USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 839 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 40 LYS NZ :NH3+ -175:sc= 0.82 (180deg=0.234) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -0.755 K(o=0.065,f=-1.3) USER MOD Set 2.1: A 91 THR OG1 : rot -74:sc= -0.255 USER MOD Set 2.2: A 93 GLN : amide:sc= -3.01 K(o=-3.3,f=-6!) USER MOD Single : A 1 GLU N :NH3+ 148:sc= -0.101 (180deg=-0.555) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0834 K(o=-0.083,f=-1.1) USER MOD Single : A 10 HIS : no HD1:sc=-0.00538 X(o=-0.0054,f=-0.13) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 16:sc= -2.44 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0405 USER MOD Single : A 24 SER OG : rot 140:sc= -1.28 USER MOD Single : A 26 ASN : amide:sc= -1.55 K(o=-1.6,f=-3.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc=-0.00529 X(o=-0.0053,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0.045) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 112:sc= 1.18 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 154:sc= 0.3 (180deg=0.0961) USER MOD Single : A 71 ASN : amide:sc= -0.344 K(o=-0.34,f=-3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.896 X(o=-0.9,f=-1.2) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -36:sc= 0.478 USER MOD Single : A 96 SER OG : rot 75:sc= -0.419 USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= -1.25 (180deg=-1.26) USER MOD Single : A 104 HIS : no HE2:sc= -2.07! C(o=-2.1!,f=-6.1!) USER MOD Single : A 106 ASN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -30.559 14.424 1.527 1.00 0.00 N ATOM 2 CA GLU A 1 -31.172 15.042 0.317 1.00 0.00 C ATOM 3 C GLU A 1 -30.124 15.887 -0.399 1.00 0.00 C ATOM 4 O GLU A 1 -29.342 16.599 0.233 1.00 0.00 O ATOM 5 CB GLU A 1 -32.362 15.931 0.687 1.00 0.00 C ATOM 6 CG GLU A 1 -31.932 16.943 1.751 1.00 0.00 C ATOM 7 CD GLU A 1 -33.101 17.865 2.078 1.00 0.00 C ATOM 8 OE1 GLU A 1 -34.176 17.354 2.347 1.00 0.00 O ATOM 9 OE2 GLU A 1 -32.905 19.069 2.055 1.00 0.00 O ATOM 0 H1 GLU A 1 -31.280 14.325 2.270 1.00 0.00 H new ATOM 0 H2 GLU A 1 -30.181 13.486 1.284 1.00 0.00 H new ATOM 0 H3 GLU A 1 -29.787 15.029 1.873 1.00 0.00 H new ATOM 0 HA GLU A 1 -31.529 14.242 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -32.730 16.451 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -33.183 15.320 1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -31.603 16.423 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -31.084 17.526 1.392 1.00 0.00 H new ATOM 18 N THR A 2 -30.117 15.800 -1.727 1.00 0.00 N ATOM 19 CA THR A 2 -29.160 16.560 -2.529 1.00 0.00 C ATOM 20 C THR A 2 -27.724 16.168 -2.167 1.00 0.00 C ATOM 21 O THR A 2 -27.073 16.840 -1.366 1.00 0.00 O ATOM 22 CB THR A 2 -29.340 18.064 -2.299 1.00 0.00 C ATOM 23 OG1 THR A 2 -30.709 18.406 -2.475 1.00 0.00 O ATOM 24 CG2 THR A 2 -28.485 18.842 -3.300 1.00 0.00 C ATOM 0 H THR A 2 -30.756 15.217 -2.267 1.00 0.00 H new ATOM 0 HA THR A 2 -29.345 16.329 -3.578 1.00 0.00 H new ATOM 0 HB THR A 2 -29.028 18.318 -1.286 1.00 0.00 H new ATOM 0 HG1 THR A 2 -30.828 19.367 -2.327 1.00 0.00 H new ATOM 0 HG21 THR A 2 -28.614 19.912 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 2 -27.436 18.578 -3.165 1.00 0.00 H new ATOM 0 HG23 THR A 2 -28.794 18.592 -4.315 1.00 0.00 H new ATOM 32 N PRO A 3 -27.215 15.074 -2.749 1.00 0.00 N ATOM 33 CA PRO A 3 -25.848 14.603 -2.475 1.00 0.00 C ATOM 34 C PRO A 3 -24.788 15.497 -3.116 1.00 0.00 C ATOM 35 O PRO A 3 -25.072 16.253 -4.044 1.00 0.00 O ATOM 36 CB PRO A 3 -25.810 13.206 -3.091 1.00 0.00 C ATOM 37 CG PRO A 3 -26.854 13.221 -4.154 1.00 0.00 C ATOM 38 CD PRO A 3 -27.906 14.199 -3.716 1.00 0.00 C ATOM 0 HA PRO A 3 -25.626 14.613 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -24.827 12.985 -3.507 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -26.019 12.440 -2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -26.426 13.517 -5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -27.282 12.228 -4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -28.295 14.769 -4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -28.754 13.691 -3.257 1.00 0.00 H new ATOM 46 N ARG A 4 -23.563 15.397 -2.609 1.00 0.00 N ATOM 47 CA ARG A 4 -22.463 16.200 -3.136 1.00 0.00 C ATOM 48 C ARG A 4 -22.079 15.721 -4.533 1.00 0.00 C ATOM 49 O ARG A 4 -21.860 14.531 -4.759 1.00 0.00 O ATOM 50 CB ARG A 4 -21.241 16.100 -2.222 1.00 0.00 C ATOM 51 CG ARG A 4 -20.458 17.414 -2.271 1.00 0.00 C ATOM 52 CD ARG A 4 -20.974 18.358 -1.184 1.00 0.00 C ATOM 53 NE ARG A 4 -20.487 19.716 -1.408 1.00 0.00 N ATOM 54 CZ ARG A 4 -21.002 20.747 -0.744 1.00 0.00 C ATOM 55 NH1 ARG A 4 -20.932 20.785 0.558 1.00 0.00 N ATOM 56 NH2 ARG A 4 -21.578 21.721 -1.394 1.00 0.00 N ATOM 0 H ARG A 4 -23.308 14.775 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 4 -22.795 17.237 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -21.555 15.889 -1.200 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -20.605 15.273 -2.537 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -19.395 17.222 -2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -20.567 17.878 -3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -22.064 18.353 -1.178 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -20.649 18.006 -0.205 1.00 0.00 H new ATOM 0 HE ARG A 4 -19.740 19.877 -2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -20.482 20.024 1.067 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -21.327 21.576 1.067 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -21.634 21.692 -2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -21.973 22.511 -0.884 1.00 0.00 H new ATOM 70 N GLU A 5 -22.001 16.665 -5.467 1.00 0.00 N ATOM 71 CA GLU A 5 -21.643 16.333 -6.843 1.00 0.00 C ATOM 72 C GLU A 5 -20.129 16.371 -7.023 1.00 0.00 C ATOM 73 O GLU A 5 -19.501 17.422 -6.901 1.00 0.00 O ATOM 74 CB GLU A 5 -22.286 17.321 -7.817 1.00 0.00 C ATOM 75 CG GLU A 5 -22.292 16.720 -9.225 1.00 0.00 C ATOM 76 CD GLU A 5 -23.231 17.524 -10.118 1.00 0.00 C ATOM 77 OE1 GLU A 5 -23.073 18.732 -10.174 1.00 0.00 O ATOM 78 OE2 GLU A 5 -24.095 16.920 -10.732 1.00 0.00 O ATOM 0 H GLU A 5 -22.179 17.655 -5.299 1.00 0.00 H new ATOM 0 HA GLU A 5 -22.009 15.328 -7.053 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -23.305 17.547 -7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.735 18.262 -7.814 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -21.284 16.728 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.613 15.679 -9.186 1.00 0.00 H new ATOM 85 N LYS A 6 -19.550 15.210 -7.316 1.00 0.00 N ATOM 86 CA LYS A 6 -18.105 15.116 -7.513 1.00 0.00 C ATOM 87 C LYS A 6 -17.667 15.991 -8.684 1.00 0.00 C ATOM 88 O LYS A 6 -18.494 16.546 -9.407 1.00 0.00 O ATOM 89 CB LYS A 6 -17.693 13.666 -7.787 1.00 0.00 C ATOM 90 CG LYS A 6 -18.468 13.127 -8.994 1.00 0.00 C ATOM 91 CD LYS A 6 -18.798 11.649 -8.773 1.00 0.00 C ATOM 92 CE LYS A 6 -17.707 10.782 -9.403 1.00 0.00 C ATOM 93 NZ LYS A 6 -18.020 10.460 -10.824 1.00 0.00 N ATOM 0 H LYS A 6 -20.052 14.329 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.619 15.463 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.621 13.612 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.892 13.050 -6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.386 13.698 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.876 13.246 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.874 11.438 -7.706 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.766 11.412 -9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -16.751 11.302 -9.349 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.601 9.858 -8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -17.261 9.871 -11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.921 9.943 -10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.097 11.341 -11.371 1.00 0.00 H new ATOM 107 N LEU A 7 -16.354 16.107 -8.862 1.00 0.00 N ATOM 108 CA LEU A 7 -15.810 16.917 -9.948 1.00 0.00 C ATOM 109 C LEU A 7 -14.983 16.049 -10.896 1.00 0.00 C ATOM 110 O LEU A 7 -13.835 16.364 -11.219 1.00 0.00 O ATOM 111 CB LEU A 7 -14.933 18.039 -9.387 1.00 0.00 C ATOM 112 CG LEU A 7 -15.680 19.304 -8.957 1.00 0.00 C ATOM 113 CD1 LEU A 7 -16.345 19.945 -10.176 1.00 0.00 C ATOM 114 CD2 LEU A 7 -16.752 18.935 -7.929 1.00 0.00 C ATOM 0 H LEU A 7 -15.653 15.655 -8.275 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.643 17.355 -10.499 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.383 17.653 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.195 18.312 -10.141 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.976 20.009 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -16.877 20.846 -9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.583 20.206 -10.911 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.050 19.241 -10.618 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.286 19.834 -7.621 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.455 18.230 -8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -16.280 18.477 -7.060 1.00 0.00 H new ATOM 126 N LYS A 8 -15.582 14.947 -11.341 1.00 0.00 N ATOM 127 CA LYS A 8 -14.902 14.031 -12.255 1.00 0.00 C ATOM 128 C LYS A 8 -13.642 13.466 -11.606 1.00 0.00 C ATOM 129 O LYS A 8 -13.123 14.020 -10.637 1.00 0.00 O ATOM 130 CB LYS A 8 -14.516 14.750 -13.550 1.00 0.00 C ATOM 131 CG LYS A 8 -15.753 15.419 -14.150 1.00 0.00 C ATOM 132 CD LYS A 8 -15.319 16.476 -15.168 1.00 0.00 C ATOM 133 CE LYS A 8 -15.268 15.852 -16.564 1.00 0.00 C ATOM 134 NZ LYS A 8 -15.517 16.869 -17.624 1.00 0.00 N ATOM 0 H LYS A 8 -16.529 14.667 -11.086 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.589 13.217 -12.484 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.747 15.496 -13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.093 14.040 -14.260 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.385 14.673 -14.632 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.348 15.881 -13.362 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.017 17.313 -15.158 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.340 16.873 -14.900 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.293 15.390 -16.722 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.012 15.059 -16.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.476 16.414 -18.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.457 17.291 -17.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.792 17.613 -17.569 1.00 0.00 H new ATOM 148 N GLN A 9 -13.157 12.353 -12.152 1.00 0.00 N ATOM 149 CA GLN A 9 -11.955 11.712 -11.623 1.00 0.00 C ATOM 150 C GLN A 9 -12.168 11.292 -10.172 1.00 0.00 C ATOM 151 O GLN A 9 -12.019 12.094 -9.250 1.00 0.00 O ATOM 152 CB GLN A 9 -10.759 12.665 -11.695 1.00 0.00 C ATOM 153 CG GLN A 9 -9.463 11.855 -11.749 1.00 0.00 C ATOM 154 CD GLN A 9 -8.283 12.759 -11.411 1.00 0.00 C ATOM 155 OE1 GLN A 9 -8.372 13.598 -10.514 1.00 0.00 O ATOM 156 NE2 GLN A 9 -7.170 12.638 -12.083 1.00 0.00 N ATOM 0 H GLN A 9 -13.573 11.879 -12.954 1.00 0.00 H new ATOM 0 HA GLN A 9 -11.752 10.830 -12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.840 13.301 -12.577 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.753 13.324 -10.827 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.511 11.024 -11.045 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.332 11.424 -12.742 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.096 11.943 -12.826 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.375 13.238 -11.865 1.00 0.00 H new ATOM 165 N HIS A 10 -12.520 10.024 -9.980 1.00 0.00 N ATOM 166 CA HIS A 10 -12.753 9.505 -8.635 1.00 0.00 C ATOM 167 C HIS A 10 -12.826 7.981 -8.653 1.00 0.00 C ATOM 168 O HIS A 10 -13.663 7.392 -9.337 1.00 0.00 O ATOM 169 CB HIS A 10 -14.063 10.057 -8.070 1.00 0.00 C ATOM 170 CG HIS A 10 -14.099 9.836 -6.583 1.00 0.00 C ATOM 171 ND1 HIS A 10 -13.201 10.449 -5.723 1.00 0.00 N ATOM 172 CD2 HIS A 10 -14.919 9.073 -5.787 1.00 0.00 C ATOM 173 CE1 HIS A 10 -13.499 10.048 -4.473 1.00 0.00 C ATOM 174 NE2 HIS A 10 -14.537 9.208 -4.456 1.00 0.00 N ATOM 0 H HIS A 10 -12.649 9.343 -10.729 1.00 0.00 H new ATOM 0 HA HIS A 10 -11.921 9.821 -8.005 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -14.148 11.121 -8.293 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -14.912 9.563 -8.543 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -15.736 8.461 -6.141 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.964 10.367 -3.591 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -14.959 8.761 -3.642 1.00 0.00 H new ATOM 182 N SER A 11 -11.940 7.350 -7.887 1.00 0.00 N ATOM 183 CA SER A 11 -11.912 5.892 -7.814 1.00 0.00 C ATOM 184 C SER A 11 -13.033 5.391 -6.904 1.00 0.00 C ATOM 185 O SER A 11 -12.790 4.899 -5.800 1.00 0.00 O ATOM 186 CB SER A 11 -10.564 5.409 -7.277 1.00 0.00 C ATOM 187 OG SER A 11 -9.518 5.977 -8.054 1.00 0.00 O ATOM 0 H SER A 11 -11.239 7.819 -7.314 1.00 0.00 H new ATOM 0 HA SER A 11 -12.056 5.494 -8.819 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.452 5.695 -6.231 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.512 4.321 -7.317 1.00 0.00 H new ATOM 0 HG SER A 11 -8.653 5.671 -7.711 1.00 0.00 H new ATOM 193 N ASP A 12 -14.268 5.530 -7.379 1.00 0.00 N ATOM 194 CA ASP A 12 -15.430 5.100 -6.604 1.00 0.00 C ATOM 195 C ASP A 12 -15.400 3.591 -6.372 1.00 0.00 C ATOM 196 O ASP A 12 -16.017 2.822 -7.107 1.00 0.00 O ATOM 197 CB ASP A 12 -16.725 5.464 -7.334 1.00 0.00 C ATOM 198 CG ASP A 12 -16.679 4.923 -8.760 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.028 5.541 -9.586 1.00 0.00 O ATOM 200 OD2 ASP A 12 -17.294 3.897 -9.004 1.00 0.00 O ATOM 0 H ASP A 12 -14.490 5.934 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.395 5.613 -5.643 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.582 5.048 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.854 6.546 -7.349 1.00 0.00 H new ATOM 205 N ALA A 13 -14.674 3.180 -5.332 1.00 0.00 N ATOM 206 CA ALA A 13 -14.560 1.759 -4.989 1.00 0.00 C ATOM 207 C ALA A 13 -13.538 1.573 -3.875 1.00 0.00 C ATOM 208 O ALA A 13 -13.755 0.808 -2.935 1.00 0.00 O ATOM 209 CB ALA A 13 -14.121 0.931 -6.201 1.00 0.00 C ATOM 0 H ALA A 13 -14.158 3.806 -4.714 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.542 1.417 -4.661 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.045 -0.118 -5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.855 1.038 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.150 1.283 -6.550 1.00 0.00 H new ATOM 215 N CYS A 14 -12.420 2.282 -3.993 1.00 0.00 N ATOM 216 CA CYS A 14 -11.365 2.190 -2.990 1.00 0.00 C ATOM 217 C CYS A 14 -11.736 2.956 -1.715 1.00 0.00 C ATOM 218 O CYS A 14 -11.082 2.808 -0.685 1.00 0.00 O ATOM 219 CB CYS A 14 -10.050 2.742 -3.546 1.00 0.00 C ATOM 220 SG CYS A 14 -9.082 1.386 -4.256 1.00 0.00 S ATOM 0 H CYS A 14 -12.222 2.920 -4.764 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.244 1.136 -2.740 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.252 3.497 -4.306 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.484 3.232 -2.753 1.00 0.00 H new ATOM 225 N LYS A 15 -12.790 3.772 -1.783 1.00 0.00 N ATOM 226 CA LYS A 15 -13.219 4.537 -0.614 1.00 0.00 C ATOM 227 C LYS A 15 -13.928 3.629 0.393 1.00 0.00 C ATOM 228 O LYS A 15 -13.959 3.916 1.590 1.00 0.00 O ATOM 229 CB LYS A 15 -14.174 5.658 -1.028 1.00 0.00 C ATOM 230 CG LYS A 15 -14.319 6.657 0.124 1.00 0.00 C ATOM 231 CD LYS A 15 -13.334 7.811 -0.074 1.00 0.00 C ATOM 232 CE LYS A 15 -12.046 7.523 0.699 1.00 0.00 C ATOM 233 NZ LYS A 15 -11.203 8.746 0.826 1.00 0.00 N ATOM 0 H LYS A 15 -13.353 3.918 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.330 4.967 -0.152 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.795 6.163 -1.916 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.148 5.243 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.339 7.038 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.128 6.161 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.114 7.937 -1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.777 8.745 0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.292 7.144 1.691 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.482 6.741 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.337 8.517 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.949 9.092 -0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.734 9.483 1.333 1.00 0.00 H new ATOM 247 N ALA A 16 -14.500 2.531 -0.105 1.00 0.00 N ATOM 248 CA ALA A 16 -15.212 1.586 0.756 1.00 0.00 C ATOM 249 C ALA A 16 -14.320 1.090 1.900 1.00 0.00 C ATOM 250 O ALA A 16 -14.813 0.680 2.950 1.00 0.00 O ATOM 251 CB ALA A 16 -15.688 0.384 -0.064 1.00 0.00 C ATOM 0 H ALA A 16 -14.484 2.276 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.068 2.109 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.217 -0.313 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.359 0.724 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.828 -0.116 -0.510 1.00 0.00 H new ATOM 257 N GLU A 17 -13.005 1.134 1.688 1.00 0.00 N ATOM 258 CA GLU A 17 -12.063 0.685 2.714 1.00 0.00 C ATOM 259 C GLU A 17 -10.747 1.449 2.598 1.00 0.00 C ATOM 260 O GLU A 17 -10.213 1.950 3.587 1.00 0.00 O ATOM 261 CB GLU A 17 -11.785 -0.814 2.567 1.00 0.00 C ATOM 262 CG GLU A 17 -10.903 -1.297 3.725 1.00 0.00 C ATOM 263 CD GLU A 17 -11.164 -2.778 3.980 1.00 0.00 C ATOM 264 OE1 GLU A 17 -12.257 -3.101 4.414 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.267 -3.567 3.736 1.00 0.00 O ATOM 0 H GLU A 17 -12.572 1.471 0.828 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.510 0.876 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.724 -1.368 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.290 -1.009 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.851 -1.138 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.116 -0.719 4.624 1.00 0.00 H new ATOM 272 N SER A 18 -10.229 1.522 1.378 1.00 0.00 N ATOM 273 CA SER A 18 -8.971 2.218 1.135 1.00 0.00 C ATOM 274 C SER A 18 -9.153 3.725 1.275 1.00 0.00 C ATOM 275 O SER A 18 -9.089 4.475 0.299 1.00 0.00 O ATOM 276 CB SER A 18 -8.436 1.898 -0.261 1.00 0.00 C ATOM 277 OG SER A 18 -7.019 1.965 -0.243 1.00 0.00 O ATOM 0 H SER A 18 -10.656 1.112 0.548 1.00 0.00 H new ATOM 0 HA SER A 18 -8.252 1.875 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.761 0.904 -0.569 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.836 2.605 -0.988 1.00 0.00 H new ATOM 0 HG SER A 18 -6.703 1.952 0.684 1.00 0.00 H new ATOM 283 N GLY A 19 -9.373 4.161 2.509 1.00 0.00 N ATOM 284 CA GLY A 19 -9.553 5.580 2.789 1.00 0.00 C ATOM 285 C GLY A 19 -8.245 6.200 3.279 1.00 0.00 C ATOM 286 O GLY A 19 -8.247 7.127 4.089 1.00 0.00 O ATOM 0 H GLY A 19 -9.431 3.556 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.891 6.094 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.329 5.712 3.542 1.00 0.00 H new ATOM 290 N VAL A 20 -7.130 5.672 2.777 1.00 0.00 N ATOM 291 CA VAL A 20 -5.813 6.169 3.162 1.00 0.00 C ATOM 292 C VAL A 20 -5.675 7.652 2.810 1.00 0.00 C ATOM 293 O VAL A 20 -5.751 8.038 1.643 1.00 0.00 O ATOM 294 CB VAL A 20 -4.718 5.351 2.455 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.816 5.539 0.935 1.00 0.00 C ATOM 296 CG2 VAL A 20 -3.336 5.799 2.943 1.00 0.00 C ATOM 0 H VAL A 20 -7.113 4.904 2.106 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.699 6.059 4.240 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.859 4.296 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.036 4.956 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.793 5.202 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.688 6.593 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.565 5.216 2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.196 6.856 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.262 5.644 4.019 1.00 0.00 H new ATOM 306 N SER A 21 -5.476 8.477 3.835 1.00 0.00 N ATOM 307 CA SER A 21 -5.335 9.916 3.628 1.00 0.00 C ATOM 308 C SER A 21 -3.864 10.288 3.427 1.00 0.00 C ATOM 309 O SER A 21 -3.328 11.171 4.099 1.00 0.00 O ATOM 310 CB SER A 21 -5.895 10.683 4.828 1.00 0.00 C ATOM 311 OG SER A 21 -5.583 9.979 6.023 1.00 0.00 O ATOM 0 H SER A 21 -5.409 8.178 4.808 1.00 0.00 H new ATOM 0 HA SER A 21 -5.896 10.187 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.471 11.687 4.862 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.975 10.796 4.730 1.00 0.00 H new ATOM 0 HG SER A 21 -5.939 10.469 6.794 1.00 0.00 H new ATOM 317 N GLU A 22 -3.217 9.603 2.487 1.00 0.00 N ATOM 318 CA GLU A 22 -1.809 9.867 2.195 1.00 0.00 C ATOM 319 C GLU A 22 -0.949 9.642 3.436 1.00 0.00 C ATOM 320 O GLU A 22 0.079 10.294 3.621 1.00 0.00 O ATOM 321 CB GLU A 22 -1.622 11.307 1.714 1.00 0.00 C ATOM 322 CG GLU A 22 -1.962 11.395 0.225 1.00 0.00 C ATOM 323 CD GLU A 22 -0.707 11.132 -0.601 1.00 0.00 C ATOM 324 OE1 GLU A 22 -0.012 10.176 -0.298 1.00 0.00 O ATOM 325 OE2 GLU A 22 -0.459 11.890 -1.523 1.00 0.00 O ATOM 0 H GLU A 22 -3.639 8.868 1.919 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.497 9.178 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.263 11.979 2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.594 11.628 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.734 10.668 -0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.364 12.381 -0.009 1.00 0.00 H new ATOM 332 N GLU A 23 -1.379 8.711 4.284 1.00 0.00 N ATOM 333 CA GLU A 23 -0.638 8.408 5.504 1.00 0.00 C ATOM 334 C GLU A 23 0.544 7.498 5.194 1.00 0.00 C ATOM 335 O GLU A 23 1.702 7.880 5.360 1.00 0.00 O ATOM 336 CB GLU A 23 -1.545 7.718 6.525 1.00 0.00 C ATOM 337 CG GLU A 23 -0.943 7.864 7.925 1.00 0.00 C ATOM 338 CD GLU A 23 -1.665 6.930 8.889 1.00 0.00 C ATOM 339 OE1 GLU A 23 -2.865 7.086 9.047 1.00 0.00 O ATOM 340 OE2 GLU A 23 -1.008 6.072 9.456 1.00 0.00 O ATOM 0 H GLU A 23 -2.227 8.159 4.151 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.275 9.348 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.541 8.159 6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.656 6.663 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.121 7.628 7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.033 8.896 8.265 1.00 0.00 H new ATOM 347 N SER A 24 0.238 6.285 4.739 1.00 0.00 N ATOM 348 CA SER A 24 1.283 5.324 4.404 1.00 0.00 C ATOM 349 C SER A 24 2.028 5.768 3.149 1.00 0.00 C ATOM 350 O SER A 24 3.235 5.562 3.021 1.00 0.00 O ATOM 351 CB SER A 24 0.680 3.940 4.162 1.00 0.00 C ATOM 352 OG SER A 24 -0.488 3.791 4.957 1.00 0.00 O ATOM 0 H SER A 24 -0.714 5.948 4.595 1.00 0.00 H new ATOM 0 HA SER A 24 1.978 5.274 5.242 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.434 3.817 3.107 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.405 3.166 4.412 1.00 0.00 H new ATOM 0 HG SER A 24 -1.179 3.326 4.440 1.00 0.00 H new ATOM 358 N LEU A 25 1.291 6.379 2.225 1.00 0.00 N ATOM 359 CA LEU A 25 1.888 6.852 0.979 1.00 0.00 C ATOM 360 C LEU A 25 2.957 7.902 1.264 1.00 0.00 C ATOM 361 O LEU A 25 3.960 7.994 0.558 1.00 0.00 O ATOM 362 CB LEU A 25 0.819 7.461 0.071 1.00 0.00 C ATOM 363 CG LEU A 25 -0.012 6.454 -0.728 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.121 7.191 -1.483 1.00 0.00 C ATOM 365 CD2 LEU A 25 0.890 5.731 -1.730 1.00 0.00 C ATOM 0 H LEU A 25 0.291 6.557 2.313 1.00 0.00 H new ATOM 0 HA LEU A 25 2.344 5.997 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.144 8.060 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.304 8.142 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.456 5.728 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.713 6.474 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.764 7.708 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.677 7.917 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.299 5.014 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.333 6.458 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.681 5.206 -1.195 1.00 0.00 H new ATOM 377 N ASN A 26 2.732 8.690 2.313 1.00 0.00 N ATOM 378 CA ASN A 26 3.685 9.730 2.688 1.00 0.00 C ATOM 379 C ASN A 26 5.020 9.103 3.079 1.00 0.00 C ATOM 380 O ASN A 26 6.087 9.645 2.791 1.00 0.00 O ATOM 381 CB ASN A 26 3.152 10.548 3.867 1.00 0.00 C ATOM 382 CG ASN A 26 2.384 11.757 3.342 1.00 0.00 C ATOM 383 OD1 ASN A 26 1.836 11.723 2.241 1.00 0.00 O ATOM 384 ND2 ASN A 26 2.312 12.835 4.073 1.00 0.00 N ATOM 0 H ASN A 26 1.908 8.629 2.912 1.00 0.00 H new ATOM 0 HA ASN A 26 3.826 10.387 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.501 9.931 4.486 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.978 10.875 4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.801 13.649 3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.766 12.863 4.986 1.00 0.00 H new ATOM 391 N LYS A 27 4.945 7.950 3.738 1.00 0.00 N ATOM 392 CA LYS A 27 6.151 7.247 4.167 1.00 0.00 C ATOM 393 C LYS A 27 6.867 6.635 2.964 1.00 0.00 C ATOM 394 O LYS A 27 8.092 6.511 2.951 1.00 0.00 O ATOM 395 CB LYS A 27 5.800 6.136 5.157 1.00 0.00 C ATOM 396 CG LYS A 27 5.675 6.725 6.564 1.00 0.00 C ATOM 397 CD LYS A 27 4.586 5.979 7.336 1.00 0.00 C ATOM 398 CE LYS A 27 3.956 6.918 8.366 1.00 0.00 C ATOM 399 NZ LYS A 27 4.720 6.913 9.646 1.00 0.00 N ATOM 0 H LYS A 27 4.071 7.486 3.985 1.00 0.00 H new ATOM 0 HA LYS A 27 6.807 7.969 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.864 5.659 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.570 5.364 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.627 6.645 7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.432 7.786 6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.824 5.613 6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.011 5.108 7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.922 7.931 7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.926 6.615 8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.267 7.560 10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.731 5.951 10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.696 7.225 9.469 1.00 0.00 H new ATOM 413 N VAL A 28 6.087 6.254 1.955 1.00 0.00 N ATOM 414 CA VAL A 28 6.656 5.656 0.748 1.00 0.00 C ATOM 415 C VAL A 28 7.607 6.637 0.060 1.00 0.00 C ATOM 416 O VAL A 28 8.553 6.233 -0.616 1.00 0.00 O ATOM 417 CB VAL A 28 5.544 5.257 -0.229 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.147 4.528 -1.435 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.555 4.325 0.476 1.00 0.00 C ATOM 0 H VAL A 28 5.071 6.347 1.947 1.00 0.00 H new ATOM 0 HA VAL A 28 7.211 4.766 1.043 1.00 0.00 H new ATOM 0 HB VAL A 28 5.029 6.156 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.352 4.247 -2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.852 5.186 -1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.666 3.632 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.764 4.041 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.077 3.431 0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.118 4.839 1.333 1.00 0.00 H new ATOM 429 N ARG A 29 7.347 7.934 0.239 1.00 0.00 N ATOM 430 CA ARG A 29 8.188 8.966 -0.371 1.00 0.00 C ATOM 431 C ARG A 29 9.646 8.795 0.054 1.00 0.00 C ATOM 432 O ARG A 29 10.568 9.109 -0.700 1.00 0.00 O ATOM 433 CB ARG A 29 7.710 10.358 0.043 1.00 0.00 C ATOM 434 CG ARG A 29 6.275 10.572 -0.443 1.00 0.00 C ATOM 435 CD ARG A 29 6.295 11.263 -1.807 1.00 0.00 C ATOM 436 NE ARG A 29 5.139 12.143 -1.956 1.00 0.00 N ATOM 437 CZ ARG A 29 4.530 12.282 -3.131 1.00 0.00 C ATOM 438 NH1 ARG A 29 5.002 13.117 -4.015 1.00 0.00 N ATOM 439 NH2 ARG A 29 3.461 11.583 -3.398 1.00 0.00 N ATOM 0 H ARG A 29 6.570 8.292 0.795 1.00 0.00 H new ATOM 0 HA ARG A 29 8.113 8.861 -1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.757 10.463 1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.365 11.120 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.758 9.615 -0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.723 11.178 0.275 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.214 11.840 -1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.293 10.515 -2.600 1.00 0.00 H new ATOM 0 HE ARG A 29 4.793 12.659 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.838 13.663 -3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.535 13.224 -4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.092 10.930 -2.706 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.994 11.689 -4.299 1.00 0.00 H new ATOM 453 N ASN A 30 9.840 8.288 1.267 1.00 0.00 N ATOM 454 CA ASN A 30 11.188 8.070 1.785 1.00 0.00 C ATOM 455 C ASN A 30 11.477 6.577 1.890 1.00 0.00 C ATOM 456 O ASN A 30 10.641 5.744 1.539 1.00 0.00 O ATOM 457 CB ASN A 30 11.340 8.707 3.168 1.00 0.00 C ATOM 458 CG ASN A 30 11.496 10.216 3.019 1.00 0.00 C ATOM 459 OD1 ASN A 30 10.529 10.920 2.727 1.00 0.00 O ATOM 460 ND2 ASN A 30 12.667 10.761 3.204 1.00 0.00 N ATOM 0 H ASN A 30 9.090 8.022 1.905 1.00 0.00 H new ATOM 0 HA ASN A 30 11.895 8.532 1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.469 8.480 3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.208 8.290 3.679 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.781 11.770 3.107 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.468 10.178 3.446 1.00 0.00 H new ATOM 467 N ARG A 31 12.670 6.247 2.375 1.00 0.00 N ATOM 468 CA ARG A 31 13.058 4.847 2.521 1.00 0.00 C ATOM 469 C ARG A 31 12.356 4.224 3.725 1.00 0.00 C ATOM 470 O ARG A 31 12.937 4.092 4.803 1.00 0.00 O ATOM 471 CB ARG A 31 14.573 4.725 2.703 1.00 0.00 C ATOM 472 CG ARG A 31 15.287 5.467 1.572 1.00 0.00 C ATOM 473 CD ARG A 31 16.695 4.897 1.394 1.00 0.00 C ATOM 474 NE ARG A 31 17.654 5.624 2.221 1.00 0.00 N ATOM 475 CZ ARG A 31 17.692 5.452 3.539 1.00 0.00 C ATOM 476 NH1 ARG A 31 18.455 4.526 4.054 1.00 0.00 N ATOM 477 NH2 ARG A 31 16.968 6.207 4.317 1.00 0.00 N ATOM 0 H ARG A 31 13.377 6.920 2.670 1.00 0.00 H new ATOM 0 HA ARG A 31 12.762 4.318 1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 31 14.868 5.140 3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.866 3.675 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.723 5.367 0.645 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.341 6.532 1.799 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.702 3.841 1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.989 4.961 0.346 1.00 0.00 H new ATOM 0 HE ARG A 31 18.305 6.274 1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.021 3.935 3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.485 4.394 5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 31 16.372 6.930 3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.998 6.074 5.328 1.00 0.00 H new ATOM 491 N GLU A 32 11.097 3.842 3.526 1.00 0.00 N ATOM 492 CA GLU A 32 10.318 3.232 4.601 1.00 0.00 C ATOM 493 C GLU A 32 9.740 1.896 4.144 1.00 0.00 C ATOM 494 O GLU A 32 9.853 0.887 4.839 1.00 0.00 O ATOM 495 CB GLU A 32 9.169 4.154 5.019 1.00 0.00 C ATOM 496 CG GLU A 32 9.723 5.313 5.851 1.00 0.00 C ATOM 497 CD GLU A 32 9.656 4.953 7.332 1.00 0.00 C ATOM 498 OE1 GLU A 32 8.556 4.892 7.857 1.00 0.00 O ATOM 499 OE2 GLU A 32 10.705 4.745 7.919 1.00 0.00 O ATOM 0 H GLU A 32 10.599 3.942 2.642 1.00 0.00 H new ATOM 0 HA GLU A 32 10.982 3.072 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 32 8.657 4.538 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.433 3.596 5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.753 5.522 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 32 9.149 6.219 5.660 1.00 0.00 H new ATOM 506 N GLU A 33 9.121 1.906 2.962 1.00 0.00 N ATOM 507 CA GLU A 33 8.519 0.694 2.394 1.00 0.00 C ATOM 508 C GLU A 33 7.289 0.272 3.195 1.00 0.00 C ATOM 509 O GLU A 33 6.167 0.312 2.693 1.00 0.00 O ATOM 510 CB GLU A 33 9.523 -0.467 2.369 1.00 0.00 C ATOM 511 CG GLU A 33 10.831 0.000 1.727 1.00 0.00 C ATOM 512 CD GLU A 33 11.922 -1.034 1.983 1.00 0.00 C ATOM 513 OE1 GLU A 33 11.610 -2.214 1.959 1.00 0.00 O ATOM 514 OE2 GLU A 33 13.053 -0.633 2.201 1.00 0.00 O ATOM 0 H GLU A 33 9.022 2.737 2.379 1.00 0.00 H new ATOM 0 HA GLU A 33 8.223 0.930 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.710 -0.822 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.110 -1.306 1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.692 0.140 0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.126 0.965 2.139 1.00 0.00 H new ATOM 521 N VAL A 34 7.521 -0.143 4.446 1.00 0.00 N ATOM 522 CA VAL A 34 6.440 -0.586 5.342 1.00 0.00 C ATOM 523 C VAL A 34 5.454 -1.518 4.621 1.00 0.00 C ATOM 524 O VAL A 34 5.717 -1.982 3.511 1.00 0.00 O ATOM 525 CB VAL A 34 5.695 0.624 5.940 1.00 0.00 C ATOM 526 CG1 VAL A 34 6.710 1.575 6.574 1.00 0.00 C ATOM 527 CG2 VAL A 34 4.917 1.376 4.854 1.00 0.00 C ATOM 0 H VAL A 34 8.450 -0.182 4.864 1.00 0.00 H new ATOM 0 HA VAL A 34 6.900 -1.150 6.154 1.00 0.00 H new ATOM 0 HB VAL A 34 4.991 0.263 6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.189 2.433 6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.254 1.054 7.362 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.412 1.917 5.814 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.399 2.226 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.609 1.732 4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.188 0.706 4.398 1.00 0.00 H new ATOM 537 N ASP A 35 4.321 -1.786 5.264 1.00 0.00 N ATOM 538 CA ASP A 35 3.313 -2.662 4.673 1.00 0.00 C ATOM 539 C ASP A 35 1.916 -2.254 5.132 1.00 0.00 C ATOM 540 O ASP A 35 1.334 -2.871 6.026 1.00 0.00 O ATOM 541 CB ASP A 35 3.569 -4.118 5.069 1.00 0.00 C ATOM 542 CG ASP A 35 2.779 -5.042 4.149 1.00 0.00 C ATOM 543 OD1 ASP A 35 3.169 -5.177 3.001 1.00 0.00 O ATOM 544 OD2 ASP A 35 1.797 -5.602 4.606 1.00 0.00 O ATOM 0 H ASP A 35 4.079 -1.415 6.183 1.00 0.00 H new ATOM 0 HA ASP A 35 3.378 -2.567 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.633 -4.343 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.275 -4.281 6.106 1.00 0.00 H new ATOM 549 N ASP A 36 1.383 -1.207 4.509 1.00 0.00 N ATOM 550 CA ASP A 36 0.051 -0.723 4.859 1.00 0.00 C ATOM 551 C ASP A 36 -1.003 -1.362 3.948 1.00 0.00 C ATOM 552 O ASP A 36 -0.756 -1.573 2.760 1.00 0.00 O ATOM 553 CB ASP A 36 -0.021 0.798 4.717 1.00 0.00 C ATOM 554 CG ASP A 36 0.511 1.452 5.988 1.00 0.00 C ATOM 555 OD1 ASP A 36 1.715 1.624 6.082 1.00 0.00 O ATOM 556 OD2 ASP A 36 -0.293 1.772 6.848 1.00 0.00 O ATOM 0 H ASP A 36 1.847 -0.682 3.767 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.148 -0.998 5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.564 1.122 3.856 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.050 1.109 4.538 1.00 0.00 H new ATOM 561 N PRO A 37 -2.186 -1.685 4.490 1.00 0.00 N ATOM 562 CA PRO A 37 -3.262 -2.308 3.705 1.00 0.00 C ATOM 563 C PRO A 37 -3.926 -1.334 2.730 1.00 0.00 C ATOM 564 O PRO A 37 -3.980 -1.586 1.525 1.00 0.00 O ATOM 565 CB PRO A 37 -4.261 -2.784 4.756 1.00 0.00 C ATOM 566 CG PRO A 37 -4.028 -1.913 5.944 1.00 0.00 C ATOM 567 CD PRO A 37 -2.590 -1.480 5.894 1.00 0.00 C ATOM 0 HA PRO A 37 -2.879 -3.112 3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.285 -2.691 4.395 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.103 -3.834 5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.692 -1.049 5.925 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.236 -2.455 6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.480 -0.437 6.189 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.975 -2.070 6.573 1.00 0.00 H new ATOM 575 N LYS A 38 -4.431 -0.222 3.260 1.00 0.00 N ATOM 576 CA LYS A 38 -5.093 0.782 2.428 1.00 0.00 C ATOM 577 C LYS A 38 -4.163 1.272 1.316 1.00 0.00 C ATOM 578 O LYS A 38 -4.614 1.681 0.247 1.00 0.00 O ATOM 579 CB LYS A 38 -5.526 1.977 3.280 1.00 0.00 C ATOM 580 CG LYS A 38 -6.372 1.486 4.457 1.00 0.00 C ATOM 581 CD LYS A 38 -7.164 2.656 5.042 1.00 0.00 C ATOM 582 CE LYS A 38 -7.387 2.427 6.537 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.332 1.300 6.780 1.00 0.00 N ATOM 0 H LYS A 38 -4.396 0.006 4.254 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.969 0.315 1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.650 2.512 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.099 2.680 2.675 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.053 0.702 4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.730 1.049 5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.624 3.589 4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.122 2.751 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.433 2.215 7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.779 3.337 6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.462 1.170 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.249 1.515 6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.945 0.427 6.367 1.00 0.00 H new ATOM 597 N LEU A 39 -2.859 1.230 1.578 1.00 0.00 N ATOM 598 CA LEU A 39 -1.882 1.674 0.589 1.00 0.00 C ATOM 599 C LEU A 39 -1.968 0.820 -0.675 1.00 0.00 C ATOM 600 O LEU A 39 -2.161 1.332 -1.778 1.00 0.00 O ATOM 601 CB LEU A 39 -0.466 1.589 1.163 1.00 0.00 C ATOM 602 CG LEU A 39 0.460 2.745 0.785 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.830 2.535 1.433 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.620 2.794 -0.736 1.00 0.00 C ATOM 0 H LEU A 39 -2.459 0.897 2.455 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.107 2.710 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.534 1.540 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.011 0.656 0.829 1.00 0.00 H new ATOM 0 HG LEU A 39 0.031 3.683 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.490 3.359 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.718 2.499 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.259 1.597 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.280 3.618 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.049 1.855 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.355 2.943 -1.200 1.00 0.00 H new ATOM 616 N LYS A 40 -1.818 -0.491 -0.500 1.00 0.00 N ATOM 617 CA LYS A 40 -1.875 -1.413 -1.632 1.00 0.00 C ATOM 618 C LYS A 40 -3.257 -1.387 -2.279 1.00 0.00 C ATOM 619 O LYS A 40 -3.392 -1.526 -3.495 1.00 0.00 O ATOM 620 CB LYS A 40 -1.571 -2.842 -1.174 1.00 0.00 C ATOM 621 CG LYS A 40 -0.245 -2.865 -0.409 1.00 0.00 C ATOM 622 CD LYS A 40 0.159 -4.315 -0.132 1.00 0.00 C ATOM 623 CE LYS A 40 -0.467 -4.775 1.185 1.00 0.00 C ATOM 624 NZ LYS A 40 0.376 -5.805 1.858 1.00 0.00 N ATOM 0 H LYS A 40 -1.658 -0.935 0.404 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.128 -1.094 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.376 -3.210 -0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.517 -3.507 -2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.530 -2.365 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.344 -2.318 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.171 -4.958 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.245 -4.398 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.596 -3.919 1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.460 -5.183 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.116 -6.158 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.548 -6.594 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.284 -5.382 2.137 1.00 0.00 H new ATOM 638 N GLU A 41 -4.281 -1.211 -1.450 1.00 0.00 N ATOM 639 CA GLU A 41 -5.655 -1.172 -1.945 1.00 0.00 C ATOM 640 C GLU A 41 -5.863 0.023 -2.870 1.00 0.00 C ATOM 641 O GLU A 41 -6.193 -0.130 -4.046 1.00 0.00 O ATOM 642 CB GLU A 41 -6.636 -1.072 -0.776 1.00 0.00 C ATOM 643 CG GLU A 41 -6.923 -2.471 -0.227 1.00 0.00 C ATOM 644 CD GLU A 41 -8.125 -3.067 -0.953 1.00 0.00 C ATOM 645 OE1 GLU A 41 -9.238 -2.696 -0.616 1.00 0.00 O ATOM 646 OE2 GLU A 41 -7.915 -3.884 -1.833 1.00 0.00 O ATOM 0 H GLU A 41 -4.189 -1.094 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.837 -2.092 -2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.219 -0.441 0.009 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.563 -0.602 -1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.051 -3.111 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.121 -2.419 0.844 1.00 0.00 H new ATOM 653 N HIS A 42 -5.677 1.221 -2.316 1.00 0.00 N ATOM 654 CA HIS A 42 -5.853 2.461 -3.080 1.00 0.00 C ATOM 655 C HIS A 42 -5.063 2.435 -4.389 1.00 0.00 C ATOM 656 O HIS A 42 -5.596 2.745 -5.454 1.00 0.00 O ATOM 657 CB HIS A 42 -5.393 3.660 -2.246 1.00 0.00 C ATOM 658 CG HIS A 42 -5.800 4.937 -2.928 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.915 5.677 -3.696 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.991 5.620 -2.965 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.582 6.751 -4.160 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.850 6.764 -3.743 1.00 0.00 N ATOM 0 H HIS A 42 -5.405 1.362 -1.343 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.913 2.551 -3.317 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.832 3.612 -1.250 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.311 3.633 -2.119 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.899 5.315 -2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.144 7.509 -4.792 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.563 7.463 -3.951 1.00 0.00 H new ATOM 670 N ALA A 43 -3.787 2.070 -4.298 1.00 0.00 N ATOM 671 CA ALA A 43 -2.921 2.019 -5.480 1.00 0.00 C ATOM 672 C ALA A 43 -3.529 1.155 -6.587 1.00 0.00 C ATOM 673 O ALA A 43 -3.425 1.478 -7.771 1.00 0.00 O ATOM 674 CB ALA A 43 -1.550 1.450 -5.110 1.00 0.00 C ATOM 0 H ALA A 43 -3.329 1.806 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.817 3.040 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.918 1.418 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.085 2.084 -4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.670 0.442 -4.713 1.00 0.00 H new ATOM 680 N PHE A 44 -4.157 0.052 -6.192 1.00 0.00 N ATOM 681 CA PHE A 44 -4.770 -0.856 -7.162 1.00 0.00 C ATOM 682 C PHE A 44 -5.836 -0.136 -7.988 1.00 0.00 C ATOM 683 O PHE A 44 -5.962 -0.360 -9.192 1.00 0.00 O ATOM 684 CB PHE A 44 -5.407 -2.054 -6.445 1.00 0.00 C ATOM 685 CG PHE A 44 -5.923 -3.064 -7.452 1.00 0.00 C ATOM 686 CD1 PHE A 44 -5.130 -3.449 -8.546 1.00 0.00 C ATOM 687 CD2 PHE A 44 -7.197 -3.620 -7.286 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.615 -4.386 -9.466 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.680 -4.557 -8.207 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.890 -4.940 -9.296 1.00 0.00 C ATOM 0 H PHE A 44 -4.256 -0.235 -5.218 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.984 -1.208 -7.830 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.673 -2.526 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.226 -1.713 -5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.147 -3.022 -8.677 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.808 -3.325 -6.446 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.006 -4.682 -10.307 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.663 -4.984 -8.077 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.263 -5.663 -10.006 1.00 0.00 H new ATOM 700 N CYS A 45 -6.604 0.727 -7.330 1.00 0.00 N ATOM 701 CA CYS A 45 -7.659 1.468 -8.020 1.00 0.00 C ATOM 702 C CYS A 45 -7.070 2.351 -9.119 1.00 0.00 C ATOM 703 O CYS A 45 -7.726 2.632 -10.122 1.00 0.00 O ATOM 704 CB CYS A 45 -8.437 2.339 -7.033 1.00 0.00 C ATOM 705 SG CYS A 45 -9.668 1.324 -6.184 1.00 0.00 S ATOM 0 H CYS A 45 -6.520 0.930 -6.334 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.336 0.743 -8.471 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.756 2.786 -6.309 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.925 3.159 -7.560 1.00 0.00 H new ATOM 710 N ILE A 46 -5.824 2.779 -8.926 1.00 0.00 N ATOM 711 CA ILE A 46 -5.157 3.624 -9.915 1.00 0.00 C ATOM 712 C ILE A 46 -4.317 2.751 -10.853 1.00 0.00 C ATOM 713 O ILE A 46 -4.119 3.088 -12.021 1.00 0.00 O ATOM 714 CB ILE A 46 -4.275 4.683 -9.211 1.00 0.00 C ATOM 715 CG1 ILE A 46 -5.174 5.738 -8.553 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.358 5.396 -10.219 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.929 5.121 -7.376 1.00 0.00 C ATOM 0 H ILE A 46 -5.261 2.558 -8.104 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.908 4.150 -10.504 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.664 4.173 -8.467 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.571 6.578 -8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.881 6.132 -9.283 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.749 6.135 -9.698 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.708 4.665 -10.700 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.966 5.894 -10.974 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.565 5.877 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.546 4.296 -7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.215 4.749 -6.641 1.00 0.00 H new ATOM 729 N LEU A 47 -3.833 1.621 -10.336 1.00 0.00 N ATOM 730 CA LEU A 47 -3.026 0.710 -11.147 1.00 0.00 C ATOM 731 C LEU A 47 -3.847 0.201 -12.333 1.00 0.00 C ATOM 732 O LEU A 47 -3.423 0.287 -13.485 1.00 0.00 O ATOM 733 CB LEU A 47 -2.548 -0.482 -10.301 1.00 0.00 C ATOM 734 CG LEU A 47 -1.037 -0.732 -10.317 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.579 -0.985 -11.752 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.315 0.493 -9.757 1.00 0.00 C ATOM 0 H LEU A 47 -3.983 1.318 -9.374 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.156 1.253 -11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.862 -0.324 -9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.052 -1.382 -10.653 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.804 -1.603 -9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.496 -1.163 -11.765 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.096 -1.858 -12.150 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.810 -0.115 -12.366 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.761 0.318 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.547 1.364 -10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.644 0.673 -8.733 1.00 0.00 H new ATOM 748 N LYS A 48 -5.031 -0.324 -12.030 1.00 0.00 N ATOM 749 CA LYS A 48 -5.916 -0.843 -13.068 1.00 0.00 C ATOM 750 C LYS A 48 -6.525 0.302 -13.877 1.00 0.00 C ATOM 751 O LYS A 48 -6.764 0.172 -15.077 1.00 0.00 O ATOM 752 CB LYS A 48 -7.043 -1.669 -12.440 1.00 0.00 C ATOM 753 CG LYS A 48 -7.857 -2.356 -13.540 1.00 0.00 C ATOM 754 CD LYS A 48 -9.315 -2.479 -13.093 1.00 0.00 C ATOM 755 CE LYS A 48 -9.935 -1.085 -12.972 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.422 -1.142 -13.040 1.00 0.00 N ATOM 0 H LYS A 48 -5.398 -0.401 -11.081 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.325 -1.476 -13.730 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.626 -2.415 -11.764 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.690 -1.025 -11.844 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.796 -1.782 -14.465 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.445 -3.343 -13.750 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.877 -3.077 -13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.370 -2.997 -12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.630 -0.630 -12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.557 -0.447 -13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.810 -0.181 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.712 -1.554 -13.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.783 -1.731 -12.263 1.00 0.00 H new ATOM 770 N ARG A 49 -6.780 1.423 -13.205 1.00 0.00 N ATOM 771 CA ARG A 49 -7.369 2.581 -13.875 1.00 0.00 C ATOM 772 C ARG A 49 -6.377 3.203 -14.853 1.00 0.00 C ATOM 773 O ARG A 49 -6.718 3.509 -15.995 1.00 0.00 O ATOM 774 CB ARG A 49 -7.785 3.639 -12.851 1.00 0.00 C ATOM 775 CG ARG A 49 -9.190 3.324 -12.334 1.00 0.00 C ATOM 776 CD ARG A 49 -10.225 3.773 -13.367 1.00 0.00 C ATOM 777 NE ARG A 49 -10.561 5.181 -13.178 1.00 0.00 N ATOM 778 CZ ARG A 49 -11.156 5.601 -12.065 1.00 0.00 C ATOM 779 NH1 ARG A 49 -12.337 5.144 -11.744 1.00 0.00 N ATOM 780 NH2 ARG A 49 -10.560 6.468 -11.293 1.00 0.00 N ATOM 0 H ARG A 49 -6.591 1.554 -12.211 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.247 2.236 -14.422 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.077 3.657 -12.023 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.767 4.629 -13.307 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.289 2.255 -12.145 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.363 3.832 -11.385 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.834 3.619 -14.373 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.124 3.164 -13.278 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.336 5.853 -13.911 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.802 4.465 -12.347 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.794 5.466 -10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.637 6.824 -11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.017 6.790 -10.440 1.00 0.00 H new ATOM 794 N ALA A 50 -5.144 3.389 -14.390 1.00 0.00 N ATOM 795 CA ALA A 50 -4.102 3.980 -15.229 1.00 0.00 C ATOM 796 C ALA A 50 -3.888 3.163 -16.504 1.00 0.00 C ATOM 797 O ALA A 50 -3.426 3.686 -17.518 1.00 0.00 O ATOM 798 CB ALA A 50 -2.779 4.054 -14.462 1.00 0.00 C ATOM 0 H ALA A 50 -4.842 3.142 -13.447 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.431 4.983 -15.501 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.013 4.496 -15.099 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.909 4.669 -13.571 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.472 3.050 -14.169 1.00 0.00 H new ATOM 804 N GLY A 51 -4.225 1.876 -16.443 1.00 0.00 N ATOM 805 CA GLY A 51 -4.061 1.001 -17.598 1.00 0.00 C ATOM 806 C GLY A 51 -2.786 0.177 -17.468 1.00 0.00 C ATOM 807 O GLY A 51 -2.139 -0.158 -18.461 1.00 0.00 O ATOM 0 H GLY A 51 -4.609 1.421 -15.615 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.922 0.338 -17.684 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.024 1.596 -18.510 1.00 0.00 H new ATOM 811 N PHE A 52 -2.433 -0.147 -16.228 1.00 0.00 N ATOM 812 CA PHE A 52 -1.234 -0.935 -15.962 1.00 0.00 C ATOM 813 C PHE A 52 -1.605 -2.402 -15.773 1.00 0.00 C ATOM 814 O PHE A 52 -0.939 -3.300 -16.290 1.00 0.00 O ATOM 815 CB PHE A 52 -0.535 -0.426 -14.698 1.00 0.00 C ATOM 816 CG PHE A 52 0.351 0.753 -15.037 1.00 0.00 C ATOM 817 CD1 PHE A 52 -0.162 1.837 -15.764 1.00 0.00 C ATOM 818 CD2 PHE A 52 1.686 0.764 -14.618 1.00 0.00 C ATOM 819 CE1 PHE A 52 0.662 2.927 -16.072 1.00 0.00 C ATOM 820 CE2 PHE A 52 2.509 1.855 -14.926 1.00 0.00 C ATOM 821 CZ PHE A 52 1.997 2.935 -15.653 1.00 0.00 C ATOM 0 H PHE A 52 -2.957 0.122 -15.395 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.559 -0.836 -16.812 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.277 -0.133 -13.955 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.061 -1.224 -14.255 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.193 1.831 -16.086 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.082 -0.069 -14.057 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.267 3.761 -16.633 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.539 1.862 -14.602 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.632 3.775 -15.891 1.00 0.00 H new ATOM 831 N ILE A 53 -2.683 -2.631 -15.029 1.00 0.00 N ATOM 832 CA ILE A 53 -3.153 -3.989 -14.777 1.00 0.00 C ATOM 833 C ILE A 53 -4.581 -4.149 -15.304 1.00 0.00 C ATOM 834 O ILE A 53 -5.343 -3.185 -15.365 1.00 0.00 O ATOM 835 CB ILE A 53 -3.099 -4.300 -13.272 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.518 -5.754 -13.028 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.035 -3.361 -12.504 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.770 -6.302 -11.811 1.00 0.00 C ATOM 0 H ILE A 53 -3.244 -1.899 -14.593 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.504 -4.693 -15.298 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.079 -4.152 -12.919 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.594 -5.811 -12.863 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.298 -6.360 -13.907 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.988 -3.591 -11.440 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.727 -2.328 -12.666 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.057 -3.495 -12.859 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.067 -7.336 -11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.696 -6.259 -11.994 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.013 -5.702 -10.934 1.00 0.00 H new ATOM 850 N ASP A 54 -4.930 -5.371 -15.696 1.00 0.00 N ATOM 851 CA ASP A 54 -6.267 -5.630 -16.230 1.00 0.00 C ATOM 852 C ASP A 54 -7.225 -6.079 -15.130 1.00 0.00 C ATOM 853 O ASP A 54 -6.812 -6.471 -14.038 1.00 0.00 O ATOM 854 CB ASP A 54 -6.222 -6.701 -17.326 1.00 0.00 C ATOM 855 CG ASP A 54 -5.461 -7.923 -16.825 1.00 0.00 C ATOM 856 OD1 ASP A 54 -6.060 -8.725 -16.127 1.00 0.00 O ATOM 857 OD2 ASP A 54 -4.290 -8.038 -17.145 1.00 0.00 O ATOM 0 H ASP A 54 -4.319 -6.186 -15.656 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.629 -4.694 -16.656 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.235 -6.984 -17.612 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.739 -6.301 -18.218 1.00 0.00 H new ATOM 862 N ALA A 55 -8.518 -6.008 -15.443 1.00 0.00 N ATOM 863 CA ALA A 55 -9.569 -6.394 -14.500 1.00 0.00 C ATOM 864 C ALA A 55 -9.380 -7.819 -13.967 1.00 0.00 C ATOM 865 O ALA A 55 -9.951 -8.181 -12.938 1.00 0.00 O ATOM 866 CB ALA A 55 -10.940 -6.300 -15.170 1.00 0.00 C ATOM 0 H ALA A 55 -8.865 -5.685 -16.346 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.506 -5.703 -13.660 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.713 -6.590 -14.458 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.115 -5.276 -15.499 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.971 -6.968 -16.031 1.00 0.00 H new ATOM 872 N SER A 56 -8.596 -8.632 -14.675 1.00 0.00 N ATOM 873 CA SER A 56 -8.380 -10.013 -14.246 1.00 0.00 C ATOM 874 C SER A 56 -7.205 -10.112 -13.270 1.00 0.00 C ATOM 875 O SER A 56 -7.109 -11.065 -12.498 1.00 0.00 O ATOM 876 CB SER A 56 -8.099 -10.909 -15.454 1.00 0.00 C ATOM 877 OG SER A 56 -9.329 -11.421 -15.952 1.00 0.00 O ATOM 0 H SER A 56 -8.109 -8.366 -15.531 1.00 0.00 H new ATOM 0 HA SER A 56 -9.288 -10.345 -13.743 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.586 -10.342 -16.231 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.439 -11.728 -15.169 1.00 0.00 H new ATOM 0 HG SER A 56 -9.155 -11.994 -16.727 1.00 0.00 H new ATOM 883 N GLY A 57 -6.320 -9.117 -13.298 1.00 0.00 N ATOM 884 CA GLY A 57 -5.174 -9.113 -12.399 1.00 0.00 C ATOM 885 C GLY A 57 -3.883 -9.534 -13.108 1.00 0.00 C ATOM 886 O GLY A 57 -2.873 -9.803 -12.458 1.00 0.00 O ATOM 0 H GLY A 57 -6.375 -8.315 -13.925 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.047 -8.115 -11.979 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.366 -9.788 -11.565 1.00 0.00 H new ATOM 890 N GLU A 58 -3.915 -9.578 -14.440 1.00 0.00 N ATOM 891 CA GLU A 58 -2.726 -9.957 -15.199 1.00 0.00 C ATOM 892 C GLU A 58 -1.796 -8.753 -15.327 1.00 0.00 C ATOM 893 O GLU A 58 -2.165 -7.721 -15.887 1.00 0.00 O ATOM 894 CB GLU A 58 -3.118 -10.459 -16.597 1.00 0.00 C ATOM 895 CG GLU A 58 -2.902 -11.973 -16.687 1.00 0.00 C ATOM 896 CD GLU A 58 -1.463 -12.259 -17.102 1.00 0.00 C ATOM 897 OE1 GLU A 58 -1.198 -12.241 -18.292 1.00 0.00 O ATOM 898 OE2 GLU A 58 -0.648 -12.490 -16.225 1.00 0.00 O ATOM 0 H GLU A 58 -4.735 -9.360 -15.006 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.213 -10.761 -14.671 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.162 -10.219 -16.800 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.521 -9.952 -17.355 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.113 -12.439 -15.724 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.593 -12.407 -17.410 1.00 0.00 H new ATOM 905 N PHE A 59 -0.587 -8.891 -14.787 1.00 0.00 N ATOM 906 CA PHE A 59 0.384 -7.801 -14.831 1.00 0.00 C ATOM 907 C PHE A 59 0.870 -7.549 -16.256 1.00 0.00 C ATOM 908 O PHE A 59 0.982 -8.468 -17.067 1.00 0.00 O ATOM 909 CB PHE A 59 1.593 -8.113 -13.941 1.00 0.00 C ATOM 910 CG PHE A 59 2.138 -9.485 -14.270 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.840 -9.691 -15.464 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.945 -10.547 -13.378 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.347 -10.961 -15.766 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.452 -11.816 -13.680 1.00 0.00 C ATOM 915 CZ PHE A 59 3.154 -12.023 -14.875 1.00 0.00 C ATOM 0 H PHE A 59 -0.259 -9.736 -14.319 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.120 -6.907 -14.463 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.367 -7.360 -14.089 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.303 -8.070 -12.891 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.990 -8.871 -16.151 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.405 -10.387 -12.457 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.887 -11.121 -16.687 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.302 -12.635 -12.992 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.546 -13.002 -15.108 1.00 0.00 H new ATOM 925 N GLN A 60 1.165 -6.282 -16.539 1.00 0.00 N ATOM 926 CA GLN A 60 1.653 -5.885 -17.857 1.00 0.00 C ATOM 927 C GLN A 60 2.897 -5.018 -17.699 1.00 0.00 C ATOM 928 O GLN A 60 2.824 -3.790 -17.711 1.00 0.00 O ATOM 929 CB GLN A 60 0.583 -5.096 -18.615 1.00 0.00 C ATOM 930 CG GLN A 60 -0.279 -6.060 -19.431 1.00 0.00 C ATOM 931 CD GLN A 60 -1.680 -5.480 -19.592 1.00 0.00 C ATOM 932 OE1 GLN A 60 -2.074 -5.086 -20.690 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.465 -5.403 -18.552 1.00 0.00 N ATOM 0 H GLN A 60 1.075 -5.514 -15.874 1.00 0.00 H new ATOM 0 HA GLN A 60 1.894 -6.785 -18.423 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.039 -4.540 -17.914 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.053 -4.365 -19.273 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.171 -6.227 -20.409 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.330 -7.029 -18.934 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.139 -5.729 -17.642 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.404 -5.017 -18.649 1.00 0.00 H new ATOM 942 N LEU A 61 4.038 -5.677 -17.526 1.00 0.00 N ATOM 943 CA LEU A 61 5.303 -4.971 -17.336 1.00 0.00 C ATOM 944 C LEU A 61 5.780 -4.312 -18.625 1.00 0.00 C ATOM 945 O LEU A 61 6.455 -3.284 -18.592 1.00 0.00 O ATOM 946 CB LEU A 61 6.374 -5.943 -16.842 1.00 0.00 C ATOM 947 CG LEU A 61 5.920 -6.917 -15.751 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.122 -7.716 -15.245 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.306 -6.130 -14.590 1.00 0.00 C ATOM 0 H LEU A 61 4.114 -6.694 -17.513 1.00 0.00 H new ATOM 0 HA LEU A 61 5.135 -4.190 -16.594 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.738 -6.520 -17.692 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.218 -5.366 -16.463 1.00 0.00 H new ATOM 0 HG LEU A 61 5.177 -7.601 -16.162 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.798 -8.409 -14.469 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.560 -8.276 -16.071 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.866 -7.033 -14.834 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.982 -6.822 -13.812 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.049 -5.446 -14.181 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.449 -5.561 -14.949 1.00 0.00 H new ATOM 961 N ASP A 62 5.431 -4.909 -19.763 1.00 0.00 N ATOM 962 CA ASP A 62 5.843 -4.360 -21.057 1.00 0.00 C ATOM 963 C ASP A 62 5.387 -2.909 -21.206 1.00 0.00 C ATOM 964 O ASP A 62 6.032 -2.107 -21.884 1.00 0.00 O ATOM 965 CB ASP A 62 5.257 -5.187 -22.203 1.00 0.00 C ATOM 966 CG ASP A 62 3.744 -5.282 -22.042 1.00 0.00 C ATOM 967 OD1 ASP A 62 3.307 -5.749 -21.003 1.00 0.00 O ATOM 968 OD2 ASP A 62 3.044 -4.886 -22.960 1.00 0.00 O ATOM 0 H ASP A 62 4.872 -5.761 -19.818 1.00 0.00 H new ATOM 0 HA ASP A 62 6.932 -4.399 -21.099 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.503 -4.727 -23.160 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.696 -6.185 -22.207 1.00 0.00 H new ATOM 973 N HIS A 63 4.273 -2.577 -20.559 1.00 0.00 N ATOM 974 CA HIS A 63 3.744 -1.218 -20.619 1.00 0.00 C ATOM 975 C HIS A 63 4.391 -0.350 -19.541 1.00 0.00 C ATOM 976 O HIS A 63 4.570 0.855 -19.719 1.00 0.00 O ATOM 977 CB HIS A 63 2.228 -1.223 -20.411 1.00 0.00 C ATOM 978 CG HIS A 63 1.535 -1.348 -21.741 1.00 0.00 C ATOM 979 ND1 HIS A 63 0.342 -0.699 -22.016 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.855 -2.046 -22.881 1.00 0.00 C ATOM 981 CE1 HIS A 63 -0.010 -1.015 -23.277 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.877 -1.834 -23.848 1.00 0.00 N ATOM 0 H HIS A 63 3.724 -3.223 -19.992 1.00 0.00 H new ATOM 0 HA HIS A 63 3.972 -0.810 -21.603 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.943 -2.051 -19.762 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.916 -0.305 -19.912 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.731 -2.664 -23.007 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.901 -0.651 -23.767 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.845 -2.221 -24.791 1.00 0.00 H new ATOM 990 N ILE A 64 4.739 -0.979 -18.420 1.00 0.00 N ATOM 991 CA ILE A 64 5.365 -0.259 -17.313 1.00 0.00 C ATOM 992 C ILE A 64 6.779 0.178 -17.686 1.00 0.00 C ATOM 993 O ILE A 64 7.130 1.352 -17.577 1.00 0.00 O ATOM 994 CB ILE A 64 5.429 -1.155 -16.069 1.00 0.00 C ATOM 995 CG1 ILE A 64 4.023 -1.653 -15.729 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.984 -0.363 -14.880 1.00 0.00 C ATOM 997 CD1 ILE A 64 4.108 -2.848 -14.774 1.00 0.00 C ATOM 0 H ILE A 64 4.600 -1.976 -18.255 1.00 0.00 H new ATOM 0 HA ILE A 64 4.762 0.624 -17.100 1.00 0.00 H new ATOM 0 HB ILE A 64 6.083 -2.002 -16.274 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.445 -0.851 -15.270 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.500 -1.942 -16.641 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.026 -1.007 -14.002 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.986 -0.006 -15.117 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.335 0.488 -14.675 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.103 -3.196 -14.537 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.669 -3.653 -15.248 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.613 -2.545 -13.857 1.00 0.00 H new ATOM 1009 N LYS A 65 7.592 -0.786 -18.115 1.00 0.00 N ATOM 1010 CA LYS A 65 8.977 -0.500 -18.489 1.00 0.00 C ATOM 1011 C LYS A 65 9.049 0.606 -19.543 1.00 0.00 C ATOM 1012 O LYS A 65 9.879 1.508 -19.457 1.00 0.00 O ATOM 1013 CB LYS A 65 9.659 -1.762 -19.031 1.00 0.00 C ATOM 1014 CG LYS A 65 8.899 -2.289 -20.250 1.00 0.00 C ATOM 1015 CD LYS A 65 9.372 -3.712 -20.570 1.00 0.00 C ATOM 1016 CE LYS A 65 8.925 -4.676 -19.464 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.057 -5.524 -18.992 1.00 0.00 N ATOM 0 H LYS A 65 7.319 -1.764 -18.212 1.00 0.00 H new ATOM 0 HA LYS A 65 9.496 -0.163 -17.592 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.690 -1.538 -19.305 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.694 -2.527 -18.256 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.827 -2.286 -20.053 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.067 -1.637 -21.107 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.965 -4.032 -21.529 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.458 -3.731 -20.663 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.520 -4.108 -18.626 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.122 -5.312 -19.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.722 -6.165 -18.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.427 -6.083 -19.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.812 -4.916 -18.615 1.00 0.00 H new ATOM 1031 N THR A 66 8.171 0.521 -20.539 1.00 0.00 N ATOM 1032 CA THR A 66 8.144 1.516 -21.609 1.00 0.00 C ATOM 1033 C THR A 66 7.883 2.915 -21.054 1.00 0.00 C ATOM 1034 O THR A 66 8.506 3.890 -21.472 1.00 0.00 O ATOM 1035 CB THR A 66 7.052 1.175 -22.625 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.180 -0.185 -23.018 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.193 2.078 -23.851 1.00 0.00 C ATOM 0 H THR A 66 7.475 -0.219 -20.628 1.00 0.00 H new ATOM 0 HA THR A 66 9.120 1.502 -22.095 1.00 0.00 H new ATOM 0 HB THR A 66 6.073 1.332 -22.172 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.419 -0.698 -22.674 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.415 1.834 -24.574 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.094 3.120 -23.548 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.172 1.924 -24.306 1.00 0.00 H new ATOM 1045 N LYS A 67 6.944 3.003 -20.114 1.00 0.00 N ATOM 1046 CA LYS A 67 6.597 4.290 -19.515 1.00 0.00 C ATOM 1047 C LYS A 67 7.775 4.870 -18.739 1.00 0.00 C ATOM 1048 O LYS A 67 8.126 6.040 -18.899 1.00 0.00 O ATOM 1049 CB LYS A 67 5.407 4.133 -18.567 1.00 0.00 C ATOM 1050 CG LYS A 67 4.112 4.062 -19.378 1.00 0.00 C ATOM 1051 CD LYS A 67 3.503 5.460 -19.494 1.00 0.00 C ATOM 1052 CE LYS A 67 2.007 5.344 -19.786 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.281 6.591 -19.413 1.00 0.00 N ATOM 0 H LYS A 67 6.415 2.209 -19.754 1.00 0.00 H new ATOM 0 HA LYS A 67 6.336 4.970 -20.326 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.523 3.230 -17.968 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.368 4.973 -17.873 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.314 3.659 -20.370 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.406 3.385 -18.897 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.662 6.015 -18.569 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.997 6.018 -20.289 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.857 5.137 -20.846 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.592 4.501 -19.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.269 6.480 -19.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.405 6.774 -18.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.662 7.391 -19.958 1.00 0.00 H new ATOM 1067 N PHE A 68 8.377 4.045 -17.888 1.00 0.00 N ATOM 1068 CA PHE A 68 9.509 4.490 -17.081 1.00 0.00 C ATOM 1069 C PHE A 68 10.729 4.783 -17.958 1.00 0.00 C ATOM 1070 O PHE A 68 11.590 5.582 -17.592 1.00 0.00 O ATOM 1071 CB PHE A 68 9.878 3.422 -16.047 1.00 0.00 C ATOM 1072 CG PHE A 68 9.159 3.702 -14.747 1.00 0.00 C ATOM 1073 CD1 PHE A 68 9.452 4.862 -14.021 1.00 0.00 C ATOM 1074 CD2 PHE A 68 8.200 2.800 -14.269 1.00 0.00 C ATOM 1075 CE1 PHE A 68 8.786 5.121 -12.817 1.00 0.00 C ATOM 1076 CE2 PHE A 68 7.535 3.060 -13.065 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.828 4.220 -12.338 1.00 0.00 C ATOM 0 H PHE A 68 8.104 3.074 -17.740 1.00 0.00 H new ATOM 0 HA PHE A 68 9.212 5.407 -16.571 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.607 2.434 -16.418 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.956 3.417 -15.884 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.192 5.557 -14.389 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.974 1.905 -14.829 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.012 6.017 -12.257 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.795 2.365 -12.696 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.315 4.419 -11.409 1.00 0.00 H new ATOM 1087 N LYS A 69 10.798 4.129 -19.116 1.00 0.00 N ATOM 1088 CA LYS A 69 11.925 4.335 -20.026 1.00 0.00 C ATOM 1089 C LYS A 69 11.855 5.719 -20.665 1.00 0.00 C ATOM 1090 O LYS A 69 12.775 6.525 -20.537 1.00 0.00 O ATOM 1091 CB LYS A 69 11.928 3.276 -21.133 1.00 0.00 C ATOM 1092 CG LYS A 69 13.369 2.912 -21.491 1.00 0.00 C ATOM 1093 CD LYS A 69 13.387 1.575 -22.237 1.00 0.00 C ATOM 1094 CE LYS A 69 14.833 1.169 -22.526 1.00 0.00 C ATOM 1095 NZ LYS A 69 14.995 -0.311 -22.506 1.00 0.00 N ATOM 0 H LYS A 69 10.099 3.462 -19.444 1.00 0.00 H new ATOM 0 HA LYS A 69 12.841 4.251 -19.442 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.390 2.388 -20.802 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.408 3.654 -22.013 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.809 3.693 -22.111 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.974 2.844 -20.587 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.895 0.807 -21.640 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.829 1.660 -23.169 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.134 1.557 -23.499 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.494 1.619 -21.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.801 -0.580 -23.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.167 -0.628 -21.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.130 -0.760 -22.868 1.00 0.00 H new ATOM 1109 N GLU A 70 10.750 5.980 -21.363 1.00 0.00 N ATOM 1110 CA GLU A 70 10.558 7.269 -22.034 1.00 0.00 C ATOM 1111 C GLU A 70 10.746 8.432 -21.061 1.00 0.00 C ATOM 1112 O GLU A 70 10.201 8.434 -19.957 1.00 0.00 O ATOM 1113 CB GLU A 70 9.154 7.353 -22.641 1.00 0.00 C ATOM 1114 CG GLU A 70 8.109 7.088 -21.556 1.00 0.00 C ATOM 1115 CD GLU A 70 6.713 7.163 -22.164 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.305 6.193 -22.783 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.072 8.189 -22.004 1.00 0.00 O ATOM 0 H GLU A 70 9.979 5.323 -21.479 1.00 0.00 H new ATOM 0 HA GLU A 70 11.307 7.341 -22.823 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.995 8.338 -23.080 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.050 6.625 -23.445 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.271 6.106 -21.112 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.208 7.820 -20.755 1.00 0.00 H new ATOM 1124 N ASN A 71 11.533 9.419 -21.486 1.00 0.00 N ATOM 1125 CA ASN A 71 11.800 10.589 -20.651 1.00 0.00 C ATOM 1126 C ASN A 71 12.497 10.173 -19.360 1.00 0.00 C ATOM 1127 O ASN A 71 11.854 9.943 -18.335 1.00 0.00 O ATOM 1128 CB ASN A 71 10.497 11.314 -20.304 1.00 0.00 C ATOM 1129 CG ASN A 71 10.813 12.731 -19.836 1.00 0.00 C ATOM 1130 OD1 ASN A 71 11.748 12.943 -19.064 1.00 0.00 O ATOM 1131 ND2 ASN A 71 10.082 13.724 -20.263 1.00 0.00 N ATOM 0 H ASN A 71 11.994 9.433 -22.396 1.00 0.00 H new ATOM 0 HA ASN A 71 12.447 11.262 -21.214 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.842 11.345 -21.175 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.964 10.772 -19.523 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.285 14.676 -19.957 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.307 13.549 -20.903 1.00 0.00 H new ATOM 1138 N SER A 72 13.823 10.075 -19.423 1.00 0.00 N ATOM 1139 CA SER A 72 14.604 9.683 -18.253 1.00 0.00 C ATOM 1140 C SER A 72 16.063 10.093 -18.426 1.00 0.00 C ATOM 1141 O SER A 72 16.502 10.437 -19.524 1.00 0.00 O ATOM 1142 CB SER A 72 14.533 8.170 -18.045 1.00 0.00 C ATOM 1143 OG SER A 72 14.838 7.868 -16.690 1.00 0.00 O ATOM 0 H SER A 72 14.374 10.259 -20.262 1.00 0.00 H new ATOM 0 HA SER A 72 14.185 10.188 -17.383 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.538 7.803 -18.296 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.236 7.667 -18.709 1.00 0.00 H new ATOM 0 HG SER A 72 14.792 6.899 -16.552 1.00 0.00 H new ATOM 1149 N GLU A 73 16.811 10.052 -17.326 1.00 0.00 N ATOM 1150 CA GLU A 73 18.224 10.420 -17.362 1.00 0.00 C ATOM 1151 C GLU A 73 19.058 9.275 -17.929 1.00 0.00 C ATOM 1152 O GLU A 73 20.002 9.491 -18.688 1.00 0.00 O ATOM 1153 CB GLU A 73 18.726 10.755 -15.956 1.00 0.00 C ATOM 1154 CG GLU A 73 18.526 12.248 -15.685 1.00 0.00 C ATOM 1155 CD GLU A 73 17.042 12.537 -15.494 1.00 0.00 C ATOM 1156 OE1 GLU A 73 16.331 12.563 -16.484 1.00 0.00 O ATOM 1157 OE2 GLU A 73 16.636 12.727 -14.358 1.00 0.00 O ATOM 0 H GLU A 73 16.467 9.771 -16.408 1.00 0.00 H new ATOM 0 HA GLU A 73 18.328 11.296 -18.002 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.186 10.165 -15.215 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.781 10.496 -15.863 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.082 12.544 -14.796 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.917 12.835 -16.516 1.00 0.00 H new ATOM 1164 N HIS A 74 18.697 8.052 -17.549 1.00 0.00 N ATOM 1165 CA HIS A 74 19.418 6.874 -18.024 1.00 0.00 C ATOM 1166 C HIS A 74 18.466 5.678 -18.147 1.00 0.00 C ATOM 1167 O HIS A 74 18.497 4.761 -17.325 1.00 0.00 O ATOM 1168 CB HIS A 74 20.556 6.520 -17.063 1.00 0.00 C ATOM 1169 CG HIS A 74 21.549 7.650 -17.024 1.00 0.00 C ATOM 1170 ND1 HIS A 74 22.383 7.939 -18.093 1.00 0.00 N ATOM 1171 CD2 HIS A 74 21.853 8.570 -16.052 1.00 0.00 C ATOM 1172 CE1 HIS A 74 23.141 8.994 -17.742 1.00 0.00 C ATOM 1173 NE2 HIS A 74 22.860 9.418 -16.507 1.00 0.00 N ATOM 0 H HIS A 74 17.919 7.852 -16.921 1.00 0.00 H new ATOM 0 HA HIS A 74 19.835 7.104 -19.005 1.00 0.00 H new ATOM 0 HB2 HIS A 74 20.159 6.336 -16.065 1.00 0.00 H new ATOM 0 HB3 HIS A 74 21.046 5.602 -17.386 1.00 0.00 H new ATOM 0 HD2 HIS A 74 21.383 8.628 -15.081 1.00 0.00 H new ATOM 0 HE1 HIS A 74 23.886 9.443 -18.381 1.00 0.00 H new ATOM 0 HE2 HIS A 74 23.290 10.195 -16.005 1.00 0.00 H new ATOM 1181 N PRO A 75 17.609 5.672 -19.177 1.00 0.00 N ATOM 1182 CA PRO A 75 16.651 4.578 -19.395 1.00 0.00 C ATOM 1183 C PRO A 75 17.327 3.309 -19.909 1.00 0.00 C ATOM 1184 O PRO A 75 17.819 3.264 -21.037 1.00 0.00 O ATOM 1185 CB PRO A 75 15.693 5.132 -20.446 1.00 0.00 C ATOM 1186 CG PRO A 75 16.473 6.169 -21.178 1.00 0.00 C ATOM 1187 CD PRO A 75 17.487 6.715 -20.214 1.00 0.00 C ATOM 0 HA PRO A 75 16.158 4.286 -18.468 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.352 4.347 -21.121 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.805 5.562 -19.982 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.963 5.738 -22.051 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.818 6.962 -21.539 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.442 6.900 -20.705 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.159 7.663 -19.787 1.00 0.00 H new ATOM 1195 N GLU A 76 17.345 2.277 -19.068 1.00 0.00 N ATOM 1196 CA GLU A 76 17.964 1.007 -19.445 1.00 0.00 C ATOM 1197 C GLU A 76 17.847 -0.005 -18.308 1.00 0.00 C ATOM 1198 O GLU A 76 17.618 -1.193 -18.535 1.00 0.00 O ATOM 1199 CB GLU A 76 19.445 1.206 -19.779 1.00 0.00 C ATOM 1200 CG GLU A 76 20.142 1.909 -18.613 1.00 0.00 C ATOM 1201 CD GLU A 76 21.450 2.525 -19.099 1.00 0.00 C ATOM 1202 OE1 GLU A 76 22.290 1.783 -19.578 1.00 0.00 O ATOM 1203 OE2 GLU A 76 21.592 3.732 -18.984 1.00 0.00 O ATOM 0 H GLU A 76 16.943 2.293 -18.131 1.00 0.00 H new ATOM 0 HA GLU A 76 17.440 0.631 -20.324 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.918 0.243 -19.972 1.00 0.00 H new ATOM 0 HB3 GLU A 76 19.547 1.799 -20.688 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.494 2.683 -18.201 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.339 1.198 -17.811 1.00 0.00 H new ATOM 1210 N LYS A 77 18.012 0.480 -17.080 1.00 0.00 N ATOM 1211 CA LYS A 77 17.928 -0.390 -15.908 1.00 0.00 C ATOM 1212 C LYS A 77 16.474 -0.631 -15.493 1.00 0.00 C ATOM 1213 O LYS A 77 16.181 -1.567 -14.750 1.00 0.00 O ATOM 1214 CB LYS A 77 18.683 0.234 -14.731 1.00 0.00 C ATOM 1215 CG LYS A 77 20.187 0.165 -14.997 1.00 0.00 C ATOM 1216 CD LYS A 77 20.883 1.339 -14.306 1.00 0.00 C ATOM 1217 CE LYS A 77 22.271 0.904 -13.833 1.00 0.00 C ATOM 1218 NZ LYS A 77 23.210 2.060 -13.763 1.00 0.00 N ATOM 0 H LYS A 77 18.203 1.460 -16.871 1.00 0.00 H new ATOM 0 HA LYS A 77 18.379 -1.345 -16.177 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.374 1.270 -14.595 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.441 -0.294 -13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.589 -0.778 -14.628 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.379 0.195 -16.070 1.00 0.00 H new ATOM 0 HD2 LYS A 77 20.969 2.180 -14.994 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.289 1.680 -13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 77 22.193 0.437 -12.851 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.669 0.151 -14.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 24.142 1.731 -13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.303 2.489 -14.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.841 2.767 -13.095 1.00 0.00 H new ATOM 1232 N VAL A 78 15.564 0.220 -15.971 1.00 0.00 N ATOM 1233 CA VAL A 78 14.146 0.079 -15.631 1.00 0.00 C ATOM 1234 C VAL A 78 13.619 -1.296 -16.041 1.00 0.00 C ATOM 1235 O VAL A 78 13.162 -2.073 -15.204 1.00 0.00 O ATOM 1236 CB VAL A 78 13.318 1.166 -16.331 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.858 1.092 -15.873 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.884 2.544 -15.979 1.00 0.00 C ATOM 0 H VAL A 78 15.779 1.004 -16.587 1.00 0.00 H new ATOM 0 HA VAL A 78 14.051 0.187 -14.550 1.00 0.00 H new ATOM 0 HB VAL A 78 13.366 1.009 -17.408 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.279 1.867 -16.375 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.448 0.114 -16.123 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.807 1.243 -14.795 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.297 3.316 -16.476 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.839 2.691 -14.900 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.920 2.607 -16.310 1.00 0.00 H new ATOM 1248 N ASP A 79 13.676 -1.583 -17.344 1.00 0.00 N ATOM 1249 CA ASP A 79 13.185 -2.864 -17.876 1.00 0.00 C ATOM 1250 C ASP A 79 13.667 -4.053 -17.038 1.00 0.00 C ATOM 1251 O ASP A 79 12.898 -4.964 -16.734 1.00 0.00 O ATOM 1252 CB ASP A 79 13.652 -3.058 -19.321 1.00 0.00 C ATOM 1253 CG ASP A 79 15.160 -2.844 -19.409 1.00 0.00 C ATOM 1254 OD1 ASP A 79 15.890 -3.762 -19.073 1.00 0.00 O ATOM 1255 OD2 ASP A 79 15.562 -1.766 -19.812 1.00 0.00 O ATOM 0 H ASP A 79 14.055 -0.951 -18.050 1.00 0.00 H new ATOM 0 HA ASP A 79 12.096 -2.827 -17.836 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.397 -4.061 -19.664 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.137 -2.356 -19.977 1.00 0.00 H new ATOM 1260 N ASP A 80 14.944 -4.033 -16.674 1.00 0.00 N ATOM 1261 CA ASP A 80 15.510 -5.116 -15.875 1.00 0.00 C ATOM 1262 C ASP A 80 14.952 -5.083 -14.455 1.00 0.00 C ATOM 1263 O ASP A 80 14.640 -6.120 -13.869 1.00 0.00 O ATOM 1264 CB ASP A 80 17.033 -4.996 -15.812 1.00 0.00 C ATOM 1265 CG ASP A 80 17.633 -6.336 -15.397 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.217 -7.343 -15.946 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.498 -6.335 -14.538 1.00 0.00 O ATOM 0 H ASP A 80 15.600 -3.290 -16.915 1.00 0.00 H new ATOM 0 HA ASP A 80 15.238 -6.059 -16.350 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.425 -4.695 -16.784 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.318 -4.222 -15.100 1.00 0.00 H new ATOM 1272 N LEU A 81 14.836 -3.877 -13.907 1.00 0.00 N ATOM 1273 CA LEU A 81 14.323 -3.710 -12.550 1.00 0.00 C ATOM 1274 C LEU A 81 12.833 -4.051 -12.482 1.00 0.00 C ATOM 1275 O LEU A 81 12.341 -4.524 -11.458 1.00 0.00 O ATOM 1276 CB LEU A 81 14.536 -2.270 -12.076 1.00 0.00 C ATOM 1277 CG LEU A 81 14.944 -2.115 -10.609 1.00 0.00 C ATOM 1278 CD1 LEU A 81 16.470 -2.154 -10.496 1.00 0.00 C ATOM 1279 CD2 LEU A 81 14.431 -0.775 -10.075 1.00 0.00 C ATOM 0 H LEU A 81 15.088 -3.007 -14.377 1.00 0.00 H new ATOM 0 HA LEU A 81 14.870 -4.393 -11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.303 -1.810 -12.699 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.615 -1.711 -12.240 1.00 0.00 H new ATOM 0 HG LEU A 81 14.514 -2.929 -10.026 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.760 -2.044 -9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.839 -3.107 -10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.899 -1.340 -11.080 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.721 -0.664 -9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.861 0.038 -10.659 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.344 -0.744 -10.155 1.00 0.00 H new ATOM 1291 N VAL A 82 12.121 -3.800 -13.579 1.00 0.00 N ATOM 1292 CA VAL A 82 10.685 -4.080 -13.627 1.00 0.00 C ATOM 1293 C VAL A 82 10.411 -5.563 -13.374 1.00 0.00 C ATOM 1294 O VAL A 82 9.452 -5.923 -12.693 1.00 0.00 O ATOM 1295 CB VAL A 82 10.106 -3.685 -14.996 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.586 -3.886 -14.997 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.427 -2.210 -15.289 1.00 0.00 C ATOM 0 H VAL A 82 12.508 -3.408 -14.438 1.00 0.00 H new ATOM 0 HA VAL A 82 10.205 -3.491 -12.846 1.00 0.00 H new ATOM 0 HB VAL A 82 10.553 -4.314 -15.766 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.182 -3.604 -15.970 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.357 -4.933 -14.799 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.136 -3.264 -14.223 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.015 -1.934 -16.260 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.986 -1.581 -14.516 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.508 -2.068 -15.300 1.00 0.00 H new ATOM 1307 N ALA A 83 11.258 -6.417 -13.939 1.00 0.00 N ATOM 1308 CA ALA A 83 11.092 -7.859 -13.777 1.00 0.00 C ATOM 1309 C ALA A 83 11.250 -8.269 -12.315 1.00 0.00 C ATOM 1310 O ALA A 83 10.413 -8.984 -11.762 1.00 0.00 O ATOM 1311 CB ALA A 83 12.125 -8.613 -14.617 1.00 0.00 C ATOM 0 H ALA A 83 12.059 -6.141 -14.508 1.00 0.00 H new ATOM 0 HA ALA A 83 10.087 -8.114 -14.113 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.988 -9.686 -14.485 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.996 -8.357 -15.669 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.129 -8.333 -14.296 1.00 0.00 H new ATOM 1317 N LYS A 84 12.339 -7.820 -11.699 1.00 0.00 N ATOM 1318 CA LYS A 84 12.612 -8.156 -10.303 1.00 0.00 C ATOM 1319 C LYS A 84 11.735 -7.346 -9.346 1.00 0.00 C ATOM 1320 O LYS A 84 11.509 -7.751 -8.205 1.00 0.00 O ATOM 1321 CB LYS A 84 14.081 -7.887 -9.972 1.00 0.00 C ATOM 1322 CG LYS A 84 14.548 -8.859 -8.886 1.00 0.00 C ATOM 1323 CD LYS A 84 16.052 -9.100 -9.030 1.00 0.00 C ATOM 1324 CE LYS A 84 16.616 -9.615 -7.705 1.00 0.00 C ATOM 1325 NZ LYS A 84 18.031 -10.060 -7.851 1.00 0.00 N ATOM 0 H LYS A 84 13.043 -7.227 -12.139 1.00 0.00 H new ATOM 0 HA LYS A 84 12.385 -9.214 -10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.693 -8.003 -10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.205 -6.859 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.327 -8.452 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.008 -9.802 -8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.241 -9.823 -9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.553 -8.175 -9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.556 -8.829 -6.953 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.007 -10.445 -7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.383 -10.403 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.083 -10.827 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.615 -9.261 -8.169 1.00 0.00 H new ATOM 1339 N CYS A 85 11.252 -6.194 -9.808 1.00 0.00 N ATOM 1340 CA CYS A 85 10.416 -5.342 -8.962 1.00 0.00 C ATOM 1341 C CYS A 85 8.946 -5.735 -9.065 1.00 0.00 C ATOM 1342 O CYS A 85 8.230 -5.773 -8.064 1.00 0.00 O ATOM 1343 CB CYS A 85 10.561 -3.874 -9.367 1.00 0.00 C ATOM 1344 SG CYS A 85 12.167 -3.260 -8.806 1.00 0.00 S ATOM 0 H CYS A 85 11.421 -5.833 -10.747 1.00 0.00 H new ATOM 0 HA CYS A 85 10.752 -5.477 -7.934 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.477 -3.773 -10.449 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.758 -3.282 -8.928 1.00 0.00 H new ATOM 1349 N ALA A 86 8.500 -6.012 -10.283 1.00 0.00 N ATOM 1350 CA ALA A 86 7.105 -6.385 -10.500 1.00 0.00 C ATOM 1351 C ALA A 86 6.882 -7.869 -10.206 1.00 0.00 C ATOM 1352 O ALA A 86 6.458 -8.637 -11.071 1.00 0.00 O ATOM 1353 CB ALA A 86 6.694 -6.082 -11.943 1.00 0.00 C ATOM 0 H ALA A 86 9.073 -5.987 -11.126 1.00 0.00 H new ATOM 0 HA ALA A 86 6.491 -5.798 -9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.652 -6.365 -12.091 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.812 -5.016 -12.139 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.325 -6.649 -12.628 1.00 0.00 H new ATOM 1359 N VAL A 87 7.162 -8.264 -8.968 1.00 0.00 N ATOM 1360 CA VAL A 87 6.976 -9.659 -8.570 1.00 0.00 C ATOM 1361 C VAL A 87 5.496 -10.026 -8.629 1.00 0.00 C ATOM 1362 O VAL A 87 4.655 -9.396 -7.989 1.00 0.00 O ATOM 1363 CB VAL A 87 7.508 -9.910 -7.152 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.038 -9.902 -7.174 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.012 -8.819 -6.197 1.00 0.00 C ATOM 0 H VAL A 87 7.513 -7.651 -8.232 1.00 0.00 H new ATOM 0 HA VAL A 87 7.539 -10.282 -9.265 1.00 0.00 H new ATOM 0 HB VAL A 87 7.146 -10.878 -6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.417 -10.080 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.396 -10.686 -7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.392 -8.934 -7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.397 -9.010 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.363 -7.846 -6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.922 -8.824 -6.174 1.00 0.00 H new ATOM 1375 N LYS A 88 5.187 -11.050 -9.417 1.00 0.00 N ATOM 1376 CA LYS A 88 3.803 -11.494 -9.568 1.00 0.00 C ATOM 1377 C LYS A 88 3.288 -12.112 -8.271 1.00 0.00 C ATOM 1378 O LYS A 88 3.727 -13.185 -7.859 1.00 0.00 O ATOM 1379 CB LYS A 88 3.688 -12.526 -10.694 1.00 0.00 C ATOM 1380 CG LYS A 88 4.658 -13.688 -10.439 1.00 0.00 C ATOM 1381 CD LYS A 88 3.880 -14.923 -9.977 1.00 0.00 C ATOM 1382 CE LYS A 88 4.767 -15.774 -9.067 1.00 0.00 C ATOM 1383 NZ LYS A 88 5.536 -16.785 -9.847 1.00 0.00 N ATOM 0 H LYS A 88 5.867 -11.585 -9.957 1.00 0.00 H new ATOM 0 HA LYS A 88 3.200 -10.620 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.666 -12.900 -10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.912 -12.058 -11.653 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.213 -13.916 -11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.389 -13.404 -9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.979 -14.620 -9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.559 -15.507 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.458 -15.129 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.150 -16.278 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.127 -17.346 -9.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.875 -17.415 -10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.143 -16.301 -10.540 1.00 0.00 H new ATOM 1397 N LYS A 89 2.350 -11.416 -7.633 1.00 0.00 N ATOM 1398 CA LYS A 89 1.772 -11.899 -6.382 1.00 0.00 C ATOM 1399 C LYS A 89 0.449 -12.610 -6.647 1.00 0.00 C ATOM 1400 O LYS A 89 -0.029 -12.662 -7.780 1.00 0.00 O ATOM 1401 CB LYS A 89 1.529 -10.734 -5.420 1.00 0.00 C ATOM 1402 CG LYS A 89 2.849 -10.010 -5.152 1.00 0.00 C ATOM 1403 CD LYS A 89 3.711 -10.855 -4.212 1.00 0.00 C ATOM 1404 CE LYS A 89 5.171 -10.418 -4.325 1.00 0.00 C ATOM 1405 NZ LYS A 89 6.033 -11.141 -3.346 1.00 0.00 N ATOM 0 H LYS A 89 1.977 -10.524 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 89 2.477 -12.599 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.802 -10.042 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.108 -11.103 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.377 -9.835 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.657 -9.033 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.365 -10.742 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.616 -11.911 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.531 -10.605 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.245 -9.344 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.018 -10.822 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.703 -10.942 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.980 -12.164 -3.526 1.00 0.00 H new ATOM 1419 N ASP A 90 -0.136 -13.160 -5.586 1.00 0.00 N ATOM 1420 CA ASP A 90 -1.406 -13.872 -5.711 1.00 0.00 C ATOM 1421 C ASP A 90 -2.532 -12.905 -6.068 1.00 0.00 C ATOM 1422 O ASP A 90 -3.341 -13.178 -6.955 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.757 -14.590 -4.404 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.650 -13.619 -3.233 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -0.547 -13.433 -2.743 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.671 -13.077 -2.842 1.00 0.00 O ATOM 0 H ASP A 90 0.243 -13.128 -4.640 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.296 -14.608 -6.507 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.768 -14.994 -4.461 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.084 -15.434 -4.251 1.00 0.00 H new ATOM 1431 N THR A 91 -2.576 -11.773 -5.371 1.00 0.00 N ATOM 1432 CA THR A 91 -3.611 -10.776 -5.629 1.00 0.00 C ATOM 1433 C THR A 91 -3.052 -9.646 -6.495 1.00 0.00 C ATOM 1434 O THR A 91 -1.885 -9.278 -6.364 1.00 0.00 O ATOM 1435 CB THR A 91 -4.130 -10.188 -4.314 1.00 0.00 C ATOM 1436 OG1 THR A 91 -3.107 -10.256 -3.330 1.00 0.00 O ATOM 1437 CG2 THR A 91 -5.348 -10.986 -3.842 1.00 0.00 C ATOM 0 H THR A 91 -1.917 -11.525 -4.633 1.00 0.00 H new ATOM 0 HA THR A 91 -4.431 -11.267 -6.153 1.00 0.00 H new ATOM 0 HB THR A 91 -4.417 -9.148 -4.469 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.004 -11.183 -3.028 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.717 -10.567 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.132 -10.934 -4.597 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.063 -12.027 -3.686 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.874 -9.076 -7.387 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.436 -7.981 -8.262 1.00 0.00 C ATOM 1447 C PRO A 92 -3.227 -6.682 -7.492 1.00 0.00 C ATOM 1448 O PRO A 92 -2.254 -5.961 -7.716 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.569 -7.839 -9.274 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.773 -8.386 -8.592 1.00 0.00 C ATOM 1451 CD PRO A 92 -5.286 -9.431 -7.627 1.00 0.00 C ATOM 0 HA PRO A 92 -2.474 -8.193 -8.728 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.716 -6.797 -9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.351 -8.389 -10.189 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.313 -7.597 -8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.464 -8.819 -9.315 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.862 -9.418 -6.702 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.379 -10.433 -8.046 1.00 0.00 H new ATOM 1459 N GLN A 93 -4.146 -6.396 -6.571 1.00 0.00 N ATOM 1460 CA GLN A 93 -4.040 -5.185 -5.758 1.00 0.00 C ATOM 1461 C GLN A 93 -2.738 -5.199 -4.957 1.00 0.00 C ATOM 1462 O GLN A 93 -2.168 -4.150 -4.655 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.228 -5.068 -4.796 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.310 -6.315 -3.912 1.00 0.00 C ATOM 1465 CD GLN A 93 -4.461 -6.112 -2.662 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -3.596 -6.931 -2.352 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -4.659 -5.059 -1.919 1.00 0.00 N ATOM 0 H GLN A 93 -4.961 -6.976 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.045 -4.327 -6.430 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.118 -4.179 -4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.153 -4.950 -5.360 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.346 -6.508 -3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.961 -7.188 -4.464 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.376 -4.381 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.097 -4.914 -1.080 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.271 -6.402 -4.627 1.00 0.00 N ATOM 1477 CA HIS A 94 -1.029 -6.548 -3.875 1.00 0.00 C ATOM 1478 C HIS A 94 0.158 -6.193 -4.763 1.00 0.00 C ATOM 1479 O HIS A 94 0.871 -5.220 -4.517 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.871 -7.988 -3.377 1.00 0.00 C ATOM 1481 CG HIS A 94 -0.025 -7.998 -2.135 1.00 0.00 C ATOM 1482 ND1 HIS A 94 -0.093 -9.022 -1.202 1.00 0.00 N ATOM 1483 CD2 HIS A 94 0.913 -7.117 -1.656 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.781 -8.735 -0.220 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.421 -7.585 -0.448 1.00 0.00 N ATOM 0 H HIS A 94 -2.730 -7.281 -4.866 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.063 -5.875 -3.018 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.849 -8.421 -3.167 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.409 -8.603 -4.150 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.211 -6.200 -2.143 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.945 -9.358 0.647 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.130 -7.144 0.138 1.00 0.00 H new ATOM 1493 N SER A 95 0.355 -6.998 -5.810 1.00 0.00 N ATOM 1494 CA SER A 95 1.453 -6.778 -6.760 1.00 0.00 C ATOM 1495 C SER A 95 1.512 -5.320 -7.227 1.00 0.00 C ATOM 1496 O SER A 95 2.571 -4.815 -7.597 1.00 0.00 O ATOM 1497 CB SER A 95 1.280 -7.680 -7.983 1.00 0.00 C ATOM 1498 OG SER A 95 0.206 -7.193 -8.777 1.00 0.00 O ATOM 0 H SER A 95 -0.229 -7.807 -6.023 1.00 0.00 H new ATOM 0 HA SER A 95 2.382 -7.018 -6.243 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.200 -7.700 -8.568 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.080 -8.704 -7.669 1.00 0.00 H new ATOM 0 HG SER A 95 -0.494 -6.832 -8.194 1.00 0.00 H new ATOM 1504 N SER A 96 0.358 -4.655 -7.215 1.00 0.00 N ATOM 1505 CA SER A 96 0.284 -3.259 -7.646 1.00 0.00 C ATOM 1506 C SER A 96 1.225 -2.379 -6.827 1.00 0.00 C ATOM 1507 O SER A 96 1.974 -1.570 -7.374 1.00 0.00 O ATOM 1508 CB SER A 96 -1.143 -2.733 -7.497 1.00 0.00 C ATOM 1509 OG SER A 96 -1.925 -3.189 -8.591 1.00 0.00 O ATOM 0 H SER A 96 -0.531 -5.055 -6.915 1.00 0.00 H new ATOM 0 HA SER A 96 0.585 -3.221 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.574 -3.078 -6.557 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.140 -1.643 -7.465 1.00 0.00 H new ATOM 0 HG SER A 96 -2.139 -4.137 -8.467 1.00 0.00 H new ATOM 1515 N ALA A 97 1.175 -2.542 -5.509 1.00 0.00 N ATOM 1516 CA ALA A 97 2.024 -1.753 -4.618 1.00 0.00 C ATOM 1517 C ALA A 97 3.500 -1.996 -4.920 1.00 0.00 C ATOM 1518 O ALA A 97 4.327 -1.091 -4.810 1.00 0.00 O ATOM 1519 CB ALA A 97 1.751 -2.116 -3.158 1.00 0.00 C ATOM 0 H ALA A 97 0.562 -3.206 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 97 1.790 -0.701 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.392 -1.519 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.706 -1.914 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.960 -3.174 -3.001 1.00 0.00 H new ATOM 1525 N ASP A 98 3.824 -3.229 -5.301 1.00 0.00 N ATOM 1526 CA ASP A 98 5.209 -3.579 -5.614 1.00 0.00 C ATOM 1527 C ASP A 98 5.736 -2.726 -6.765 1.00 0.00 C ATOM 1528 O ASP A 98 6.932 -2.440 -6.844 1.00 0.00 O ATOM 1529 CB ASP A 98 5.320 -5.058 -5.993 1.00 0.00 C ATOM 1530 CG ASP A 98 5.586 -5.886 -4.741 1.00 0.00 C ATOM 1531 OD1 ASP A 98 4.676 -6.023 -3.941 1.00 0.00 O ATOM 1532 OD2 ASP A 98 6.697 -6.371 -4.601 1.00 0.00 O ATOM 0 H ASP A 98 3.157 -3.994 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 98 5.808 -3.389 -4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.400 -5.391 -6.473 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.125 -5.200 -6.714 1.00 0.00 H new ATOM 1537 N PHE A 99 4.836 -2.318 -7.657 1.00 0.00 N ATOM 1538 CA PHE A 99 5.236 -1.492 -8.798 1.00 0.00 C ATOM 1539 C PHE A 99 5.244 -0.016 -8.394 1.00 0.00 C ATOM 1540 O PHE A 99 4.524 0.809 -8.962 1.00 0.00 O ATOM 1541 CB PHE A 99 4.289 -1.670 -10.006 1.00 0.00 C ATOM 1542 CG PHE A 99 3.710 -3.073 -10.071 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.514 -4.192 -9.811 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.362 -3.245 -10.403 1.00 0.00 C ATOM 1545 CE1 PHE A 99 3.965 -5.479 -9.881 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.814 -4.530 -10.473 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.614 -5.647 -10.212 1.00 0.00 C ATOM 0 H PHE A 99 3.841 -2.540 -7.616 1.00 0.00 H new ATOM 0 HA PHE A 99 6.234 -1.815 -9.094 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.478 -0.945 -9.941 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.832 -1.458 -10.927 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.556 -4.062 -9.557 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.743 -2.384 -10.606 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.583 -6.342 -9.680 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.773 -4.660 -10.729 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.190 -6.639 -10.266 1.00 0.00 H new ATOM 1557 N PHE A 100 6.065 0.312 -7.400 1.00 0.00 N ATOM 1558 CA PHE A 100 6.149 1.693 -6.930 1.00 0.00 C ATOM 1559 C PHE A 100 7.350 1.880 -6.006 1.00 0.00 C ATOM 1560 O PHE A 100 8.291 2.608 -6.324 1.00 0.00 O ATOM 1561 CB PHE A 100 4.873 2.074 -6.173 1.00 0.00 C ATOM 1562 CG PHE A 100 4.551 3.530 -6.415 1.00 0.00 C ATOM 1563 CD1 PHE A 100 5.482 4.519 -6.074 1.00 0.00 C ATOM 1564 CD2 PHE A 100 3.322 3.891 -6.979 1.00 0.00 C ATOM 1565 CE1 PHE A 100 5.182 5.869 -6.299 1.00 0.00 C ATOM 1566 CE2 PHE A 100 3.022 5.240 -7.203 1.00 0.00 C ATOM 1567 CZ PHE A 100 3.953 6.229 -6.862 1.00 0.00 C ATOM 0 H PHE A 100 6.672 -0.346 -6.911 1.00 0.00 H new ATOM 0 HA PHE A 100 6.265 2.336 -7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.043 1.449 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.004 1.893 -5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 100 6.430 4.241 -5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.604 3.128 -7.242 1.00 0.00 H new ATOM 0 HE1 PHE A 100 5.900 6.632 -6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 100 2.073 5.518 -7.638 1.00 0.00 H new ATOM 0 HZ PHE A 100 3.722 7.270 -7.034 1.00 0.00 H new ATOM 1577 N LYS A 101 7.301 1.222 -4.852 1.00 0.00 N ATOM 1578 CA LYS A 101 8.381 1.326 -3.873 1.00 0.00 C ATOM 1579 C LYS A 101 9.702 0.828 -4.458 1.00 0.00 C ATOM 1580 O LYS A 101 10.748 1.452 -4.281 1.00 0.00 O ATOM 1581 CB LYS A 101 8.048 0.505 -2.623 1.00 0.00 C ATOM 1582 CG LYS A 101 7.385 1.406 -1.578 1.00 0.00 C ATOM 1583 CD LYS A 101 6.332 0.606 -0.802 1.00 0.00 C ATOM 1584 CE LYS A 101 4.945 0.876 -1.390 1.00 0.00 C ATOM 1585 NZ LYS A 101 4.577 -0.148 -2.408 1.00 0.00 N ATOM 0 H LYS A 101 6.531 0.615 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 101 8.485 2.378 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.382 -0.318 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.956 0.063 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.136 1.798 -0.892 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.919 2.263 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.559 -0.459 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.352 0.885 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.204 0.879 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.928 1.866 -1.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.654 0.092 -2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.299 -0.169 -3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.520 -1.083 -1.956 1.00 0.00 H new ATOM 1599 N CYS A 102 9.646 -0.311 -5.146 1.00 0.00 N ATOM 1600 CA CYS A 102 10.848 -0.899 -5.743 1.00 0.00 C ATOM 1601 C CYS A 102 11.582 0.104 -6.634 1.00 0.00 C ATOM 1602 O CYS A 102 12.718 0.486 -6.356 1.00 0.00 O ATOM 1603 CB CYS A 102 10.487 -2.129 -6.576 1.00 0.00 C ATOM 1604 SG CYS A 102 11.964 -3.148 -6.802 1.00 0.00 S ATOM 0 H CYS A 102 8.790 -0.843 -5.304 1.00 0.00 H new ATOM 0 HA CYS A 102 11.505 -1.187 -4.922 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.706 -2.704 -6.078 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.090 -1.824 -7.544 1.00 0.00 H new ATOM 1609 N VAL A 103 10.923 0.518 -7.713 1.00 0.00 N ATOM 1610 CA VAL A 103 11.525 1.470 -8.647 1.00 0.00 C ATOM 1611 C VAL A 103 11.926 2.767 -7.941 1.00 0.00 C ATOM 1612 O VAL A 103 12.799 3.497 -8.412 1.00 0.00 O ATOM 1613 CB VAL A 103 10.548 1.797 -9.778 1.00 0.00 C ATOM 1614 CG1 VAL A 103 10.260 0.530 -10.586 1.00 0.00 C ATOM 1615 CG2 VAL A 103 9.240 2.330 -9.187 1.00 0.00 C ATOM 0 H VAL A 103 9.982 0.214 -7.962 1.00 0.00 H new ATOM 0 HA VAL A 103 12.421 1.003 -9.057 1.00 0.00 H new ATOM 0 HB VAL A 103 10.988 2.553 -10.429 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.564 0.763 -11.392 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.190 0.149 -11.008 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.821 -0.225 -9.934 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.545 2.563 -9.993 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.801 1.575 -8.536 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.442 3.233 -8.611 1.00 0.00 H new ATOM 1625 N HIS A 104 11.280 3.054 -6.812 1.00 0.00 N ATOM 1626 CA HIS A 104 11.586 4.271 -6.063 1.00 0.00 C ATOM 1627 C HIS A 104 12.805 4.064 -5.168 1.00 0.00 C ATOM 1628 O HIS A 104 13.857 4.666 -5.382 1.00 0.00 O ATOM 1629 CB HIS A 104 10.394 4.681 -5.194 1.00 0.00 C ATOM 1630 CG HIS A 104 9.494 5.598 -5.976 1.00 0.00 C ATOM 1631 ND1 HIS A 104 8.581 5.123 -6.904 1.00 0.00 N ATOM 1632 CD2 HIS A 104 9.358 6.964 -5.981 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.941 6.187 -7.425 1.00 0.00 C ATOM 1634 NE2 HIS A 104 8.378 7.334 -6.897 1.00 0.00 N ATOM 0 H HIS A 104 10.552 2.470 -6.401 1.00 0.00 H new ATOM 0 HA HIS A 104 11.799 5.059 -6.785 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.842 3.797 -4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.744 5.181 -4.291 1.00 0.00 H new ATOM 0 HD1 HIS A 104 8.423 4.145 -7.148 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.925 7.648 -5.367 1.00 0.00 H new ATOM 0 HE1 HIS A 104 7.169 6.121 -8.177 1.00 0.00 H new ATOM 1642 N ASP A 105 12.650 3.209 -4.162 1.00 0.00 N ATOM 1643 CA ASP A 105 13.745 2.929 -3.236 1.00 0.00 C ATOM 1644 C ASP A 105 14.834 2.108 -3.928 1.00 0.00 C ATOM 1645 O ASP A 105 15.056 0.939 -3.608 1.00 0.00 O ATOM 1646 CB ASP A 105 13.229 2.163 -2.014 1.00 0.00 C ATOM 1647 CG ASP A 105 14.334 2.071 -0.968 1.00 0.00 C ATOM 1648 OD1 ASP A 105 15.102 1.124 -1.028 1.00 0.00 O ATOM 1649 OD2 ASP A 105 14.396 2.946 -0.121 1.00 0.00 O ATOM 0 H ASP A 105 11.787 2.702 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 105 14.166 3.880 -2.911 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.359 2.668 -1.596 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.907 1.164 -2.307 1.00 0.00 H new ATOM 1654 N ASN A 106 15.512 2.737 -4.883 1.00 0.00 N ATOM 1655 CA ASN A 106 16.578 2.063 -5.618 1.00 0.00 C ATOM 1656 C ASN A 106 17.927 2.326 -4.957 1.00 0.00 C ATOM 1657 O ASN A 106 18.580 1.410 -4.457 1.00 0.00 O ATOM 1658 CB ASN A 106 16.627 2.558 -7.065 1.00 0.00 C ATOM 1659 CG ASN A 106 17.540 1.651 -7.883 1.00 0.00 C ATOM 1660 OD1 ASN A 106 18.473 2.122 -8.534 1.00 0.00 O ATOM 1661 ND2 ASN A 106 17.324 0.363 -7.889 1.00 0.00 N ATOM 0 H ASN A 106 15.345 3.703 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 106 16.370 0.993 -5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.624 2.563 -7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 106 16.993 3.584 -7.097 1.00 0.00 H new ATOM 0 HD21 ASN A 106 17.928 -0.253 -8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.551 -0.027 -7.350 1.00 0.00 H new ATOM 1668 N ARG A 107 18.336 3.591 -4.959 1.00 0.00 N ATOM 1669 CA ARG A 107 19.610 3.972 -4.356 1.00 0.00 C ATOM 1670 C ARG A 107 19.636 5.473 -4.073 1.00 0.00 C ATOM 1671 O ARG A 107 20.308 6.242 -4.761 1.00 0.00 O ATOM 1672 CB ARG A 107 20.771 3.611 -5.286 1.00 0.00 C ATOM 1673 CG ARG A 107 21.268 2.202 -4.957 1.00 0.00 C ATOM 1674 CD ARG A 107 22.764 2.103 -5.264 1.00 0.00 C ATOM 1675 NE ARG A 107 23.354 0.953 -4.585 1.00 0.00 N ATOM 1676 CZ ARG A 107 24.661 0.896 -4.342 1.00 0.00 C ATOM 1677 NH1 ARG A 107 25.232 1.829 -3.631 1.00 0.00 N ATOM 1678 NH2 ARG A 107 25.370 -0.091 -4.817 1.00 0.00 N ATOM 0 H ARG A 107 17.810 4.364 -5.367 1.00 0.00 H new ATOM 0 HA ARG A 107 19.719 3.427 -3.418 1.00 0.00 H new ATOM 0 HB2 ARG A 107 20.447 3.661 -6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 107 21.581 4.331 -5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 107 21.086 1.977 -3.906 1.00 0.00 H new ATOM 0 HG3 ARG A 107 20.717 1.465 -5.541 1.00 0.00 H new ATOM 0 HD2 ARG A 107 22.915 2.013 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 107 23.267 3.017 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 107 22.755 0.181 -4.292 1.00 0.00 H new ATOM 0 HH11 ARG A 107 24.677 2.601 -3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 107 26.234 1.786 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 107 24.922 -0.819 -5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 107 26.372 -0.135 -4.631 1.00 0.00 H new ATOM 1692 N SER A 108 18.890 5.881 -3.049 1.00 0.00 N ATOM 1693 CA SER A 108 18.829 7.291 -2.677 1.00 0.00 C ATOM 1694 C SER A 108 19.995 7.651 -1.762 1.00 0.00 C ATOM 1695 O SER A 108 20.753 6.758 -1.421 1.00 0.00 O ATOM 1696 CB SER A 108 17.516 7.600 -1.957 1.00 0.00 C ATOM 1697 OG SER A 108 16.524 7.943 -2.917 1.00 0.00 O ATOM 1698 OXT SER A 108 20.113 8.815 -1.416 1.00 0.00 O ATOM 0 H SER A 108 18.325 5.262 -2.468 1.00 0.00 H new ATOM 0 HA SER A 108 18.888 7.882 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 108 17.194 6.735 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 108 17.658 8.421 -1.254 1.00 0.00 H new ATOM 0 HG SER A 108 15.680 8.140 -2.459 1.00 0.00 H new TER 1704 SER A 108