USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 848 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 72 SER OG : rot 154:sc= 0.331 USER MOD Set 1.2: A 74 ASN : amide:sc= 0.0238 K(o=0.35,f=-0.46) USER MOD Set 2.1: A 29 TYR OH : rot -10:sc= 1.32 USER MOD Set 2.2: A 80 ASN : amide:sc= -2.19 K(o=0.85,f=-1.8!) USER MOD Set 2.3: A 97 THR OG1 : rot 122:sc= 1.72 USER MOD Set 3.1: A 12 LYS NZ :NH3+ -112:sc= 0.823 (180deg=0) USER MOD Set 3.2: A 89 HIS : no HD1:sc= 0.497 K(o=1.3,f=-7.1!) USER MOD Single : A 11 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+ -147:sc= 0.438 (180deg=0.0364) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.688 K(o=-0.69,f=-7.8!) USER MOD Single : A 39 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 92:sc= 0.406 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 60:sc= 0.447 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0028) 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 -84:sc= 0.203 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 78:sc= 0.808 USER MOD Single : A 83 CYS SG : rot 120:sc= -2.21 USER MOD Single : A 87 CYS SG : rot 120:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -159:sc= -0.151 (180deg=-0.777) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0.476 K(o=0.48,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 67 N VAL A 7 7.317 2.832 -12.945 1.00 12.23 N ATOM 68 CA VAL A 7 8.263 3.653 -13.691 1.00 45.42 C ATOM 69 C VAL A 7 9.693 3.399 -13.227 1.00 30.22 C ATOM 70 O VAL A 7 10.594 3.192 -14.042 1.00 20.53 O ATOM 71 CB VAL A 7 7.945 5.152 -13.542 1.00 30.32 C ATOM 72 CG1 VAL A 7 8.835 5.981 -14.456 1.00 51.43 C ATOM 73 CG2 VAL A 7 6.475 5.416 -13.833 1.00 40.22 C ATOM 0 HA VAL A 7 8.168 3.373 -14.740 1.00 45.42 H new ATOM 0 HB VAL A 7 8.147 5.448 -12.513 1.00 30.32 H new ATOM 0 HG11 VAL A 7 8.595 7.038 -14.337 1.00 51.43 H new ATOM 0 HG12 VAL A 7 9.880 5.814 -14.195 1.00 51.43 H new ATOM 0 HG13 VAL A 7 8.668 5.686 -15.492 1.00 51.43 H new ATOM 0 HG21 VAL A 7 6.268 6.480 -13.723 1.00 40.22 H new ATOM 0 HG22 VAL A 7 6.244 5.105 -14.852 1.00 40.22 H new ATOM 0 HG23 VAL A 7 5.859 4.852 -13.133 1.00 40.22 H new ATOM 83 N LEU A 8 9.896 3.416 -11.915 1.00 61.23 N ATOM 84 CA LEU A 8 11.217 3.187 -11.341 1.00 24.21 C ATOM 85 C LEU A 8 11.183 2.045 -10.331 1.00 34.42 C ATOM 86 O LEU A 8 10.335 2.019 -9.439 1.00 0.14 O ATOM 87 CB LEU A 8 11.732 4.462 -10.671 1.00 53.34 C ATOM 88 CG LEU A 8 12.060 5.627 -11.605 1.00 51.04 C ATOM 89 CD1 LEU A 8 12.463 6.856 -10.804 1.00 24.32 C ATOM 90 CD2 LEU A 8 13.163 5.236 -12.577 1.00 44.11 C ATOM 0 H LEU A 8 9.162 3.586 -11.228 1.00 61.23 H new ATOM 0 HA LEU A 8 11.894 2.911 -12.150 1.00 24.21 H new ATOM 0 HB2 LEU A 8 10.984 4.798 -9.953 1.00 53.34 H new ATOM 0 HB3 LEU A 8 12.629 4.213 -10.104 1.00 53.34 H new ATOM 0 HG LEU A 8 11.166 5.870 -12.180 1.00 51.04 H new ATOM 0 HD11 LEU A 8 12.693 7.675 -11.485 1.00 24.32 H new ATOM 0 HD12 LEU A 8 11.642 7.148 -10.149 1.00 24.32 H new ATOM 0 HD13 LEU A 8 13.343 6.626 -10.203 1.00 24.32 H new ATOM 0 HD21 LEU A 8 13.384 6.077 -13.234 1.00 44.11 H new ATOM 0 HD22 LEU A 8 14.060 4.966 -12.020 1.00 44.11 H new ATOM 0 HD23 LEU A 8 12.837 4.385 -13.174 1.00 44.11 H new ATOM 102 N ARG A 9 12.111 1.105 -10.476 1.00 53.30 N ATOM 103 CA ARG A 9 12.187 -0.039 -9.575 1.00 34.14 C ATOM 104 C ARG A 9 12.952 0.320 -8.305 1.00 54.51 C ATOM 105 O ARG A 9 13.240 1.488 -8.051 1.00 73.33 O ATOM 106 CB ARG A 9 12.863 -1.220 -10.274 1.00 40.45 C ATOM 107 CG ARG A 9 14.321 -0.969 -10.621 1.00 31.15 C ATOM 108 CD ARG A 9 14.748 -1.770 -11.842 1.00 63.13 C ATOM 109 NE ARG A 9 15.193 -3.115 -11.485 1.00 50.42 N ATOM 110 CZ ARG A 9 15.589 -4.018 -12.375 1.00 11.43 C ATOM 111 NH1 ARG A 9 15.596 -3.721 -13.667 1.00 4.40 N ATOM 112 NH2 ARG A 9 15.979 -5.221 -11.973 1.00 1.32 N ATOM 0 H ARG A 9 12.821 1.113 -11.209 1.00 53.30 H new ATOM 0 HA ARG A 9 11.171 -0.322 -9.299 1.00 34.14 H new ATOM 0 HB2 ARG A 9 12.797 -2.098 -9.631 1.00 40.45 H new ATOM 0 HB3 ARG A 9 12.316 -1.452 -11.188 1.00 40.45 H new ATOM 0 HG2 ARG A 9 14.474 0.094 -10.810 1.00 31.15 H new ATOM 0 HG3 ARG A 9 14.950 -1.235 -9.771 1.00 31.15 H new ATOM 0 HD2 ARG A 9 13.915 -1.837 -12.541 1.00 63.13 H new ATOM 0 HD3 ARG A 9 15.554 -1.246 -12.356 1.00 63.13 H new ATOM 0 HE ARG A 9 15.200 -3.375 -10.499 1.00 50.42 H new ATOM 0 HH11 ARG A 9 15.297 -2.797 -13.980 1.00 4.40 H new ATOM 0 HH12 ARG A 9 15.901 -4.416 -14.348 1.00 4.40 H new ATOM 0 HH21 ARG A 9 15.975 -5.453 -10.980 1.00 1.32 H new ATOM 0 HH22 ARG A 9 16.283 -5.914 -12.657 1.00 1.32 H new ATOM 126 N GLY A 10 13.276 -0.694 -7.509 1.00 40.44 N ATOM 127 CA GLY A 10 14.002 -0.466 -6.273 1.00 1.01 C ATOM 128 C GLY A 10 15.406 0.053 -6.514 1.00 4.35 C ATOM 129 O GLY A 10 15.863 0.970 -5.834 1.00 73.23 O ATOM 0 H GLY A 10 13.049 -1.670 -7.698 1.00 40.44 H new ATOM 0 HA2 GLY A 10 13.454 0.249 -5.660 1.00 1.01 H new ATOM 0 HA3 GLY A 10 14.054 -1.397 -5.708 1.00 1.01 H new ATOM 133 N LYS A 11 16.095 -0.538 -7.485 1.00 13.34 N ATOM 134 CA LYS A 11 17.455 -0.132 -7.816 1.00 2.11 C ATOM 135 C LYS A 11 17.463 1.218 -8.527 1.00 43.54 C ATOM 136 O LYS A 11 18.452 1.950 -8.480 1.00 13.25 O ATOM 137 CB LYS A 11 18.126 -1.188 -8.697 1.00 52.13 C ATOM 138 CG LYS A 11 19.098 -2.080 -7.945 1.00 41.13 C ATOM 139 CD LYS A 11 20.334 -2.383 -8.776 1.00 11.53 C ATOM 140 CE LYS A 11 21.362 -3.171 -7.979 1.00 64.43 C ATOM 141 NZ LYS A 11 22.663 -3.269 -8.696 1.00 45.22 N ATOM 0 H LYS A 11 15.732 -1.301 -8.057 1.00 13.34 H new ATOM 0 HA LYS A 11 18.014 -0.036 -6.885 1.00 2.11 H new ATOM 0 HB2 LYS A 11 17.356 -1.809 -9.155 1.00 52.13 H new ATOM 0 HB3 LYS A 11 18.657 -0.689 -9.507 1.00 52.13 H new ATOM 0 HG2 LYS A 11 19.394 -1.595 -7.015 1.00 41.13 H new ATOM 0 HG3 LYS A 11 18.603 -3.013 -7.674 1.00 41.13 H new ATOM 0 HD2 LYS A 11 20.048 -2.949 -9.663 1.00 11.53 H new ATOM 0 HD3 LYS A 11 20.778 -1.450 -9.123 1.00 11.53 H new ATOM 0 HE2 LYS A 11 21.516 -2.693 -7.012 1.00 64.43 H new ATOM 0 HE3 LYS A 11 20.979 -4.173 -7.783 1.00 64.43 H new ATOM 0 HZ1 LYS A 11 23.337 -3.813 -8.120 1.00 45.22 H new ATOM 0 HZ2 LYS A 11 22.521 -3.748 -9.608 1.00 45.22 H new ATOM 0 HZ3 LYS A 11 23.041 -2.314 -8.861 1.00 45.22 H new ATOM 155 N LYS A 12 16.355 1.541 -9.183 1.00 35.44 N ATOM 156 CA LYS A 12 16.232 2.805 -9.902 1.00 41.52 C ATOM 157 C LYS A 12 15.838 3.934 -8.955 1.00 65.12 C ATOM 158 O LYS A 12 16.353 5.047 -9.054 1.00 41.02 O ATOM 159 CB LYS A 12 15.196 2.679 -11.021 1.00 14.23 C ATOM 160 CG LYS A 12 15.687 1.887 -12.220 1.00 32.30 C ATOM 161 CD LYS A 12 14.637 1.825 -13.316 1.00 30.04 C ATOM 162 CE LYS A 12 14.994 0.790 -14.372 1.00 22.01 C ATOM 163 NZ LYS A 12 14.758 1.299 -15.752 1.00 72.34 N ATOM 0 H LYS A 12 15.528 0.946 -9.232 1.00 35.44 H new ATOM 0 HA LYS A 12 17.202 3.043 -10.338 1.00 41.52 H new ATOM 0 HB2 LYS A 12 14.301 2.202 -10.623 1.00 14.23 H new ATOM 0 HB3 LYS A 12 14.906 3.677 -11.350 1.00 14.23 H new ATOM 0 HG2 LYS A 12 16.596 2.344 -12.611 1.00 32.30 H new ATOM 0 HG3 LYS A 12 15.948 0.876 -11.907 1.00 32.30 H new ATOM 0 HD2 LYS A 12 13.668 1.582 -12.880 1.00 30.04 H new ATOM 0 HD3 LYS A 12 14.539 2.805 -13.784 1.00 30.04 H new ATOM 0 HE2 LYS A 12 16.041 0.507 -14.264 1.00 22.01 H new ATOM 0 HE3 LYS A 12 14.402 -0.111 -14.211 1.00 22.01 H new ATOM 0 HZ1 LYS A 12 13.969 0.777 -16.184 1.00 72.34 H new ATOM 0 HZ2 LYS A 12 14.523 2.311 -15.713 1.00 72.34 H new ATOM 0 HZ3 LYS A 12 15.617 1.164 -16.323 1.00 72.34 H new ATOM 177 N ALA A 13 14.924 3.638 -8.037 1.00 71.20 N ATOM 178 CA ALA A 13 14.466 4.628 -7.070 1.00 53.12 C ATOM 179 C ALA A 13 15.643 5.305 -6.377 1.00 14.32 C ATOM 180 O ALA A 13 15.602 6.502 -6.092 1.00 73.34 O ATOM 181 CB ALA A 13 13.549 3.977 -6.044 1.00 72.15 C ATOM 0 H ALA A 13 14.486 2.721 -7.943 1.00 71.20 H new ATOM 0 HA ALA A 13 13.907 5.394 -7.608 1.00 53.12 H new ATOM 0 HB1 ALA A 13 13.214 4.727 -5.328 1.00 72.15 H new ATOM 0 HB2 ALA A 13 12.685 3.547 -6.550 1.00 72.15 H new ATOM 0 HB3 ALA A 13 14.091 3.190 -5.519 1.00 72.15 H new ATOM 187 N ASP A 14 16.689 4.532 -6.109 1.00 32.10 N ATOM 188 CA ASP A 14 17.879 5.059 -5.449 1.00 42.10 C ATOM 189 C ASP A 14 18.517 6.168 -6.280 1.00 14.55 C ATOM 190 O ASP A 14 18.632 7.306 -5.829 1.00 63.42 O ATOM 191 CB ASP A 14 18.892 3.938 -5.208 1.00 60.33 C ATOM 192 CG ASP A 14 19.415 3.927 -3.786 1.00 64.44 C ATOM 193 OD1 ASP A 14 18.708 3.408 -2.897 1.00 52.21 O ATOM 194 OD2 ASP A 14 20.533 4.436 -3.561 1.00 75.13 O ATOM 0 H ASP A 14 16.738 3.539 -6.338 1.00 32.10 H new ATOM 0 HA ASP A 14 17.576 5.478 -4.490 1.00 42.10 H new ATOM 0 HB2 ASP A 14 18.426 2.978 -5.428 1.00 60.33 H new ATOM 0 HB3 ASP A 14 19.728 4.053 -5.899 1.00 60.33 H new ATOM 199 N GLU A 15 18.927 5.826 -7.498 1.00 44.34 N ATOM 200 CA GLU A 15 19.555 6.792 -8.391 1.00 21.14 C ATOM 201 C GLU A 15 18.749 8.088 -8.443 1.00 43.31 C ATOM 202 O GLU A 15 19.310 9.177 -8.566 1.00 43.34 O ATOM 203 CB GLU A 15 19.691 6.206 -9.798 1.00 70.14 C ATOM 204 CG GLU A 15 21.127 6.125 -10.287 1.00 10.22 C ATOM 205 CD GLU A 15 21.782 7.487 -10.403 1.00 52.10 C ATOM 206 OE1 GLU A 15 21.590 8.152 -11.443 1.00 71.14 O ATOM 207 OE2 GLU A 15 22.488 7.889 -9.454 1.00 74.12 O ATOM 0 H GLU A 15 18.835 4.888 -7.888 1.00 44.34 H new ATOM 0 HA GLU A 15 20.548 7.017 -8.002 1.00 21.14 H new ATOM 0 HB2 GLU A 15 19.255 5.207 -9.810 1.00 70.14 H new ATOM 0 HB3 GLU A 15 19.113 6.815 -10.493 1.00 70.14 H new ATOM 0 HG2 GLU A 15 21.706 5.505 -9.602 1.00 10.22 H new ATOM 0 HG3 GLU A 15 21.149 5.632 -11.259 1.00 10.22 H new ATOM 214 N LEU A 16 17.430 7.960 -8.350 1.00 14.30 N ATOM 215 CA LEU A 16 16.545 9.120 -8.387 1.00 1.40 C ATOM 216 C LEU A 16 16.780 10.023 -7.180 1.00 2.21 C ATOM 217 O LEU A 16 17.011 11.222 -7.327 1.00 50.42 O ATOM 218 CB LEU A 16 15.084 8.670 -8.426 1.00 44.43 C ATOM 219 CG LEU A 16 14.063 9.739 -8.817 1.00 11.23 C ATOM 220 CD1 LEU A 16 13.877 10.739 -7.688 1.00 60.55 C ATOM 221 CD2 LEU A 16 14.494 10.447 -10.094 1.00 42.51 C ATOM 0 H LEU A 16 16.950 7.066 -8.249 1.00 14.30 H new ATOM 0 HA LEU A 16 16.768 9.688 -9.290 1.00 1.40 H new ATOM 0 HB2 LEU A 16 14.999 7.841 -9.128 1.00 44.43 H new ATOM 0 HB3 LEU A 16 14.817 8.284 -7.442 1.00 44.43 H new ATOM 0 HG LEU A 16 13.107 9.250 -9.002 1.00 11.23 H new ATOM 0 HD11 LEU A 16 13.147 11.492 -7.985 1.00 60.55 H new ATOM 0 HD12 LEU A 16 13.522 10.220 -6.798 1.00 60.55 H new ATOM 0 HD13 LEU A 16 14.829 11.223 -7.470 1.00 60.55 H new ATOM 0 HD21 LEU A 16 13.756 11.204 -10.357 1.00 42.51 H new ATOM 0 HD22 LEU A 16 15.462 10.923 -9.937 1.00 42.51 H new ATOM 0 HD23 LEU A 16 14.574 9.721 -10.903 1.00 42.51 H new ATOM 233 N GLU A 17 16.721 9.436 -5.989 1.00 34.01 N ATOM 234 CA GLU A 17 16.928 10.188 -4.757 1.00 53.14 C ATOM 235 C GLU A 17 18.330 10.789 -4.716 1.00 43.33 C ATOM 236 O GLU A 17 18.594 11.723 -3.958 1.00 2.41 O ATOM 237 CB GLU A 17 16.712 9.286 -3.540 1.00 41.15 C ATOM 238 CG GLU A 17 15.414 9.562 -2.800 1.00 71.23 C ATOM 239 CD GLU A 17 14.303 8.608 -3.193 1.00 71.23 C ATOM 240 OE1 GLU A 17 13.794 8.725 -4.327 1.00 12.22 O ATOM 241 OE2 GLU A 17 13.943 7.744 -2.366 1.00 4.02 O ATOM 0 H GLU A 17 16.532 8.443 -5.851 1.00 34.01 H new ATOM 0 HA GLU A 17 16.202 11.001 -4.731 1.00 53.14 H new ATOM 0 HB2 GLU A 17 16.722 8.245 -3.864 1.00 41.15 H new ATOM 0 HB3 GLU A 17 17.547 9.413 -2.851 1.00 41.15 H new ATOM 0 HG2 GLU A 17 15.589 9.487 -1.727 1.00 71.23 H new ATOM 0 HG3 GLU A 17 15.097 10.585 -3.000 1.00 71.23 H new ATOM 248 N ARG A 18 19.224 10.246 -5.535 1.00 23.23 N ATOM 249 CA ARG A 18 20.599 10.727 -5.592 1.00 30.11 C ATOM 250 C ARG A 18 20.700 11.988 -6.446 1.00 44.53 C ATOM 251 O ARG A 18 21.518 12.867 -6.176 1.00 21.15 O ATOM 252 CB ARG A 18 21.518 9.641 -6.156 1.00 22.30 C ATOM 253 CG ARG A 18 22.915 9.655 -5.556 1.00 2.44 C ATOM 254 CD ARG A 18 23.857 8.736 -6.319 1.00 61.22 C ATOM 255 NE ARG A 18 24.577 9.443 -7.374 1.00 11.34 N ATOM 256 CZ ARG A 18 25.375 8.841 -8.249 1.00 12.11 C ATOM 257 NH1 ARG A 18 25.555 7.529 -8.194 1.00 2.43 N ATOM 258 NH2 ARG A 18 25.995 9.553 -9.182 1.00 25.13 N ATOM 0 H ARG A 18 19.021 9.473 -6.168 1.00 23.23 H new ATOM 0 HA ARG A 18 20.915 10.971 -4.578 1.00 30.11 H new ATOM 0 HB2 ARG A 18 21.065 8.665 -5.979 1.00 22.30 H new ATOM 0 HB3 ARG A 18 21.594 9.766 -7.236 1.00 22.30 H new ATOM 0 HG2 ARG A 18 23.307 10.672 -5.568 1.00 2.44 H new ATOM 0 HG3 ARG A 18 22.867 9.344 -4.512 1.00 2.44 H new ATOM 0 HD2 ARG A 18 24.572 8.294 -5.626 1.00 61.22 H new ATOM 0 HD3 ARG A 18 23.288 7.915 -6.756 1.00 61.22 H new ATOM 0 HE ARG A 18 24.461 10.454 -7.443 1.00 11.34 H new ATOM 0 HH11 ARG A 18 25.080 6.979 -7.478 1.00 2.43 H new ATOM 0 HH12 ARG A 18 26.168 7.070 -8.867 1.00 2.43 H new ATOM 0 HH21 ARG A 18 25.859 10.563 -9.227 1.00 25.13 H new ATOM 0 HH22 ARG A 18 26.608 9.090 -9.854 1.00 25.13 H new ATOM 272 N ILE A 19 19.863 12.067 -7.475 1.00 1.02 N ATOM 273 CA ILE A 19 19.858 13.220 -8.367 1.00 50.12 C ATOM 274 C ILE A 19 19.416 14.481 -7.633 1.00 74.03 C ATOM 275 O ILE A 19 18.385 14.490 -6.960 1.00 23.21 O ATOM 276 CB ILE A 19 18.932 12.992 -9.576 1.00 13.51 C ATOM 277 CG1 ILE A 19 19.393 11.771 -10.376 1.00 61.40 C ATOM 278 CG2 ILE A 19 18.899 14.230 -10.459 1.00 21.44 C ATOM 279 CD1 ILE A 19 18.261 11.030 -11.053 1.00 20.43 C ATOM 0 H ILE A 19 19.180 11.347 -7.712 1.00 1.02 H new ATOM 0 HA ILE A 19 20.881 13.349 -8.722 1.00 50.12 H new ATOM 0 HB ILE A 19 17.922 12.804 -9.211 1.00 13.51 H new ATOM 0 HG12 ILE A 19 20.110 12.091 -11.132 1.00 61.40 H new ATOM 0 HG13 ILE A 19 19.917 11.086 -9.709 1.00 61.40 H new ATOM 0 HG21 ILE A 19 18.240 14.053 -11.309 1.00 21.44 H new ATOM 0 HG22 ILE A 19 18.528 15.078 -9.883 1.00 21.44 H new ATOM 0 HG23 ILE A 19 19.905 14.447 -10.818 1.00 21.44 H new ATOM 0 HD11 ILE A 19 18.661 10.177 -11.601 1.00 20.43 H new ATOM 0 HD12 ILE A 19 17.555 10.679 -10.301 1.00 20.43 H new ATOM 0 HD13 ILE A 19 17.751 11.699 -11.745 1.00 20.43 H new ATOM 291 N ARG A 20 20.201 15.544 -7.768 1.00 62.40 N ATOM 292 CA ARG A 20 19.891 16.811 -7.118 1.00 15.14 C ATOM 293 C ARG A 20 19.097 17.721 -8.052 1.00 72.30 C ATOM 294 O ARG A 20 19.415 17.843 -9.236 1.00 2.53 O ATOM 295 CB ARG A 20 21.177 17.513 -6.678 1.00 25.22 C ATOM 296 CG ARG A 20 21.618 17.149 -5.270 1.00 22.01 C ATOM 297 CD ARG A 20 23.132 17.054 -5.167 1.00 3.11 C ATOM 298 NE ARG A 20 23.610 17.372 -3.824 1.00 72.04 N ATOM 299 CZ ARG A 20 24.896 17.486 -3.510 1.00 71.25 C ATOM 300 NH1 ARG A 20 25.827 17.309 -4.436 1.00 32.52 N ATOM 301 NH2 ARG A 20 25.252 17.779 -2.265 1.00 1.21 N ATOM 0 H ARG A 20 21.057 15.553 -8.322 1.00 62.40 H new ATOM 0 HA ARG A 20 19.282 16.599 -6.239 1.00 15.14 H new ATOM 0 HB2 ARG A 20 21.975 17.262 -7.376 1.00 25.22 H new ATOM 0 HB3 ARG A 20 21.030 18.592 -6.736 1.00 25.22 H new ATOM 0 HG2 ARG A 20 21.251 17.897 -4.568 1.00 22.01 H new ATOM 0 HG3 ARG A 20 21.172 16.197 -4.983 1.00 22.01 H new ATOM 0 HD2 ARG A 20 23.451 16.047 -5.437 1.00 3.11 H new ATOM 0 HD3 ARG A 20 23.588 17.736 -5.885 1.00 3.11 H new ATOM 0 HE ARG A 20 22.919 17.514 -3.087 1.00 72.04 H new ATOM 0 HH11 ARG A 20 25.557 17.084 -5.394 1.00 32.52 H new ATOM 0 HH12 ARG A 20 26.813 17.397 -4.191 1.00 32.52 H new ATOM 0 HH21 ARG A 20 24.538 17.917 -1.549 1.00 1.21 H new ATOM 0 HH22 ARG A 20 26.239 17.866 -2.024 1.00 1.21 H new ATOM 315 N LEU A 21 18.064 18.358 -7.512 1.00 23.33 N ATOM 316 CA LEU A 21 17.224 19.256 -8.297 1.00 44.03 C ATOM 317 C LEU A 21 18.047 20.403 -8.877 1.00 55.51 C ATOM 318 O LEU A 21 17.820 20.831 -10.009 1.00 65.10 O ATOM 319 CB LEU A 21 16.091 19.812 -7.432 1.00 43.02 C ATOM 320 CG LEU A 21 14.908 18.875 -7.191 1.00 11.43 C ATOM 321 CD1 LEU A 21 13.974 19.453 -6.139 1.00 43.32 C ATOM 322 CD2 LEU A 21 14.157 18.619 -8.490 1.00 22.41 C ATOM 0 H LEU A 21 17.788 18.269 -6.534 1.00 23.33 H new ATOM 0 HA LEU A 21 16.797 18.686 -9.122 1.00 44.03 H new ATOM 0 HB2 LEU A 21 16.506 20.097 -6.465 1.00 43.02 H new ATOM 0 HB3 LEU A 21 15.718 20.723 -7.900 1.00 43.02 H new ATOM 0 HG LEU A 21 15.292 17.924 -6.823 1.00 11.43 H new ATOM 0 HD11 LEU A 21 13.138 18.772 -5.981 1.00 43.32 H new ATOM 0 HD12 LEU A 21 14.517 19.584 -5.203 1.00 43.32 H new ATOM 0 HD13 LEU A 21 13.597 20.418 -6.478 1.00 43.32 H new ATOM 0 HD21 LEU A 21 13.318 17.950 -8.299 1.00 22.41 H new ATOM 0 HD22 LEU A 21 13.785 19.563 -8.887 1.00 22.41 H new ATOM 0 HD23 LEU A 21 14.830 18.160 -9.215 1.00 22.41 H new ATOM 334 N ARG A 22 19.001 20.894 -8.094 1.00 61.34 N ATOM 335 CA ARG A 22 19.858 21.990 -8.530 1.00 10.51 C ATOM 336 C ARG A 22 21.331 21.606 -8.420 1.00 55.23 C ATOM 337 O ARG A 22 21.703 20.674 -7.706 1.00 11.15 O ATOM 338 CB ARG A 22 19.583 23.243 -7.697 1.00 44.23 C ATOM 339 CG ARG A 22 18.693 24.256 -8.398 1.00 54.14 C ATOM 340 CD ARG A 22 18.937 25.665 -7.879 1.00 53.12 C ATOM 341 NE ARG A 22 18.565 25.803 -6.474 1.00 40.32 N ATOM 342 CZ ARG A 22 18.697 26.932 -5.786 1.00 61.12 C ATOM 343 NH1 ARG A 22 19.190 28.015 -6.371 1.00 55.11 N ATOM 344 NH2 ARG A 22 18.336 26.979 -4.510 1.00 71.21 N ATOM 0 H ARG A 22 19.200 20.551 -7.154 1.00 61.34 H new ATOM 0 HA ARG A 22 19.632 22.200 -9.575 1.00 10.51 H new ATOM 0 HB2 ARG A 22 19.115 22.949 -6.758 1.00 44.23 H new ATOM 0 HB3 ARG A 22 20.532 23.718 -7.446 1.00 44.23 H new ATOM 0 HG2 ARG A 22 18.880 24.225 -9.471 1.00 54.14 H new ATOM 0 HG3 ARG A 22 17.647 23.988 -8.249 1.00 54.14 H new ATOM 0 HD2 ARG A 22 19.990 25.919 -8.002 1.00 53.12 H new ATOM 0 HD3 ARG A 22 18.366 26.375 -8.477 1.00 53.12 H new ATOM 0 HE ARG A 22 18.183 24.988 -5.994 1.00 40.32 H new ATOM 0 HH11 ARG A 22 19.469 27.983 -7.352 1.00 55.11 H new ATOM 0 HH12 ARG A 22 19.290 28.880 -5.840 1.00 55.11 H new ATOM 0 HH21 ARG A 22 17.957 26.148 -4.056 1.00 71.21 H new ATOM 0 HH22 ARG A 22 18.438 27.846 -3.983 1.00 71.21 H new ATOM 358 N PRO A 23 22.190 22.339 -9.143 1.00 33.53 N ATOM 359 CA PRO A 23 23.636 22.094 -9.143 1.00 15.35 C ATOM 360 C PRO A 23 24.286 22.464 -7.815 1.00 4.24 C ATOM 361 O PRO A 23 25.257 21.838 -7.393 1.00 40.43 O ATOM 362 CB PRO A 23 24.149 23.004 -10.262 1.00 61.30 C ATOM 363 CG PRO A 23 23.138 24.095 -10.357 1.00 40.11 C ATOM 364 CD PRO A 23 21.816 23.465 -10.016 1.00 31.12 C ATOM 0 HA PRO A 23 23.871 21.040 -9.290 1.00 15.35 H new ATOM 0 HB2 PRO A 23 25.138 23.400 -10.029 1.00 61.30 H new ATOM 0 HB3 PRO A 23 24.237 22.462 -11.204 1.00 61.30 H new ATOM 0 HG2 PRO A 23 23.373 24.906 -9.668 1.00 40.11 H new ATOM 0 HG3 PRO A 23 23.119 24.524 -11.359 1.00 40.11 H new ATOM 0 HD2 PRO A 23 21.156 24.167 -9.506 1.00 31.12 H new ATOM 0 HD3 PRO A 23 21.291 23.124 -10.908 1.00 31.12 H new ATOM 372 N GLY A 24 23.744 23.485 -7.159 1.00 73.11 N ATOM 373 CA GLY A 24 24.284 23.920 -5.884 1.00 25.12 C ATOM 374 C GLY A 24 23.249 23.898 -4.777 1.00 23.30 C ATOM 375 O GLY A 24 23.279 24.734 -3.875 1.00 52.40 O ATOM 0 H GLY A 24 22.940 24.019 -7.488 1.00 73.11 H new ATOM 0 HA2 GLY A 24 25.120 23.277 -5.609 1.00 25.12 H new ATOM 0 HA3 GLY A 24 24.680 24.930 -5.987 1.00 25.12 H new ATOM 379 N GLY A 25 22.330 22.941 -4.847 1.00 33.43 N ATOM 380 CA GLY A 25 21.292 22.834 -3.839 1.00 43.41 C ATOM 381 C GLY A 25 21.480 21.628 -2.941 1.00 51.50 C ATOM 382 O GLY A 25 22.492 20.933 -3.024 1.00 4.53 O ATOM 0 H GLY A 25 22.286 22.237 -5.584 1.00 33.43 H new ATOM 0 HA2 GLY A 25 21.285 23.739 -3.231 1.00 43.41 H new ATOM 0 HA3 GLY A 25 20.320 22.771 -4.328 1.00 43.41 H new ATOM 386 N LYS A 26 20.502 21.378 -2.076 1.00 11.51 N ATOM 387 CA LYS A 26 20.562 20.247 -1.157 1.00 34.13 C ATOM 388 C LYS A 26 19.285 19.416 -1.232 1.00 33.01 C ATOM 389 O LYS A 26 19.003 18.612 -0.343 1.00 1.05 O ATOM 390 CB LYS A 26 20.781 20.739 0.275 1.00 11.44 C ATOM 391 CG LYS A 26 21.972 21.670 0.423 1.00 12.24 C ATOM 392 CD LYS A 26 22.017 22.302 1.804 1.00 72.32 C ATOM 393 CE LYS A 26 22.466 23.754 1.738 1.00 41.34 C ATOM 394 NZ LYS A 26 21.666 24.623 2.645 1.00 70.33 N ATOM 0 H LYS A 26 19.658 21.944 -1.992 1.00 11.51 H new ATOM 0 HA LYS A 26 21.401 19.616 -1.450 1.00 34.13 H new ATOM 0 HB2 LYS A 26 19.883 21.255 0.614 1.00 11.44 H new ATOM 0 HB3 LYS A 26 20.920 19.878 0.929 1.00 11.44 H new ATOM 0 HG2 LYS A 26 22.893 21.115 0.246 1.00 12.24 H new ATOM 0 HG3 LYS A 26 21.920 22.452 -0.335 1.00 12.24 H new ATOM 0 HD2 LYS A 26 21.030 22.246 2.263 1.00 72.32 H new ATOM 0 HD3 LYS A 26 22.698 21.738 2.441 1.00 72.32 H new ATOM 0 HE2 LYS A 26 23.520 23.821 2.007 1.00 41.34 H new ATOM 0 HE3 LYS A 26 22.375 24.116 0.714 1.00 41.34 H new ATOM 0 HZ1 LYS A 26 22.002 25.604 2.571 1.00 70.33 H new ATOM 0 HZ2 LYS A 26 20.663 24.579 2.373 1.00 70.33 H new ATOM 0 HZ3 LYS A 26 21.773 24.293 3.625 1.00 70.33 H new ATOM 408 N LYS A 27 18.516 19.616 -2.297 1.00 45.34 N ATOM 409 CA LYS A 27 17.269 18.884 -2.489 1.00 42.20 C ATOM 410 C LYS A 27 17.361 17.963 -3.701 1.00 4.53 C ATOM 411 O LYS A 27 17.794 18.375 -4.776 1.00 22.25 O ATOM 412 CB LYS A 27 16.104 19.859 -2.664 1.00 13.41 C ATOM 413 CG LYS A 27 15.892 20.775 -1.471 1.00 20.13 C ATOM 414 CD LYS A 27 15.301 20.024 -0.290 1.00 55.32 C ATOM 415 CE LYS A 27 14.128 20.776 0.319 1.00 72.44 C ATOM 416 NZ LYS A 27 13.300 19.901 1.194 1.00 51.13 N ATOM 0 H LYS A 27 18.734 20.279 -3.041 1.00 45.34 H new ATOM 0 HA LYS A 27 17.094 18.274 -1.603 1.00 42.20 H new ATOM 0 HB2 LYS A 27 16.280 20.467 -3.551 1.00 13.41 H new ATOM 0 HB3 LYS A 27 15.190 19.292 -2.843 1.00 13.41 H new ATOM 0 HG2 LYS A 27 16.843 21.222 -1.180 1.00 20.13 H new ATOM 0 HG3 LYS A 27 15.229 21.593 -1.752 1.00 20.13 H new ATOM 0 HD2 LYS A 27 14.973 19.036 -0.613 1.00 55.32 H new ATOM 0 HD3 LYS A 27 16.070 19.872 0.468 1.00 55.32 H new ATOM 0 HE2 LYS A 27 14.500 21.621 0.899 1.00 72.44 H new ATOM 0 HE3 LYS A 27 13.506 21.185 -0.477 1.00 72.44 H new ATOM 0 HZ1 LYS A 27 12.511 20.452 1.589 1.00 51.13 H new ATOM 0 HZ2 LYS A 27 12.923 19.108 0.636 1.00 51.13 H new ATOM 0 HZ3 LYS A 27 13.886 19.531 1.969 1.00 51.13 H new ATOM 430 N LYS A 28 16.950 16.711 -3.519 1.00 33.34 N ATOM 431 CA LYS A 28 16.982 15.731 -4.598 1.00 21.51 C ATOM 432 C LYS A 28 15.572 15.388 -5.065 1.00 14.41 C ATOM 433 O LYS A 28 14.595 15.644 -4.360 1.00 34.23 O ATOM 434 CB LYS A 28 17.702 14.461 -4.139 1.00 10.10 C ATOM 435 CG LYS A 28 19.187 14.659 -3.893 1.00 64.02 C ATOM 436 CD LYS A 28 19.601 14.136 -2.527 1.00 52.42 C ATOM 437 CE LYS A 28 19.890 15.273 -1.559 1.00 73.23 C ATOM 438 NZ LYS A 28 18.713 15.584 -0.701 1.00 1.50 N ATOM 0 H LYS A 28 16.591 16.352 -2.634 1.00 33.34 H new ATOM 0 HA LYS A 28 17.526 16.168 -5.436 1.00 21.51 H new ATOM 0 HB2 LYS A 28 17.235 14.100 -3.222 1.00 10.10 H new ATOM 0 HB3 LYS A 28 17.567 13.685 -4.892 1.00 10.10 H new ATOM 0 HG2 LYS A 28 19.757 14.146 -4.668 1.00 64.02 H new ATOM 0 HG3 LYS A 28 19.431 15.719 -3.967 1.00 64.02 H new ATOM 0 HD2 LYS A 28 18.810 13.505 -2.123 1.00 52.42 H new ATOM 0 HD3 LYS A 28 20.487 13.510 -2.629 1.00 52.42 H new ATOM 0 HE2 LYS A 28 20.738 15.007 -0.929 1.00 73.23 H new ATOM 0 HE3 LYS A 28 20.176 16.163 -2.119 1.00 73.23 H new ATOM 0 HZ1 LYS A 28 18.697 16.602 -0.490 1.00 1.50 H new ATOM 0 HZ2 LYS A 28 17.840 15.320 -1.200 1.00 1.50 H new ATOM 0 HZ3 LYS A 28 18.780 15.048 0.187 1.00 1.50 H new ATOM 452 N TYR A 29 15.472 14.807 -6.256 1.00 40.42 N ATOM 453 CA TYR A 29 14.180 14.430 -6.816 1.00 11.12 C ATOM 454 C TYR A 29 13.491 13.385 -5.943 1.00 13.14 C ATOM 455 O TYR A 29 14.148 12.595 -5.266 1.00 61.32 O ATOM 456 CB TYR A 29 14.355 13.889 -8.236 1.00 4.21 C ATOM 457 CG TYR A 29 14.510 14.970 -9.281 1.00 24.10 C ATOM 458 CD1 TYR A 29 15.754 15.523 -9.558 1.00 44.11 C ATOM 459 CD2 TYR A 29 13.412 15.437 -9.993 1.00 11.13 C ATOM 460 CE1 TYR A 29 15.899 16.511 -10.512 1.00 23.42 C ATOM 461 CE2 TYR A 29 13.549 16.424 -10.950 1.00 12.04 C ATOM 462 CZ TYR A 29 14.795 16.958 -11.205 1.00 72.31 C ATOM 463 OH TYR A 29 14.936 17.942 -12.157 1.00 62.10 O ATOM 0 H TYR A 29 16.270 14.587 -6.852 1.00 40.42 H new ATOM 0 HA TYR A 29 13.553 15.321 -6.848 1.00 11.12 H new ATOM 0 HB2 TYR A 29 15.231 13.241 -8.263 1.00 4.21 H new ATOM 0 HB3 TYR A 29 13.493 13.271 -8.489 1.00 4.21 H new ATOM 0 HD1 TYR A 29 16.622 15.174 -9.018 1.00 44.11 H new ATOM 0 HD2 TYR A 29 12.435 15.021 -9.795 1.00 11.13 H new ATOM 0 HE1 TYR A 29 16.873 16.931 -10.714 1.00 23.42 H new ATOM 0 HE2 TYR A 29 12.686 16.775 -11.495 1.00 12.04 H new ATOM 0 HH TYR A 29 15.838 18.322 -12.104 1.00 62.10 H new ATOM 473 N ARG A 30 12.162 13.388 -5.965 1.00 23.53 N ATOM 474 CA ARG A 30 11.382 12.443 -5.176 1.00 62.22 C ATOM 475 C ARG A 30 10.137 11.996 -5.936 1.00 32.55 C ATOM 476 O ARG A 30 9.774 12.586 -6.955 1.00 33.53 O ATOM 477 CB ARG A 30 10.981 13.070 -3.840 1.00 12.14 C ATOM 478 CG ARG A 30 11.465 12.290 -2.630 1.00 45.43 C ATOM 479 CD ARG A 30 10.330 11.519 -1.974 1.00 43.52 C ATOM 480 NE ARG A 30 10.504 11.414 -0.527 1.00 4.24 N ATOM 481 CZ ARG A 30 11.394 10.616 0.051 1.00 25.45 C ATOM 482 NH1 ARG A 30 12.189 9.857 -0.692 1.00 41.42 N ATOM 483 NH2 ARG A 30 11.493 10.577 1.373 1.00 2.12 N ATOM 0 H ARG A 30 11.603 14.035 -6.521 1.00 23.53 H new ATOM 0 HA ARG A 30 12.003 11.568 -4.986 1.00 62.22 H new ATOM 0 HB2 ARG A 30 11.379 14.084 -3.791 1.00 12.14 H new ATOM 0 HB3 ARG A 30 9.895 13.151 -3.798 1.00 12.14 H new ATOM 0 HG2 ARG A 30 12.250 11.597 -2.933 1.00 45.43 H new ATOM 0 HG3 ARG A 30 11.907 12.975 -1.907 1.00 45.43 H new ATOM 0 HD2 ARG A 30 9.383 12.014 -2.190 1.00 43.52 H new ATOM 0 HD3 ARG A 30 10.273 10.520 -2.406 1.00 43.52 H new ATOM 0 HE ARG A 30 9.909 11.986 0.072 1.00 4.24 H new ATOM 0 HH11 ARG A 30 12.117 9.886 -1.709 1.00 41.42 H new ATOM 0 HH12 ARG A 30 12.872 9.245 -0.246 1.00 41.42 H new ATOM 0 HH21 ARG A 30 10.885 11.161 1.947 1.00 2.12 H new ATOM 0 HH22 ARG A 30 12.177 9.963 1.815 1.00 2.12 H new ATOM 497 N LEU A 31 9.486 10.952 -5.435 1.00 71.44 N ATOM 498 CA LEU A 31 8.281 10.427 -6.067 1.00 63.24 C ATOM 499 C LEU A 31 7.318 11.554 -6.427 1.00 65.53 C ATOM 500 O LEU A 31 6.668 11.520 -7.472 1.00 61.13 O ATOM 501 CB LEU A 31 7.590 9.427 -5.139 1.00 53.02 C ATOM 502 CG LEU A 31 7.734 7.952 -5.514 1.00 14.51 C ATOM 503 CD1 LEU A 31 9.112 7.436 -5.132 1.00 25.50 C ATOM 504 CD2 LEU A 31 6.649 7.123 -4.843 1.00 15.41 C ATOM 0 H LEU A 31 9.772 10.452 -4.593 1.00 71.44 H new ATOM 0 HA LEU A 31 8.574 9.919 -6.986 1.00 63.24 H new ATOM 0 HB2 LEU A 31 7.983 9.565 -4.132 1.00 53.02 H new ATOM 0 HB3 LEU A 31 6.528 9.670 -5.103 1.00 53.02 H new ATOM 0 HG LEU A 31 7.620 7.859 -6.594 1.00 14.51 H new ATOM 0 HD11 LEU A 31 9.196 6.384 -5.407 1.00 25.50 H new ATOM 0 HD12 LEU A 31 9.874 8.010 -5.658 1.00 25.50 H new ATOM 0 HD13 LEU A 31 9.255 7.543 -4.057 1.00 25.50 H new ATOM 0 HD21 LEU A 31 6.767 6.076 -5.121 1.00 15.41 H new ATOM 0 HD22 LEU A 31 6.732 7.223 -3.761 1.00 15.41 H new ATOM 0 HD23 LEU A 31 5.670 7.476 -5.166 1.00 15.41 H new ATOM 516 N LYS A 32 7.235 12.554 -5.555 1.00 34.43 N ATOM 517 CA LYS A 32 6.355 13.695 -5.782 1.00 61.22 C ATOM 518 C LYS A 32 6.590 14.298 -7.163 1.00 3.04 C ATOM 519 O LYS A 32 5.642 14.588 -7.894 1.00 45.11 O ATOM 520 CB LYS A 32 6.579 14.759 -4.705 1.00 2.51 C ATOM 521 CG LYS A 32 5.948 14.412 -3.367 1.00 3.23 C ATOM 522 CD LYS A 32 6.399 15.365 -2.273 1.00 22.42 C ATOM 523 CE LYS A 32 5.911 16.782 -2.533 1.00 4.01 C ATOM 524 NZ LYS A 32 5.017 17.268 -1.446 1.00 42.13 N ATOM 0 H LYS A 32 7.766 12.597 -4.685 1.00 34.43 H new ATOM 0 HA LYS A 32 5.325 13.343 -5.729 1.00 61.22 H new ATOM 0 HB2 LYS A 32 7.650 14.903 -4.566 1.00 2.51 H new ATOM 0 HB3 LYS A 32 6.172 15.708 -5.054 1.00 2.51 H new ATOM 0 HG2 LYS A 32 4.862 14.447 -3.456 1.00 3.23 H new ATOM 0 HG3 LYS A 32 6.213 13.391 -3.093 1.00 3.23 H new ATOM 0 HD2 LYS A 32 6.022 15.020 -1.310 1.00 22.42 H new ATOM 0 HD3 LYS A 32 7.487 15.359 -2.210 1.00 22.42 H new ATOM 0 HE2 LYS A 32 6.767 17.450 -2.625 1.00 4.01 H new ATOM 0 HE3 LYS A 32 5.378 16.814 -3.483 1.00 4.01 H new ATOM 0 HZ1 LYS A 32 4.706 18.237 -1.660 1.00 42.13 H new ATOM 0 HZ2 LYS A 32 4.187 16.645 -1.375 1.00 42.13 H new ATOM 0 HZ3 LYS A 32 5.533 17.262 -0.543 1.00 42.13 H new ATOM 538 N HIS A 33 7.859 14.482 -7.515 1.00 35.33 N ATOM 539 CA HIS A 33 8.219 15.049 -8.811 1.00 3.31 C ATOM 540 C HIS A 33 7.797 14.119 -9.946 1.00 75.35 C ATOM 541 O HIS A 33 7.414 14.643 -10.993 1.00 65.43 O ATOM 542 CB HIS A 33 9.725 15.304 -8.879 1.00 13.12 C ATOM 543 CG HIS A 33 10.213 16.285 -7.858 1.00 74.32 C ATOM 544 ND1 HIS A 33 11.097 15.950 -6.854 1.00 12.33 N ATOM 545 CD2 HIS A 33 9.936 17.599 -7.689 1.00 74.33 C ATOM 546 CE1 HIS A 33 11.341 17.015 -6.113 1.00 65.15 C ATOM 547 NE2 HIS A 33 10.649 18.030 -6.598 1.00 4.21 N ATOM 0 H HIS A 33 8.655 14.247 -6.922 1.00 35.33 H new ATOM 0 HA HIS A 33 7.692 15.996 -8.925 1.00 3.31 H new ATOM 0 HB2 HIS A 33 10.252 14.359 -8.744 1.00 13.12 H new ATOM 0 HB3 HIS A 33 9.979 15.671 -9.874 1.00 13.12 H new ATOM 0 HD2 HIS A 33 9.276 18.198 -8.299 1.00 74.33 H new ATOM 0 HE1 HIS A 33 11.996 17.050 -5.255 1.00 65.15 H new ATOM 0 HE2 HIS A 33 10.645 18.979 -6.223 1.00 4.21 H new ATOM 555 N ILE A 34 7.854 12.803 -9.773 1.00 54.51 N ATOM 556 CA ILE A 34 7.460 11.877 -10.827 1.00 54.21 C ATOM 557 C ILE A 34 5.974 12.006 -11.145 1.00 2.21 C ATOM 558 O ILE A 34 5.563 11.899 -12.301 1.00 64.14 O ATOM 559 CB ILE A 34 7.765 10.419 -10.438 1.00 25.15 C ATOM 560 CG1 ILE A 34 9.244 10.264 -10.076 1.00 3.34 C ATOM 561 CG2 ILE A 34 7.392 9.478 -11.574 1.00 13.24 C ATOM 562 CD1 ILE A 34 9.621 8.858 -9.665 1.00 63.04 C ATOM 0 H ILE A 34 8.169 12.354 -8.913 1.00 54.51 H new ATOM 0 HA ILE A 34 8.042 12.138 -11.711 1.00 54.21 H new ATOM 0 HB ILE A 34 7.166 10.159 -9.565 1.00 25.15 H new ATOM 0 HG12 ILE A 34 9.852 10.559 -10.931 1.00 3.34 H new ATOM 0 HG13 ILE A 34 9.484 10.949 -9.263 1.00 3.34 H new ATOM 0 HG21 ILE A 34 7.614 8.451 -11.283 1.00 13.24 H new ATOM 0 HG22 ILE A 34 6.328 9.572 -11.790 1.00 13.24 H new ATOM 0 HG23 ILE A 34 7.967 9.736 -12.463 1.00 13.24 H new ATOM 0 HD11 ILE A 34 10.683 8.822 -9.423 1.00 63.04 H new ATOM 0 HD12 ILE A 34 9.039 8.566 -8.791 1.00 63.04 H new ATOM 0 HD13 ILE A 34 9.413 8.171 -10.485 1.00 63.04 H new ATOM 574 N VAL A 35 5.171 12.238 -10.111 1.00 31.54 N ATOM 575 CA VAL A 35 3.730 12.385 -10.281 1.00 1.30 C ATOM 576 C VAL A 35 3.397 13.609 -11.126 1.00 22.24 C ATOM 577 O VAL A 35 2.668 13.515 -12.114 1.00 44.33 O ATOM 578 CB VAL A 35 3.014 12.504 -8.922 1.00 63.00 C ATOM 579 CG1 VAL A 35 1.519 12.699 -9.120 1.00 34.42 C ATOM 580 CG2 VAL A 35 3.291 11.278 -8.066 1.00 51.53 C ATOM 0 H VAL A 35 5.494 12.328 -9.148 1.00 31.54 H new ATOM 0 HA VAL A 35 3.379 11.488 -10.792 1.00 1.30 H new ATOM 0 HB VAL A 35 3.404 13.379 -8.401 1.00 63.00 H new ATOM 0 HG11 VAL A 35 1.031 12.781 -8.149 1.00 34.42 H new ATOM 0 HG12 VAL A 35 1.344 13.610 -9.692 1.00 34.42 H new ATOM 0 HG13 VAL A 35 1.109 11.846 -9.661 1.00 34.42 H new ATOM 0 HG21 VAL A 35 2.778 11.378 -7.110 1.00 51.53 H new ATOM 0 HG22 VAL A 35 2.930 10.387 -8.579 1.00 51.53 H new ATOM 0 HG23 VAL A 35 4.364 11.189 -7.894 1.00 51.53 H new ATOM 590 N TRP A 36 3.938 14.757 -10.734 1.00 52.24 N ATOM 591 CA TRP A 36 3.700 16.000 -11.457 1.00 53.14 C ATOM 592 C TRP A 36 3.936 15.816 -12.952 1.00 24.21 C ATOM 593 O TRP A 36 3.132 16.249 -13.775 1.00 34.03 O ATOM 594 CB TRP A 36 4.604 17.110 -10.918 1.00 3.13 C ATOM 595 CG TRP A 36 4.223 18.476 -11.401 1.00 14.35 C ATOM 596 CD1 TRP A 36 3.227 19.271 -10.909 1.00 63.22 C ATOM 597 CD2 TRP A 36 4.828 19.205 -12.475 1.00 51.21 C ATOM 598 NE1 TRP A 36 3.178 20.451 -11.611 1.00 52.35 N ATOM 599 CE2 TRP A 36 4.149 20.436 -12.576 1.00 5.10 C ATOM 600 CE3 TRP A 36 5.877 18.940 -13.358 1.00 51.41 C ATOM 601 CZ2 TRP A 36 4.488 21.396 -13.526 1.00 22.22 C ATOM 602 CZ3 TRP A 36 6.212 19.893 -14.301 1.00 0.22 C ATOM 603 CH2 TRP A 36 5.520 21.109 -14.379 1.00 74.11 C ATOM 0 H TRP A 36 4.544 14.852 -9.919 1.00 52.24 H new ATOM 0 HA TRP A 36 2.659 16.284 -11.306 1.00 53.14 H new ATOM 0 HB2 TRP A 36 4.573 17.096 -9.829 1.00 3.13 H new ATOM 0 HB3 TRP A 36 5.634 16.904 -11.210 1.00 3.13 H new ATOM 0 HD1 TRP A 36 2.574 19.010 -10.089 1.00 63.22 H new ATOM 0 HE1 TRP A 36 2.524 21.215 -11.441 1.00 52.35 H new ATOM 0 HE3 TRP A 36 6.417 18.006 -13.305 1.00 51.41 H new ATOM 0 HZ2 TRP A 36 3.956 22.334 -13.588 1.00 22.22 H new ATOM 0 HZ3 TRP A 36 7.021 19.697 -14.989 1.00 0.22 H new ATOM 0 HH2 TRP A 36 5.806 21.834 -15.127 1.00 74.11 H new ATOM 614 N ALA A 37 5.045 15.169 -13.295 1.00 5.23 N ATOM 615 CA ALA A 37 5.387 14.924 -14.691 1.00 34.44 C ATOM 616 C ALA A 37 4.313 14.088 -15.380 1.00 61.14 C ATOM 617 O ALA A 37 3.677 14.539 -16.332 1.00 73.54 O ATOM 618 CB ALA A 37 6.740 14.236 -14.791 1.00 32.51 C ATOM 0 H ALA A 37 5.722 14.805 -12.625 1.00 5.23 H new ATOM 0 HA ALA A 37 5.444 15.886 -15.200 1.00 34.44 H new ATOM 0 HB1 ALA A 37 6.982 14.060 -15.839 1.00 32.51 H new ATOM 0 HB2 ALA A 37 7.505 14.871 -14.344 1.00 32.51 H new ATOM 0 HB3 ALA A 37 6.704 13.284 -14.262 1.00 32.51 H new ATOM 624 N ALA A 38 4.118 12.867 -14.893 1.00 25.41 N ATOM 625 CA ALA A 38 3.122 11.968 -15.462 1.00 11.41 C ATOM 626 C ALA A 38 1.754 12.637 -15.529 1.00 30.10 C ATOM 627 O ALA A 38 0.971 12.381 -16.442 1.00 12.10 O ATOM 628 CB ALA A 38 3.044 10.684 -14.649 1.00 42.31 C ATOM 0 H ALA A 38 4.637 12.478 -14.106 1.00 25.41 H new ATOM 0 HA ALA A 38 3.428 11.723 -16.479 1.00 11.41 H new ATOM 0 HB1 ALA A 38 2.296 10.022 -15.085 1.00 42.31 H new ATOM 0 HB2 ALA A 38 4.015 10.189 -14.656 1.00 42.31 H new ATOM 0 HB3 ALA A 38 2.765 10.920 -13.622 1.00 42.31 H new ATOM 634 N ASN A 39 1.472 13.496 -14.554 1.00 11.25 N ATOM 635 CA ASN A 39 0.197 14.202 -14.502 1.00 15.03 C ATOM 636 C ASN A 39 0.091 15.218 -15.636 1.00 51.14 C ATOM 637 O ASN A 39 -0.844 15.176 -16.436 1.00 1.23 O ATOM 638 CB ASN A 39 0.034 14.907 -13.154 1.00 3.30 C ATOM 639 CG ASN A 39 -0.904 14.164 -12.223 1.00 41.12 C ATOM 640 OD1 ASN A 39 -0.466 13.500 -11.283 1.00 52.22 O ATOM 641 ND2 ASN A 39 -2.202 14.273 -12.480 1.00 2.24 N ATOM 0 H ASN A 39 2.109 13.720 -13.790 1.00 11.25 H new ATOM 0 HA ASN A 39 -0.601 13.468 -14.619 1.00 15.03 H new ATOM 0 HB2 ASN A 39 1.010 15.006 -12.679 1.00 3.30 H new ATOM 0 HB3 ASN A 39 -0.345 15.916 -13.318 1.00 3.30 H new ATOM 0 HD21 ASN A 39 -2.881 13.796 -11.887 1.00 2.24 H new ATOM 0 HD22 ASN A 39 -2.520 14.834 -13.270 1.00 2.24 H new ATOM 648 N LYS A 40 1.055 16.129 -15.698 1.00 20.20 N ATOM 649 CA LYS A 40 1.073 17.155 -16.734 1.00 33.34 C ATOM 650 C LYS A 40 0.890 16.536 -18.116 1.00 22.30 C ATOM 651 O LYS A 40 0.323 17.158 -19.016 1.00 4.10 O ATOM 652 CB LYS A 40 2.387 17.938 -16.683 1.00 3.34 C ATOM 653 CG LYS A 40 2.200 19.426 -16.442 1.00 24.23 C ATOM 654 CD LYS A 40 1.583 19.697 -15.082 1.00 74.25 C ATOM 655 CE LYS A 40 0.559 20.819 -15.148 1.00 72.15 C ATOM 656 NZ LYS A 40 -0.411 20.753 -14.019 1.00 35.52 N ATOM 0 H LYS A 40 1.835 16.178 -15.043 1.00 20.20 H new ATOM 0 HA LYS A 40 0.244 17.838 -16.549 1.00 33.34 H new ATOM 0 HB2 LYS A 40 3.015 17.527 -15.893 1.00 3.34 H new ATOM 0 HB3 LYS A 40 2.922 17.795 -17.622 1.00 3.34 H new ATOM 0 HG2 LYS A 40 3.164 19.931 -16.512 1.00 24.23 H new ATOM 0 HG3 LYS A 40 1.563 19.844 -17.221 1.00 24.23 H new ATOM 0 HD2 LYS A 40 1.107 18.790 -14.710 1.00 74.25 H new ATOM 0 HD3 LYS A 40 2.367 19.960 -14.372 1.00 74.25 H new ATOM 0 HE2 LYS A 40 1.072 21.780 -15.130 1.00 72.15 H new ATOM 0 HE3 LYS A 40 0.020 20.763 -16.094 1.00 72.15 H new ATOM 0 HZ1 LYS A 40 -1.092 21.535 -14.100 1.00 35.52 H new ATOM 0 HZ2 LYS A 40 -0.919 19.846 -14.051 1.00 35.52 H new ATOM 0 HZ3 LYS A 40 0.100 20.832 -13.117 1.00 35.52 H new ATOM 670 N LEU A 41 1.373 15.309 -18.278 1.00 75.41 N ATOM 671 CA LEU A 41 1.261 14.606 -19.551 1.00 11.11 C ATOM 672 C LEU A 41 -0.198 14.316 -19.888 1.00 51.45 C ATOM 673 O LEU A 41 -0.746 14.865 -20.843 1.00 33.21 O ATOM 674 CB LEU A 41 2.055 13.298 -19.505 1.00 34.31 C ATOM 675 CG LEU A 41 3.577 13.438 -19.486 1.00 41.13 C ATOM 676 CD1 LEU A 41 4.234 12.085 -19.265 1.00 42.31 C ATOM 677 CD2 LEU A 41 4.071 14.067 -20.780 1.00 53.20 C ATOM 0 H LEU A 41 1.846 14.781 -17.544 1.00 75.41 H new ATOM 0 HA LEU A 41 1.673 15.248 -20.329 1.00 11.11 H new ATOM 0 HB2 LEU A 41 1.750 12.742 -18.618 1.00 34.31 H new ATOM 0 HB3 LEU A 41 1.776 12.696 -20.370 1.00 34.31 H new ATOM 0 HG LEU A 41 3.852 14.093 -18.659 1.00 41.13 H new ATOM 0 HD11 LEU A 41 5.317 12.204 -19.254 1.00 42.31 H new ATOM 0 HD12 LEU A 41 3.905 11.672 -18.311 1.00 42.31 H new ATOM 0 HD13 LEU A 41 3.951 11.407 -20.071 1.00 42.31 H new ATOM 0 HD21 LEU A 41 5.157 14.159 -20.749 1.00 53.20 H new ATOM 0 HD22 LEU A 41 3.784 13.438 -21.623 1.00 53.20 H new ATOM 0 HD23 LEU A 41 3.626 15.055 -20.897 1.00 53.20 H new ATOM 689 N ASP A 42 -0.822 13.453 -19.094 1.00 4.42 N ATOM 690 CA ASP A 42 -2.220 13.092 -19.306 1.00 62.22 C ATOM 691 C ASP A 42 -3.074 14.337 -19.530 1.00 42.03 C ATOM 692 O ASP A 42 -3.941 14.357 -20.404 1.00 65.42 O ATOM 693 CB ASP A 42 -2.752 12.303 -18.109 1.00 1.31 C ATOM 694 CG ASP A 42 -2.694 10.804 -18.332 1.00 60.12 C ATOM 695 OD1 ASP A 42 -1.990 10.371 -19.269 1.00 50.40 O ATOM 696 OD2 ASP A 42 -3.352 10.065 -17.571 1.00 52.42 O ATOM 0 H ASP A 42 -0.383 12.990 -18.298 1.00 4.42 H new ATOM 0 HA ASP A 42 -2.278 12.468 -20.198 1.00 62.22 H new ATOM 0 HB2 ASP A 42 -2.172 12.558 -17.222 1.00 1.31 H new ATOM 0 HB3 ASP A 42 -3.782 12.599 -17.912 1.00 1.31 H new ATOM 701 N ARG A 43 -2.823 15.371 -18.734 1.00 3.24 N ATOM 702 CA ARG A 43 -3.570 16.618 -18.844 1.00 15.02 C ATOM 703 C ARG A 43 -3.333 17.276 -20.201 1.00 63.23 C ATOM 704 O ARG A 43 -4.259 17.437 -20.995 1.00 63.12 O ATOM 705 CB ARG A 43 -3.170 17.578 -17.723 1.00 52.22 C ATOM 706 CG ARG A 43 -4.352 18.127 -16.941 1.00 74.12 C ATOM 707 CD ARG A 43 -5.295 18.916 -17.837 1.00 24.10 C ATOM 708 NE ARG A 43 -6.289 19.657 -17.067 1.00 72.34 N ATOM 709 CZ ARG A 43 -7.307 20.312 -17.617 1.00 43.31 C ATOM 710 NH1 ARG A 43 -7.463 20.314 -18.934 1.00 41.13 N ATOM 711 NH2 ARG A 43 -8.170 20.964 -16.850 1.00 51.44 N ATOM 0 H ARG A 43 -2.108 15.370 -18.006 1.00 3.24 H new ATOM 0 HA ARG A 43 -4.631 16.386 -18.752 1.00 15.02 H new ATOM 0 HB2 ARG A 43 -2.499 17.062 -17.036 1.00 52.22 H new ATOM 0 HB3 ARG A 43 -2.610 18.410 -18.151 1.00 52.22 H new ATOM 0 HG2 ARG A 43 -4.895 17.305 -16.475 1.00 74.12 H new ATOM 0 HG3 ARG A 43 -3.991 18.768 -16.137 1.00 74.12 H new ATOM 0 HD2 ARG A 43 -4.718 19.610 -18.448 1.00 24.10 H new ATOM 0 HD3 ARG A 43 -5.801 18.234 -18.521 1.00 24.10 H new ATOM 0 HE ARG A 43 -6.198 19.673 -16.051 1.00 72.34 H new ATOM 0 HH11 ARG A 43 -6.801 19.813 -19.527 1.00 41.13 H new ATOM 0 HH12 ARG A 43 -8.245 20.817 -19.354 1.00 41.13 H new ATOM 0 HH21 ARG A 43 -8.053 20.964 -15.837 1.00 51.44 H new ATOM 0 HH22 ARG A 43 -8.950 21.466 -17.273 1.00 51.44 H new ATOM 725 N PHE A 44 -2.085 17.656 -20.458 1.00 55.55 N ATOM 726 CA PHE A 44 -1.726 18.298 -21.716 1.00 23.23 C ATOM 727 C PHE A 44 -2.274 17.513 -22.904 1.00 41.43 C ATOM 728 O PHE A 44 -2.857 18.083 -23.825 1.00 53.04 O ATOM 729 CB PHE A 44 -0.206 18.425 -21.833 1.00 41.22 C ATOM 730 CG PHE A 44 0.348 19.644 -21.152 1.00 75.33 C ATOM 731 CD1 PHE A 44 -0.184 20.898 -21.407 1.00 20.22 C ATOM 732 CD2 PHE A 44 1.399 19.536 -20.256 1.00 21.02 C ATOM 733 CE1 PHE A 44 0.324 22.022 -20.783 1.00 5.12 C ATOM 734 CE2 PHE A 44 1.911 20.656 -19.629 1.00 65.44 C ATOM 735 CZ PHE A 44 1.373 21.900 -19.891 1.00 40.21 C ATOM 0 H PHE A 44 -1.306 17.530 -19.811 1.00 55.55 H new ATOM 0 HA PHE A 44 -2.169 19.294 -21.725 1.00 23.23 H new ATOM 0 HB2 PHE A 44 0.259 17.537 -21.405 1.00 41.22 H new ATOM 0 HB3 PHE A 44 0.068 18.452 -22.888 1.00 41.22 H new ATOM 0 HD1 PHE A 44 -1.005 20.998 -22.101 1.00 20.22 H new ATOM 0 HD2 PHE A 44 1.823 18.565 -20.045 1.00 21.02 H new ATOM 0 HE1 PHE A 44 -0.098 22.994 -20.992 1.00 5.12 H new ATOM 0 HE2 PHE A 44 2.732 20.558 -18.934 1.00 65.44 H new ATOM 0 HZ PHE A 44 1.771 22.776 -19.400 1.00 40.21 H new ATOM 745 N GLY A 45 -2.082 16.197 -22.875 1.00 71.22 N ATOM 746 CA GLY A 45 -2.562 15.353 -23.955 1.00 63.25 C ATOM 747 C GLY A 45 -1.710 14.114 -24.144 1.00 53.43 C ATOM 748 O GLY A 45 -2.125 13.162 -24.807 1.00 53.11 O ATOM 0 H GLY A 45 -1.603 15.701 -22.124 1.00 71.22 H new ATOM 0 HA2 GLY A 45 -3.590 15.055 -23.750 1.00 63.25 H new ATOM 0 HA3 GLY A 45 -2.575 15.926 -24.882 1.00 63.25 H new ATOM 752 N LEU A 46 -0.516 14.123 -23.562 1.00 55.14 N ATOM 753 CA LEU A 46 0.398 12.992 -23.671 1.00 12.24 C ATOM 754 C LEU A 46 0.067 11.923 -22.633 1.00 21.21 C ATOM 755 O LEU A 46 -0.540 12.212 -21.603 1.00 74.10 O ATOM 756 CB LEU A 46 1.843 13.459 -23.495 1.00 31.55 C ATOM 757 CG LEU A 46 2.569 13.888 -24.771 1.00 10.24 C ATOM 758 CD1 LEU A 46 3.398 15.138 -24.519 1.00 71.14 C ATOM 759 CD2 LEU A 46 3.448 12.759 -25.290 1.00 33.33 C ATOM 0 H LEU A 46 -0.158 14.902 -23.009 1.00 55.14 H new ATOM 0 HA LEU A 46 0.282 12.557 -24.664 1.00 12.24 H new ATOM 0 HB2 LEU A 46 1.851 14.296 -22.797 1.00 31.55 H new ATOM 0 HB3 LEU A 46 2.411 12.652 -23.031 1.00 31.55 H new ATOM 0 HG LEU A 46 1.822 14.119 -25.531 1.00 10.24 H new ATOM 0 HD11 LEU A 46 3.907 15.428 -25.438 1.00 71.14 H new ATOM 0 HD12 LEU A 46 2.745 15.948 -24.194 1.00 71.14 H new ATOM 0 HD13 LEU A 46 4.137 14.935 -23.744 1.00 71.14 H new ATOM 0 HD21 LEU A 46 3.957 13.082 -26.198 1.00 33.33 H new ATOM 0 HD22 LEU A 46 4.188 12.497 -24.534 1.00 33.33 H new ATOM 0 HD23 LEU A 46 2.830 11.889 -25.510 1.00 33.33 H new ATOM 771 N ALA A 47 0.473 10.690 -22.912 1.00 4.44 N ATOM 772 CA ALA A 47 0.224 9.578 -22.002 1.00 34.41 C ATOM 773 C ALA A 47 1.469 9.250 -21.184 1.00 54.22 C ATOM 774 O ALA A 47 2.540 9.807 -21.418 1.00 62.44 O ATOM 775 CB ALA A 47 -0.239 8.354 -22.777 1.00 34.32 C ATOM 0 H ALA A 47 0.976 10.435 -23.762 1.00 4.44 H new ATOM 0 HA ALA A 47 -0.565 9.875 -21.311 1.00 34.41 H new ATOM 0 HB1 ALA A 47 -0.421 7.532 -22.084 1.00 34.32 H new ATOM 0 HB2 ALA A 47 -1.160 8.589 -23.312 1.00 34.32 H new ATOM 0 HB3 ALA A 47 0.531 8.063 -23.491 1.00 34.32 H new ATOM 826 N LEU A 51 7.250 7.005 -20.040 1.00 21.34 N ATOM 827 CA LEU A 51 7.922 7.132 -18.752 1.00 4.22 C ATOM 828 C LEU A 51 8.584 5.817 -18.352 1.00 2.33 C ATOM 829 O LEU A 51 9.647 5.811 -17.733 1.00 45.42 O ATOM 830 CB LEU A 51 6.925 7.562 -17.675 1.00 21.41 C ATOM 831 CG LEU A 51 6.469 9.021 -17.727 1.00 20.01 C ATOM 832 CD1 LEU A 51 5.290 9.245 -16.793 1.00 51.14 C ATOM 833 CD2 LEU A 51 7.619 9.952 -17.372 1.00 72.54 C ATOM 0 HA LEU A 51 8.696 7.894 -18.847 1.00 4.22 H new ATOM 0 HB2 LEU A 51 6.044 6.924 -17.748 1.00 21.41 H new ATOM 0 HB3 LEU A 51 7.373 7.377 -16.699 1.00 21.41 H new ATOM 0 HG LEU A 51 6.148 9.246 -18.744 1.00 20.01 H new ATOM 0 HD11 LEU A 51 4.979 10.289 -16.843 1.00 51.14 H new ATOM 0 HD12 LEU A 51 4.461 8.605 -17.094 1.00 51.14 H new ATOM 0 HD13 LEU A 51 5.584 9.003 -15.772 1.00 51.14 H new ATOM 0 HD21 LEU A 51 7.276 10.986 -17.414 1.00 72.54 H new ATOM 0 HD22 LEU A 51 7.972 9.727 -16.365 1.00 72.54 H new ATOM 0 HD23 LEU A 51 8.434 9.811 -18.082 1.00 72.54 H new ATOM 845 N GLU A 52 7.949 4.707 -18.713 1.00 4.45 N ATOM 846 CA GLU A 52 8.478 3.386 -18.394 1.00 73.02 C ATOM 847 C GLU A 52 9.651 3.034 -19.304 1.00 62.32 C ATOM 848 O GLU A 52 10.716 2.633 -18.835 1.00 62.12 O ATOM 849 CB GLU A 52 7.381 2.328 -18.525 1.00 44.21 C ATOM 850 CG GLU A 52 6.017 2.802 -18.052 1.00 23.14 C ATOM 851 CD GLU A 52 5.133 1.663 -17.584 1.00 53.13 C ATOM 852 OE1 GLU A 52 5.341 0.522 -18.047 1.00 63.21 O ATOM 853 OE2 GLU A 52 4.232 1.912 -16.755 1.00 24.35 O ATOM 0 H GLU A 52 7.068 4.696 -19.226 1.00 4.45 H new ATOM 0 HA GLU A 52 8.834 3.405 -17.364 1.00 73.02 H new ATOM 0 HB2 GLU A 52 7.308 2.021 -19.568 1.00 44.21 H new ATOM 0 HB3 GLU A 52 7.668 1.446 -17.952 1.00 44.21 H new ATOM 0 HG2 GLU A 52 6.147 3.514 -17.237 1.00 23.14 H new ATOM 0 HG3 GLU A 52 5.520 3.333 -18.864 1.00 23.14 H new ATOM 860 N SER A 53 9.447 3.188 -20.609 1.00 44.33 N ATOM 861 CA SER A 53 10.485 2.882 -21.586 1.00 35.31 C ATOM 862 C SER A 53 11.284 4.133 -21.938 1.00 1.01 C ATOM 863 O SER A 53 10.717 5.196 -22.191 1.00 11.23 O ATOM 864 CB SER A 53 9.864 2.287 -22.851 1.00 4.03 C ATOM 865 OG SER A 53 9.819 3.242 -23.896 1.00 71.05 O ATOM 0 H SER A 53 8.573 3.523 -21.013 1.00 44.33 H new ATOM 0 HA SER A 53 11.162 2.151 -21.144 1.00 35.31 H new ATOM 0 HB2 SER A 53 10.443 1.421 -23.171 1.00 4.03 H new ATOM 0 HB3 SER A 53 8.856 1.934 -22.633 1.00 4.03 H new ATOM 0 HG SER A 53 10.632 3.171 -24.439 1.00 71.05 H new ATOM 871 N LYS A 54 12.606 3.998 -21.953 1.00 35.22 N ATOM 872 CA LYS A 54 13.486 5.116 -22.275 1.00 53.30 C ATOM 873 C LYS A 54 13.204 5.643 -23.678 1.00 54.30 C ATOM 874 O LYS A 54 13.292 6.845 -23.927 1.00 12.54 O ATOM 875 CB LYS A 54 14.951 4.686 -22.165 1.00 54.12 C ATOM 876 CG LYS A 54 15.390 3.735 -23.265 1.00 3.12 C ATOM 877 CD LYS A 54 16.819 3.264 -23.057 1.00 43.55 C ATOM 878 CE LYS A 54 16.862 1.877 -22.432 1.00 60.12 C ATOM 879 NZ LYS A 54 16.836 0.803 -23.463 1.00 43.20 N ATOM 0 H LYS A 54 13.092 3.125 -21.746 1.00 35.22 H new ATOM 0 HA LYS A 54 13.294 5.916 -21.560 1.00 53.30 H new ATOM 0 HB2 LYS A 54 15.584 5.573 -22.189 1.00 54.12 H new ATOM 0 HB3 LYS A 54 15.109 4.208 -21.198 1.00 54.12 H new ATOM 0 HG2 LYS A 54 14.722 2.874 -23.291 1.00 3.12 H new ATOM 0 HG3 LYS A 54 15.307 4.232 -24.232 1.00 3.12 H new ATOM 0 HD2 LYS A 54 17.342 3.250 -24.013 1.00 43.55 H new ATOM 0 HD3 LYS A 54 17.347 3.970 -22.416 1.00 43.55 H new ATOM 0 HE2 LYS A 54 17.764 1.779 -21.828 1.00 60.12 H new ATOM 0 HE3 LYS A 54 16.013 1.755 -21.759 1.00 60.12 H new ATOM 0 HZ1 LYS A 54 16.867 -0.126 -22.997 1.00 43.20 H new ATOM 0 HZ2 LYS A 54 15.963 0.881 -24.023 1.00 43.20 H new ATOM 0 HZ3 LYS A 54 17.660 0.903 -24.090 1.00 43.20 H new ATOM 893 N GLU A 55 12.865 4.737 -24.589 1.00 14.33 N ATOM 894 CA GLU A 55 12.569 5.112 -25.967 1.00 74.43 C ATOM 895 C GLU A 55 11.388 6.078 -26.026 1.00 63.54 C ATOM 896 O GLU A 55 11.366 6.999 -26.842 1.00 1.43 O ATOM 897 CB GLU A 55 12.266 3.868 -26.804 1.00 20.35 C ATOM 898 CG GLU A 55 12.314 4.118 -28.303 1.00 4.53 C ATOM 899 CD GLU A 55 10.983 3.857 -28.981 1.00 71.24 C ATOM 900 OE1 GLU A 55 9.937 4.167 -28.372 1.00 11.14 O ATOM 901 OE2 GLU A 55 10.987 3.344 -30.118 1.00 21.13 O ATOM 0 H GLU A 55 12.788 3.738 -24.398 1.00 14.33 H new ATOM 0 HA GLU A 55 13.447 5.612 -26.377 1.00 74.43 H new ATOM 0 HB2 GLU A 55 12.982 3.086 -26.551 1.00 20.35 H new ATOM 0 HB3 GLU A 55 11.278 3.493 -26.538 1.00 20.35 H new ATOM 0 HG2 GLU A 55 12.615 5.150 -28.486 1.00 4.53 H new ATOM 0 HG3 GLU A 55 13.076 3.480 -28.750 1.00 4.53 H new ATOM 908 N GLY A 56 10.409 5.860 -25.154 1.00 33.54 N ATOM 909 CA GLY A 56 9.238 6.718 -25.124 1.00 64.43 C ATOM 910 C GLY A 56 9.557 8.116 -24.631 1.00 1.20 C ATOM 911 O GLY A 56 9.083 9.103 -25.194 1.00 13.34 O ATOM 0 H GLY A 56 10.405 5.105 -24.468 1.00 33.54 H new ATOM 0 HA2 GLY A 56 8.809 6.778 -26.124 1.00 64.43 H new ATOM 0 HA3 GLY A 56 8.481 6.272 -24.479 1.00 64.43 H new ATOM 915 N CYS A 57 10.361 8.201 -23.577 1.00 40.02 N ATOM 916 CA CYS A 57 10.740 9.489 -23.006 1.00 22.33 C ATOM 917 C CYS A 57 11.348 10.397 -24.070 1.00 22.45 C ATOM 918 O CYS A 57 11.301 11.622 -23.956 1.00 44.11 O ATOM 919 CB CYS A 57 11.732 9.291 -21.860 1.00 5.11 C ATOM 920 SG CYS A 57 11.185 8.108 -20.607 1.00 14.22 S ATOM 0 H CYS A 57 10.763 7.394 -23.100 1.00 40.02 H new ATOM 0 HA CYS A 57 9.840 9.966 -22.618 1.00 22.33 H new ATOM 0 HB2 CYS A 57 12.684 8.954 -22.271 1.00 5.11 H new ATOM 0 HB3 CYS A 57 11.914 10.253 -21.381 1.00 5.11 H new ATOM 0 HG CYS A 57 11.003 6.945 -21.158 1.00 14.22 H new ATOM 926 N GLN A 58 11.921 9.788 -25.103 1.00 4.35 N ATOM 927 CA GLN A 58 12.541 10.541 -26.187 1.00 33.31 C ATOM 928 C GLN A 58 11.486 11.239 -27.038 1.00 32.45 C ATOM 929 O GLN A 58 11.744 12.287 -27.632 1.00 41.43 O ATOM 930 CB GLN A 58 13.389 9.615 -27.061 1.00 55.00 C ATOM 931 CG GLN A 58 14.747 10.194 -27.422 1.00 61.12 C ATOM 932 CD GLN A 58 15.145 9.900 -28.856 1.00 53.44 C ATOM 933 OE1 GLN A 58 15.074 8.758 -29.309 1.00 42.50 O ATOM 934 NE2 GLN A 58 15.567 10.932 -29.576 1.00 15.34 N ATOM 0 H GLN A 58 11.969 8.775 -25.212 1.00 4.35 H new ATOM 0 HA GLN A 58 13.185 11.301 -25.745 1.00 33.31 H new ATOM 0 HB2 GLN A 58 13.534 8.669 -26.539 1.00 55.00 H new ATOM 0 HB3 GLN A 58 12.843 9.393 -27.978 1.00 55.00 H new ATOM 0 HG2 GLN A 58 14.730 11.273 -27.268 1.00 61.12 H new ATOM 0 HG3 GLN A 58 15.502 9.787 -26.749 1.00 61.12 H new ATOM 0 HE21 GLN A 58 15.609 11.862 -29.159 1.00 15.34 H new ATOM 0 HE22 GLN A 58 15.849 10.795 -30.547 1.00 15.34 H new ATOM 943 N LYS A 59 10.295 10.652 -27.095 1.00 75.42 N ATOM 944 CA LYS A 59 9.199 11.217 -27.873 1.00 40.22 C ATOM 945 C LYS A 59 8.667 12.489 -27.219 1.00 11.13 C ATOM 946 O LYS A 59 7.949 13.267 -27.848 1.00 12.01 O ATOM 947 CB LYS A 59 8.069 10.195 -28.018 1.00 44.23 C ATOM 948 CG LYS A 59 8.054 9.494 -29.365 1.00 11.33 C ATOM 949 CD LYS A 59 6.638 9.152 -29.800 1.00 71.04 C ATOM 950 CE LYS A 59 6.464 7.656 -30.005 1.00 64.12 C ATOM 951 NZ LYS A 59 5.063 7.305 -30.367 1.00 2.24 N ATOM 0 H LYS A 59 10.064 9.784 -26.611 1.00 75.42 H new ATOM 0 HA LYS A 59 9.581 11.470 -28.862 1.00 40.22 H new ATOM 0 HB2 LYS A 59 8.162 9.448 -27.230 1.00 44.23 H new ATOM 0 HB3 LYS A 59 7.114 10.698 -27.869 1.00 44.23 H new ATOM 0 HG2 LYS A 59 8.521 10.133 -30.114 1.00 11.33 H new ATOM 0 HG3 LYS A 59 8.648 8.582 -29.308 1.00 11.33 H new ATOM 0 HD2 LYS A 59 5.931 9.502 -29.048 1.00 71.04 H new ATOM 0 HD3 LYS A 59 6.404 9.677 -30.726 1.00 71.04 H new ATOM 0 HE2 LYS A 59 7.138 7.316 -30.791 1.00 64.12 H new ATOM 0 HE3 LYS A 59 6.746 7.129 -29.093 1.00 64.12 H new ATOM 0 HZ1 LYS A 59 4.986 6.276 -30.498 1.00 2.24 H new ATOM 0 HZ2 LYS A 59 4.422 7.606 -29.605 1.00 2.24 H new ATOM 0 HZ3 LYS A 59 4.802 7.787 -31.251 1.00 2.24 H new ATOM 965 N ILE A 60 9.024 12.694 -25.955 1.00 24.14 N ATOM 966 CA ILE A 60 8.584 13.872 -25.219 1.00 50.01 C ATOM 967 C ILE A 60 9.567 15.025 -25.389 1.00 24.22 C ATOM 968 O ILE A 60 9.178 16.142 -25.731 1.00 34.31 O ATOM 969 CB ILE A 60 8.420 13.568 -23.718 1.00 32.44 C ATOM 970 CG1 ILE A 60 7.649 12.261 -23.521 1.00 24.33 C ATOM 971 CG2 ILE A 60 7.709 14.718 -23.020 1.00 33.34 C ATOM 972 CD1 ILE A 60 7.493 11.865 -22.069 1.00 62.41 C ATOM 0 H ILE A 60 9.617 12.059 -25.420 1.00 24.14 H new ATOM 0 HA ILE A 60 7.617 14.159 -25.631 1.00 50.01 H new ATOM 0 HB ILE A 60 9.409 13.455 -23.275 1.00 32.44 H new ATOM 0 HG12 ILE A 60 6.661 12.360 -23.970 1.00 24.33 H new ATOM 0 HG13 ILE A 60 8.163 11.461 -24.054 1.00 24.33 H new ATOM 0 HG21 ILE A 60 7.600 14.489 -21.960 1.00 33.34 H new ATOM 0 HG22 ILE A 60 8.293 15.631 -23.136 1.00 33.34 H new ATOM 0 HG23 ILE A 60 6.723 14.859 -23.464 1.00 33.34 H new ATOM 0 HD11 ILE A 60 6.937 10.930 -22.005 1.00 62.41 H new ATOM 0 HD12 ILE A 60 8.477 11.734 -21.620 1.00 62.41 H new ATOM 0 HD13 ILE A 60 6.952 12.646 -21.535 1.00 62.41 H new ATOM 984 N LEU A 61 10.844 14.747 -25.149 1.00 50.20 N ATOM 985 CA LEU A 61 11.885 15.760 -25.277 1.00 33.41 C ATOM 986 C LEU A 61 11.922 16.328 -26.693 1.00 1.21 C ATOM 987 O LEU A 61 12.279 17.488 -26.900 1.00 11.20 O ATOM 988 CB LEU A 61 13.248 15.167 -24.918 1.00 72.33 C ATOM 989 CG LEU A 61 13.384 14.608 -23.501 1.00 40.35 C ATOM 990 CD1 LEU A 61 14.638 13.756 -23.382 1.00 5.11 C ATOM 991 CD2 LEU A 61 13.406 15.737 -22.481 1.00 11.23 C ATOM 0 H LEU A 61 11.183 13.828 -24.865 1.00 50.20 H new ATOM 0 HA LEU A 61 11.655 16.571 -24.586 1.00 33.41 H new ATOM 0 HB2 LEU A 61 13.472 14.368 -25.625 1.00 72.33 H new ATOM 0 HB3 LEU A 61 14.006 15.938 -25.057 1.00 72.33 H new ATOM 0 HG LEU A 61 12.519 13.977 -23.296 1.00 40.35 H new ATOM 0 HD11 LEU A 61 14.718 13.367 -22.367 1.00 5.11 H new ATOM 0 HD12 LEU A 61 14.582 12.926 -24.086 1.00 5.11 H new ATOM 0 HD13 LEU A 61 15.514 14.364 -23.608 1.00 5.11 H new ATOM 0 HD21 LEU A 61 13.503 15.320 -21.479 1.00 11.23 H new ATOM 0 HD22 LEU A 61 14.251 16.394 -22.684 1.00 11.23 H new ATOM 0 HD23 LEU A 61 12.479 16.307 -22.549 1.00 11.23 H new ATOM 1003 N THR A 62 11.548 15.502 -27.666 1.00 51.31 N ATOM 1004 CA THR A 62 11.537 15.921 -29.061 1.00 15.24 C ATOM 1005 C THR A 62 10.452 16.961 -29.315 1.00 35.40 C ATOM 1006 O THR A 62 10.650 17.905 -30.080 1.00 75.21 O ATOM 1007 CB THR A 62 11.314 14.723 -30.005 1.00 32.21 C ATOM 1008 OG1 THR A 62 11.814 15.031 -31.312 1.00 14.53 O ATOM 1009 CG2 THR A 62 9.837 14.369 -30.091 1.00 71.15 C ATOM 0 H THR A 62 11.249 14.539 -27.512 1.00 51.31 H new ATOM 0 HA THR A 62 12.513 16.361 -29.266 1.00 15.24 H new ATOM 0 HB THR A 62 11.853 13.865 -29.603 1.00 32.21 H new ATOM 0 HG1 THR A 62 11.670 14.265 -31.906 1.00 14.53 H new ATOM 0 HG21 THR A 62 9.705 13.521 -30.763 1.00 71.15 H new ATOM 0 HG22 THR A 62 9.467 14.108 -29.100 1.00 71.15 H new ATOM 0 HG23 THR A 62 9.279 15.224 -30.472 1.00 71.15 H new ATOM 1017 N VAL A 63 9.305 16.784 -28.667 1.00 3.41 N ATOM 1018 CA VAL A 63 8.189 17.709 -28.821 1.00 40.12 C ATOM 1019 C VAL A 63 8.460 19.022 -28.095 1.00 20.13 C ATOM 1020 O VAL A 63 8.273 20.103 -28.655 1.00 75.42 O ATOM 1021 CB VAL A 63 6.878 17.102 -28.287 1.00 40.22 C ATOM 1022 CG1 VAL A 63 5.734 18.095 -28.423 1.00 3.03 C ATOM 1023 CG2 VAL A 63 6.558 15.804 -29.015 1.00 53.20 C ATOM 0 H VAL A 63 9.124 16.008 -28.030 1.00 3.41 H new ATOM 0 HA VAL A 63 8.083 17.902 -29.889 1.00 40.12 H new ATOM 0 HB VAL A 63 7.007 16.877 -27.228 1.00 40.22 H new ATOM 0 HG11 VAL A 63 4.817 17.648 -28.040 1.00 3.03 H new ATOM 0 HG12 VAL A 63 5.964 18.995 -27.853 1.00 3.03 H new ATOM 0 HG13 VAL A 63 5.601 18.355 -29.473 1.00 3.03 H new ATOM 0 HG21 VAL A 63 5.629 15.388 -28.626 1.00 53.20 H new ATOM 0 HG22 VAL A 63 6.448 16.002 -30.081 1.00 53.20 H new ATOM 0 HG23 VAL A 63 7.368 15.091 -28.860 1.00 53.20 H new ATOM 1033 N LEU A 64 8.901 18.921 -26.847 1.00 64.42 N ATOM 1034 CA LEU A 64 9.200 20.102 -26.043 1.00 54.24 C ATOM 1035 C LEU A 64 10.505 20.751 -26.492 1.00 52.24 C ATOM 1036 O LEU A 64 10.781 21.905 -26.163 1.00 0.33 O ATOM 1037 CB LEU A 64 9.286 19.726 -24.562 1.00 12.05 C ATOM 1038 CG LEU A 64 8.137 18.877 -24.017 1.00 4.32 C ATOM 1039 CD1 LEU A 64 8.647 17.898 -22.971 1.00 24.53 C ATOM 1040 CD2 LEU A 64 7.047 19.764 -23.433 1.00 64.33 C ATOM 0 H LEU A 64 9.060 18.034 -26.369 1.00 64.42 H new ATOM 0 HA LEU A 64 8.392 20.821 -26.183 1.00 54.24 H new ATOM 0 HB2 LEU A 64 10.219 19.187 -24.398 1.00 12.05 H new ATOM 0 HB3 LEU A 64 9.342 20.644 -23.977 1.00 12.05 H new ATOM 0 HG LEU A 64 7.710 18.307 -24.842 1.00 4.32 H new ATOM 0 HD11 LEU A 64 7.816 17.302 -22.594 1.00 24.53 H new ATOM 0 HD12 LEU A 64 9.391 17.240 -23.421 1.00 24.53 H new ATOM 0 HD13 LEU A 64 9.101 18.449 -22.147 1.00 24.53 H new ATOM 0 HD21 LEU A 64 6.238 19.142 -23.050 1.00 64.33 H new ATOM 0 HD22 LEU A 64 7.461 20.362 -22.621 1.00 64.33 H new ATOM 0 HD23 LEU A 64 6.661 20.425 -24.209 1.00 64.33 H new ATOM 1052 N ASP A 65 11.303 20.002 -27.245 1.00 32.45 N ATOM 1053 CA ASP A 65 12.578 20.507 -27.742 1.00 41.41 C ATOM 1054 C ASP A 65 12.397 21.850 -28.440 1.00 35.42 C ATOM 1055 O ASP A 65 12.922 22.877 -28.009 1.00 12.02 O ATOM 1056 CB ASP A 65 13.208 19.499 -28.705 1.00 22.12 C ATOM 1057 CG ASP A 65 14.441 18.836 -28.124 1.00 0.41 C ATOM 1058 OD1 ASP A 65 15.188 19.513 -27.387 1.00 51.42 O ATOM 1059 OD2 ASP A 65 14.659 17.638 -28.405 1.00 13.32 O ATOM 0 H ASP A 65 11.090 19.044 -27.524 1.00 32.45 H new ATOM 0 HA ASP A 65 13.242 20.649 -26.889 1.00 41.41 H new ATOM 0 HB2 ASP A 65 12.473 18.735 -28.958 1.00 22.12 H new ATOM 0 HB3 ASP A 65 13.474 20.005 -29.633 1.00 22.12 H new ATOM 1064 N PRO A 66 11.636 21.847 -29.545 1.00 11.11 N ATOM 1065 CA PRO A 66 11.368 23.058 -30.326 1.00 40.54 C ATOM 1066 C PRO A 66 10.462 24.036 -29.586 1.00 13.42 C ATOM 1067 O PRO A 66 10.238 25.157 -30.043 1.00 22.03 O ATOM 1068 CB PRO A 66 10.669 22.524 -31.580 1.00 64.25 C ATOM 1069 CG PRO A 66 10.052 21.238 -31.150 1.00 12.41 C ATOM 1070 CD PRO A 66 10.977 20.660 -30.116 1.00 41.25 C ATOM 0 HA PRO A 66 12.279 23.618 -30.536 1.00 40.54 H new ATOM 0 HB2 PRO A 66 9.915 23.224 -31.942 1.00 64.25 H new ATOM 0 HB3 PRO A 66 11.378 22.371 -32.394 1.00 64.25 H new ATOM 0 HG2 PRO A 66 9.057 21.402 -30.736 1.00 12.41 H new ATOM 0 HG3 PRO A 66 9.938 20.559 -31.995 1.00 12.41 H new ATOM 0 HD2 PRO A 66 10.431 20.100 -29.357 1.00 41.25 H new ATOM 0 HD3 PRO A 66 11.699 19.975 -30.561 1.00 41.25 H new ATOM 1078 N MET A 67 9.942 23.604 -28.442 1.00 30.13 N ATOM 1079 CA MET A 67 9.060 24.444 -27.639 1.00 41.22 C ATOM 1080 C MET A 67 9.838 25.144 -26.529 1.00 24.33 C ATOM 1081 O MET A 67 9.358 26.106 -25.931 1.00 15.53 O ATOM 1082 CB MET A 67 7.932 23.606 -27.035 1.00 0.42 C ATOM 1083 CG MET A 67 6.943 23.087 -28.066 1.00 11.00 C ATOM 1084 SD MET A 67 5.418 24.048 -28.110 1.00 11.12 S ATOM 1085 CE MET A 67 5.492 24.724 -29.767 1.00 53.14 C ATOM 0 H MET A 67 10.116 22.678 -28.050 1.00 30.13 H new ATOM 0 HA MET A 67 8.629 25.203 -28.292 1.00 41.22 H new ATOM 0 HB2 MET A 67 8.365 22.760 -26.500 1.00 0.42 H new ATOM 0 HB3 MET A 67 7.397 24.207 -26.300 1.00 0.42 H new ATOM 0 HG2 MET A 67 7.408 23.105 -29.052 1.00 11.00 H new ATOM 0 HG3 MET A 67 6.706 22.046 -27.845 1.00 11.00 H new ATOM 0 HE1 MET A 67 4.614 25.344 -29.946 1.00 53.14 H new ATOM 0 HE2 MET A 67 6.392 25.330 -29.873 1.00 53.14 H new ATOM 0 HE3 MET A 67 5.515 23.910 -30.491 1.00 53.14 H new ATOM 1095 N VAL A 68 11.045 24.654 -26.258 1.00 1.51 N ATOM 1096 CA VAL A 68 11.890 25.233 -25.221 1.00 55.41 C ATOM 1097 C VAL A 68 12.280 26.665 -25.566 1.00 73.11 C ATOM 1098 O VAL A 68 12.028 27.604 -24.809 1.00 3.04 O ATOM 1099 CB VAL A 68 13.169 24.401 -25.010 1.00 73.32 C ATOM 1100 CG1 VAL A 68 14.307 25.285 -24.523 1.00 12.22 C ATOM 1101 CG2 VAL A 68 12.909 23.264 -24.033 1.00 62.31 C ATOM 0 H VAL A 68 11.458 23.858 -26.743 1.00 1.51 H new ATOM 0 HA VAL A 68 11.307 25.230 -24.300 1.00 55.41 H new ATOM 0 HB VAL A 68 13.462 23.968 -25.966 1.00 73.32 H new ATOM 0 HG11 VAL A 68 15.202 24.680 -24.380 1.00 12.22 H new ATOM 0 HG12 VAL A 68 14.508 26.060 -25.263 1.00 12.22 H new ATOM 0 HG13 VAL A 68 14.028 25.750 -23.577 1.00 12.22 H new ATOM 0 HG21 VAL A 68 13.823 22.686 -23.895 1.00 62.31 H new ATOM 0 HG22 VAL A 68 12.591 23.674 -23.074 1.00 62.31 H new ATOM 0 HG23 VAL A 68 12.127 22.616 -24.428 1.00 62.31 H new ATOM 1111 N PRO A 69 12.909 26.842 -26.737 1.00 4.02 N ATOM 1112 CA PRO A 69 13.347 28.158 -27.211 1.00 63.41 C ATOM 1113 C PRO A 69 12.175 29.056 -27.594 1.00 1.23 C ATOM 1114 O PRO A 69 12.366 30.175 -28.072 1.00 2.53 O ATOM 1115 CB PRO A 69 14.193 27.829 -28.443 1.00 41.45 C ATOM 1116 CG PRO A 69 13.672 26.518 -28.922 1.00 61.33 C ATOM 1117 CD PRO A 69 13.241 25.769 -27.690 1.00 65.11 C ATOM 0 HA PRO A 69 13.887 28.709 -26.441 1.00 63.41 H new ATOM 0 HB2 PRO A 69 14.093 28.598 -29.209 1.00 41.45 H new ATOM 0 HB3 PRO A 69 15.252 27.766 -28.191 1.00 41.45 H new ATOM 0 HG2 PRO A 69 12.836 26.657 -29.607 1.00 61.33 H new ATOM 0 HG3 PRO A 69 14.440 25.967 -29.465 1.00 61.33 H new ATOM 0 HD2 PRO A 69 12.382 25.128 -27.889 1.00 65.11 H new ATOM 0 HD3 PRO A 69 14.036 25.127 -27.311 1.00 65.11 H new ATOM 1125 N THR A 70 10.960 28.559 -27.380 1.00 23.24 N ATOM 1126 CA THR A 70 9.758 29.315 -27.704 1.00 75.33 C ATOM 1127 C THR A 70 8.603 28.933 -26.784 1.00 64.32 C ATOM 1128 O THR A 70 7.451 28.879 -27.208 1.00 40.21 O ATOM 1129 CB THR A 70 9.329 29.091 -29.167 1.00 50.45 C ATOM 1130 OG1 THR A 70 9.087 27.698 -29.397 1.00 11.44 O ATOM 1131 CG2 THR A 70 10.398 29.590 -30.127 1.00 52.24 C ATOM 0 H THR A 70 10.784 27.636 -26.984 1.00 23.24 H new ATOM 0 HA THR A 70 10.000 30.368 -27.562 1.00 75.33 H new ATOM 0 HB THR A 70 8.413 29.654 -29.345 1.00 50.45 H new ATOM 0 HG1 THR A 70 9.933 27.249 -29.604 1.00 11.44 H new ATOM 0 HG21 THR A 70 10.073 29.421 -31.154 1.00 52.24 H new ATOM 0 HG22 THR A 70 10.560 30.656 -29.968 1.00 52.24 H new ATOM 0 HG23 THR A 70 11.328 29.051 -29.948 1.00 52.24 H new ATOM 1139 N GLY A 71 8.923 28.670 -25.520 1.00 60.05 N ATOM 1140 CA GLY A 71 7.901 28.297 -24.559 1.00 63.31 C ATOM 1141 C GLY A 71 8.120 28.935 -23.202 1.00 71.24 C ATOM 1142 O GLY A 71 9.249 29.265 -22.839 1.00 44.13 O ATOM 0 H GLY A 71 9.871 28.709 -25.145 1.00 60.05 H new ATOM 0 HA2 GLY A 71 6.923 28.590 -24.941 1.00 63.31 H new ATOM 0 HA3 GLY A 71 7.888 27.213 -24.449 1.00 63.31 H new ATOM 1146 N SER A 72 7.038 29.114 -22.451 1.00 4.42 N ATOM 1147 CA SER A 72 7.116 29.722 -21.128 1.00 23.35 C ATOM 1148 C SER A 72 7.811 28.789 -20.142 1.00 52.25 C ATOM 1149 O SER A 72 8.187 27.670 -20.489 1.00 62.22 O ATOM 1150 CB SER A 72 5.716 30.070 -20.620 1.00 63.03 C ATOM 1151 OG SER A 72 5.190 29.025 -19.822 1.00 42.33 O ATOM 0 H SER A 72 6.096 28.846 -22.737 1.00 4.42 H new ATOM 0 HA SER A 72 7.702 30.637 -21.210 1.00 23.35 H new ATOM 0 HB2 SER A 72 5.755 30.991 -20.039 1.00 63.03 H new ATOM 0 HB3 SER A 72 5.054 30.254 -21.466 1.00 63.03 H new ATOM 0 HG SER A 72 4.534 29.392 -19.193 1.00 42.33 H new ATOM 1157 N GLU A 73 7.976 29.259 -18.909 1.00 64.03 N ATOM 1158 CA GLU A 73 8.627 28.467 -17.871 1.00 52.21 C ATOM 1159 C GLU A 73 7.830 27.199 -17.575 1.00 22.54 C ATOM 1160 O GLU A 73 8.400 26.152 -17.275 1.00 41.25 O ATOM 1161 CB GLU A 73 8.786 29.293 -16.593 1.00 40.55 C ATOM 1162 CG GLU A 73 10.210 29.760 -16.343 1.00 30.43 C ATOM 1163 CD GLU A 73 10.937 28.900 -15.329 1.00 5.53 C ATOM 1164 OE1 GLU A 73 11.575 27.908 -15.740 1.00 23.25 O ATOM 1165 OE2 GLU A 73 10.869 29.218 -14.124 1.00 75.31 O ATOM 0 H GLU A 73 7.668 30.183 -18.605 1.00 64.03 H new ATOM 0 HA GLU A 73 9.614 28.179 -18.234 1.00 52.21 H new ATOM 0 HB2 GLU A 73 8.132 30.163 -16.649 1.00 40.55 H new ATOM 0 HB3 GLU A 73 8.453 28.698 -15.742 1.00 40.55 H new ATOM 0 HG2 GLU A 73 10.761 29.751 -17.283 1.00 30.43 H new ATOM 0 HG3 GLU A 73 10.194 30.792 -15.993 1.00 30.43 H new ATOM 1172 N ASN A 74 6.508 27.304 -17.662 1.00 34.11 N ATOM 1173 CA ASN A 74 5.633 26.168 -17.403 1.00 14.52 C ATOM 1174 C ASN A 74 5.981 24.993 -18.312 1.00 23.50 C ATOM 1175 O ASN A 74 5.669 23.842 -18.005 1.00 42.40 O ATOM 1176 CB ASN A 74 4.169 26.567 -17.607 1.00 62.34 C ATOM 1177 CG ASN A 74 3.845 27.911 -16.982 1.00 14.50 C ATOM 1178 OD1 ASN A 74 3.251 28.778 -17.623 1.00 42.11 O ATOM 1179 ND2 ASN A 74 4.234 28.088 -15.726 1.00 61.45 N ATOM 0 H ASN A 74 6.020 28.165 -17.910 1.00 34.11 H new ATOM 0 HA ASN A 74 5.779 25.860 -16.368 1.00 14.52 H new ATOM 0 HB2 ASN A 74 3.950 26.603 -18.674 1.00 62.34 H new ATOM 0 HB3 ASN A 74 3.523 25.803 -17.175 1.00 62.34 H new ATOM 0 HD21 ASN A 74 4.043 28.971 -15.253 1.00 61.45 H new ATOM 0 HD22 ASN A 74 4.724 27.341 -15.234 1.00 61.45 H new ATOM 1186 N LEU A 75 6.631 25.292 -19.432 1.00 14.20 N ATOM 1187 CA LEU A 75 7.023 24.261 -20.387 1.00 65.54 C ATOM 1188 C LEU A 75 8.484 23.866 -20.191 1.00 31.01 C ATOM 1189 O LEU A 75 8.933 22.838 -20.698 1.00 25.10 O ATOM 1190 CB LEU A 75 6.803 24.753 -21.817 1.00 25.44 C ATOM 1191 CG LEU A 75 7.153 23.763 -22.929 1.00 35.42 C ATOM 1192 CD1 LEU A 75 6.092 23.787 -24.018 1.00 13.44 C ATOM 1193 CD2 LEU A 75 8.524 24.076 -23.511 1.00 35.14 C ATOM 0 H LEU A 75 6.897 26.239 -19.701 1.00 14.20 H new ATOM 0 HA LEU A 75 6.401 23.383 -20.213 1.00 65.54 H new ATOM 0 HB2 LEU A 75 5.756 25.035 -21.926 1.00 25.44 H new ATOM 0 HB3 LEU A 75 7.394 25.657 -21.964 1.00 25.44 H new ATOM 0 HG LEU A 75 7.183 22.761 -22.501 1.00 35.42 H new ATOM 0 HD11 LEU A 75 6.358 23.076 -24.801 1.00 13.44 H new ATOM 0 HD12 LEU A 75 5.127 23.513 -23.592 1.00 13.44 H new ATOM 0 HD13 LEU A 75 6.030 24.789 -24.443 1.00 13.44 H new ATOM 0 HD21 LEU A 75 8.756 23.361 -24.301 1.00 35.14 H new ATOM 0 HD22 LEU A 75 8.522 25.085 -23.924 1.00 35.14 H new ATOM 0 HD23 LEU A 75 9.277 24.006 -22.726 1.00 35.14 H new ATOM 1205 N LYS A 76 9.219 24.688 -19.451 1.00 43.43 N ATOM 1206 CA LYS A 76 10.629 24.423 -19.184 1.00 73.40 C ATOM 1207 C LYS A 76 10.789 23.456 -18.016 1.00 54.14 C ATOM 1208 O LYS A 76 11.720 22.650 -17.987 1.00 31.54 O ATOM 1209 CB LYS A 76 11.365 25.731 -18.882 1.00 2.02 C ATOM 1210 CG LYS A 76 11.949 26.398 -20.115 1.00 63.12 C ATOM 1211 CD LYS A 76 12.341 27.840 -19.836 1.00 15.42 C ATOM 1212 CE LYS A 76 12.624 28.600 -21.123 1.00 4.43 C ATOM 1213 NZ LYS A 76 13.373 29.861 -20.869 1.00 43.11 N ATOM 0 H LYS A 76 8.863 25.544 -19.025 1.00 43.43 H new ATOM 0 HA LYS A 76 11.063 23.965 -20.073 1.00 73.40 H new ATOM 0 HB2 LYS A 76 10.676 26.422 -18.397 1.00 2.02 H new ATOM 0 HB3 LYS A 76 12.168 25.531 -18.172 1.00 2.02 H new ATOM 0 HG2 LYS A 76 12.823 25.841 -20.452 1.00 63.12 H new ATOM 0 HG3 LYS A 76 11.221 26.368 -20.925 1.00 63.12 H new ATOM 0 HD2 LYS A 76 11.540 28.336 -19.288 1.00 15.42 H new ATOM 0 HD3 LYS A 76 13.225 27.861 -19.198 1.00 15.42 H new ATOM 0 HE2 LYS A 76 13.198 27.967 -21.800 1.00 4.43 H new ATOM 0 HE3 LYS A 76 11.683 28.831 -21.623 1.00 4.43 H new ATOM 0 HZ1 LYS A 76 13.546 30.350 -21.771 1.00 43.11 H new ATOM 0 HZ2 LYS A 76 12.815 30.476 -20.243 1.00 43.11 H new ATOM 0 HZ3 LYS A 76 14.282 29.639 -20.415 1.00 43.11 H new ATOM 1227 N SER A 77 9.875 23.540 -17.054 1.00 42.34 N ATOM 1228 CA SER A 77 9.918 22.673 -15.882 1.00 12.32 C ATOM 1229 C SER A 77 9.567 21.236 -16.257 1.00 45.41 C ATOM 1230 O SER A 77 10.242 20.291 -15.844 1.00 72.22 O ATOM 1231 CB SER A 77 8.952 23.181 -14.810 1.00 21.30 C ATOM 1232 OG SER A 77 9.656 23.754 -13.721 1.00 42.51 O ATOM 0 H SER A 77 9.097 24.199 -17.063 1.00 42.34 H new ATOM 0 HA SER A 77 10.933 22.690 -15.485 1.00 12.32 H new ATOM 0 HB2 SER A 77 8.280 23.922 -15.243 1.00 21.30 H new ATOM 0 HB3 SER A 77 8.333 22.358 -14.454 1.00 21.30 H new ATOM 0 HG SER A 77 9.017 24.073 -13.050 1.00 42.51 H new ATOM 1238 N LEU A 78 8.507 21.077 -17.043 1.00 54.14 N ATOM 1239 CA LEU A 78 8.065 19.756 -17.474 1.00 24.23 C ATOM 1240 C LEU A 78 9.045 19.154 -18.476 1.00 70.44 C ATOM 1241 O LEU A 78 9.052 17.944 -18.704 1.00 32.34 O ATOM 1242 CB LEU A 78 6.670 19.841 -18.096 1.00 43.23 C ATOM 1243 CG LEU A 78 6.136 18.554 -18.725 1.00 4.32 C ATOM 1244 CD1 LEU A 78 5.944 17.480 -17.665 1.00 75.42 C ATOM 1245 CD2 LEU A 78 4.831 18.821 -19.460 1.00 53.31 C ATOM 0 H LEU A 78 7.938 21.847 -17.394 1.00 54.14 H new ATOM 0 HA LEU A 78 8.027 19.109 -16.598 1.00 24.23 H new ATOM 0 HB2 LEU A 78 5.970 20.163 -17.325 1.00 43.23 H new ATOM 0 HB3 LEU A 78 6.682 20.618 -18.861 1.00 43.23 H new ATOM 0 HG LEU A 78 6.869 18.194 -19.447 1.00 4.32 H new ATOM 0 HD11 LEU A 78 5.563 16.572 -18.132 1.00 75.42 H new ATOM 0 HD12 LEU A 78 6.899 17.268 -17.185 1.00 75.42 H new ATOM 0 HD13 LEU A 78 5.232 17.830 -16.918 1.00 75.42 H new ATOM 0 HD21 LEU A 78 4.466 17.894 -19.901 1.00 53.31 H new ATOM 0 HD22 LEU A 78 4.090 19.205 -18.759 1.00 53.31 H new ATOM 0 HD23 LEU A 78 5.001 19.555 -20.247 1.00 53.31 H new ATOM 1257 N PHE A 79 9.874 20.007 -19.070 1.00 41.14 N ATOM 1258 CA PHE A 79 10.860 19.559 -20.047 1.00 73.13 C ATOM 1259 C PHE A 79 12.147 19.117 -19.356 1.00 20.33 C ATOM 1260 O PHE A 79 12.759 18.121 -19.739 1.00 12.44 O ATOM 1261 CB PHE A 79 11.163 20.677 -21.047 1.00 53.11 C ATOM 1262 CG PHE A 79 12.432 20.463 -21.820 1.00 21.11 C ATOM 1263 CD1 PHE A 79 12.492 19.518 -22.831 1.00 11.22 C ATOM 1264 CD2 PHE A 79 13.566 21.207 -21.535 1.00 3.03 C ATOM 1265 CE1 PHE A 79 13.658 19.318 -23.545 1.00 71.54 C ATOM 1266 CE2 PHE A 79 14.735 21.012 -22.246 1.00 11.31 C ATOM 1267 CZ PHE A 79 14.783 20.066 -23.251 1.00 54.43 C ATOM 0 H PHE A 79 9.882 21.011 -18.892 1.00 41.14 H new ATOM 0 HA PHE A 79 10.443 18.706 -20.582 1.00 73.13 H new ATOM 0 HB2 PHE A 79 10.331 20.763 -21.746 1.00 53.11 H new ATOM 0 HB3 PHE A 79 11.229 21.624 -20.512 1.00 53.11 H new ATOM 0 HD1 PHE A 79 11.616 18.930 -23.064 1.00 11.22 H new ATOM 0 HD2 PHE A 79 13.536 21.947 -20.749 1.00 3.03 H new ATOM 0 HE1 PHE A 79 13.691 18.579 -24.331 1.00 71.54 H new ATOM 0 HE2 PHE A 79 15.611 21.600 -22.016 1.00 11.31 H new ATOM 0 HZ PHE A 79 15.697 19.911 -23.806 1.00 54.43 H new ATOM 1277 N ASN A 80 12.553 19.867 -18.338 1.00 71.04 N ATOM 1278 CA ASN A 80 13.768 19.555 -17.594 1.00 44.22 C ATOM 1279 C ASN A 80 13.599 18.267 -16.793 1.00 41.03 C ATOM 1280 O ASN A 80 14.561 17.530 -16.569 1.00 60.24 O ATOM 1281 CB ASN A 80 14.128 20.708 -16.655 1.00 31.34 C ATOM 1282 CG ASN A 80 13.586 20.504 -15.254 1.00 65.51 C ATOM 1283 OD1 ASN A 80 12.517 21.009 -14.911 1.00 21.00 O ATOM 1284 ND2 ASN A 80 14.324 19.763 -14.437 1.00 60.04 N ATOM 0 H ASN A 80 12.058 20.696 -18.009 1.00 71.04 H new ATOM 0 HA ASN A 80 14.577 19.414 -18.311 1.00 44.22 H new ATOM 0 HB2 ASN A 80 15.212 20.812 -16.611 1.00 31.34 H new ATOM 0 HB3 ASN A 80 13.735 21.640 -17.061 1.00 31.34 H new ATOM 0 HD21 ASN A 80 14.011 19.592 -13.481 1.00 60.04 H new ATOM 0 HD22 ASN A 80 15.204 19.364 -14.765 1.00 60.04 H new ATOM 1291 N THR A 81 12.369 18.000 -16.364 1.00 23.21 N ATOM 1292 CA THR A 81 12.074 16.802 -15.588 1.00 73.22 C ATOM 1293 C THR A 81 12.155 15.551 -16.455 1.00 10.41 C ATOM 1294 O THR A 81 12.607 14.498 -16.004 1.00 34.42 O ATOM 1295 CB THR A 81 10.674 16.879 -14.948 1.00 24.22 C ATOM 1296 OG1 THR A 81 10.588 18.028 -14.098 1.00 34.03 O ATOM 1297 CG2 THR A 81 10.379 15.623 -14.142 1.00 35.21 C ATOM 0 H THR A 81 11.561 18.597 -16.541 1.00 23.21 H new ATOM 0 HA THR A 81 12.824 16.743 -14.800 1.00 73.22 H new ATOM 0 HB THR A 81 9.936 16.961 -15.746 1.00 24.22 H new ATOM 0 HG1 THR A 81 10.455 18.830 -14.645 1.00 34.03 H new ATOM 0 HG21 THR A 81 9.386 15.700 -13.700 1.00 35.21 H new ATOM 0 HG22 THR A 81 10.418 14.753 -14.797 1.00 35.21 H new ATOM 0 HG23 THR A 81 11.121 15.516 -13.351 1.00 35.21 H new ATOM 1305 N VAL A 82 11.715 15.672 -17.704 1.00 22.13 N ATOM 1306 CA VAL A 82 11.741 14.551 -18.636 1.00 53.32 C ATOM 1307 C VAL A 82 13.149 13.984 -18.775 1.00 11.35 C ATOM 1308 O VAL A 82 13.377 12.798 -18.536 1.00 23.35 O ATOM 1309 CB VAL A 82 11.225 14.966 -20.026 1.00 21.24 C ATOM 1310 CG1 VAL A 82 11.332 13.805 -21.004 1.00 44.31 C ATOM 1311 CG2 VAL A 82 9.792 15.466 -19.937 1.00 51.35 C ATOM 0 H VAL A 82 11.336 16.535 -18.093 1.00 22.13 H new ATOM 0 HA VAL A 82 11.084 13.784 -18.227 1.00 53.32 H new ATOM 0 HB VAL A 82 11.847 15.781 -20.395 1.00 21.24 H new ATOM 0 HG11 VAL A 82 10.963 14.117 -21.981 1.00 44.31 H new ATOM 0 HG12 VAL A 82 12.374 13.498 -21.091 1.00 44.31 H new ATOM 0 HG13 VAL A 82 10.736 12.968 -20.641 1.00 44.31 H new ATOM 0 HG21 VAL A 82 9.445 15.755 -20.929 1.00 51.35 H new ATOM 0 HG22 VAL A 82 9.154 14.674 -19.546 1.00 51.35 H new ATOM 0 HG23 VAL A 82 9.748 16.329 -19.272 1.00 51.35 H new ATOM 1321 N CYS A 83 14.088 14.839 -19.164 1.00 41.11 N ATOM 1322 CA CYS A 83 15.475 14.423 -19.336 1.00 24.42 C ATOM 1323 C CYS A 83 15.933 13.558 -18.166 1.00 61.44 C ATOM 1324 O CYS A 83 16.576 12.525 -18.357 1.00 33.04 O ATOM 1325 CB CYS A 83 16.384 15.647 -19.467 1.00 4.31 C ATOM 1326 SG CYS A 83 16.619 16.212 -21.168 1.00 23.45 S ATOM 0 H CYS A 83 13.914 15.824 -19.366 1.00 41.11 H new ATOM 0 HA CYS A 83 15.540 13.831 -20.249 1.00 24.42 H new ATOM 0 HB2 CYS A 83 15.964 16.463 -18.879 1.00 4.31 H new ATOM 0 HB3 CYS A 83 17.357 15.412 -19.036 1.00 4.31 H new ATOM 0 HG CYS A 83 16.193 17.435 -21.282 1.00 23.45 H new ATOM 1332 N VAL A 84 15.600 13.987 -16.954 1.00 54.34 N ATOM 1333 CA VAL A 84 15.977 13.252 -15.752 1.00 73.22 C ATOM 1334 C VAL A 84 15.485 11.811 -15.812 1.00 11.53 C ATOM 1335 O VAL A 84 16.235 10.876 -15.528 1.00 32.35 O ATOM 1336 CB VAL A 84 15.414 13.923 -14.484 1.00 33.12 C ATOM 1337 CG1 VAL A 84 15.720 13.082 -13.255 1.00 73.45 C ATOM 1338 CG2 VAL A 84 15.974 15.329 -14.332 1.00 52.14 C ATOM 0 H VAL A 84 15.070 14.840 -16.777 1.00 54.34 H new ATOM 0 HA VAL A 84 17.066 13.259 -15.705 1.00 73.22 H new ATOM 0 HB VAL A 84 14.331 13.997 -14.583 1.00 33.12 H new ATOM 0 HG11 VAL A 84 15.315 13.571 -12.369 1.00 73.45 H new ATOM 0 HG12 VAL A 84 15.266 12.097 -13.365 1.00 73.45 H new ATOM 0 HG13 VAL A 84 16.799 12.973 -13.148 1.00 73.45 H new ATOM 0 HG21 VAL A 84 15.566 15.788 -13.431 1.00 52.14 H new ATOM 0 HG22 VAL A 84 17.060 15.282 -14.255 1.00 52.14 H new ATOM 0 HG23 VAL A 84 15.698 15.927 -15.201 1.00 52.14 H new ATOM 1348 N ILE A 85 14.222 11.638 -16.183 1.00 13.34 N ATOM 1349 CA ILE A 85 13.630 10.309 -16.283 1.00 51.14 C ATOM 1350 C ILE A 85 14.339 9.469 -17.338 1.00 1.02 C ATOM 1351 O ILE A 85 14.754 8.341 -17.073 1.00 43.13 O ATOM 1352 CB ILE A 85 12.130 10.385 -16.626 1.00 42.45 C ATOM 1353 CG1 ILE A 85 11.363 11.089 -15.505 1.00 62.01 C ATOM 1354 CG2 ILE A 85 11.570 8.991 -16.863 1.00 43.41 C ATOM 1355 CD1 ILE A 85 11.107 10.209 -14.301 1.00 64.41 C ATOM 0 H ILE A 85 13.588 12.401 -16.420 1.00 13.34 H new ATOM 0 HA ILE A 85 13.748 9.837 -15.307 1.00 51.14 H new ATOM 0 HB ILE A 85 12.011 10.964 -17.542 1.00 42.45 H new ATOM 0 HG12 ILE A 85 11.924 11.969 -15.189 1.00 62.01 H new ATOM 0 HG13 ILE A 85 10.409 11.443 -15.895 1.00 62.01 H new ATOM 0 HG21 ILE A 85 10.509 9.061 -17.104 1.00 43.41 H new ATOM 0 HG22 ILE A 85 12.100 8.522 -17.692 1.00 43.41 H new ATOM 0 HG23 ILE A 85 11.698 8.389 -15.963 1.00 43.41 H new ATOM 0 HD11 ILE A 85 10.559 10.774 -13.547 1.00 64.41 H new ATOM 0 HD12 ILE A 85 10.519 9.342 -14.602 1.00 64.41 H new ATOM 0 HD13 ILE A 85 12.058 9.876 -13.885 1.00 64.41 H new ATOM 1367 N TRP A 86 14.478 10.028 -18.535 1.00 1.55 N ATOM 1368 CA TRP A 86 15.140 9.330 -19.632 1.00 50.01 C ATOM 1369 C TRP A 86 16.547 8.898 -19.233 1.00 73.55 C ATOM 1370 O TRP A 86 17.009 7.823 -19.617 1.00 33.32 O ATOM 1371 CB TRP A 86 15.201 10.225 -20.870 1.00 10.14 C ATOM 1372 CG TRP A 86 15.970 9.618 -22.005 1.00 21.30 C ATOM 1373 CD1 TRP A 86 15.466 8.874 -23.032 1.00 15.54 C ATOM 1374 CD2 TRP A 86 17.383 9.703 -22.225 1.00 53.13 C ATOM 1375 NE1 TRP A 86 16.479 8.492 -23.878 1.00 40.33 N ATOM 1376 CE2 TRP A 86 17.664 8.988 -23.405 1.00 42.33 C ATOM 1377 CE3 TRP A 86 18.436 10.315 -21.540 1.00 31.14 C ATOM 1378 CZ2 TRP A 86 18.956 8.869 -23.912 1.00 52.32 C ATOM 1379 CZ3 TRP A 86 19.717 10.195 -22.045 1.00 73.43 C ATOM 1380 CH2 TRP A 86 19.968 9.478 -23.221 1.00 32.15 C ATOM 0 H TRP A 86 14.142 10.962 -18.771 1.00 1.55 H new ATOM 0 HA TRP A 86 14.558 8.438 -19.865 1.00 50.01 H new ATOM 0 HB2 TRP A 86 14.186 10.442 -21.203 1.00 10.14 H new ATOM 0 HB3 TRP A 86 15.658 11.177 -20.599 1.00 10.14 H new ATOM 0 HD1 TRP A 86 14.424 8.622 -23.161 1.00 15.54 H new ATOM 0 HE1 TRP A 86 16.366 7.930 -24.722 1.00 40.33 H new ATOM 0 HE3 TRP A 86 18.252 10.871 -20.633 1.00 31.14 H new ATOM 0 HZ2 TRP A 86 19.152 8.316 -24.818 1.00 52.32 H new ATOM 0 HZ3 TRP A 86 20.539 10.663 -21.523 1.00 73.43 H new ATOM 0 HH2 TRP A 86 20.980 9.404 -23.590 1.00 32.15 H new ATOM 1391 N CYS A 87 17.221 9.741 -18.459 1.00 24.54 N ATOM 1392 CA CYS A 87 18.577 9.447 -18.008 1.00 45.31 C ATOM 1393 C CYS A 87 18.605 8.175 -17.164 1.00 32.54 C ATOM 1394 O CYS A 87 19.363 7.247 -17.448 1.00 12.00 O ATOM 1395 CB CYS A 87 19.135 10.620 -17.201 1.00 23.25 C ATOM 1396 SG CYS A 87 20.280 11.671 -18.125 1.00 33.54 S ATOM 0 H CYS A 87 16.851 10.633 -18.131 1.00 24.54 H new ATOM 0 HA CYS A 87 19.201 9.292 -18.889 1.00 45.31 H new ATOM 0 HB2 CYS A 87 18.305 11.230 -16.845 1.00 23.25 H new ATOM 0 HB3 CYS A 87 19.646 10.231 -16.320 1.00 23.25 H new ATOM 0 HG CYS A 87 19.814 12.883 -18.173 1.00 33.54 H new ATOM 1402 N ILE A 88 17.776 8.143 -16.126 1.00 0.53 N ATOM 1403 CA ILE A 88 17.707 6.987 -15.241 1.00 1.35 C ATOM 1404 C ILE A 88 17.605 5.690 -16.038 1.00 41.42 C ATOM 1405 O ILE A 88 18.258 4.697 -15.715 1.00 51.23 O ATOM 1406 CB ILE A 88 16.505 7.083 -14.284 1.00 41.35 C ATOM 1407 CG1 ILE A 88 16.606 8.347 -13.429 1.00 74.14 C ATOM 1408 CG2 ILE A 88 16.431 5.845 -13.401 1.00 14.22 C ATOM 1409 CD1 ILE A 88 15.266 8.867 -12.957 1.00 22.35 C ATOM 0 H ILE A 88 17.143 8.904 -15.877 1.00 0.53 H new ATOM 0 HA ILE A 88 18.627 6.981 -14.657 1.00 1.35 H new ATOM 0 HB ILE A 88 15.592 7.139 -14.876 1.00 41.35 H new ATOM 0 HG12 ILE A 88 17.232 8.140 -12.561 1.00 74.14 H new ATOM 0 HG13 ILE A 88 17.107 9.126 -14.004 1.00 74.14 H new ATOM 0 HG21 ILE A 88 15.576 5.927 -12.730 1.00 14.22 H new ATOM 0 HG22 ILE A 88 16.318 4.959 -14.026 1.00 14.22 H new ATOM 0 HG23 ILE A 88 17.346 5.761 -12.815 1.00 14.22 H new ATOM 0 HD11 ILE A 88 15.415 9.764 -12.357 1.00 22.35 H new ATOM 0 HD12 ILE A 88 14.644 9.107 -13.820 1.00 22.35 H new ATOM 0 HD13 ILE A 88 14.772 8.105 -12.354 1.00 22.35 H new ATOM 1421 N HIS A 89 16.783 5.706 -17.082 1.00 30.41 N ATOM 1422 CA HIS A 89 16.597 4.533 -17.929 1.00 41.31 C ATOM 1423 C HIS A 89 17.737 4.403 -18.935 1.00 62.42 C ATOM 1424 O HIS A 89 18.107 3.266 -19.227 1.00 53.34 O ATOM 1425 CB HIS A 89 15.259 4.614 -18.665 1.00 34.05 C ATOM 1426 CG HIS A 89 14.080 4.748 -17.750 1.00 22.35 C ATOM 1427 ND1 HIS A 89 13.986 4.092 -16.542 1.00 73.13 N ATOM 1428 CD2 HIS A 89 12.941 5.470 -17.875 1.00 52.13 C ATOM 1429 CE1 HIS A 89 12.841 4.404 -15.962 1.00 10.30 C ATOM 1430 NE2 HIS A 89 12.188 5.238 -16.751 1.00 35.52 N ATOM 0 H HIS A 89 16.234 6.519 -17.362 1.00 30.41 H new ATOM 0 HA HIS A 89 16.597 3.651 -17.289 1.00 41.31 H new ATOM 0 HB2 HIS A 89 15.279 5.465 -19.346 1.00 34.05 H new ATOM 0 HB3 HIS A 89 15.135 3.720 -19.276 1.00 34.05 H new ATOM 0 HD2 HIS A 89 12.675 6.109 -18.704 1.00 52.13 H new ATOM 0 HE1 HIS A 89 12.497 4.039 -15.005 1.00 10.30 H new ATOM 0 HE2 HIS A 89 11.273 5.644 -16.557 1.00 35.52 H new ATOM 1438 N ALA A 90 18.284 5.497 -19.453 1.00 74.22 N ATOM 1439 CA ALA A 90 19.376 5.423 -20.416 1.00 75.25 C ATOM 1440 C ALA A 90 20.613 4.784 -19.794 1.00 42.31 C ATOM 1441 O ALA A 90 21.545 4.400 -20.500 1.00 72.13 O ATOM 1442 CB ALA A 90 19.707 6.810 -20.946 1.00 4.12 C ATOM 0 H ALA A 90 17.989 6.446 -19.222 1.00 74.22 H new ATOM 0 HA ALA A 90 19.053 4.796 -21.247 1.00 75.25 H new ATOM 0 HB1 ALA A 90 20.524 6.740 -21.664 1.00 4.12 H new ATOM 0 HB2 ALA A 90 18.829 7.232 -21.435 1.00 4.12 H new ATOM 0 HB3 ALA A 90 20.005 7.454 -20.119 1.00 4.12 H new ATOM 1448 N GLU A 91 20.614 4.672 -18.470 1.00 73.12 N ATOM 1449 CA GLU A 91 21.738 4.080 -17.754 1.00 71.05 C ATOM 1450 C GLU A 91 22.934 5.027 -17.741 1.00 64.45 C ATOM 1451 O GLU A 91 24.075 4.605 -17.931 1.00 54.34 O ATOM 1452 CB GLU A 91 22.134 2.749 -18.395 1.00 44.20 C ATOM 1453 CG GLU A 91 22.730 1.753 -17.413 1.00 71.51 C ATOM 1454 CD GLU A 91 24.224 1.570 -17.603 1.00 41.23 C ATOM 1455 OE1 GLU A 91 24.619 0.878 -18.564 1.00 71.01 O ATOM 1456 OE2 GLU A 91 24.996 2.118 -16.789 1.00 3.24 O ATOM 0 H GLU A 91 19.849 4.983 -17.871 1.00 73.12 H new ATOM 0 HA GLU A 91 21.427 3.901 -16.725 1.00 71.05 H new ATOM 0 HB2 GLU A 91 21.255 2.304 -18.862 1.00 44.20 H new ATOM 0 HB3 GLU A 91 22.855 2.939 -19.190 1.00 44.20 H new ATOM 0 HG2 GLU A 91 22.536 2.091 -16.395 1.00 71.51 H new ATOM 0 HG3 GLU A 91 22.232 0.791 -17.530 1.00 71.51 H new ATOM 1463 N GLU A 92 22.665 6.309 -17.517 1.00 15.51 N ATOM 1464 CA GLU A 92 23.718 7.317 -17.481 1.00 10.41 C ATOM 1465 C GLU A 92 23.890 7.874 -16.071 1.00 54.10 C ATOM 1466 O GLU A 92 22.912 8.125 -15.367 1.00 53.31 O ATOM 1467 CB GLU A 92 23.402 8.453 -18.455 1.00 1.22 C ATOM 1468 CG GLU A 92 23.429 8.029 -19.914 1.00 40.44 C ATOM 1469 CD GLU A 92 24.795 8.206 -20.548 1.00 22.24 C ATOM 1470 OE1 GLU A 92 25.807 8.069 -19.828 1.00 15.05 O ATOM 1471 OE2 GLU A 92 24.852 8.482 -21.765 1.00 22.42 O ATOM 0 H GLU A 92 21.726 6.674 -17.358 1.00 15.51 H new ATOM 0 HA GLU A 92 24.651 6.841 -17.781 1.00 10.41 H new ATOM 0 HB2 GLU A 92 22.417 8.857 -18.221 1.00 1.22 H new ATOM 0 HB3 GLU A 92 24.121 9.259 -18.306 1.00 1.22 H new ATOM 0 HG2 GLU A 92 23.130 6.984 -19.990 1.00 40.44 H new ATOM 0 HG3 GLU A 92 22.696 8.612 -20.471 1.00 40.44 H new ATOM 1478 N LYS A 93 25.140 8.065 -15.664 1.00 5.34 N ATOM 1479 CA LYS A 93 25.443 8.592 -14.339 1.00 35.54 C ATOM 1480 C LYS A 93 25.333 10.114 -14.322 1.00 12.10 C ATOM 1481 O LYS A 93 25.950 10.800 -15.136 1.00 1.15 O ATOM 1482 CB LYS A 93 26.848 8.167 -13.906 1.00 32.23 C ATOM 1483 CG LYS A 93 26.895 6.796 -13.255 1.00 12.23 C ATOM 1484 CD LYS A 93 27.001 5.689 -14.291 1.00 73.54 C ATOM 1485 CE LYS A 93 28.451 5.329 -14.576 1.00 61.01 C ATOM 1486 NZ LYS A 93 29.067 6.253 -15.568 1.00 11.04 N ATOM 0 H LYS A 93 25.961 7.862 -16.234 1.00 5.34 H new ATOM 0 HA LYS A 93 24.715 8.184 -13.638 1.00 35.54 H new ATOM 0 HB2 LYS A 93 27.504 8.169 -14.777 1.00 32.23 H new ATOM 0 HB3 LYS A 93 27.243 8.905 -13.208 1.00 32.23 H new ATOM 0 HG2 LYS A 93 27.747 6.743 -12.577 1.00 12.23 H new ATOM 0 HG3 LYS A 93 25.999 6.647 -12.653 1.00 12.23 H new ATOM 0 HD2 LYS A 93 26.469 4.806 -13.937 1.00 73.54 H new ATOM 0 HD3 LYS A 93 26.515 6.005 -15.214 1.00 73.54 H new ATOM 0 HE2 LYS A 93 29.022 5.359 -13.648 1.00 61.01 H new ATOM 0 HE3 LYS A 93 28.505 4.307 -14.950 1.00 61.01 H new ATOM 0 HZ1 LYS A 93 29.895 5.796 -16.001 1.00 11.04 H new ATOM 0 HZ2 LYS A 93 28.372 6.482 -16.307 1.00 11.04 H new ATOM 0 HZ3 LYS A 93 29.364 7.127 -15.090 1.00 11.04 H new ATOM 1500 N VAL A 94 24.545 10.634 -13.387 1.00 74.20 N ATOM 1501 CA VAL A 94 24.356 12.076 -13.262 1.00 2.43 C ATOM 1502 C VAL A 94 24.455 12.519 -11.807 1.00 41.40 C ATOM 1503 O VAL A 94 24.288 11.715 -10.889 1.00 22.01 O ATOM 1504 CB VAL A 94 22.993 12.514 -13.829 1.00 21.24 C ATOM 1505 CG1 VAL A 94 22.878 12.134 -15.298 1.00 22.41 C ATOM 1506 CG2 VAL A 94 21.858 11.903 -13.022 1.00 52.02 C ATOM 0 H VAL A 94 24.027 10.080 -12.705 1.00 74.20 H new ATOM 0 HA VAL A 94 25.150 12.551 -13.838 1.00 2.43 H new ATOM 0 HB VAL A 94 22.920 13.599 -13.752 1.00 21.24 H new ATOM 0 HG11 VAL A 94 21.908 12.452 -15.681 1.00 22.41 H new ATOM 0 HG12 VAL A 94 23.670 12.625 -15.864 1.00 22.41 H new ATOM 0 HG13 VAL A 94 22.973 11.053 -15.403 1.00 22.41 H new ATOM 0 HG21 VAL A 94 20.903 12.224 -13.437 1.00 52.02 H new ATOM 0 HG22 VAL A 94 21.926 10.816 -13.064 1.00 52.02 H new ATOM 0 HG23 VAL A 94 21.931 12.231 -11.985 1.00 52.02 H new ATOM 1516 N LYS A 95 24.727 13.802 -11.603 1.00 72.03 N ATOM 1517 CA LYS A 95 24.846 14.355 -10.259 1.00 64.15 C ATOM 1518 C LYS A 95 23.670 15.272 -9.941 1.00 63.43 C ATOM 1519 O LYS A 95 23.179 15.299 -8.812 1.00 33.21 O ATOM 1520 CB LYS A 95 26.161 15.126 -10.117 1.00 64.40 C ATOM 1521 CG LYS A 95 27.015 14.664 -8.949 1.00 52.23 C ATOM 1522 CD LYS A 95 28.130 13.738 -9.404 1.00 10.11 C ATOM 1523 CE LYS A 95 29.484 14.431 -9.356 1.00 32.12 C ATOM 1524 NZ LYS A 95 30.199 14.161 -8.079 1.00 61.25 N ATOM 0 H LYS A 95 24.870 14.480 -12.352 1.00 72.03 H new ATOM 0 HA LYS A 95 24.839 13.526 -9.551 1.00 64.15 H new ATOM 0 HB2 LYS A 95 26.734 15.023 -11.038 1.00 64.40 H new ATOM 0 HB3 LYS A 95 25.939 16.186 -9.997 1.00 64.40 H new ATOM 0 HG2 LYS A 95 27.444 15.531 -8.446 1.00 52.23 H new ATOM 0 HG3 LYS A 95 26.388 14.150 -8.220 1.00 52.23 H new ATOM 0 HD2 LYS A 95 28.151 12.852 -8.769 1.00 10.11 H new ATOM 0 HD3 LYS A 95 27.930 13.398 -10.420 1.00 10.11 H new ATOM 0 HE2 LYS A 95 30.095 14.093 -10.193 1.00 32.12 H new ATOM 0 HE3 LYS A 95 29.347 15.506 -9.475 1.00 32.12 H new ATOM 0 HZ1 LYS A 95 31.117 14.650 -8.085 1.00 61.25 H new ATOM 0 HZ2 LYS A 95 29.628 14.506 -7.282 1.00 61.25 H new ATOM 0 HZ3 LYS A 95 30.353 13.138 -7.977 1.00 61.25 H new ATOM 1538 N ASP A 96 23.222 16.022 -10.942 1.00 64.22 N ATOM 1539 CA ASP A 96 22.102 16.939 -10.770 1.00 0.50 C ATOM 1540 C ASP A 96 21.350 17.131 -12.083 1.00 53.52 C ATOM 1541 O ASP A 96 21.715 16.557 -13.110 1.00 11.13 O ATOM 1542 CB ASP A 96 22.596 18.289 -10.249 1.00 53.23 C ATOM 1543 CG ASP A 96 23.638 18.913 -11.155 1.00 35.10 C ATOM 1544 OD1 ASP A 96 23.341 19.115 -12.351 1.00 14.52 O ATOM 1545 OD2 ASP A 96 24.751 19.203 -10.668 1.00 4.52 O ATOM 0 H ASP A 96 23.618 16.013 -11.882 1.00 64.22 H new ATOM 0 HA ASP A 96 21.418 16.505 -10.041 1.00 0.50 H new ATOM 0 HB2 ASP A 96 21.750 18.969 -10.151 1.00 53.23 H new ATOM 0 HB3 ASP A 96 23.017 18.158 -9.252 1.00 53.23 H new ATOM 1550 N THR A 97 20.296 17.941 -12.043 1.00 3.13 N ATOM 1551 CA THR A 97 19.491 18.207 -13.228 1.00 2.15 C ATOM 1552 C THR A 97 20.357 18.699 -14.382 1.00 10.02 C ATOM 1553 O THR A 97 20.319 18.143 -15.479 1.00 32.54 O ATOM 1554 CB THR A 97 18.396 19.251 -12.941 1.00 62.34 C ATOM 1555 OG1 THR A 97 17.498 18.757 -11.941 1.00 71.34 O ATOM 1556 CG2 THR A 97 17.621 19.584 -14.206 1.00 11.21 C ATOM 0 H THR A 97 19.980 18.424 -11.202 1.00 3.13 H new ATOM 0 HA THR A 97 19.019 17.265 -13.507 1.00 2.15 H new ATOM 0 HB THR A 97 18.877 20.160 -12.579 1.00 62.34 H new ATOM 0 HG1 THR A 97 17.488 19.372 -11.178 1.00 71.34 H new ATOM 0 HG21 THR A 97 16.853 20.323 -13.978 1.00 11.21 H new ATOM 0 HG22 THR A 97 18.303 19.988 -14.955 1.00 11.21 H new ATOM 0 HG23 THR A 97 17.151 18.680 -14.593 1.00 11.21 H new ATOM 1564 N GLU A 98 21.139 19.744 -14.125 1.00 15.33 N ATOM 1565 CA GLU A 98 22.014 20.311 -15.145 1.00 51.34 C ATOM 1566 C GLU A 98 22.859 19.223 -15.802 1.00 41.02 C ATOM 1567 O GLU A 98 22.982 19.172 -17.025 1.00 63.34 O ATOM 1568 CB GLU A 98 22.923 21.378 -14.531 1.00 5.23 C ATOM 1569 CG GLU A 98 22.243 22.722 -14.342 1.00 73.31 C ATOM 1570 CD GLU A 98 22.845 23.809 -15.211 1.00 72.12 C ATOM 1571 OE1 GLU A 98 23.289 23.492 -16.335 1.00 44.05 O ATOM 1572 OE2 GLU A 98 22.874 24.976 -14.768 1.00 74.05 O ATOM 0 H GLU A 98 21.184 20.214 -13.221 1.00 15.33 H new ATOM 0 HA GLU A 98 21.389 20.772 -15.910 1.00 51.34 H new ATOM 0 HB2 GLU A 98 23.283 21.024 -13.565 1.00 5.23 H new ATOM 0 HB3 GLU A 98 23.797 21.509 -15.169 1.00 5.23 H new ATOM 0 HG2 GLU A 98 21.182 22.624 -14.573 1.00 73.31 H new ATOM 0 HG3 GLU A 98 22.315 23.017 -13.295 1.00 73.31 H new ATOM 1579 N GLY A 99 23.439 18.354 -14.979 1.00 4.44 N ATOM 1580 CA GLY A 99 24.266 17.279 -15.498 1.00 73.01 C ATOM 1581 C GLY A 99 23.474 16.289 -16.328 1.00 40.01 C ATOM 1582 O GLY A 99 23.965 15.784 -17.338 1.00 13.25 O ATOM 0 H GLY A 99 23.351 18.375 -13.963 1.00 4.44 H new ATOM 0 HA2 GLY A 99 25.066 17.701 -16.107 1.00 73.01 H new ATOM 0 HA3 GLY A 99 24.740 16.756 -14.668 1.00 73.01 H new ATOM 1586 N ALA A 100 22.247 16.008 -15.902 1.00 40.03 N ATOM 1587 CA ALA A 100 21.386 15.071 -16.614 1.00 62.45 C ATOM 1588 C ALA A 100 21.120 15.544 -18.038 1.00 21.53 C ATOM 1589 O ALA A 100 21.391 14.828 -19.003 1.00 72.52 O ATOM 1590 CB ALA A 100 20.076 14.884 -15.864 1.00 45.35 C ATOM 0 H ALA A 100 21.827 16.416 -15.067 1.00 40.03 H new ATOM 0 HA ALA A 100 21.901 14.112 -16.668 1.00 62.45 H new ATOM 0 HB1 ALA A 100 19.443 14.182 -16.407 1.00 45.35 H new ATOM 0 HB2 ALA A 100 20.280 14.493 -14.867 1.00 45.35 H new ATOM 0 HB3 ALA A 100 19.565 15.843 -15.780 1.00 45.35 H new ATOM 1596 N LYS A 101 20.586 16.755 -18.164 1.00 43.30 N ATOM 1597 CA LYS A 101 20.283 17.325 -19.472 1.00 42.34 C ATOM 1598 C LYS A 101 21.496 17.251 -20.392 1.00 72.40 C ATOM 1599 O LYS A 101 21.397 16.789 -21.528 1.00 11.12 O ATOM 1600 CB LYS A 101 19.829 18.778 -19.324 1.00 72.44 C ATOM 1601 CG LYS A 101 18.467 19.056 -19.936 1.00 33.42 C ATOM 1602 CD LYS A 101 18.549 19.168 -21.449 1.00 25.25 C ATOM 1603 CE LYS A 101 19.318 20.409 -21.877 1.00 63.13 C ATOM 1604 NZ LYS A 101 18.421 21.445 -22.459 1.00 53.23 N ATOM 0 H LYS A 101 20.354 17.360 -17.376 1.00 43.30 H new ATOM 0 HA LYS A 101 19.476 16.742 -19.917 1.00 42.34 H new ATOM 0 HB2 LYS A 101 19.801 19.035 -18.265 1.00 72.44 H new ATOM 0 HB3 LYS A 101 20.567 19.430 -19.791 1.00 72.44 H new ATOM 0 HG2 LYS A 101 17.776 18.258 -19.666 1.00 33.42 H new ATOM 0 HG3 LYS A 101 18.063 19.980 -19.523 1.00 33.42 H new ATOM 0 HD2 LYS A 101 19.035 18.280 -21.854 1.00 25.25 H new ATOM 0 HD3 LYS A 101 17.543 19.200 -21.867 1.00 25.25 H new ATOM 0 HE2 LYS A 101 19.843 20.825 -21.017 1.00 63.13 H new ATOM 0 HE3 LYS A 101 20.076 20.132 -22.610 1.00 63.13 H new ATOM 0 HZ1 LYS A 101 18.983 22.274 -22.738 1.00 53.23 H new ATOM 0 HZ2 LYS A 101 17.939 21.057 -23.295 1.00 53.23 H new ATOM 0 HZ3 LYS A 101 17.713 21.729 -21.752 1.00 53.23 H new ATOM 1618 N GLN A 102 22.640 17.708 -19.894 1.00 42.12 N ATOM 1619 CA GLN A 102 23.873 17.692 -20.672 1.00 11.33 C ATOM 1620 C GLN A 102 24.062 16.347 -21.366 1.00 63.14 C ATOM 1621 O GLN A 102 24.409 16.289 -22.546 1.00 43.01 O ATOM 1622 CB GLN A 102 25.073 17.989 -19.773 1.00 45.23 C ATOM 1623 CG GLN A 102 26.336 18.348 -20.541 1.00 54.24 C ATOM 1624 CD GLN A 102 27.098 19.495 -19.905 1.00 23.35 C ATOM 1625 OE1 GLN A 102 27.905 19.292 -18.998 1.00 42.23 O ATOM 1626 NE2 GLN A 102 26.847 20.708 -20.381 1.00 31.44 N ATOM 0 H GLN A 102 22.739 18.094 -18.955 1.00 42.12 H new ATOM 0 HA GLN A 102 23.801 18.467 -21.435 1.00 11.33 H new ATOM 0 HB2 GLN A 102 24.820 18.810 -19.103 1.00 45.23 H new ATOM 0 HB3 GLN A 102 25.273 17.118 -19.149 1.00 45.23 H new ATOM 0 HG2 GLN A 102 26.984 17.473 -20.597 1.00 54.24 H new ATOM 0 HG3 GLN A 102 26.071 18.615 -21.564 1.00 54.24 H new ATOM 0 HE21 GLN A 102 26.170 20.830 -21.134 1.00 31.44 H new ATOM 0 HE22 GLN A 102 27.331 21.518 -19.994 1.00 31.44 H new ATOM 1635 N ILE A 103 23.831 15.268 -20.625 1.00 24.21 N ATOM 1636 CA ILE A 103 23.976 13.923 -21.169 1.00 61.12 C ATOM 1637 C ILE A 103 22.987 13.681 -22.305 1.00 25.41 C ATOM 1638 O ILE A 103 23.336 13.096 -23.331 1.00 41.15 O ATOM 1639 CB ILE A 103 23.766 12.851 -20.083 1.00 30.30 C ATOM 1640 CG1 ILE A 103 24.830 12.984 -18.992 1.00 70.21 C ATOM 1641 CG2 ILE A 103 23.802 11.460 -20.699 1.00 62.24 C ATOM 1642 CD1 ILE A 103 24.714 11.940 -17.904 1.00 13.01 C ATOM 0 H ILE A 103 23.543 15.299 -19.647 1.00 24.21 H new ATOM 0 HA ILE A 103 24.993 13.845 -21.553 1.00 61.12 H new ATOM 0 HB ILE A 103 22.787 13.001 -19.629 1.00 30.30 H new ATOM 0 HG12 ILE A 103 25.817 12.913 -19.448 1.00 70.21 H new ATOM 0 HG13 ILE A 103 24.757 13.975 -18.543 1.00 70.21 H new ATOM 0 HG21 ILE A 103 23.652 10.713 -19.920 1.00 62.24 H new ATOM 0 HG22 ILE A 103 23.011 11.371 -21.444 1.00 62.24 H new ATOM 0 HG23 ILE A 103 24.769 11.298 -21.176 1.00 62.24 H new ATOM 0 HD11 ILE A 103 25.500 12.096 -17.165 1.00 13.01 H new ATOM 0 HD12 ILE A 103 23.740 12.024 -17.421 1.00 13.01 H new ATOM 0 HD13 ILE A 103 24.818 10.947 -18.340 1.00 13.01 H new ATOM 1654 N VAL A 104 21.753 14.136 -22.116 1.00 64.44 N ATOM 1655 CA VAL A 104 20.715 13.972 -23.125 1.00 40.54 C ATOM 1656 C VAL A 104 21.049 14.753 -24.390 1.00 34.41 C ATOM 1657 O VAL A 104 21.259 14.172 -25.454 1.00 21.21 O ATOM 1658 CB VAL A 104 19.342 14.432 -22.598 1.00 1.42 C ATOM 1659 CG1 VAL A 104 18.290 14.336 -23.693 1.00 50.15 C ATOM 1660 CG2 VAL A 104 18.936 13.611 -21.384 1.00 73.11 C ATOM 0 H VAL A 104 21.448 14.621 -21.272 1.00 64.44 H new ATOM 0 HA VAL A 104 20.668 12.909 -23.360 1.00 40.54 H new ATOM 0 HB VAL A 104 19.420 15.476 -22.293 1.00 1.42 H new ATOM 0 HG11 VAL A 104 17.327 14.665 -23.302 1.00 50.15 H new ATOM 0 HG12 VAL A 104 18.578 14.971 -24.531 1.00 50.15 H new ATOM 0 HG13 VAL A 104 18.210 13.303 -24.032 1.00 50.15 H new ATOM 0 HG21 VAL A 104 17.964 13.949 -21.025 1.00 73.11 H new ATOM 0 HG22 VAL A 104 18.875 12.558 -21.661 1.00 73.11 H new ATOM 0 HG23 VAL A 104 19.678 13.736 -20.595 1.00 73.11 H new ATOM 1670 N ARG A 105 21.096 16.076 -24.267 1.00 61.34 N ATOM 1671 CA ARG A 105 21.405 16.939 -25.400 1.00 24.23 C ATOM 1672 C ARG A 105 22.671 16.470 -26.112 1.00 4.43 C ATOM 1673 O ARG A 105 22.741 16.473 -27.342 1.00 44.02 O ATOM 1674 CB ARG A 105 21.575 18.387 -24.937 1.00 40.55 C ATOM 1675 CG ARG A 105 21.864 19.360 -26.068 1.00 14.33 C ATOM 1676 CD ARG A 105 23.228 20.011 -25.910 1.00 45.44 C ATOM 1677 NE ARG A 105 23.495 20.987 -26.962 1.00 40.22 N ATOM 1678 CZ ARG A 105 24.492 21.863 -26.916 1.00 74.34 C ATOM 1679 NH1 ARG A 105 25.312 21.886 -25.873 1.00 14.24 N ATOM 1680 NH2 ARG A 105 24.670 22.721 -27.912 1.00 33.32 N ATOM 0 H ARG A 105 20.924 16.573 -23.393 1.00 61.34 H new ATOM 0 HA ARG A 105 20.572 16.885 -26.101 1.00 24.23 H new ATOM 0 HB2 ARG A 105 20.669 18.703 -24.421 1.00 40.55 H new ATOM 0 HB3 ARG A 105 22.388 18.434 -24.212 1.00 40.55 H new ATOM 0 HG2 ARG A 105 21.819 18.834 -27.022 1.00 14.33 H new ATOM 0 HG3 ARG A 105 21.093 20.130 -26.092 1.00 14.33 H new ATOM 0 HD2 ARG A 105 23.285 20.501 -24.938 1.00 45.44 H new ATOM 0 HD3 ARG A 105 24.000 19.242 -25.925 1.00 45.44 H new ATOM 0 HE ARG A 105 22.882 20.997 -27.777 1.00 40.22 H new ATOM 0 HH11 ARG A 105 25.177 21.230 -25.104 1.00 14.24 H new ATOM 0 HH12 ARG A 105 26.077 22.560 -25.840 1.00 14.24 H new ATOM 0 HH21 ARG A 105 24.041 22.708 -28.715 1.00 33.32 H new ATOM 0 HH22 ARG A 105 25.436 23.393 -27.875 1.00 33.32 H new ATOM 1694 N ARG A 106 23.668 16.068 -25.331 1.00 71.12 N ATOM 1695 CA ARG A 106 24.931 15.598 -25.887 1.00 62.03 C ATOM 1696 C ARG A 106 24.694 14.532 -26.953 1.00 72.10 C ATOM 1697 O ARG A 106 25.317 14.552 -28.015 1.00 45.00 O ATOM 1698 CB ARG A 106 25.822 15.034 -24.778 1.00 74.31 C ATOM 1699 CG ARG A 106 26.788 16.055 -24.195 1.00 1.24 C ATOM 1700 CD ARG A 106 28.235 15.659 -24.447 1.00 14.21 C ATOM 1701 NE ARG A 106 28.728 14.720 -23.443 1.00 24.23 N ATOM 1702 CZ ARG A 106 29.977 14.271 -23.408 1.00 21.33 C ATOM 1703 NH1 ARG A 106 30.856 14.672 -24.318 1.00 35.50 N ATOM 1704 NH2 ARG A 106 30.352 13.419 -22.463 1.00 12.44 N ATOM 0 H ARG A 106 23.626 16.058 -24.312 1.00 71.12 H new ATOM 0 HA ARG A 106 25.432 16.447 -26.352 1.00 62.03 H new ATOM 0 HB2 ARG A 106 25.191 14.645 -23.979 1.00 74.31 H new ATOM 0 HB3 ARG A 106 26.391 14.192 -25.173 1.00 74.31 H new ATOM 0 HG2 ARG A 106 26.595 17.033 -24.636 1.00 1.24 H new ATOM 0 HG3 ARG A 106 26.617 16.149 -23.123 1.00 1.24 H new ATOM 0 HD2 ARG A 106 28.321 15.210 -25.436 1.00 14.21 H new ATOM 0 HD3 ARG A 106 28.861 16.552 -24.447 1.00 14.21 H new ATOM 0 HE ARG A 106 28.077 14.391 -22.730 1.00 24.23 H new ATOM 0 HH11 ARG A 106 30.573 15.327 -25.047 1.00 35.50 H new ATOM 0 HH12 ARG A 106 31.815 14.325 -24.288 1.00 35.50 H new ATOM 0 HH21 ARG A 106 29.680 13.108 -21.761 1.00 12.44 H new ATOM 0 HH22 ARG A 106 31.312 13.075 -22.438 1.00 12.44 H new ATOM 1718 N HIS A 107 23.788 13.603 -26.662 1.00 62.53 N ATOM 1719 CA HIS A 107 23.468 12.529 -27.596 1.00 42.43 C ATOM 1720 C HIS A 107 22.589 13.042 -28.733 1.00 71.32 C ATOM 1721 O HIS A 107 22.745 12.533 -29.844 1.00 70.22 O ATOM 1722 CB HIS A 107 22.761 11.385 -26.868 1.00 52.44 C ATOM 1723 CG HIS A 107 23.693 10.496 -26.101 1.00 33.41 C ATOM 1724 ND1 HIS A 107 24.819 9.928 -26.658 1.00 31.40 N ATOM 1725 CD2 HIS A 107 23.661 10.079 -24.815 1.00 73.44 C ATOM 1726 CE1 HIS A 107 25.438 9.201 -25.747 1.00 4.54 C ATOM 1727 NE2 HIS A 107 24.757 9.276 -24.618 1.00 13.52 N ATOM 0 H HIS A 107 23.263 13.572 -25.788 1.00 62.53 H new ATOM 0 HA HIS A 107 24.402 12.159 -28.019 1.00 42.43 H new ATOM 0 HB2 HIS A 107 22.024 11.802 -26.182 1.00 52.44 H new ATOM 0 HB3 HIS A 107 22.216 10.784 -27.596 1.00 52.44 H new ATOM 0 HD2 HIS A 107 22.912 10.331 -24.079 1.00 73.44 H new ATOM 0 HE1 HIS A 107 26.348 8.639 -25.899 1.00 4.54 H new ATOM 0 HE2 HIS A 107 25.005 8.813 -23.743 1.00 13.52 H new ATOM 1735 N LEU A 108 21.703 14.002 -28.496 1.00 75.43 N ATOM 1736 CA LEU A 108 20.841 14.526 -29.551 1.00 44.03 C ATOM 1737 C LEU A 108 21.648 15.334 -30.562 1.00 71.43 C ATOM 1738 O LEU A 108 21.377 15.295 -31.762 1.00 10.23 O ATOM 1739 CB LEU A 108 19.737 15.397 -28.949 1.00 11.13 C ATOM 1740 CG LEU A 108 18.833 14.719 -27.919 1.00 42.21 C ATOM 1741 CD1 LEU A 108 18.074 15.757 -27.108 1.00 23.51 C ATOM 1742 CD2 LEU A 108 17.866 13.763 -28.603 1.00 22.53 C ATOM 0 H LEU A 108 21.562 14.434 -27.583 1.00 75.43 H new ATOM 0 HA LEU A 108 20.387 13.681 -30.069 1.00 44.03 H new ATOM 0 HB2 LEU A 108 20.201 16.264 -28.480 1.00 11.13 H new ATOM 0 HB3 LEU A 108 19.113 15.770 -29.761 1.00 11.13 H new ATOM 0 HG LEU A 108 19.460 14.144 -27.238 1.00 42.21 H new ATOM 0 HD11 LEU A 108 17.436 15.255 -26.380 1.00 23.51 H new ATOM 0 HD12 LEU A 108 18.783 16.401 -26.586 1.00 23.51 H new ATOM 0 HD13 LEU A 108 17.458 16.361 -27.775 1.00 23.51 H new ATOM 0 HD21 LEU A 108 17.231 13.290 -27.854 1.00 22.53 H new ATOM 0 HD22 LEU A 108 17.245 14.316 -29.308 1.00 22.53 H new ATOM 0 HD23 LEU A 108 18.428 12.997 -29.138 1.00 22.53 H new