USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=15 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= -0.279 USER MOD Set 1.2: A 97 THR OG1 : rot -106:sc= 0.722 USER MOD Set 2.1: A 80 ASN : amide:sc= 0.046 K(o=0.13,f=-2.5!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ 174:sc= 0.085 (180deg=0) 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+ -170:sc= 0 (180deg=-0.0337) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-11!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 0.0669 (180deg=-2.09!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.616 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -100:sc= -0.348 USER MOD Single : A 58 GLN : amide:sc=-0.00876 K(o=-0.0088,f=-0.75) 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 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 91:sc= 0.262 USER MOD Single : A 72 SER OG : rot 180:sc= -0.103 USER MOD Single : A 74 ASN : amide:sc= -0.0801 K(o=-0.08,f=-2.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 84:sc= 0.16 USER MOD Single : A 81 THR OG1 : rot 72:sc= 0.843 USER MOD Single : A 83 CYS SG : rot -70:sc= 1.13 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.221 USER MOD Single : A 89 HIS : no HD1:sc= -0.96 X(o=-0.96,f=-1.2) 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 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.483 K(o=-0.48,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 3.897 6.945 -3.955 1.00 13.24 N ATOM 103 CA ARG A 9 4.957 7.895 -4.270 1.00 54.24 C ATOM 104 C ARG A 9 5.846 7.364 -5.391 1.00 44.30 C ATOM 105 O ARG A 9 5.561 6.325 -5.984 1.00 54.01 O ATOM 106 CB ARG A 9 5.801 8.184 -3.027 1.00 73.13 C ATOM 107 CG ARG A 9 5.881 9.660 -2.676 1.00 4.21 C ATOM 108 CD ARG A 9 6.534 9.874 -1.319 1.00 33.44 C ATOM 109 NE ARG A 9 6.179 11.166 -0.739 1.00 32.14 N ATOM 110 CZ ARG A 9 6.760 11.670 0.345 1.00 73.24 C ATOM 111 NH1 ARG A 9 7.719 10.993 0.962 1.00 75.43 N ATOM 112 NH2 ARG A 9 6.382 12.852 0.813 1.00 31.12 N ATOM 0 HA ARG A 9 4.492 8.822 -4.606 1.00 54.24 H new ATOM 0 HB2 ARG A 9 5.383 7.640 -2.180 1.00 73.13 H new ATOM 0 HB3 ARG A 9 6.809 7.802 -3.186 1.00 73.13 H new ATOM 0 HG2 ARG A 9 6.450 10.187 -3.442 1.00 4.21 H new ATOM 0 HG3 ARG A 9 4.879 10.089 -2.671 1.00 4.21 H new ATOM 0 HD2 ARG A 9 6.231 9.076 -0.641 1.00 33.44 H new ATOM 0 HD3 ARG A 9 7.617 9.809 -1.423 1.00 33.44 H new ATOM 0 HE ARG A 9 5.445 11.712 -1.190 1.00 32.14 H new ATOM 0 HH11 ARG A 9 8.012 10.084 0.605 1.00 75.43 H new ATOM 0 HH12 ARG A 9 8.164 11.382 1.794 1.00 75.43 H new ATOM 0 HH21 ARG A 9 5.645 13.375 0.341 1.00 31.12 H new ATOM 0 HH22 ARG A 9 6.829 13.238 1.645 1.00 31.12 H new ATOM 126 N GLY A 10 6.926 8.087 -5.675 1.00 22.00 N ATOM 127 CA GLY A 10 7.841 7.673 -6.723 1.00 54.51 C ATOM 128 C GLY A 10 8.933 6.757 -6.210 1.00 44.21 C ATOM 129 O GLY A 10 9.114 5.648 -6.715 1.00 54.45 O ATOM 0 H GLY A 10 7.183 8.951 -5.198 1.00 22.00 H new ATOM 0 HA2 GLY A 10 7.283 7.163 -7.508 1.00 54.51 H new ATOM 0 HA3 GLY A 10 8.294 8.555 -7.175 1.00 54.51 H new ATOM 133 N LYS A 11 9.668 7.220 -5.205 1.00 12.12 N ATOM 134 CA LYS A 11 10.751 6.436 -4.623 1.00 21.32 C ATOM 135 C LYS A 11 10.201 5.295 -3.773 1.00 53.12 C ATOM 136 O LYS A 11 10.767 4.203 -3.738 1.00 41.13 O ATOM 137 CB LYS A 11 11.655 7.330 -3.771 1.00 42.11 C ATOM 138 CG LYS A 11 13.029 7.559 -4.377 1.00 22.23 C ATOM 139 CD LYS A 11 13.192 8.989 -4.863 1.00 43.04 C ATOM 140 CE LYS A 11 14.623 9.476 -4.690 1.00 61.12 C ATOM 141 NZ LYS A 11 14.965 10.550 -5.663 1.00 61.21 N ATOM 0 H LYS A 11 9.533 8.136 -4.776 1.00 12.12 H new ATOM 0 HA LYS A 11 11.336 6.010 -5.438 1.00 21.32 H new ATOM 0 HB2 LYS A 11 11.166 8.293 -3.625 1.00 42.11 H new ATOM 0 HB3 LYS A 11 11.772 6.880 -2.785 1.00 42.11 H new ATOM 0 HG2 LYS A 11 13.796 7.336 -3.636 1.00 22.23 H new ATOM 0 HG3 LYS A 11 13.180 6.871 -5.209 1.00 22.23 H new ATOM 0 HD2 LYS A 11 12.910 9.052 -5.914 1.00 43.04 H new ATOM 0 HD3 LYS A 11 12.515 9.641 -4.311 1.00 43.04 H new ATOM 0 HE2 LYS A 11 14.759 9.849 -3.675 1.00 61.12 H new ATOM 0 HE3 LYS A 11 15.309 8.639 -4.817 1.00 61.12 H new ATOM 0 HZ1 LYS A 11 15.948 10.855 -5.513 1.00 61.21 H new ATOM 0 HZ2 LYS A 11 14.859 10.187 -6.632 1.00 61.21 H new ATOM 0 HZ3 LYS A 11 14.327 11.359 -5.525 1.00 61.21 H new ATOM 155 N LYS A 12 9.091 5.555 -3.089 1.00 71.22 N ATOM 156 CA LYS A 12 8.461 4.550 -2.241 1.00 72.52 C ATOM 157 C LYS A 12 7.892 3.410 -3.080 1.00 71.22 C ATOM 158 O LYS A 12 8.015 2.240 -2.720 1.00 73.45 O ATOM 159 CB LYS A 12 7.350 5.184 -1.402 1.00 54.14 C ATOM 160 CG LYS A 12 7.836 6.298 -0.493 1.00 1.43 C ATOM 161 CD LYS A 12 8.277 5.764 0.860 1.00 61.43 C ATOM 162 CE LYS A 12 8.932 6.847 1.701 1.00 11.32 C ATOM 163 NZ LYS A 12 8.638 6.678 3.151 1.00 72.42 N ATOM 0 H LYS A 12 8.609 6.454 -3.106 1.00 71.22 H new ATOM 0 HA LYS A 12 9.222 4.143 -1.576 1.00 72.52 H new ATOM 0 HB2 LYS A 12 6.583 5.579 -2.068 1.00 54.14 H new ATOM 0 HB3 LYS A 12 6.878 4.411 -0.795 1.00 54.14 H new ATOM 0 HG2 LYS A 12 8.667 6.819 -0.968 1.00 1.43 H new ATOM 0 HG3 LYS A 12 7.039 7.029 -0.354 1.00 1.43 H new ATOM 0 HD2 LYS A 12 7.415 5.361 1.392 1.00 61.43 H new ATOM 0 HD3 LYS A 12 8.977 4.941 0.717 1.00 61.43 H new ATOM 0 HE2 LYS A 12 10.010 6.826 1.544 1.00 11.32 H new ATOM 0 HE3 LYS A 12 8.581 7.825 1.371 1.00 11.32 H new ATOM 0 HZ1 LYS A 12 9.103 7.436 3.690 1.00 72.42 H new ATOM 0 HZ2 LYS A 12 7.610 6.724 3.304 1.00 72.42 H new ATOM 0 HZ3 LYS A 12 8.995 5.756 3.472 1.00 72.42 H new ATOM 177 N ALA A 13 7.269 3.760 -4.201 1.00 51.11 N ATOM 178 CA ALA A 13 6.684 2.766 -5.092 1.00 72.35 C ATOM 179 C ALA A 13 7.705 1.699 -5.471 1.00 12.15 C ATOM 180 O ALA A 13 7.362 0.528 -5.632 1.00 22.53 O ATOM 181 CB ALA A 13 6.131 3.437 -6.341 1.00 13.22 C ATOM 0 H ALA A 13 7.157 4.725 -4.513 1.00 51.11 H new ATOM 0 HA ALA A 13 5.866 2.277 -4.563 1.00 72.35 H new ATOM 0 HB1 ALA A 13 5.697 2.683 -6.997 1.00 13.22 H new ATOM 0 HB2 ALA A 13 5.363 4.157 -6.058 1.00 13.22 H new ATOM 0 HB3 ALA A 13 6.936 3.953 -6.864 1.00 13.22 H new ATOM 187 N ASP A 14 8.960 2.112 -5.613 1.00 21.43 N ATOM 188 CA ASP A 14 10.032 1.191 -5.973 1.00 35.14 C ATOM 189 C ASP A 14 10.154 0.071 -4.945 1.00 12.14 C ATOM 190 O ASP A 14 10.590 -1.034 -5.266 1.00 3.15 O ATOM 191 CB ASP A 14 11.360 1.940 -6.088 1.00 10.31 C ATOM 192 CG ASP A 14 12.308 1.291 -7.077 1.00 30.33 C ATOM 193 OD1 ASP A 14 12.080 1.429 -8.297 1.00 11.14 O ATOM 194 OD2 ASP A 14 13.277 0.643 -6.630 1.00 64.24 O ATOM 0 H ASP A 14 9.260 3.078 -5.484 1.00 21.43 H new ATOM 0 HA ASP A 14 9.788 0.749 -6.939 1.00 35.14 H new ATOM 0 HB2 ASP A 14 11.168 2.968 -6.394 1.00 10.31 H new ATOM 0 HB3 ASP A 14 11.835 1.983 -5.108 1.00 10.31 H new ATOM 199 N GLU A 15 9.765 0.365 -3.707 1.00 20.10 N ATOM 200 CA GLU A 15 9.833 -0.618 -2.632 1.00 64.21 C ATOM 201 C GLU A 15 8.554 -1.447 -2.571 1.00 13.13 C ATOM 202 O GLU A 15 8.599 -2.670 -2.429 1.00 43.12 O ATOM 203 CB GLU A 15 10.068 0.078 -1.290 1.00 0.04 C ATOM 204 CG GLU A 15 11.531 0.144 -0.886 1.00 11.13 C ATOM 205 CD GLU A 15 12.415 0.707 -1.982 1.00 15.21 C ATOM 206 OE1 GLU A 15 12.363 1.934 -2.212 1.00 73.21 O ATOM 207 OE2 GLU A 15 13.155 -0.077 -2.610 1.00 2.33 O ATOM 0 H GLU A 15 9.400 1.275 -3.425 1.00 20.10 H new ATOM 0 HA GLU A 15 10.669 -1.287 -2.838 1.00 64.21 H new ATOM 0 HB2 GLU A 15 9.668 1.091 -1.341 1.00 0.04 H new ATOM 0 HB3 GLU A 15 9.509 -0.447 -0.515 1.00 0.04 H new ATOM 0 HG2 GLU A 15 11.630 0.760 0.008 1.00 11.13 H new ATOM 0 HG3 GLU A 15 11.877 -0.856 -0.623 1.00 11.13 H new ATOM 214 N LEU A 16 7.414 -0.773 -2.678 1.00 21.54 N ATOM 215 CA LEU A 16 6.121 -1.447 -2.634 1.00 74.02 C ATOM 216 C LEU A 16 5.967 -2.407 -3.809 1.00 74.24 C ATOM 217 O LEU A 16 5.643 -3.580 -3.626 1.00 60.41 O ATOM 218 CB LEU A 16 4.988 -0.419 -2.649 1.00 52.23 C ATOM 219 CG LEU A 16 3.603 -0.941 -2.265 1.00 54.02 C ATOM 220 CD1 LEU A 16 3.016 -1.779 -3.390 1.00 41.44 C ATOM 221 CD2 LEU A 16 3.676 -1.750 -0.978 1.00 62.44 C ATOM 0 H LEU A 16 7.359 0.239 -2.796 1.00 21.54 H new ATOM 0 HA LEU A 16 6.070 -2.022 -1.710 1.00 74.02 H new ATOM 0 HB2 LEU A 16 5.250 0.391 -1.969 1.00 52.23 H new ATOM 0 HB3 LEU A 16 4.928 0.011 -3.649 1.00 52.23 H new ATOM 0 HG LEU A 16 2.948 -0.086 -2.097 1.00 54.02 H new ATOM 0 HD11 LEU A 16 2.030 -2.141 -3.098 1.00 41.44 H new ATOM 0 HD12 LEU A 16 2.927 -1.169 -4.289 1.00 41.44 H new ATOM 0 HD13 LEU A 16 3.670 -2.628 -3.591 1.00 41.44 H new ATOM 0 HD21 LEU A 16 2.681 -2.114 -0.720 1.00 62.44 H new ATOM 0 HD22 LEU A 16 4.347 -2.597 -1.119 1.00 62.44 H new ATOM 0 HD23 LEU A 16 4.052 -1.119 -0.173 1.00 62.44 H new ATOM 233 N GLU A 17 6.203 -1.901 -5.016 1.00 71.31 N ATOM 234 CA GLU A 17 6.092 -2.715 -6.221 1.00 12.24 C ATOM 235 C GLU A 17 7.154 -3.811 -6.237 1.00 13.34 C ATOM 236 O GLU A 17 7.067 -4.762 -7.013 1.00 65.24 O ATOM 237 CB GLU A 17 6.227 -1.840 -7.468 1.00 51.22 C ATOM 238 CG GLU A 17 5.027 -0.942 -7.716 1.00 21.52 C ATOM 239 CD GLU A 17 4.062 -1.525 -8.730 1.00 33.23 C ATOM 240 OE1 GLU A 17 3.204 -2.341 -8.330 1.00 23.11 O ATOM 241 OE2 GLU A 17 4.163 -1.166 -9.921 1.00 15.34 O ATOM 0 H GLU A 17 6.472 -0.932 -5.185 1.00 71.31 H new ATOM 0 HA GLU A 17 5.109 -3.186 -6.221 1.00 12.24 H new ATOM 0 HB2 GLU A 17 7.119 -1.221 -7.372 1.00 51.22 H new ATOM 0 HB3 GLU A 17 6.376 -2.481 -8.337 1.00 51.22 H new ATOM 0 HG2 GLU A 17 4.502 -0.775 -6.775 1.00 21.52 H new ATOM 0 HG3 GLU A 17 5.372 0.031 -8.066 1.00 21.52 H new ATOM 248 N ARG A 18 8.154 -3.669 -5.373 1.00 63.10 N ATOM 249 CA ARG A 18 9.234 -4.645 -5.289 1.00 63.21 C ATOM 250 C ARG A 18 8.832 -5.827 -4.411 1.00 44.24 C ATOM 251 O ARG A 18 9.004 -6.984 -4.795 1.00 33.12 O ATOM 252 CB ARG A 18 10.500 -3.991 -4.733 1.00 52.43 C ATOM 253 CG ARG A 18 11.598 -4.983 -4.388 1.00 20.25 C ATOM 254 CD ARG A 18 12.020 -5.792 -5.605 1.00 4.15 C ATOM 255 NE ARG A 18 13.372 -6.326 -5.464 1.00 44.31 N ATOM 256 CZ ARG A 18 14.471 -5.598 -5.634 1.00 63.43 C ATOM 257 NH1 ARG A 18 14.378 -4.314 -5.948 1.00 71.31 N ATOM 258 NH2 ARG A 18 15.667 -6.157 -5.489 1.00 72.20 N ATOM 0 H ARG A 18 8.239 -2.888 -4.722 1.00 63.10 H new ATOM 0 HA ARG A 18 9.435 -5.013 -6.295 1.00 63.21 H new ATOM 0 HB2 ARG A 18 10.882 -3.279 -5.465 1.00 52.43 H new ATOM 0 HB3 ARG A 18 10.242 -3.422 -3.840 1.00 52.43 H new ATOM 0 HG2 ARG A 18 12.460 -4.449 -3.988 1.00 20.25 H new ATOM 0 HG3 ARG A 18 11.249 -5.656 -3.605 1.00 20.25 H new ATOM 0 HD2 ARG A 18 11.319 -6.613 -5.755 1.00 4.15 H new ATOM 0 HD3 ARG A 18 11.969 -5.163 -6.494 1.00 4.15 H new ATOM 0 HE ARG A 18 13.479 -7.311 -5.222 1.00 44.31 H new ATOM 0 HH11 ARG A 18 13.461 -3.881 -6.060 1.00 71.31 H new ATOM 0 HH12 ARG A 18 15.223 -3.758 -6.078 1.00 71.31 H new ATOM 0 HH21 ARG A 18 15.742 -7.145 -5.247 1.00 72.20 H new ATOM 0 HH22 ARG A 18 16.510 -5.598 -5.620 1.00 72.20 H new ATOM 272 N ILE A 19 8.297 -5.526 -3.232 1.00 43.04 N ATOM 273 CA ILE A 19 7.870 -6.563 -2.301 1.00 64.22 C ATOM 274 C ILE A 19 6.960 -7.576 -2.986 1.00 54.12 C ATOM 275 O ILE A 19 6.018 -7.206 -3.686 1.00 52.52 O ATOM 276 CB ILE A 19 7.133 -5.963 -1.090 1.00 12.23 C ATOM 277 CG1 ILE A 19 8.038 -4.974 -0.352 1.00 51.50 C ATOM 278 CG2 ILE A 19 6.669 -7.067 -0.151 1.00 50.31 C ATOM 279 CD1 ILE A 19 7.323 -3.717 0.094 1.00 31.32 C ATOM 0 H ILE A 19 8.149 -4.573 -2.899 1.00 43.04 H new ATOM 0 HA ILE A 19 8.772 -7.066 -1.954 1.00 64.22 H new ATOM 0 HB ILE A 19 6.255 -5.425 -1.449 1.00 12.23 H new ATOM 0 HG12 ILE A 19 8.467 -5.467 0.520 1.00 51.50 H new ATOM 0 HG13 ILE A 19 8.868 -4.699 -1.002 1.00 51.50 H new ATOM 0 HG21 ILE A 19 6.150 -6.626 0.700 1.00 50.31 H new ATOM 0 HG22 ILE A 19 5.992 -7.736 -0.682 1.00 50.31 H new ATOM 0 HG23 ILE A 19 7.532 -7.630 0.203 1.00 50.31 H new ATOM 0 HD11 ILE A 19 8.026 -3.062 0.610 1.00 31.32 H new ATOM 0 HD12 ILE A 19 6.918 -3.201 -0.776 1.00 31.32 H new ATOM 0 HD13 ILE A 19 6.510 -3.981 0.770 1.00 31.32 H new ATOM 291 N ARG A 20 7.247 -8.857 -2.777 1.00 74.21 N ATOM 292 CA ARG A 20 6.453 -9.925 -3.373 1.00 44.53 C ATOM 293 C ARG A 20 5.385 -10.417 -2.401 1.00 44.13 C ATOM 294 O ARG A 20 5.639 -10.562 -1.204 1.00 42.13 O ATOM 295 CB ARG A 20 7.355 -11.088 -3.790 1.00 4.22 C ATOM 296 CG ARG A 20 8.544 -10.664 -4.637 1.00 31.14 C ATOM 297 CD ARG A 20 9.161 -11.849 -5.363 1.00 73.11 C ATOM 298 NE ARG A 20 10.549 -11.598 -5.741 1.00 15.03 N ATOM 299 CZ ARG A 20 11.544 -11.515 -4.866 1.00 4.23 C ATOM 300 NH1 ARG A 20 11.307 -11.664 -3.570 1.00 24.15 N ATOM 301 NH2 ARG A 20 12.782 -11.284 -5.287 1.00 34.12 N ATOM 0 H ARG A 20 8.023 -9.180 -2.200 1.00 74.21 H new ATOM 0 HA ARG A 20 5.957 -9.524 -4.257 1.00 44.53 H new ATOM 0 HB2 ARG A 20 7.719 -11.593 -2.895 1.00 4.22 H new ATOM 0 HB3 ARG A 20 6.763 -11.814 -4.348 1.00 4.22 H new ATOM 0 HG2 ARG A 20 8.226 -9.916 -5.363 1.00 31.14 H new ATOM 0 HG3 ARG A 20 9.295 -10.193 -4.002 1.00 31.14 H new ATOM 0 HD2 ARG A 20 9.113 -12.730 -4.724 1.00 73.11 H new ATOM 0 HD3 ARG A 20 8.577 -12.071 -6.256 1.00 73.11 H new ATOM 0 HE ARG A 20 10.766 -11.480 -6.731 1.00 15.03 H new ATOM 0 HH11 ARG A 20 10.358 -11.843 -3.242 1.00 24.15 H new ATOM 0 HH12 ARG A 20 12.074 -11.600 -2.901 1.00 24.15 H new ATOM 0 HH21 ARG A 20 12.969 -11.170 -6.283 1.00 34.12 H new ATOM 0 HH22 ARG A 20 13.546 -11.220 -4.614 1.00 34.12 H new ATOM 315 N LEU A 21 4.190 -10.673 -2.922 1.00 4.32 N ATOM 316 CA LEU A 21 3.083 -11.148 -2.101 1.00 3.05 C ATOM 317 C LEU A 21 3.469 -12.420 -1.351 1.00 32.23 C ATOM 318 O LEU A 21 2.916 -12.720 -0.293 1.00 74.43 O ATOM 319 CB LEU A 21 1.852 -11.408 -2.969 1.00 60.04 C ATOM 320 CG LEU A 21 1.006 -10.183 -3.319 1.00 34.33 C ATOM 321 CD1 LEU A 21 -0.124 -10.565 -4.263 1.00 23.01 C ATOM 322 CD2 LEU A 21 0.454 -9.539 -2.056 1.00 14.04 C ATOM 0 H LEU A 21 3.963 -10.559 -3.910 1.00 4.32 H new ATOM 0 HA LEU A 21 2.847 -10.374 -1.371 1.00 3.05 H new ATOM 0 HB2 LEU A 21 2.179 -11.876 -3.898 1.00 60.04 H new ATOM 0 HB3 LEU A 21 1.216 -12.129 -2.456 1.00 60.04 H new ATOM 0 HG LEU A 21 1.643 -9.458 -3.825 1.00 34.33 H new ATOM 0 HD11 LEU A 21 -0.715 -9.680 -4.500 1.00 23.01 H new ATOM 0 HD12 LEU A 21 0.293 -10.980 -5.181 1.00 23.01 H new ATOM 0 HD13 LEU A 21 -0.761 -11.309 -3.785 1.00 23.01 H new ATOM 0 HD21 LEU A 21 -0.146 -8.669 -2.323 1.00 14.04 H new ATOM 0 HD22 LEU A 21 -0.168 -10.258 -1.523 1.00 14.04 H new ATOM 0 HD23 LEU A 21 1.279 -9.228 -1.416 1.00 14.04 H new ATOM 334 N ARG A 22 4.421 -13.162 -1.906 1.00 20.50 N ATOM 335 CA ARG A 22 4.881 -14.401 -1.290 1.00 41.14 C ATOM 336 C ARG A 22 6.391 -14.558 -1.447 1.00 53.23 C ATOM 337 O ARG A 22 7.018 -13.938 -2.305 1.00 43.43 O ATOM 338 CB ARG A 22 4.164 -15.601 -1.912 1.00 64.11 C ATOM 339 CG ARG A 22 2.865 -15.964 -1.213 1.00 14.31 C ATOM 340 CD ARG A 22 2.553 -17.446 -1.351 1.00 3.42 C ATOM 341 NE ARG A 22 2.133 -17.793 -2.705 1.00 23.42 N ATOM 342 CZ ARG A 22 0.908 -17.582 -3.171 1.00 73.45 C ATOM 343 NH1 ARG A 22 -0.014 -17.026 -2.398 1.00 4.15 N ATOM 344 NH2 ARG A 22 0.602 -17.926 -4.416 1.00 33.00 N ATOM 0 H ARG A 22 4.889 -12.927 -2.781 1.00 20.50 H new ATOM 0 HA ARG A 22 4.647 -14.358 -0.226 1.00 41.14 H new ATOM 0 HB2 ARG A 22 3.955 -15.385 -2.960 1.00 64.11 H new ATOM 0 HB3 ARG A 22 4.831 -16.463 -1.891 1.00 64.11 H new ATOM 0 HG2 ARG A 22 2.933 -15.702 -0.157 1.00 14.31 H new ATOM 0 HG3 ARG A 22 2.048 -15.378 -1.634 1.00 14.31 H new ATOM 0 HD2 ARG A 22 3.435 -18.028 -1.085 1.00 3.42 H new ATOM 0 HD3 ARG A 22 1.767 -17.718 -0.647 1.00 3.42 H new ATOM 0 HE ARG A 22 2.818 -18.221 -3.327 1.00 23.42 H new ATOM 0 HH11 ARG A 22 0.216 -16.758 -1.441 1.00 4.15 H new ATOM 0 HH12 ARG A 22 -0.954 -16.866 -2.760 1.00 4.15 H new ATOM 0 HH21 ARG A 22 1.308 -18.353 -5.015 1.00 33.00 H new ATOM 0 HH22 ARG A 22 -0.339 -17.764 -4.773 1.00 33.00 H new ATOM 358 N PRO A 23 6.988 -15.407 -0.599 1.00 63.52 N ATOM 359 CA PRO A 23 8.432 -15.667 -0.625 1.00 35.14 C ATOM 360 C PRO A 23 8.859 -16.448 -1.862 1.00 54.54 C ATOM 361 O PRO A 23 9.960 -16.258 -2.378 1.00 1.11 O ATOM 362 CB PRO A 23 8.664 -16.499 0.640 1.00 63.03 C ATOM 363 CG PRO A 23 7.353 -17.154 0.908 1.00 45.22 C ATOM 364 CD PRO A 23 6.303 -16.182 0.449 1.00 71.12 C ATOM 0 HA PRO A 23 9.012 -14.745 -0.658 1.00 35.14 H new ATOM 0 HB2 PRO A 23 9.452 -17.237 0.490 1.00 63.03 H new ATOM 0 HB3 PRO A 23 8.971 -15.871 1.476 1.00 63.03 H new ATOM 0 HG2 PRO A 23 7.272 -18.099 0.371 1.00 45.22 H new ATOM 0 HG3 PRO A 23 7.239 -17.380 1.968 1.00 45.22 H new ATOM 0 HD2 PRO A 23 5.424 -16.695 0.059 1.00 71.12 H new ATOM 0 HD3 PRO A 23 5.964 -15.543 1.264 1.00 71.12 H new ATOM 372 N GLY A 24 7.980 -17.326 -2.336 1.00 41.54 N ATOM 373 CA GLY A 24 8.286 -18.121 -3.510 1.00 75.23 C ATOM 374 C GLY A 24 7.416 -17.758 -4.699 1.00 22.54 C ATOM 375 O GLY A 24 7.363 -18.493 -5.684 1.00 74.33 O ATOM 0 H GLY A 24 7.062 -17.500 -1.928 1.00 41.54 H new ATOM 0 HA2 GLY A 24 9.334 -17.983 -3.775 1.00 75.23 H new ATOM 0 HA3 GLY A 24 8.153 -19.177 -3.275 1.00 75.23 H new ATOM 379 N GLY A 25 6.733 -16.622 -4.605 1.00 34.52 N ATOM 380 CA GLY A 25 5.870 -16.185 -5.686 1.00 14.01 C ATOM 381 C GLY A 25 6.537 -15.160 -6.583 1.00 32.32 C ATOM 382 O GLY A 25 7.693 -14.797 -6.369 1.00 45.40 O ATOM 0 H GLY A 25 6.762 -15.997 -3.800 1.00 34.52 H new ATOM 0 HA2 GLY A 25 5.575 -17.048 -6.283 1.00 14.01 H new ATOM 0 HA3 GLY A 25 4.958 -15.759 -5.269 1.00 14.01 H new ATOM 386 N LYS A 26 5.808 -14.695 -7.591 1.00 74.44 N ATOM 387 CA LYS A 26 6.335 -13.707 -8.525 1.00 2.10 C ATOM 388 C LYS A 26 5.429 -12.482 -8.590 1.00 53.40 C ATOM 389 O LYS A 26 5.702 -11.533 -9.324 1.00 55.05 O ATOM 390 CB LYS A 26 6.482 -14.320 -9.919 1.00 74.42 C ATOM 391 CG LYS A 26 7.828 -14.983 -10.153 1.00 73.45 C ATOM 392 CD LYS A 26 8.368 -14.675 -11.540 1.00 2.53 C ATOM 393 CE LYS A 26 7.910 -15.706 -12.559 1.00 50.23 C ATOM 394 NZ LYS A 26 7.890 -15.150 -13.941 1.00 24.25 N ATOM 0 H LYS A 26 4.850 -14.987 -7.783 1.00 74.44 H new ATOM 0 HA LYS A 26 7.316 -13.393 -8.168 1.00 2.10 H new ATOM 0 HB2 LYS A 26 5.693 -15.057 -10.068 1.00 74.42 H new ATOM 0 HB3 LYS A 26 6.335 -13.541 -10.667 1.00 74.42 H new ATOM 0 HG2 LYS A 26 8.539 -14.641 -9.401 1.00 73.45 H new ATOM 0 HG3 LYS A 26 7.729 -16.062 -10.031 1.00 73.45 H new ATOM 0 HD2 LYS A 26 8.035 -13.684 -11.849 1.00 2.53 H new ATOM 0 HD3 LYS A 26 9.457 -14.651 -11.510 1.00 2.53 H new ATOM 0 HE2 LYS A 26 8.574 -16.570 -12.525 1.00 50.23 H new ATOM 0 HE3 LYS A 26 6.913 -16.059 -12.295 1.00 50.23 H new ATOM 0 HZ1 LYS A 26 7.572 -15.884 -14.606 1.00 24.25 H new ATOM 0 HZ2 LYS A 26 7.237 -14.341 -13.980 1.00 24.25 H new ATOM 0 HZ3 LYS A 26 8.846 -14.836 -14.203 1.00 24.25 H new ATOM 408 N LYS A 27 4.350 -12.507 -7.814 1.00 25.43 N ATOM 409 CA LYS A 27 3.404 -11.399 -7.780 1.00 44.52 C ATOM 410 C LYS A 27 3.859 -10.326 -6.796 1.00 45.22 C ATOM 411 O LYS A 27 4.450 -10.629 -5.760 1.00 20.23 O ATOM 412 CB LYS A 27 2.011 -11.900 -7.396 1.00 65.41 C ATOM 413 CG LYS A 27 1.434 -12.904 -8.379 1.00 35.01 C ATOM 414 CD LYS A 27 0.138 -13.507 -7.864 1.00 33.51 C ATOM 415 CE LYS A 27 -0.465 -14.475 -8.870 1.00 24.33 C ATOM 416 NZ LYS A 27 -0.016 -15.875 -8.630 1.00 43.24 N ATOM 0 H LYS A 27 4.109 -13.285 -7.199 1.00 25.43 H new ATOM 0 HA LYS A 27 3.362 -10.960 -8.777 1.00 44.52 H new ATOM 0 HB2 LYS A 27 2.058 -12.357 -6.408 1.00 65.41 H new ATOM 0 HB3 LYS A 27 1.335 -11.048 -7.321 1.00 65.41 H new ATOM 0 HG2 LYS A 27 1.254 -12.415 -9.336 1.00 35.01 H new ATOM 0 HG3 LYS A 27 2.160 -13.697 -8.558 1.00 35.01 H new ATOM 0 HD2 LYS A 27 0.326 -14.027 -6.925 1.00 33.51 H new ATOM 0 HD3 LYS A 27 -0.575 -12.711 -7.651 1.00 33.51 H new ATOM 0 HE2 LYS A 27 -1.552 -14.427 -8.813 1.00 24.33 H new ATOM 0 HE3 LYS A 27 -0.185 -14.172 -9.879 1.00 24.33 H new ATOM 0 HZ1 LYS A 27 -0.449 -16.504 -9.336 1.00 43.24 H new ATOM 0 HZ2 LYS A 27 1.020 -15.926 -8.709 1.00 43.24 H new ATOM 0 HZ3 LYS A 27 -0.305 -16.174 -7.677 1.00 43.24 H new ATOM 430 N LYS A 28 3.580 -9.069 -7.126 1.00 53.22 N ATOM 431 CA LYS A 28 3.957 -7.951 -6.270 1.00 12.43 C ATOM 432 C LYS A 28 2.725 -7.176 -5.812 1.00 40.22 C ATOM 433 O LYS A 28 1.648 -7.301 -6.396 1.00 64.34 O ATOM 434 CB LYS A 28 4.915 -7.014 -7.012 1.00 74.31 C ATOM 435 CG LYS A 28 6.284 -7.622 -7.266 1.00 15.31 C ATOM 436 CD LYS A 28 6.853 -7.173 -8.602 1.00 30.22 C ATOM 437 CE LYS A 28 7.326 -8.357 -9.431 1.00 23.11 C ATOM 438 NZ LYS A 28 8.435 -9.094 -8.764 1.00 23.20 N ATOM 0 H LYS A 28 3.094 -8.799 -7.981 1.00 53.22 H new ATOM 0 HA LYS A 28 4.459 -8.353 -5.390 1.00 12.43 H new ATOM 0 HB2 LYS A 28 4.469 -6.733 -7.966 1.00 74.31 H new ATOM 0 HB3 LYS A 28 5.035 -6.098 -6.434 1.00 74.31 H new ATOM 0 HG2 LYS A 28 6.965 -7.336 -6.464 1.00 15.31 H new ATOM 0 HG3 LYS A 28 6.210 -8.709 -7.248 1.00 15.31 H new ATOM 0 HD2 LYS A 28 6.094 -6.620 -9.155 1.00 30.22 H new ATOM 0 HD3 LYS A 28 7.685 -6.490 -8.433 1.00 30.22 H new ATOM 0 HE2 LYS A 28 6.491 -9.036 -9.604 1.00 23.11 H new ATOM 0 HE3 LYS A 28 7.659 -8.006 -10.408 1.00 23.11 H new ATOM 0 HZ1 LYS A 28 8.842 -9.784 -9.428 1.00 23.20 H new ATOM 0 HZ2 LYS A 28 9.171 -8.421 -8.469 1.00 23.20 H new ATOM 0 HZ3 LYS A 28 8.067 -9.593 -7.929 1.00 23.20 H new ATOM 452 N TYR A 29 2.890 -6.377 -4.765 1.00 3.42 N ATOM 453 CA TYR A 29 1.792 -5.582 -4.228 1.00 62.44 C ATOM 454 C TYR A 29 1.338 -4.530 -5.234 1.00 73.25 C ATOM 455 O TYR A 29 2.154 -3.937 -5.941 1.00 13.52 O ATOM 456 CB TYR A 29 2.213 -4.907 -2.922 1.00 1.10 C ATOM 457 CG TYR A 29 1.991 -5.765 -1.697 1.00 30.40 C ATOM 458 CD1 TYR A 29 0.712 -5.975 -1.195 1.00 2.43 C ATOM 459 CD2 TYR A 29 3.058 -6.366 -1.041 1.00 43.15 C ATOM 460 CE1 TYR A 29 0.504 -6.757 -0.076 1.00 4.34 C ATOM 461 CE2 TYR A 29 2.860 -7.151 0.077 1.00 30.22 C ATOM 462 CZ TYR A 29 1.581 -7.344 0.557 1.00 53.32 C ATOM 463 OH TYR A 29 1.379 -8.124 1.672 1.00 72.54 O ATOM 0 H TYR A 29 3.775 -6.262 -4.270 1.00 3.42 H new ATOM 0 HA TYR A 29 0.956 -6.253 -4.029 1.00 62.44 H new ATOM 0 HB2 TYR A 29 3.269 -4.643 -2.983 1.00 1.10 H new ATOM 0 HB3 TYR A 29 1.657 -3.976 -2.809 1.00 1.10 H new ATOM 0 HD1 TYR A 29 -0.133 -5.519 -1.688 1.00 2.43 H new ATOM 0 HD2 TYR A 29 4.061 -6.216 -1.413 1.00 43.15 H new ATOM 0 HE1 TYR A 29 -0.496 -6.909 0.302 1.00 4.34 H new ATOM 0 HE2 TYR A 29 3.702 -7.612 0.573 1.00 30.22 H new ATOM 0 HH TYR A 29 0.498 -8.550 1.618 1.00 72.54 H new ATOM 473 N ARG A 30 0.029 -4.302 -5.294 1.00 25.43 N ATOM 474 CA ARG A 30 -0.535 -3.323 -6.214 1.00 44.15 C ATOM 475 C ARG A 30 -1.745 -2.629 -5.595 1.00 31.42 C ATOM 476 O ARG A 30 -2.293 -3.092 -4.593 1.00 15.30 O ATOM 477 CB ARG A 30 -0.936 -3.996 -7.528 1.00 5.12 C ATOM 478 CG ARG A 30 -0.273 -3.387 -8.752 1.00 3.53 C ATOM 479 CD ARG A 30 -0.405 -4.293 -9.967 1.00 10.04 C ATOM 480 NE ARG A 30 -1.782 -4.732 -10.173 1.00 55.01 N ATOM 481 CZ ARG A 30 -2.127 -5.696 -11.019 1.00 21.52 C ATOM 482 NH1 ARG A 30 -1.199 -6.320 -11.733 1.00 52.30 N ATOM 483 NH2 ARG A 30 -3.402 -6.041 -11.152 1.00 2.22 N ATOM 0 H ARG A 30 -0.660 -4.783 -4.716 1.00 25.43 H new ATOM 0 HA ARG A 30 0.228 -2.572 -6.418 1.00 44.15 H new ATOM 0 HB2 ARG A 30 -0.681 -5.055 -7.476 1.00 5.12 H new ATOM 0 HB3 ARG A 30 -2.018 -3.934 -7.643 1.00 5.12 H new ATOM 0 HG2 ARG A 30 -0.725 -2.419 -8.968 1.00 3.53 H new ATOM 0 HG3 ARG A 30 0.782 -3.207 -8.544 1.00 3.53 H new ATOM 0 HD2 ARG A 30 -0.056 -3.764 -10.854 1.00 10.04 H new ATOM 0 HD3 ARG A 30 0.239 -5.164 -9.842 1.00 10.04 H new ATOM 0 HE ARG A 30 -2.519 -4.273 -9.638 1.00 55.01 H new ATOM 0 HH11 ARG A 30 -0.218 -6.060 -11.633 1.00 52.30 H new ATOM 0 HH12 ARG A 30 -1.467 -7.060 -12.382 1.00 52.30 H new ATOM 0 HH21 ARG A 30 -4.119 -5.565 -10.604 1.00 2.22 H new ATOM 0 HH22 ARG A 30 -3.665 -6.782 -11.802 1.00 2.22 H new ATOM 497 N LEU A 31 -2.156 -1.519 -6.197 1.00 33.14 N ATOM 498 CA LEU A 31 -3.302 -0.761 -5.705 1.00 24.35 C ATOM 499 C LEU A 31 -4.493 -1.680 -5.450 1.00 43.14 C ATOM 500 O LEU A 31 -5.288 -1.446 -4.539 1.00 71.13 O ATOM 501 CB LEU A 31 -3.687 0.327 -6.707 1.00 52.54 C ATOM 502 CG LEU A 31 -3.884 1.730 -6.133 1.00 25.12 C ATOM 503 CD1 LEU A 31 -2.540 2.379 -5.838 1.00 12.21 C ATOM 504 CD2 LEU A 31 -4.695 2.591 -7.091 1.00 64.14 C ATOM 0 H LEU A 31 -1.713 -1.123 -7.026 1.00 33.14 H new ATOM 0 HA LEU A 31 -3.020 -0.293 -4.762 1.00 24.35 H new ATOM 0 HB2 LEU A 31 -2.915 0.376 -7.474 1.00 52.54 H new ATOM 0 HB3 LEU A 31 -4.610 0.026 -7.202 1.00 52.54 H new ATOM 0 HG LEU A 31 -4.437 1.644 -5.198 1.00 25.12 H new ATOM 0 HD11 LEU A 31 -2.700 3.377 -5.430 1.00 12.21 H new ATOM 0 HD12 LEU A 31 -1.995 1.774 -5.114 1.00 12.21 H new ATOM 0 HD13 LEU A 31 -1.961 2.452 -6.759 1.00 12.21 H new ATOM 0 HD21 LEU A 31 -4.825 3.586 -6.665 1.00 64.14 H new ATOM 0 HD22 LEU A 31 -4.170 2.669 -8.043 1.00 64.14 H new ATOM 0 HD23 LEU A 31 -5.672 2.135 -7.252 1.00 64.14 H new ATOM 516 N LYS A 32 -4.610 -2.726 -6.261 1.00 12.32 N ATOM 517 CA LYS A 32 -5.702 -3.682 -6.123 1.00 14.05 C ATOM 518 C LYS A 32 -5.786 -4.209 -4.693 1.00 74.45 C ATOM 519 O LYS A 32 -6.876 -4.352 -4.137 1.00 61.51 O ATOM 520 CB LYS A 32 -5.514 -4.847 -7.097 1.00 30.31 C ATOM 521 CG LYS A 32 -6.422 -4.778 -8.311 1.00 41.14 C ATOM 522 CD LYS A 32 -6.902 -6.158 -8.728 1.00 74.25 C ATOM 523 CE LYS A 32 -8.322 -6.422 -8.252 1.00 13.00 C ATOM 524 NZ LYS A 32 -9.330 -5.727 -9.101 1.00 24.35 N ATOM 0 H LYS A 32 -3.962 -2.933 -7.021 1.00 12.32 H new ATOM 0 HA LYS A 32 -6.634 -3.168 -6.358 1.00 14.05 H new ATOM 0 HB2 LYS A 32 -4.476 -4.867 -7.431 1.00 30.31 H new ATOM 0 HB3 LYS A 32 -5.697 -5.783 -6.570 1.00 30.31 H new ATOM 0 HG2 LYS A 32 -7.281 -4.145 -8.088 1.00 41.14 H new ATOM 0 HG3 LYS A 32 -5.889 -4.312 -9.139 1.00 41.14 H new ATOM 0 HD2 LYS A 32 -6.859 -6.247 -9.814 1.00 74.25 H new ATOM 0 HD3 LYS A 32 -6.233 -6.916 -8.319 1.00 74.25 H new ATOM 0 HE2 LYS A 32 -8.515 -7.495 -8.263 1.00 13.00 H new ATOM 0 HE3 LYS A 32 -8.426 -6.090 -7.219 1.00 13.00 H new ATOM 0 HZ1 LYS A 32 -10.285 -5.932 -8.744 1.00 24.35 H new ATOM 0 HZ2 LYS A 32 -9.162 -4.701 -9.070 1.00 24.35 H new ATOM 0 HZ3 LYS A 32 -9.248 -6.062 -10.082 1.00 24.35 H new ATOM 538 N HIS A 33 -4.631 -4.495 -4.104 1.00 4.23 N ATOM 539 CA HIS A 33 -4.573 -5.003 -2.737 1.00 61.51 C ATOM 540 C HIS A 33 -4.939 -3.911 -1.736 1.00 72.50 C ATOM 541 O HIS A 33 -5.463 -4.266 -0.680 1.00 34.24 O ATOM 542 CB HIS A 33 -3.176 -5.546 -2.430 1.00 52.41 C ATOM 543 CG HIS A 33 -2.727 -6.614 -3.379 1.00 1.20 C ATOM 544 ND1 HIS A 33 -1.708 -6.432 -4.289 1.00 10.02 N ATOM 545 CD2 HIS A 33 -3.164 -7.883 -3.555 1.00 53.33 C ATOM 546 CE1 HIS A 33 -1.538 -7.543 -4.985 1.00 12.34 C ATOM 547 NE2 HIS A 33 -2.409 -8.439 -4.557 1.00 43.05 N ATOM 0 H HIS A 33 -3.721 -4.384 -4.551 1.00 4.23 H new ATOM 0 HA HIS A 33 -5.297 -5.813 -2.646 1.00 61.51 H new ATOM 0 HB2 HIS A 33 -2.461 -4.723 -2.457 1.00 52.41 H new ATOM 0 HB3 HIS A 33 -3.165 -5.945 -1.416 1.00 52.41 H new ATOM 0 HD2 HIS A 33 -3.959 -8.368 -3.008 1.00 53.33 H new ATOM 0 HE1 HIS A 33 -0.811 -7.692 -5.770 1.00 12.34 H new ATOM 0 HE2 HIS A 33 -2.505 -9.390 -4.913 1.00 43.05 H new ATOM 555 N ILE A 34 -4.686 -2.640 -2.028 1.00 33.11 N ATOM 556 CA ILE A 34 -5.019 -1.564 -1.103 1.00 64.41 C ATOM 557 C ILE A 34 -6.525 -1.330 -1.051 1.00 75.00 C ATOM 558 O ILE A 34 -7.086 -1.061 0.011 1.00 72.24 O ATOM 559 CB ILE A 34 -4.320 -0.249 -1.494 1.00 65.22 C ATOM 560 CG1 ILE A 34 -2.844 -0.505 -1.809 1.00 12.10 C ATOM 561 CG2 ILE A 34 -4.459 0.777 -0.380 1.00 63.12 C ATOM 562 CD1 ILE A 34 -2.088 0.740 -2.216 1.00 4.23 C ATOM 0 H ILE A 34 -4.252 -2.330 -2.897 1.00 33.11 H new ATOM 0 HA ILE A 34 -4.668 -1.874 -0.119 1.00 64.41 H new ATOM 0 HB ILE A 34 -4.800 0.148 -2.388 1.00 65.22 H new ATOM 0 HG12 ILE A 34 -2.364 -0.941 -0.933 1.00 12.10 H new ATOM 0 HG13 ILE A 34 -2.774 -1.241 -2.610 1.00 12.10 H new ATOM 0 HG21 ILE A 34 -3.960 1.701 -0.672 1.00 63.12 H new ATOM 0 HG22 ILE A 34 -5.515 0.977 -0.199 1.00 63.12 H new ATOM 0 HG23 ILE A 34 -4.002 0.390 0.531 1.00 63.12 H new ATOM 0 HD11 ILE A 34 -1.049 0.483 -2.424 1.00 4.23 H new ATOM 0 HD12 ILE A 34 -2.543 1.166 -3.111 1.00 4.23 H new ATOM 0 HD13 ILE A 34 -2.126 1.470 -1.407 1.00 4.23 H new ATOM 574 N VAL A 35 -7.174 -1.434 -2.207 1.00 35.13 N ATOM 575 CA VAL A 35 -8.616 -1.236 -2.293 1.00 73.41 C ATOM 576 C VAL A 35 -9.363 -2.253 -1.436 1.00 12.33 C ATOM 577 O VAL A 35 -10.123 -1.885 -0.540 1.00 72.02 O ATOM 578 CB VAL A 35 -9.112 -1.346 -3.748 1.00 11.23 C ATOM 579 CG1 VAL A 35 -10.623 -1.179 -3.811 1.00 64.22 C ATOM 580 CG2 VAL A 35 -8.415 -0.317 -4.626 1.00 15.12 C ATOM 0 H VAL A 35 -6.724 -1.654 -3.096 1.00 35.13 H new ATOM 0 HA VAL A 35 -8.820 -0.232 -1.921 1.00 73.41 H new ATOM 0 HB VAL A 35 -8.865 -2.338 -4.125 1.00 11.23 H new ATOM 0 HG11 VAL A 35 -10.955 -1.260 -4.846 1.00 64.22 H new ATOM 0 HG12 VAL A 35 -11.100 -1.957 -3.215 1.00 64.22 H new ATOM 0 HG13 VAL A 35 -10.898 -0.201 -3.417 1.00 64.22 H new ATOM 0 HG21 VAL A 35 -8.777 -0.408 -5.650 1.00 15.12 H new ATOM 0 HG22 VAL A 35 -8.630 0.685 -4.253 1.00 15.12 H new ATOM 0 HG23 VAL A 35 -7.339 -0.489 -4.604 1.00 15.12 H new ATOM 590 N TRP A 36 -9.141 -3.531 -1.717 1.00 23.12 N ATOM 591 CA TRP A 36 -9.792 -4.602 -0.970 1.00 43.22 C ATOM 592 C TRP A 36 -9.580 -4.427 0.530 1.00 64.32 C ATOM 593 O TRP A 36 -10.410 -4.847 1.335 1.00 4.34 O ATOM 594 CB TRP A 36 -9.257 -5.962 -1.419 1.00 75.41 C ATOM 595 CG TRP A 36 -9.744 -7.101 -0.573 1.00 4.30 C ATOM 596 CD1 TRP A 36 -10.890 -7.821 -0.749 1.00 34.12 C ATOM 597 CD2 TRP A 36 -9.098 -7.646 0.583 1.00 42.11 C ATOM 598 NE1 TRP A 36 -10.996 -8.782 0.228 1.00 0.11 N ATOM 599 CE2 TRP A 36 -9.909 -8.696 1.057 1.00 41.53 C ATOM 600 CE3 TRP A 36 -7.913 -7.350 1.262 1.00 30.12 C ATOM 601 CZ2 TRP A 36 -9.571 -9.448 2.179 1.00 73.14 C ATOM 602 CZ3 TRP A 36 -7.580 -8.098 2.376 1.00 61.35 C ATOM 603 CH2 TRP A 36 -8.406 -9.137 2.824 1.00 41.00 C ATOM 0 H TRP A 36 -8.516 -3.852 -2.456 1.00 23.12 H new ATOM 0 HA TRP A 36 -10.862 -4.555 -1.174 1.00 43.22 H new ATOM 0 HB2 TRP A 36 -9.551 -6.136 -2.454 1.00 75.41 H new ATOM 0 HB3 TRP A 36 -8.167 -5.941 -1.396 1.00 75.41 H new ATOM 0 HD1 TRP A 36 -11.608 -7.659 -1.540 1.00 34.12 H new ATOM 0 HE1 TRP A 36 -11.760 -9.451 0.321 1.00 0.11 H new ATOM 0 HE3 TRP A 36 -7.269 -6.552 0.923 1.00 30.12 H new ATOM 0 HZ2 TRP A 36 -10.206 -10.249 2.528 1.00 73.14 H new ATOM 0 HZ3 TRP A 36 -6.667 -7.878 2.910 1.00 61.35 H new ATOM 0 HH2 TRP A 36 -8.117 -9.704 3.697 1.00 41.00 H new ATOM 614 N ALA A 37 -8.463 -3.807 0.896 1.00 64.31 N ATOM 615 CA ALA A 37 -8.143 -3.576 2.300 1.00 55.14 C ATOM 616 C ALA A 37 -8.959 -2.418 2.864 1.00 12.25 C ATOM 617 O ALA A 37 -9.547 -2.528 3.940 1.00 0.43 O ATOM 618 CB ALA A 37 -6.655 -3.305 2.464 1.00 35.04 C ATOM 0 H ALA A 37 -7.765 -3.456 0.241 1.00 64.31 H new ATOM 0 HA ALA A 37 -8.401 -4.475 2.860 1.00 55.14 H new ATOM 0 HB1 ALA A 37 -6.430 -3.134 3.517 1.00 35.04 H new ATOM 0 HB2 ALA A 37 -6.087 -4.164 2.106 1.00 35.04 H new ATOM 0 HB3 ALA A 37 -6.380 -2.422 1.887 1.00 35.04 H new ATOM 624 N ALA A 38 -8.989 -1.309 2.133 1.00 0.33 N ATOM 625 CA ALA A 38 -9.734 -0.131 2.562 1.00 74.35 C ATOM 626 C ALA A 38 -11.200 -0.470 2.812 1.00 23.32 C ATOM 627 O ALA A 38 -11.819 0.057 3.736 1.00 53.24 O ATOM 628 CB ALA A 38 -9.615 0.974 1.524 1.00 54.32 C ATOM 0 H ALA A 38 -8.506 -1.201 1.241 1.00 0.33 H new ATOM 0 HA ALA A 38 -9.304 0.219 3.501 1.00 74.35 H new ATOM 0 HB1 ALA A 38 -10.176 1.848 1.857 1.00 54.32 H new ATOM 0 HB2 ALA A 38 -8.566 1.243 1.397 1.00 54.32 H new ATOM 0 HB3 ALA A 38 -10.018 0.625 0.573 1.00 54.32 H new ATOM 634 N ASN A 39 -11.748 -1.352 1.984 1.00 53.20 N ATOM 635 CA ASN A 39 -13.142 -1.760 2.116 1.00 71.44 C ATOM 636 C ASN A 39 -13.412 -2.336 3.502 1.00 72.21 C ATOM 637 O ASN A 39 -14.498 -2.167 4.057 1.00 63.02 O ATOM 638 CB ASN A 39 -13.497 -2.793 1.043 1.00 22.25 C ATOM 639 CG ASN A 39 -14.792 -2.463 0.328 1.00 12.23 C ATOM 640 OD1 ASN A 39 -15.852 -2.989 0.665 1.00 35.50 O ATOM 641 ND2 ASN A 39 -14.712 -1.586 -0.666 1.00 52.12 N ATOM 0 H ASN A 39 -11.249 -1.798 1.215 1.00 53.20 H new ATOM 0 HA ASN A 39 -13.767 -0.877 1.982 1.00 71.44 H new ATOM 0 HB2 ASN A 39 -12.688 -2.849 0.315 1.00 22.25 H new ATOM 0 HB3 ASN A 39 -13.580 -3.777 1.504 1.00 22.25 H new ATOM 0 HD21 ASN A 39 -15.551 -1.324 -1.184 1.00 52.12 H new ATOM 0 HD22 ASN A 39 -13.812 -1.174 -0.912 1.00 52.12 H new ATOM 648 N LYS A 40 -12.415 -3.018 4.057 1.00 75.51 N ATOM 649 CA LYS A 40 -12.543 -3.619 5.379 1.00 23.22 C ATOM 650 C LYS A 40 -12.515 -2.550 6.467 1.00 13.45 C ATOM 651 O LYS A 40 -13.330 -2.570 7.391 1.00 11.53 O ATOM 652 CB LYS A 40 -11.417 -4.629 5.614 1.00 53.43 C ATOM 653 CG LYS A 40 -11.647 -5.965 4.931 1.00 21.20 C ATOM 654 CD LYS A 40 -12.788 -6.734 5.578 1.00 41.43 C ATOM 655 CE LYS A 40 -12.271 -7.818 6.510 1.00 61.43 C ATOM 656 NZ LYS A 40 -11.969 -9.080 5.779 1.00 63.15 N ATOM 0 H LYS A 40 -11.510 -3.168 3.611 1.00 75.51 H new ATOM 0 HA LYS A 40 -13.502 -4.135 5.425 1.00 23.22 H new ATOM 0 HB2 LYS A 40 -10.479 -4.204 5.257 1.00 53.43 H new ATOM 0 HB3 LYS A 40 -11.305 -4.793 6.686 1.00 53.43 H new ATOM 0 HG2 LYS A 40 -11.869 -5.802 3.876 1.00 21.20 H new ATOM 0 HG3 LYS A 40 -10.735 -6.560 4.976 1.00 21.20 H new ATOM 0 HD2 LYS A 40 -13.422 -6.045 6.136 1.00 41.43 H new ATOM 0 HD3 LYS A 40 -13.410 -7.184 4.804 1.00 41.43 H new ATOM 0 HE2 LYS A 40 -11.371 -7.465 7.013 1.00 61.43 H new ATOM 0 HE3 LYS A 40 -13.012 -8.015 7.284 1.00 61.43 H new ATOM 0 HZ1 LYS A 40 -12.244 -9.895 6.364 1.00 63.15 H new ATOM 0 HZ2 LYS A 40 -12.502 -9.100 4.886 1.00 63.15 H new ATOM 0 HZ3 LYS A 40 -10.950 -9.128 5.576 1.00 63.15 H new ATOM 670 N LEU A 41 -11.576 -1.618 6.351 1.00 23.45 N ATOM 671 CA LEU A 41 -11.443 -0.540 7.325 1.00 13.23 C ATOM 672 C LEU A 41 -12.776 0.174 7.531 1.00 53.13 C ATOM 673 O LEU A 41 -13.029 0.743 8.593 1.00 1.01 O ATOM 674 CB LEU A 41 -10.382 0.461 6.866 1.00 44.20 C ATOM 675 CG LEU A 41 -8.974 -0.101 6.662 1.00 3.15 C ATOM 676 CD1 LEU A 41 -8.098 0.907 5.936 1.00 64.35 C ATOM 677 CD2 LEU A 41 -8.355 -0.484 7.998 1.00 3.51 C ATOM 0 H LEU A 41 -10.895 -1.587 5.592 1.00 23.45 H new ATOM 0 HA LEU A 41 -11.134 -0.977 8.275 1.00 13.23 H new ATOM 0 HB2 LEU A 41 -10.713 0.907 5.928 1.00 44.20 H new ATOM 0 HB3 LEU A 41 -10.328 1.265 7.600 1.00 44.20 H new ATOM 0 HG LEU A 41 -9.046 -0.998 6.047 1.00 3.15 H new ATOM 0 HD11 LEU A 41 -7.100 0.490 5.800 1.00 64.35 H new ATOM 0 HD12 LEU A 41 -8.533 1.133 4.962 1.00 64.35 H new ATOM 0 HD13 LEU A 41 -8.032 1.822 6.525 1.00 64.35 H new ATOM 0 HD21 LEU A 41 -7.354 -0.882 7.834 1.00 3.51 H new ATOM 0 HD22 LEU A 41 -8.295 0.397 8.637 1.00 3.51 H new ATOM 0 HD23 LEU A 41 -8.972 -1.242 8.481 1.00 3.51 H new ATOM 689 N ASP A 42 -13.625 0.139 6.509 1.00 25.50 N ATOM 690 CA ASP A 42 -14.933 0.780 6.578 1.00 25.32 C ATOM 691 C ASP A 42 -15.890 -0.033 7.445 1.00 12.11 C ATOM 692 O ASP A 42 -16.485 0.489 8.388 1.00 3.30 O ATOM 693 CB ASP A 42 -15.515 0.950 5.175 1.00 53.14 C ATOM 694 CG ASP A 42 -15.706 2.408 4.801 1.00 62.42 C ATOM 695 OD1 ASP A 42 -16.208 3.176 5.646 1.00 34.43 O ATOM 696 OD2 ASP A 42 -15.353 2.778 3.661 1.00 2.32 O ATOM 0 H ASP A 42 -13.430 -0.327 5.623 1.00 25.50 H new ATOM 0 HA ASP A 42 -14.806 1.763 7.031 1.00 25.32 H new ATOM 0 HB2 ASP A 42 -14.854 0.475 4.450 1.00 53.14 H new ATOM 0 HB3 ASP A 42 -16.474 0.434 5.117 1.00 53.14 H new ATOM 701 N ARG A 43 -16.035 -1.313 7.117 1.00 31.25 N ATOM 702 CA ARG A 43 -16.922 -2.197 7.865 1.00 53.10 C ATOM 703 C ARG A 43 -16.655 -2.095 9.363 1.00 4.15 C ATOM 704 O ARG A 43 -17.537 -2.360 10.181 1.00 3.14 O ATOM 705 CB ARG A 43 -16.744 -3.643 7.401 1.00 63.11 C ATOM 706 CG ARG A 43 -18.055 -4.380 7.185 1.00 15.24 C ATOM 707 CD ARG A 43 -17.965 -5.348 6.017 1.00 71.34 C ATOM 708 NE ARG A 43 -18.881 -6.476 6.168 1.00 54.24 N ATOM 709 CZ ARG A 43 -18.902 -7.521 5.348 1.00 52.54 C ATOM 710 NH1 ARG A 43 -18.061 -7.582 4.324 1.00 14.44 N ATOM 711 NH2 ARG A 43 -19.766 -8.507 5.551 1.00 20.40 N ATOM 0 H ARG A 43 -15.550 -1.761 6.339 1.00 31.25 H new ATOM 0 HA ARG A 43 -17.949 -1.886 7.675 1.00 53.10 H new ATOM 0 HB2 ARG A 43 -16.176 -3.650 6.471 1.00 63.11 H new ATOM 0 HB3 ARG A 43 -16.152 -4.182 8.140 1.00 63.11 H new ATOM 0 HG2 ARG A 43 -18.320 -4.925 8.091 1.00 15.24 H new ATOM 0 HG3 ARG A 43 -18.852 -3.660 7.001 1.00 15.24 H new ATOM 0 HD2 ARG A 43 -18.190 -4.820 5.090 1.00 71.34 H new ATOM 0 HD3 ARG A 43 -16.944 -5.719 5.932 1.00 71.34 H new ATOM 0 HE ARG A 43 -19.541 -6.460 6.946 1.00 54.24 H new ATOM 0 HH11 ARG A 43 -17.396 -6.825 4.165 1.00 14.44 H new ATOM 0 HH12 ARG A 43 -18.079 -8.386 3.696 1.00 14.44 H new ATOM 0 HH21 ARG A 43 -20.415 -8.463 6.337 1.00 20.40 H new ATOM 0 HH22 ARG A 43 -19.782 -9.309 4.921 1.00 20.40 H new ATOM 725 N PHE A 44 -15.433 -1.709 9.717 1.00 71.33 N ATOM 726 CA PHE A 44 -15.049 -1.573 11.118 1.00 74.33 C ATOM 727 C PHE A 44 -15.184 -0.126 11.580 1.00 73.31 C ATOM 728 O PHE A 44 -15.741 0.148 12.643 1.00 63.00 O ATOM 729 CB PHE A 44 -13.612 -2.055 11.323 1.00 24.51 C ATOM 730 CG PHE A 44 -13.427 -3.521 11.054 1.00 43.14 C ATOM 731 CD1 PHE A 44 -14.250 -4.459 11.654 1.00 13.04 C ATOM 732 CD2 PHE A 44 -12.428 -3.962 10.199 1.00 0.55 C ATOM 733 CE1 PHE A 44 -14.081 -5.809 11.409 1.00 71.01 C ATOM 734 CE2 PHE A 44 -12.254 -5.309 9.950 1.00 74.43 C ATOM 735 CZ PHE A 44 -13.083 -6.234 10.554 1.00 21.31 C ATOM 0 H PHE A 44 -14.692 -1.485 9.053 1.00 71.33 H new ATOM 0 HA PHE A 44 -15.720 -2.190 11.715 1.00 74.33 H new ATOM 0 HB2 PHE A 44 -12.950 -1.487 10.669 1.00 24.51 H new ATOM 0 HB3 PHE A 44 -13.308 -1.841 12.348 1.00 24.51 H new ATOM 0 HD1 PHE A 44 -15.034 -4.132 12.322 1.00 13.04 H new ATOM 0 HD2 PHE A 44 -11.778 -3.243 9.722 1.00 0.55 H new ATOM 0 HE1 PHE A 44 -14.728 -6.530 11.885 1.00 71.01 H new ATOM 0 HE2 PHE A 44 -11.471 -5.639 9.284 1.00 74.43 H new ATOM 0 HZ PHE A 44 -12.951 -7.288 10.358 1.00 21.31 H new ATOM 745 N GLY A 45 -14.669 0.798 10.775 1.00 60.53 N ATOM 746 CA GLY A 45 -14.741 2.206 11.118 1.00 24.04 C ATOM 747 C GLY A 45 -13.494 2.965 10.711 1.00 11.54 C ATOM 748 O GLY A 45 -13.579 4.053 10.141 1.00 53.34 O ATOM 0 H GLY A 45 -14.203 0.596 9.891 1.00 60.53 H new ATOM 0 HA2 GLY A 45 -15.609 2.652 10.632 1.00 24.04 H new ATOM 0 HA3 GLY A 45 -14.890 2.308 12.193 1.00 24.04 H new ATOM 752 N LEU A 46 -12.332 2.394 11.008 1.00 52.22 N ATOM 753 CA LEU A 46 -11.060 3.027 10.671 1.00 35.33 C ATOM 754 C LEU A 46 -11.106 3.628 9.270 1.00 72.31 C ATOM 755 O LEU A 46 -11.591 3.000 8.330 1.00 51.34 O ATOM 756 CB LEU A 46 -9.923 2.008 10.765 1.00 43.52 C ATOM 757 CG LEU A 46 -9.055 2.086 12.023 1.00 74.10 C ATOM 758 CD1 LEU A 46 -8.997 0.732 12.714 1.00 13.04 C ATOM 759 CD2 LEU A 46 -7.655 2.570 11.677 1.00 55.33 C ATOM 0 H LEU A 46 -12.243 1.495 11.481 1.00 52.22 H new ATOM 0 HA LEU A 46 -10.880 3.831 11.385 1.00 35.33 H new ATOM 0 HB2 LEU A 46 -10.352 1.008 10.705 1.00 43.52 H new ATOM 0 HB3 LEU A 46 -9.278 2.131 9.895 1.00 43.52 H new ATOM 0 HG LEU A 46 -9.506 2.803 12.709 1.00 74.10 H new ATOM 0 HD11 LEU A 46 -8.376 0.805 13.607 1.00 13.04 H new ATOM 0 HD12 LEU A 46 -10.004 0.424 12.997 1.00 13.04 H new ATOM 0 HD13 LEU A 46 -8.570 -0.005 12.034 1.00 13.04 H new ATOM 0 HD21 LEU A 46 -7.052 2.619 12.584 1.00 55.33 H new ATOM 0 HD22 LEU A 46 -7.194 1.878 10.972 1.00 55.33 H new ATOM 0 HD23 LEU A 46 -7.714 3.561 11.226 1.00 55.33 H new ATOM 771 N ALA A 47 -10.595 4.848 9.139 1.00 22.11 N ATOM 772 CA ALA A 47 -10.573 5.532 7.853 1.00 73.05 C ATOM 773 C ALA A 47 -9.514 4.935 6.931 1.00 55.41 C ATOM 774 O ALA A 47 -8.405 4.627 7.364 1.00 54.11 O ATOM 775 CB ALA A 47 -10.325 7.020 8.050 1.00 13.41 C ATOM 0 H ALA A 47 -10.191 5.382 9.908 1.00 22.11 H new ATOM 0 HA ALA A 47 -11.546 5.396 7.381 1.00 73.05 H new ATOM 0 HB1 ALA A 47 -10.311 7.518 7.081 1.00 13.41 H new ATOM 0 HB2 ALA A 47 -11.120 7.443 8.664 1.00 13.41 H new ATOM 0 HB3 ALA A 47 -9.366 7.166 8.547 1.00 13.41 H new ATOM 781 N GLU A 48 -9.866 4.777 5.658 1.00 21.14 N ATOM 782 CA GLU A 48 -8.945 4.215 4.677 1.00 0.13 C ATOM 783 C GLU A 48 -7.768 5.157 4.435 1.00 24.44 C ATOM 784 O GLU A 48 -6.720 4.742 3.938 1.00 71.11 O ATOM 785 CB GLU A 48 -9.673 3.941 3.359 1.00 11.35 C ATOM 786 CG GLU A 48 -10.350 5.169 2.772 1.00 64.24 C ATOM 787 CD GLU A 48 -11.626 4.831 2.028 1.00 35.34 C ATOM 788 OE1 GLU A 48 -11.729 3.699 1.509 1.00 1.34 O ATOM 789 OE2 GLU A 48 -12.524 5.697 1.965 1.00 63.24 O ATOM 0 H GLU A 48 -10.780 5.030 5.283 1.00 21.14 H new ATOM 0 HA GLU A 48 -8.561 3.275 5.073 1.00 0.13 H new ATOM 0 HB2 GLU A 48 -8.960 3.548 2.634 1.00 11.35 H new ATOM 0 HB3 GLU A 48 -10.422 3.166 3.521 1.00 11.35 H new ATOM 0 HG2 GLU A 48 -10.576 5.872 3.573 1.00 64.24 H new ATOM 0 HG3 GLU A 48 -9.660 5.670 2.093 1.00 64.24 H new ATOM 796 N SER A 49 -7.949 6.425 4.789 1.00 35.53 N ATOM 797 CA SER A 49 -6.905 7.426 4.607 1.00 22.54 C ATOM 798 C SER A 49 -5.735 7.170 5.553 1.00 52.20 C ATOM 799 O SER A 49 -4.674 7.781 5.425 1.00 21.24 O ATOM 800 CB SER A 49 -7.468 8.829 4.842 1.00 21.54 C ATOM 801 OG SER A 49 -8.554 9.095 3.971 1.00 4.23 O ATOM 0 H SER A 49 -8.809 6.784 5.204 1.00 35.53 H new ATOM 0 HA SER A 49 -6.542 7.354 3.582 1.00 22.54 H new ATOM 0 HB2 SER A 49 -7.796 8.924 5.877 1.00 21.54 H new ATOM 0 HB3 SER A 49 -6.684 9.570 4.687 1.00 21.54 H new ATOM 0 HG SER A 49 -8.897 9.997 4.142 1.00 4.23 H new ATOM 807 N LEU A 50 -5.938 6.263 6.501 1.00 32.21 N ATOM 808 CA LEU A 50 -4.901 5.924 7.470 1.00 21.21 C ATOM 809 C LEU A 50 -3.890 4.953 6.869 1.00 63.24 C ATOM 810 O LEU A 50 -2.938 4.541 7.533 1.00 50.15 O ATOM 811 CB LEU A 50 -5.527 5.313 8.725 1.00 13.11 C ATOM 812 CG LEU A 50 -6.396 6.250 9.565 1.00 33.15 C ATOM 813 CD1 LEU A 50 -6.869 5.549 10.830 1.00 50.12 C ATOM 814 CD2 LEU A 50 -5.632 7.520 9.910 1.00 32.24 C ATOM 0 H LEU A 50 -6.811 5.749 6.620 1.00 32.21 H new ATOM 0 HA LEU A 50 -4.379 6.842 7.741 1.00 21.21 H new ATOM 0 HB2 LEU A 50 -6.134 4.459 8.425 1.00 13.11 H new ATOM 0 HB3 LEU A 50 -4.726 4.929 9.357 1.00 13.11 H new ATOM 0 HG LEU A 50 -7.272 6.526 8.978 1.00 33.15 H new ATOM 0 HD11 LEU A 50 -7.486 6.231 11.415 1.00 50.12 H new ATOM 0 HD12 LEU A 50 -7.455 4.670 10.561 1.00 50.12 H new ATOM 0 HD13 LEU A 50 -6.006 5.243 11.421 1.00 50.12 H new ATOM 0 HD21 LEU A 50 -6.266 8.175 10.508 1.00 32.24 H new ATOM 0 HD22 LEU A 50 -4.737 7.264 10.478 1.00 32.24 H new ATOM 0 HD23 LEU A 50 -5.345 8.032 8.992 1.00 32.24 H new ATOM 826 N LEU A 51 -4.102 4.593 5.608 1.00 21.10 N ATOM 827 CA LEU A 51 -3.208 3.671 4.915 1.00 42.23 C ATOM 828 C LEU A 51 -1.958 4.394 4.420 1.00 11.03 C ATOM 829 O LEU A 51 -1.107 3.800 3.759 1.00 73.21 O ATOM 830 CB LEU A 51 -3.931 3.017 3.737 1.00 70.51 C ATOM 831 CG LEU A 51 -4.580 1.661 4.019 1.00 30.44 C ATOM 832 CD1 LEU A 51 -5.772 1.439 3.101 1.00 52.11 C ATOM 833 CD2 LEU A 51 -3.565 0.539 3.858 1.00 4.53 C ATOM 0 H LEU A 51 -4.885 4.925 5.045 1.00 21.10 H new ATOM 0 HA LEU A 51 -2.904 2.899 5.621 1.00 42.23 H new ATOM 0 HB2 LEU A 51 -4.703 3.701 3.385 1.00 70.51 H new ATOM 0 HB3 LEU A 51 -3.218 2.894 2.922 1.00 70.51 H new ATOM 0 HG LEU A 51 -4.935 1.657 5.050 1.00 30.44 H new ATOM 0 HD11 LEU A 51 -6.221 0.469 3.316 1.00 52.11 H new ATOM 0 HD12 LEU A 51 -6.509 2.225 3.265 1.00 52.11 H new ATOM 0 HD13 LEU A 51 -5.441 1.463 2.063 1.00 52.11 H new ATOM 0 HD21 LEU A 51 -4.045 -0.418 4.063 1.00 4.53 H new ATOM 0 HD22 LEU A 51 -3.179 0.541 2.839 1.00 4.53 H new ATOM 0 HD23 LEU A 51 -2.743 0.689 4.557 1.00 4.53 H new ATOM 845 N GLU A 52 -1.854 5.678 4.748 1.00 34.41 N ATOM 846 CA GLU A 52 -0.708 6.480 4.338 1.00 72.21 C ATOM 847 C GLU A 52 -0.034 7.124 5.547 1.00 61.13 C ATOM 848 O GLU A 52 0.381 8.282 5.496 1.00 5.00 O ATOM 849 CB GLU A 52 -1.142 7.561 3.346 1.00 12.12 C ATOM 850 CG GLU A 52 -2.355 8.354 3.803 1.00 14.21 C ATOM 851 CD GLU A 52 -2.316 9.798 3.342 1.00 42.32 C ATOM 852 OE1 GLU A 52 -1.658 10.619 4.014 1.00 22.24 O ATOM 853 OE2 GLU A 52 -2.944 10.107 2.308 1.00 44.03 O ATOM 0 H GLU A 52 -2.549 6.185 5.296 1.00 34.41 H new ATOM 0 HA GLU A 52 0.010 5.819 3.852 1.00 72.21 H new ATOM 0 HB2 GLU A 52 -0.311 8.247 3.182 1.00 12.12 H new ATOM 0 HB3 GLU A 52 -1.364 7.094 2.387 1.00 12.12 H new ATOM 0 HG2 GLU A 52 -3.259 7.879 3.422 1.00 14.21 H new ATOM 0 HG3 GLU A 52 -2.414 8.325 4.891 1.00 14.21 H new ATOM 860 N SER A 53 0.070 6.365 6.633 1.00 54.24 N ATOM 861 CA SER A 53 0.688 6.863 7.856 1.00 24.42 C ATOM 862 C SER A 53 0.881 5.734 8.865 1.00 14.44 C ATOM 863 O SER A 53 -0.048 4.979 9.154 1.00 34.03 O ATOM 864 CB SER A 53 -0.167 7.972 8.471 1.00 22.01 C ATOM 865 OG SER A 53 -0.869 7.503 9.609 1.00 72.33 O ATOM 0 H SER A 53 -0.265 5.403 6.691 1.00 54.24 H new ATOM 0 HA SER A 53 1.666 7.270 7.600 1.00 24.42 H new ATOM 0 HB2 SER A 53 0.468 8.812 8.752 1.00 22.01 H new ATOM 0 HB3 SER A 53 -0.875 8.343 7.730 1.00 22.01 H new ATOM 0 HG SER A 53 -1.407 8.231 9.984 1.00 72.33 H new ATOM 871 N LYS A 54 2.092 5.626 9.399 1.00 64.12 N ATOM 872 CA LYS A 54 2.409 4.592 10.377 1.00 1.34 C ATOM 873 C LYS A 54 1.429 4.630 11.545 1.00 1.33 C ATOM 874 O LYS A 54 0.867 3.605 11.929 1.00 21.54 O ATOM 875 CB LYS A 54 3.839 4.768 10.891 1.00 2.13 C ATOM 876 CG LYS A 54 4.147 6.179 11.363 1.00 0.00 C ATOM 877 CD LYS A 54 5.633 6.370 11.614 1.00 12.31 C ATOM 878 CE LYS A 54 6.234 7.388 10.656 1.00 41.05 C ATOM 879 NZ LYS A 54 6.271 8.753 11.248 1.00 40.21 N ATOM 0 H LYS A 54 2.872 6.243 9.171 1.00 64.12 H new ATOM 0 HA LYS A 54 2.324 3.623 9.885 1.00 1.34 H new ATOM 0 HB2 LYS A 54 4.008 4.074 11.714 1.00 2.13 H new ATOM 0 HB3 LYS A 54 4.537 4.499 10.098 1.00 2.13 H new ATOM 0 HG2 LYS A 54 3.808 6.896 10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.593 6.387 12.278 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.790 6.699 12.641 1.00 12.31 H new ATOM 0 HD3 LYS A 54 6.148 5.416 11.502 1.00 12.31 H new ATOM 0 HE2 LYS A 54 7.245 7.081 10.388 1.00 41.05 H new ATOM 0 HE3 LYS A 54 5.652 7.407 9.735 1.00 41.05 H new ATOM 0 HZ1 LYS A 54 6.687 9.417 10.564 1.00 40.21 H new ATOM 0 HZ2 LYS A 54 5.304 9.057 11.481 1.00 40.21 H new ATOM 0 HZ3 LYS A 54 6.848 8.741 12.113 1.00 40.21 H new ATOM 893 N GLU A 55 1.229 5.819 12.105 1.00 14.13 N ATOM 894 CA GLU A 55 0.315 5.989 13.230 1.00 45.04 C ATOM 895 C GLU A 55 -1.044 5.368 12.925 1.00 21.10 C ATOM 896 O GLU A 55 -1.631 4.688 13.766 1.00 14.55 O ATOM 897 CB GLU A 55 0.148 7.474 13.559 1.00 61.31 C ATOM 898 CG GLU A 55 -0.434 7.730 14.939 1.00 74.35 C ATOM 899 CD GLU A 55 -0.266 9.168 15.386 1.00 3.04 C ATOM 900 OE1 GLU A 55 -0.678 10.075 14.633 1.00 24.03 O ATOM 901 OE2 GLU A 55 0.279 9.387 16.489 1.00 42.44 O ATOM 0 H GLU A 55 1.686 6.678 11.799 1.00 14.13 H new ATOM 0 HA GLU A 55 0.742 5.479 14.093 1.00 45.04 H new ATOM 0 HB2 GLU A 55 1.118 7.965 13.486 1.00 61.31 H new ATOM 0 HB3 GLU A 55 -0.498 7.933 12.811 1.00 61.31 H new ATOM 0 HG2 GLU A 55 -1.494 7.477 14.935 1.00 74.35 H new ATOM 0 HG3 GLU A 55 0.048 7.071 15.661 1.00 74.35 H new ATOM 908 N GLY A 56 -1.539 5.606 11.714 1.00 32.31 N ATOM 909 CA GLY A 56 -2.827 5.063 11.320 1.00 5.50 C ATOM 910 C GLY A 56 -2.788 3.560 11.127 1.00 42.24 C ATOM 911 O GLY A 56 -3.669 2.844 11.605 1.00 43.10 O ATOM 0 H GLY A 56 -1.072 6.164 10.999 1.00 32.31 H new ATOM 0 HA2 GLY A 56 -3.569 5.310 12.079 1.00 5.50 H new ATOM 0 HA3 GLY A 56 -3.149 5.537 10.393 1.00 5.50 H new ATOM 915 N CYS A 57 -1.767 3.082 10.425 1.00 61.25 N ATOM 916 CA CYS A 57 -1.619 1.654 10.168 1.00 21.21 C ATOM 917 C CYS A 57 -1.494 0.876 11.474 1.00 22.12 C ATOM 918 O CYS A 57 -2.038 -0.219 11.608 1.00 11.04 O ATOM 919 CB CYS A 57 -0.394 1.397 9.288 1.00 1.34 C ATOM 920 SG CYS A 57 -0.787 1.032 7.562 1.00 22.12 S ATOM 0 H CYS A 57 -1.030 3.662 10.024 1.00 61.25 H new ATOM 0 HA CYS A 57 -2.512 1.310 9.645 1.00 21.21 H new ATOM 0 HB2 CYS A 57 0.256 2.272 9.324 1.00 1.34 H new ATOM 0 HB3 CYS A 57 0.171 0.563 9.705 1.00 1.34 H new ATOM 0 HG CYS A 57 -0.730 -0.252 7.366 1.00 22.12 H new ATOM 926 N GLN A 58 -0.774 1.451 12.432 1.00 33.43 N ATOM 927 CA GLN A 58 -0.577 0.809 13.726 1.00 20.11 C ATOM 928 C GLN A 58 -1.913 0.554 14.416 1.00 23.25 C ATOM 929 O GLN A 58 -2.107 -0.484 15.051 1.00 12.13 O ATOM 930 CB GLN A 58 0.314 1.677 14.618 1.00 22.52 C ATOM 931 CG GLN A 58 1.388 0.890 15.352 1.00 5.31 C ATOM 932 CD GLN A 58 2.497 1.777 15.887 1.00 52.04 C ATOM 933 OE1 GLN A 58 2.358 2.999 15.941 1.00 2.41 O ATOM 934 NE2 GLN A 58 3.605 1.164 16.286 1.00 63.03 N ATOM 0 H GLN A 58 -0.318 2.359 12.337 1.00 33.43 H new ATOM 0 HA GLN A 58 -0.087 -0.150 13.558 1.00 20.11 H new ATOM 0 HB2 GLN A 58 0.790 2.443 14.006 1.00 22.52 H new ATOM 0 HB3 GLN A 58 -0.309 2.194 15.348 1.00 22.52 H new ATOM 0 HG2 GLN A 58 0.933 0.345 16.179 1.00 5.31 H new ATOM 0 HG3 GLN A 58 1.815 0.148 14.677 1.00 5.31 H new ATOM 0 HE21 GLN A 58 3.677 0.148 16.223 1.00 63.03 H new ATOM 0 HE22 GLN A 58 4.384 1.709 16.655 1.00 63.03 H new ATOM 943 N LYS A 59 -2.831 1.505 14.289 1.00 63.34 N ATOM 944 CA LYS A 59 -4.149 1.384 14.898 1.00 1.11 C ATOM 945 C LYS A 59 -4.955 0.272 14.235 1.00 14.03 C ATOM 946 O LYS A 59 -5.891 -0.268 14.828 1.00 62.32 O ATOM 947 CB LYS A 59 -4.906 2.710 14.793 1.00 10.04 C ATOM 948 CG LYS A 59 -5.599 3.118 16.082 1.00 70.43 C ATOM 949 CD LYS A 59 -6.939 3.781 15.809 1.00 65.30 C ATOM 950 CE LYS A 59 -6.771 5.250 15.449 1.00 22.50 C ATOM 951 NZ LYS A 59 -7.746 6.113 16.172 1.00 24.05 N ATOM 0 H LYS A 59 -2.686 2.370 13.768 1.00 63.34 H new ATOM 0 HA LYS A 59 -4.014 1.132 15.950 1.00 1.11 H new ATOM 0 HB2 LYS A 59 -4.208 3.495 14.501 1.00 10.04 H new ATOM 0 HB3 LYS A 59 -5.649 2.633 13.999 1.00 10.04 H new ATOM 0 HG2 LYS A 59 -5.748 2.240 16.710 1.00 70.43 H new ATOM 0 HG3 LYS A 59 -4.960 3.803 16.639 1.00 70.43 H new ATOM 0 HD2 LYS A 59 -7.444 3.261 14.995 1.00 65.30 H new ATOM 0 HD3 LYS A 59 -7.576 3.691 16.689 1.00 65.30 H new ATOM 0 HE2 LYS A 59 -5.757 5.569 15.688 1.00 22.50 H new ATOM 0 HE3 LYS A 59 -6.900 5.378 14.374 1.00 22.50 H new ATOM 0 HZ1 LYS A 59 -7.599 7.106 15.900 1.00 24.05 H new ATOM 0 HZ2 LYS A 59 -8.714 5.826 15.924 1.00 24.05 H new ATOM 0 HZ3 LYS A 59 -7.606 6.011 17.197 1.00 24.05 H new ATOM 965 N ILE A 60 -4.587 -0.066 13.004 1.00 61.32 N ATOM 966 CA ILE A 60 -5.275 -1.116 12.263 1.00 51.35 C ATOM 967 C ILE A 60 -4.853 -2.498 12.748 1.00 75.44 C ATOM 968 O ILE A 60 -5.682 -3.401 12.882 1.00 50.41 O ATOM 969 CB ILE A 60 -5.000 -1.009 10.751 1.00 32.11 C ATOM 970 CG1 ILE A 60 -5.399 0.374 10.234 1.00 50.43 C ATOM 971 CG2 ILE A 60 -5.750 -2.098 9.999 1.00 63.25 C ATOM 972 CD1 ILE A 60 -4.884 0.672 8.843 1.00 72.15 C ATOM 0 H ILE A 60 -3.817 0.372 12.499 1.00 61.32 H new ATOM 0 HA ILE A 60 -6.342 -0.981 12.441 1.00 51.35 H new ATOM 0 HB ILE A 60 -3.932 -1.145 10.580 1.00 32.11 H new ATOM 0 HG12 ILE A 60 -6.486 0.453 10.235 1.00 50.43 H new ATOM 0 HG13 ILE A 60 -5.024 1.132 10.922 1.00 50.43 H new ATOM 0 HG21 ILE A 60 -5.546 -2.010 8.932 1.00 63.25 H new ATOM 0 HG22 ILE A 60 -5.422 -3.076 10.352 1.00 63.25 H new ATOM 0 HG23 ILE A 60 -6.820 -1.990 10.174 1.00 63.25 H new ATOM 0 HD11 ILE A 60 -5.205 1.669 8.542 1.00 72.15 H new ATOM 0 HD12 ILE A 60 -3.795 0.626 8.840 1.00 72.15 H new ATOM 0 HD13 ILE A 60 -5.280 -0.064 8.143 1.00 72.15 H new ATOM 984 N LEU A 61 -3.562 -2.658 13.012 1.00 72.32 N ATOM 985 CA LEU A 61 -3.030 -3.932 13.486 1.00 51.35 C ATOM 986 C LEU A 61 -3.655 -4.320 14.822 1.00 11.02 C ATOM 987 O LEU A 61 -3.990 -5.483 15.049 1.00 60.05 O ATOM 988 CB LEU A 61 -1.508 -3.850 13.626 1.00 33.33 C ATOM 989 CG LEU A 61 -0.723 -3.681 12.325 1.00 61.21 C ATOM 990 CD1 LEU A 61 0.773 -3.717 12.596 1.00 21.42 C ATOM 991 CD2 LEU A 61 -1.112 -4.759 11.323 1.00 63.21 C ATOM 0 H LEU A 61 -2.863 -1.922 12.906 1.00 72.32 H new ATOM 0 HA LEU A 61 -3.281 -4.698 12.753 1.00 51.35 H new ATOM 0 HB2 LEU A 61 -1.268 -3.014 14.283 1.00 33.33 H new ATOM 0 HB3 LEU A 61 -1.159 -4.756 14.122 1.00 33.33 H new ATOM 0 HG LEU A 61 -0.971 -2.710 11.897 1.00 61.21 H new ATOM 0 HD11 LEU A 61 1.316 -3.595 11.659 1.00 21.42 H new ATOM 0 HD12 LEU A 61 1.039 -2.908 13.277 1.00 21.42 H new ATOM 0 HD13 LEU A 61 1.038 -4.673 13.047 1.00 21.42 H new ATOM 0 HD21 LEU A 61 -0.543 -4.623 10.403 1.00 63.21 H new ATOM 0 HD22 LEU A 61 -0.894 -5.741 11.742 1.00 63.21 H new ATOM 0 HD23 LEU A 61 -2.177 -4.686 11.105 1.00 63.21 H new ATOM 1003 N THR A 62 -3.811 -3.338 15.704 1.00 4.53 N ATOM 1004 CA THR A 62 -4.396 -3.576 17.017 1.00 21.11 C ATOM 1005 C THR A 62 -5.858 -3.991 16.900 1.00 30.54 C ATOM 1006 O THR A 62 -6.381 -4.709 17.753 1.00 22.03 O ATOM 1007 CB THR A 62 -4.300 -2.324 17.910 1.00 23.53 C ATOM 1008 OG1 THR A 62 -4.079 -2.710 19.271 1.00 31.24 O ATOM 1009 CG2 THR A 62 -5.569 -1.492 17.814 1.00 74.11 C ATOM 0 H THR A 62 -3.540 -2.370 15.532 1.00 4.53 H new ATOM 0 HA THR A 62 -3.827 -4.385 17.475 1.00 21.11 H new ATOM 0 HB THR A 62 -3.462 -1.720 17.562 1.00 23.53 H new ATOM 0 HG1 THR A 62 -4.017 -1.909 19.832 1.00 31.24 H new ATOM 0 HG21 THR A 62 -5.477 -0.614 18.453 1.00 74.11 H new ATOM 0 HG22 THR A 62 -5.719 -1.176 16.782 1.00 74.11 H new ATOM 0 HG23 THR A 62 -6.421 -2.089 18.138 1.00 74.11 H new ATOM 1017 N VAL A 63 -6.515 -3.537 15.837 1.00 20.13 N ATOM 1018 CA VAL A 63 -7.917 -3.863 15.608 1.00 72.55 C ATOM 1019 C VAL A 63 -8.063 -5.238 14.964 1.00 12.31 C ATOM 1020 O VAL A 63 -9.010 -5.971 15.250 1.00 74.41 O ATOM 1021 CB VAL A 63 -8.598 -2.813 14.709 1.00 23.21 C ATOM 1022 CG1 VAL A 63 -10.023 -3.232 14.384 1.00 23.21 C ATOM 1023 CG2 VAL A 63 -8.574 -1.446 15.376 1.00 32.33 C ATOM 0 H VAL A 63 -6.098 -2.942 15.121 1.00 20.13 H new ATOM 0 HA VAL A 63 -8.404 -3.867 16.583 1.00 72.55 H new ATOM 0 HB VAL A 63 -8.043 -2.745 13.773 1.00 23.21 H new ATOM 0 HG11 VAL A 63 -10.488 -2.478 13.748 1.00 23.21 H new ATOM 0 HG12 VAL A 63 -10.011 -4.189 13.863 1.00 23.21 H new ATOM 0 HG13 VAL A 63 -10.593 -3.329 15.308 1.00 23.21 H new ATOM 0 HG21 VAL A 63 -9.059 -0.716 14.728 1.00 32.33 H new ATOM 0 HG22 VAL A 63 -9.105 -1.496 16.327 1.00 32.33 H new ATOM 0 HG23 VAL A 63 -7.541 -1.145 15.552 1.00 32.33 H new ATOM 1033 N LEU A 64 -7.118 -5.581 14.096 1.00 74.32 N ATOM 1034 CA LEU A 64 -7.141 -6.869 13.411 1.00 64.12 C ATOM 1035 C LEU A 64 -6.539 -7.962 14.288 1.00 21.30 C ATOM 1036 O LEU A 64 -6.812 -9.147 14.095 1.00 24.31 O ATOM 1037 CB LEU A 64 -6.375 -6.780 12.090 1.00 53.03 C ATOM 1038 CG LEU A 64 -7.033 -5.949 10.987 1.00 22.31 C ATOM 1039 CD1 LEU A 64 -6.136 -5.884 9.761 1.00 11.01 C ATOM 1040 CD2 LEU A 64 -8.394 -6.527 10.625 1.00 44.42 C ATOM 0 H LEU A 64 -6.327 -4.986 13.850 1.00 74.32 H new ATOM 0 HA LEU A 64 -8.180 -7.125 13.205 1.00 64.12 H new ATOM 0 HB2 LEU A 64 -5.389 -6.362 12.292 1.00 53.03 H new ATOM 0 HB3 LEU A 64 -6.222 -7.791 11.713 1.00 53.03 H new ATOM 0 HG LEU A 64 -7.178 -4.935 11.359 1.00 22.31 H new ATOM 0 HD11 LEU A 64 -6.620 -5.289 8.987 1.00 11.01 H new ATOM 0 HD12 LEU A 64 -5.185 -5.425 10.030 1.00 11.01 H new ATOM 0 HD13 LEU A 64 -5.959 -6.892 9.386 1.00 11.01 H new ATOM 0 HD21 LEU A 64 -8.848 -5.924 9.839 1.00 44.42 H new ATOM 0 HD22 LEU A 64 -8.272 -7.551 10.272 1.00 44.42 H new ATOM 0 HD23 LEU A 64 -9.038 -6.521 11.505 1.00 44.42 H new ATOM 1052 N ASP A 65 -5.721 -7.556 15.253 1.00 61.04 N ATOM 1053 CA ASP A 65 -5.083 -8.501 16.163 1.00 41.35 C ATOM 1054 C ASP A 65 -6.113 -9.446 16.774 1.00 23.20 C ATOM 1055 O ASP A 65 -6.052 -10.664 16.603 1.00 54.23 O ATOM 1056 CB ASP A 65 -4.338 -7.752 17.269 1.00 64.40 C ATOM 1057 CG ASP A 65 -4.332 -8.514 18.580 1.00 44.43 C ATOM 1058 OD1 ASP A 65 -3.988 -9.714 18.567 1.00 70.45 O ATOM 1059 OD2 ASP A 65 -4.670 -7.909 19.619 1.00 21.40 O ATOM 0 H ASP A 65 -5.484 -6.579 15.425 1.00 61.04 H new ATOM 0 HA ASP A 65 -4.368 -9.093 15.592 1.00 41.35 H new ATOM 0 HB2 ASP A 65 -3.311 -7.570 16.953 1.00 64.40 H new ATOM 0 HB3 ASP A 65 -4.802 -6.777 17.420 1.00 64.40 H new ATOM 1064 N PRO A 66 -7.079 -8.874 17.506 1.00 13.54 N ATOM 1065 CA PRO A 66 -8.140 -9.647 18.160 1.00 73.11 C ATOM 1066 C PRO A 66 -9.119 -10.249 17.158 1.00 74.32 C ATOM 1067 O PRO A 66 -9.839 -11.196 17.472 1.00 72.24 O ATOM 1068 CB PRO A 66 -8.844 -8.610 19.039 1.00 31.20 C ATOM 1069 CG PRO A 66 -8.577 -7.305 18.374 1.00 52.24 C ATOM 1070 CD PRO A 66 -7.213 -7.428 17.753 1.00 10.31 C ATOM 0 HA PRO A 66 -7.743 -10.497 18.715 1.00 73.11 H new ATOM 0 HB2 PRO A 66 -9.914 -8.809 19.106 1.00 31.20 H new ATOM 0 HB3 PRO A 66 -8.453 -8.623 20.056 1.00 31.20 H new ATOM 0 HG2 PRO A 66 -9.332 -7.091 17.618 1.00 52.24 H new ATOM 0 HG3 PRO A 66 -8.606 -6.487 19.094 1.00 52.24 H new ATOM 0 HD2 PRO A 66 -7.139 -6.854 16.829 1.00 10.31 H new ATOM 0 HD3 PRO A 66 -6.433 -7.060 18.420 1.00 10.31 H new ATOM 1078 N MET A 67 -9.141 -9.692 15.951 1.00 63.42 N ATOM 1079 CA MET A 67 -10.031 -10.177 14.902 1.00 15.30 C ATOM 1080 C MET A 67 -9.476 -11.443 14.259 1.00 24.22 C ATOM 1081 O MET A 67 -10.220 -12.242 13.690 1.00 55.23 O ATOM 1082 CB MET A 67 -10.235 -9.098 13.838 1.00 52.14 C ATOM 1083 CG MET A 67 -11.640 -8.517 13.823 1.00 3.20 C ATOM 1084 SD MET A 67 -11.649 -6.728 13.594 1.00 34.33 S ATOM 1085 CE MET A 67 -12.779 -6.227 14.891 1.00 22.51 C ATOM 0 H MET A 67 -8.553 -8.905 15.675 1.00 63.42 H new ATOM 0 HA MET A 67 -10.992 -10.415 15.358 1.00 15.30 H new ATOM 0 HB2 MET A 67 -9.520 -8.293 14.007 1.00 52.14 H new ATOM 0 HB3 MET A 67 -10.015 -9.520 12.857 1.00 52.14 H new ATOM 0 HG2 MET A 67 -12.214 -8.985 13.023 1.00 3.20 H new ATOM 0 HG3 MET A 67 -12.140 -8.762 14.760 1.00 3.20 H new ATOM 0 HE1 MET A 67 -12.889 -5.143 14.879 1.00 22.51 H new ATOM 0 HE2 MET A 67 -13.751 -6.692 14.727 1.00 22.51 H new ATOM 0 HE3 MET A 67 -12.385 -6.541 15.858 1.00 22.51 H new ATOM 1095 N VAL A 68 -8.162 -11.621 14.352 1.00 25.43 N ATOM 1096 CA VAL A 68 -7.505 -12.792 13.780 1.00 13.31 C ATOM 1097 C VAL A 68 -8.133 -14.081 14.296 1.00 13.35 C ATOM 1098 O VAL A 68 -8.612 -14.918 13.531 1.00 30.15 O ATOM 1099 CB VAL A 68 -5.999 -12.803 14.099 1.00 12.33 C ATOM 1100 CG1 VAL A 68 -5.474 -14.230 14.149 1.00 60.11 C ATOM 1101 CG2 VAL A 68 -5.232 -11.979 13.076 1.00 22.40 C ATOM 0 H VAL A 68 -7.531 -10.969 14.818 1.00 25.43 H new ATOM 0 HA VAL A 68 -7.639 -12.734 12.700 1.00 13.31 H new ATOM 0 HB VAL A 68 -5.850 -12.352 15.080 1.00 12.33 H new ATOM 0 HG11 VAL A 68 -4.408 -14.218 14.376 1.00 60.11 H new ATOM 0 HG12 VAL A 68 -6.003 -14.785 14.923 1.00 60.11 H new ATOM 0 HG13 VAL A 68 -5.634 -14.711 13.184 1.00 60.11 H new ATOM 0 HG21 VAL A 68 -4.169 -11.998 13.317 1.00 22.40 H new ATOM 0 HG22 VAL A 68 -5.386 -12.398 12.082 1.00 22.40 H new ATOM 0 HG23 VAL A 68 -5.590 -10.950 13.095 1.00 22.40 H new ATOM 1111 N PRO A 69 -8.134 -14.247 15.628 1.00 21.42 N ATOM 1112 CA PRO A 69 -8.701 -15.433 16.277 1.00 1.32 C ATOM 1113 C PRO A 69 -10.222 -15.479 16.174 1.00 65.13 C ATOM 1114 O PRO A 69 -10.862 -16.391 16.696 1.00 75.44 O ATOM 1115 CB PRO A 69 -8.269 -15.277 17.738 1.00 41.03 C ATOM 1116 CG PRO A 69 -8.076 -13.811 17.922 1.00 62.14 C ATOM 1117 CD PRO A 69 -7.580 -13.290 16.601 1.00 11.03 C ATOM 0 HA PRO A 69 -8.357 -16.357 15.812 1.00 1.32 H new ATOM 0 HB2 PRO A 69 -9.027 -15.665 18.418 1.00 41.03 H new ATOM 0 HB3 PRO A 69 -7.349 -15.826 17.939 1.00 41.03 H new ATOM 0 HG2 PRO A 69 -9.010 -13.327 18.207 1.00 62.14 H new ATOM 0 HG3 PRO A 69 -7.357 -13.609 18.716 1.00 62.14 H new ATOM 0 HD2 PRO A 69 -7.931 -12.276 16.412 1.00 11.03 H new ATOM 0 HD3 PRO A 69 -6.491 -13.263 16.563 1.00 11.03 H new ATOM 1125 N THR A 70 -10.794 -14.489 15.495 1.00 22.31 N ATOM 1126 CA THR A 70 -12.240 -14.417 15.323 1.00 61.53 C ATOM 1127 C THR A 70 -12.605 -14.026 13.896 1.00 22.01 C ATOM 1128 O THR A 70 -13.622 -13.376 13.661 1.00 43.34 O ATOM 1129 CB THR A 70 -12.871 -13.406 16.298 1.00 12.24 C ATOM 1130 OG1 THR A 70 -12.087 -13.322 17.493 1.00 15.22 O ATOM 1131 CG2 THR A 70 -14.296 -13.809 16.647 1.00 55.33 C ATOM 0 H THR A 70 -10.278 -13.727 15.056 1.00 22.31 H new ATOM 0 HA THR A 70 -12.634 -15.411 15.536 1.00 61.53 H new ATOM 0 HB THR A 70 -12.895 -12.431 15.811 1.00 12.24 H new ATOM 0 HG1 THR A 70 -11.415 -12.615 17.395 1.00 15.22 H new ATOM 0 HG21 THR A 70 -14.722 -13.080 17.337 1.00 55.33 H new ATOM 0 HG22 THR A 70 -14.897 -13.843 15.739 1.00 55.33 H new ATOM 0 HG23 THR A 70 -14.291 -14.793 17.116 1.00 55.33 H new ATOM 1139 N GLY A 71 -11.766 -14.427 12.944 1.00 13.32 N ATOM 1140 CA GLY A 71 -12.019 -14.110 11.551 1.00 13.43 C ATOM 1141 C GLY A 71 -11.649 -15.247 10.621 1.00 72.41 C ATOM 1142 O GLY A 71 -11.196 -16.301 11.068 1.00 73.04 O ATOM 0 H GLY A 71 -10.916 -14.965 13.114 1.00 13.32 H new ATOM 0 HA2 GLY A 71 -13.074 -13.868 11.423 1.00 13.43 H new ATOM 0 HA3 GLY A 71 -11.453 -13.220 11.275 1.00 13.43 H new ATOM 1146 N SER A 72 -11.844 -15.035 9.323 1.00 31.52 N ATOM 1147 CA SER A 72 -11.533 -16.055 8.327 1.00 13.03 C ATOM 1148 C SER A 72 -10.448 -15.567 7.371 1.00 34.35 C ATOM 1149 O SER A 72 -9.815 -14.540 7.608 1.00 40.21 O ATOM 1150 CB SER A 72 -12.791 -16.430 7.540 1.00 2.43 C ATOM 1151 OG SER A 72 -12.921 -15.632 6.377 1.00 53.54 O ATOM 0 H SER A 72 -12.215 -14.167 8.937 1.00 31.52 H new ATOM 0 HA SER A 72 -11.163 -16.937 8.849 1.00 13.03 H new ATOM 0 HB2 SER A 72 -12.748 -17.483 7.260 1.00 2.43 H new ATOM 0 HB3 SER A 72 -13.670 -16.304 8.172 1.00 2.43 H new ATOM 0 HG SER A 72 -13.731 -15.892 5.891 1.00 53.54 H new ATOM 1157 N GLU A 73 -10.241 -16.314 6.291 1.00 13.40 N ATOM 1158 CA GLU A 73 -9.232 -15.959 5.300 1.00 14.22 C ATOM 1159 C GLU A 73 -9.392 -14.507 4.858 1.00 3.20 C ATOM 1160 O GLU A 73 -8.411 -13.776 4.727 1.00 55.55 O ATOM 1161 CB GLU A 73 -9.328 -16.886 4.087 1.00 63.31 C ATOM 1162 CG GLU A 73 -7.988 -17.447 3.642 1.00 22.54 C ATOM 1163 CD GLU A 73 -8.032 -18.945 3.404 1.00 42.52 C ATOM 1164 OE1 GLU A 73 -8.896 -19.395 2.622 1.00 24.21 O ATOM 1165 OE2 GLU A 73 -7.203 -19.664 3.998 1.00 25.34 O ATOM 0 H GLU A 73 -10.758 -17.168 6.080 1.00 13.40 H new ATOM 0 HA GLU A 73 -8.251 -16.075 5.760 1.00 14.22 H new ATOM 0 HB2 GLU A 73 -9.998 -17.713 4.324 1.00 63.31 H new ATOM 0 HB3 GLU A 73 -9.777 -16.340 3.258 1.00 63.31 H new ATOM 0 HG2 GLU A 73 -7.675 -16.946 2.726 1.00 22.54 H new ATOM 0 HG3 GLU A 73 -7.236 -17.225 4.399 1.00 22.54 H new ATOM 1172 N ASN A 74 -10.635 -14.097 4.629 1.00 33.01 N ATOM 1173 CA ASN A 74 -10.924 -12.734 4.200 1.00 54.41 C ATOM 1174 C ASN A 74 -10.361 -11.721 5.192 1.00 2.23 C ATOM 1175 O ASN A 74 -9.874 -10.658 4.803 1.00 55.35 O ATOM 1176 CB ASN A 74 -12.433 -12.532 4.051 1.00 75.53 C ATOM 1177 CG ASN A 74 -13.025 -13.394 2.952 1.00 13.25 C ATOM 1178 OD1 ASN A 74 -12.797 -14.603 2.904 1.00 2.15 O ATOM 1179 ND2 ASN A 74 -13.792 -12.774 2.063 1.00 70.02 N ATOM 0 H ASN A 74 -11.459 -14.690 4.733 1.00 33.01 H new ATOM 0 HA ASN A 74 -10.446 -12.576 3.233 1.00 54.41 H new ATOM 0 HB2 ASN A 74 -12.923 -12.765 4.996 1.00 75.53 H new ATOM 0 HB3 ASN A 74 -12.637 -11.483 3.836 1.00 75.53 H new ATOM 0 HD21 ASN A 74 -14.219 -13.302 1.302 1.00 70.02 H new ATOM 0 HD22 ASN A 74 -13.954 -11.770 2.141 1.00 70.02 H new ATOM 1186 N LEU A 75 -10.429 -12.056 6.476 1.00 63.45 N ATOM 1187 CA LEU A 75 -9.925 -11.177 7.525 1.00 73.34 C ATOM 1188 C LEU A 75 -8.412 -11.305 7.662 1.00 63.12 C ATOM 1189 O LEU A 75 -7.686 -10.313 7.603 1.00 63.11 O ATOM 1190 CB LEU A 75 -10.599 -11.503 8.859 1.00 74.20 C ATOM 1191 CG LEU A 75 -10.212 -10.616 10.042 1.00 41.51 C ATOM 1192 CD1 LEU A 75 -11.450 -10.172 10.804 1.00 42.42 C ATOM 1193 CD2 LEU A 75 -9.249 -11.348 10.965 1.00 4.20 C ATOM 0 H LEU A 75 -10.829 -12.931 6.816 1.00 63.45 H new ATOM 0 HA LEU A 75 -10.161 -10.149 7.248 1.00 73.34 H new ATOM 0 HB2 LEU A 75 -11.679 -11.441 8.722 1.00 74.20 H new ATOM 0 HB3 LEU A 75 -10.369 -12.537 9.116 1.00 74.20 H new ATOM 0 HG LEU A 75 -9.710 -9.728 9.657 1.00 41.51 H new ATOM 0 HD11 LEU A 75 -11.154 -9.541 11.643 1.00 42.42 H new ATOM 0 HD12 LEU A 75 -12.104 -9.608 10.139 1.00 42.42 H new ATOM 0 HD13 LEU A 75 -11.981 -11.048 11.178 1.00 42.42 H new ATOM 0 HD21 LEU A 75 -8.984 -10.701 11.802 1.00 4.20 H new ATOM 0 HD22 LEU A 75 -9.724 -12.253 11.342 1.00 4.20 H new ATOM 0 HD23 LEU A 75 -8.348 -11.614 10.413 1.00 4.20 H new ATOM 1205 N LYS A 76 -7.941 -12.534 7.844 1.00 23.31 N ATOM 1206 CA LYS A 76 -6.514 -12.795 7.986 1.00 44.20 C ATOM 1207 C LYS A 76 -5.735 -12.213 6.811 1.00 24.54 C ATOM 1208 O LYS A 76 -4.594 -11.777 6.965 1.00 20.32 O ATOM 1209 CB LYS A 76 -6.256 -14.300 8.088 1.00 41.03 C ATOM 1210 CG LYS A 76 -6.057 -14.789 9.513 1.00 55.52 C ATOM 1211 CD LYS A 76 -5.870 -16.295 9.565 1.00 61.11 C ATOM 1212 CE LYS A 76 -6.448 -16.885 10.841 1.00 33.03 C ATOM 1213 NZ LYS A 76 -5.382 -17.306 11.791 1.00 12.34 N ATOM 0 H LYS A 76 -8.528 -13.366 7.897 1.00 23.31 H new ATOM 0 HA LYS A 76 -6.172 -12.312 8.901 1.00 44.20 H new ATOM 0 HB2 LYS A 76 -7.095 -14.835 7.643 1.00 41.03 H new ATOM 0 HB3 LYS A 76 -5.372 -14.549 7.501 1.00 41.03 H new ATOM 0 HG2 LYS A 76 -5.187 -14.298 9.949 1.00 55.52 H new ATOM 0 HG3 LYS A 76 -6.918 -14.507 10.119 1.00 55.52 H new ATOM 0 HD2 LYS A 76 -6.352 -16.752 8.701 1.00 61.11 H new ATOM 0 HD3 LYS A 76 -4.808 -16.533 9.501 1.00 61.11 H new ATOM 0 HE2 LYS A 76 -7.093 -16.149 11.322 1.00 33.03 H new ATOM 0 HE3 LYS A 76 -7.073 -17.743 10.593 1.00 33.03 H new ATOM 0 HZ1 LYS A 76 -5.818 -17.703 12.648 1.00 12.34 H new ATOM 0 HZ2 LYS A 76 -4.782 -18.027 11.342 1.00 12.34 H new ATOM 0 HZ3 LYS A 76 -4.801 -16.483 12.048 1.00 12.34 H new ATOM 1227 N SER A 77 -6.359 -12.209 5.637 1.00 25.22 N ATOM 1228 CA SER A 77 -5.723 -11.683 4.435 1.00 21.33 C ATOM 1229 C SER A 77 -5.314 -10.226 4.629 1.00 20.24 C ATOM 1230 O SER A 77 -4.226 -9.815 4.224 1.00 33.21 O ATOM 1231 CB SER A 77 -6.667 -11.805 3.238 1.00 34.34 C ATOM 1232 OG SER A 77 -6.500 -13.049 2.580 1.00 1.43 O ATOM 0 H SER A 77 -7.304 -12.564 5.493 1.00 25.22 H new ATOM 0 HA SER A 77 -4.826 -12.271 4.242 1.00 21.33 H new ATOM 0 HB2 SER A 77 -7.699 -11.703 3.573 1.00 34.34 H new ATOM 0 HB3 SER A 77 -6.478 -10.992 2.538 1.00 34.34 H new ATOM 0 HG SER A 77 -7.033 -13.734 3.035 1.00 1.43 H new ATOM 1238 N LEU A 78 -6.193 -9.451 5.253 1.00 14.51 N ATOM 1239 CA LEU A 78 -5.927 -8.039 5.502 1.00 43.41 C ATOM 1240 C LEU A 78 -4.821 -7.868 6.540 1.00 13.11 C ATOM 1241 O LEU A 78 -3.951 -7.010 6.399 1.00 23.13 O ATOM 1242 CB LEU A 78 -7.200 -7.334 5.976 1.00 63.03 C ATOM 1243 CG LEU A 78 -7.045 -5.867 6.376 1.00 4.25 C ATOM 1244 CD1 LEU A 78 -6.677 -5.020 5.169 1.00 43.33 C ATOM 1245 CD2 LEU A 78 -8.324 -5.352 7.020 1.00 1.55 C ATOM 0 H LEU A 78 -7.097 -9.777 5.596 1.00 14.51 H new ATOM 0 HA LEU A 78 -5.596 -7.587 4.567 1.00 43.41 H new ATOM 0 HB2 LEU A 78 -7.943 -7.397 5.181 1.00 63.03 H new ATOM 0 HB3 LEU A 78 -7.599 -7.882 6.829 1.00 63.03 H new ATOM 0 HG LEU A 78 -6.238 -5.793 7.105 1.00 4.25 H new ATOM 0 HD11 LEU A 78 -6.571 -3.979 5.474 1.00 43.33 H new ATOM 0 HD12 LEU A 78 -5.735 -5.373 4.750 1.00 43.33 H new ATOM 0 HD13 LEU A 78 -7.461 -5.100 4.416 1.00 43.33 H new ATOM 0 HD21 LEU A 78 -8.196 -4.306 7.298 1.00 1.55 H new ATOM 0 HD22 LEU A 78 -9.149 -5.441 6.313 1.00 1.55 H new ATOM 0 HD23 LEU A 78 -8.545 -5.940 7.911 1.00 1.55 H new ATOM 1257 N PHE A 79 -4.863 -8.693 7.581 1.00 64.44 N ATOM 1258 CA PHE A 79 -3.864 -8.636 8.642 1.00 42.45 C ATOM 1259 C PHE A 79 -2.454 -8.749 8.069 1.00 50.03 C ATOM 1260 O PHE A 79 -1.534 -8.067 8.517 1.00 61.34 O ATOM 1261 CB PHE A 79 -4.104 -9.752 9.660 1.00 70.01 C ATOM 1262 CG PHE A 79 -3.411 -9.526 10.973 1.00 44.43 C ATOM 1263 CD1 PHE A 79 -3.496 -8.301 11.614 1.00 51.40 C ATOM 1264 CD2 PHE A 79 -2.674 -10.539 11.566 1.00 71.05 C ATOM 1265 CE1 PHE A 79 -2.860 -8.089 12.823 1.00 61.21 C ATOM 1266 CE2 PHE A 79 -2.036 -10.333 12.774 1.00 61.54 C ATOM 1267 CZ PHE A 79 -2.127 -9.107 13.402 1.00 34.24 C ATOM 0 H PHE A 79 -5.578 -9.409 7.713 1.00 64.44 H new ATOM 0 HA PHE A 79 -3.958 -7.672 9.142 1.00 42.45 H new ATOM 0 HB2 PHE A 79 -5.175 -9.848 9.836 1.00 70.01 H new ATOM 0 HB3 PHE A 79 -3.764 -10.698 9.237 1.00 70.01 H new ATOM 0 HD1 PHE A 79 -4.066 -7.502 11.164 1.00 51.40 H new ATOM 0 HD2 PHE A 79 -2.598 -11.500 11.079 1.00 71.05 H new ATOM 0 HE1 PHE A 79 -2.936 -7.130 13.314 1.00 61.21 H new ATOM 0 HE2 PHE A 79 -1.466 -11.131 13.227 1.00 61.54 H new ATOM 0 HZ PHE A 79 -1.626 -8.944 14.345 1.00 34.24 H new ATOM 1277 N ASN A 80 -2.294 -9.618 7.075 1.00 52.40 N ATOM 1278 CA ASN A 80 -0.997 -9.823 6.441 1.00 11.03 C ATOM 1279 C ASN A 80 -0.655 -8.660 5.514 1.00 22.33 C ATOM 1280 O ASN A 80 0.503 -8.467 5.143 1.00 5.35 O ATOM 1281 CB ASN A 80 -0.992 -11.135 5.654 1.00 35.33 C ATOM 1282 CG ASN A 80 -0.688 -12.334 6.533 1.00 63.02 C ATOM 1283 OD1 ASN A 80 -0.501 -12.201 7.742 1.00 42.32 O ATOM 1284 ND2 ASN A 80 -0.637 -13.514 5.925 1.00 24.03 N ATOM 0 H ASN A 80 -3.046 -10.191 6.692 1.00 52.40 H new ATOM 0 HA ASN A 80 -0.241 -9.875 7.225 1.00 11.03 H new ATOM 0 HB2 ASN A 80 -1.962 -11.274 5.177 1.00 35.33 H new ATOM 0 HB3 ASN A 80 -0.251 -11.075 4.857 1.00 35.33 H new ATOM 0 HD21 ASN A 80 -0.436 -14.357 6.463 1.00 24.03 H new ATOM 0 HD22 ASN A 80 -0.799 -13.577 4.920 1.00 24.03 H new ATOM 1291 N THR A 81 -1.671 -7.889 5.142 1.00 42.32 N ATOM 1292 CA THR A 81 -1.479 -6.746 4.258 1.00 70.01 C ATOM 1293 C THR A 81 -1.169 -5.482 5.053 1.00 63.12 C ATOM 1294 O THR A 81 -0.344 -4.666 4.642 1.00 41.31 O ATOM 1295 CB THR A 81 -2.722 -6.496 3.384 1.00 52.20 C ATOM 1296 OG1 THR A 81 -3.081 -7.696 2.689 1.00 1.12 O ATOM 1297 CG2 THR A 81 -2.465 -5.382 2.382 1.00 1.41 C ATOM 0 H THR A 81 -2.636 -8.035 5.439 1.00 42.32 H new ATOM 0 HA THR A 81 -0.633 -6.984 3.614 1.00 70.01 H new ATOM 0 HB THR A 81 -3.542 -6.194 4.036 1.00 52.20 H new ATOM 0 HG1 THR A 81 -3.458 -8.341 3.323 1.00 1.12 H new ATOM 0 HG21 THR A 81 -3.357 -5.224 1.776 1.00 1.41 H new ATOM 0 HG22 THR A 81 -2.221 -4.463 2.915 1.00 1.41 H new ATOM 0 HG23 THR A 81 -1.632 -5.659 1.736 1.00 1.41 H new ATOM 1305 N VAL A 82 -1.833 -5.328 6.193 1.00 55.24 N ATOM 1306 CA VAL A 82 -1.627 -4.164 7.046 1.00 13.32 C ATOM 1307 C VAL A 82 -0.230 -4.169 7.655 1.00 33.21 C ATOM 1308 O VAL A 82 0.347 -3.115 7.922 1.00 2.01 O ATOM 1309 CB VAL A 82 -2.670 -4.106 8.180 1.00 64.51 C ATOM 1310 CG1 VAL A 82 -2.431 -2.892 9.063 1.00 12.41 C ATOM 1311 CG2 VAL A 82 -4.078 -4.091 7.607 1.00 33.52 C ATOM 0 H VAL A 82 -2.519 -5.995 6.548 1.00 55.24 H new ATOM 0 HA VAL A 82 -1.741 -3.284 6.413 1.00 13.32 H new ATOM 0 HB VAL A 82 -2.563 -4.999 8.796 1.00 64.51 H new ATOM 0 HG11 VAL A 82 -3.177 -2.868 9.858 1.00 12.41 H new ATOM 0 HG12 VAL A 82 -1.435 -2.952 9.502 1.00 12.41 H new ATOM 0 HG13 VAL A 82 -2.510 -1.985 8.464 1.00 12.41 H new ATOM 0 HG21 VAL A 82 -4.802 -4.050 8.421 1.00 33.52 H new ATOM 0 HG22 VAL A 82 -4.201 -3.217 6.967 1.00 33.52 H new ATOM 0 HG23 VAL A 82 -4.242 -4.995 7.021 1.00 33.52 H new ATOM 1321 N CYS A 83 0.309 -5.364 7.872 1.00 0.44 N ATOM 1322 CA CYS A 83 1.640 -5.508 8.451 1.00 23.34 C ATOM 1323 C CYS A 83 2.709 -4.991 7.493 1.00 52.31 C ATOM 1324 O CYS A 83 3.797 -4.597 7.913 1.00 11.05 O ATOM 1325 CB CYS A 83 1.914 -6.973 8.796 1.00 35.01 C ATOM 1326 SG CYS A 83 2.495 -7.964 7.401 1.00 43.44 S ATOM 0 H CYS A 83 -0.155 -6.246 7.656 1.00 0.44 H new ATOM 0 HA CYS A 83 1.677 -4.914 9.364 1.00 23.34 H new ATOM 0 HB2 CYS A 83 2.658 -7.015 9.592 1.00 35.01 H new ATOM 0 HB3 CYS A 83 1.001 -7.419 9.189 1.00 35.01 H new ATOM 0 HG CYS A 83 1.526 -8.125 6.550 1.00 43.44 H new ATOM 1332 N VAL A 84 2.391 -4.996 6.203 1.00 62.11 N ATOM 1333 CA VAL A 84 3.324 -4.529 5.184 1.00 52.32 C ATOM 1334 C VAL A 84 3.285 -3.010 5.061 1.00 63.02 C ATOM 1335 O VAL A 84 4.286 -2.332 5.300 1.00 34.41 O ATOM 1336 CB VAL A 84 3.014 -5.152 3.810 1.00 33.00 C ATOM 1337 CG1 VAL A 84 3.898 -4.541 2.734 1.00 2.13 C ATOM 1338 CG2 VAL A 84 3.187 -6.663 3.860 1.00 14.14 C ATOM 0 H VAL A 84 1.495 -5.318 5.838 1.00 62.11 H new ATOM 0 HA VAL A 84 4.320 -4.841 5.499 1.00 52.32 H new ATOM 0 HB VAL A 84 1.976 -4.936 3.558 1.00 33.00 H new ATOM 0 HG11 VAL A 84 3.664 -4.994 1.771 1.00 2.13 H new ATOM 0 HG12 VAL A 84 3.719 -3.467 2.683 1.00 2.13 H new ATOM 0 HG13 VAL A 84 4.945 -4.724 2.976 1.00 2.13 H new ATOM 0 HG21 VAL A 84 2.964 -7.087 2.881 1.00 14.14 H new ATOM 0 HG22 VAL A 84 4.214 -6.903 4.134 1.00 14.14 H new ATOM 0 HG23 VAL A 84 2.507 -7.083 4.601 1.00 14.14 H new ATOM 1348 N ILE A 85 2.126 -2.480 4.686 1.00 73.55 N ATOM 1349 CA ILE A 85 1.957 -1.041 4.531 1.00 3.44 C ATOM 1350 C ILE A 85 2.610 -0.285 5.684 1.00 31.22 C ATOM 1351 O ILE A 85 3.317 0.700 5.473 1.00 21.53 O ATOM 1352 CB ILE A 85 0.469 -0.654 4.456 1.00 72.00 C ATOM 1353 CG1 ILE A 85 -0.199 -1.340 3.262 1.00 13.12 C ATOM 1354 CG2 ILE A 85 0.320 0.857 4.355 1.00 15.14 C ATOM 1355 CD1 ILE A 85 0.217 -0.768 1.926 1.00 73.14 C ATOM 0 H ILE A 85 1.289 -3.027 4.484 1.00 73.55 H new ATOM 0 HA ILE A 85 2.443 -0.764 3.595 1.00 3.44 H new ATOM 0 HB ILE A 85 -0.025 -0.989 5.368 1.00 72.00 H new ATOM 0 HG12 ILE A 85 0.041 -2.403 3.283 1.00 13.12 H new ATOM 0 HG13 ILE A 85 -1.281 -1.255 3.363 1.00 13.12 H new ATOM 0 HG21 ILE A 85 -0.738 1.116 4.303 1.00 15.14 H new ATOM 0 HG22 ILE A 85 0.765 1.326 5.232 1.00 15.14 H new ATOM 0 HG23 ILE A 85 0.825 1.213 3.457 1.00 15.14 H new ATOM 0 HD11 ILE A 85 -0.295 -1.302 1.126 1.00 73.14 H new ATOM 0 HD12 ILE A 85 -0.048 0.289 1.884 1.00 73.14 H new ATOM 0 HD13 ILE A 85 1.295 -0.877 1.803 1.00 73.14 H new ATOM 1367 N TRP A 86 2.367 -0.754 6.904 1.00 43.00 N ATOM 1368 CA TRP A 86 2.933 -0.123 8.091 1.00 70.04 C ATOM 1369 C TRP A 86 4.448 0.001 7.972 1.00 13.24 C ATOM 1370 O TRP A 86 5.013 1.072 8.201 1.00 72.44 O ATOM 1371 CB TRP A 86 2.571 -0.924 9.342 1.00 35.40 C ATOM 1372 CG TRP A 86 3.093 -0.318 10.609 1.00 60.10 C ATOM 1373 CD1 TRP A 86 2.423 0.522 11.452 1.00 33.31 C ATOM 1374 CD2 TRP A 86 4.395 -0.502 11.174 1.00 63.12 C ATOM 1375 NE1 TRP A 86 3.230 0.871 12.508 1.00 65.11 N ATOM 1376 CE2 TRP A 86 4.445 0.255 12.361 1.00 70.31 C ATOM 1377 CE3 TRP A 86 5.523 -1.235 10.794 1.00 2.13 C ATOM 1378 CZ2 TRP A 86 5.580 0.299 13.168 1.00 74.45 C ATOM 1379 CZ3 TRP A 86 6.647 -1.190 11.596 1.00 44.41 C ATOM 1380 CH2 TRP A 86 6.669 -0.428 12.772 1.00 0.11 C ATOM 0 H TRP A 86 1.783 -1.568 7.096 1.00 43.00 H new ATOM 0 HA TRP A 86 2.511 0.878 8.175 1.00 70.04 H new ATOM 0 HB2 TRP A 86 1.486 -1.009 9.409 1.00 35.40 H new ATOM 0 HB3 TRP A 86 2.964 -1.936 9.243 1.00 35.40 H new ATOM 0 HD1 TRP A 86 1.408 0.862 11.310 1.00 33.31 H new ATOM 0 HE1 TRP A 86 2.967 1.488 13.276 1.00 65.11 H new ATOM 0 HE3 TRP A 86 5.516 -1.826 9.890 1.00 2.13 H new ATOM 0 HZ2 TRP A 86 5.599 0.886 14.074 1.00 74.45 H new ATOM 0 HZ3 TRP A 86 7.524 -1.752 11.312 1.00 44.41 H new ATOM 0 HH2 TRP A 86 7.563 -0.414 13.377 1.00 0.11 H new ATOM 1391 N CYS A 87 5.101 -1.100 7.614 1.00 0.54 N ATOM 1392 CA CYS A 87 6.552 -1.114 7.466 1.00 22.12 C ATOM 1393 C CYS A 87 7.018 0.032 6.575 1.00 2.43 C ATOM 1394 O CYS A 87 7.957 0.754 6.915 1.00 31.03 O ATOM 1395 CB CYS A 87 7.013 -2.450 6.882 1.00 72.33 C ATOM 1396 SG CYS A 87 7.734 -3.578 8.097 1.00 54.53 S ATOM 0 H CYS A 87 4.649 -1.994 7.421 1.00 0.54 H new ATOM 0 HA CYS A 87 6.995 -0.986 8.454 1.00 22.12 H new ATOM 0 HB2 CYS A 87 6.162 -2.940 6.408 1.00 72.33 H new ATOM 0 HB3 CYS A 87 7.747 -2.258 6.100 1.00 72.33 H new ATOM 0 HG CYS A 87 8.091 -4.680 7.508 1.00 54.53 H new ATOM 1402 N ILE A 88 6.360 0.194 5.432 1.00 14.24 N ATOM 1403 CA ILE A 88 6.708 1.252 4.493 1.00 32.20 C ATOM 1404 C ILE A 88 6.787 2.604 5.193 1.00 45.30 C ATOM 1405 O ILE A 88 7.640 3.433 4.871 1.00 11.31 O ATOM 1406 CB ILE A 88 5.687 1.341 3.343 1.00 43.41 C ATOM 1407 CG1 ILE A 88 5.604 0.006 2.601 1.00 74.44 C ATOM 1408 CG2 ILE A 88 6.065 2.462 2.385 1.00 31.12 C ATOM 1409 CD1 ILE A 88 4.351 -0.145 1.766 1.00 5.20 C ATOM 0 H ILE A 88 5.582 -0.395 5.134 1.00 14.24 H new ATOM 0 HA ILE A 88 7.686 1.001 4.082 1.00 32.20 H new ATOM 0 HB ILE A 88 4.706 1.563 3.764 1.00 43.41 H new ATOM 0 HG12 ILE A 88 6.476 -0.096 1.955 1.00 74.44 H new ATOM 0 HG13 ILE A 88 5.648 -0.807 3.326 1.00 74.44 H new ATOM 0 HG21 ILE A 88 5.334 2.513 1.578 1.00 31.12 H new ATOM 0 HG22 ILE A 88 6.079 3.410 2.922 1.00 31.12 H new ATOM 0 HG23 ILE A 88 7.053 2.267 1.968 1.00 31.12 H new ATOM 0 HD11 ILE A 88 4.360 -1.115 1.269 1.00 5.20 H new ATOM 0 HD12 ILE A 88 3.474 -0.075 2.410 1.00 5.20 H new ATOM 0 HD13 ILE A 88 4.315 0.646 1.017 1.00 5.20 H new ATOM 1421 N HIS A 89 5.894 2.822 6.153 1.00 20.34 N ATOM 1422 CA HIS A 89 5.865 4.074 6.902 1.00 34.40 C ATOM 1423 C HIS A 89 6.948 4.089 7.976 1.00 64.20 C ATOM 1424 O HIS A 89 7.473 5.172 8.234 1.00 32.14 O ATOM 1425 CB HIS A 89 4.491 4.275 7.546 1.00 44.54 C ATOM 1426 CG HIS A 89 3.363 4.275 6.561 1.00 71.31 C ATOM 1427 ND1 HIS A 89 3.338 5.081 5.443 1.00 41.12 N ATOM 1428 CD2 HIS A 89 2.216 3.557 6.530 1.00 55.31 C ATOM 1429 CE1 HIS A 89 2.224 4.862 4.768 1.00 64.41 C ATOM 1430 NE2 HIS A 89 1.526 3.940 5.406 1.00 70.51 N ATOM 0 H HIS A 89 5.181 2.148 6.431 1.00 20.34 H new ATOM 0 HA HIS A 89 6.056 4.890 6.206 1.00 34.40 H new ATOM 0 HB2 HIS A 89 4.323 3.485 8.278 1.00 44.54 H new ATOM 0 HB3 HIS A 89 4.488 5.220 8.089 1.00 44.54 H new ATOM 0 HD2 HIS A 89 1.902 2.820 7.254 1.00 55.31 H new ATOM 0 HE1 HIS A 89 1.934 5.353 3.851 1.00 64.41 H new ATOM 0 HE2 HIS A 89 0.621 3.572 5.112 1.00 70.51 H new ATOM 1438 N ALA A 90 7.287 2.957 8.585 1.00 14.23 N ATOM 1439 CA ALA A 90 8.318 2.923 9.615 1.00 10.24 C ATOM 1440 C ALA A 90 9.708 2.811 8.997 1.00 61.52 C ATOM 1441 O ALA A 90 10.693 2.587 9.700 1.00 72.42 O ATOM 1442 CB ALA A 90 8.069 1.768 10.573 1.00 40.04 C ATOM 0 H ALA A 90 6.863 2.052 8.383 1.00 14.23 H new ATOM 0 HA ALA A 90 8.271 3.859 10.172 1.00 10.24 H new ATOM 0 HB1 ALA A 90 8.846 1.755 11.337 1.00 40.04 H new ATOM 0 HB2 ALA A 90 7.096 1.893 11.048 1.00 40.04 H new ATOM 0 HB3 ALA A 90 8.086 0.828 10.022 1.00 40.04 H new ATOM 1448 N GLU A 91 9.779 2.968 7.678 1.00 31.52 N ATOM 1449 CA GLU A 91 11.048 2.882 6.967 1.00 61.44 C ATOM 1450 C GLU A 91 11.640 1.479 7.078 1.00 62.24 C ATOM 1451 O GLU A 91 12.777 1.308 7.515 1.00 24.44 O ATOM 1452 CB GLU A 91 12.038 3.909 7.519 1.00 53.45 C ATOM 1453 CG GLU A 91 13.092 4.340 6.512 1.00 5.12 C ATOM 1454 CD GLU A 91 14.356 4.853 7.176 1.00 71.23 C ATOM 1455 OE1 GLU A 91 14.295 5.209 8.371 1.00 44.14 O ATOM 1456 OE2 GLU A 91 15.406 4.898 6.499 1.00 35.23 O ATOM 0 H GLU A 91 8.973 3.155 7.082 1.00 31.52 H new ATOM 0 HA GLU A 91 10.861 3.097 5.915 1.00 61.44 H new ATOM 0 HB2 GLU A 91 11.488 4.788 7.855 1.00 53.45 H new ATOM 0 HB3 GLU A 91 12.534 3.489 8.394 1.00 53.45 H new ATOM 0 HG2 GLU A 91 13.341 3.497 5.868 1.00 5.12 H new ATOM 0 HG3 GLU A 91 12.680 5.120 5.871 1.00 5.12 H new ATOM 1463 N GLU A 92 10.859 0.480 6.679 1.00 64.03 N ATOM 1464 CA GLU A 92 11.306 -0.907 6.734 1.00 31.13 C ATOM 1465 C GLU A 92 11.130 -1.590 5.382 1.00 55.31 C ATOM 1466 O GLU A 92 10.075 -1.490 4.755 1.00 14.41 O ATOM 1467 CB GLU A 92 10.531 -1.672 7.809 1.00 23.22 C ATOM 1468 CG GLU A 92 11.129 -1.540 9.201 1.00 53.02 C ATOM 1469 CD GLU A 92 11.837 -2.803 9.653 1.00 13.11 C ATOM 1470 OE1 GLU A 92 12.390 -3.515 8.791 1.00 64.44 O ATOM 1471 OE2 GLU A 92 11.837 -3.077 10.872 1.00 45.51 O ATOM 0 H GLU A 92 9.915 0.605 6.315 1.00 64.03 H new ATOM 0 HA GLU A 92 12.366 -0.911 6.987 1.00 31.13 H new ATOM 0 HB2 GLU A 92 9.502 -1.312 7.829 1.00 23.22 H new ATOM 0 HB3 GLU A 92 10.494 -2.727 7.537 1.00 23.22 H new ATOM 0 HG2 GLU A 92 11.834 -0.709 9.212 1.00 53.02 H new ATOM 0 HG3 GLU A 92 10.338 -1.297 9.911 1.00 53.02 H new ATOM 1478 N LYS A 93 12.170 -2.285 4.936 1.00 4.22 N ATOM 1479 CA LYS A 93 12.133 -2.986 3.658 1.00 64.31 C ATOM 1480 C LYS A 93 12.048 -4.495 3.868 1.00 2.33 C ATOM 1481 O LYS A 93 12.851 -5.076 4.598 1.00 34.33 O ATOM 1482 CB LYS A 93 13.374 -2.646 2.829 1.00 0.34 C ATOM 1483 CG LYS A 93 13.561 -1.156 2.599 1.00 14.01 C ATOM 1484 CD LYS A 93 14.998 -0.730 2.846 1.00 3.22 C ATOM 1485 CE LYS A 93 15.198 -0.242 4.273 1.00 0.02 C ATOM 1486 NZ LYS A 93 16.251 -1.019 4.983 1.00 62.21 N ATOM 0 H LYS A 93 13.051 -2.378 5.442 1.00 4.22 H new ATOM 0 HA LYS A 93 11.243 -2.660 3.119 1.00 64.31 H new ATOM 0 HB2 LYS A 93 14.256 -3.041 3.332 1.00 0.34 H new ATOM 0 HB3 LYS A 93 13.305 -3.148 1.864 1.00 0.34 H new ATOM 0 HG2 LYS A 93 13.277 -0.906 1.577 1.00 14.01 H new ATOM 0 HG3 LYS A 93 12.897 -0.599 3.259 1.00 14.01 H new ATOM 0 HD2 LYS A 93 15.666 -1.569 2.650 1.00 3.22 H new ATOM 0 HD3 LYS A 93 15.269 0.062 2.148 1.00 3.22 H new ATOM 0 HE2 LYS A 93 15.471 0.813 4.261 1.00 0.02 H new ATOM 0 HE3 LYS A 93 14.258 -0.321 4.819 1.00 0.02 H new ATOM 0 HZ1 LYS A 93 16.357 -0.656 5.952 1.00 62.21 H new ATOM 0 HZ2 LYS A 93 15.979 -2.022 5.017 1.00 62.21 H new ATOM 0 HZ3 LYS A 93 17.154 -0.923 4.477 1.00 62.21 H new ATOM 1500 N VAL A 94 11.071 -5.123 3.222 1.00 55.33 N ATOM 1501 CA VAL A 94 10.882 -6.564 3.336 1.00 61.21 C ATOM 1502 C VAL A 94 10.905 -7.232 1.965 1.00 44.35 C ATOM 1503 O VAL A 94 10.237 -6.784 1.032 1.00 3.33 O ATOM 1504 CB VAL A 94 9.553 -6.903 4.037 1.00 65.44 C ATOM 1505 CG1 VAL A 94 9.589 -6.460 5.492 1.00 71.43 C ATOM 1506 CG2 VAL A 94 8.385 -6.260 3.304 1.00 45.13 C ATOM 0 H VAL A 94 10.398 -4.656 2.614 1.00 55.33 H new ATOM 0 HA VAL A 94 11.708 -6.944 3.937 1.00 61.21 H new ATOM 0 HB VAL A 94 9.415 -7.984 4.014 1.00 65.44 H new ATOM 0 HG11 VAL A 94 8.642 -6.708 5.971 1.00 71.43 H new ATOM 0 HG12 VAL A 94 10.401 -6.972 6.008 1.00 71.43 H new ATOM 0 HG13 VAL A 94 9.750 -5.383 5.541 1.00 71.43 H new ATOM 0 HG21 VAL A 94 7.454 -6.510 3.813 1.00 45.13 H new ATOM 0 HG22 VAL A 94 8.514 -5.178 3.293 1.00 45.13 H new ATOM 0 HG23 VAL A 94 8.350 -6.631 2.280 1.00 45.13 H new ATOM 1516 N LYS A 95 11.679 -8.305 1.849 1.00 45.25 N ATOM 1517 CA LYS A 95 11.790 -9.037 0.593 1.00 2.21 C ATOM 1518 C LYS A 95 10.442 -9.624 0.184 1.00 2.42 C ATOM 1519 O LYS A 95 9.979 -9.416 -0.937 1.00 11.25 O ATOM 1520 CB LYS A 95 12.827 -10.155 0.720 1.00 3.21 C ATOM 1521 CG LYS A 95 14.206 -9.662 1.123 1.00 63.24 C ATOM 1522 CD LYS A 95 15.294 -10.278 0.256 1.00 54.42 C ATOM 1523 CE LYS A 95 15.430 -9.546 -1.070 1.00 53.13 C ATOM 1524 NZ LYS A 95 16.285 -10.295 -2.031 1.00 61.44 N ATOM 0 H LYS A 95 12.239 -8.688 2.610 1.00 45.25 H new ATOM 0 HA LYS A 95 12.111 -8.337 -0.179 1.00 2.21 H new ATOM 0 HB2 LYS A 95 12.480 -10.879 1.457 1.00 3.21 H new ATOM 0 HB3 LYS A 95 12.902 -10.680 -0.232 1.00 3.21 H new ATOM 0 HG2 LYS A 95 14.244 -8.576 1.039 1.00 63.24 H new ATOM 0 HG3 LYS A 95 14.390 -9.908 2.169 1.00 63.24 H new ATOM 0 HD2 LYS A 95 16.245 -10.249 0.788 1.00 54.42 H new ATOM 0 HD3 LYS A 95 15.064 -11.327 0.072 1.00 54.42 H new ATOM 0 HE2 LYS A 95 14.442 -9.395 -1.504 1.00 53.13 H new ATOM 0 HE3 LYS A 95 15.857 -8.558 -0.897 1.00 53.13 H new ATOM 0 HZ1 LYS A 95 16.353 -9.764 -2.922 1.00 61.44 H new ATOM 0 HZ2 LYS A 95 17.236 -10.418 -1.627 1.00 61.44 H new ATOM 0 HZ3 LYS A 95 15.864 -11.228 -2.216 1.00 61.44 H new ATOM 1538 N ASP A 96 9.819 -10.356 1.101 1.00 15.54 N ATOM 1539 CA ASP A 96 8.523 -10.969 0.837 1.00 22.51 C ATOM 1540 C ASP A 96 7.564 -10.735 1.999 1.00 14.44 C ATOM 1541 O ASP A 96 7.986 -10.522 3.136 1.00 25.42 O ATOM 1542 CB ASP A 96 8.686 -12.469 0.589 1.00 22.54 C ATOM 1543 CG ASP A 96 9.451 -13.160 1.703 1.00 71.40 C ATOM 1544 OD1 ASP A 96 8.917 -13.237 2.829 1.00 3.13 O ATOM 1545 OD2 ASP A 96 10.582 -13.623 1.446 1.00 31.33 O ATOM 0 H ASP A 96 10.190 -10.539 2.033 1.00 15.54 H new ATOM 0 HA ASP A 96 8.104 -10.504 -0.055 1.00 22.51 H new ATOM 0 HB2 ASP A 96 7.702 -12.927 0.489 1.00 22.54 H new ATOM 0 HB3 ASP A 96 9.207 -12.624 -0.356 1.00 22.54 H new ATOM 1550 N THR A 97 6.266 -10.773 1.706 1.00 23.05 N ATOM 1551 CA THR A 97 5.247 -10.562 2.726 1.00 61.22 C ATOM 1552 C THR A 97 5.543 -11.382 3.977 1.00 13.44 C ATOM 1553 O THR A 97 5.546 -10.853 5.088 1.00 4.33 O ATOM 1554 CB THR A 97 3.846 -10.932 2.204 1.00 73.04 C ATOM 1555 OG1 THR A 97 3.490 -10.079 1.109 1.00 25.33 O ATOM 1556 CG2 THR A 97 2.807 -10.808 3.307 1.00 15.45 C ATOM 0 H THR A 97 5.897 -10.948 0.771 1.00 23.05 H new ATOM 0 HA THR A 97 5.266 -9.501 2.977 1.00 61.22 H new ATOM 0 HB THR A 97 3.871 -11.968 1.865 1.00 73.04 H new ATOM 0 HG1 THR A 97 2.815 -9.433 1.404 1.00 25.33 H new ATOM 0 HG21 THR A 97 1.826 -11.074 2.914 1.00 15.45 H new ATOM 0 HG22 THR A 97 3.064 -11.479 4.126 1.00 15.45 H new ATOM 0 HG23 THR A 97 2.785 -9.781 3.672 1.00 15.45 H new ATOM 1564 N GLU A 98 5.790 -12.673 3.789 1.00 64.31 N ATOM 1565 CA GLU A 98 6.087 -13.565 4.904 1.00 41.43 C ATOM 1566 C GLU A 98 7.184 -12.981 5.790 1.00 53.24 C ATOM 1567 O GLU A 98 7.220 -13.228 6.995 1.00 4.20 O ATOM 1568 CB GLU A 98 6.513 -14.941 4.387 1.00 74.04 C ATOM 1569 CG GLU A 98 5.374 -15.741 3.777 1.00 4.11 C ATOM 1570 CD GLU A 98 4.295 -16.081 4.786 1.00 34.34 C ATOM 1571 OE1 GLU A 98 4.603 -16.791 5.766 1.00 21.24 O ATOM 1572 OE2 GLU A 98 3.144 -15.638 4.597 1.00 55.35 O ATOM 0 H GLU A 98 5.791 -13.126 2.875 1.00 64.31 H new ATOM 0 HA GLU A 98 5.181 -13.674 5.500 1.00 41.43 H new ATOM 0 HB2 GLU A 98 7.296 -14.813 3.640 1.00 74.04 H new ATOM 0 HB3 GLU A 98 6.946 -15.511 5.209 1.00 74.04 H new ATOM 0 HG2 GLU A 98 4.934 -15.173 2.957 1.00 4.11 H new ATOM 0 HG3 GLU A 98 5.770 -16.662 3.350 1.00 4.11 H new ATOM 1579 N GLY A 99 8.077 -12.205 5.184 1.00 55.15 N ATOM 1580 CA GLY A 99 9.162 -11.598 5.931 1.00 13.14 C ATOM 1581 C GLY A 99 8.717 -10.375 6.710 1.00 70.44 C ATOM 1582 O GLY A 99 9.250 -10.086 7.781 1.00 32.23 O ATOM 0 H GLY A 99 8.068 -11.986 4.188 1.00 55.15 H new ATOM 0 HA2 GLY A 99 9.580 -12.332 6.620 1.00 13.14 H new ATOM 0 HA3 GLY A 99 9.960 -11.317 5.243 1.00 13.14 H new ATOM 1586 N ALA A 100 7.740 -9.655 6.170 1.00 43.21 N ATOM 1587 CA ALA A 100 7.224 -8.458 6.821 1.00 1.31 C ATOM 1588 C ALA A 100 6.456 -8.811 8.090 1.00 13.23 C ATOM 1589 O ALA A 100 6.507 -8.084 9.083 1.00 11.00 O ATOM 1590 CB ALA A 100 6.335 -7.677 5.864 1.00 44.01 C ATOM 0 H ALA A 100 7.290 -9.880 5.283 1.00 43.21 H new ATOM 0 HA ALA A 100 8.072 -7.834 7.102 1.00 1.31 H new ATOM 0 HB1 ALA A 100 5.957 -6.785 6.364 1.00 44.01 H new ATOM 0 HB2 ALA A 100 6.913 -7.384 4.988 1.00 44.01 H new ATOM 0 HB3 ALA A 100 5.497 -8.302 5.554 1.00 44.01 H new ATOM 1596 N LYS A 101 5.743 -9.931 8.052 1.00 21.25 N ATOM 1597 CA LYS A 101 4.964 -10.383 9.200 1.00 41.41 C ATOM 1598 C LYS A 101 5.876 -10.762 10.362 1.00 70.44 C ATOM 1599 O LYS A 101 5.450 -10.776 11.517 1.00 43.34 O ATOM 1600 CB LYS A 101 4.091 -11.577 8.811 1.00 23.40 C ATOM 1601 CG LYS A 101 2.655 -11.464 9.293 1.00 61.20 C ATOM 1602 CD LYS A 101 2.413 -12.316 10.527 1.00 34.13 C ATOM 1603 CE LYS A 101 2.277 -13.788 10.172 1.00 23.53 C ATOM 1604 NZ LYS A 101 0.855 -14.184 9.978 1.00 14.14 N ATOM 0 H LYS A 101 5.688 -10.543 7.238 1.00 21.25 H new ATOM 0 HA LYS A 101 4.323 -9.561 9.519 1.00 41.41 H new ATOM 0 HB2 LYS A 101 4.094 -11.680 7.726 1.00 23.40 H new ATOM 0 HB3 LYS A 101 4.532 -12.487 9.219 1.00 23.40 H new ATOM 0 HG2 LYS A 101 2.427 -10.422 9.518 1.00 61.20 H new ATOM 0 HG3 LYS A 101 1.978 -11.774 8.497 1.00 61.20 H new ATOM 0 HD2 LYS A 101 3.237 -12.185 11.228 1.00 34.13 H new ATOM 0 HD3 LYS A 101 1.508 -11.978 11.032 1.00 34.13 H new ATOM 0 HE2 LYS A 101 2.839 -13.995 9.261 1.00 23.53 H new ATOM 0 HE3 LYS A 101 2.718 -14.394 10.963 1.00 23.53 H new ATOM 0 HZ1 LYS A 101 0.811 -15.166 9.639 1.00 14.14 H new ATOM 0 HZ2 LYS A 101 0.347 -14.107 10.882 1.00 14.14 H new ATOM 0 HZ3 LYS A 101 0.412 -13.556 9.277 1.00 14.14 H new ATOM 1618 N GLN A 102 7.130 -11.068 10.048 1.00 44.21 N ATOM 1619 CA GLN A 102 8.102 -11.447 11.067 1.00 33.02 C ATOM 1620 C GLN A 102 8.693 -10.213 11.740 1.00 21.25 C ATOM 1621 O GLN A 102 8.971 -10.222 12.940 1.00 43.04 O ATOM 1622 CB GLN A 102 9.218 -12.290 10.450 1.00 61.25 C ATOM 1623 CG GLN A 102 9.153 -13.760 10.831 1.00 54.03 C ATOM 1624 CD GLN A 102 10.269 -14.169 11.771 1.00 24.32 C ATOM 1625 OE1 GLN A 102 10.344 -13.700 12.907 1.00 32.10 O ATOM 1626 NE2 GLN A 102 11.145 -15.051 11.302 1.00 2.11 N ATOM 0 H GLN A 102 7.497 -11.061 9.096 1.00 44.21 H new ATOM 0 HA GLN A 102 7.586 -12.039 11.823 1.00 33.02 H new ATOM 0 HB2 GLN A 102 9.170 -12.202 9.365 1.00 61.25 H new ATOM 0 HB3 GLN A 102 10.181 -11.885 10.760 1.00 61.25 H new ATOM 0 HG2 GLN A 102 8.192 -13.967 11.302 1.00 54.03 H new ATOM 0 HG3 GLN A 102 9.203 -14.368 9.928 1.00 54.03 H new ATOM 0 HE21 GLN A 102 11.045 -15.414 10.354 1.00 2.11 H new ATOM 0 HE22 GLN A 102 11.917 -15.365 11.890 1.00 2.11 H new ATOM 1635 N ILE A 103 8.884 -9.154 10.961 1.00 2.23 N ATOM 1636 CA ILE A 103 9.443 -7.913 11.482 1.00 10.43 C ATOM 1637 C ILE A 103 8.442 -7.195 12.382 1.00 74.32 C ATOM 1638 O ILE A 103 8.784 -6.749 13.477 1.00 55.12 O ATOM 1639 CB ILE A 103 9.867 -6.965 10.345 1.00 14.55 C ATOM 1640 CG1 ILE A 103 10.887 -7.649 9.434 1.00 1.44 C ATOM 1641 CG2 ILE A 103 10.439 -5.675 10.916 1.00 34.15 C ATOM 1642 CD1 ILE A 103 11.369 -6.772 8.299 1.00 2.25 C ATOM 0 H ILE A 103 8.660 -9.131 9.966 1.00 2.23 H new ATOM 0 HA ILE A 103 10.324 -8.183 12.065 1.00 10.43 H new ATOM 0 HB ILE A 103 8.987 -6.718 9.751 1.00 14.55 H new ATOM 0 HG12 ILE A 103 11.744 -7.960 10.031 1.00 1.44 H new ATOM 0 HG13 ILE A 103 10.442 -8.554 9.019 1.00 1.44 H new ATOM 0 HG21 ILE A 103 10.734 -5.015 10.100 1.00 34.15 H new ATOM 0 HG22 ILE A 103 9.683 -5.181 11.527 1.00 34.15 H new ATOM 0 HG23 ILE A 103 11.310 -5.904 11.531 1.00 34.15 H new ATOM 0 HD11 ILE A 103 12.090 -7.323 7.695 1.00 2.25 H new ATOM 0 HD12 ILE A 103 10.521 -6.482 7.678 1.00 2.25 H new ATOM 0 HD13 ILE A 103 11.843 -5.879 8.706 1.00 2.25 H new ATOM 1654 N VAL A 104 7.203 -7.089 11.912 1.00 53.33 N ATOM 1655 CA VAL A 104 6.150 -6.427 12.675 1.00 60.52 C ATOM 1656 C VAL A 104 5.844 -7.187 13.960 1.00 73.04 C ATOM 1657 O VAL A 104 5.754 -6.596 15.036 1.00 41.13 O ATOM 1658 CB VAL A 104 4.857 -6.296 11.848 1.00 5.24 C ATOM 1659 CG1 VAL A 104 3.756 -5.655 12.679 1.00 13.01 C ATOM 1660 CG2 VAL A 104 5.115 -5.495 10.581 1.00 51.33 C ATOM 0 H VAL A 104 6.904 -7.453 11.007 1.00 53.33 H new ATOM 0 HA VAL A 104 6.516 -5.431 12.924 1.00 60.52 H new ATOM 0 HB VAL A 104 4.527 -7.294 11.559 1.00 5.24 H new ATOM 0 HG11 VAL A 104 2.850 -5.570 12.079 1.00 13.01 H new ATOM 0 HG12 VAL A 104 3.555 -6.272 13.555 1.00 13.01 H new ATOM 0 HG13 VAL A 104 4.073 -4.663 13.000 1.00 13.01 H new ATOM 0 HG21 VAL A 104 4.191 -5.412 10.009 1.00 51.33 H new ATOM 0 HG22 VAL A 104 5.468 -4.499 10.846 1.00 51.33 H new ATOM 0 HG23 VAL A 104 5.871 -6.000 9.979 1.00 51.33 H new ATOM 1670 N ARG A 105 5.685 -8.501 13.841 1.00 31.25 N ATOM 1671 CA ARG A 105 5.387 -9.342 14.994 1.00 63.50 C ATOM 1672 C ARG A 105 6.392 -9.100 16.117 1.00 23.10 C ATOM 1673 O ARG A 105 6.011 -8.856 17.262 1.00 60.52 O ATOM 1674 CB ARG A 105 5.402 -10.818 14.592 1.00 33.00 C ATOM 1675 CG ARG A 105 5.040 -11.762 15.728 1.00 34.31 C ATOM 1676 CD ARG A 105 5.657 -13.138 15.527 1.00 14.45 C ATOM 1677 NE ARG A 105 5.176 -14.102 16.512 1.00 33.32 N ATOM 1678 CZ ARG A 105 3.967 -14.653 16.473 1.00 5.12 C ATOM 1679 NH1 ARG A 105 3.123 -14.336 15.502 1.00 71.31 N ATOM 1680 NH2 ARG A 105 3.602 -15.523 17.406 1.00 3.31 N ATOM 0 H ARG A 105 5.758 -9.006 12.958 1.00 31.25 H new ATOM 0 HA ARG A 105 4.393 -9.081 15.356 1.00 63.50 H new ATOM 0 HB2 ARG A 105 4.704 -10.969 13.769 1.00 33.00 H new ATOM 0 HB3 ARG A 105 6.394 -11.074 14.220 1.00 33.00 H new ATOM 0 HG2 ARG A 105 5.383 -11.343 16.674 1.00 34.31 H new ATOM 0 HG3 ARG A 105 3.956 -11.854 15.794 1.00 34.31 H new ATOM 0 HD2 ARG A 105 5.424 -13.497 14.525 1.00 14.45 H new ATOM 0 HD3 ARG A 105 6.742 -13.062 15.594 1.00 14.45 H new ATOM 0 HE ARG A 105 5.802 -14.367 17.272 1.00 33.32 H new ATOM 0 HH11 ARG A 105 3.401 -13.668 14.783 1.00 71.31 H new ATOM 0 HH12 ARG A 105 2.196 -14.760 15.474 1.00 71.31 H new ATOM 0 HH21 ARG A 105 4.250 -15.770 18.154 1.00 3.31 H new ATOM 0 HH22 ARG A 105 2.674 -15.945 17.375 1.00 3.31 H new ATOM 1694 N ARG A 106 7.676 -9.169 15.781 1.00 61.53 N ATOM 1695 CA ARG A 106 8.735 -8.960 16.760 1.00 14.25 C ATOM 1696 C ARG A 106 8.598 -7.592 17.424 1.00 63.31 C ATOM 1697 O ARG A 106 8.735 -7.464 18.642 1.00 41.34 O ATOM 1698 CB ARG A 106 10.106 -9.081 16.095 1.00 60.22 C ATOM 1699 CG ARG A 106 10.900 -10.294 16.552 1.00 41.04 C ATOM 1700 CD ARG A 106 12.323 -10.261 16.018 1.00 24.54 C ATOM 1701 NE ARG A 106 12.460 -11.014 14.775 1.00 73.55 N ATOM 1702 CZ ARG A 106 13.481 -10.871 13.937 1.00 73.13 C ATOM 1703 NH1 ARG A 106 14.450 -10.009 14.209 1.00 54.40 N ATOM 1704 NH2 ARG A 106 13.534 -11.592 12.824 1.00 22.01 N ATOM 0 H ARG A 106 8.008 -9.368 14.837 1.00 61.53 H new ATOM 0 HA ARG A 106 8.643 -9.729 17.527 1.00 14.25 H new ATOM 0 HB2 ARG A 106 9.973 -9.131 15.014 1.00 60.22 H new ATOM 0 HB3 ARG A 106 10.683 -8.180 16.304 1.00 60.22 H new ATOM 0 HG2 ARG A 106 10.920 -10.328 17.641 1.00 41.04 H new ATOM 0 HG3 ARG A 106 10.404 -11.204 16.213 1.00 41.04 H new ATOM 0 HD2 ARG A 106 12.623 -9.227 15.850 1.00 24.54 H new ATOM 0 HD3 ARG A 106 13.000 -10.672 16.767 1.00 24.54 H new ATOM 0 HE ARG A 106 11.732 -11.687 14.537 1.00 73.55 H new ATOM 0 HH11 ARG A 106 14.413 -9.453 15.064 1.00 54.40 H new ATOM 0 HH12 ARG A 106 15.233 -9.901 13.564 1.00 54.40 H new ATOM 0 HH21 ARG A 106 12.790 -12.257 12.611 1.00 22.01 H new ATOM 0 HH22 ARG A 106 14.318 -11.481 12.181 1.00 22.01 H new ATOM 1718 N HIS A 107 8.328 -6.572 16.616 1.00 63.44 N ATOM 1719 CA HIS A 107 8.173 -5.213 17.123 1.00 11.24 C ATOM 1720 C HIS A 107 7.019 -5.134 18.118 1.00 33.50 C ATOM 1721 O HIS A 107 7.082 -4.267 18.991 1.00 75.31 O ATOM 1722 CB HIS A 107 7.934 -4.239 15.970 1.00 54.43 C ATOM 1723 CG HIS A 107 9.157 -3.974 15.146 1.00 54.30 C ATOM 1724 ND1 HIS A 107 10.396 -3.729 15.696 1.00 44.20 N ATOM 1725 CD2 HIS A 107 9.325 -3.918 13.804 1.00 53.01 C ATOM 1726 CE1 HIS A 107 11.274 -3.533 14.729 1.00 24.02 C ATOM 1727 NE2 HIS A 107 10.649 -3.643 13.570 1.00 42.40 N ATOM 0 H HIS A 107 8.212 -6.661 15.607 1.00 63.44 H new ATOM 0 HA HIS A 107 9.094 -4.936 17.637 1.00 11.24 H new ATOM 0 HB2 HIS A 107 7.151 -4.638 15.325 1.00 54.43 H new ATOM 0 HB3 HIS A 107 7.566 -3.295 16.373 1.00 54.43 H new ATOM 0 HD2 HIS A 107 8.559 -4.063 13.056 1.00 53.01 H new ATOM 0 HE1 HIS A 107 12.324 -3.319 14.863 1.00 24.02 H new ATOM 0 HE2 HIS A 107 11.080 -3.540 12.651 1.00 42.40 H new ATOM 1735 N LEU A 108 6.003 -5.985 18.017 1.00 43.12 N ATOM 1736 CA LEU A 108 4.878 -5.949 18.944 1.00 3.13 C ATOM 1737 C LEU A 108 5.252 -6.585 20.279 1.00 41.43 C ATOM 1738 O LEU A 108 4.941 -6.050 21.343 1.00 34.01 O ATOM 1739 CB LEU A 108 3.672 -6.671 18.342 1.00 54.34 C ATOM 1740 CG LEU A 108 3.043 -6.015 17.112 1.00 61.24 C ATOM 1741 CD1 LEU A 108 2.043 -6.957 16.458 1.00 63.11 C ATOM 1742 CD2 LEU A 108 2.373 -4.703 17.491 1.00 61.33 C ATOM 0 H LEU A 108 5.936 -6.709 17.301 1.00 43.12 H new ATOM 0 HA LEU A 108 4.618 -4.905 19.120 1.00 3.13 H new ATOM 0 HB2 LEU A 108 3.976 -7.683 18.074 1.00 54.34 H new ATOM 0 HB3 LEU A 108 2.906 -6.762 19.112 1.00 54.34 H new ATOM 0 HG LEU A 108 3.834 -5.801 16.393 1.00 61.24 H new ATOM 0 HD11 LEU A 108 1.605 -6.474 15.585 1.00 63.11 H new ATOM 0 HD12 LEU A 108 2.551 -7.871 16.150 1.00 63.11 H new ATOM 0 HD13 LEU A 108 1.255 -7.202 17.170 1.00 63.11 H new ATOM 0 HD21 LEU A 108 1.931 -4.250 16.603 1.00 61.33 H new ATOM 0 HD22 LEU A 108 1.593 -4.893 18.228 1.00 61.33 H new ATOM 0 HD23 LEU A 108 3.114 -4.025 17.913 1.00 61.33 H new