USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 30:sc= -0.108 USER MOD Set 1.2: A 97 THR OG1 : rot -87:sc= -0.518 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -149:sc= -0.159 (180deg=-1.22) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-9.9!) USER MOD Single : A 39 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00494 USER MOD Single : A 53 SER OG : rot 107:sc= 0.246 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 41:sc= -0.43 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -161:sc= -0.0343 (180deg=-0.522) USER MOD Single : A 70 THR OG1 : rot -69:sc= 1.08 USER MOD Single : A 72 SER OG : rot 180:sc= 0.00195 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -97:sc= 1.49 USER MOD Single : A 80 ASN : amide:sc= -0.0452 K(o=-0.045,f=-1.5!) USER MOD Single : A 81 THR OG1 : rot 74:sc= 1.13 USER MOD Single : A 83 CYS SG : rot 110:sc= -0.571 USER MOD Single : A 87 CYS SG : rot 88:sc= -0.236 USER MOD Single : A 89 HIS : no HD1:sc= 0.837 K(o=0.84,f=-2.7!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.0196 K(o=-0.02,f=-2.8!) USER MOD Single : A 107 HIS : no HD1:sc= 0.507 K(o=0.51,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 4.694 7.249 -3.980 1.00 25.11 N ATOM 103 CA ARG A 9 5.769 8.137 -4.403 1.00 12.30 C ATOM 104 C ARG A 9 6.556 7.526 -5.559 1.00 72.05 C ATOM 105 O ARG A 9 6.156 6.513 -6.129 1.00 64.32 O ATOM 106 CB ARG A 9 6.707 8.430 -3.231 1.00 11.45 C ATOM 107 CG ARG A 9 6.906 9.914 -2.966 1.00 32.43 C ATOM 108 CD ARG A 9 5.863 10.451 -1.999 1.00 61.02 C ATOM 109 NE ARG A 9 6.003 9.871 -0.666 1.00 62.02 N ATOM 110 CZ ARG A 9 5.113 10.039 0.306 1.00 50.20 C ATOM 111 NH1 ARG A 9 4.025 10.767 0.095 1.00 3.53 N ATOM 112 NH2 ARG A 9 5.310 9.479 1.493 1.00 21.50 N ATOM 0 HA ARG A 9 5.322 9.071 -4.744 1.00 12.30 H new ATOM 0 HB2 ARG A 9 6.309 7.959 -2.332 1.00 11.45 H new ATOM 0 HB3 ARG A 9 7.676 7.972 -3.429 1.00 11.45 H new ATOM 0 HG2 ARG A 9 7.903 10.082 -2.558 1.00 32.43 H new ATOM 0 HG3 ARG A 9 6.850 10.463 -3.906 1.00 32.43 H new ATOM 0 HD2 ARG A 9 5.953 11.535 -1.934 1.00 61.02 H new ATOM 0 HD3 ARG A 9 4.866 10.237 -2.385 1.00 61.02 H new ATOM 0 HE ARG A 9 6.829 9.306 -0.471 1.00 62.02 H new ATOM 0 HH11 ARG A 9 3.870 11.200 -0.815 1.00 3.53 H new ATOM 0 HH12 ARG A 9 3.343 10.894 0.843 1.00 3.53 H new ATOM 0 HH21 ARG A 9 6.146 8.919 1.660 1.00 21.50 H new ATOM 0 HH22 ARG A 9 4.626 9.609 2.238 1.00 21.50 H new ATOM 126 N GLY A 10 7.680 8.151 -5.899 1.00 11.22 N ATOM 127 CA GLY A 10 8.505 7.656 -6.985 1.00 23.11 C ATOM 128 C GLY A 10 9.428 6.536 -6.547 1.00 42.24 C ATOM 129 O GLY A 10 9.198 5.370 -6.868 1.00 64.33 O ATOM 0 H GLY A 10 8.033 8.991 -5.441 1.00 11.22 H new ATOM 0 HA2 GLY A 10 7.864 7.300 -7.791 1.00 23.11 H new ATOM 0 HA3 GLY A 10 9.099 8.476 -7.389 1.00 23.11 H new ATOM 133 N LYS A 11 10.478 6.889 -5.813 1.00 24.15 N ATOM 134 CA LYS A 11 11.440 5.906 -5.330 1.00 22.31 C ATOM 135 C LYS A 11 10.774 4.913 -4.383 1.00 71.43 C ATOM 136 O LYS A 11 11.208 3.767 -4.262 1.00 71.30 O ATOM 137 CB LYS A 11 12.602 6.604 -4.621 1.00 51.20 C ATOM 138 CG LYS A 11 13.958 5.993 -4.927 1.00 12.22 C ATOM 139 CD LYS A 11 15.088 6.808 -4.319 1.00 24.12 C ATOM 140 CE LYS A 11 16.341 5.969 -4.130 1.00 33.31 C ATOM 141 NZ LYS A 11 17.533 6.810 -3.833 1.00 1.24 N ATOM 0 H LYS A 11 10.684 7.850 -5.540 1.00 24.15 H new ATOM 0 HA LYS A 11 11.825 5.358 -6.190 1.00 22.31 H new ATOM 0 HB2 LYS A 11 12.613 7.655 -4.909 1.00 51.20 H new ATOM 0 HB3 LYS A 11 12.433 6.570 -3.545 1.00 51.20 H new ATOM 0 HG2 LYS A 11 13.994 4.974 -4.541 1.00 12.22 H new ATOM 0 HG3 LYS A 11 14.094 5.930 -6.007 1.00 12.22 H new ATOM 0 HD2 LYS A 11 15.312 7.658 -4.963 1.00 24.12 H new ATOM 0 HD3 LYS A 11 14.771 7.211 -3.357 1.00 24.12 H new ATOM 0 HE2 LYS A 11 16.184 5.261 -3.316 1.00 33.31 H new ATOM 0 HE3 LYS A 11 16.525 5.384 -5.031 1.00 33.31 H new ATOM 0 HZ1 LYS A 11 18.366 6.200 -3.711 1.00 1.24 H new ATOM 0 HZ2 LYS A 11 17.698 7.469 -4.621 1.00 1.24 H new ATOM 0 HZ3 LYS A 11 17.368 7.350 -2.959 1.00 1.24 H new ATOM 155 N LYS A 12 9.718 5.360 -3.712 1.00 25.34 N ATOM 156 CA LYS A 12 8.990 4.510 -2.777 1.00 43.11 C ATOM 157 C LYS A 12 8.145 3.481 -3.521 1.00 24.51 C ATOM 158 O LYS A 12 7.982 2.350 -3.063 1.00 53.21 O ATOM 159 CB LYS A 12 8.095 5.362 -1.874 1.00 74.35 C ATOM 160 CG LYS A 12 8.842 6.463 -1.141 1.00 34.54 C ATOM 161 CD LYS A 12 8.740 6.300 0.366 1.00 62.11 C ATOM 162 CE LYS A 12 9.980 6.830 1.070 1.00 30.55 C ATOM 163 NZ LYS A 12 9.934 6.580 2.537 1.00 3.22 N ATOM 0 H LYS A 12 9.347 6.306 -3.798 1.00 25.34 H new ATOM 0 HA LYS A 12 9.719 3.980 -2.163 1.00 43.11 H new ATOM 0 HB2 LYS A 12 7.305 5.810 -2.478 1.00 74.35 H new ATOM 0 HB3 LYS A 12 7.610 4.715 -1.143 1.00 74.35 H new ATOM 0 HG2 LYS A 12 9.891 6.453 -1.439 1.00 34.54 H new ATOM 0 HG3 LYS A 12 8.438 7.433 -1.431 1.00 34.54 H new ATOM 0 HD2 LYS A 12 7.859 6.828 0.731 1.00 62.11 H new ATOM 0 HD3 LYS A 12 8.604 5.247 0.611 1.00 62.11 H new ATOM 0 HE2 LYS A 12 10.867 6.357 0.649 1.00 30.55 H new ATOM 0 HE3 LYS A 12 10.072 7.901 0.887 1.00 30.55 H new ATOM 0 HZ1 LYS A 12 10.796 6.956 2.980 1.00 3.22 H new ATOM 0 HZ2 LYS A 12 9.102 7.052 2.944 1.00 3.22 H new ATOM 0 HZ3 LYS A 12 9.872 5.557 2.713 1.00 3.22 H new ATOM 177 N ALA A 13 7.611 3.879 -4.671 1.00 44.34 N ATOM 178 CA ALA A 13 6.786 2.990 -5.479 1.00 32.44 C ATOM 179 C ALA A 13 7.539 1.710 -5.829 1.00 11.51 C ATOM 180 O ALA A 13 6.970 0.619 -5.811 1.00 22.14 O ATOM 181 CB ALA A 13 6.330 3.699 -6.746 1.00 52.21 C ATOM 0 H ALA A 13 7.735 4.812 -5.064 1.00 44.34 H new ATOM 0 HA ALA A 13 5.909 2.716 -4.893 1.00 32.44 H new ATOM 0 HB1 ALA A 13 5.715 3.023 -7.340 1.00 52.21 H new ATOM 0 HB2 ALA A 13 5.747 4.581 -6.480 1.00 52.21 H new ATOM 0 HB3 ALA A 13 7.201 4.002 -7.327 1.00 52.21 H new ATOM 187 N ASP A 14 8.821 1.853 -6.149 1.00 60.02 N ATOM 188 CA ASP A 14 9.652 0.708 -6.503 1.00 42.01 C ATOM 189 C ASP A 14 9.682 -0.313 -5.369 1.00 71.10 C ATOM 190 O ASP A 14 9.245 -1.451 -5.536 1.00 75.02 O ATOM 191 CB ASP A 14 11.073 1.166 -6.831 1.00 33.55 C ATOM 192 CG ASP A 14 11.303 1.317 -8.322 1.00 21.13 C ATOM 193 OD1 ASP A 14 10.310 1.485 -9.062 1.00 40.24 O ATOM 194 OD2 ASP A 14 12.475 1.267 -8.751 1.00 44.41 O ATOM 0 H ASP A 14 9.307 2.750 -6.170 1.00 60.02 H new ATOM 0 HA ASP A 14 9.219 0.233 -7.383 1.00 42.01 H new ATOM 0 HB2 ASP A 14 11.267 2.119 -6.338 1.00 33.55 H new ATOM 0 HB3 ASP A 14 11.786 0.447 -6.427 1.00 33.55 H new ATOM 199 N GLU A 15 10.201 0.103 -4.219 1.00 74.25 N ATOM 200 CA GLU A 15 10.291 -0.777 -3.059 1.00 42.05 C ATOM 201 C GLU A 15 8.946 -1.443 -2.777 1.00 53.22 C ATOM 202 O GLU A 15 8.891 -2.563 -2.267 1.00 1.41 O ATOM 203 CB GLU A 15 10.751 0.009 -1.829 1.00 4.51 C ATOM 204 CG GLU A 15 11.938 -0.615 -1.117 1.00 71.53 C ATOM 205 CD GLU A 15 13.258 -0.289 -1.788 1.00 14.10 C ATOM 206 OE1 GLU A 15 13.501 0.904 -2.067 1.00 14.24 O ATOM 207 OE2 GLU A 15 14.047 -1.225 -2.035 1.00 51.53 O ATOM 0 H GLU A 15 10.566 1.043 -4.065 1.00 74.25 H new ATOM 0 HA GLU A 15 11.023 -1.554 -3.279 1.00 42.05 H new ATOM 0 HB2 GLU A 15 11.012 1.023 -2.133 1.00 4.51 H new ATOM 0 HB3 GLU A 15 9.920 0.090 -1.129 1.00 4.51 H new ATOM 0 HG2 GLU A 15 11.963 -0.265 -0.085 1.00 71.53 H new ATOM 0 HG3 GLU A 15 11.809 -1.697 -1.083 1.00 71.53 H new ATOM 214 N LEU A 16 7.866 -0.746 -3.111 1.00 20.03 N ATOM 215 CA LEU A 16 6.522 -1.268 -2.895 1.00 23.51 C ATOM 216 C LEU A 16 6.198 -2.372 -3.897 1.00 32.40 C ATOM 217 O LEU A 16 5.710 -3.438 -3.524 1.00 64.12 O ATOM 218 CB LEU A 16 5.492 -0.144 -3.008 1.00 11.40 C ATOM 219 CG LEU A 16 4.042 -0.527 -2.705 1.00 53.44 C ATOM 220 CD1 LEU A 16 3.370 -1.093 -3.946 1.00 11.50 C ATOM 221 CD2 LEU A 16 3.984 -1.527 -1.560 1.00 32.45 C ATOM 0 H LEU A 16 7.895 0.182 -3.533 1.00 20.03 H new ATOM 0 HA LEU A 16 6.481 -1.690 -1.891 1.00 23.51 H new ATOM 0 HB2 LEU A 16 5.784 0.658 -2.330 1.00 11.40 H new ATOM 0 HB3 LEU A 16 5.536 0.261 -4.019 1.00 11.40 H new ATOM 0 HG LEU A 16 3.503 0.371 -2.404 1.00 53.44 H new ATOM 0 HD11 LEU A 16 2.339 -1.360 -3.712 1.00 11.50 H new ATOM 0 HD12 LEU A 16 3.380 -0.345 -4.738 1.00 11.50 H new ATOM 0 HD13 LEU A 16 3.908 -1.981 -4.278 1.00 11.50 H new ATOM 0 HD21 LEU A 16 2.945 -1.789 -1.358 1.00 32.45 H new ATOM 0 HD22 LEU A 16 4.538 -2.425 -1.833 1.00 32.45 H new ATOM 0 HD23 LEU A 16 4.427 -1.085 -0.668 1.00 32.45 H new ATOM 233 N GLU A 17 6.476 -2.109 -5.170 1.00 12.11 N ATOM 234 CA GLU A 17 6.216 -3.081 -6.225 1.00 70.51 C ATOM 235 C GLU A 17 7.257 -4.196 -6.206 1.00 61.00 C ATOM 236 O GLU A 17 7.117 -5.203 -6.901 1.00 22.41 O ATOM 237 CB GLU A 17 6.213 -2.395 -7.593 1.00 41.44 C ATOM 238 CG GLU A 17 4.960 -2.667 -8.408 1.00 62.41 C ATOM 239 CD GLU A 17 5.270 -3.181 -9.800 1.00 72.03 C ATOM 240 OE1 GLU A 17 6.303 -2.767 -10.368 1.00 3.45 O ATOM 241 OE2 GLU A 17 4.481 -3.996 -10.322 1.00 73.43 O ATOM 0 H GLU A 17 6.881 -1.231 -5.495 1.00 12.11 H new ATOM 0 HA GLU A 17 5.235 -3.520 -6.045 1.00 70.51 H new ATOM 0 HB2 GLU A 17 6.317 -1.319 -7.451 1.00 41.44 H new ATOM 0 HB3 GLU A 17 7.083 -2.728 -8.159 1.00 41.44 H new ATOM 0 HG2 GLU A 17 4.342 -3.397 -7.885 1.00 62.41 H new ATOM 0 HG3 GLU A 17 4.375 -1.750 -8.485 1.00 62.41 H new ATOM 248 N ARG A 18 8.302 -4.009 -5.407 1.00 54.42 N ATOM 249 CA ARG A 18 9.368 -4.997 -5.298 1.00 14.03 C ATOM 250 C ARG A 18 8.981 -6.111 -4.330 1.00 42.30 C ATOM 251 O ARG A 18 9.455 -7.242 -4.447 1.00 3.05 O ATOM 252 CB ARG A 18 10.665 -4.332 -4.834 1.00 15.41 C ATOM 253 CG ARG A 18 11.802 -5.312 -4.597 1.00 70.31 C ATOM 254 CD ARG A 18 13.129 -4.757 -5.092 1.00 44.11 C ATOM 255 NE ARG A 18 14.171 -5.779 -5.126 1.00 3.21 N ATOM 256 CZ ARG A 18 15.280 -5.674 -5.850 1.00 54.13 C ATOM 257 NH1 ARG A 18 15.490 -4.598 -6.596 1.00 60.34 N ATOM 258 NH2 ARG A 18 16.182 -6.646 -5.828 1.00 33.33 N ATOM 0 H ARG A 18 8.433 -3.182 -4.825 1.00 54.42 H new ATOM 0 HA ARG A 18 9.525 -5.434 -6.284 1.00 14.03 H new ATOM 0 HB2 ARG A 18 10.976 -3.602 -5.581 1.00 15.41 H new ATOM 0 HB3 ARG A 18 10.472 -3.783 -3.912 1.00 15.41 H new ATOM 0 HG2 ARG A 18 11.875 -5.536 -3.533 1.00 70.31 H new ATOM 0 HG3 ARG A 18 11.586 -6.251 -5.107 1.00 70.31 H new ATOM 0 HD2 ARG A 18 12.998 -4.340 -6.090 1.00 44.11 H new ATOM 0 HD3 ARG A 18 13.444 -3.939 -4.444 1.00 44.11 H new ATOM 0 HE ARG A 18 14.040 -6.620 -4.563 1.00 3.21 H new ATOM 0 HH11 ARG A 18 14.799 -3.848 -6.615 1.00 60.34 H new ATOM 0 HH12 ARG A 18 16.342 -4.520 -7.151 1.00 60.34 H new ATOM 0 HH21 ARG A 18 16.025 -7.475 -5.255 1.00 33.33 H new ATOM 0 HH22 ARG A 18 17.033 -6.565 -6.384 1.00 33.33 H new ATOM 272 N ILE A 19 8.118 -5.783 -3.375 1.00 62.23 N ATOM 273 CA ILE A 19 7.666 -6.756 -2.387 1.00 33.24 C ATOM 274 C ILE A 19 6.761 -7.805 -3.022 1.00 2.44 C ATOM 275 O ILE A 19 5.852 -7.475 -3.784 1.00 22.24 O ATOM 276 CB ILE A 19 6.912 -6.075 -1.230 1.00 30.02 C ATOM 277 CG1 ILE A 19 7.818 -5.063 -0.527 1.00 41.31 C ATOM 278 CG2 ILE A 19 6.405 -7.116 -0.243 1.00 42.33 C ATOM 279 CD1 ILE A 19 7.073 -3.870 0.032 1.00 4.23 C ATOM 0 H ILE A 19 7.718 -4.852 -3.264 1.00 62.23 H new ATOM 0 HA ILE A 19 8.558 -7.242 -1.992 1.00 33.24 H new ATOM 0 HB ILE A 19 6.054 -5.542 -1.639 1.00 30.02 H new ATOM 0 HG12 ILE A 19 8.347 -5.563 0.284 1.00 41.31 H new ATOM 0 HG13 ILE A 19 8.573 -4.712 -1.231 1.00 41.31 H new ATOM 0 HG21 ILE A 19 5.874 -6.619 0.569 1.00 42.33 H new ATOM 0 HG22 ILE A 19 5.728 -7.802 -0.753 1.00 42.33 H new ATOM 0 HG23 ILE A 19 7.249 -7.674 0.163 1.00 42.33 H new ATOM 0 HD11 ILE A 19 7.778 -3.195 0.516 1.00 4.23 H new ATOM 0 HD12 ILE A 19 6.566 -3.345 -0.778 1.00 4.23 H new ATOM 0 HD13 ILE A 19 6.337 -4.209 0.761 1.00 4.23 H new ATOM 291 N ARG A 20 7.015 -9.070 -2.703 1.00 44.22 N ATOM 292 CA ARG A 20 6.222 -10.168 -3.242 1.00 13.45 C ATOM 293 C ARG A 20 5.114 -10.567 -2.272 1.00 53.41 C ATOM 294 O ARG A 20 5.333 -10.645 -1.062 1.00 34.20 O ATOM 295 CB ARG A 20 7.116 -11.374 -3.537 1.00 44.11 C ATOM 296 CG ARG A 20 7.691 -11.377 -4.944 1.00 51.34 C ATOM 297 CD ARG A 20 9.119 -11.898 -4.960 1.00 20.35 C ATOM 298 NE ARG A 20 9.169 -13.357 -5.018 1.00 4.30 N ATOM 299 CZ ARG A 20 10.258 -14.043 -5.347 1.00 10.12 C ATOM 300 NH1 ARG A 20 11.382 -13.405 -5.646 1.00 31.34 N ATOM 301 NH2 ARG A 20 10.224 -15.369 -5.378 1.00 52.14 N ATOM 0 H ARG A 20 7.764 -9.360 -2.074 1.00 44.22 H new ATOM 0 HA ARG A 20 5.763 -9.829 -4.171 1.00 13.45 H new ATOM 0 HB2 ARG A 20 7.936 -11.392 -2.819 1.00 44.11 H new ATOM 0 HB3 ARG A 20 6.540 -12.287 -3.387 1.00 44.11 H new ATOM 0 HG2 ARG A 20 7.069 -11.996 -5.591 1.00 51.34 H new ATOM 0 HG3 ARG A 20 7.667 -10.366 -5.351 1.00 51.34 H new ATOM 0 HD2 ARG A 20 9.647 -11.483 -5.819 1.00 20.35 H new ATOM 0 HD3 ARG A 20 9.641 -11.553 -4.068 1.00 20.35 H new ATOM 0 HE ARG A 20 8.321 -13.878 -4.794 1.00 4.30 H new ATOM 0 HH11 ARG A 20 11.411 -12.386 -5.624 1.00 31.34 H new ATOM 0 HH12 ARG A 20 12.217 -13.934 -5.898 1.00 31.34 H new ATOM 0 HH21 ARG A 20 9.361 -15.863 -5.149 1.00 52.14 H new ATOM 0 HH22 ARG A 20 11.061 -15.895 -5.631 1.00 52.14 H new ATOM 315 N LEU A 21 3.926 -10.818 -2.809 1.00 53.23 N ATOM 316 CA LEU A 21 2.783 -11.208 -1.991 1.00 74.34 C ATOM 317 C LEU A 21 3.072 -12.500 -1.234 1.00 72.53 C ATOM 318 O LEU A 21 2.542 -12.726 -0.145 1.00 55.30 O ATOM 319 CB LEU A 21 1.540 -11.382 -2.865 1.00 70.20 C ATOM 320 CG LEU A 21 0.888 -10.094 -3.368 1.00 24.21 C ATOM 321 CD1 LEU A 21 0.077 -10.363 -4.627 1.00 51.10 C ATOM 322 CD2 LEU A 21 0.009 -9.483 -2.287 1.00 63.35 C ATOM 0 H LEU A 21 3.729 -10.758 -3.808 1.00 53.23 H new ATOM 0 HA LEU A 21 2.600 -10.416 -1.265 1.00 74.34 H new ATOM 0 HB2 LEU A 21 1.810 -11.990 -3.728 1.00 70.20 H new ATOM 0 HB3 LEU A 21 0.798 -11.944 -2.298 1.00 70.20 H new ATOM 0 HG LEU A 21 1.676 -9.382 -3.612 1.00 24.21 H new ATOM 0 HD11 LEU A 21 -0.380 -9.435 -4.971 1.00 51.10 H new ATOM 0 HD12 LEU A 21 0.732 -10.755 -5.405 1.00 51.10 H new ATOM 0 HD13 LEU A 21 -0.703 -11.092 -4.408 1.00 51.10 H new ATOM 0 HD21 LEU A 21 -0.447 -8.567 -2.663 1.00 63.35 H new ATOM 0 HD22 LEU A 21 -0.773 -10.190 -2.011 1.00 63.35 H new ATOM 0 HD23 LEU A 21 0.616 -9.253 -1.411 1.00 63.35 H new ATOM 334 N ARG A 22 3.916 -13.345 -1.817 1.00 71.34 N ATOM 335 CA ARG A 22 4.276 -14.615 -1.197 1.00 64.23 C ATOM 336 C ARG A 22 5.791 -14.778 -1.132 1.00 32.13 C ATOM 337 O ARG A 22 6.543 -14.110 -1.843 1.00 61.24 O ATOM 338 CB ARG A 22 3.660 -15.780 -1.974 1.00 4.22 C ATOM 339 CG ARG A 22 2.390 -16.329 -1.344 1.00 75.31 C ATOM 340 CD ARG A 22 1.161 -15.972 -2.164 1.00 70.52 C ATOM 341 NE ARG A 22 0.642 -17.121 -2.901 1.00 32.20 N ATOM 342 CZ ARG A 22 -0.202 -17.019 -3.921 1.00 65.33 C ATOM 343 NH1 ARG A 22 -0.622 -15.828 -4.323 1.00 40.30 N ATOM 344 NH2 ARG A 22 -0.630 -18.112 -4.542 1.00 63.43 N ATOM 0 H ARG A 22 4.363 -13.173 -2.718 1.00 71.34 H new ATOM 0 HA ARG A 22 3.883 -14.618 -0.180 1.00 64.23 H new ATOM 0 HB2 ARG A 22 3.439 -15.452 -2.990 1.00 4.22 H new ATOM 0 HB3 ARG A 22 4.394 -16.583 -2.051 1.00 4.22 H new ATOM 0 HG2 ARG A 22 2.466 -17.413 -1.254 1.00 75.31 H new ATOM 0 HG3 ARG A 22 2.283 -15.932 -0.334 1.00 75.31 H new ATOM 0 HD2 ARG A 22 0.385 -15.584 -1.504 1.00 70.52 H new ATOM 0 HD3 ARG A 22 1.411 -15.175 -2.864 1.00 70.52 H new ATOM 0 HE ARG A 22 0.944 -18.053 -2.617 1.00 32.20 H new ATOM 0 HH11 ARG A 22 -0.297 -14.986 -3.848 1.00 40.30 H new ATOM 0 HH12 ARG A 22 -1.270 -15.754 -5.107 1.00 40.30 H new ATOM 0 HH21 ARG A 22 -0.310 -19.031 -4.236 1.00 63.43 H new ATOM 0 HH22 ARG A 22 -1.278 -18.033 -5.325 1.00 63.43 H new ATOM 358 N PRO A 23 6.252 -15.687 -0.260 1.00 52.50 N ATOM 359 CA PRO A 23 7.682 -15.958 -0.082 1.00 72.53 C ATOM 360 C PRO A 23 8.293 -16.663 -1.288 1.00 32.01 C ATOM 361 O PRO A 23 9.463 -16.462 -1.610 1.00 54.42 O ATOM 362 CB PRO A 23 7.719 -16.873 1.145 1.00 64.14 C ATOM 363 CG PRO A 23 6.382 -17.530 1.169 1.00 2.13 C ATOM 364 CD PRO A 23 5.414 -16.519 0.619 1.00 30.33 C ATOM 0 HA PRO A 23 8.259 -15.041 0.034 1.00 72.53 H new ATOM 0 HB2 PRO A 23 8.520 -17.608 1.066 1.00 64.14 H new ATOM 0 HB3 PRO A 23 7.897 -16.304 2.058 1.00 64.14 H new ATOM 0 HG2 PRO A 23 6.383 -18.438 0.566 1.00 2.13 H new ATOM 0 HG3 PRO A 23 6.108 -17.821 2.183 1.00 2.13 H new ATOM 0 HD2 PRO A 23 4.604 -16.997 0.068 1.00 30.33 H new ATOM 0 HD3 PRO A 23 4.955 -15.929 1.412 1.00 30.33 H new ATOM 372 N GLY A 24 7.492 -17.490 -1.954 1.00 20.12 N ATOM 373 CA GLY A 24 7.972 -18.211 -3.118 1.00 53.12 C ATOM 374 C GLY A 24 7.082 -18.016 -4.329 1.00 12.34 C ATOM 375 O GLY A 24 6.934 -18.918 -5.152 1.00 41.33 O ATOM 0 H GLY A 24 6.519 -17.673 -1.708 1.00 20.12 H new ATOM 0 HA2 GLY A 24 8.982 -17.878 -3.356 1.00 53.12 H new ATOM 0 HA3 GLY A 24 8.033 -19.274 -2.883 1.00 53.12 H new ATOM 379 N GLY A 25 6.486 -16.832 -4.438 1.00 32.12 N ATOM 380 CA GLY A 25 5.611 -16.543 -5.560 1.00 15.35 C ATOM 381 C GLY A 25 6.248 -15.603 -6.564 1.00 2.44 C ATOM 382 O GLY A 25 7.436 -15.293 -6.471 1.00 71.44 O ATOM 0 H GLY A 25 6.593 -16.069 -3.770 1.00 32.12 H new ATOM 0 HA2 GLY A 25 5.344 -17.475 -6.058 1.00 15.35 H new ATOM 0 HA3 GLY A 25 4.685 -16.102 -5.191 1.00 15.35 H new ATOM 386 N LYS A 26 5.457 -15.148 -7.530 1.00 24.25 N ATOM 387 CA LYS A 26 5.949 -14.238 -8.558 1.00 35.12 C ATOM 388 C LYS A 26 5.047 -13.014 -8.678 1.00 32.05 C ATOM 389 O LYS A 26 5.121 -12.269 -9.655 1.00 51.21 O ATOM 390 CB LYS A 26 6.034 -14.957 -9.906 1.00 14.33 C ATOM 391 CG LYS A 26 7.233 -15.882 -10.029 1.00 72.15 C ATOM 392 CD LYS A 26 7.178 -16.699 -11.307 1.00 34.35 C ATOM 393 CE LYS A 26 6.365 -17.970 -11.122 1.00 22.53 C ATOM 394 NZ LYS A 26 7.164 -19.054 -10.485 1.00 12.41 N ATOM 0 H LYS A 26 4.472 -15.395 -7.623 1.00 24.25 H new ATOM 0 HA LYS A 26 6.946 -13.906 -8.267 1.00 35.12 H new ATOM 0 HB2 LYS A 26 5.123 -15.535 -10.058 1.00 14.33 H new ATOM 0 HB3 LYS A 26 6.076 -14.214 -10.702 1.00 14.33 H new ATOM 0 HG2 LYS A 26 8.151 -15.294 -10.011 1.00 72.15 H new ATOM 0 HG3 LYS A 26 7.267 -16.551 -9.169 1.00 72.15 H new ATOM 0 HD2 LYS A 26 6.740 -16.099 -12.105 1.00 34.35 H new ATOM 0 HD3 LYS A 26 8.190 -16.956 -11.620 1.00 34.35 H new ATOM 0 HE2 LYS A 26 5.490 -17.755 -10.508 1.00 22.53 H new ATOM 0 HE3 LYS A 26 5.999 -18.311 -12.090 1.00 22.53 H new ATOM 0 HZ1 LYS A 26 6.573 -19.903 -10.377 1.00 12.41 H new ATOM 0 HZ2 LYS A 26 7.985 -19.277 -11.083 1.00 12.41 H new ATOM 0 HZ3 LYS A 26 7.492 -18.739 -9.550 1.00 12.41 H new ATOM 408 N LYS A 27 4.195 -12.811 -7.678 1.00 32.53 N ATOM 409 CA LYS A 27 3.280 -11.677 -7.670 1.00 63.13 C ATOM 410 C LYS A 27 3.737 -10.617 -6.673 1.00 23.21 C ATOM 411 O LYS A 27 4.108 -10.932 -5.543 1.00 54.15 O ATOM 412 CB LYS A 27 1.863 -12.140 -7.325 1.00 72.33 C ATOM 413 CG LYS A 27 1.335 -13.224 -8.248 1.00 73.11 C ATOM 414 CD LYS A 27 -0.181 -13.185 -8.346 1.00 15.14 C ATOM 415 CE LYS A 27 -0.647 -13.249 -9.792 1.00 70.21 C ATOM 416 NZ LYS A 27 -1.972 -12.593 -9.977 1.00 15.13 N ATOM 0 H LYS A 27 4.120 -13.418 -6.862 1.00 32.53 H new ATOM 0 HA LYS A 27 3.278 -11.237 -8.667 1.00 63.13 H new ATOM 0 HB2 LYS A 27 1.850 -12.510 -6.300 1.00 72.33 H new ATOM 0 HB3 LYS A 27 1.191 -11.283 -7.363 1.00 72.33 H new ATOM 0 HG2 LYS A 27 1.768 -13.100 -9.241 1.00 73.11 H new ATOM 0 HG3 LYS A 27 1.652 -14.201 -7.882 1.00 73.11 H new ATOM 0 HD2 LYS A 27 -0.604 -14.021 -7.789 1.00 15.14 H new ATOM 0 HD3 LYS A 27 -0.553 -12.271 -7.883 1.00 15.14 H new ATOM 0 HE2 LYS A 27 0.090 -12.766 -10.433 1.00 70.21 H new ATOM 0 HE3 LYS A 27 -0.710 -14.290 -10.108 1.00 70.21 H new ATOM 0 HZ1 LYS A 27 -2.255 -12.658 -10.976 1.00 15.13 H new ATOM 0 HZ2 LYS A 27 -2.681 -13.070 -9.385 1.00 15.13 H new ATOM 0 HZ3 LYS A 27 -1.906 -11.593 -9.700 1.00 15.13 H new ATOM 430 N LYS A 28 3.706 -9.359 -7.098 1.00 52.22 N ATOM 431 CA LYS A 28 4.113 -8.251 -6.243 1.00 53.43 C ATOM 432 C LYS A 28 2.919 -7.375 -5.879 1.00 22.23 C ATOM 433 O LYS A 28 1.914 -7.352 -6.591 1.00 32.40 O ATOM 434 CB LYS A 28 5.183 -7.407 -6.941 1.00 71.34 C ATOM 435 CG LYS A 28 6.544 -8.080 -7.001 1.00 43.31 C ATOM 436 CD LYS A 28 7.250 -7.793 -8.316 1.00 62.34 C ATOM 437 CE LYS A 28 7.662 -9.078 -9.018 1.00 22.04 C ATOM 438 NZ LYS A 28 8.430 -9.981 -8.116 1.00 24.22 N ATOM 0 H LYS A 28 3.403 -9.081 -8.031 1.00 52.22 H new ATOM 0 HA LYS A 28 4.528 -8.668 -5.325 1.00 53.43 H new ATOM 0 HB2 LYS A 28 4.853 -7.183 -7.955 1.00 71.34 H new ATOM 0 HB3 LYS A 28 5.280 -6.455 -6.420 1.00 71.34 H new ATOM 0 HG2 LYS A 28 7.160 -7.731 -6.172 1.00 43.31 H new ATOM 0 HG3 LYS A 28 6.424 -9.156 -6.878 1.00 43.31 H new ATOM 0 HD2 LYS A 28 6.591 -7.217 -8.966 1.00 62.34 H new ATOM 0 HD3 LYS A 28 8.132 -7.179 -8.131 1.00 62.34 H new ATOM 0 HE2 LYS A 28 6.773 -9.596 -9.379 1.00 22.04 H new ATOM 0 HE3 LYS A 28 8.267 -8.837 -9.892 1.00 22.04 H new ATOM 0 HZ1 LYS A 28 9.111 -10.533 -8.675 1.00 24.22 H new ATOM 0 HZ2 LYS A 28 8.941 -9.414 -7.410 1.00 24.22 H new ATOM 0 HZ3 LYS A 28 7.775 -10.627 -7.632 1.00 24.22 H new ATOM 452 N TYR A 29 3.035 -6.656 -4.768 1.00 23.14 N ATOM 453 CA TYR A 29 1.962 -5.780 -4.309 1.00 13.24 C ATOM 454 C TYR A 29 1.627 -4.732 -5.366 1.00 4.24 C ATOM 455 O TYR A 29 2.497 -4.287 -6.114 1.00 0.53 O ATOM 456 CB TYR A 29 2.362 -5.093 -3.003 1.00 2.33 C ATOM 457 CG TYR A 29 1.989 -5.879 -1.767 1.00 70.43 C ATOM 458 CD1 TYR A 29 0.675 -5.925 -1.318 1.00 54.04 C ATOM 459 CD2 TYR A 29 2.952 -6.577 -1.047 1.00 3.05 C ATOM 460 CE1 TYR A 29 0.330 -6.642 -0.188 1.00 13.33 C ATOM 461 CE2 TYR A 29 2.616 -7.298 0.082 1.00 60.32 C ATOM 462 CZ TYR A 29 1.304 -7.327 0.508 1.00 32.23 C ATOM 463 OH TYR A 29 0.965 -8.044 1.633 1.00 11.54 O ATOM 0 H TYR A 29 3.860 -6.662 -4.169 1.00 23.14 H new ATOM 0 HA TYR A 29 1.076 -6.391 -4.134 1.00 13.24 H new ATOM 0 HB2 TYR A 29 3.439 -4.925 -3.005 1.00 2.33 H new ATOM 0 HB3 TYR A 29 1.887 -4.113 -2.957 1.00 2.33 H new ATOM 0 HD1 TYR A 29 -0.090 -5.391 -1.862 1.00 54.04 H new ATOM 0 HD2 TYR A 29 3.980 -6.555 -1.376 1.00 3.05 H new ATOM 0 HE1 TYR A 29 -0.696 -6.666 0.148 1.00 13.33 H new ATOM 0 HE2 TYR A 29 3.376 -7.836 0.629 1.00 60.32 H new ATOM 0 HH TYR A 29 0.044 -8.368 1.549 1.00 11.54 H new ATOM 473 N ARG A 30 0.357 -4.342 -5.420 1.00 22.24 N ATOM 474 CA ARG A 30 -0.097 -3.348 -6.386 1.00 54.33 C ATOM 475 C ARG A 30 -1.301 -2.580 -5.849 1.00 10.34 C ATOM 476 O ARG A 30 -1.877 -2.945 -4.824 1.00 43.13 O ATOM 477 CB ARG A 30 -0.455 -4.019 -7.713 1.00 73.24 C ATOM 478 CG ARG A 30 0.322 -3.474 -8.899 1.00 11.05 C ATOM 479 CD ARG A 30 -0.506 -3.518 -10.175 1.00 53.34 C ATOM 480 NE ARG A 30 0.230 -2.994 -11.323 1.00 65.25 N ATOM 481 CZ ARG A 30 1.227 -3.642 -11.915 1.00 71.41 C ATOM 482 NH1 ARG A 30 1.606 -4.832 -11.468 1.00 10.12 N ATOM 483 NH2 ARG A 30 1.847 -3.100 -12.955 1.00 32.51 N ATOM 0 H ARG A 30 -0.375 -4.699 -4.806 1.00 22.24 H new ATOM 0 HA ARG A 30 0.717 -2.643 -6.554 1.00 54.33 H new ATOM 0 HB2 ARG A 30 -0.271 -5.090 -7.630 1.00 73.24 H new ATOM 0 HB3 ARG A 30 -1.522 -3.892 -7.899 1.00 73.24 H new ATOM 0 HG2 ARG A 30 0.625 -2.447 -8.696 1.00 11.05 H new ATOM 0 HG3 ARG A 30 1.234 -4.055 -9.036 1.00 11.05 H new ATOM 0 HD2 ARG A 30 -0.808 -4.546 -10.376 1.00 53.34 H new ATOM 0 HD3 ARG A 30 -1.419 -2.939 -10.035 1.00 53.34 H new ATOM 0 HE ARG A 30 -0.036 -2.080 -11.690 1.00 65.25 H new ATOM 0 HH11 ARG A 30 1.132 -5.251 -10.668 1.00 10.12 H new ATOM 0 HH12 ARG A 30 2.372 -5.328 -11.924 1.00 10.12 H new ATOM 0 HH21 ARG A 30 1.558 -2.185 -13.301 1.00 32.51 H new ATOM 0 HH22 ARG A 30 2.612 -3.598 -13.409 1.00 32.51 H new ATOM 497 N LEU A 31 -1.677 -1.516 -6.550 1.00 41.24 N ATOM 498 CA LEU A 31 -2.814 -0.695 -6.144 1.00 74.31 C ATOM 499 C LEU A 31 -4.048 -1.558 -5.900 1.00 55.03 C ATOM 500 O LEU A 31 -4.890 -1.233 -5.062 1.00 30.35 O ATOM 501 CB LEU A 31 -3.115 0.357 -7.213 1.00 23.44 C ATOM 502 CG LEU A 31 -2.312 1.654 -7.124 1.00 32.40 C ATOM 503 CD1 LEU A 31 -1.951 2.155 -8.514 1.00 34.24 C ATOM 504 CD2 LEU A 31 -3.091 2.713 -6.359 1.00 2.43 C ATOM 0 H LEU A 31 -1.212 -1.201 -7.402 1.00 41.24 H new ATOM 0 HA LEU A 31 -2.555 -0.193 -5.212 1.00 74.31 H new ATOM 0 HB2 LEU A 31 -2.940 -0.089 -8.192 1.00 23.44 H new ATOM 0 HB3 LEU A 31 -4.175 0.605 -7.161 1.00 23.44 H new ATOM 0 HG LEU A 31 -1.388 1.450 -6.582 1.00 32.40 H new ATOM 0 HD11 LEU A 31 -1.379 3.079 -8.431 1.00 34.24 H new ATOM 0 HD12 LEU A 31 -1.352 1.403 -9.028 1.00 34.24 H new ATOM 0 HD13 LEU A 31 -2.863 2.342 -9.081 1.00 34.24 H new ATOM 0 HD21 LEU A 31 -2.503 3.629 -6.306 1.00 2.43 H new ATOM 0 HD22 LEU A 31 -4.032 2.914 -6.872 1.00 2.43 H new ATOM 0 HD23 LEU A 31 -3.297 2.355 -5.350 1.00 2.43 H new ATOM 516 N LYS A 32 -4.148 -2.660 -6.635 1.00 60.44 N ATOM 517 CA LYS A 32 -5.277 -3.573 -6.497 1.00 55.14 C ATOM 518 C LYS A 32 -5.480 -3.970 -5.038 1.00 0.10 C ATOM 519 O LYS A 32 -6.600 -3.936 -4.526 1.00 53.40 O ATOM 520 CB LYS A 32 -5.055 -4.823 -7.350 1.00 22.23 C ATOM 521 CG LYS A 32 -6.237 -5.170 -8.239 1.00 13.03 C ATOM 522 CD LYS A 32 -6.306 -6.662 -8.518 1.00 32.42 C ATOM 523 CE LYS A 32 -6.732 -6.943 -9.951 1.00 60.02 C ATOM 524 NZ LYS A 32 -7.383 -8.275 -10.085 1.00 4.02 N ATOM 0 H LYS A 32 -3.460 -2.943 -7.333 1.00 60.44 H new ATOM 0 HA LYS A 32 -6.173 -3.058 -6.844 1.00 55.14 H new ATOM 0 HB2 LYS A 32 -4.173 -4.675 -7.973 1.00 22.23 H new ATOM 0 HB3 LYS A 32 -4.844 -5.668 -6.694 1.00 22.23 H new ATOM 0 HG2 LYS A 32 -7.161 -4.845 -7.760 1.00 13.03 H new ATOM 0 HG3 LYS A 32 -6.157 -4.626 -9.180 1.00 13.03 H new ATOM 0 HD2 LYS A 32 -5.331 -7.113 -8.332 1.00 32.42 H new ATOM 0 HD3 LYS A 32 -7.010 -7.130 -7.830 1.00 32.42 H new ATOM 0 HE2 LYS A 32 -7.421 -6.167 -10.284 1.00 60.02 H new ATOM 0 HE3 LYS A 32 -5.861 -6.897 -10.604 1.00 60.02 H new ATOM 0 HZ1 LYS A 32 -7.659 -8.429 -11.076 1.00 4.02 H new ATOM 0 HZ2 LYS A 32 -6.717 -9.018 -9.792 1.00 4.02 H new ATOM 0 HZ3 LYS A 32 -8.229 -8.310 -9.481 1.00 4.02 H new ATOM 538 N HIS A 33 -4.391 -4.343 -4.373 1.00 31.02 N ATOM 539 CA HIS A 33 -4.450 -4.745 -2.972 1.00 13.41 C ATOM 540 C HIS A 33 -4.795 -3.555 -2.081 1.00 43.01 C ATOM 541 O HIS A 33 -5.425 -3.786 -1.048 1.00 12.15 O ATOM 542 CB HIS A 33 -3.116 -5.352 -2.536 1.00 40.41 C ATOM 543 CG HIS A 33 -2.613 -6.419 -3.461 1.00 40.25 C ATOM 544 ND1 HIS A 33 -1.468 -6.281 -4.216 1.00 23.44 N ATOM 545 CD2 HIS A 33 -3.107 -7.646 -3.748 1.00 54.03 C ATOM 546 CE1 HIS A 33 -1.280 -7.378 -4.928 1.00 10.44 C ATOM 547 NE2 HIS A 33 -2.261 -8.222 -4.661 1.00 1.02 N ATOM 0 H HIS A 33 -3.457 -4.375 -4.782 1.00 31.02 H new ATOM 0 HA HIS A 33 -5.233 -5.496 -2.868 1.00 13.41 H new ATOM 0 HB2 HIS A 33 -2.370 -4.560 -2.469 1.00 40.41 H new ATOM 0 HB3 HIS A 33 -3.227 -5.772 -1.536 1.00 40.41 H new ATOM 0 HD2 HIS A 33 -4.001 -8.089 -3.335 1.00 54.03 H new ATOM 0 HE1 HIS A 33 -0.463 -7.555 -5.612 1.00 10.44 H new ATOM 0 HE2 HIS A 33 -2.371 -9.151 -5.068 1.00 1.02 H new ATOM 555 N ILE A 34 -4.415 -2.333 -2.439 1.00 33.24 N ATOM 556 CA ILE A 34 -4.723 -1.167 -1.622 1.00 54.54 C ATOM 557 C ILE A 34 -6.210 -0.834 -1.675 1.00 22.53 C ATOM 558 O ILE A 34 -6.816 -0.485 -0.663 1.00 2.41 O ATOM 559 CB ILE A 34 -3.917 0.065 -2.071 1.00 13.25 C ATOM 560 CG1 ILE A 34 -2.454 -0.314 -2.313 1.00 63.53 C ATOM 561 CG2 ILE A 34 -4.017 1.173 -1.033 1.00 21.22 C ATOM 562 CD1 ILE A 34 -1.571 0.865 -2.658 1.00 64.34 C ATOM 0 H ILE A 34 -3.893 -2.125 -3.290 1.00 33.24 H new ATOM 0 HA ILE A 34 -4.446 -1.419 -0.598 1.00 54.54 H new ATOM 0 HB ILE A 34 -4.338 0.432 -3.007 1.00 13.25 H new ATOM 0 HG12 ILE A 34 -2.062 -0.802 -1.421 1.00 63.53 H new ATOM 0 HG13 ILE A 34 -2.405 -1.043 -3.122 1.00 63.53 H new ATOM 0 HG21 ILE A 34 -3.441 2.037 -1.366 1.00 21.22 H new ATOM 0 HG22 ILE A 34 -5.061 1.460 -0.906 1.00 21.22 H new ATOM 0 HG23 ILE A 34 -3.620 0.818 -0.082 1.00 21.22 H new ATOM 0 HD11 ILE A 34 -0.549 0.520 -2.816 1.00 64.34 H new ATOM 0 HD12 ILE A 34 -1.938 1.341 -3.568 1.00 64.34 H new ATOM 0 HD13 ILE A 34 -1.589 1.585 -1.840 1.00 64.34 H new ATOM 574 N VAL A 35 -6.793 -0.949 -2.864 1.00 0.32 N ATOM 575 CA VAL A 35 -8.211 -0.664 -3.051 1.00 51.52 C ATOM 576 C VAL A 35 -9.072 -1.545 -2.152 1.00 2.34 C ATOM 577 O VAL A 35 -10.001 -1.066 -1.502 1.00 51.40 O ATOM 578 CB VAL A 35 -8.637 -0.872 -4.516 1.00 40.50 C ATOM 579 CG1 VAL A 35 -10.125 -0.600 -4.683 1.00 23.34 C ATOM 580 CG2 VAL A 35 -7.818 0.017 -5.440 1.00 25.24 C ATOM 0 H VAL A 35 -6.305 -1.238 -3.712 1.00 0.32 H new ATOM 0 HA VAL A 35 -8.362 0.381 -2.782 1.00 51.52 H new ATOM 0 HB VAL A 35 -8.449 -1.911 -4.787 1.00 40.50 H new ATOM 0 HG11 VAL A 35 -10.408 -0.752 -5.725 1.00 23.34 H new ATOM 0 HG12 VAL A 35 -10.693 -1.282 -4.050 1.00 23.34 H new ATOM 0 HG13 VAL A 35 -10.341 0.429 -4.395 1.00 23.34 H new ATOM 0 HG21 VAL A 35 -8.132 -0.143 -6.471 1.00 25.24 H new ATOM 0 HG22 VAL A 35 -7.973 1.062 -5.171 1.00 25.24 H new ATOM 0 HG23 VAL A 35 -6.761 -0.230 -5.340 1.00 25.24 H new ATOM 590 N TRP A 36 -8.756 -2.834 -2.121 1.00 44.31 N ATOM 591 CA TRP A 36 -9.501 -3.783 -1.301 1.00 71.12 C ATOM 592 C TRP A 36 -9.331 -3.472 0.182 1.00 34.31 C ATOM 593 O TRP A 36 -10.241 -3.693 0.980 1.00 20.02 O ATOM 594 CB TRP A 36 -9.039 -5.212 -1.592 1.00 53.23 C ATOM 595 CG TRP A 36 -9.743 -6.244 -0.763 1.00 14.44 C ATOM 596 CD1 TRP A 36 -10.942 -6.837 -1.039 1.00 24.13 C ATOM 597 CD2 TRP A 36 -9.292 -6.803 0.475 1.00 2.11 C ATOM 598 NE1 TRP A 36 -11.263 -7.730 -0.046 1.00 25.53 N ATOM 599 CE2 TRP A 36 -10.267 -7.729 0.894 1.00 1.42 C ATOM 600 CE3 TRP A 36 -8.159 -6.612 1.270 1.00 74.25 C ATOM 601 CZ2 TRP A 36 -10.142 -8.459 2.072 1.00 72.24 C ATOM 602 CZ3 TRP A 36 -8.035 -7.338 2.439 1.00 62.24 C ATOM 603 CH2 TRP A 36 -9.022 -8.253 2.831 1.00 74.01 C ATOM 0 H TRP A 36 -7.990 -3.246 -2.653 1.00 44.31 H new ATOM 0 HA TRP A 36 -10.558 -3.692 -1.553 1.00 71.12 H new ATOM 0 HB2 TRP A 36 -9.202 -5.431 -2.647 1.00 53.23 H new ATOM 0 HB3 TRP A 36 -7.966 -5.283 -1.413 1.00 53.23 H new ATOM 0 HD1 TRP A 36 -11.548 -6.634 -1.909 1.00 24.13 H new ATOM 0 HE1 TRP A 36 -12.107 -8.302 -0.014 1.00 25.53 H new ATOM 0 HE3 TRP A 36 -7.394 -5.909 0.976 1.00 74.25 H new ATOM 0 HZ2 TRP A 36 -10.902 -9.163 2.377 1.00 72.24 H new ATOM 0 HZ3 TRP A 36 -7.163 -7.198 3.061 1.00 62.24 H new ATOM 0 HH2 TRP A 36 -8.896 -8.806 3.750 1.00 74.01 H new ATOM 614 N ALA A 37 -8.159 -2.958 0.544 1.00 23.32 N ATOM 615 CA ALA A 37 -7.871 -2.616 1.931 1.00 3.42 C ATOM 616 C ALA A 37 -8.712 -1.428 2.388 1.00 72.53 C ATOM 617 O ALA A 37 -9.475 -1.529 3.349 1.00 2.13 O ATOM 618 CB ALA A 37 -6.391 -2.314 2.103 1.00 72.34 C ATOM 0 H ALA A 37 -7.394 -2.770 -0.104 1.00 23.32 H new ATOM 0 HA ALA A 37 -8.130 -3.473 2.553 1.00 3.42 H new ATOM 0 HB1 ALA A 37 -6.190 -2.060 3.144 1.00 72.34 H new ATOM 0 HB2 ALA A 37 -5.806 -3.190 1.824 1.00 72.34 H new ATOM 0 HB3 ALA A 37 -6.114 -1.475 1.465 1.00 72.34 H new ATOM 624 N ALA A 38 -8.566 -0.304 1.695 1.00 64.03 N ATOM 625 CA ALA A 38 -9.313 0.903 2.029 1.00 62.33 C ATOM 626 C ALA A 38 -10.816 0.666 1.917 1.00 0.53 C ATOM 627 O ALA A 38 -11.593 1.160 2.732 1.00 5.14 O ATOM 628 CB ALA A 38 -8.889 2.053 1.129 1.00 54.22 C ATOM 0 H ALA A 38 -7.937 -0.204 0.898 1.00 64.03 H new ATOM 0 HA ALA A 38 -9.089 1.165 3.063 1.00 62.33 H new ATOM 0 HB1 ALA A 38 -9.455 2.947 1.390 1.00 54.22 H new ATOM 0 HB2 ALA A 38 -7.824 2.246 1.262 1.00 54.22 H new ATOM 0 HB3 ALA A 38 -9.083 1.792 0.089 1.00 54.22 H new ATOM 634 N ASN A 39 -11.217 -0.089 0.899 1.00 70.44 N ATOM 635 CA ASN A 39 -12.627 -0.389 0.680 1.00 40.11 C ATOM 636 C ASN A 39 -13.190 -1.226 1.824 1.00 51.20 C ATOM 637 O ASN A 39 -14.356 -1.086 2.196 1.00 11.31 O ATOM 638 CB ASN A 39 -12.812 -1.128 -0.647 1.00 31.11 C ATOM 639 CG ASN A 39 -14.264 -1.189 -1.078 1.00 45.02 C ATOM 640 OD1 ASN A 39 -14.802 -2.266 -1.336 1.00 2.11 O ATOM 641 ND2 ASN A 39 -14.906 -0.029 -1.158 1.00 43.31 N ATOM 0 H ASN A 39 -10.586 -0.504 0.213 1.00 70.44 H new ATOM 0 HA ASN A 39 -13.172 0.554 0.642 1.00 40.11 H new ATOM 0 HB2 ASN A 39 -12.227 -0.631 -1.421 1.00 31.11 H new ATOM 0 HB3 ASN A 39 -12.421 -2.141 -0.553 1.00 31.11 H new ATOM 0 HD21 ASN A 39 -15.885 -0.007 -1.443 1.00 43.31 H new ATOM 0 HD22 ASN A 39 -14.420 0.839 -0.935 1.00 43.31 H new ATOM 648 N LYS A 40 -12.355 -2.097 2.380 1.00 31.32 N ATOM 649 CA LYS A 40 -12.767 -2.957 3.483 1.00 1.54 C ATOM 650 C LYS A 40 -12.866 -2.163 4.783 1.00 21.44 C ATOM 651 O LYS A 40 -13.736 -2.422 5.615 1.00 33.01 O ATOM 652 CB LYS A 40 -11.779 -4.113 3.653 1.00 34.14 C ATOM 653 CG LYS A 40 -12.001 -5.251 2.671 1.00 74.14 C ATOM 654 CD LYS A 40 -13.256 -6.040 3.008 1.00 74.23 C ATOM 655 CE LYS A 40 -13.565 -7.078 1.940 1.00 15.24 C ATOM 656 NZ LYS A 40 -14.915 -7.678 2.123 1.00 53.32 N ATOM 0 H LYS A 40 -11.387 -2.226 2.084 1.00 31.32 H new ATOM 0 HA LYS A 40 -13.752 -3.361 3.248 1.00 1.54 H new ATOM 0 HB2 LYS A 40 -10.764 -3.733 3.533 1.00 34.14 H new ATOM 0 HB3 LYS A 40 -11.857 -4.500 4.669 1.00 34.14 H new ATOM 0 HG2 LYS A 40 -12.082 -4.851 1.660 1.00 74.14 H new ATOM 0 HG3 LYS A 40 -11.138 -5.916 2.682 1.00 74.14 H new ATOM 0 HD2 LYS A 40 -13.129 -6.534 3.971 1.00 74.23 H new ATOM 0 HD3 LYS A 40 -14.100 -5.358 3.109 1.00 74.23 H new ATOM 0 HE2 LYS A 40 -13.504 -6.615 0.955 1.00 15.24 H new ATOM 0 HE3 LYS A 40 -12.811 -7.865 1.969 1.00 15.24 H new ATOM 0 HZ1 LYS A 40 -15.087 -8.380 1.375 1.00 53.32 H new ATOM 0 HZ2 LYS A 40 -14.965 -8.142 3.052 1.00 53.32 H new ATOM 0 HZ3 LYS A 40 -15.637 -6.931 2.069 1.00 53.32 H new ATOM 670 N LEU A 41 -11.970 -1.197 4.950 1.00 0.31 N ATOM 671 CA LEU A 41 -11.957 -0.365 6.148 1.00 22.13 C ATOM 672 C LEU A 41 -13.250 0.437 6.268 1.00 34.25 C ATOM 673 O LEU A 41 -14.012 0.264 7.218 1.00 63.54 O ATOM 674 CB LEU A 41 -10.757 0.582 6.121 1.00 42.41 C ATOM 675 CG LEU A 41 -9.384 -0.067 6.302 1.00 4.11 C ATOM 676 CD1 LEU A 41 -8.284 0.980 6.225 1.00 64.34 C ATOM 677 CD2 LEU A 41 -9.319 -0.816 7.625 1.00 43.21 C ATOM 0 H LEU A 41 -11.243 -0.970 4.271 1.00 0.31 H new ATOM 0 HA LEU A 41 -11.876 -1.020 7.015 1.00 22.13 H new ATOM 0 HB2 LEU A 41 -10.762 1.115 5.170 1.00 42.41 H new ATOM 0 HB3 LEU A 41 -10.890 1.327 6.905 1.00 42.41 H new ATOM 0 HG LEU A 41 -9.232 -0.783 5.494 1.00 4.11 H new ATOM 0 HD11 LEU A 41 -7.314 0.499 6.356 1.00 64.34 H new ATOM 0 HD12 LEU A 41 -8.317 1.472 5.253 1.00 64.34 H new ATOM 0 HD13 LEU A 41 -8.431 1.721 7.011 1.00 64.34 H new ATOM 0 HD21 LEU A 41 -8.335 -1.272 7.737 1.00 43.21 H new ATOM 0 HD22 LEU A 41 -9.493 -0.120 8.446 1.00 43.21 H new ATOM 0 HD23 LEU A 41 -10.083 -1.594 7.641 1.00 43.21 H new ATOM 689 N ASP A 42 -13.489 1.311 5.297 1.00 42.34 N ATOM 690 CA ASP A 42 -14.692 2.137 5.293 1.00 14.33 C ATOM 691 C ASP A 42 -15.936 1.286 5.523 1.00 4.40 C ATOM 692 O ASP A 42 -16.814 1.653 6.305 1.00 62.41 O ATOM 693 CB ASP A 42 -14.812 2.891 3.968 1.00 3.51 C ATOM 694 CG ASP A 42 -13.933 4.126 3.921 1.00 30.43 C ATOM 695 OD1 ASP A 42 -14.085 4.996 4.803 1.00 50.03 O ATOM 696 OD2 ASP A 42 -13.093 4.221 3.003 1.00 73.40 O ATOM 0 H ASP A 42 -12.867 1.466 4.503 1.00 42.34 H new ATOM 0 HA ASP A 42 -14.612 2.858 6.107 1.00 14.33 H new ATOM 0 HB2 ASP A 42 -14.541 2.225 3.149 1.00 3.51 H new ATOM 0 HB3 ASP A 42 -15.851 3.182 3.812 1.00 3.51 H new ATOM 701 N ARG A 43 -16.006 0.150 4.838 1.00 4.32 N ATOM 702 CA ARG A 43 -17.144 -0.752 4.966 1.00 2.05 C ATOM 703 C ARG A 43 -17.245 -1.301 6.386 1.00 71.31 C ATOM 704 O ARG A 43 -18.219 -1.046 7.094 1.00 11.32 O ATOM 705 CB ARG A 43 -17.024 -1.905 3.968 1.00 73.34 C ATOM 706 CG ARG A 43 -17.576 -1.579 2.591 1.00 12.23 C ATOM 707 CD ARG A 43 -18.772 -2.453 2.249 1.00 63.30 C ATOM 708 NE ARG A 43 -19.184 -2.298 0.857 1.00 32.24 N ATOM 709 CZ ARG A 43 -20.098 -3.064 0.270 1.00 54.41 C ATOM 710 NH1 ARG A 43 -20.692 -4.033 0.953 1.00 44.52 N ATOM 711 NH2 ARG A 43 -20.419 -2.860 -1.001 1.00 74.32 N ATOM 0 H ARG A 43 -15.287 -0.168 4.188 1.00 4.32 H new ATOM 0 HA ARG A 43 -18.050 -0.187 4.748 1.00 2.05 H new ATOM 0 HB2 ARG A 43 -15.975 -2.184 3.873 1.00 73.34 H new ATOM 0 HB3 ARG A 43 -17.550 -2.774 4.364 1.00 73.34 H new ATOM 0 HG2 ARG A 43 -17.869 -0.530 2.554 1.00 12.23 H new ATOM 0 HG3 ARG A 43 -16.796 -1.719 1.843 1.00 12.23 H new ATOM 0 HD2 ARG A 43 -18.524 -3.497 2.439 1.00 63.30 H new ATOM 0 HD3 ARG A 43 -19.605 -2.199 2.904 1.00 63.30 H new ATOM 0 HE ARG A 43 -18.746 -1.561 0.304 1.00 32.24 H new ATOM 0 HH11 ARG A 43 -20.448 -4.192 1.931 1.00 44.52 H new ATOM 0 HH12 ARG A 43 -21.393 -4.620 0.501 1.00 44.52 H new ATOM 0 HH21 ARG A 43 -19.964 -2.115 -1.529 1.00 74.32 H new ATOM 0 HH22 ARG A 43 -21.120 -3.448 -1.451 1.00 74.32 H new ATOM 725 N PHE A 44 -16.232 -2.058 6.795 1.00 51.22 N ATOM 726 CA PHE A 44 -16.206 -2.644 8.130 1.00 24.34 C ATOM 727 C PHE A 44 -16.534 -1.598 9.190 1.00 64.15 C ATOM 728 O PHE A 44 -17.212 -1.888 10.175 1.00 45.41 O ATOM 729 CB PHE A 44 -14.835 -3.262 8.413 1.00 4.00 C ATOM 730 CG PHE A 44 -14.667 -4.638 7.834 1.00 54.03 C ATOM 731 CD1 PHE A 44 -15.602 -5.629 8.085 1.00 42.41 C ATOM 732 CD2 PHE A 44 -13.574 -4.941 7.039 1.00 73.44 C ATOM 733 CE1 PHE A 44 -15.449 -6.896 7.555 1.00 43.03 C ATOM 734 CE2 PHE A 44 -13.415 -6.206 6.506 1.00 72.01 C ATOM 735 CZ PHE A 44 -14.355 -7.184 6.763 1.00 33.52 C ATOM 0 H PHE A 44 -15.419 -2.280 6.221 1.00 51.22 H new ATOM 0 HA PHE A 44 -16.964 -3.426 8.171 1.00 24.34 H new ATOM 0 HB2 PHE A 44 -14.061 -2.610 8.009 1.00 4.00 H new ATOM 0 HB3 PHE A 44 -14.682 -3.309 9.491 1.00 4.00 H new ATOM 0 HD1 PHE A 44 -16.461 -5.409 8.702 1.00 42.41 H new ATOM 0 HD2 PHE A 44 -12.837 -4.179 6.833 1.00 73.44 H new ATOM 0 HE1 PHE A 44 -16.184 -7.660 7.760 1.00 43.03 H new ATOM 0 HE2 PHE A 44 -12.557 -6.429 5.889 1.00 72.01 H new ATOM 0 HZ PHE A 44 -14.235 -8.173 6.345 1.00 33.52 H new ATOM 745 N GLY A 45 -16.046 -0.379 8.981 1.00 62.22 N ATOM 746 CA GLY A 45 -16.296 0.693 9.927 1.00 71.34 C ATOM 747 C GLY A 45 -15.080 1.572 10.143 1.00 32.52 C ATOM 748 O GLY A 45 -15.202 2.716 10.581 1.00 72.31 O ATOM 0 H GLY A 45 -15.482 -0.115 8.173 1.00 62.22 H new ATOM 0 HA2 GLY A 45 -17.123 1.305 9.567 1.00 71.34 H new ATOM 0 HA3 GLY A 45 -16.606 0.266 10.881 1.00 71.34 H new ATOM 752 N LEU A 46 -13.904 1.036 9.837 1.00 71.31 N ATOM 753 CA LEU A 46 -12.659 1.779 10.000 1.00 70.22 C ATOM 754 C LEU A 46 -12.493 2.815 8.893 1.00 31.24 C ATOM 755 O LEU A 46 -13.133 2.725 7.845 1.00 35.50 O ATOM 756 CB LEU A 46 -11.466 0.821 10.001 1.00 71.25 C ATOM 757 CG LEU A 46 -10.989 0.345 11.374 1.00 43.21 C ATOM 758 CD1 LEU A 46 -10.465 -1.080 11.293 1.00 5.24 C ATOM 759 CD2 LEU A 46 -9.918 1.278 11.919 1.00 51.15 C ATOM 0 H LEU A 46 -13.786 0.090 9.475 1.00 71.31 H new ATOM 0 HA LEU A 46 -12.699 2.300 10.956 1.00 70.22 H new ATOM 0 HB2 LEU A 46 -11.728 -0.054 9.406 1.00 71.25 H new ATOM 0 HB3 LEU A 46 -10.632 1.311 9.498 1.00 71.25 H new ATOM 0 HG LEU A 46 -11.838 0.360 12.057 1.00 43.21 H new ATOM 0 HD11 LEU A 46 -10.130 -1.401 12.279 1.00 5.24 H new ATOM 0 HD12 LEU A 46 -11.260 -1.741 10.947 1.00 5.24 H new ATOM 0 HD13 LEU A 46 -9.629 -1.121 10.595 1.00 5.24 H new ATOM 0 HD21 LEU A 46 -9.590 0.924 12.896 1.00 51.15 H new ATOM 0 HD22 LEU A 46 -9.069 1.295 11.236 1.00 51.15 H new ATOM 0 HD23 LEU A 46 -10.327 2.284 12.016 1.00 51.15 H new ATOM 771 N ALA A 47 -11.629 3.796 9.131 1.00 35.50 N ATOM 772 CA ALA A 47 -11.375 4.845 8.152 1.00 71.21 C ATOM 773 C ALA A 47 -10.016 4.659 7.488 1.00 31.02 C ATOM 774 O ALA A 47 -9.157 3.941 8.000 1.00 24.34 O ATOM 775 CB ALA A 47 -11.458 6.213 8.812 1.00 43.10 C ATOM 0 H ALA A 47 -11.093 3.886 9.994 1.00 35.50 H new ATOM 0 HA ALA A 47 -12.140 4.779 7.379 1.00 71.21 H new ATOM 0 HB1 ALA A 47 -11.266 6.987 8.069 1.00 43.10 H new ATOM 0 HB2 ALA A 47 -12.453 6.354 9.234 1.00 43.10 H new ATOM 0 HB3 ALA A 47 -10.714 6.280 9.606 1.00 43.10 H new ATOM 781 N GLU A 48 -9.827 5.310 6.344 1.00 21.22 N ATOM 782 CA GLU A 48 -8.571 5.214 5.609 1.00 10.13 C ATOM 783 C GLU A 48 -7.480 6.039 6.285 1.00 20.34 C ATOM 784 O GLU A 48 -6.330 6.045 5.847 1.00 34.01 O ATOM 785 CB GLU A 48 -8.762 5.686 4.166 1.00 63.12 C ATOM 786 CG GLU A 48 -9.276 7.111 4.054 1.00 70.44 C ATOM 787 CD GLU A 48 -10.683 7.182 3.494 1.00 54.33 C ATOM 788 OE1 GLU A 48 -10.842 7.026 2.266 1.00 33.53 O ATOM 789 OE2 GLU A 48 -11.626 7.394 4.285 1.00 73.12 O ATOM 0 H GLU A 48 -10.527 5.909 5.907 1.00 21.22 H new ATOM 0 HA GLU A 48 -8.261 4.169 5.604 1.00 10.13 H new ATOM 0 HB2 GLU A 48 -7.811 5.609 3.639 1.00 63.12 H new ATOM 0 HB3 GLU A 48 -9.460 5.017 3.663 1.00 63.12 H new ATOM 0 HG2 GLU A 48 -9.257 7.578 5.039 1.00 70.44 H new ATOM 0 HG3 GLU A 48 -8.605 7.686 3.415 1.00 70.44 H new ATOM 796 N SER A 49 -7.850 6.735 7.355 1.00 63.25 N ATOM 797 CA SER A 49 -6.906 7.568 8.090 1.00 33.40 C ATOM 798 C SER A 49 -5.712 6.745 8.566 1.00 20.44 C ATOM 799 O SER A 49 -4.658 7.290 8.894 1.00 71.43 O ATOM 800 CB SER A 49 -7.596 8.225 9.287 1.00 1.24 C ATOM 801 OG SER A 49 -8.850 8.770 8.916 1.00 12.32 O ATOM 0 H SER A 49 -8.798 6.738 7.732 1.00 63.25 H new ATOM 0 HA SER A 49 -6.545 8.345 7.417 1.00 33.40 H new ATOM 0 HB2 SER A 49 -7.736 7.489 10.079 1.00 1.24 H new ATOM 0 HB3 SER A 49 -6.959 9.012 9.691 1.00 1.24 H new ATOM 0 HG SER A 49 -9.272 9.183 9.698 1.00 12.32 H new ATOM 807 N LEU A 50 -5.886 5.427 8.600 1.00 54.34 N ATOM 808 CA LEU A 50 -4.824 4.527 9.036 1.00 12.41 C ATOM 809 C LEU A 50 -4.075 3.950 7.838 1.00 63.43 C ATOM 810 O LEU A 50 -3.569 2.828 7.892 1.00 72.12 O ATOM 811 CB LEU A 50 -5.405 3.394 9.883 1.00 62.34 C ATOM 812 CG LEU A 50 -6.390 3.810 10.975 1.00 72.25 C ATOM 813 CD1 LEU A 50 -6.923 2.588 11.707 1.00 54.34 C ATOM 814 CD2 LEU A 50 -5.729 4.773 11.952 1.00 33.21 C ATOM 0 H LEU A 50 -6.752 4.959 8.331 1.00 54.34 H new ATOM 0 HA LEU A 50 -4.120 5.099 9.640 1.00 12.41 H new ATOM 0 HB2 LEU A 50 -5.906 2.691 9.218 1.00 62.34 H new ATOM 0 HB3 LEU A 50 -4.580 2.857 10.351 1.00 62.34 H new ATOM 0 HG LEU A 50 -7.230 4.321 10.504 1.00 72.25 H new ATOM 0 HD11 LEU A 50 -7.623 2.904 12.481 1.00 54.34 H new ATOM 0 HD12 LEU A 50 -7.434 1.935 11.000 1.00 54.34 H new ATOM 0 HD13 LEU A 50 -6.094 2.048 12.166 1.00 54.34 H new ATOM 0 HD21 LEU A 50 -6.445 5.058 12.722 1.00 33.21 H new ATOM 0 HD22 LEU A 50 -4.871 4.288 12.416 1.00 33.21 H new ATOM 0 HD23 LEU A 50 -5.397 5.663 11.417 1.00 33.21 H new ATOM 826 N LEU A 51 -4.007 4.724 6.761 1.00 32.33 N ATOM 827 CA LEU A 51 -3.317 4.290 5.551 1.00 43.10 C ATOM 828 C LEU A 51 -2.235 5.290 5.153 1.00 72.22 C ATOM 829 O LEU A 51 -1.194 4.910 4.618 1.00 40.23 O ATOM 830 CB LEU A 51 -4.315 4.119 4.404 1.00 42.44 C ATOM 831 CG LEU A 51 -5.207 2.879 4.470 1.00 63.33 C ATOM 832 CD1 LEU A 51 -6.286 2.940 3.400 1.00 70.43 C ATOM 833 CD2 LEU A 51 -4.373 1.614 4.320 1.00 2.53 C ATOM 0 H LEU A 51 -4.421 5.654 6.700 1.00 32.33 H new ATOM 0 HA LEU A 51 -2.842 3.331 5.758 1.00 43.10 H new ATOM 0 HB2 LEU A 51 -4.955 5.001 4.371 1.00 42.44 H new ATOM 0 HB3 LEU A 51 -3.760 4.093 3.466 1.00 42.44 H new ATOM 0 HG LEU A 51 -5.693 2.856 5.445 1.00 63.33 H new ATOM 0 HD11 LEU A 51 -6.911 2.049 3.462 1.00 70.43 H new ATOM 0 HD12 LEU A 51 -6.901 3.826 3.554 1.00 70.43 H new ATOM 0 HD13 LEU A 51 -5.820 2.988 2.416 1.00 70.43 H new ATOM 0 HD21 LEU A 51 -5.024 0.741 4.369 1.00 2.53 H new ATOM 0 HD22 LEU A 51 -3.859 1.629 3.359 1.00 2.53 H new ATOM 0 HD23 LEU A 51 -3.639 1.565 5.124 1.00 2.53 H new ATOM 845 N GLU A 52 -2.490 6.567 5.421 1.00 33.01 N ATOM 846 CA GLU A 52 -1.536 7.620 5.092 1.00 33.12 C ATOM 847 C GLU A 52 -0.791 8.089 6.338 1.00 60.24 C ATOM 848 O GLU A 52 -0.291 9.212 6.390 1.00 21.32 O ATOM 849 CB GLU A 52 -2.254 8.803 4.438 1.00 61.54 C ATOM 850 CG GLU A 52 -3.383 9.370 5.281 1.00 13.52 C ATOM 851 CD GLU A 52 -3.152 10.818 5.667 1.00 2.23 C ATOM 852 OE1 GLU A 52 -2.396 11.062 6.630 1.00 75.43 O ATOM 853 OE2 GLU A 52 -3.728 11.708 5.005 1.00 22.43 O ATOM 0 H GLU A 52 -3.347 6.897 5.864 1.00 33.01 H new ATOM 0 HA GLU A 52 -0.810 7.210 4.389 1.00 33.12 H new ATOM 0 HB2 GLU A 52 -1.529 9.592 4.238 1.00 61.54 H new ATOM 0 HB3 GLU A 52 -2.654 8.487 3.475 1.00 61.54 H new ATOM 0 HG2 GLU A 52 -4.319 9.290 4.729 1.00 13.52 H new ATOM 0 HG3 GLU A 52 -3.494 8.770 6.184 1.00 13.52 H new ATOM 860 N SER A 53 -0.723 7.220 7.342 1.00 22.35 N ATOM 861 CA SER A 53 -0.044 7.545 8.590 1.00 71.22 C ATOM 862 C SER A 53 0.453 6.280 9.284 1.00 52.04 C ATOM 863 O SER A 53 -0.328 5.381 9.596 1.00 32.34 O ATOM 864 CB SER A 53 -0.983 8.314 9.520 1.00 51.22 C ATOM 865 OG SER A 53 -1.380 7.514 10.620 1.00 44.24 O ATOM 0 H SER A 53 -1.130 6.285 7.315 1.00 22.35 H new ATOM 0 HA SER A 53 0.816 8.171 8.354 1.00 71.22 H new ATOM 0 HB2 SER A 53 -0.485 9.214 9.882 1.00 51.22 H new ATOM 0 HB3 SER A 53 -1.864 8.638 8.966 1.00 51.22 H new ATOM 0 HG SER A 53 -0.924 7.823 11.431 1.00 44.24 H new ATOM 871 N LYS A 54 1.759 6.219 9.524 1.00 24.34 N ATOM 872 CA LYS A 54 2.362 5.065 10.181 1.00 54.42 C ATOM 873 C LYS A 54 1.682 4.784 11.517 1.00 54.11 C ATOM 874 O LYS A 54 1.356 3.639 11.828 1.00 22.01 O ATOM 875 CB LYS A 54 3.859 5.302 10.398 1.00 52.24 C ATOM 876 CG LYS A 54 4.505 4.295 11.334 1.00 4.13 C ATOM 877 CD LYS A 54 6.014 4.465 11.380 1.00 1.21 C ATOM 878 CE LYS A 54 6.455 5.192 12.642 1.00 22.33 C ATOM 879 NZ LYS A 54 6.465 4.290 13.826 1.00 74.52 N ATOM 0 H LYS A 54 2.420 6.955 9.273 1.00 24.34 H new ATOM 0 HA LYS A 54 2.227 4.197 9.535 1.00 54.42 H new ATOM 0 HB2 LYS A 54 4.367 5.268 9.434 1.00 52.24 H new ATOM 0 HB3 LYS A 54 4.005 6.305 10.800 1.00 52.24 H new ATOM 0 HG2 LYS A 54 4.094 4.413 12.337 1.00 4.13 H new ATOM 0 HG3 LYS A 54 4.262 3.284 11.007 1.00 4.13 H new ATOM 0 HD2 LYS A 54 6.493 3.487 11.336 1.00 1.21 H new ATOM 0 HD3 LYS A 54 6.345 5.022 10.503 1.00 1.21 H new ATOM 0 HE2 LYS A 54 7.452 5.607 12.493 1.00 22.33 H new ATOM 0 HE3 LYS A 54 5.786 6.031 12.830 1.00 22.33 H new ATOM 0 HZ1 LYS A 54 6.771 4.822 14.665 1.00 74.52 H new ATOM 0 HZ2 LYS A 54 5.508 3.914 13.984 1.00 74.52 H new ATOM 0 HZ3 LYS A 54 7.123 3.503 13.657 1.00 74.52 H new ATOM 893 N GLU A 55 1.473 5.836 12.303 1.00 25.52 N ATOM 894 CA GLU A 55 0.831 5.700 13.605 1.00 63.51 C ATOM 895 C GLU A 55 -0.579 5.131 13.461 1.00 32.31 C ATOM 896 O GLU A 55 -1.098 4.492 14.375 1.00 31.24 O ATOM 897 CB GLU A 55 0.775 7.053 14.315 1.00 51.34 C ATOM 898 CG GLU A 55 1.291 7.013 15.745 1.00 21.24 C ATOM 899 CD GLU A 55 1.098 8.329 16.471 1.00 54.32 C ATOM 900 OE1 GLU A 55 1.288 9.390 15.840 1.00 51.12 O ATOM 901 OE2 GLU A 55 0.757 8.298 17.672 1.00 43.11 O ATOM 0 H GLU A 55 1.739 6.791 12.061 1.00 25.52 H new ATOM 0 HA GLU A 55 1.425 5.008 14.202 1.00 63.51 H new ATOM 0 HB2 GLU A 55 1.360 7.776 13.747 1.00 51.34 H new ATOM 0 HB3 GLU A 55 -0.255 7.409 14.319 1.00 51.34 H new ATOM 0 HG2 GLU A 55 0.777 6.222 16.291 1.00 21.24 H new ATOM 0 HG3 GLU A 55 2.351 6.758 15.738 1.00 21.24 H new ATOM 908 N GLY A 56 -1.191 5.368 12.304 1.00 50.55 N ATOM 909 CA GLY A 56 -2.533 4.874 12.062 1.00 3.45 C ATOM 910 C GLY A 56 -2.559 3.388 11.765 1.00 3.35 C ATOM 911 O GLY A 56 -3.393 2.656 12.298 1.00 3.55 O ATOM 0 H GLY A 56 -0.781 5.893 11.531 1.00 50.55 H new ATOM 0 HA2 GLY A 56 -3.155 5.078 12.934 1.00 3.45 H new ATOM 0 HA3 GLY A 56 -2.971 5.417 11.224 1.00 3.45 H new ATOM 915 N CYS A 57 -1.645 2.942 10.910 1.00 24.43 N ATOM 916 CA CYS A 57 -1.569 1.532 10.540 1.00 54.50 C ATOM 917 C CYS A 57 -1.412 0.655 11.778 1.00 24.35 C ATOM 918 O CYS A 57 -1.785 -0.519 11.767 1.00 44.42 O ATOM 919 CB CYS A 57 -0.399 1.299 9.583 1.00 14.01 C ATOM 920 SG CYS A 57 -0.889 0.664 7.961 1.00 54.05 S ATOM 0 H CYS A 57 -0.947 3.535 10.460 1.00 24.43 H new ATOM 0 HA CYS A 57 -2.498 1.260 10.039 1.00 54.50 H new ATOM 0 HB2 CYS A 57 0.138 2.238 9.447 1.00 14.01 H new ATOM 0 HB3 CYS A 57 0.297 0.597 10.041 1.00 14.01 H new ATOM 0 HG CYS A 57 -1.970 1.269 7.567 1.00 54.05 H new ATOM 926 N GLN A 58 -0.858 1.229 12.839 1.00 51.21 N ATOM 927 CA GLN A 58 -0.650 0.497 14.083 1.00 71.13 C ATOM 928 C GLN A 58 -1.968 0.298 14.824 1.00 52.41 C ATOM 929 O GLN A 58 -2.100 -0.607 15.648 1.00 72.03 O ATOM 930 CB GLN A 58 0.344 1.240 14.976 1.00 74.03 C ATOM 931 CG GLN A 58 0.968 0.364 16.051 1.00 51.02 C ATOM 932 CD GLN A 58 1.142 1.093 17.370 1.00 31.25 C ATOM 933 OE1 GLN A 58 1.716 2.180 17.420 1.00 14.22 O ATOM 934 NE2 GLN A 58 0.645 0.495 18.446 1.00 33.20 N ATOM 0 H GLN A 58 -0.545 2.199 12.863 1.00 51.21 H new ATOM 0 HA GLN A 58 -0.242 -0.483 13.835 1.00 71.13 H new ATOM 0 HB2 GLN A 58 1.136 1.658 14.355 1.00 74.03 H new ATOM 0 HB3 GLN A 58 -0.164 2.079 15.452 1.00 74.03 H new ATOM 0 HG2 GLN A 58 0.343 -0.515 16.206 1.00 51.02 H new ATOM 0 HG3 GLN A 58 1.939 0.008 15.706 1.00 51.02 H new ATOM 0 HE21 GLN A 58 0.177 -0.407 18.358 1.00 33.20 H new ATOM 0 HE22 GLN A 58 0.732 0.937 19.361 1.00 33.20 H new ATOM 943 N LYS A 59 -2.942 1.152 14.527 1.00 24.24 N ATOM 944 CA LYS A 59 -4.252 1.070 15.164 1.00 4.05 C ATOM 945 C LYS A 59 -5.067 -0.082 14.585 1.00 3.52 C ATOM 946 O LYS A 59 -6.029 -0.543 15.200 1.00 25.10 O ATOM 947 CB LYS A 59 -5.011 2.387 14.984 1.00 41.31 C ATOM 948 CG LYS A 59 -4.428 3.538 15.786 1.00 4.24 C ATOM 949 CD LYS A 59 -5.012 3.594 17.187 1.00 72.00 C ATOM 950 CE LYS A 59 -6.467 4.037 17.168 1.00 40.24 C ATOM 951 NZ LYS A 59 -7.285 3.299 18.170 1.00 74.22 N ATOM 0 H LYS A 59 -2.849 1.909 13.849 1.00 24.24 H new ATOM 0 HA LYS A 59 -4.101 0.886 16.228 1.00 4.05 H new ATOM 0 HB2 LYS A 59 -5.012 2.655 13.927 1.00 41.31 H new ATOM 0 HB3 LYS A 59 -6.051 2.241 15.277 1.00 41.31 H new ATOM 0 HG2 LYS A 59 -3.345 3.429 15.846 1.00 4.24 H new ATOM 0 HG3 LYS A 59 -4.625 4.478 15.271 1.00 4.24 H new ATOM 0 HD2 LYS A 59 -4.936 2.612 17.653 1.00 72.00 H new ATOM 0 HD3 LYS A 59 -4.429 4.283 17.798 1.00 72.00 H new ATOM 0 HE2 LYS A 59 -6.524 5.107 17.370 1.00 40.24 H new ATOM 0 HE3 LYS A 59 -6.882 3.878 16.173 1.00 40.24 H new ATOM 0 HZ1 LYS A 59 -8.270 3.630 18.125 1.00 74.22 H new ATOM 0 HZ2 LYS A 59 -7.252 2.280 17.963 1.00 74.22 H new ATOM 0 HZ3 LYS A 59 -6.905 3.471 19.123 1.00 74.22 H new ATOM 965 N ILE A 60 -4.677 -0.542 13.401 1.00 55.13 N ATOM 966 CA ILE A 60 -5.371 -1.641 12.743 1.00 12.05 C ATOM 967 C ILE A 60 -4.816 -2.989 13.191 1.00 11.23 C ATOM 968 O ILE A 60 -5.570 -3.916 13.486 1.00 71.21 O ATOM 969 CB ILE A 60 -5.262 -1.538 11.210 1.00 45.24 C ATOM 970 CG1 ILE A 60 -5.594 -0.118 10.747 1.00 44.23 C ATOM 971 CG2 ILE A 60 -6.186 -2.547 10.544 1.00 21.22 C ATOM 972 CD1 ILE A 60 -5.450 0.081 9.255 1.00 71.11 C ATOM 0 H ILE A 60 -3.884 -0.170 12.878 1.00 55.13 H new ATOM 0 HA ILE A 60 -6.420 -1.569 13.031 1.00 12.05 H new ATOM 0 HB ILE A 60 -4.237 -1.765 10.918 1.00 45.24 H new ATOM 0 HG12 ILE A 60 -6.616 0.121 11.040 1.00 44.23 H new ATOM 0 HG13 ILE A 60 -4.941 0.586 11.264 1.00 44.23 H new ATOM 0 HG21 ILE A 60 -6.098 -2.462 9.461 1.00 21.22 H new ATOM 0 HG22 ILE A 60 -5.907 -3.555 10.853 1.00 21.22 H new ATOM 0 HG23 ILE A 60 -7.216 -2.348 10.841 1.00 21.22 H new ATOM 0 HD11 ILE A 60 -5.701 1.110 8.999 1.00 71.11 H new ATOM 0 HD12 ILE A 60 -4.422 -0.126 8.958 1.00 71.11 H new ATOM 0 HD13 ILE A 60 -6.123 -0.598 8.731 1.00 71.11 H new ATOM 984 N LEU A 61 -3.492 -3.090 13.241 1.00 52.34 N ATOM 985 CA LEU A 61 -2.834 -4.324 13.657 1.00 4.20 C ATOM 986 C LEU A 61 -3.200 -4.680 15.093 1.00 71.13 C ATOM 987 O LEU A 61 -3.273 -5.855 15.455 1.00 53.02 O ATOM 988 CB LEU A 61 -1.316 -4.185 13.523 1.00 61.43 C ATOM 989 CG LEU A 61 -0.784 -3.968 12.107 1.00 32.40 C ATOM 990 CD1 LEU A 61 0.722 -3.759 12.130 1.00 53.14 C ATOM 991 CD2 LEU A 61 -1.147 -5.145 11.214 1.00 63.32 C ATOM 0 H LEU A 61 -2.853 -2.333 12.999 1.00 52.34 H new ATOM 0 HA LEU A 61 -3.178 -5.128 13.006 1.00 4.20 H new ATOM 0 HB2 LEU A 61 -0.992 -3.349 14.143 1.00 61.43 H new ATOM 0 HB3 LEU A 61 -0.852 -5.083 13.930 1.00 61.43 H new ATOM 0 HG LEU A 61 -1.249 -3.071 11.698 1.00 32.40 H new ATOM 0 HD11 LEU A 61 1.084 -3.606 11.113 1.00 53.14 H new ATOM 0 HD12 LEU A 61 0.959 -2.884 12.735 1.00 53.14 H new ATOM 0 HD13 LEU A 61 1.205 -4.637 12.558 1.00 53.14 H new ATOM 0 HD21 LEU A 61 -0.760 -4.973 10.210 1.00 63.32 H new ATOM 0 HD22 LEU A 61 -0.710 -6.058 11.620 1.00 63.32 H new ATOM 0 HD23 LEU A 61 -2.231 -5.249 11.172 1.00 63.32 H new ATOM 1003 N THR A 62 -3.433 -3.656 15.911 1.00 34.53 N ATOM 1004 CA THR A 62 -3.791 -3.861 17.308 1.00 42.44 C ATOM 1005 C THR A 62 -5.136 -4.568 17.432 1.00 25.30 C ATOM 1006 O THR A 62 -5.381 -5.292 18.398 1.00 44.32 O ATOM 1007 CB THR A 62 -3.855 -2.525 18.073 1.00 3.32 C ATOM 1008 OG1 THR A 62 -3.718 -2.758 19.479 1.00 72.51 O ATOM 1009 CG2 THR A 62 -5.168 -1.807 17.799 1.00 24.13 C ATOM 0 H THR A 62 -3.380 -2.677 15.628 1.00 34.53 H new ATOM 0 HA THR A 62 -3.012 -4.486 17.746 1.00 42.44 H new ATOM 0 HB THR A 62 -3.035 -1.895 17.728 1.00 3.32 H new ATOM 0 HG1 THR A 62 -3.758 -1.904 19.958 1.00 72.51 H new ATOM 0 HG21 THR A 62 -5.190 -0.867 18.350 1.00 24.13 H new ATOM 0 HG22 THR A 62 -5.256 -1.605 16.732 1.00 24.13 H new ATOM 0 HG23 THR A 62 -6.000 -2.435 18.119 1.00 24.13 H new ATOM 1017 N VAL A 63 -6.004 -4.357 16.448 1.00 41.25 N ATOM 1018 CA VAL A 63 -7.324 -4.977 16.447 1.00 24.04 C ATOM 1019 C VAL A 63 -7.321 -6.273 15.644 1.00 61.02 C ATOM 1020 O VAL A 63 -7.965 -7.252 16.023 1.00 31.40 O ATOM 1021 CB VAL A 63 -8.389 -4.028 15.864 1.00 42.32 C ATOM 1022 CG1 VAL A 63 -9.744 -4.718 15.806 1.00 13.04 C ATOM 1023 CG2 VAL A 63 -8.468 -2.749 16.685 1.00 20.33 C ATOM 0 H VAL A 63 -5.817 -3.762 15.641 1.00 41.25 H new ATOM 0 HA VAL A 63 -7.572 -5.196 17.486 1.00 24.04 H new ATOM 0 HB VAL A 63 -8.099 -3.763 14.847 1.00 42.32 H new ATOM 0 HG11 VAL A 63 -10.484 -4.033 15.392 1.00 13.04 H new ATOM 0 HG12 VAL A 63 -9.675 -5.603 15.174 1.00 13.04 H new ATOM 0 HG13 VAL A 63 -10.045 -5.013 16.811 1.00 13.04 H new ATOM 0 HG21 VAL A 63 -9.225 -2.090 16.260 1.00 20.33 H new ATOM 0 HG22 VAL A 63 -8.735 -2.993 17.713 1.00 20.33 H new ATOM 0 HG23 VAL A 63 -7.500 -2.247 16.671 1.00 20.33 H new ATOM 1033 N LEU A 64 -6.593 -6.273 14.533 1.00 23.13 N ATOM 1034 CA LEU A 64 -6.505 -7.450 13.675 1.00 24.23 C ATOM 1035 C LEU A 64 -5.693 -8.552 14.346 1.00 33.34 C ATOM 1036 O LEU A 64 -5.931 -9.738 14.119 1.00 23.53 O ATOM 1037 CB LEU A 64 -5.874 -7.081 12.332 1.00 42.41 C ATOM 1038 CG LEU A 64 -6.722 -6.203 11.411 1.00 3.14 C ATOM 1039 CD1 LEU A 64 -6.013 -5.981 10.083 1.00 74.34 C ATOM 1040 CD2 LEU A 64 -8.091 -6.831 11.187 1.00 34.05 C ATOM 0 H LEU A 64 -6.055 -5.471 14.205 1.00 23.13 H new ATOM 0 HA LEU A 64 -7.515 -7.821 13.504 1.00 24.23 H new ATOM 0 HB2 LEU A 64 -4.932 -6.567 12.525 1.00 42.41 H new ATOM 0 HB3 LEU A 64 -5.632 -8.002 11.802 1.00 42.41 H new ATOM 0 HG LEU A 64 -6.862 -5.235 11.892 1.00 3.14 H new ATOM 0 HD11 LEU A 64 -6.631 -5.354 9.441 1.00 74.34 H new ATOM 0 HD12 LEU A 64 -5.057 -5.488 10.259 1.00 74.34 H new ATOM 0 HD13 LEU A 64 -5.842 -6.941 9.597 1.00 74.34 H new ATOM 0 HD21 LEU A 64 -8.681 -6.193 10.529 1.00 34.05 H new ATOM 0 HD22 LEU A 64 -7.970 -7.812 10.728 1.00 34.05 H new ATOM 0 HD23 LEU A 64 -8.603 -6.938 12.143 1.00 34.05 H new ATOM 1052 N ASP A 65 -4.734 -8.154 15.174 1.00 10.12 N ATOM 1053 CA ASP A 65 -3.888 -9.108 15.881 1.00 31.14 C ATOM 1054 C ASP A 65 -4.734 -10.144 16.615 1.00 32.23 C ATOM 1055 O ASP A 65 -4.677 -11.341 16.333 1.00 31.23 O ATOM 1056 CB ASP A 65 -2.979 -8.379 16.871 1.00 71.41 C ATOM 1057 CG ASP A 65 -1.589 -8.140 16.313 1.00 61.24 C ATOM 1058 OD1 ASP A 65 -0.974 -9.107 15.818 1.00 31.40 O ATOM 1059 OD2 ASP A 65 -1.118 -6.985 16.371 1.00 5.35 O ATOM 0 H ASP A 65 -4.523 -7.176 15.372 1.00 10.12 H new ATOM 0 HA ASP A 65 -3.271 -9.624 15.146 1.00 31.14 H new ATOM 0 HB2 ASP A 65 -3.430 -7.423 17.138 1.00 71.41 H new ATOM 0 HB3 ASP A 65 -2.904 -8.963 17.788 1.00 71.41 H new ATOM 1064 N PRO A 66 -5.538 -9.676 17.581 1.00 55.03 N ATOM 1065 CA PRO A 66 -6.410 -10.545 18.376 1.00 30.21 C ATOM 1066 C PRO A 66 -7.563 -11.114 17.558 1.00 2.35 C ATOM 1067 O PRO A 66 -8.268 -12.018 18.005 1.00 11.02 O ATOM 1068 CB PRO A 66 -6.938 -9.613 19.470 1.00 3.52 C ATOM 1069 CG PRO A 66 -6.859 -8.249 18.875 1.00 53.01 C ATOM 1070 CD PRO A 66 -5.657 -8.261 17.972 1.00 2.05 C ATOM 0 HA PRO A 66 -5.878 -11.416 18.759 1.00 30.21 H new ATOM 0 HB2 PRO A 66 -7.962 -9.866 19.746 1.00 3.52 H new ATOM 0 HB3 PRO A 66 -6.337 -9.685 20.376 1.00 3.52 H new ATOM 0 HG2 PRO A 66 -7.765 -8.014 18.316 1.00 53.01 H new ATOM 0 HG3 PRO A 66 -6.757 -7.490 19.651 1.00 53.01 H new ATOM 0 HD2 PRO A 66 -5.799 -7.615 17.105 1.00 2.05 H new ATOM 0 HD3 PRO A 66 -4.763 -7.910 18.488 1.00 2.05 H new ATOM 1078 N MET A 67 -7.750 -10.578 16.355 1.00 64.52 N ATOM 1079 CA MET A 67 -8.818 -11.035 15.473 1.00 40.43 C ATOM 1080 C MET A 67 -8.367 -12.236 14.649 1.00 74.04 C ATOM 1081 O MET A 67 -9.190 -12.975 14.108 1.00 54.32 O ATOM 1082 CB MET A 67 -9.261 -9.903 14.545 1.00 1.32 C ATOM 1083 CG MET A 67 -10.704 -9.472 14.757 1.00 13.14 C ATOM 1084 SD MET A 67 -10.907 -8.404 16.195 1.00 75.00 S ATOM 1085 CE MET A 67 -11.533 -9.573 17.399 1.00 41.21 C ATOM 0 H MET A 67 -7.176 -9.828 15.970 1.00 64.52 H new ATOM 0 HA MET A 67 -9.662 -11.339 16.093 1.00 40.43 H new ATOM 0 HB2 MET A 67 -8.608 -9.044 14.696 1.00 1.32 H new ATOM 0 HB3 MET A 67 -9.134 -10.222 13.510 1.00 1.32 H new ATOM 0 HG2 MET A 67 -11.057 -8.949 13.868 1.00 13.14 H new ATOM 0 HG3 MET A 67 -11.329 -10.357 14.875 1.00 13.14 H new ATOM 0 HE1 MET A 67 -12.019 -9.033 18.212 1.00 41.21 H new ATOM 0 HE2 MET A 67 -12.254 -10.236 16.921 1.00 41.21 H new ATOM 0 HE3 MET A 67 -10.707 -10.162 17.798 1.00 41.21 H new ATOM 1095 N VAL A 68 -7.054 -12.425 14.558 1.00 22.53 N ATOM 1096 CA VAL A 68 -6.493 -13.538 13.800 1.00 61.33 C ATOM 1097 C VAL A 68 -6.854 -14.875 14.438 1.00 75.42 C ATOM 1098 O VAL A 68 -7.476 -15.739 13.820 1.00 21.13 O ATOM 1099 CB VAL A 68 -4.960 -13.429 13.695 1.00 63.15 C ATOM 1100 CG1 VAL A 68 -4.335 -14.809 13.568 1.00 34.31 C ATOM 1101 CG2 VAL A 68 -4.569 -12.546 12.520 1.00 34.22 C ATOM 0 H VAL A 68 -6.359 -11.822 14.999 1.00 22.53 H new ATOM 0 HA VAL A 68 -6.923 -13.488 12.800 1.00 61.33 H new ATOM 0 HB VAL A 68 -4.581 -12.968 14.607 1.00 63.15 H new ATOM 0 HG11 VAL A 68 -3.252 -14.712 13.495 1.00 34.31 H new ATOM 0 HG12 VAL A 68 -4.588 -15.405 14.445 1.00 34.31 H new ATOM 0 HG13 VAL A 68 -4.717 -15.300 12.673 1.00 34.31 H new ATOM 0 HG21 VAL A 68 -3.483 -12.480 12.460 1.00 34.22 H new ATOM 0 HG22 VAL A 68 -4.958 -12.976 11.597 1.00 34.22 H new ATOM 0 HG23 VAL A 68 -4.986 -11.549 12.660 1.00 34.22 H new ATOM 1111 N PRO A 69 -6.456 -15.051 15.708 1.00 33.15 N ATOM 1112 CA PRO A 69 -6.727 -16.281 16.459 1.00 31.23 C ATOM 1113 C PRO A 69 -8.206 -16.439 16.797 1.00 51.11 C ATOM 1114 O PRO A 69 -8.607 -17.415 17.431 1.00 25.35 O ATOM 1115 CB PRO A 69 -5.902 -16.106 17.735 1.00 73.03 C ATOM 1116 CG PRO A 69 -5.763 -14.632 17.898 1.00 41.12 C ATOM 1117 CD PRO A 69 -5.711 -14.065 16.507 1.00 14.01 C ATOM 0 HA PRO A 69 -6.469 -17.173 15.888 1.00 31.23 H new ATOM 0 HB2 PRO A 69 -6.402 -16.554 18.594 1.00 73.03 H new ATOM 0 HB3 PRO A 69 -4.928 -16.588 17.646 1.00 73.03 H new ATOM 0 HG2 PRO A 69 -6.604 -14.220 18.456 1.00 41.12 H new ATOM 0 HG3 PRO A 69 -4.859 -14.384 18.454 1.00 41.12 H new ATOM 0 HD2 PRO A 69 -6.171 -13.078 16.458 1.00 14.01 H new ATOM 0 HD3 PRO A 69 -4.685 -13.956 16.156 1.00 14.01 H new ATOM 1125 N THR A 70 -9.013 -15.472 16.371 1.00 35.11 N ATOM 1126 CA THR A 70 -10.446 -15.504 16.629 1.00 51.35 C ATOM 1127 C THR A 70 -11.219 -14.776 15.535 1.00 10.13 C ATOM 1128 O THR A 70 -12.080 -13.944 15.818 1.00 32.14 O ATOM 1129 CB THR A 70 -10.786 -14.867 17.991 1.00 32.34 C ATOM 1130 OG1 THR A 70 -10.399 -13.489 17.997 1.00 40.33 O ATOM 1131 CG2 THR A 70 -10.081 -15.602 19.121 1.00 60.11 C ATOM 0 H THR A 70 -8.697 -14.657 15.845 1.00 35.11 H new ATOM 0 HA THR A 70 -10.741 -16.553 16.642 1.00 51.35 H new ATOM 0 HB THR A 70 -11.862 -14.942 18.145 1.00 32.34 H new ATOM 0 HG1 THR A 70 -9.421 -13.424 17.983 1.00 40.33 H new ATOM 0 HG21 THR A 70 -10.335 -15.136 20.073 1.00 60.11 H new ATOM 0 HG22 THR A 70 -10.399 -16.644 19.131 1.00 60.11 H new ATOM 0 HG23 THR A 70 -9.003 -15.553 18.970 1.00 60.11 H new ATOM 1139 N GLY A 71 -10.905 -15.096 14.283 1.00 51.32 N ATOM 1140 CA GLY A 71 -11.580 -14.464 13.164 1.00 54.23 C ATOM 1141 C GLY A 71 -11.587 -15.335 11.924 1.00 11.50 C ATOM 1142 O GLY A 71 -11.117 -16.472 11.953 1.00 55.12 O ATOM 0 H GLY A 71 -10.195 -15.781 14.024 1.00 51.32 H new ATOM 0 HA2 GLY A 71 -12.607 -14.232 13.447 1.00 54.23 H new ATOM 0 HA3 GLY A 71 -11.091 -13.517 12.936 1.00 54.23 H new ATOM 1146 N SER A 72 -12.124 -14.801 10.831 1.00 14.31 N ATOM 1147 CA SER A 72 -12.195 -15.540 9.576 1.00 65.20 C ATOM 1148 C SER A 72 -10.958 -15.283 8.723 1.00 12.21 C ATOM 1149 O SER A 72 -10.032 -14.592 9.147 1.00 15.22 O ATOM 1150 CB SER A 72 -13.454 -15.148 8.800 1.00 42.22 C ATOM 1151 OG SER A 72 -13.210 -14.031 7.962 1.00 10.03 O ATOM 0 H SER A 72 -12.516 -13.860 10.790 1.00 14.31 H new ATOM 0 HA SER A 72 -12.238 -16.603 9.811 1.00 65.20 H new ATOM 0 HB2 SER A 72 -13.791 -15.992 8.198 1.00 42.22 H new ATOM 0 HB3 SER A 72 -14.257 -14.914 9.499 1.00 42.22 H new ATOM 0 HG SER A 72 -14.029 -13.802 7.476 1.00 10.03 H new ATOM 1157 N GLU A 73 -10.950 -15.844 7.518 1.00 1.23 N ATOM 1158 CA GLU A 73 -9.826 -15.676 6.604 1.00 70.13 C ATOM 1159 C GLU A 73 -9.875 -14.311 5.926 1.00 52.30 C ATOM 1160 O GLU A 73 -8.840 -13.724 5.613 1.00 13.10 O ATOM 1161 CB GLU A 73 -9.829 -16.783 5.548 1.00 54.22 C ATOM 1162 CG GLU A 73 -8.448 -17.105 5.000 1.00 31.23 C ATOM 1163 CD GLU A 73 -8.094 -18.573 5.136 1.00 62.44 C ATOM 1164 OE1 GLU A 73 -7.647 -18.976 6.231 1.00 14.14 O ATOM 1165 OE2 GLU A 73 -8.265 -19.319 4.150 1.00 50.22 O ATOM 0 H GLU A 73 -11.709 -16.419 7.152 1.00 1.23 H new ATOM 0 HA GLU A 73 -8.906 -15.740 7.185 1.00 70.13 H new ATOM 0 HB2 GLU A 73 -10.258 -17.686 5.982 1.00 54.22 H new ATOM 0 HB3 GLU A 73 -10.478 -16.486 4.724 1.00 54.22 H new ATOM 0 HG2 GLU A 73 -8.403 -16.820 3.949 1.00 31.23 H new ATOM 0 HG3 GLU A 73 -7.704 -16.506 5.525 1.00 31.23 H new ATOM 1172 N ASN A 74 -11.086 -13.811 5.702 1.00 54.41 N ATOM 1173 CA ASN A 74 -11.271 -12.515 5.060 1.00 51.42 C ATOM 1174 C ASN A 74 -10.533 -11.419 5.823 1.00 32.15 C ATOM 1175 O ASN A 74 -10.190 -10.379 5.259 1.00 52.44 O ATOM 1176 CB ASN A 74 -12.760 -12.174 4.971 1.00 71.23 C ATOM 1177 CG ASN A 74 -13.410 -12.744 3.725 1.00 43.31 C ATOM 1178 OD1 ASN A 74 -13.400 -13.955 3.504 1.00 72.20 O ATOM 1179 ND2 ASN A 74 -13.980 -11.870 2.904 1.00 5.34 N ATOM 0 H ASN A 74 -11.954 -14.284 5.956 1.00 54.41 H new ATOM 0 HA ASN A 74 -10.857 -12.575 4.053 1.00 51.42 H new ATOM 0 HB2 ASN A 74 -13.272 -12.559 5.853 1.00 71.23 H new ATOM 0 HB3 ASN A 74 -12.883 -11.091 4.979 1.00 71.23 H new ATOM 0 HD21 ASN A 74 -14.434 -12.194 2.050 1.00 5.34 H new ATOM 0 HD22 ASN A 74 -13.964 -10.875 3.128 1.00 5.34 H new ATOM 1186 N LEU A 75 -10.288 -11.661 7.105 1.00 45.35 N ATOM 1187 CA LEU A 75 -9.590 -10.695 7.947 1.00 12.03 C ATOM 1188 C LEU A 75 -8.079 -10.891 7.860 1.00 1.45 C ATOM 1189 O LEU A 75 -7.318 -9.924 7.831 1.00 53.13 O ATOM 1190 CB LEU A 75 -10.050 -10.827 9.399 1.00 10.31 C ATOM 1191 CG LEU A 75 -9.359 -9.908 10.408 1.00 24.13 C ATOM 1192 CD1 LEU A 75 -10.367 -9.354 11.402 1.00 74.34 C ATOM 1193 CD2 LEU A 75 -8.247 -10.653 11.132 1.00 52.44 C ATOM 0 H LEU A 75 -10.562 -12.518 7.585 1.00 45.35 H new ATOM 0 HA LEU A 75 -9.831 -9.695 7.587 1.00 12.03 H new ATOM 0 HB2 LEU A 75 -11.122 -10.636 9.438 1.00 10.31 H new ATOM 0 HB3 LEU A 75 -9.899 -11.859 9.715 1.00 10.31 H new ATOM 0 HG LEU A 75 -8.917 -9.072 9.867 1.00 24.13 H new ATOM 0 HD11 LEU A 75 -9.858 -8.703 12.112 1.00 74.34 H new ATOM 0 HD12 LEU A 75 -11.128 -8.785 10.869 1.00 74.34 H new ATOM 0 HD13 LEU A 75 -10.839 -10.177 11.939 1.00 74.34 H new ATOM 0 HD21 LEU A 75 -7.766 -9.984 11.846 1.00 52.44 H new ATOM 0 HD22 LEU A 75 -8.667 -11.508 11.662 1.00 52.44 H new ATOM 0 HD23 LEU A 75 -7.510 -11.001 10.408 1.00 52.44 H new ATOM 1205 N LYS A 76 -7.653 -12.148 7.816 1.00 72.13 N ATOM 1206 CA LYS A 76 -6.234 -12.472 7.729 1.00 72.34 C ATOM 1207 C LYS A 76 -5.593 -11.794 6.522 1.00 44.04 C ATOM 1208 O LYS A 76 -4.469 -11.299 6.600 1.00 61.42 O ATOM 1209 CB LYS A 76 -6.040 -13.988 7.638 1.00 41.42 C ATOM 1210 CG LYS A 76 -5.523 -14.614 8.922 1.00 54.21 C ATOM 1211 CD LYS A 76 -6.267 -15.895 9.257 1.00 25.12 C ATOM 1212 CE LYS A 76 -5.881 -16.421 10.631 1.00 12.44 C ATOM 1213 NZ LYS A 76 -5.590 -17.881 10.605 1.00 24.41 N ATOM 0 H LYS A 76 -8.270 -12.960 7.839 1.00 72.13 H new ATOM 0 HA LYS A 76 -5.747 -12.103 8.632 1.00 72.34 H new ATOM 0 HB2 LYS A 76 -6.990 -14.452 7.375 1.00 41.42 H new ATOM 0 HB3 LYS A 76 -5.343 -14.209 6.830 1.00 41.42 H new ATOM 0 HG2 LYS A 76 -4.459 -14.826 8.821 1.00 54.21 H new ATOM 0 HG3 LYS A 76 -5.630 -13.905 9.743 1.00 54.21 H new ATOM 0 HD2 LYS A 76 -7.341 -15.712 9.225 1.00 25.12 H new ATOM 0 HD3 LYS A 76 -6.050 -16.651 8.503 1.00 25.12 H new ATOM 0 HE2 LYS A 76 -5.005 -15.883 10.993 1.00 12.44 H new ATOM 0 HE3 LYS A 76 -6.689 -16.224 11.335 1.00 12.44 H new ATOM 0 HZ1 LYS A 76 -5.331 -18.200 11.560 1.00 24.41 H new ATOM 0 HZ2 LYS A 76 -6.434 -18.397 10.284 1.00 24.41 H new ATOM 0 HZ3 LYS A 76 -4.802 -18.066 9.952 1.00 24.41 H new ATOM 1227 N SER A 77 -6.317 -11.774 5.408 1.00 23.34 N ATOM 1228 CA SER A 77 -5.818 -11.158 4.184 1.00 24.32 C ATOM 1229 C SER A 77 -5.477 -9.690 4.414 1.00 64.14 C ATOM 1230 O SER A 77 -4.453 -9.196 3.940 1.00 74.45 O ATOM 1231 CB SER A 77 -6.855 -11.283 3.065 1.00 65.14 C ATOM 1232 OG SER A 77 -6.690 -10.260 2.100 1.00 2.13 O ATOM 0 H SER A 77 -7.251 -12.177 5.327 1.00 23.34 H new ATOM 0 HA SER A 77 -4.909 -11.682 3.888 1.00 24.32 H new ATOM 0 HB2 SER A 77 -6.762 -12.258 2.586 1.00 65.14 H new ATOM 0 HB3 SER A 77 -7.858 -11.230 3.487 1.00 65.14 H new ATOM 0 HG SER A 77 -7.311 -9.526 2.292 1.00 2.13 H new ATOM 1238 N LEU A 78 -6.343 -8.996 5.146 1.00 12.44 N ATOM 1239 CA LEU A 78 -6.135 -7.582 5.440 1.00 72.12 C ATOM 1240 C LEU A 78 -5.054 -7.401 6.501 1.00 55.33 C ATOM 1241 O LEU A 78 -4.312 -6.418 6.486 1.00 41.22 O ATOM 1242 CB LEU A 78 -7.441 -6.941 5.912 1.00 23.51 C ATOM 1243 CG LEU A 78 -7.332 -5.516 6.454 1.00 61.20 C ATOM 1244 CD1 LEU A 78 -6.872 -4.563 5.362 1.00 74.43 C ATOM 1245 CD2 LEU A 78 -8.664 -5.063 7.034 1.00 62.05 C ATOM 0 H LEU A 78 -7.195 -9.389 5.546 1.00 12.44 H new ATOM 0 HA LEU A 78 -5.807 -7.090 4.524 1.00 72.12 H new ATOM 0 HB2 LEU A 78 -8.143 -6.938 5.078 1.00 23.51 H new ATOM 0 HB3 LEU A 78 -7.872 -7.572 6.689 1.00 23.51 H new ATOM 0 HG LEU A 78 -6.589 -5.507 7.252 1.00 61.20 H new ATOM 0 HD11 LEU A 78 -6.800 -3.553 5.767 1.00 74.43 H new ATOM 0 HD12 LEU A 78 -5.895 -4.876 4.993 1.00 74.43 H new ATOM 0 HD13 LEU A 78 -7.590 -4.575 4.542 1.00 74.43 H new ATOM 0 HD21 LEU A 78 -8.568 -4.046 7.415 1.00 62.05 H new ATOM 0 HD22 LEU A 78 -9.427 -5.088 6.256 1.00 62.05 H new ATOM 0 HD23 LEU A 78 -8.952 -5.730 7.847 1.00 62.05 H new ATOM 1257 N PHE A 79 -4.969 -8.356 7.422 1.00 5.25 N ATOM 1258 CA PHE A 79 -3.978 -8.303 8.489 1.00 42.25 C ATOM 1259 C PHE A 79 -2.563 -8.379 7.924 1.00 33.15 C ATOM 1260 O PHE A 79 -1.658 -7.692 8.394 1.00 30.24 O ATOM 1261 CB PHE A 79 -4.204 -9.446 9.481 1.00 40.14 C ATOM 1262 CG PHE A 79 -3.231 -9.449 10.626 1.00 3.41 C ATOM 1263 CD1 PHE A 79 -3.034 -8.308 11.388 1.00 44.01 C ATOM 1264 CD2 PHE A 79 -2.512 -10.591 10.938 1.00 30.32 C ATOM 1265 CE1 PHE A 79 -2.140 -8.308 12.441 1.00 54.05 C ATOM 1266 CE2 PHE A 79 -1.616 -10.596 11.990 1.00 71.21 C ATOM 1267 CZ PHE A 79 -1.429 -9.453 12.743 1.00 11.53 C ATOM 0 H PHE A 79 -5.575 -9.176 7.450 1.00 5.25 H new ATOM 0 HA PHE A 79 -4.092 -7.351 9.008 1.00 42.25 H new ATOM 0 HB2 PHE A 79 -5.217 -9.378 9.876 1.00 40.14 H new ATOM 0 HB3 PHE A 79 -4.132 -10.396 8.951 1.00 40.14 H new ATOM 0 HD1 PHE A 79 -3.586 -7.409 11.156 1.00 44.01 H new ATOM 0 HD2 PHE A 79 -2.653 -11.488 10.353 1.00 30.32 H new ATOM 0 HE1 PHE A 79 -1.997 -7.413 13.028 1.00 54.05 H new ATOM 0 HE2 PHE A 79 -1.062 -11.493 12.223 1.00 71.21 H new ATOM 0 HZ PHE A 79 -0.729 -9.455 13.565 1.00 11.53 H new ATOM 1277 N ASN A 80 -2.382 -9.220 6.911 1.00 24.33 N ATOM 1278 CA ASN A 80 -1.077 -9.388 6.280 1.00 41.13 C ATOM 1279 C ASN A 80 -0.721 -8.169 5.434 1.00 42.14 C ATOM 1280 O ASN A 80 0.454 -7.868 5.221 1.00 71.32 O ATOM 1281 CB ASN A 80 -1.066 -10.647 5.410 1.00 71.02 C ATOM 1282 CG ASN A 80 -0.609 -11.874 6.176 1.00 23.13 C ATOM 1283 OD1 ASN A 80 0.349 -12.540 5.787 1.00 20.43 O ATOM 1284 ND2 ASN A 80 -1.297 -12.177 7.271 1.00 42.12 N ATOM 0 H ASN A 80 -3.122 -9.796 6.509 1.00 24.33 H new ATOM 0 HA ASN A 80 -0.331 -9.492 7.068 1.00 41.13 H new ATOM 0 HB2 ASN A 80 -2.067 -10.821 5.014 1.00 71.02 H new ATOM 0 HB3 ASN A 80 -0.408 -10.489 4.555 1.00 71.02 H new ATOM 0 HD21 ASN A 80 -1.037 -12.991 7.827 1.00 42.12 H new ATOM 0 HD22 ASN A 80 -2.085 -11.595 7.556 1.00 42.12 H new ATOM 1291 N THR A 81 -1.745 -7.468 4.955 1.00 52.21 N ATOM 1292 CA THR A 81 -1.541 -6.283 4.133 1.00 53.51 C ATOM 1293 C THR A 81 -1.180 -5.074 4.990 1.00 1.12 C ATOM 1294 O THR A 81 -0.341 -4.259 4.609 1.00 53.33 O ATOM 1295 CB THR A 81 -2.796 -5.952 3.303 1.00 12.13 C ATOM 1296 OG1 THR A 81 -3.230 -7.115 2.589 1.00 62.14 O ATOM 1297 CG2 THR A 81 -2.513 -4.825 2.320 1.00 64.11 C ATOM 0 H THR A 81 -2.724 -7.701 5.123 1.00 52.21 H new ATOM 0 HA THR A 81 -0.715 -6.506 3.457 1.00 53.51 H new ATOM 0 HB THR A 81 -3.582 -5.629 3.986 1.00 12.13 H new ATOM 0 HG1 THR A 81 -3.652 -7.743 3.212 1.00 62.14 H new ATOM 0 HG21 THR A 81 -3.414 -4.609 1.745 1.00 64.11 H new ATOM 0 HG22 THR A 81 -2.209 -3.933 2.867 1.00 64.11 H new ATOM 0 HG23 THR A 81 -1.714 -5.125 1.643 1.00 64.11 H new ATOM 1305 N VAL A 82 -1.819 -4.966 6.151 1.00 3.25 N ATOM 1306 CA VAL A 82 -1.564 -3.857 7.063 1.00 23.21 C ATOM 1307 C VAL A 82 -0.104 -3.829 7.498 1.00 30.31 C ATOM 1308 O VAL A 82 0.474 -2.760 7.699 1.00 60.54 O ATOM 1309 CB VAL A 82 -2.461 -3.942 8.313 1.00 33.51 C ATOM 1310 CG1 VAL A 82 -2.147 -2.804 9.272 1.00 64.11 C ATOM 1311 CG2 VAL A 82 -3.929 -3.929 7.918 1.00 43.22 C ATOM 0 H VAL A 82 -2.517 -5.633 6.482 1.00 3.25 H new ATOM 0 HA VAL A 82 -1.795 -2.940 6.521 1.00 23.21 H new ATOM 0 HB VAL A 82 -2.256 -4.883 8.824 1.00 33.51 H new ATOM 0 HG11 VAL A 82 -2.790 -2.880 10.149 1.00 64.11 H new ATOM 0 HG12 VAL A 82 -1.103 -2.866 9.580 1.00 64.11 H new ATOM 0 HG13 VAL A 82 -2.323 -1.850 8.775 1.00 64.11 H new ATOM 0 HG21 VAL A 82 -4.547 -3.990 8.814 1.00 43.22 H new ATOM 0 HG22 VAL A 82 -4.154 -3.006 7.384 1.00 43.22 H new ATOM 0 HG23 VAL A 82 -4.140 -4.782 7.273 1.00 43.22 H new ATOM 1321 N CYS A 83 0.488 -5.010 7.642 1.00 5.44 N ATOM 1322 CA CYS A 83 1.883 -5.120 8.054 1.00 23.33 C ATOM 1323 C CYS A 83 2.812 -4.541 6.991 1.00 64.45 C ATOM 1324 O CYS A 83 3.855 -3.971 7.308 1.00 61.43 O ATOM 1325 CB CYS A 83 2.242 -6.583 8.320 1.00 73.54 C ATOM 1326 SG CYS A 83 1.783 -7.167 9.969 1.00 74.12 S ATOM 0 H CYS A 83 0.024 -5.904 7.480 1.00 5.44 H new ATOM 0 HA CYS A 83 2.012 -4.548 8.973 1.00 23.33 H new ATOM 0 HB2 CYS A 83 1.750 -7.208 7.575 1.00 73.54 H new ATOM 0 HB3 CYS A 83 3.316 -6.713 8.186 1.00 73.54 H new ATOM 0 HG CYS A 83 0.798 -8.009 9.872 1.00 74.12 H new ATOM 1332 N VAL A 84 2.424 -4.694 5.729 1.00 15.21 N ATOM 1333 CA VAL A 84 3.223 -4.187 4.619 1.00 51.02 C ATOM 1334 C VAL A 84 3.091 -2.674 4.494 1.00 2.54 C ATOM 1335 O VAL A 84 4.072 -1.973 4.242 1.00 12.32 O ATOM 1336 CB VAL A 84 2.809 -4.839 3.286 1.00 34.14 C ATOM 1337 CG1 VAL A 84 3.656 -4.301 2.142 1.00 71.53 C ATOM 1338 CG2 VAL A 84 2.922 -6.353 3.377 1.00 70.40 C ATOM 0 H VAL A 84 1.563 -5.164 5.450 1.00 15.21 H new ATOM 0 HA VAL A 84 4.261 -4.442 4.833 1.00 51.02 H new ATOM 0 HB VAL A 84 1.768 -4.586 3.085 1.00 34.14 H new ATOM 0 HG11 VAL A 84 3.349 -4.773 1.209 1.00 71.53 H new ATOM 0 HG12 VAL A 84 3.520 -3.222 2.065 1.00 71.53 H new ATOM 0 HG13 VAL A 84 4.706 -4.522 2.332 1.00 71.53 H new ATOM 0 HG21 VAL A 84 2.626 -6.798 2.427 1.00 70.40 H new ATOM 0 HG22 VAL A 84 3.953 -6.628 3.601 1.00 70.40 H new ATOM 0 HG23 VAL A 84 2.269 -6.720 4.169 1.00 70.40 H new ATOM 1348 N ILE A 85 1.872 -2.175 4.670 1.00 12.14 N ATOM 1349 CA ILE A 85 1.612 -0.743 4.578 1.00 22.41 C ATOM 1350 C ILE A 85 2.379 0.025 5.649 1.00 30.10 C ATOM 1351 O ILE A 85 2.983 1.061 5.371 1.00 2.30 O ATOM 1352 CB ILE A 85 0.109 -0.434 4.718 1.00 53.30 C ATOM 1353 CG1 ILE A 85 -0.681 -1.128 3.607 1.00 64.22 C ATOM 1354 CG2 ILE A 85 -0.127 1.068 4.685 1.00 11.12 C ATOM 1355 CD1 ILE A 85 -0.627 -0.401 2.282 1.00 40.52 C ATOM 0 H ILE A 85 1.049 -2.741 4.877 1.00 12.14 H new ATOM 0 HA ILE A 85 1.951 -0.423 3.592 1.00 22.41 H new ATOM 0 HB ILE A 85 -0.239 -0.816 5.678 1.00 53.30 H new ATOM 0 HG12 ILE A 85 -0.294 -2.138 3.474 1.00 64.22 H new ATOM 0 HG13 ILE A 85 -1.721 -1.224 3.918 1.00 64.22 H new ATOM 0 HG21 ILE A 85 -1.193 1.271 4.785 1.00 11.12 H new ATOM 0 HG22 ILE A 85 0.411 1.539 5.508 1.00 11.12 H new ATOM 0 HG23 ILE A 85 0.232 1.472 3.738 1.00 11.12 H new ATOM 0 HD11 ILE A 85 -1.209 -0.950 1.542 1.00 40.52 H new ATOM 0 HD12 ILE A 85 -1.041 0.600 2.399 1.00 40.52 H new ATOM 0 HD13 ILE A 85 0.408 -0.329 1.949 1.00 40.52 H new ATOM 1367 N TRP A 86 2.353 -0.491 6.872 1.00 23.42 N ATOM 1368 CA TRP A 86 3.048 0.145 7.985 1.00 53.23 C ATOM 1369 C TRP A 86 4.545 0.240 7.710 1.00 1.21 C ATOM 1370 O TRP A 86 5.166 1.274 7.958 1.00 13.42 O ATOM 1371 CB TRP A 86 2.804 -0.633 9.279 1.00 24.23 C ATOM 1372 CG TRP A 86 3.420 0.008 10.484 1.00 41.54 C ATOM 1373 CD1 TRP A 86 2.852 0.952 11.291 1.00 64.03 C ATOM 1374 CD2 TRP A 86 4.725 -0.245 11.017 1.00 44.13 C ATOM 1375 NE1 TRP A 86 3.724 1.301 12.294 1.00 63.54 N ATOM 1376 CE2 TRP A 86 4.879 0.579 12.149 1.00 53.12 C ATOM 1377 CE3 TRP A 86 5.776 -1.090 10.651 1.00 2.34 C ATOM 1378 CZ2 TRP A 86 6.044 0.584 12.913 1.00 30.50 C ATOM 1379 CZ3 TRP A 86 6.930 -1.085 11.410 1.00 20.20 C ATOM 1380 CH2 TRP A 86 7.057 -0.253 12.531 1.00 61.32 C ATOM 0 H TRP A 86 1.858 -1.348 7.118 1.00 23.42 H new ATOM 0 HA TRP A 86 2.653 1.155 8.097 1.00 53.23 H new ATOM 0 HB2 TRP A 86 1.730 -0.731 9.438 1.00 24.23 H new ATOM 0 HB3 TRP A 86 3.203 -1.641 9.169 1.00 24.23 H new ATOM 0 HD1 TRP A 86 1.862 1.364 11.160 1.00 64.03 H new ATOM 0 HE1 TRP A 86 3.541 1.986 13.027 1.00 63.54 H new ATOM 0 HE3 TRP A 86 5.688 -1.736 9.790 1.00 2.34 H new ATOM 0 HZ2 TRP A 86 6.144 1.226 13.776 1.00 30.50 H new ATOM 0 HZ3 TRP A 86 7.749 -1.733 11.135 1.00 20.20 H new ATOM 0 HH2 TRP A 86 7.972 -0.273 13.104 1.00 61.32 H new ATOM 1391 N CYS A 87 5.117 -0.843 7.196 1.00 30.24 N ATOM 1392 CA CYS A 87 6.542 -0.881 6.887 1.00 63.35 C ATOM 1393 C CYS A 87 6.927 0.261 5.953 1.00 54.25 C ATOM 1394 O CYS A 87 7.808 1.063 6.268 1.00 31.33 O ATOM 1395 CB CYS A 87 6.912 -2.222 6.251 1.00 43.21 C ATOM 1396 SG CYS A 87 7.258 -3.535 7.444 1.00 15.03 S ATOM 0 H CYS A 87 4.616 -1.706 6.984 1.00 30.24 H new ATOM 0 HA CYS A 87 7.093 -0.765 7.820 1.00 63.35 H new ATOM 0 HB2 CYS A 87 6.097 -2.541 5.602 1.00 43.21 H new ATOM 0 HB3 CYS A 87 7.788 -2.082 5.617 1.00 43.21 H new ATOM 0 HG CYS A 87 6.152 -4.144 7.752 1.00 15.03 H new ATOM 1402 N ILE A 88 6.263 0.330 4.805 1.00 62.23 N ATOM 1403 CA ILE A 88 6.535 1.374 3.826 1.00 13.20 C ATOM 1404 C ILE A 88 6.666 2.737 4.497 1.00 41.43 C ATOM 1405 O ILE A 88 7.456 3.580 4.070 1.00 4.22 O ATOM 1406 CB ILE A 88 5.431 1.446 2.756 1.00 30.03 C ATOM 1407 CG1 ILE A 88 5.328 0.115 2.008 1.00 31.20 C ATOM 1408 CG2 ILE A 88 5.706 2.585 1.785 1.00 40.12 C ATOM 1409 CD1 ILE A 88 4.029 -0.055 1.253 1.00 1.13 C ATOM 0 H ILE A 88 5.532 -0.326 4.530 1.00 62.23 H new ATOM 0 HA ILE A 88 7.479 1.116 3.345 1.00 13.20 H new ATOM 0 HB ILE A 88 4.479 1.639 3.251 1.00 30.03 H new ATOM 0 HG12 ILE A 88 6.159 0.036 1.307 1.00 31.20 H new ATOM 0 HG13 ILE A 88 5.434 -0.702 2.721 1.00 31.20 H new ATOM 0 HG21 ILE A 88 4.916 2.622 1.035 1.00 40.12 H new ATOM 0 HG22 ILE A 88 5.734 3.529 2.330 1.00 40.12 H new ATOM 0 HG23 ILE A 88 6.665 2.421 1.294 1.00 40.12 H new ATOM 0 HD11 ILE A 88 4.026 -1.020 0.747 1.00 1.13 H new ATOM 0 HD12 ILE A 88 3.193 -0.009 1.951 1.00 1.13 H new ATOM 0 HD13 ILE A 88 3.930 0.741 0.515 1.00 1.13 H new ATOM 1421 N HIS A 89 5.885 2.947 5.554 1.00 14.01 N ATOM 1422 CA HIS A 89 5.915 4.208 6.288 1.00 13.21 C ATOM 1423 C HIS A 89 6.994 4.183 7.367 1.00 14.13 C ATOM 1424 O HIS A 89 7.611 5.227 7.573 1.00 43.35 O ATOM 1425 CB HIS A 89 4.551 4.485 6.922 1.00 52.04 C ATOM 1426 CG HIS A 89 3.438 4.591 5.925 1.00 12.30 C ATOM 1427 ND1 HIS A 89 3.570 5.239 4.715 1.00 63.04 N ATOM 1428 CD2 HIS A 89 2.168 4.125 5.964 1.00 51.54 C ATOM 1429 CE1 HIS A 89 2.429 5.168 4.054 1.00 45.22 C ATOM 1430 NE2 HIS A 89 1.561 4.497 4.790 1.00 61.23 N ATOM 0 H HIS A 89 5.225 2.261 5.920 1.00 14.01 H new ATOM 0 HA HIS A 89 6.149 5.005 5.583 1.00 13.21 H new ATOM 0 HB2 HIS A 89 4.320 3.689 7.629 1.00 52.04 H new ATOM 0 HB3 HIS A 89 4.606 5.412 7.493 1.00 52.04 H new ATOM 0 HD2 HIS A 89 1.716 3.565 6.769 1.00 51.54 H new ATOM 0 HE1 HIS A 89 2.238 5.587 3.077 1.00 45.22 H new ATOM 0 HE2 HIS A 89 0.597 4.289 4.529 1.00 61.23 H new ATOM 1438 N ALA A 90 7.231 3.058 8.034 1.00 3.04 N ATOM 1439 CA ALA A 90 8.252 2.985 9.071 1.00 13.41 C ATOM 1440 C ALA A 90 9.642 2.828 8.462 1.00 41.31 C ATOM 1441 O ALA A 90 10.628 2.663 9.180 1.00 13.32 O ATOM 1442 CB ALA A 90 7.958 1.836 10.023 1.00 30.33 C ATOM 0 H ALA A 90 6.729 2.184 7.874 1.00 3.04 H new ATOM 0 HA ALA A 90 8.232 3.920 9.632 1.00 13.41 H new ATOM 0 HB1 ALA A 90 8.729 1.794 10.792 1.00 30.33 H new ATOM 0 HB2 ALA A 90 6.986 1.991 10.492 1.00 30.33 H new ATOM 0 HB3 ALA A 90 7.947 0.898 9.468 1.00 30.33 H new ATOM 1448 N GLU A 91 9.711 2.880 7.135 1.00 70.10 N ATOM 1449 CA GLU A 91 10.980 2.741 6.432 1.00 34.02 C ATOM 1450 C GLU A 91 11.524 1.322 6.564 1.00 22.53 C ATOM 1451 O GLU A 91 12.707 1.075 6.335 1.00 33.11 O ATOM 1452 CB GLU A 91 12.002 3.742 6.975 1.00 75.24 C ATOM 1453 CG GLU A 91 12.656 4.591 5.898 1.00 5.05 C ATOM 1454 CD GLU A 91 13.471 5.734 6.469 1.00 52.42 C ATOM 1455 OE1 GLU A 91 14.675 5.533 6.732 1.00 60.22 O ATOM 1456 OE2 GLU A 91 12.904 6.832 6.654 1.00 74.24 O ATOM 0 H GLU A 91 8.904 3.017 6.527 1.00 70.10 H new ATOM 0 HA GLU A 91 10.804 2.947 5.376 1.00 34.02 H new ATOM 0 HB2 GLU A 91 11.509 4.398 7.693 1.00 75.24 H new ATOM 0 HB3 GLU A 91 12.776 3.199 7.518 1.00 75.24 H new ATOM 0 HG2 GLU A 91 13.301 3.961 5.286 1.00 5.05 H new ATOM 0 HG3 GLU A 91 11.885 4.993 5.240 1.00 5.05 H new ATOM 1463 N GLU A 92 10.649 0.392 6.935 1.00 21.43 N ATOM 1464 CA GLU A 92 11.041 -1.004 7.098 1.00 74.14 C ATOM 1465 C GLU A 92 11.082 -1.719 5.751 1.00 5.35 C ATOM 1466 O GLU A 92 10.231 -1.493 4.889 1.00 32.02 O ATOM 1467 CB GLU A 92 10.072 -1.721 8.040 1.00 33.40 C ATOM 1468 CG GLU A 92 10.466 -1.628 9.504 1.00 55.43 C ATOM 1469 CD GLU A 92 11.707 -2.438 9.829 1.00 21.54 C ATOM 1470 OE1 GLU A 92 12.418 -2.839 8.883 1.00 62.34 O ATOM 1471 OE2 GLU A 92 11.966 -2.671 11.028 1.00 31.53 O ATOM 0 H GLU A 92 9.665 0.579 7.128 1.00 21.43 H new ATOM 0 HA GLU A 92 12.041 -1.026 7.531 1.00 74.14 H new ATOM 0 HB2 GLU A 92 9.075 -1.298 7.913 1.00 33.40 H new ATOM 0 HB3 GLU A 92 10.011 -2.771 7.755 1.00 33.40 H new ATOM 0 HG2 GLU A 92 10.640 -0.584 9.763 1.00 55.43 H new ATOM 0 HG3 GLU A 92 9.638 -1.976 10.122 1.00 55.43 H new ATOM 1478 N LYS A 93 12.076 -2.583 5.576 1.00 40.33 N ATOM 1479 CA LYS A 93 12.229 -3.333 4.335 1.00 2.51 C ATOM 1480 C LYS A 93 11.798 -4.784 4.520 1.00 75.40 C ATOM 1481 O LYS A 93 12.230 -5.455 5.458 1.00 43.42 O ATOM 1482 CB LYS A 93 13.682 -3.277 3.858 1.00 23.31 C ATOM 1483 CG LYS A 93 14.691 -3.632 4.936 1.00 31.22 C ATOM 1484 CD LYS A 93 15.573 -2.447 5.286 1.00 34.10 C ATOM 1485 CE LYS A 93 16.239 -2.628 6.642 1.00 21.51 C ATOM 1486 NZ LYS A 93 17.601 -2.026 6.677 1.00 30.00 N ATOM 0 H LYS A 93 12.788 -2.781 6.279 1.00 40.33 H new ATOM 0 HA LYS A 93 11.588 -2.876 3.581 1.00 2.51 H new ATOM 0 HB2 LYS A 93 13.806 -3.960 3.017 1.00 23.31 H new ATOM 0 HB3 LYS A 93 13.896 -2.274 3.488 1.00 23.31 H new ATOM 0 HG2 LYS A 93 14.166 -3.972 5.829 1.00 31.22 H new ATOM 0 HG3 LYS A 93 15.312 -4.461 4.596 1.00 31.22 H new ATOM 0 HD2 LYS A 93 16.337 -2.321 4.518 1.00 34.10 H new ATOM 0 HD3 LYS A 93 14.974 -1.536 5.292 1.00 34.10 H new ATOM 0 HE2 LYS A 93 15.620 -2.171 7.414 1.00 21.51 H new ATOM 0 HE3 LYS A 93 16.306 -3.691 6.875 1.00 21.51 H new ATOM 0 HZ1 LYS A 93 18.020 -2.171 7.618 1.00 30.00 H new ATOM 0 HZ2 LYS A 93 18.200 -2.479 5.957 1.00 30.00 H new ATOM 0 HZ3 LYS A 93 17.535 -1.007 6.480 1.00 30.00 H new ATOM 1500 N VAL A 94 10.948 -5.264 3.619 1.00 4.24 N ATOM 1501 CA VAL A 94 10.462 -6.637 3.682 1.00 1.12 C ATOM 1502 C VAL A 94 10.622 -7.338 2.337 1.00 32.53 C ATOM 1503 O VAL A 94 10.393 -6.746 1.283 1.00 12.04 O ATOM 1504 CB VAL A 94 8.981 -6.689 4.102 1.00 61.42 C ATOM 1505 CG1 VAL A 94 8.774 -5.962 5.421 1.00 53.45 C ATOM 1506 CG2 VAL A 94 8.097 -6.099 3.014 1.00 10.52 C ATOM 0 H VAL A 94 10.581 -4.722 2.836 1.00 4.24 H new ATOM 0 HA VAL A 94 11.063 -7.152 4.431 1.00 1.12 H new ATOM 0 HB VAL A 94 8.698 -7.732 4.242 1.00 61.42 H new ATOM 0 HG11 VAL A 94 7.722 -6.009 5.701 1.00 53.45 H new ATOM 0 HG12 VAL A 94 9.378 -6.435 6.196 1.00 53.45 H new ATOM 0 HG13 VAL A 94 9.074 -4.920 5.313 1.00 53.45 H new ATOM 0 HG21 VAL A 94 7.054 -6.144 3.328 1.00 10.52 H new ATOM 0 HG22 VAL A 94 8.379 -5.061 2.840 1.00 10.52 H new ATOM 0 HG23 VAL A 94 8.224 -6.669 2.093 1.00 10.52 H new ATOM 1516 N LYS A 95 11.017 -8.607 2.381 1.00 42.23 N ATOM 1517 CA LYS A 95 11.207 -9.392 1.168 1.00 64.42 C ATOM 1518 C LYS A 95 9.873 -9.917 0.645 1.00 64.34 C ATOM 1519 O LYS A 95 9.579 -9.817 -0.546 1.00 65.44 O ATOM 1520 CB LYS A 95 12.157 -10.561 1.436 1.00 34.21 C ATOM 1521 CG LYS A 95 12.602 -11.283 0.176 1.00 31.30 C ATOM 1522 CD LYS A 95 11.813 -12.564 -0.041 1.00 3.44 C ATOM 1523 CE LYS A 95 12.301 -13.318 -1.270 1.00 42.24 C ATOM 1524 NZ LYS A 95 13.379 -14.288 -0.933 1.00 11.32 N ATOM 0 H LYS A 95 11.212 -9.113 3.245 1.00 42.23 H new ATOM 0 HA LYS A 95 11.645 -8.743 0.410 1.00 64.42 H new ATOM 0 HB2 LYS A 95 13.037 -10.190 1.962 1.00 34.21 H new ATOM 0 HB3 LYS A 95 11.666 -11.273 2.099 1.00 34.21 H new ATOM 0 HG2 LYS A 95 12.475 -10.626 -0.685 1.00 31.30 H new ATOM 0 HG3 LYS A 95 13.664 -11.516 0.245 1.00 31.30 H new ATOM 0 HD2 LYS A 95 11.904 -13.202 0.838 1.00 3.44 H new ATOM 0 HD3 LYS A 95 10.755 -12.326 -0.155 1.00 3.44 H new ATOM 0 HE2 LYS A 95 11.465 -13.848 -1.727 1.00 42.24 H new ATOM 0 HE3 LYS A 95 12.670 -12.607 -2.009 1.00 42.24 H new ATOM 0 HZ1 LYS A 95 13.684 -14.781 -1.796 1.00 11.32 H new ATOM 0 HZ2 LYS A 95 14.187 -13.780 -0.521 1.00 11.32 H new ATOM 0 HZ3 LYS A 95 13.020 -14.982 -0.247 1.00 11.32 H new ATOM 1538 N ASP A 96 9.070 -10.477 1.544 1.00 42.44 N ATOM 1539 CA ASP A 96 7.766 -11.014 1.174 1.00 23.32 C ATOM 1540 C ASP A 96 6.717 -10.671 2.227 1.00 71.41 C ATOM 1541 O ASP A 96 7.051 -10.288 3.350 1.00 24.42 O ATOM 1542 CB ASP A 96 7.849 -12.531 0.994 1.00 73.01 C ATOM 1543 CG ASP A 96 8.470 -13.223 2.192 1.00 22.30 C ATOM 1544 OD1 ASP A 96 7.753 -13.437 3.192 1.00 54.41 O ATOM 1545 OD2 ASP A 96 9.673 -13.552 2.128 1.00 74.12 O ATOM 0 H ASP A 96 9.300 -10.571 2.533 1.00 42.44 H new ATOM 0 HA ASP A 96 7.468 -10.559 0.230 1.00 23.32 H new ATOM 0 HB2 ASP A 96 6.848 -12.929 0.826 1.00 73.01 H new ATOM 0 HB3 ASP A 96 8.435 -12.757 0.103 1.00 73.01 H new ATOM 1550 N THR A 97 5.447 -10.811 1.859 1.00 31.41 N ATOM 1551 CA THR A 97 4.350 -10.514 2.771 1.00 12.12 C ATOM 1552 C THR A 97 4.608 -11.104 4.153 1.00 2.55 C ATOM 1553 O THR A 97 4.622 -10.384 5.151 1.00 62.41 O ATOM 1554 CB THR A 97 3.012 -11.057 2.236 1.00 13.05 C ATOM 1555 OG1 THR A 97 2.676 -10.406 1.005 1.00 45.41 O ATOM 1556 CG2 THR A 97 1.898 -10.845 3.249 1.00 5.13 C ATOM 0 H THR A 97 5.153 -11.128 0.935 1.00 31.41 H new ATOM 0 HA THR A 97 4.289 -9.428 2.848 1.00 12.12 H new ATOM 0 HB THR A 97 3.123 -12.127 2.062 1.00 13.05 H new ATOM 0 HG1 THR A 97 2.180 -9.583 1.195 1.00 45.41 H new ATOM 0 HG21 THR A 97 0.963 -11.237 2.849 1.00 5.13 H new ATOM 0 HG22 THR A 97 2.143 -11.367 4.174 1.00 5.13 H new ATOM 0 HG23 THR A 97 1.788 -9.780 3.451 1.00 5.13 H new ATOM 1564 N GLU A 98 4.814 -12.416 4.202 1.00 62.21 N ATOM 1565 CA GLU A 98 5.072 -13.101 5.463 1.00 2.02 C ATOM 1566 C GLU A 98 6.168 -12.393 6.253 1.00 41.22 C ATOM 1567 O GLU A 98 5.975 -12.025 7.412 1.00 45.20 O ATOM 1568 CB GLU A 98 5.472 -14.556 5.206 1.00 62.04 C ATOM 1569 CG GLU A 98 4.406 -15.362 4.483 1.00 14.32 C ATOM 1570 CD GLU A 98 3.856 -16.494 5.328 1.00 13.22 C ATOM 1571 OE1 GLU A 98 4.664 -17.253 5.902 1.00 14.24 O ATOM 1572 OE2 GLU A 98 2.617 -16.619 5.415 1.00 65.24 O ATOM 0 H GLU A 98 4.807 -13.025 3.384 1.00 62.21 H new ATOM 0 HA GLU A 98 4.155 -13.082 6.051 1.00 2.02 H new ATOM 0 HB2 GLU A 98 6.390 -14.573 4.618 1.00 62.04 H new ATOM 0 HB3 GLU A 98 5.695 -15.036 6.159 1.00 62.04 H new ATOM 0 HG2 GLU A 98 3.590 -14.700 4.194 1.00 14.32 H new ATOM 0 HG3 GLU A 98 4.826 -15.771 3.564 1.00 14.32 H new ATOM 1579 N GLY A 99 7.320 -12.204 5.617 1.00 11.11 N ATOM 1580 CA GLY A 99 8.430 -11.540 6.275 1.00 34.44 C ATOM 1581 C GLY A 99 8.032 -10.215 6.892 1.00 22.13 C ATOM 1582 O GLY A 99 8.597 -9.797 7.902 1.00 41.21 O ATOM 0 H GLY A 99 7.504 -12.499 4.658 1.00 11.11 H new ATOM 0 HA2 GLY A 99 8.831 -12.192 7.051 1.00 34.44 H new ATOM 0 HA3 GLY A 99 9.230 -11.375 5.553 1.00 34.44 H new ATOM 1586 N ALA A 100 7.055 -9.551 6.282 1.00 11.45 N ATOM 1587 CA ALA A 100 6.581 -8.265 6.777 1.00 13.02 C ATOM 1588 C ALA A 100 5.938 -8.409 8.152 1.00 73.22 C ATOM 1589 O ALA A 100 6.125 -7.565 9.029 1.00 2.51 O ATOM 1590 CB ALA A 100 5.595 -7.651 5.794 1.00 33.20 C ATOM 0 H ALA A 100 6.577 -9.883 5.444 1.00 11.45 H new ATOM 0 HA ALA A 100 7.441 -7.602 6.874 1.00 13.02 H new ATOM 0 HB1 ALA A 100 5.249 -6.691 6.177 1.00 33.20 H new ATOM 0 HB2 ALA A 100 6.085 -7.503 4.832 1.00 33.20 H new ATOM 0 HB3 ALA A 100 4.743 -8.319 5.668 1.00 33.20 H new ATOM 1596 N LYS A 101 5.179 -9.485 8.336 1.00 1.20 N ATOM 1597 CA LYS A 101 4.509 -9.741 9.604 1.00 65.22 C ATOM 1598 C LYS A 101 5.511 -10.164 10.674 1.00 21.23 C ATOM 1599 O LYS A 101 5.193 -10.179 11.862 1.00 50.14 O ATOM 1600 CB LYS A 101 3.443 -10.826 9.431 1.00 43.05 C ATOM 1601 CG LYS A 101 2.159 -10.545 10.192 1.00 41.41 C ATOM 1602 CD LYS A 101 1.612 -11.802 10.848 1.00 12.42 C ATOM 1603 CE LYS A 101 2.356 -12.129 12.133 1.00 33.12 C ATOM 1604 NZ LYS A 101 3.039 -13.451 12.057 1.00 10.35 N ATOM 0 H LYS A 101 5.013 -10.194 7.621 1.00 1.20 H new ATOM 0 HA LYS A 101 4.029 -8.817 9.926 1.00 65.22 H new ATOM 0 HB2 LYS A 101 3.212 -10.930 8.371 1.00 43.05 H new ATOM 0 HB3 LYS A 101 3.851 -11.780 9.764 1.00 43.05 H new ATOM 0 HG2 LYS A 101 2.345 -9.788 10.954 1.00 41.41 H new ATOM 0 HG3 LYS A 101 1.413 -10.135 9.510 1.00 41.41 H new ATOM 0 HD2 LYS A 101 0.552 -11.669 11.064 1.00 12.42 H new ATOM 0 HD3 LYS A 101 1.694 -12.640 10.156 1.00 12.42 H new ATOM 0 HE2 LYS A 101 3.092 -11.351 12.335 1.00 33.12 H new ATOM 0 HE3 LYS A 101 1.656 -12.129 12.968 1.00 33.12 H new ATOM 0 HZ1 LYS A 101 3.535 -13.638 12.952 1.00 10.35 H new ATOM 0 HZ2 LYS A 101 2.334 -14.197 11.890 1.00 10.35 H new ATOM 0 HZ3 LYS A 101 3.726 -13.443 11.276 1.00 10.35 H new ATOM 1618 N GLN A 102 6.721 -10.506 10.243 1.00 4.50 N ATOM 1619 CA GLN A 102 7.769 -10.928 11.165 1.00 1.44 C ATOM 1620 C GLN A 102 8.498 -9.722 11.748 1.00 52.23 C ATOM 1621 O GLN A 102 8.793 -9.682 12.943 1.00 53.41 O ATOM 1622 CB GLN A 102 8.764 -11.846 10.453 1.00 2.42 C ATOM 1623 CG GLN A 102 8.944 -13.192 11.134 1.00 13.12 C ATOM 1624 CD GLN A 102 9.885 -13.125 12.320 1.00 14.15 C ATOM 1625 OE1 GLN A 102 10.392 -12.057 12.665 1.00 75.44 O ATOM 1626 NE2 GLN A 102 10.125 -14.268 12.952 1.00 23.11 N ATOM 0 H GLN A 102 7.000 -10.499 9.262 1.00 4.50 H new ATOM 0 HA GLN A 102 7.301 -11.476 11.982 1.00 1.44 H new ATOM 0 HB2 GLN A 102 8.427 -12.008 9.429 1.00 2.42 H new ATOM 0 HB3 GLN A 102 9.730 -11.345 10.395 1.00 2.42 H new ATOM 0 HG2 GLN A 102 7.973 -13.560 11.466 1.00 13.12 H new ATOM 0 HG3 GLN A 102 9.327 -13.912 10.411 1.00 13.12 H new ATOM 0 HE21 GLN A 102 9.683 -15.130 12.632 1.00 23.11 H new ATOM 0 HE22 GLN A 102 10.751 -14.284 13.757 1.00 23.11 H new ATOM 1635 N ILE A 103 8.786 -8.742 10.898 1.00 21.55 N ATOM 1636 CA ILE A 103 9.481 -7.536 11.331 1.00 4.44 C ATOM 1637 C ILE A 103 8.596 -6.687 12.237 1.00 63.42 C ATOM 1638 O ILE A 103 9.069 -6.097 13.208 1.00 41.21 O ATOM 1639 CB ILE A 103 9.931 -6.684 10.129 1.00 13.11 C ATOM 1640 CG1 ILE A 103 10.947 -7.454 9.283 1.00 14.32 C ATOM 1641 CG2 ILE A 103 10.521 -5.365 10.606 1.00 30.30 C ATOM 1642 CD1 ILE A 103 11.387 -6.710 8.040 1.00 70.44 C ATOM 0 H ILE A 103 8.549 -8.759 9.906 1.00 21.55 H new ATOM 0 HA ILE A 103 10.361 -7.861 11.887 1.00 4.44 H new ATOM 0 HB ILE A 103 9.061 -6.467 9.510 1.00 13.11 H new ATOM 0 HG12 ILE A 103 11.823 -7.675 9.893 1.00 14.32 H new ATOM 0 HG13 ILE A 103 10.513 -8.410 8.990 1.00 14.32 H new ATOM 0 HG21 ILE A 103 10.834 -4.774 9.745 1.00 30.30 H new ATOM 0 HG22 ILE A 103 9.769 -4.813 11.171 1.00 30.30 H new ATOM 0 HG23 ILE A 103 11.383 -5.561 11.244 1.00 30.30 H new ATOM 0 HD11 ILE A 103 12.107 -7.315 7.489 1.00 70.44 H new ATOM 0 HD12 ILE A 103 10.521 -6.512 7.409 1.00 70.44 H new ATOM 0 HD13 ILE A 103 11.851 -5.766 8.326 1.00 70.44 H new ATOM 1654 N VAL A 104 7.308 -6.633 11.915 1.00 65.41 N ATOM 1655 CA VAL A 104 6.355 -5.860 12.702 1.00 65.14 C ATOM 1656 C VAL A 104 6.181 -6.456 14.096 1.00 2.23 C ATOM 1657 O VAL A 104 6.334 -5.762 15.101 1.00 63.32 O ATOM 1658 CB VAL A 104 4.980 -5.791 12.011 1.00 74.03 C ATOM 1659 CG1 VAL A 104 3.992 -5.009 12.863 1.00 11.23 C ATOM 1660 CG2 VAL A 104 5.110 -5.171 10.628 1.00 34.55 C ATOM 0 H VAL A 104 6.900 -7.116 11.114 1.00 65.41 H new ATOM 0 HA VAL A 104 6.761 -4.852 12.788 1.00 65.14 H new ATOM 0 HB VAL A 104 4.600 -6.806 11.896 1.00 74.03 H new ATOM 0 HG11 VAL A 104 3.027 -4.971 12.358 1.00 11.23 H new ATOM 0 HG12 VAL A 104 3.877 -5.500 13.830 1.00 11.23 H new ATOM 0 HG13 VAL A 104 4.363 -3.995 13.012 1.00 11.23 H new ATOM 0 HG21 VAL A 104 4.129 -5.130 10.154 1.00 34.55 H new ATOM 0 HG22 VAL A 104 5.512 -4.162 10.718 1.00 34.55 H new ATOM 0 HG23 VAL A 104 5.782 -5.776 10.020 1.00 34.55 H new ATOM 1670 N ARG A 105 5.862 -7.745 14.146 1.00 4.51 N ATOM 1671 CA ARG A 105 5.666 -8.433 15.416 1.00 72.40 C ATOM 1672 C ARG A 105 6.934 -8.383 16.263 1.00 11.04 C ATOM 1673 O ARG A 105 6.889 -8.572 17.478 1.00 63.23 O ATOM 1674 CB ARG A 105 5.259 -9.889 15.174 1.00 13.24 C ATOM 1675 CG ARG A 105 5.213 -10.727 16.441 1.00 45.21 C ATOM 1676 CD ARG A 105 6.476 -11.557 16.607 1.00 23.52 C ATOM 1677 NE ARG A 105 6.357 -12.521 17.698 1.00 15.31 N ATOM 1678 CZ ARG A 105 7.132 -13.594 17.817 1.00 43.13 C ATOM 1679 NH1 ARG A 105 8.075 -13.838 16.918 1.00 73.34 N ATOM 1680 NH2 ARG A 105 6.964 -14.425 18.838 1.00 50.43 N ATOM 0 H ARG A 105 5.734 -8.333 13.323 1.00 4.51 H new ATOM 0 HA ARG A 105 4.868 -7.924 15.957 1.00 72.40 H new ATOM 0 HB2 ARG A 105 4.278 -9.909 14.699 1.00 13.24 H new ATOM 0 HB3 ARG A 105 5.961 -10.342 14.474 1.00 13.24 H new ATOM 0 HG2 ARG A 105 5.089 -10.075 17.305 1.00 45.21 H new ATOM 0 HG3 ARG A 105 4.345 -11.386 16.411 1.00 45.21 H new ATOM 0 HD2 ARG A 105 6.687 -12.086 15.677 1.00 23.52 H new ATOM 0 HD3 ARG A 105 7.322 -10.896 16.797 1.00 23.52 H new ATOM 0 HE ARG A 105 5.641 -12.362 18.406 1.00 15.31 H new ATOM 0 HH11 ARG A 105 8.207 -13.201 16.132 1.00 73.34 H new ATOM 0 HH12 ARG A 105 8.668 -14.662 17.012 1.00 73.34 H new ATOM 0 HH21 ARG A 105 6.240 -14.240 19.532 1.00 50.43 H new ATOM 0 HH22 ARG A 105 7.559 -15.248 18.929 1.00 50.43 H new ATOM 1694 N ARG A 106 8.064 -8.127 15.612 1.00 10.33 N ATOM 1695 CA ARG A 106 9.345 -8.052 16.305 1.00 24.43 C ATOM 1696 C ARG A 106 9.455 -6.761 17.108 1.00 12.41 C ATOM 1697 O ARG A 106 10.117 -6.716 18.146 1.00 22.34 O ATOM 1698 CB ARG A 106 10.497 -8.142 15.302 1.00 20.23 C ATOM 1699 CG ARG A 106 11.808 -8.599 15.920 1.00 35.54 C ATOM 1700 CD ARG A 106 12.768 -9.126 14.864 1.00 1.34 C ATOM 1701 NE ARG A 106 13.085 -10.536 15.065 1.00 62.43 N ATOM 1702 CZ ARG A 106 13.730 -11.280 14.173 1.00 62.33 C ATOM 1703 NH1 ARG A 106 14.126 -10.748 13.025 1.00 61.02 N ATOM 1704 NH2 ARG A 106 13.982 -12.558 14.429 1.00 42.55 N ATOM 0 H ARG A 106 8.119 -7.968 14.606 1.00 10.33 H new ATOM 0 HA ARG A 106 9.406 -8.894 16.995 1.00 24.43 H new ATOM 0 HB2 ARG A 106 10.221 -8.832 14.505 1.00 20.23 H new ATOM 0 HB3 ARG A 106 10.643 -7.165 14.841 1.00 20.23 H new ATOM 0 HG2 ARG A 106 12.271 -7.767 16.451 1.00 35.54 H new ATOM 0 HG3 ARG A 106 11.612 -9.378 16.657 1.00 35.54 H new ATOM 0 HD2 ARG A 106 12.329 -8.991 13.876 1.00 1.34 H new ATOM 0 HD3 ARG A 106 13.688 -8.541 14.887 1.00 1.34 H new ATOM 0 HE ARG A 106 12.795 -10.975 15.939 1.00 62.43 H new ATOM 0 HH11 ARG A 106 13.936 -9.766 12.825 1.00 61.02 H new ATOM 0 HH12 ARG A 106 14.621 -11.321 12.341 1.00 61.02 H new ATOM 0 HH21 ARG A 106 13.680 -12.970 15.312 1.00 42.55 H new ATOM 0 HH22 ARG A 106 14.477 -13.128 13.743 1.00 42.55 H new ATOM 1718 N HIS A 107 8.802 -5.710 16.621 1.00 13.25 N ATOM 1719 CA HIS A 107 8.826 -4.415 17.293 1.00 54.23 C ATOM 1720 C HIS A 107 7.788 -4.365 18.411 1.00 25.03 C ATOM 1721 O HIS A 107 8.037 -3.652 19.384 1.00 63.50 O ATOM 1722 CB HIS A 107 8.568 -3.290 16.290 1.00 43.01 C ATOM 1723 CG HIS A 107 9.772 -2.924 15.478 1.00 53.05 C ATOM 1724 ND1 HIS A 107 10.946 -2.463 16.037 1.00 44.10 N ATOM 1725 CD2 HIS A 107 9.981 -2.953 14.141 1.00 1.32 C ATOM 1726 CE1 HIS A 107 11.823 -2.224 15.078 1.00 63.34 C ATOM 1727 NE2 HIS A 107 11.262 -2.515 13.919 1.00 4.44 N ATOM 0 H HIS A 107 8.250 -5.730 15.764 1.00 13.25 H new ATOM 0 HA HIS A 107 9.814 -4.279 17.732 1.00 54.23 H new ATOM 0 HB2 HIS A 107 7.764 -3.591 15.618 1.00 43.01 H new ATOM 0 HB3 HIS A 107 8.221 -2.408 16.828 1.00 43.01 H new ATOM 0 HD2 HIS A 107 9.271 -3.263 13.389 1.00 1.32 H new ATOM 0 HE1 HIS A 107 12.828 -1.854 15.218 1.00 63.34 H new ATOM 0 HE2 HIS A 107 11.709 -2.428 13.006 1.00 4.44 H new ATOM 1735 N LEU A 108 6.670 -5.076 18.301 1.00 51.21 N ATOM 1736 CA LEU A 108 5.648 -5.060 19.343 1.00 15.42 C ATOM 1737 C LEU A 108 6.108 -5.844 20.567 1.00 25.43 C ATOM 1738 O LEU A 108 5.887 -5.426 21.704 1.00 72.24 O ATOM 1739 CB LEU A 108 4.340 -5.643 18.809 1.00 63.12 C ATOM 1740 CG LEU A 108 3.719 -4.918 17.614 1.00 30.10 C ATOM 1741 CD1 LEU A 108 2.514 -5.685 17.092 1.00 3.12 C ATOM 1742 CD2 LEU A 108 3.327 -3.499 17.997 1.00 20.04 C ATOM 0 H LEU A 108 6.449 -5.670 17.502 1.00 51.21 H new ATOM 0 HA LEU A 108 5.481 -4.025 19.640 1.00 15.42 H new ATOM 0 HB2 LEU A 108 4.517 -6.681 18.527 1.00 63.12 H new ATOM 0 HB3 LEU A 108 3.612 -5.653 19.620 1.00 63.12 H new ATOM 0 HG LEU A 108 4.462 -4.865 16.818 1.00 30.10 H new ATOM 0 HD11 LEU A 108 2.085 -5.154 16.242 1.00 3.12 H new ATOM 0 HD12 LEU A 108 2.825 -6.681 16.778 1.00 3.12 H new ATOM 0 HD13 LEU A 108 1.767 -5.770 17.881 1.00 3.12 H new ATOM 0 HD21 LEU A 108 2.887 -2.998 17.135 1.00 20.04 H new ATOM 0 HD22 LEU A 108 2.601 -3.529 18.809 1.00 20.04 H new ATOM 0 HD23 LEU A 108 4.212 -2.952 18.322 1.00 20.04 H new