A 99 -0.779 -7.893 -4.766 1.00 0.00 N ATOM 1553 CE2 TRP A 99 -0.565 -8.825 -5.738 1.00 0.00 C ATOM 1554 CE3 TRP A 99 0.006 -11.167 -5.910 1.00 0.00 C ATOM 1555 CZ2 TRP A 99 -0.612 -8.695 -7.108 1.00 0.00 C ATOM 1556 CZ3 TRP A 99 -0.036 -11.031 -7.290 1.00 0.00 C ATOM 1557 CH2 TRP A 99 -0.338 -9.823 -7.859 1.00 0.00 C ATOM 0 H TRP A 99 -0.348 -12.478 -0.645 1.00 0.00 H new ATOM 0 HA TRP A 99 -2.084 -10.563 -1.842 1.00 0.00 H new ATOM 0 HB2 TRP A 99 0.391 -10.283 -1.734 1.00 0.00 H new ATOM 0 HB3 TRP A 99 0.569 -11.580 -2.899 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -0.737 -7.980 -2.597 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -1.014 -6.913 -4.925 1.00 0.00 H new ATOM 0 HE3 TRP A 99 0.240 -12.118 -5.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.853 -7.752 -7.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 0.171 -11.884 -7.920 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.363 -9.748 -8.936 1.00 0.00 H new ATOM 1568 N SER A 100 -2.854 -11.708 -4.022 1.00 0.00 N ATOM 1569 CA SER A 100 -3.372 -12.476 -5.135 1.00 0.00 C ATOM 1570 C SER A 100 -3.560 -11.540 -6.323 1.00 0.00 C ATOM 1571 O SER A 100 -3.737 -10.342 -6.110 1.00 0.00 O ATOM 1572 CB SER A 100 -4.690 -13.122 -4.751 1.00 0.00 C ATOM 1573 OG SER A 100 -5.683 -12.159 -4.534 1.00 0.00 O ATOM 0 H SER A 100 -3.215 -10.758 -3.938 1.00 0.00 H new ATOM 0 HA SER A 100 -2.673 -13.268 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.007 -13.804 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.556 -13.719 -3.849 1.00 0.00 H new ATOM 0 HG SER A 100 -6.522 -12.603 -4.290 1.00 0.00 H new ATOM 1579 N PRO A 101 -3.540 -12.051 -7.564 1.00 0.00 N ATOM 1580 CA PRO A 101 -3.734 -11.309 -8.801 1.00 0.00 C ATOM 1581 C PRO A 101 -5.009 -10.478 -8.836 1.00 0.00 C ATOM 1582 O PRO A 101 -5.077 -9.446 -9.502 1.00 0.00 O ATOM 1583 CB PRO A 101 -3.771 -12.451 -9.822 1.00 0.00 C ATOM 1584 CG PRO A 101 -2.932 -13.536 -9.210 1.00 0.00 C ATOM 1585 CD PRO A 101 -3.184 -13.468 -7.725 1.00 0.00 C ATOM 0 HA PRO A 101 -2.963 -10.558 -8.971 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -4.791 -12.791 -9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.369 -12.135 -10.785 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.206 -14.513 -9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.876 -13.386 -9.434 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -3.989 -14.133 -7.413 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.302 -13.740 -7.144 1.00 0.00 H new ATOM 1593 N ALA A 102 -6.026 -10.961 -8.123 1.00 0.00 N ATOM 1594 CA ALA A 102 -7.325 -10.326 -7.978 1.00 0.00 C ATOM 1595 C ALA A 102 -7.257 -8.991 -7.237 1.00 0.00 C ATOM 1596 O ALA A 102 -8.166 -8.172 -7.380 1.00 0.00 O ATOM 1597 CB ALA A 102 -8.263 -11.264 -7.238 1.00 0.00 C ATOM 0 H ALA A 102 -5.959 -11.841 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.694 -10.118 -8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.239 -10.791 -7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.371 -12.190 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -7.853 -11.485 -6.252 1.00 0.00 H new ATOM 1603 N LEU A 103 -6.213 -8.759 -6.441 1.00 0.00 N ATOM 1604 CA LEU A 103 -6.129 -7.506 -5.713 1.00 0.00 C ATOM 1605 C LEU A 103 -5.700 -6.372 -6.625 1.00 0.00 C ATOM 1606 O LEU A 103 -4.797 -6.523 -7.449 1.00 0.00 O ATOM 1607 CB LEU A 103 -5.120 -7.616 -4.559 1.00 0.00 C ATOM 1608 CG LEU A 103 -5.457 -8.617 -3.448 1.00 0.00 C ATOM 1609 CD1 LEU A 103 -4.307 -8.667 -2.447 1.00 0.00 C ATOM 1610 CD2 LEU A 103 -6.751 -8.191 -2.773 1.00 0.00 C ATOM 0 H LEU A 103 -5.438 -9.405 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.122 -7.295 -5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.151 -7.885 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -5.009 -6.630 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.593 -9.615 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.544 -9.378 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.395 -8.981 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.159 -7.678 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.998 -8.898 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.628 -7.196 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.556 -8.173 -3.508 1.00 0.00 H new ATOM 1622 N SER A 104 -6.361 -5.232 -6.465 1.00 0.00 N ATOM 1623 CA SER A 104 -6.019 -4.032 -7.211 1.00 0.00 C ATOM 1624 C SER A 104 -4.961 -3.297 -6.411 1.00 0.00 C ATOM 1625 O SER A 104 -4.738 -3.647 -5.250 1.00 0.00 O ATOM 1626 CB SER A 104 -7.245 -3.165 -7.465 1.00 0.00 C ATOM 1627 OG SER A 104 -7.786 -2.592 -6.301 1.00 0.00 O ATOM 0 H SER A 104 -7.142 -5.116 -5.820 1.00 0.00 H new ATOM 0 HA SER A 104 -5.632 -4.290 -8.197 1.00 0.00 H new ATOM 0 HB2 SER A 104 -6.978 -2.369 -8.160 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.011 -3.769 -7.951 1.00 0.00 H new ATOM 0 HG SER A 104 -8.567 -2.049 -6.536 1.00 0.00 H new ATOM 1633 N VAL A 105 -4.333 -2.282 -7.006 1.00 0.00 N ATOM 1634 CA VAL A 105 -3.307 -1.528 -6.296 1.00 0.00 C ATOM 1635 C VAL A 105 -4.040 -0.805 -5.196 1.00 0.00 C ATOM 1636 O VAL A 105 -3.573 -0.772 -4.063 1.00 0.00 O ATOM 1637 CB VAL A 105 -2.558 -0.523 -7.187 1.00 0.00 C ATOM 1638 CG1 VAL A 105 -1.633 0.320 -6.314 1.00 0.00 C ATOM 1639 CG2 VAL A 105 -1.793 -1.275 -8.259 1.00 0.00 C ATOM 0 H VAL A 105 -4.514 -1.969 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 105 -2.536 -2.204 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.258 0.147 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.097 1.036 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.223 0.856 -5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.917 -0.329 -5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.261 -0.565 -8.892 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.077 -1.950 -7.790 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.490 -1.852 -8.867 1.00 0.00 H new ATOM 1649 N GLN A 106 -5.188 -0.247 -5.570 1.00 0.00 N ATOM 1650 CA GLN A 106 -6.108 0.431 -4.679 1.00 0.00 C ATOM 1651 C GLN A 106 -6.472 -0.444 -3.493 1.00 0.00 C ATOM 1652 O GLN A 106 -6.426 0.031 -2.362 1.00 0.00 O ATOM 1653 CB GLN A 106 -7.370 0.817 -5.447 1.00 0.00 C ATOM 1654 CG GLN A 106 -8.422 1.536 -4.632 1.00 0.00 C ATOM 1655 CD GLN A 106 -9.670 1.808 -5.454 1.00 0.00 C ATOM 1656 OE1 GLN A 106 -9.742 1.408 -6.618 1.00 0.00 O ATOM 1657 NE2 GLN A 106 -10.657 2.473 -4.865 1.00 0.00 N ATOM 0 H GLN A 106 -5.509 -0.258 -6.538 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.619 1.328 -4.298 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.086 1.452 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.812 -0.087 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.682 0.936 -3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.017 2.477 -4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.556 2.786 -3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.516 2.671 -5.378 1.00 0.00 H new ATOM 1666 N SER A 107 -6.852 -1.701 -3.744 1.00 0.00 N ATOM 1667 CA SER A 107 -7.213 -2.627 -2.673 1.00 0.00 C ATOM 1668 C SER A 107 -6.081 -2.803 -1.666 1.00 0.00 C ATOM 1669 O SER A 107 -6.314 -2.780 -0.452 1.00 0.00 O ATOM 1670 CB SER A 107 -7.541 -3.999 -3.240 1.00 0.00 C ATOM 1671 OG SER A 107 -8.667 -3.967 -4.074 1.00 0.00 O ATOM 0 H SER A 107 -6.917 -2.098 -4.681 1.00 0.00 H new ATOM 0 HA SER A 107 -8.081 -2.196 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.685 -4.374 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 107 -7.716 -4.697 -2.421 1.00 0.00 H new ATOM 0 HG SER A 107 -8.448 -3.490 -4.901 1.00 0.00 H new ATOM 1677 N VAL A 108 -4.863 -2.975 -2.185 1.00 0.00 N ATOM 1678 CA VAL A 108 -3.677 -3.139 -1.356 1.00 0.00 C ATOM 1679 C VAL A 108 -3.351 -1.886 -0.569 1.00 0.00 C ATOM 1680 O VAL A 108 -3.057 -1.968 0.622 1.00 0.00 O ATOM 1681 CB VAL A 108 -2.466 -3.527 -2.218 1.00 0.00 C ATOM 1682 CG1 VAL A 108 -1.206 -3.491 -1.372 1.00 0.00 C ATOM 1683 CG2 VAL A 108 -2.687 -4.924 -2.783 1.00 0.00 C ATOM 0 H VAL A 108 -4.676 -3.004 -3.187 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.897 -3.937 -0.647 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.352 -2.821 -3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.348 -3.767 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.062 -2.485 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.302 -4.195 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.832 -5.208 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.798 -5.634 -1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.590 -4.931 -3.394 1.00 0.00 H new ATOM 1693 N CYS A 109 -3.401 -0.743 -1.236 1.00 0.00 N ATOM 1694 CA CYS A 109 -3.115 0.528 -0.606 1.00 0.00 C ATOM 1695 C CYS A 109 -4.137 0.916 0.451 1.00 0.00 C ATOM 1696 O CYS A 109 -3.751 1.437 1.494 1.00 0.00 O ATOM 1697 CB CYS A 109 -3.070 1.621 -1.652 1.00 0.00 C ATOM 1698 SG CYS A 109 -1.682 1.661 -2.788 1.00 0.00 S ATOM 0 H CYS A 109 -3.640 -0.675 -2.225 1.00 0.00 H new ATOM 0 HA CYS A 109 -2.151 0.414 -0.111 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -3.982 1.550 -2.245 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -3.101 2.579 -1.132 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.621 1.204 -2.192 1.00 0.00 H new ATOM 1704 N LEU A 110 -5.422 0.674 0.195 1.00 0.00 N ATOM 1705 CA LEU A 110 -6.453 0.961 1.183 1.00 0.00 C ATOM 1706 C LEU A 110 -6.280 0.032 2.375 1.00 0.00 C ATOM 1707 O LEU A 110 -6.563 0.439 3.503 1.00 0.00 O ATOM 1708 CB LEU A 110 -7.861 0.814 0.580 1.00 0.00 C ATOM 1709 CG LEU A 110 -8.295 1.872 -0.452 1.00 0.00 C ATOM 1710 CD1 LEU A 110 -9.621 1.464 -1.076 1.00 0.00 C ATOM 1711 CD2 LEU A 110 -8.453 3.219 0.241 1.00 0.00 C ATOM 0 H LEU A 110 -5.769 0.283 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.346 1.995 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.926 -0.166 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.582 0.823 1.397 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.538 1.949 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.926 2.214 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.508 0.500 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.380 1.385 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.760 3.969 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.210 3.140 1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.502 3.513 0.686 1.00 0.00 H new ATOM 1723 N SER A 111 -5.846 -1.209 2.128 1.00 0.00 N ATOM 1724 CA SER A 111 -5.565 -2.133 3.214 1.00 0.00 C ATOM 1725 C SER A 111 -4.412 -1.593 4.068 1.00 0.00 C ATOM 1726 O SER A 111 -4.487 -1.675 5.297 1.00 0.00 O ATOM 1727 CB SER A 111 -5.237 -3.502 2.662 1.00 0.00 C ATOM 1728 OG SER A 111 -6.340 -4.062 2.000 1.00 0.00 O ATOM 0 H SER A 111 -5.685 -1.587 1.194 1.00 0.00 H new ATOM 0 HA SER A 111 -6.448 -2.227 3.846 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.396 -3.427 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.925 -4.159 3.474 1.00 0.00 H new ATOM 0 HG SER A 111 -6.411 -3.678 1.101 1.00 0.00 H new ATOM 1734 N ILE A 112 -3.374 -1.044 3.427 1.00 0.00 N ATOM 1735 CA ILE A 112 -2.253 -0.403 4.115 1.00 0.00 C ATOM 1736 C ILE A 112 -2.753 0.789 4.922 1.00 0.00 C ATOM 1737 O ILE A 112 -2.260 1.031 6.021 1.00 0.00 O ATOM 1738 CB ILE A 112 -1.152 0.023 3.134 1.00 0.00 C ATOM 1739 CG1 ILE A 112 -0.492 -1.230 2.557 1.00 0.00 C ATOM 1740 CG2 ILE A 112 -0.129 0.899 3.847 1.00 0.00 C ATOM 1741 CD1 ILE A 112 0.393 -0.959 1.371 1.00 0.00 C ATOM 0 H ILE A 112 -3.290 -1.033 2.411 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.811 -1.132 4.795 1.00 0.00 H new ATOM 0 HB ILE A 112 -1.582 0.606 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 112 0.099 -1.710 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.269 -1.937 2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 112 0.649 1.197 3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -0.622 1.788 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.319 0.340 4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.825 -1.895 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -0.196 -0.508 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.192 -0.277 1.662 1.00 0.00 H new ATOM 1753 N ILE A 113 -3.674 1.571 4.367 1.00 0.00 N ATOM 1754 CA ILE A 113 -4.271 2.654 5.132 1.00 0.00 C ATOM 1755 C ILE A 113 -4.981 2.123 6.372 1.00 0.00 C ATOM 1756 O ILE A 113 -4.872 2.756 7.423 1.00 0.00 O ATOM 1757 CB ILE A 113 -5.249 3.499 4.299 1.00 0.00 C ATOM 1758 CG1 ILE A 113 -4.465 4.282 3.248 1.00 0.00 C ATOM 1759 CG2 ILE A 113 -6.032 4.428 5.212 1.00 0.00 C ATOM 1760 CD1 ILE A 113 -5.317 4.943 2.196 1.00 0.00 C ATOM 0 H ILE A 113 -4.016 1.477 3.411 1.00 0.00 H new ATOM 0 HA ILE A 113 -3.448 3.301 5.435 1.00 0.00 H new ATOM 0 HB ILE A 113 -5.963 2.853 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.872 5.046 3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -3.764 3.606 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -6.724 5.025 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.593 3.838 5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.342 5.088 5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -4.678 5.476 1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -5.890 4.185 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.000 5.647 2.671 1.00 0.00 H new ATOM 1772 N SER A 114 -5.729 1.015 6.269 1.00 0.00 N ATOM 1773 CA SER A 114 -6.374 0.492 7.473 1.00 0.00 C ATOM 1774 C SER A 114 -5.339 -0.019 8.476 1.00 0.00 C ATOM 1775 O SER A 114 -5.606 0.005 9.677 1.00 0.00 O ATOM 1776 CB SER A 114 -7.326 -0.644 7.157 1.00 0.00 C ATOM 1777 OG SER A 114 -6.637 -1.805 6.786 1.00 0.00 O ATOM 0 H SER A 114 -5.895 0.489 5.411 1.00 0.00 H new ATOM 0 HA SER A 114 -6.934 1.323 7.903 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.948 -0.852 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.996 -0.345 6.351 1.00 0.00 H new ATOM 0 HG SER A 114 -5.865 -1.564 6.233 1.00 0.00 H new ATOM 1783 N MET A 115 -4.179 -0.483 7.997 1.00 0.00 N ATOM 1784 CA MET A 115 -3.062 -0.860 8.859 1.00 0.00 C ATOM 1785 C MET A 115 -2.625 0.345 9.671 1.00 0.00 C ATOM 1786 O MET A 115 -2.467 0.263 10.890 1.00 0.00 O ATOM 1787 CB MET A 115 -1.859 -1.365 8.064 1.00 0.00 C ATOM 1788 CG MET A 115 -0.655 -1.695 8.923 1.00 0.00 C ATOM 1789 SD MET A 115 0.823 -1.981 7.940 1.00 0.00 S ATOM 1790 CE MET A 115 1.140 -0.295 7.428 1.00 0.00 C ATOM 0 H MET A 115 -3.992 -0.606 7.002 1.00 0.00 H new ATOM 0 HA MET A 115 -3.410 -1.668 9.503 1.00 0.00 H new ATOM 0 HB2 MET A 115 -2.151 -2.255 7.506 1.00 0.00 H new ATOM 0 HB3 MET A 115 -1.575 -0.609 7.332 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.473 -0.877 9.620 1.00 0.00 H new ATOM 0 HG3 MET A 115 -0.869 -2.581 9.520 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.021 -0.269 6.786 1.00 0.00 H new ATOM 0 HE2 MET A 115 0.279 0.086 6.879 1.00 0.00 H new ATOM 0 HE3 MET A 115 1.313 0.326 8.307 1.00 0.00 H new ATOM 1800 N LEU A 116 -2.418 1.456 8.969 1.00 0.00 N ATOM 1801 CA LEU A 116 -2.019 2.714 9.572 1.00 0.00 C ATOM 1802 C LEU A 116 -3.071 3.225 10.555 1.00 0.00 C ATOM 1803 O LEU A 116 -2.719 3.738 11.616 1.00 0.00 O ATOM 1804 CB LEU A 116 -1.774 3.736 8.452 1.00 0.00 C ATOM 1805 CG LEU A 116 -0.545 3.468 7.568 1.00 0.00 C ATOM 1806 CD1 LEU A 116 -0.573 4.410 6.370 1.00 0.00 C ATOM 1807 CD2 LEU A 116 0.712 3.678 8.405 1.00 0.00 C ATOM 0 H LEU A 116 -2.525 1.503 7.956 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.103 2.563 10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.658 3.769 7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.668 4.723 8.902 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.552 2.444 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.297 4.224 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.482 4.238 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.554 5.443 6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.593 3.491 7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.737 4.704 8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.706 2.989 9.250 1.00 0.00 H new ATOM 1819 N SER A 117 -4.360 3.082 10.234 1.00 0.00 N ATOM 1820 CA SER A 117 -5.394 3.524 11.164 1.00 0.00 C ATOM 1821 C SER A 117 -5.577 2.579 12.352 1.00 0.00 C ATOM 1822 O SER A 117 -6.038 3.009 13.411 1.00 0.00 O ATOM 1823 CB SER A 117 -6.729 3.662 10.454 1.00 0.00 C ATOM 1824 OG SER A 117 -7.241 2.415 10.076 1.00 0.00 O ATOM 0 H SER A 117 -4.703 2.676 9.363 1.00 0.00 H new ATOM 0 HA SER A 117 -5.057 4.488 11.545 1.00 0.00 H new ATOM 0 HB2 SER A 117 -7.440 4.165 11.109 1.00 0.00 H new ATOM 0 HB3 SER A 117 -6.609 4.290 9.571 1.00 0.00 H new ATOM 0 HG SER A 117 -6.510 1.765 10.020 1.00 0.00 H new ATOM 1830 N SER A 118 -5.223 1.303 12.192 1.00 0.00 N ATOM 1831 CA SER A 118 -5.324 0.338 13.280 1.00 0.00 C ATOM 1832 C SER A 118 -3.957 -0.065 13.823 1.00 0.00 C ATOM 1833 O SER A 118 -3.506 -1.197 13.638 1.00 0.00 O ATOM 1834 CB SER A 118 -6.064 -0.897 12.807 1.00 0.00 C ATOM 1835 OG SER A 118 -6.174 -1.844 13.834 1.00 0.00 O ATOM 0 H SER A 118 -4.864 0.917 11.319 1.00 0.00 H new ATOM 0 HA SER A 118 -5.874 0.819 14.089 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.058 -0.618 12.458 1.00 0.00 H new ATOM 0 HB3 SER A 118 -5.540 -1.336 11.958 1.00 0.00 H new ATOM 0 HG SER A 118 -6.657 -2.630 13.504 1.00 0.00 H new