USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 850 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 30:sc= -0.675! USER MOD Set 1.2: A 97 THR OG1 : rot -87:sc= 0.718 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.26! C(o=-3.3!,f=-11!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.592 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 110:sc= -0.197 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.16) 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 87:sc= 0.148 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0919 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 81 THR OG1 : rot 71:sc= 0.111 USER MOD Single : A 83 CYS SG : rot 78:sc= 0.791 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.155 USER MOD Single : A 89 HIS : no HD1:sc= -0.251 K(o=-0.25,f=-2.9) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 156:sc= -0.0591 (180deg=-0.469) 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= 0.524 K(o=0.52,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 4.873 7.535 -3.776 1.00 52.34 N ATOM 103 CA ARG A 9 5.814 8.401 -4.478 1.00 63.35 C ATOM 104 C ARG A 9 6.541 7.634 -5.578 1.00 51.22 C ATOM 105 O ARG A 9 6.197 6.494 -5.886 1.00 54.10 O ATOM 106 CB ARG A 9 6.828 8.991 -3.495 1.00 64.43 C ATOM 107 CG ARG A 9 7.031 10.488 -3.655 1.00 1.21 C ATOM 108 CD ARG A 9 7.626 11.107 -2.399 1.00 35.55 C ATOM 109 NE ARG A 9 8.581 12.166 -2.712 1.00 52.25 N ATOM 110 CZ ARG A 9 9.810 11.940 -3.164 1.00 62.34 C ATOM 111 NH1 ARG A 9 10.230 10.697 -3.356 1.00 61.12 N ATOM 112 NH2 ARG A 9 10.620 12.958 -3.425 1.00 24.50 N ATOM 0 HA ARG A 9 5.250 9.213 -4.937 1.00 63.35 H new ATOM 0 HB2 ARG A 9 6.497 8.785 -2.477 1.00 64.43 H new ATOM 0 HB3 ARG A 9 7.785 8.487 -3.627 1.00 64.43 H new ATOM 0 HG2 ARG A 9 7.689 10.678 -4.503 1.00 1.21 H new ATOM 0 HG3 ARG A 9 6.076 10.964 -3.879 1.00 1.21 H new ATOM 0 HD2 ARG A 9 6.825 11.512 -1.780 1.00 35.55 H new ATOM 0 HD3 ARG A 9 8.122 10.333 -1.813 1.00 35.55 H new ATOM 0 HE ARG A 9 8.288 13.134 -2.576 1.00 52.25 H new ATOM 0 HH11 ARG A 9 9.609 9.912 -3.157 1.00 61.12 H new ATOM 0 HH12 ARG A 9 11.174 10.525 -3.703 1.00 61.12 H new ATOM 0 HH21 ARG A 9 10.300 13.915 -3.279 1.00 24.50 H new ATOM 0 HH22 ARG A 9 11.563 12.783 -3.772 1.00 24.50 H new ATOM 126 N GLY A 10 7.550 8.270 -6.167 1.00 3.02 N ATOM 127 CA GLY A 10 8.310 7.634 -7.227 1.00 63.54 C ATOM 128 C GLY A 10 9.341 6.658 -6.695 1.00 12.55 C ATOM 129 O GLY A 10 9.419 5.516 -7.149 1.00 63.25 O ATOM 0 H GLY A 10 7.854 9.214 -5.929 1.00 3.02 H new ATOM 0 HA2 GLY A 10 7.627 7.109 -7.895 1.00 63.54 H new ATOM 0 HA3 GLY A 10 8.811 8.399 -7.821 1.00 63.54 H new ATOM 133 N LYS A 11 10.138 7.108 -5.731 1.00 13.54 N ATOM 134 CA LYS A 11 11.171 6.269 -5.137 1.00 73.12 C ATOM 135 C LYS A 11 10.551 5.153 -4.303 1.00 70.43 C ATOM 136 O LYS A 11 10.936 3.989 -4.420 1.00 44.32 O ATOM 137 CB LYS A 11 12.105 7.113 -4.267 1.00 62.22 C ATOM 138 CG LYS A 11 13.546 7.115 -4.746 1.00 44.21 C ATOM 139 CD LYS A 11 14.484 7.674 -3.689 1.00 11.00 C ATOM 140 CE LYS A 11 14.803 9.138 -3.944 1.00 3.55 C ATOM 141 NZ LYS A 11 14.927 9.909 -2.677 1.00 50.35 N ATOM 0 H LYS A 11 10.087 8.051 -5.345 1.00 13.54 H new ATOM 0 HA LYS A 11 11.747 5.818 -5.945 1.00 73.12 H new ATOM 0 HB2 LYS A 11 11.737 8.139 -4.243 1.00 62.22 H new ATOM 0 HB3 LYS A 11 12.072 6.739 -3.244 1.00 62.22 H new ATOM 0 HG2 LYS A 11 13.847 6.099 -5.000 1.00 44.21 H new ATOM 0 HG3 LYS A 11 13.627 7.709 -5.656 1.00 44.21 H new ATOM 0 HD2 LYS A 11 14.029 7.566 -2.704 1.00 11.00 H new ATOM 0 HD3 LYS A 11 15.408 7.096 -3.679 1.00 11.00 H new ATOM 0 HE2 LYS A 11 15.733 9.214 -4.507 1.00 3.55 H new ATOM 0 HE3 LYS A 11 14.020 9.578 -4.561 1.00 3.55 H new ATOM 0 HZ1 LYS A 11 15.145 10.902 -2.895 1.00 50.35 H new ATOM 0 HZ2 LYS A 11 14.031 9.858 -2.151 1.00 50.35 H new ATOM 0 HZ3 LYS A 11 15.692 9.506 -2.099 1.00 50.35 H new ATOM 155 N LYS A 12 9.589 5.515 -3.460 1.00 30.52 N ATOM 156 CA LYS A 12 8.913 4.544 -2.608 1.00 64.21 C ATOM 157 C LYS A 12 8.232 3.465 -3.445 1.00 32.12 C ATOM 158 O LYS A 12 8.275 2.283 -3.105 1.00 64.04 O ATOM 159 CB LYS A 12 7.880 5.244 -1.722 1.00 72.13 C ATOM 160 CG LYS A 12 8.479 6.295 -0.803 1.00 14.22 C ATOM 161 CD LYS A 12 8.396 5.875 0.654 1.00 43.25 C ATOM 162 CE LYS A 12 9.231 6.782 1.545 1.00 52.34 C ATOM 163 NZ LYS A 12 8.398 7.816 2.220 1.00 34.30 N ATOM 0 H LYS A 12 9.260 6.474 -3.349 1.00 30.52 H new ATOM 0 HA LYS A 12 9.663 4.069 -1.976 1.00 64.21 H new ATOM 0 HB2 LYS A 12 7.129 5.714 -2.356 1.00 72.13 H new ATOM 0 HB3 LYS A 12 7.365 4.496 -1.118 1.00 72.13 H new ATOM 0 HG2 LYS A 12 9.521 6.466 -1.074 1.00 14.22 H new ATOM 0 HG3 LYS A 12 7.955 7.241 -0.940 1.00 14.22 H new ATOM 0 HD2 LYS A 12 7.357 5.898 0.982 1.00 43.25 H new ATOM 0 HD3 LYS A 12 8.740 4.846 0.757 1.00 43.25 H new ATOM 0 HE2 LYS A 12 9.743 6.181 2.296 1.00 52.34 H new ATOM 0 HE3 LYS A 12 10.001 7.269 0.947 1.00 52.34 H new ATOM 0 HZ1 LYS A 12 9.004 8.414 2.818 1.00 34.30 H new ATOM 0 HZ2 LYS A 12 7.929 8.406 1.503 1.00 34.30 H new ATOM 0 HZ3 LYS A 12 7.679 7.351 2.811 1.00 34.30 H new ATOM 177 N ALA A 13 7.607 3.880 -4.542 1.00 41.44 N ATOM 178 CA ALA A 13 6.921 2.949 -5.428 1.00 0.05 C ATOM 179 C ALA A 13 7.851 1.826 -5.872 1.00 14.22 C ATOM 180 O ALA A 13 7.434 0.675 -6.001 1.00 42.42 O ATOM 181 CB ALA A 13 6.365 3.685 -6.639 1.00 41.42 C ATOM 0 H ALA A 13 7.562 4.855 -4.838 1.00 41.44 H new ATOM 0 HA ALA A 13 6.094 2.503 -4.875 1.00 0.05 H new ATOM 0 HB1 ALA A 13 5.855 2.977 -7.292 1.00 41.42 H new ATOM 0 HB2 ALA A 13 5.659 4.447 -6.309 1.00 41.42 H new ATOM 0 HB3 ALA A 13 7.182 4.158 -7.184 1.00 41.42 H new ATOM 187 N ASP A 14 9.114 2.168 -6.105 1.00 75.22 N ATOM 188 CA ASP A 14 10.105 1.187 -6.533 1.00 41.21 C ATOM 189 C ASP A 14 10.251 0.074 -5.500 1.00 23.11 C ATOM 190 O ASP A 14 10.753 -1.007 -5.806 1.00 24.31 O ATOM 191 CB ASP A 14 11.456 1.864 -6.765 1.00 52.11 C ATOM 192 CG ASP A 14 12.294 1.145 -7.804 1.00 2.34 C ATOM 193 OD1 ASP A 14 11.841 0.096 -8.309 1.00 61.01 O ATOM 194 OD2 ASP A 14 13.401 1.632 -8.115 1.00 45.14 O ATOM 0 H ASP A 14 9.475 3.117 -6.005 1.00 75.22 H new ATOM 0 HA ASP A 14 9.762 0.746 -7.469 1.00 41.21 H new ATOM 0 HB2 ASP A 14 11.293 2.894 -7.083 1.00 52.11 H new ATOM 0 HB3 ASP A 14 12.005 1.904 -5.824 1.00 52.11 H new ATOM 199 N GLU A 15 9.809 0.348 -4.276 1.00 71.11 N ATOM 200 CA GLU A 15 9.893 -0.630 -3.198 1.00 20.21 C ATOM 201 C GLU A 15 8.565 -1.361 -3.023 1.00 31.21 C ATOM 202 O GLU A 15 8.534 -2.574 -2.809 1.00 14.10 O ATOM 203 CB GLU A 15 10.288 0.054 -1.888 1.00 5.33 C ATOM 204 CG GLU A 15 11.709 -0.251 -1.447 1.00 51.33 C ATOM 205 CD GLU A 15 11.762 -1.092 -0.186 1.00 3.11 C ATOM 206 OE1 GLU A 15 11.761 -0.508 0.918 1.00 45.11 O ATOM 207 OE2 GLU A 15 11.801 -2.335 -0.303 1.00 53.31 O ATOM 0 H GLU A 15 9.390 1.238 -4.007 1.00 71.11 H new ATOM 0 HA GLU A 15 10.658 -1.360 -3.463 1.00 20.21 H new ATOM 0 HB2 GLU A 15 10.176 1.132 -2.003 1.00 5.33 H new ATOM 0 HB3 GLU A 15 9.598 -0.257 -1.103 1.00 5.33 H new ATOM 0 HG2 GLU A 15 12.230 -0.773 -2.249 1.00 51.33 H new ATOM 0 HG3 GLU A 15 12.241 0.685 -1.277 1.00 51.33 H new ATOM 214 N LEU A 16 7.469 -0.616 -3.115 1.00 54.32 N ATOM 215 CA LEU A 16 6.138 -1.192 -2.965 1.00 2.04 C ATOM 216 C LEU A 16 5.806 -2.108 -4.139 1.00 44.20 C ATOM 217 O LEU A 16 5.204 -3.166 -3.962 1.00 64.21 O ATOM 218 CB LEU A 16 5.090 -0.082 -2.858 1.00 3.15 C ATOM 219 CG LEU A 16 3.707 -0.510 -2.366 1.00 2.40 C ATOM 220 CD1 LEU A 16 2.936 -1.205 -3.478 1.00 3.23 C ATOM 221 CD2 LEU A 16 3.830 -1.419 -1.152 1.00 34.13 C ATOM 0 H LEU A 16 7.476 0.388 -3.293 1.00 54.32 H new ATOM 0 HA LEU A 16 6.126 -1.785 -2.050 1.00 2.04 H new ATOM 0 HB2 LEU A 16 5.471 0.686 -2.185 1.00 3.15 H new ATOM 0 HB3 LEU A 16 4.978 0.380 -3.839 1.00 3.15 H new ATOM 0 HG LEU A 16 3.155 0.383 -2.072 1.00 2.40 H new ATOM 0 HD11 LEU A 16 1.954 -1.502 -3.109 1.00 3.23 H new ATOM 0 HD12 LEU A 16 2.816 -0.522 -4.319 1.00 3.23 H new ATOM 0 HD13 LEU A 16 3.484 -2.089 -3.803 1.00 3.23 H new ATOM 0 HD21 LEU A 16 2.836 -1.714 -0.816 1.00 34.13 H new ATOM 0 HD22 LEU A 16 4.401 -2.308 -1.420 1.00 34.13 H new ATOM 0 HD23 LEU A 16 4.342 -0.887 -0.350 1.00 34.13 H new ATOM 233 N GLU A 17 6.204 -1.693 -5.338 1.00 53.34 N ATOM 234 CA GLU A 17 5.950 -2.478 -6.540 1.00 52.21 C ATOM 235 C GLU A 17 6.977 -3.598 -6.686 1.00 1.32 C ATOM 236 O GLU A 17 6.866 -4.443 -7.574 1.00 34.23 O ATOM 237 CB GLU A 17 5.981 -1.579 -7.778 1.00 24.32 C ATOM 238 CG GLU A 17 5.627 -2.305 -9.066 1.00 4.51 C ATOM 239 CD GLU A 17 5.443 -1.360 -10.236 1.00 4.25 C ATOM 240 OE1 GLU A 17 4.450 -0.602 -10.236 1.00 5.03 O ATOM 241 OE2 GLU A 17 6.290 -1.377 -11.154 1.00 43.42 O ATOM 0 H GLU A 17 6.703 -0.819 -5.502 1.00 53.34 H new ATOM 0 HA GLU A 17 4.960 -2.926 -6.449 1.00 52.21 H new ATOM 0 HB2 GLU A 17 5.286 -0.752 -7.634 1.00 24.32 H new ATOM 0 HB3 GLU A 17 6.976 -1.145 -7.877 1.00 24.32 H new ATOM 0 HG2 GLU A 17 6.414 -3.022 -9.303 1.00 4.51 H new ATOM 0 HG3 GLU A 17 4.710 -2.876 -8.917 1.00 4.51 H new ATOM 248 N ARG A 18 7.975 -3.596 -5.809 1.00 71.24 N ATOM 249 CA ARG A 18 9.022 -4.610 -5.840 1.00 42.34 C ATOM 250 C ARG A 18 8.678 -5.776 -4.917 1.00 4.11 C ATOM 251 O ARG A 18 8.837 -6.940 -5.286 1.00 11.32 O ATOM 252 CB ARG A 18 10.363 -4.001 -5.430 1.00 13.23 C ATOM 253 CG ARG A 18 11.298 -3.741 -6.601 1.00 63.14 C ATOM 254 CD ARG A 18 12.087 -4.986 -6.971 1.00 74.42 C ATOM 255 NE ARG A 18 11.428 -5.762 -8.019 1.00 2.41 N ATOM 256 CZ ARG A 18 12.005 -6.772 -8.659 1.00 72.14 C ATOM 257 NH1 ARG A 18 13.246 -7.129 -8.358 1.00 22.53 N ATOM 258 NH2 ARG A 18 11.340 -7.429 -9.600 1.00 2.23 N ATOM 0 H ARG A 18 8.081 -2.903 -5.068 1.00 71.24 H new ATOM 0 HA ARG A 18 9.098 -4.986 -6.860 1.00 42.34 H new ATOM 0 HB2 ARG A 18 10.181 -3.063 -4.906 1.00 13.23 H new ATOM 0 HB3 ARG A 18 10.856 -4.670 -4.724 1.00 13.23 H new ATOM 0 HG2 ARG A 18 10.720 -3.406 -7.462 1.00 63.14 H new ATOM 0 HG3 ARG A 18 11.986 -2.935 -6.346 1.00 63.14 H new ATOM 0 HD2 ARG A 18 13.083 -4.697 -7.306 1.00 74.42 H new ATOM 0 HD3 ARG A 18 12.217 -5.609 -6.086 1.00 74.42 H new ATOM 0 HE ARG A 18 10.472 -5.514 -8.273 1.00 2.41 H new ATOM 0 HH11 ARG A 18 13.759 -6.627 -7.633 1.00 22.53 H new ATOM 0 HH12 ARG A 18 13.687 -7.905 -8.851 1.00 22.53 H new ATOM 0 HH21 ARG A 18 10.384 -7.158 -9.833 1.00 2.23 H new ATOM 0 HH22 ARG A 18 11.784 -8.205 -10.091 1.00 2.23 H new ATOM 272 N ILE A 19 8.206 -5.454 -3.718 1.00 61.33 N ATOM 273 CA ILE A 19 7.839 -6.475 -2.743 1.00 24.02 C ATOM 274 C ILE A 19 6.949 -7.541 -3.373 1.00 25.12 C ATOM 275 O ILE A 19 6.031 -7.228 -4.131 1.00 24.44 O ATOM 276 CB ILE A 19 7.110 -5.862 -1.534 1.00 42.35 C ATOM 277 CG1 ILE A 19 8.005 -4.836 -0.837 1.00 50.43 C ATOM 278 CG2 ILE A 19 6.688 -6.953 -0.560 1.00 13.21 C ATOM 279 CD1 ILE A 19 7.249 -3.642 -0.296 1.00 50.40 C ATOM 0 H ILE A 19 8.068 -4.495 -3.398 1.00 61.33 H new ATOM 0 HA ILE A 19 8.767 -6.935 -2.402 1.00 24.02 H new ATOM 0 HB ILE A 19 6.214 -5.353 -1.889 1.00 42.35 H new ATOM 0 HG12 ILE A 19 8.532 -5.324 -0.017 1.00 50.43 H new ATOM 0 HG13 ILE A 19 8.761 -4.488 -1.541 1.00 50.43 H new ATOM 0 HG21 ILE A 19 6.174 -6.503 0.289 1.00 13.21 H new ATOM 0 HG22 ILE A 19 6.017 -7.650 -1.063 1.00 13.21 H new ATOM 0 HG23 ILE A 19 7.570 -7.488 -0.208 1.00 13.21 H new ATOM 0 HD11 ILE A 19 7.947 -2.957 0.185 1.00 50.40 H new ATOM 0 HD12 ILE A 19 6.743 -3.130 -1.115 1.00 50.40 H new ATOM 0 HD13 ILE A 19 6.511 -3.978 0.432 1.00 50.40 H new ATOM 291 N ARG A 20 7.225 -8.801 -3.052 1.00 43.30 N ATOM 292 CA ARG A 20 6.449 -9.913 -3.585 1.00 62.02 C ATOM 293 C ARG A 20 5.491 -10.463 -2.532 1.00 52.32 C ATOM 294 O ARG A 20 5.850 -10.596 -1.360 1.00 34.32 O ATOM 295 CB ARG A 20 7.380 -11.024 -4.072 1.00 21.44 C ATOM 296 CG ARG A 20 8.327 -10.585 -5.176 1.00 11.54 C ATOM 297 CD ARG A 20 9.073 -11.768 -5.774 1.00 12.40 C ATOM 298 NE ARG A 20 9.993 -12.376 -4.816 1.00 3.52 N ATOM 299 CZ ARG A 20 11.185 -11.871 -4.520 1.00 21.04 C ATOM 300 NH1 ARG A 20 11.601 -10.756 -5.104 1.00 44.15 N ATOM 301 NH2 ARG A 20 11.965 -12.483 -3.637 1.00 1.02 N ATOM 0 H ARG A 20 7.981 -9.077 -2.425 1.00 43.30 H new ATOM 0 HA ARG A 20 5.863 -9.544 -4.426 1.00 62.02 H new ATOM 0 HB2 ARG A 20 7.964 -11.392 -3.229 1.00 21.44 H new ATOM 0 HB3 ARG A 20 6.778 -11.859 -4.432 1.00 21.44 H new ATOM 0 HG2 ARG A 20 7.764 -10.075 -5.958 1.00 11.54 H new ATOM 0 HG3 ARG A 20 9.043 -9.866 -4.778 1.00 11.54 H new ATOM 0 HD2 ARG A 20 8.355 -12.516 -6.112 1.00 12.40 H new ATOM 0 HD3 ARG A 20 9.629 -11.440 -6.652 1.00 12.40 H new ATOM 0 HE ARG A 20 9.704 -13.235 -4.349 1.00 3.52 H new ATOM 0 HH11 ARG A 20 11.005 -10.283 -5.783 1.00 44.15 H new ATOM 0 HH12 ARG A 20 12.517 -10.371 -4.874 1.00 44.15 H new ATOM 0 HH21 ARG A 20 11.649 -13.341 -3.186 1.00 1.02 H new ATOM 0 HH22 ARG A 20 12.881 -12.095 -3.410 1.00 1.02 H new ATOM 315 N LEU A 21 4.272 -10.779 -2.955 1.00 75.52 N ATOM 316 CA LEU A 21 3.263 -11.314 -2.048 1.00 25.02 C ATOM 317 C LEU A 21 3.750 -12.600 -1.388 1.00 43.31 C ATOM 318 O LEU A 21 3.225 -13.016 -0.355 1.00 55.35 O ATOM 319 CB LEU A 21 1.959 -11.577 -2.804 1.00 62.42 C ATOM 320 CG LEU A 21 1.114 -10.346 -3.133 1.00 33.54 C ATOM 321 CD1 LEU A 21 0.289 -10.585 -4.389 1.00 33.42 C ATOM 322 CD2 LEU A 21 0.213 -9.988 -1.961 1.00 23.43 C ATOM 0 H LEU A 21 3.959 -10.674 -3.920 1.00 75.52 H new ATOM 0 HA LEU A 21 3.082 -10.574 -1.268 1.00 25.02 H new ATOM 0 HB2 LEU A 21 2.200 -12.087 -3.737 1.00 62.42 H new ATOM 0 HB3 LEU A 21 1.352 -12.262 -2.213 1.00 62.42 H new ATOM 0 HG LEU A 21 1.785 -9.507 -3.318 1.00 33.54 H new ATOM 0 HD11 LEU A 21 -0.306 -9.698 -4.608 1.00 33.42 H new ATOM 0 HD12 LEU A 21 0.954 -10.791 -5.227 1.00 33.42 H new ATOM 0 HD13 LEU A 21 -0.373 -11.437 -4.233 1.00 33.42 H new ATOM 0 HD21 LEU A 21 -0.381 -9.110 -2.214 1.00 23.43 H new ATOM 0 HD22 LEU A 21 -0.451 -10.825 -1.744 1.00 23.43 H new ATOM 0 HD23 LEU A 21 0.824 -9.773 -1.085 1.00 23.43 H new ATOM 334 N ARG A 22 4.757 -13.224 -1.990 1.00 41.51 N ATOM 335 CA ARG A 22 5.315 -14.461 -1.460 1.00 53.32 C ATOM 336 C ARG A 22 6.837 -14.464 -1.574 1.00 31.21 C ATOM 337 O ARG A 22 7.431 -13.666 -2.300 1.00 34.52 O ATOM 338 CB ARG A 22 4.735 -15.666 -2.203 1.00 72.55 C ATOM 339 CG ARG A 22 3.613 -16.362 -1.451 1.00 70.34 C ATOM 340 CD ARG A 22 3.144 -17.612 -2.180 1.00 54.10 C ATOM 341 NE ARG A 22 4.016 -18.755 -1.922 1.00 1.40 N ATOM 342 CZ ARG A 22 3.690 -20.009 -2.217 1.00 14.43 C ATOM 343 NH1 ARG A 22 2.520 -20.278 -2.779 1.00 72.11 N ATOM 344 NH2 ARG A 22 4.537 -20.995 -1.952 1.00 25.11 N ATOM 0 H ARG A 22 5.203 -12.893 -2.845 1.00 41.51 H new ATOM 0 HA ARG A 22 5.047 -14.529 -0.406 1.00 53.32 H new ATOM 0 HB2 ARG A 22 4.362 -15.339 -3.174 1.00 72.55 H new ATOM 0 HB3 ARG A 22 5.533 -16.383 -2.393 1.00 72.55 H new ATOM 0 HG2 ARG A 22 3.955 -16.630 -0.451 1.00 70.34 H new ATOM 0 HG3 ARG A 22 2.775 -15.675 -1.328 1.00 70.34 H new ATOM 0 HD2 ARG A 22 2.128 -17.854 -1.869 1.00 54.10 H new ATOM 0 HD3 ARG A 22 3.111 -17.416 -3.252 1.00 54.10 H new ATOM 0 HE ARG A 22 4.924 -18.581 -1.492 1.00 1.40 H new ATOM 0 HH11 ARG A 22 1.868 -19.522 -2.986 1.00 72.11 H new ATOM 0 HH12 ARG A 22 2.272 -21.241 -3.005 1.00 72.11 H new ATOM 0 HH21 ARG A 22 5.439 -20.791 -1.522 1.00 25.11 H new ATOM 0 HH22 ARG A 22 4.286 -21.957 -2.179 1.00 25.11 H new ATOM 358 N PRO A 23 7.485 -15.382 -0.841 1.00 11.12 N ATOM 359 CA PRO A 23 8.944 -15.510 -0.843 1.00 34.15 C ATOM 360 C PRO A 23 9.478 -16.049 -2.166 1.00 22.44 C ATOM 361 O PRO A 23 10.587 -15.718 -2.581 1.00 32.23 O ATOM 362 CB PRO A 23 9.215 -16.506 0.288 1.00 2.11 C ATOM 363 CG PRO A 23 7.962 -17.304 0.398 1.00 5.53 C ATOM 364 CD PRO A 23 6.840 -16.365 0.047 1.00 12.13 C ATOM 0 HA PRO A 23 9.437 -14.547 -0.709 1.00 34.15 H new ATOM 0 HB2 PRO A 23 10.070 -17.142 0.059 1.00 2.11 H new ATOM 0 HB3 PRO A 23 9.441 -15.992 1.222 1.00 2.11 H new ATOM 0 HG2 PRO A 23 7.982 -18.158 -0.279 1.00 5.53 H new ATOM 0 HG3 PRO A 23 7.839 -17.700 1.406 1.00 5.53 H new ATOM 0 HD2 PRO A 23 6.023 -16.884 -0.454 1.00 12.13 H new ATOM 0 HD3 PRO A 23 6.420 -15.891 0.934 1.00 12.13 H new ATOM 372 N GLY A 24 8.678 -16.883 -2.825 1.00 11.23 N ATOM 373 CA GLY A 24 9.086 -17.455 -4.095 1.00 52.33 C ATOM 374 C GLY A 24 7.955 -17.494 -5.104 1.00 74.22 C ATOM 375 O GLY A 24 8.007 -18.247 -6.076 1.00 74.24 O ATOM 0 H GLY A 24 7.755 -17.172 -2.502 1.00 11.23 H new ATOM 0 HA2 GLY A 24 9.913 -16.873 -4.503 1.00 52.33 H new ATOM 0 HA3 GLY A 24 9.458 -18.466 -3.932 1.00 52.33 H new ATOM 379 N GLY A 25 6.929 -16.683 -4.872 1.00 45.34 N ATOM 380 CA GLY A 25 5.793 -16.645 -5.775 1.00 61.41 C ATOM 381 C GLY A 25 6.073 -15.834 -7.023 1.00 0.54 C ATOM 382 O GLY A 25 7.225 -15.675 -7.425 1.00 11.40 O ATOM 0 H GLY A 25 6.863 -16.051 -4.074 1.00 45.34 H new ATOM 0 HA2 GLY A 25 5.524 -17.662 -6.059 1.00 61.41 H new ATOM 0 HA3 GLY A 25 4.933 -16.222 -5.255 1.00 61.41 H new ATOM 386 N LYS A 26 5.015 -15.318 -7.641 1.00 11.14 N ATOM 387 CA LYS A 26 5.150 -14.518 -8.852 1.00 32.12 C ATOM 388 C LYS A 26 4.136 -13.379 -8.868 1.00 64.14 C ATOM 389 O LYS A 26 3.343 -13.253 -9.802 1.00 2.20 O ATOM 390 CB LYS A 26 4.967 -15.396 -10.092 1.00 43.05 C ATOM 391 CG LYS A 26 3.632 -16.121 -10.132 1.00 73.44 C ATOM 392 CD LYS A 26 3.672 -17.310 -11.077 1.00 42.23 C ATOM 393 CE LYS A 26 2.841 -18.470 -10.549 1.00 1.32 C ATOM 394 NZ LYS A 26 3.486 -19.784 -10.820 1.00 11.11 N ATOM 0 H LYS A 26 4.054 -15.440 -7.322 1.00 11.14 H new ATOM 0 HA LYS A 26 6.152 -14.089 -8.863 1.00 32.12 H new ATOM 0 HB2 LYS A 26 5.061 -14.776 -10.983 1.00 43.05 H new ATOM 0 HB3 LYS A 26 5.771 -16.131 -10.129 1.00 43.05 H new ATOM 0 HG2 LYS A 26 3.371 -16.460 -9.130 1.00 73.44 H new ATOM 0 HG3 LYS A 26 2.851 -15.430 -10.448 1.00 73.44 H new ATOM 0 HD2 LYS A 26 3.299 -17.010 -12.057 1.00 42.23 H new ATOM 0 HD3 LYS A 26 4.704 -17.633 -11.214 1.00 42.23 H new ATOM 0 HE2 LYS A 26 2.694 -18.352 -9.475 1.00 1.32 H new ATOM 0 HE3 LYS A 26 1.853 -18.448 -11.010 1.00 1.32 H new ATOM 0 HZ1 LYS A 26 2.888 -20.548 -10.445 1.00 11.11 H new ATOM 0 HZ2 LYS A 26 3.603 -19.908 -11.846 1.00 11.11 H new ATOM 0 HZ3 LYS A 26 4.418 -19.815 -10.359 1.00 11.11 H new ATOM 408 N LYS A 27 4.166 -12.551 -7.830 1.00 51.41 N ATOM 409 CA LYS A 27 3.252 -11.421 -7.725 1.00 43.32 C ATOM 410 C LYS A 27 3.774 -10.388 -6.730 1.00 22.45 C ATOM 411 O LYS A 27 4.322 -10.739 -5.685 1.00 22.12 O ATOM 412 CB LYS A 27 1.863 -11.900 -7.296 1.00 43.24 C ATOM 413 CG LYS A 27 0.923 -12.159 -8.461 1.00 62.44 C ATOM 414 CD LYS A 27 -0.525 -12.230 -8.003 1.00 54.41 C ATOM 415 CE LYS A 27 -1.430 -12.769 -9.101 1.00 42.15 C ATOM 416 NZ LYS A 27 -2.345 -13.829 -8.593 1.00 0.44 N ATOM 0 H LYS A 27 4.815 -12.642 -7.048 1.00 51.41 H new ATOM 0 HA LYS A 27 3.182 -10.951 -8.706 1.00 43.32 H new ATOM 0 HB2 LYS A 27 1.967 -12.815 -6.714 1.00 43.24 H new ATOM 0 HB3 LYS A 27 1.417 -11.153 -6.639 1.00 43.24 H new ATOM 0 HG2 LYS A 27 1.033 -11.367 -9.202 1.00 62.44 H new ATOM 0 HG3 LYS A 27 1.197 -13.094 -8.950 1.00 62.44 H new ATOM 0 HD2 LYS A 27 -0.599 -12.869 -7.123 1.00 54.41 H new ATOM 0 HD3 LYS A 27 -0.863 -11.237 -7.706 1.00 54.41 H new ATOM 0 HE2 LYS A 27 -2.017 -11.953 -9.521 1.00 42.15 H new ATOM 0 HE3 LYS A 27 -0.820 -13.172 -9.910 1.00 42.15 H new ATOM 0 HZ1 LYS A 27 -2.945 -14.171 -9.370 1.00 0.44 H new ATOM 0 HZ2 LYS A 27 -1.785 -14.619 -8.215 1.00 0.44 H new ATOM 0 HZ3 LYS A 27 -2.945 -13.438 -7.839 1.00 0.44 H new ATOM 430 N LYS A 28 3.599 -9.113 -7.061 1.00 21.12 N ATOM 431 CA LYS A 28 4.049 -8.029 -6.196 1.00 34.22 C ATOM 432 C LYS A 28 2.877 -7.153 -5.767 1.00 32.12 C ATOM 433 O LYS A 28 1.897 -7.009 -6.497 1.00 40.12 O ATOM 434 CB LYS A 28 5.099 -7.179 -6.916 1.00 53.33 C ATOM 435 CG LYS A 28 4.622 -6.619 -8.244 1.00 13.03 C ATOM 436 CD LYS A 28 5.740 -6.599 -9.274 1.00 40.42 C ATOM 437 CE LYS A 28 5.482 -5.560 -10.355 1.00 75.13 C ATOM 438 NZ LYS A 28 5.464 -6.168 -11.715 1.00 51.52 N ATOM 0 H LYS A 28 3.148 -8.805 -7.923 1.00 21.12 H new ATOM 0 HA LYS A 28 4.495 -8.469 -5.304 1.00 34.22 H new ATOM 0 HB2 LYS A 28 5.393 -6.353 -6.268 1.00 53.33 H new ATOM 0 HB3 LYS A 28 5.990 -7.784 -7.085 1.00 53.33 H new ATOM 0 HG2 LYS A 28 3.793 -7.220 -8.617 1.00 13.03 H new ATOM 0 HG3 LYS A 28 4.242 -5.608 -8.098 1.00 13.03 H new ATOM 0 HD2 LYS A 28 6.688 -6.384 -8.780 1.00 40.42 H new ATOM 0 HD3 LYS A 28 5.834 -7.585 -9.730 1.00 40.42 H new ATOM 0 HE2 LYS A 28 4.529 -5.067 -10.165 1.00 75.13 H new ATOM 0 HE3 LYS A 28 6.253 -4.791 -10.311 1.00 75.13 H new ATOM 0 HZ1 LYS A 28 5.285 -5.428 -12.424 1.00 51.52 H new ATOM 0 HZ2 LYS A 28 6.382 -6.617 -11.907 1.00 51.52 H new ATOM 0 HZ3 LYS A 28 4.712 -6.884 -11.765 1.00 51.52 H new ATOM 452 N TYR A 29 2.987 -6.568 -4.579 1.00 25.40 N ATOM 453 CA TYR A 29 1.935 -5.705 -4.053 1.00 63.53 C ATOM 454 C TYR A 29 1.583 -4.605 -5.048 1.00 52.44 C ATOM 455 O TYR A 29 2.457 -4.064 -5.727 1.00 32.50 O ATOM 456 CB TYR A 29 2.372 -5.087 -2.723 1.00 21.41 C ATOM 457 CG TYR A 29 2.152 -5.992 -1.532 1.00 5.33 C ATOM 458 CD1 TYR A 29 0.869 -6.260 -1.068 1.00 74.45 C ATOM 459 CD2 TYR A 29 3.223 -6.578 -0.871 1.00 34.25 C ATOM 460 CE1 TYR A 29 0.663 -7.086 0.021 1.00 30.22 C ATOM 461 CE2 TYR A 29 3.026 -7.406 0.216 1.00 53.42 C ATOM 462 CZ TYR A 29 1.745 -7.657 0.659 1.00 22.04 C ATOM 463 OH TYR A 29 1.544 -8.480 1.744 1.00 13.43 O ATOM 0 H TYR A 29 3.793 -6.675 -3.963 1.00 25.40 H new ATOM 0 HA TYR A 29 1.047 -6.316 -3.888 1.00 63.53 H new ATOM 0 HB2 TYR A 29 3.429 -4.829 -2.782 1.00 21.41 H new ATOM 0 HB3 TYR A 29 1.825 -4.157 -2.567 1.00 21.41 H new ATOM 0 HD1 TYR A 29 0.020 -5.816 -1.566 1.00 74.45 H new ATOM 0 HD2 TYR A 29 4.228 -6.383 -1.213 1.00 34.25 H new ATOM 0 HE1 TYR A 29 -0.340 -7.283 0.371 1.00 30.22 H new ATOM 0 HE2 TYR A 29 3.871 -7.855 0.717 1.00 53.42 H new ATOM 0 HH TYR A 29 0.679 -8.932 1.656 1.00 13.43 H new ATOM 473 N ARG A 30 0.298 -4.277 -5.129 1.00 64.03 N ATOM 474 CA ARG A 30 -0.171 -3.241 -6.041 1.00 73.32 C ATOM 475 C ARG A 30 -1.419 -2.556 -5.491 1.00 70.25 C ATOM 476 O ARG A 30 -2.011 -3.014 -4.512 1.00 0.35 O ATOM 477 CB ARG A 30 -0.468 -3.840 -7.417 1.00 42.32 C ATOM 478 CG ARG A 30 0.250 -3.135 -8.556 1.00 60.52 C ATOM 479 CD ARG A 30 -0.521 -3.258 -9.861 1.00 72.15 C ATOM 480 NE ARG A 30 -1.491 -2.179 -10.027 1.00 4.05 N ATOM 481 CZ ARG A 30 -2.271 -2.051 -11.095 1.00 11.11 C ATOM 482 NH1 ARG A 30 -2.196 -2.930 -12.085 1.00 13.44 N ATOM 483 NH2 ARG A 30 -3.129 -1.042 -11.173 1.00 23.34 N ATOM 0 H ARG A 30 -0.437 -4.714 -4.574 1.00 64.03 H new ATOM 0 HA ARG A 30 0.617 -2.495 -6.140 1.00 73.32 H new ATOM 0 HB2 ARG A 30 -0.183 -4.892 -7.415 1.00 42.32 H new ATOM 0 HB3 ARG A 30 -1.542 -3.801 -7.597 1.00 42.32 H new ATOM 0 HG2 ARG A 30 0.382 -2.082 -8.308 1.00 60.52 H new ATOM 0 HG3 ARG A 30 1.246 -3.561 -8.679 1.00 60.52 H new ATOM 0 HD2 ARG A 30 0.178 -3.249 -10.697 1.00 72.15 H new ATOM 0 HD3 ARG A 30 -1.038 -4.217 -9.888 1.00 72.15 H new ATOM 0 HE ARG A 30 -1.574 -1.486 -9.283 1.00 4.05 H new ATOM 0 HH11 ARG A 30 -1.538 -3.707 -12.028 1.00 13.44 H new ATOM 0 HH12 ARG A 30 -2.796 -2.829 -12.903 1.00 13.44 H new ATOM 0 HH21 ARG A 30 -3.190 -0.364 -10.413 1.00 23.34 H new ATOM 0 HH22 ARG A 30 -3.728 -0.944 -11.993 1.00 23.34 H new ATOM 497 N LEU A 31 -1.813 -1.459 -6.126 1.00 51.24 N ATOM 498 CA LEU A 31 -2.991 -0.710 -5.701 1.00 45.23 C ATOM 499 C LEU A 31 -4.180 -1.642 -5.487 1.00 43.40 C ATOM 500 O LEU A 31 -5.018 -1.407 -4.616 1.00 55.42 O ATOM 501 CB LEU A 31 -3.345 0.356 -6.739 1.00 14.11 C ATOM 502 CG LEU A 31 -3.161 1.809 -6.298 1.00 71.42 C ATOM 503 CD1 LEU A 31 -1.704 2.225 -6.422 1.00 52.14 C ATOM 504 CD2 LEU A 31 -4.053 2.732 -7.117 1.00 22.42 C ATOM 0 H LEU A 31 -1.335 -1.068 -6.937 1.00 51.24 H new ATOM 0 HA LEU A 31 -2.759 -0.223 -4.754 1.00 45.23 H new ATOM 0 HB2 LEU A 31 -2.736 0.187 -7.627 1.00 14.11 H new ATOM 0 HB3 LEU A 31 -4.385 0.216 -7.035 1.00 14.11 H new ATOM 0 HG LEU A 31 -3.452 1.890 -5.251 1.00 71.42 H new ATOM 0 HD11 LEU A 31 -1.593 3.262 -6.104 1.00 52.14 H new ATOM 0 HD12 LEU A 31 -1.088 1.584 -5.792 1.00 52.14 H new ATOM 0 HD13 LEU A 31 -1.385 2.128 -7.460 1.00 52.14 H new ATOM 0 HD21 LEU A 31 -3.909 3.762 -6.790 1.00 22.42 H new ATOM 0 HD22 LEU A 31 -3.793 2.647 -8.172 1.00 22.42 H new ATOM 0 HD23 LEU A 31 -5.096 2.449 -6.976 1.00 22.42 H new ATOM 516 N LYS A 32 -4.247 -2.700 -6.286 1.00 24.41 N ATOM 517 CA LYS A 32 -5.331 -3.670 -6.184 1.00 40.13 C ATOM 518 C LYS A 32 -5.481 -4.168 -4.749 1.00 3.51 C ATOM 519 O LYS A 32 -6.583 -4.179 -4.198 1.00 74.33 O ATOM 520 CB LYS A 32 -5.075 -4.852 -7.121 1.00 44.11 C ATOM 521 CG LYS A 32 -6.328 -5.359 -7.815 1.00 33.35 C ATOM 522 CD LYS A 32 -6.649 -6.789 -7.414 1.00 51.22 C ATOM 523 CE LYS A 32 -7.964 -7.256 -8.017 1.00 43.00 C ATOM 524 NZ LYS A 32 -8.678 -8.207 -7.121 1.00 64.43 N ATOM 0 H LYS A 32 -3.562 -2.908 -7.013 1.00 24.41 H new ATOM 0 HA LYS A 32 -6.257 -3.176 -6.478 1.00 40.13 H new ATOM 0 HB2 LYS A 32 -4.346 -4.556 -7.875 1.00 44.11 H new ATOM 0 HB3 LYS A 32 -4.630 -5.667 -6.551 1.00 44.11 H new ATOM 0 HG2 LYS A 32 -7.170 -4.713 -7.566 1.00 33.35 H new ATOM 0 HG3 LYS A 32 -6.194 -5.305 -8.895 1.00 33.35 H new ATOM 0 HD2 LYS A 32 -5.844 -7.448 -7.739 1.00 51.22 H new ATOM 0 HD3 LYS A 32 -6.700 -6.860 -6.328 1.00 51.22 H new ATOM 0 HE2 LYS A 32 -8.601 -6.393 -8.212 1.00 43.00 H new ATOM 0 HE3 LYS A 32 -7.773 -7.735 -8.977 1.00 43.00 H new ATOM 0 HZ1 LYS A 32 -9.570 -8.502 -7.568 1.00 64.43 H new ATOM 0 HZ2 LYS A 32 -8.081 -9.042 -6.955 1.00 64.43 H new ATOM 0 HZ3 LYS A 32 -8.883 -7.742 -6.214 1.00 64.43 H new ATOM 538 N HIS A 33 -4.368 -4.577 -4.150 1.00 35.12 N ATOM 539 CA HIS A 33 -4.375 -5.075 -2.778 1.00 15.54 C ATOM 540 C HIS A 33 -4.777 -3.971 -1.804 1.00 31.02 C ATOM 541 O HIS A 33 -5.351 -4.312 -0.770 1.00 51.14 O ATOM 542 CB HIS A 33 -2.998 -5.624 -2.405 1.00 55.02 C ATOM 543 CG HIS A 33 -2.487 -6.660 -3.359 1.00 64.40 C ATOM 544 ND1 HIS A 33 -1.411 -6.449 -4.195 1.00 42.35 N ATOM 545 CD2 HIS A 33 -2.912 -7.921 -3.607 1.00 24.21 C ATOM 546 CE1 HIS A 33 -1.196 -7.536 -4.914 1.00 4.55 C ATOM 547 NE2 HIS A 33 -2.094 -8.444 -4.577 1.00 51.51 N ATOM 0 H HIS A 33 -3.449 -4.574 -4.592 1.00 35.12 H new ATOM 0 HA HIS A 33 -5.107 -5.880 -2.712 1.00 15.54 H new ATOM 0 HB2 HIS A 33 -2.287 -4.799 -2.362 1.00 55.02 H new ATOM 0 HB3 HIS A 33 -3.047 -6.055 -1.405 1.00 55.02 H new ATOM 0 HD2 HIS A 33 -3.741 -8.423 -3.130 1.00 24.21 H new ATOM 0 HE1 HIS A 33 -0.418 -7.661 -5.652 1.00 4.55 H new ATOM 0 HE2 HIS A 33 -2.168 -9.381 -4.973 1.00 51.51 H new ATOM 555 N ILE A 34 -4.501 -2.705 -2.095 1.00 52.50 N ATOM 556 CA ILE A 34 -4.866 -1.617 -1.195 1.00 21.25 C ATOM 557 C ILE A 34 -6.374 -1.389 -1.193 1.00 31.30 C ATOM 558 O ILE A 34 -6.968 -1.103 -0.154 1.00 71.31 O ATOM 559 CB ILE A 34 -4.160 -0.305 -1.582 1.00 24.24 C ATOM 560 CG1 ILE A 34 -2.686 -0.567 -1.898 1.00 60.52 C ATOM 561 CG2 ILE A 34 -4.294 0.718 -0.464 1.00 21.22 C ATOM 562 CD1 ILE A 34 -1.894 0.691 -2.175 1.00 51.51 C ATOM 0 H ILE A 34 -4.026 -2.407 -2.947 1.00 52.50 H new ATOM 0 HA ILE A 34 -4.544 -1.912 -0.196 1.00 21.25 H new ATOM 0 HB ILE A 34 -4.637 0.097 -2.476 1.00 24.24 H new ATOM 0 HG12 ILE A 34 -2.232 -1.095 -1.060 1.00 60.52 H new ATOM 0 HG13 ILE A 34 -2.620 -1.226 -2.764 1.00 60.52 H new ATOM 0 HG21 ILE A 34 -3.790 1.640 -0.752 1.00 21.22 H new ATOM 0 HG22 ILE A 34 -5.349 0.923 -0.283 1.00 21.22 H new ATOM 0 HG23 ILE A 34 -3.839 0.325 0.445 1.00 21.22 H new ATOM 0 HD11 ILE A 34 -0.858 0.429 -2.391 1.00 51.51 H new ATOM 0 HD12 ILE A 34 -2.323 1.210 -3.032 1.00 51.51 H new ATOM 0 HD13 ILE A 34 -1.929 1.342 -1.302 1.00 51.51 H new ATOM 574 N VAL A 35 -6.989 -1.519 -2.365 1.00 74.15 N ATOM 575 CA VAL A 35 -8.428 -1.329 -2.499 1.00 64.02 C ATOM 576 C VAL A 35 -9.196 -2.329 -1.641 1.00 72.40 C ATOM 577 O VAL A 35 -10.140 -1.965 -0.941 1.00 1.52 O ATOM 578 CB VAL A 35 -8.880 -1.474 -3.964 1.00 32.42 C ATOM 579 CG1 VAL A 35 -10.388 -1.314 -4.076 1.00 12.53 C ATOM 580 CG2 VAL A 35 -8.160 -0.463 -4.845 1.00 61.10 C ATOM 0 H VAL A 35 -6.512 -1.755 -3.235 1.00 74.15 H new ATOM 0 HA VAL A 35 -8.647 -0.317 -2.158 1.00 64.02 H new ATOM 0 HB VAL A 35 -8.619 -2.474 -4.310 1.00 32.42 H new ATOM 0 HG11 VAL A 35 -10.689 -1.420 -5.118 1.00 12.53 H new ATOM 0 HG12 VAL A 35 -10.881 -2.080 -3.477 1.00 12.53 H new ATOM 0 HG13 VAL A 35 -10.677 -0.328 -3.713 1.00 12.53 H new ATOM 0 HG21 VAL A 35 -8.491 -0.579 -5.877 1.00 61.10 H new ATOM 0 HG22 VAL A 35 -8.388 0.546 -4.502 1.00 61.10 H new ATOM 0 HG23 VAL A 35 -7.085 -0.631 -4.788 1.00 61.10 H new ATOM 590 N TRP A 36 -8.783 -3.590 -1.699 1.00 33.33 N ATOM 591 CA TRP A 36 -9.432 -4.643 -0.927 1.00 63.30 C ATOM 592 C TRP A 36 -9.282 -4.392 0.570 1.00 21.54 C ATOM 593 O TRP A 36 -10.149 -4.762 1.360 1.00 54.13 O ATOM 594 CB TRP A 36 -8.843 -6.007 -1.290 1.00 11.20 C ATOM 595 CG TRP A 36 -9.466 -7.143 -0.537 1.00 54.01 C ATOM 596 CD1 TRP A 36 -10.568 -7.863 -0.903 1.00 53.34 C ATOM 597 CD2 TRP A 36 -9.026 -7.688 0.712 1.00 34.05 C ATOM 598 NE1 TRP A 36 -10.838 -8.822 0.043 1.00 61.22 N ATOM 599 CE2 TRP A 36 -9.905 -8.736 1.043 1.00 25.30 C ATOM 600 CE3 TRP A 36 -7.972 -7.394 1.581 1.00 55.32 C ATOM 601 CZ2 TRP A 36 -9.763 -9.488 2.206 1.00 60.14 C ATOM 602 CZ3 TRP A 36 -7.831 -8.141 2.736 1.00 1.05 C ATOM 603 CH2 TRP A 36 -8.723 -9.179 3.039 1.00 11.33 C ATOM 0 H TRP A 36 -8.002 -3.908 -2.273 1.00 33.33 H new ATOM 0 HA TRP A 36 -10.494 -4.637 -1.172 1.00 63.30 H new ATOM 0 HB2 TRP A 36 -8.970 -6.176 -2.359 1.00 11.20 H new ATOM 0 HB3 TRP A 36 -7.771 -5.995 -1.094 1.00 11.20 H new ATOM 0 HD1 TRP A 36 -11.142 -7.702 -1.803 1.00 53.34 H new ATOM 0 HE1 TRP A 36 -11.608 -9.490 0.007 1.00 61.22 H new ATOM 0 HE3 TRP A 36 -7.279 -6.597 1.354 1.00 55.32 H new ATOM 0 HZ2 TRP A 36 -10.450 -10.287 2.442 1.00 60.14 H new ATOM 0 HZ3 TRP A 36 -7.021 -7.921 3.415 1.00 1.05 H new ATOM 0 HH2 TRP A 36 -8.586 -9.746 3.948 1.00 11.33 H new ATOM 614 N ALA A 37 -8.177 -3.761 0.951 1.00 72.14 N ATOM 615 CA ALA A 37 -7.914 -3.459 2.353 1.00 4.51 C ATOM 616 C ALA A 37 -8.809 -2.327 2.847 1.00 25.43 C ATOM 617 O ALA A 37 -9.509 -2.468 3.849 1.00 22.30 O ATOM 618 CB ALA A 37 -6.449 -3.100 2.551 1.00 11.03 C ATOM 0 H ALA A 37 -7.449 -3.449 0.309 1.00 72.14 H new ATOM 0 HA ALA A 37 -8.140 -4.350 2.939 1.00 4.51 H new ATOM 0 HB1 ALA A 37 -6.268 -2.877 3.602 1.00 11.03 H new ATOM 0 HB2 ALA A 37 -5.824 -3.939 2.245 1.00 11.03 H new ATOM 0 HB3 ALA A 37 -6.204 -2.226 1.947 1.00 11.03 H new ATOM 624 N ALA A 38 -8.781 -1.204 2.137 1.00 54.35 N ATOM 625 CA ALA A 38 -9.590 -0.048 2.503 1.00 23.32 C ATOM 626 C ALA A 38 -11.049 -0.442 2.706 1.00 4.43 C ATOM 627 O ALA A 38 -11.720 0.064 3.605 1.00 1.54 O ATOM 628 CB ALA A 38 -9.476 1.034 1.440 1.00 3.05 C ATOM 0 H ALA A 38 -8.207 -1.070 1.305 1.00 54.35 H new ATOM 0 HA ALA A 38 -9.212 0.345 3.447 1.00 23.32 H new ATOM 0 HB1 ALA A 38 -10.085 1.891 1.727 1.00 3.05 H new ATOM 0 HB2 ALA A 38 -8.435 1.344 1.346 1.00 3.05 H new ATOM 0 HB3 ALA A 38 -9.826 0.643 0.484 1.00 3.05 H new ATOM 634 N ASN A 39 -11.535 -1.348 1.863 1.00 43.13 N ATOM 635 CA ASN A 39 -12.916 -1.809 1.950 1.00 11.43 C ATOM 636 C ASN A 39 -13.220 -2.358 3.340 1.00 24.31 C ATOM 637 O ASN A 39 -14.332 -2.209 3.849 1.00 23.42 O ATOM 638 CB ASN A 39 -13.184 -2.884 0.895 1.00 13.34 C ATOM 639 CG ASN A 39 -14.633 -3.330 0.877 1.00 70.22 C ATOM 640 OD1 ASN A 39 -15.546 -2.508 0.796 1.00 43.05 O ATOM 641 ND2 ASN A 39 -14.851 -4.637 0.954 1.00 74.14 N ATOM 0 H ASN A 39 -10.993 -1.777 1.113 1.00 43.13 H new ATOM 0 HA ASN A 39 -13.570 -0.957 1.765 1.00 11.43 H new ATOM 0 HB2 ASN A 39 -12.913 -2.499 -0.088 1.00 13.34 H new ATOM 0 HB3 ASN A 39 -12.544 -3.745 1.088 1.00 13.34 H new ATOM 0 HD21 ASN A 39 -15.806 -4.996 0.947 1.00 74.14 H new ATOM 0 HD22 ASN A 39 -14.064 -5.282 1.020 1.00 74.14 H new ATOM 648 N LYS A 40 -12.226 -2.992 3.950 1.00 74.43 N ATOM 649 CA LYS A 40 -12.384 -3.562 5.283 1.00 61.40 C ATOM 650 C LYS A 40 -12.410 -2.468 6.344 1.00 15.42 C ATOM 651 O LYS A 40 -13.257 -2.474 7.238 1.00 73.11 O ATOM 652 CB LYS A 40 -11.250 -4.547 5.578 1.00 22.24 C ATOM 653 CG LYS A 40 -11.733 -5.904 6.061 1.00 72.00 C ATOM 654 CD LYS A 40 -12.299 -6.734 4.920 1.00 54.35 C ATOM 655 CE LYS A 40 -13.645 -7.339 5.286 1.00 3.33 C ATOM 656 NZ LYS A 40 -14.570 -7.381 4.119 1.00 74.50 N ATOM 0 H LYS A 40 -11.300 -3.125 3.542 1.00 74.43 H new ATOM 0 HA LYS A 40 -13.335 -4.094 5.312 1.00 61.40 H new ATOM 0 HB2 LYS A 40 -10.654 -4.683 4.675 1.00 22.24 H new ATOM 0 HB3 LYS A 40 -10.592 -4.115 6.332 1.00 22.24 H new ATOM 0 HG2 LYS A 40 -10.907 -6.440 6.527 1.00 72.00 H new ATOM 0 HG3 LYS A 40 -12.497 -5.768 6.827 1.00 72.00 H new ATOM 0 HD2 LYS A 40 -12.409 -6.109 4.034 1.00 54.35 H new ATOM 0 HD3 LYS A 40 -11.599 -7.529 4.665 1.00 54.35 H new ATOM 0 HE2 LYS A 40 -13.497 -8.349 5.669 1.00 3.33 H new ATOM 0 HE3 LYS A 40 -14.099 -6.757 6.088 1.00 3.33 H new ATOM 0 HZ1 LYS A 40 -15.476 -7.800 4.409 1.00 74.50 H new ATOM 0 HZ2 LYS A 40 -14.731 -6.415 3.769 1.00 74.50 H new ATOM 0 HZ3 LYS A 40 -14.149 -7.957 3.363 1.00 74.50 H new ATOM 670 N LEU A 41 -11.477 -1.527 6.239 1.00 31.42 N ATOM 671 CA LEU A 41 -11.392 -0.423 7.189 1.00 25.44 C ATOM 672 C LEU A 41 -12.743 0.270 7.339 1.00 3.21 C ATOM 673 O LEU A 41 -13.050 0.832 8.390 1.00 11.45 O ATOM 674 CB LEU A 41 -10.336 0.585 6.736 1.00 51.31 C ATOM 675 CG LEU A 41 -8.925 0.034 6.533 1.00 35.31 C ATOM 676 CD1 LEU A 41 -8.061 1.037 5.785 1.00 4.44 C ATOM 677 CD2 LEU A 41 -8.293 -0.325 7.870 1.00 41.32 C ATOM 0 H LEU A 41 -10.769 -1.507 5.505 1.00 31.42 H new ATOM 0 HA LEU A 41 -11.103 -0.830 8.158 1.00 25.44 H new ATOM 0 HB2 LEU A 41 -10.668 1.032 5.799 1.00 51.31 H new ATOM 0 HB3 LEU A 41 -10.289 1.387 7.473 1.00 51.31 H new ATOM 0 HG LEU A 41 -8.995 -0.873 5.932 1.00 35.31 H new ATOM 0 HD11 LEU A 41 -7.060 0.626 5.650 1.00 4.44 H new ATOM 0 HD12 LEU A 41 -8.503 1.242 4.810 1.00 4.44 H new ATOM 0 HD13 LEU A 41 -7.999 1.962 6.358 1.00 4.44 H new ATOM 0 HD21 LEU A 41 -7.289 -0.715 7.705 1.00 41.32 H new ATOM 0 HD22 LEU A 41 -8.238 0.565 8.497 1.00 41.32 H new ATOM 0 HD23 LEU A 41 -8.899 -1.082 8.367 1.00 41.32 H new ATOM 689 N ASP A 42 -13.547 0.224 6.281 1.00 54.42 N ATOM 690 CA ASP A 42 -14.865 0.846 6.296 1.00 23.20 C ATOM 691 C ASP A 42 -15.845 0.023 7.127 1.00 73.35 C ATOM 692 O ASP A 42 -16.475 0.537 8.052 1.00 11.40 O ATOM 693 CB ASP A 42 -15.394 1.003 4.870 1.00 24.24 C ATOM 694 CG ASP A 42 -16.689 1.790 4.816 1.00 21.32 C ATOM 695 OD1 ASP A 42 -17.756 1.197 5.084 1.00 3.42 O ATOM 696 OD2 ASP A 42 -16.636 2.998 4.507 1.00 21.23 O ATOM 0 H ASP A 42 -13.308 -0.238 5.403 1.00 54.42 H new ATOM 0 HA ASP A 42 -14.769 1.832 6.751 1.00 23.20 H new ATOM 0 HB2 ASP A 42 -14.642 1.504 4.260 1.00 24.24 H new ATOM 0 HB3 ASP A 42 -15.553 0.017 4.434 1.00 24.24 H new ATOM 701 N ARG A 43 -15.968 -1.257 6.792 1.00 74.21 N ATOM 702 CA ARG A 43 -16.871 -2.150 7.506 1.00 72.42 C ATOM 703 C ARG A 43 -16.665 -2.042 9.014 1.00 13.40 C ATOM 704 O ARG A 43 -17.582 -2.292 9.797 1.00 21.44 O ATOM 705 CB ARG A 43 -16.655 -3.596 7.055 1.00 22.11 C ATOM 706 CG ARG A 43 -17.597 -4.035 5.945 1.00 51.32 C ATOM 707 CD ARG A 43 -18.659 -4.993 6.461 1.00 71.13 C ATOM 708 NE ARG A 43 -19.717 -4.297 7.189 1.00 24.11 N ATOM 709 CZ ARG A 43 -20.864 -4.866 7.540 1.00 63.45 C ATOM 710 NH1 ARG A 43 -21.100 -6.134 7.234 1.00 64.41 N ATOM 711 NH2 ARG A 43 -21.779 -4.167 8.202 1.00 13.03 N ATOM 0 H ARG A 43 -15.453 -1.699 6.030 1.00 74.21 H new ATOM 0 HA ARG A 43 -17.893 -1.852 7.274 1.00 72.42 H new ATOM 0 HB2 ARG A 43 -15.626 -3.711 6.714 1.00 22.11 H new ATOM 0 HB3 ARG A 43 -16.783 -4.258 7.912 1.00 22.11 H new ATOM 0 HG2 ARG A 43 -18.077 -3.160 5.507 1.00 51.32 H new ATOM 0 HG3 ARG A 43 -17.026 -4.517 5.151 1.00 51.32 H new ATOM 0 HD2 ARG A 43 -19.094 -5.538 5.623 1.00 71.13 H new ATOM 0 HD3 ARG A 43 -18.194 -5.731 7.115 1.00 71.13 H new ATOM 0 HE ARG A 43 -19.566 -3.320 7.442 1.00 24.11 H new ATOM 0 HH11 ARG A 43 -20.399 -6.675 6.728 1.00 64.41 H new ATOM 0 HH12 ARG A 43 -21.982 -6.568 7.505 1.00 64.41 H new ATOM 0 HH21 ARG A 43 -21.601 -3.192 8.441 1.00 13.03 H new ATOM 0 HH22 ARG A 43 -22.660 -4.606 8.471 1.00 13.03 H new ATOM 725 N PHE A 44 -15.455 -1.666 9.415 1.00 12.42 N ATOM 726 CA PHE A 44 -15.127 -1.525 10.829 1.00 2.53 C ATOM 727 C PHE A 44 -15.305 -0.080 11.286 1.00 62.22 C ATOM 728 O PHE A 44 -15.904 0.184 12.327 1.00 64.43 O ATOM 729 CB PHE A 44 -13.691 -1.981 11.089 1.00 50.12 C ATOM 730 CG PHE A 44 -13.510 -3.469 11.000 1.00 34.40 C ATOM 731 CD1 PHE A 44 -14.280 -4.323 11.773 1.00 1.30 C ATOM 732 CD2 PHE A 44 -12.568 -4.016 10.143 1.00 0.03 C ATOM 733 CE1 PHE A 44 -14.115 -5.692 11.694 1.00 33.02 C ATOM 734 CE2 PHE A 44 -12.399 -5.385 10.058 1.00 33.04 C ATOM 735 CZ PHE A 44 -13.173 -6.225 10.834 1.00 11.53 C ATOM 0 H PHE A 44 -14.685 -1.453 8.781 1.00 12.42 H new ATOM 0 HA PHE A 44 -15.809 -2.155 11.400 1.00 2.53 H new ATOM 0 HB2 PHE A 44 -13.029 -1.499 10.370 1.00 50.12 H new ATOM 0 HB3 PHE A 44 -13.385 -1.644 12.079 1.00 50.12 H new ATOM 0 HD1 PHE A 44 -15.019 -3.913 12.446 1.00 1.30 H new ATOM 0 HD2 PHE A 44 -11.959 -3.364 9.534 1.00 0.03 H new ATOM 0 HE1 PHE A 44 -14.721 -6.346 12.304 1.00 33.02 H new ATOM 0 HE2 PHE A 44 -11.662 -5.798 9.385 1.00 33.04 H new ATOM 0 HZ PHE A 44 -13.043 -7.295 10.769 1.00 11.53 H new ATOM 745 N GLY A 45 -14.777 0.854 10.500 1.00 34.45 N ATOM 746 CA GLY A 45 -14.886 2.260 10.841 1.00 31.03 C ATOM 747 C GLY A 45 -13.638 3.042 10.484 1.00 72.32 C ATOM 748 O GLY A 45 -13.718 4.134 9.922 1.00 43.14 O ATOM 0 H GLY A 45 -14.276 0.661 9.633 1.00 34.45 H new ATOM 0 HA2 GLY A 45 -15.742 2.691 10.322 1.00 31.03 H new ATOM 0 HA3 GLY A 45 -15.079 2.358 11.909 1.00 31.03 H new ATOM 752 N LEU A 46 -12.478 2.482 10.813 1.00 71.12 N ATOM 753 CA LEU A 46 -11.206 3.135 10.526 1.00 33.00 C ATOM 754 C LEU A 46 -11.208 3.741 9.127 1.00 42.31 C ATOM 755 O LEU A 46 -11.617 3.097 8.161 1.00 14.35 O ATOM 756 CB LEU A 46 -10.055 2.135 10.659 1.00 63.43 C ATOM 757 CG LEU A 46 -9.235 2.223 11.946 1.00 50.01 C ATOM 758 CD1 LEU A 46 -9.162 0.864 12.627 1.00 4.42 C ATOM 759 CD2 LEU A 46 -7.837 2.749 11.653 1.00 21.03 C ATOM 0 H LEU A 46 -12.393 1.578 11.278 1.00 71.12 H new ATOM 0 HA LEU A 46 -11.067 3.938 11.250 1.00 33.00 H new ATOM 0 HB2 LEU A 46 -10.464 1.128 10.581 1.00 63.43 H new ATOM 0 HB3 LEU A 46 -9.382 2.272 9.813 1.00 63.43 H new ATOM 0 HG LEU A 46 -9.730 2.920 12.622 1.00 50.01 H new ATOM 0 HD11 LEU A 46 -8.574 0.946 13.541 1.00 4.42 H new ATOM 0 HD12 LEU A 46 -10.169 0.525 12.872 1.00 4.42 H new ATOM 0 HD13 LEU A 46 -8.691 0.146 11.956 1.00 4.42 H new ATOM 0 HD21 LEU A 46 -7.267 2.805 12.581 1.00 21.03 H new ATOM 0 HD22 LEU A 46 -7.334 2.077 10.958 1.00 21.03 H new ATOM 0 HD23 LEU A 46 -7.907 3.742 11.210 1.00 21.03 H new ATOM 771 N ALA A 47 -10.748 4.984 9.025 1.00 34.43 N ATOM 772 CA ALA A 47 -10.693 5.676 7.744 1.00 11.03 C ATOM 773 C ALA A 47 -9.570 5.126 6.871 1.00 13.25 C ATOM 774 O ALA A 47 -8.462 4.886 7.348 1.00 21.43 O ATOM 775 CB ALA A 47 -10.513 7.172 7.958 1.00 74.54 C ATOM 0 H ALA A 47 -10.408 5.532 9.815 1.00 34.43 H new ATOM 0 HA ALA A 47 -11.637 5.506 7.227 1.00 11.03 H new ATOM 0 HB1 ALA A 47 -10.474 7.676 6.992 1.00 74.54 H new ATOM 0 HB2 ALA A 47 -11.352 7.560 8.536 1.00 74.54 H new ATOM 0 HB3 ALA A 47 -9.585 7.353 8.500 1.00 74.54 H new ATOM 781 N GLU A 48 -9.865 4.930 5.589 1.00 53.32 N ATOM 782 CA GLU A 48 -8.879 4.406 4.651 1.00 15.54 C ATOM 783 C GLU A 48 -7.734 5.397 4.455 1.00 74.14 C ATOM 784 O GLU A 48 -6.651 5.028 4.002 1.00 75.55 O ATOM 785 CB GLU A 48 -9.537 4.100 3.303 1.00 74.22 C ATOM 786 CG GLU A 48 -10.246 5.294 2.687 1.00 63.43 C ATOM 787 CD GLU A 48 -11.580 4.923 2.067 1.00 41.21 C ATOM 788 OE1 GLU A 48 -11.627 3.929 1.313 1.00 31.22 O ATOM 789 OE2 GLU A 48 -12.575 5.628 2.335 1.00 64.42 O ATOM 0 H GLU A 48 -10.777 5.126 5.177 1.00 53.32 H new ATOM 0 HA GLU A 48 -8.473 3.484 5.068 1.00 15.54 H new ATOM 0 HB2 GLU A 48 -8.776 3.743 2.609 1.00 74.22 H new ATOM 0 HB3 GLU A 48 -10.254 3.290 3.434 1.00 74.22 H new ATOM 0 HG2 GLU A 48 -10.404 6.053 3.453 1.00 63.43 H new ATOM 0 HG3 GLU A 48 -9.606 5.739 1.925 1.00 63.43 H new ATOM 796 N SER A 49 -7.983 6.656 4.801 1.00 31.54 N ATOM 797 CA SER A 49 -6.975 7.701 4.661 1.00 22.52 C ATOM 798 C SER A 49 -5.819 7.474 5.630 1.00 4.41 C ATOM 799 O SER A 49 -4.772 8.114 5.526 1.00 4.21 O ATOM 800 CB SER A 49 -7.599 9.076 4.905 1.00 53.13 C ATOM 801 OG SER A 49 -7.833 9.292 6.286 1.00 62.11 O ATOM 0 H SER A 49 -8.874 6.977 5.180 1.00 31.54 H new ATOM 0 HA SER A 49 -6.585 7.662 3.644 1.00 22.52 H new ATOM 0 HB2 SER A 49 -6.938 9.852 4.519 1.00 53.13 H new ATOM 0 HB3 SER A 49 -8.538 9.155 4.357 1.00 53.13 H new ATOM 0 HG SER A 49 -8.231 10.178 6.416 1.00 62.11 H new ATOM 807 N LEU A 50 -6.017 6.560 6.573 1.00 24.04 N ATOM 808 CA LEU A 50 -4.992 6.247 7.562 1.00 73.23 C ATOM 809 C LEU A 50 -3.959 5.282 6.990 1.00 73.31 C ATOM 810 O LEU A 50 -3.026 4.871 7.683 1.00 20.43 O ATOM 811 CB LEU A 50 -5.631 5.645 8.815 1.00 33.34 C ATOM 812 CG LEU A 50 -6.457 6.603 9.674 1.00 31.11 C ATOM 813 CD1 LEU A 50 -7.213 5.838 10.750 1.00 3.33 C ATOM 814 CD2 LEU A 50 -5.564 7.664 10.299 1.00 61.12 C ATOM 0 H LEU A 50 -6.878 6.023 6.674 1.00 24.04 H new ATOM 0 HA LEU A 50 -4.486 7.174 7.830 1.00 73.23 H new ATOM 0 HB2 LEU A 50 -6.272 4.818 8.510 1.00 33.34 H new ATOM 0 HB3 LEU A 50 -4.840 5.223 9.435 1.00 33.34 H new ATOM 0 HG LEU A 50 -7.184 7.101 9.032 1.00 31.11 H new ATOM 0 HD11 LEU A 50 -7.795 6.536 11.352 1.00 3.33 H new ATOM 0 HD12 LEU A 50 -7.883 5.117 10.281 1.00 3.33 H new ATOM 0 HD13 LEU A 50 -6.504 5.312 11.389 1.00 3.33 H new ATOM 0 HD21 LEU A 50 -6.169 8.337 10.907 1.00 61.12 H new ATOM 0 HD22 LEU A 50 -4.813 7.184 10.927 1.00 61.12 H new ATOM 0 HD23 LEU A 50 -5.069 8.233 9.512 1.00 61.12 H new ATOM 826 N LEU A 51 -4.129 4.925 5.722 1.00 34.42 N ATOM 827 CA LEU A 51 -3.210 4.010 5.055 1.00 74.43 C ATOM 828 C LEU A 51 -1.953 4.740 4.594 1.00 23.44 C ATOM 829 O LEU A 51 -1.056 4.139 4.004 1.00 60.21 O ATOM 830 CB LEU A 51 -3.897 3.348 3.859 1.00 61.44 C ATOM 831 CG LEU A 51 -4.624 2.033 4.147 1.00 11.33 C ATOM 832 CD1 LEU A 51 -5.751 1.817 3.148 1.00 45.13 C ATOM 833 CD2 LEU A 51 -3.649 0.866 4.112 1.00 72.23 C ATOM 0 H LEU A 51 -4.895 5.255 5.135 1.00 34.42 H new ATOM 0 HA LEU A 51 -2.919 3.241 5.771 1.00 74.43 H new ATOM 0 HB2 LEU A 51 -4.615 4.054 3.442 1.00 61.44 H new ATOM 0 HB3 LEU A 51 -3.147 3.165 3.090 1.00 61.44 H new ATOM 0 HG LEU A 51 -5.056 2.090 5.146 1.00 11.33 H new ATOM 0 HD11 LEU A 51 -6.257 0.877 3.368 1.00 45.13 H new ATOM 0 HD12 LEU A 51 -6.464 2.638 3.220 1.00 45.13 H new ATOM 0 HD13 LEU A 51 -5.341 1.781 2.139 1.00 45.13 H new ATOM 0 HD21 LEU A 51 -4.184 -0.061 4.319 1.00 72.23 H new ATOM 0 HD22 LEU A 51 -3.188 0.807 3.126 1.00 72.23 H new ATOM 0 HD23 LEU A 51 -2.876 1.015 4.866 1.00 72.23 H new ATOM 845 N GLU A 52 -1.895 6.039 4.868 1.00 5.14 N ATOM 846 CA GLU A 52 -0.747 6.851 4.481 1.00 40.23 C ATOM 847 C GLU A 52 -0.044 7.419 5.710 1.00 61.52 C ATOM 848 O GLU A 52 0.458 8.542 5.688 1.00 11.35 O ATOM 849 CB GLU A 52 -1.187 7.990 3.559 1.00 40.21 C ATOM 850 CG GLU A 52 -2.362 8.789 4.098 1.00 3.04 C ATOM 851 CD GLU A 52 -2.374 10.220 3.595 1.00 64.44 C ATOM 852 OE1 GLU A 52 -1.471 10.580 2.812 1.00 53.04 O ATOM 853 OE2 GLU A 52 -3.286 10.979 3.986 1.00 74.52 O ATOM 0 H GLU A 52 -2.629 6.552 5.356 1.00 5.14 H new ATOM 0 HA GLU A 52 -0.045 6.211 3.946 1.00 40.23 H new ATOM 0 HB2 GLU A 52 -0.344 8.662 3.398 1.00 40.21 H new ATOM 0 HB3 GLU A 52 -1.455 7.576 2.587 1.00 40.21 H new ATOM 0 HG2 GLU A 52 -3.292 8.299 3.811 1.00 3.04 H new ATOM 0 HG3 GLU A 52 -2.326 8.791 5.187 1.00 3.04 H new ATOM 860 N SER A 53 -0.012 6.633 6.783 1.00 3.24 N ATOM 861 CA SER A 53 0.625 7.059 8.023 1.00 3.22 C ATOM 862 C SER A 53 0.807 5.879 8.972 1.00 35.31 C ATOM 863 O SER A 53 -0.143 5.157 9.274 1.00 63.04 O ATOM 864 CB SER A 53 -0.207 8.149 8.701 1.00 3.43 C ATOM 865 OG SER A 53 -0.532 7.790 10.032 1.00 25.41 O ATOM 0 H SER A 53 -0.420 5.699 6.817 1.00 3.24 H new ATOM 0 HA SER A 53 1.608 7.462 7.778 1.00 3.22 H new ATOM 0 HB2 SER A 53 0.347 9.087 8.699 1.00 3.43 H new ATOM 0 HB3 SER A 53 -1.122 8.318 8.133 1.00 3.43 H new ATOM 0 HG SER A 53 -1.062 8.504 10.443 1.00 25.41 H new ATOM 871 N LYS A 54 2.036 5.689 9.440 1.00 73.11 N ATOM 872 CA LYS A 54 2.346 4.598 10.357 1.00 13.03 C ATOM 873 C LYS A 54 1.388 4.595 11.543 1.00 24.41 C ATOM 874 O LYS A 54 0.828 3.557 11.897 1.00 61.40 O ATOM 875 CB LYS A 54 3.789 4.716 10.854 1.00 2.21 C ATOM 876 CG LYS A 54 4.142 6.100 11.370 1.00 10.44 C ATOM 877 CD LYS A 54 5.619 6.208 11.710 1.00 71.45 C ATOM 878 CE LYS A 54 6.302 7.295 10.894 1.00 72.43 C ATOM 879 NZ LYS A 54 7.213 8.125 11.730 1.00 0.01 N ATOM 0 H LYS A 54 2.834 6.277 9.199 1.00 73.11 H new ATOM 0 HA LYS A 54 2.230 3.659 9.816 1.00 13.03 H new ATOM 0 HB2 LYS A 54 3.951 3.988 11.649 1.00 2.21 H new ATOM 0 HB3 LYS A 54 4.467 4.456 10.041 1.00 2.21 H new ATOM 0 HG2 LYS A 54 3.885 6.846 10.618 1.00 10.44 H new ATOM 0 HG3 LYS A 54 3.547 6.322 12.256 1.00 10.44 H new ATOM 0 HD2 LYS A 54 5.734 6.423 12.772 1.00 71.45 H new ATOM 0 HD3 LYS A 54 6.107 5.251 11.524 1.00 71.45 H new ATOM 0 HE2 LYS A 54 6.869 6.838 10.083 1.00 72.43 H new ATOM 0 HE3 LYS A 54 5.547 7.934 10.435 1.00 72.43 H new ATOM 0 HZ1 LYS A 54 7.659 8.854 11.138 1.00 0.01 H new ATOM 0 HZ2 LYS A 54 6.668 8.581 12.489 1.00 0.01 H new ATOM 0 HZ3 LYS A 54 7.949 7.520 12.147 1.00 0.01 H new ATOM 893 N GLU A 55 1.201 5.762 12.151 1.00 74.23 N ATOM 894 CA GLU A 55 0.309 5.891 13.298 1.00 34.14 C ATOM 895 C GLU A 55 -1.070 5.322 12.980 1.00 60.21 C ATOM 896 O GLU A 55 -1.642 4.574 13.772 1.00 22.21 O ATOM 897 CB GLU A 55 0.185 7.360 13.711 1.00 71.33 C ATOM 898 CG GLU A 55 1.179 7.777 14.782 1.00 61.24 C ATOM 899 CD GLU A 55 0.523 8.518 15.929 1.00 54.25 C ATOM 900 OE1 GLU A 55 -0.312 9.408 15.663 1.00 12.13 O ATOM 901 OE2 GLU A 55 0.844 8.210 17.096 1.00 34.30 O ATOM 0 H GLU A 55 1.655 6.631 11.869 1.00 74.23 H new ATOM 0 HA GLU A 55 0.735 5.323 14.125 1.00 34.14 H new ATOM 0 HB2 GLU A 55 0.326 7.989 12.832 1.00 71.33 H new ATOM 0 HB3 GLU A 55 -0.826 7.542 14.075 1.00 71.33 H new ATOM 0 HG2 GLU A 55 1.684 6.892 15.168 1.00 61.24 H new ATOM 0 HG3 GLU A 55 1.944 8.411 14.335 1.00 61.24 H new ATOM 908 N GLY A 56 -1.599 5.684 11.815 1.00 71.21 N ATOM 909 CA GLY A 56 -2.908 5.201 11.413 1.00 11.22 C ATOM 910 C GLY A 56 -2.941 3.696 11.236 1.00 22.05 C ATOM 911 O GLY A 56 -3.898 3.037 11.645 1.00 42.44 O ATOM 0 H GLY A 56 -1.145 6.303 11.143 1.00 71.21 H new ATOM 0 HA2 GLY A 56 -3.645 5.492 12.162 1.00 11.22 H new ATOM 0 HA3 GLY A 56 -3.197 5.680 10.478 1.00 11.22 H new ATOM 915 N CYS A 57 -1.897 3.151 10.623 1.00 32.12 N ATOM 916 CA CYS A 57 -1.811 1.714 10.390 1.00 23.31 C ATOM 917 C CYS A 57 -1.605 0.961 11.700 1.00 40.32 C ATOM 918 O CYS A 57 -2.039 -0.181 11.846 1.00 33.23 O ATOM 919 CB CYS A 57 -0.669 1.399 9.422 1.00 74.12 C ATOM 920 SG CYS A 57 -1.199 1.141 7.713 1.00 12.32 S ATOM 0 H CYS A 57 -1.098 3.683 10.278 1.00 32.12 H new ATOM 0 HA CYS A 57 -2.752 1.387 9.948 1.00 23.31 H new ATOM 0 HB2 CYS A 57 0.051 2.217 9.448 1.00 74.12 H new ATOM 0 HB3 CYS A 57 -0.149 0.506 9.769 1.00 74.12 H new ATOM 0 HG CYS A 57 -0.799 2.137 6.979 1.00 12.32 H new ATOM 926 N GLN A 58 -0.939 1.610 12.650 1.00 0.31 N ATOM 927 CA GLN A 58 -0.673 1.001 13.949 1.00 24.55 C ATOM 928 C GLN A 58 -1.974 0.634 14.653 1.00 51.14 C ATOM 929 O GLN A 58 -2.082 -0.429 15.268 1.00 3.33 O ATOM 930 CB GLN A 58 0.145 1.952 14.824 1.00 2.22 C ATOM 931 CG GLN A 58 1.180 1.247 15.685 1.00 14.32 C ATOM 932 CD GLN A 58 1.930 2.201 16.593 1.00 72.25 C ATOM 933 OE1 GLN A 58 2.341 3.282 16.174 1.00 40.42 O ATOM 934 NE2 GLN A 58 2.113 1.803 17.848 1.00 43.04 N ATOM 0 H GLN A 58 -0.574 2.557 12.545 1.00 0.31 H new ATOM 0 HA GLN A 58 -0.100 0.088 13.785 1.00 24.55 H new ATOM 0 HB2 GLN A 58 0.649 2.677 14.185 1.00 2.22 H new ATOM 0 HB3 GLN A 58 -0.532 2.512 15.469 1.00 2.22 H new ATOM 0 HG2 GLN A 58 0.686 0.487 16.291 1.00 14.32 H new ATOM 0 HG3 GLN A 58 1.891 0.729 15.041 1.00 14.32 H new ATOM 0 HE21 GLN A 58 1.755 0.898 18.153 1.00 43.04 H new ATOM 0 HE22 GLN A 58 2.611 2.403 18.506 1.00 43.04 H new ATOM 943 N LYS A 59 -2.961 1.520 14.563 1.00 61.25 N ATOM 944 CA LYS A 59 -4.256 1.289 15.192 1.00 3.11 C ATOM 945 C LYS A 59 -5.015 0.174 14.481 1.00 24.13 C ATOM 946 O LYS A 59 -5.953 -0.402 15.033 1.00 40.42 O ATOM 947 CB LYS A 59 -5.087 2.575 15.181 1.00 62.44 C ATOM 948 CG LYS A 59 -5.209 3.232 16.545 1.00 33.41 C ATOM 949 CD LYS A 59 -6.143 4.429 16.505 1.00 45.23 C ATOM 950 CE LYS A 59 -6.873 4.611 17.828 1.00 71.21 C ATOM 951 NZ LYS A 59 -5.970 5.129 18.893 1.00 33.24 N ATOM 0 H LYS A 59 -2.888 2.405 14.060 1.00 61.25 H new ATOM 0 HA LYS A 59 -4.082 0.984 16.224 1.00 3.11 H new ATOM 0 HB2 LYS A 59 -4.637 3.283 14.485 1.00 62.44 H new ATOM 0 HB3 LYS A 59 -6.085 2.350 14.805 1.00 62.44 H new ATOM 0 HG2 LYS A 59 -5.578 2.505 17.268 1.00 33.41 H new ATOM 0 HG3 LYS A 59 -4.224 3.549 16.887 1.00 33.41 H new ATOM 0 HD2 LYS A 59 -5.573 5.329 16.276 1.00 45.23 H new ATOM 0 HD3 LYS A 59 -6.869 4.299 15.702 1.00 45.23 H new ATOM 0 HE2 LYS A 59 -7.706 5.300 17.691 1.00 71.21 H new ATOM 0 HE3 LYS A 59 -7.297 3.657 18.143 1.00 71.21 H new ATOM 0 HZ1 LYS A 59 -6.505 5.239 19.778 1.00 33.24 H new ATOM 0 HZ2 LYS A 59 -5.189 4.459 19.042 1.00 33.24 H new ATOM 0 HZ3 LYS A 59 -5.585 6.051 18.604 1.00 33.24 H new ATOM 965 N ILE A 60 -4.604 -0.126 13.253 1.00 64.01 N ATOM 966 CA ILE A 60 -5.245 -1.174 12.469 1.00 5.42 C ATOM 967 C ILE A 60 -4.786 -2.556 12.919 1.00 34.34 C ATOM 968 O ILE A 60 -5.588 -3.485 13.027 1.00 40.05 O ATOM 969 CB ILE A 60 -4.952 -1.011 10.966 1.00 31.23 C ATOM 970 CG1 ILE A 60 -5.446 0.350 10.472 1.00 3.34 C ATOM 971 CG2 ILE A 60 -5.600 -2.136 10.174 1.00 65.12 C ATOM 972 CD1 ILE A 60 -5.047 0.657 9.044 1.00 61.23 C ATOM 0 H ILE A 60 -3.831 0.342 12.780 1.00 64.01 H new ATOM 0 HA ILE A 60 -6.318 -1.080 12.634 1.00 5.42 H new ATOM 0 HB ILE A 60 -3.874 -1.062 10.814 1.00 31.23 H new ATOM 0 HG12 ILE A 60 -6.533 0.384 10.552 1.00 3.34 H new ATOM 0 HG13 ILE A 60 -5.054 1.129 11.126 1.00 3.34 H new ATOM 0 HG21 ILE A 60 -5.383 -2.006 9.114 1.00 65.12 H new ATOM 0 HG22 ILE A 60 -5.203 -3.094 10.511 1.00 65.12 H new ATOM 0 HG23 ILE A 60 -6.679 -2.116 10.329 1.00 65.12 H new ATOM 0 HD11 ILE A 60 -5.431 1.637 8.762 1.00 61.23 H new ATOM 0 HD12 ILE A 60 -3.960 0.656 8.962 1.00 61.23 H new ATOM 0 HD13 ILE A 60 -5.462 -0.101 8.379 1.00 61.23 H new ATOM 984 N LEU A 61 -3.489 -2.687 13.179 1.00 50.34 N ATOM 985 CA LEU A 61 -2.922 -3.956 13.619 1.00 73.32 C ATOM 986 C LEU A 61 -3.521 -4.387 14.954 1.00 23.23 C ATOM 987 O LEU A 61 -3.829 -5.563 15.158 1.00 1.20 O ATOM 988 CB LEU A 61 -1.401 -3.841 13.744 1.00 41.15 C ATOM 989 CG LEU A 61 -0.629 -3.690 12.434 1.00 2.14 C ATOM 990 CD1 LEU A 61 0.868 -3.643 12.697 1.00 64.43 C ATOM 991 CD2 LEU A 61 -0.970 -4.826 11.480 1.00 5.44 C ATOM 0 H LEU A 61 -2.811 -1.930 13.092 1.00 50.34 H new ATOM 0 HA LEU A 61 -3.164 -4.712 12.872 1.00 73.32 H new ATOM 0 HB2 LEU A 61 -1.173 -2.984 14.378 1.00 41.15 H new ATOM 0 HB3 LEU A 61 -1.031 -4.727 14.260 1.00 41.15 H new ATOM 0 HG LEU A 61 -0.924 -2.750 11.968 1.00 2.14 H new ATOM 0 HD11 LEU A 61 1.400 -3.535 11.752 1.00 64.43 H new ATOM 0 HD12 LEU A 61 1.098 -2.795 13.342 1.00 64.43 H new ATOM 0 HD13 LEU A 61 1.181 -4.565 13.186 1.00 64.43 H new ATOM 0 HD21 LEU A 61 -0.411 -4.702 10.552 1.00 5.44 H new ATOM 0 HD22 LEU A 61 -0.705 -5.778 11.939 1.00 5.44 H new ATOM 0 HD23 LEU A 61 -2.038 -4.812 11.265 1.00 5.44 H new ATOM 1003 N THR A 62 -3.688 -3.429 15.860 1.00 4.14 N ATOM 1004 CA THR A 62 -4.253 -3.709 17.173 1.00 75.41 C ATOM 1005 C THR A 62 -5.710 -4.144 17.065 1.00 21.02 C ATOM 1006 O THR A 62 -6.198 -4.924 17.883 1.00 54.14 O ATOM 1007 CB THR A 62 -4.163 -2.479 18.097 1.00 62.12 C ATOM 1008 OG1 THR A 62 -3.936 -2.897 19.447 1.00 44.44 O ATOM 1009 CG2 THR A 62 -5.439 -1.653 18.024 1.00 64.40 C ATOM 0 H THR A 62 -3.440 -2.452 15.708 1.00 4.14 H new ATOM 0 HA THR A 62 -3.666 -4.521 17.602 1.00 75.41 H new ATOM 0 HB THR A 62 -3.329 -1.861 17.763 1.00 62.12 H new ATOM 0 HG1 THR A 62 -3.878 -2.110 20.028 1.00 44.44 H new ATOM 0 HG21 THR A 62 -5.352 -0.790 18.684 1.00 64.40 H new ATOM 0 HG22 THR A 62 -5.594 -1.312 17.000 1.00 64.40 H new ATOM 0 HG23 THR A 62 -6.286 -2.264 18.335 1.00 64.40 H new ATOM 1017 N VAL A 63 -6.400 -3.636 16.048 1.00 42.05 N ATOM 1018 CA VAL A 63 -7.802 -3.973 15.832 1.00 74.42 C ATOM 1019 C VAL A 63 -7.942 -5.340 15.170 1.00 71.32 C ATOM 1020 O VAL A 63 -8.840 -6.114 15.504 1.00 21.42 O ATOM 1021 CB VAL A 63 -8.504 -2.918 14.958 1.00 24.11 C ATOM 1022 CG1 VAL A 63 -9.920 -3.362 14.619 1.00 15.34 C ATOM 1023 CG2 VAL A 63 -8.515 -1.568 15.659 1.00 32.22 C ATOM 0 H VAL A 63 -6.011 -2.990 15.361 1.00 42.05 H new ATOM 0 HA VAL A 63 -8.277 -3.996 16.813 1.00 74.42 H new ATOM 0 HB VAL A 63 -7.948 -2.814 14.026 1.00 24.11 H new ATOM 0 HG11 VAL A 63 -10.401 -2.604 14.001 1.00 15.34 H new ATOM 0 HG12 VAL A 63 -9.885 -4.306 14.074 1.00 15.34 H new ATOM 0 HG13 VAL A 63 -10.490 -3.495 15.539 1.00 15.34 H new ATOM 0 HG21 VAL A 63 -9.015 -0.834 15.027 1.00 32.22 H new ATOM 0 HG22 VAL A 63 -9.047 -1.654 16.606 1.00 32.22 H new ATOM 0 HG23 VAL A 63 -7.490 -1.247 15.847 1.00 32.22 H new ATOM 1033 N LEU A 64 -7.048 -5.631 14.232 1.00 61.32 N ATOM 1034 CA LEU A 64 -7.070 -6.906 13.522 1.00 41.54 C ATOM 1035 C LEU A 64 -6.441 -8.010 14.367 1.00 23.24 C ATOM 1036 O LEU A 64 -6.677 -9.195 14.132 1.00 3.22 O ATOM 1037 CB LEU A 64 -6.329 -6.783 12.190 1.00 65.11 C ATOM 1038 CG LEU A 64 -6.917 -5.791 11.185 1.00 54.23 C ATOM 1039 CD1 LEU A 64 -6.208 -5.907 9.844 1.00 53.41 C ATOM 1040 CD2 LEU A 64 -8.413 -6.020 11.021 1.00 13.05 C ATOM 0 H LEU A 64 -6.298 -5.002 13.945 1.00 61.32 H new ATOM 0 HA LEU A 64 -8.110 -7.169 13.329 1.00 41.54 H new ATOM 0 HB2 LEU A 64 -5.298 -6.494 12.396 1.00 65.11 H new ATOM 0 HB3 LEU A 64 -6.297 -7.767 11.723 1.00 65.11 H new ATOM 0 HG LEU A 64 -6.764 -4.782 11.568 1.00 54.23 H new ATOM 0 HD11 LEU A 64 -6.639 -5.194 9.141 1.00 53.41 H new ATOM 0 HD12 LEU A 64 -5.147 -5.692 9.974 1.00 53.41 H new ATOM 0 HD13 LEU A 64 -6.329 -6.918 9.455 1.00 53.41 H new ATOM 0 HD21 LEU A 64 -8.814 -5.305 10.302 1.00 13.05 H new ATOM 0 HD22 LEU A 64 -8.589 -7.034 10.661 1.00 13.05 H new ATOM 0 HD23 LEU A 64 -8.909 -5.885 11.982 1.00 13.05 H new ATOM 1052 N ASP A 65 -5.643 -7.612 15.352 1.00 23.24 N ATOM 1053 CA ASP A 65 -4.983 -8.568 16.234 1.00 23.21 C ATOM 1054 C ASP A 65 -5.990 -9.559 16.813 1.00 14.34 C ATOM 1055 O ASP A 65 -5.910 -10.766 16.586 1.00 52.13 O ATOM 1056 CB ASP A 65 -4.261 -7.835 17.366 1.00 31.03 C ATOM 1057 CG ASP A 65 -2.755 -7.988 17.286 1.00 4.24 C ATOM 1058 OD1 ASP A 65 -2.284 -9.127 17.089 1.00 61.01 O ATOM 1059 OD2 ASP A 65 -2.047 -6.967 17.420 1.00 23.32 O ATOM 0 H ASP A 65 -5.438 -6.635 15.560 1.00 23.24 H new ATOM 0 HA ASP A 65 -4.252 -9.123 15.646 1.00 23.21 H new ATOM 0 HB2 ASP A 65 -4.518 -6.776 17.332 1.00 31.03 H new ATOM 0 HB3 ASP A 65 -4.612 -8.217 18.325 1.00 31.03 H new ATOM 1064 N PRO A 66 -6.959 -9.037 17.579 1.00 24.45 N ATOM 1065 CA PRO A 66 -8.000 -9.857 18.206 1.00 32.43 C ATOM 1066 C PRO A 66 -8.978 -10.432 17.187 1.00 31.31 C ATOM 1067 O PRO A 66 -9.705 -11.382 17.478 1.00 10.23 O ATOM 1068 CB PRO A 66 -8.713 -8.875 19.137 1.00 41.10 C ATOM 1069 CG PRO A 66 -8.475 -7.536 18.529 1.00 70.11 C ATOM 1070 CD PRO A 66 -7.116 -7.606 17.891 1.00 33.43 C ATOM 0 HA PRO A 66 -7.582 -10.724 18.718 1.00 32.43 H new ATOM 0 HB2 PRO A 66 -9.778 -9.096 19.204 1.00 41.10 H new ATOM 0 HB3 PRO A 66 -8.312 -8.927 20.149 1.00 41.10 H new ATOM 0 HG2 PRO A 66 -9.241 -7.301 17.790 1.00 70.11 H new ATOM 0 HG3 PRO A 66 -8.511 -6.752 19.285 1.00 70.11 H new ATOM 0 HD2 PRO A 66 -7.061 -6.991 16.993 1.00 33.43 H new ATOM 0 HD3 PRO A 66 -6.336 -7.254 18.566 1.00 33.43 H new ATOM 1078 N MET A 67 -8.990 -9.852 15.992 1.00 11.53 N ATOM 1079 CA MET A 67 -9.879 -10.308 14.929 1.00 55.32 C ATOM 1080 C MET A 67 -9.373 -11.612 14.322 1.00 10.15 C ATOM 1081 O MET A 67 -10.133 -12.351 13.694 1.00 12.12 O ATOM 1082 CB MET A 67 -10.000 -9.238 13.843 1.00 22.15 C ATOM 1083 CG MET A 67 -10.739 -7.991 14.298 1.00 43.31 C ATOM 1084 SD MET A 67 -12.531 -8.168 14.195 1.00 34.21 S ATOM 1085 CE MET A 67 -13.007 -7.778 15.877 1.00 11.04 C ATOM 0 H MET A 67 -8.394 -9.065 15.735 1.00 11.53 H new ATOM 0 HA MET A 67 -10.863 -10.487 15.362 1.00 55.32 H new ATOM 0 HB2 MET A 67 -9.001 -8.957 13.509 1.00 22.15 H new ATOM 0 HB3 MET A 67 -10.516 -9.663 12.982 1.00 22.15 H new ATOM 0 HG2 MET A 67 -10.459 -7.763 15.326 1.00 43.31 H new ATOM 0 HG3 MET A 67 -10.426 -7.145 13.687 1.00 43.31 H new ATOM 0 HE1 MET A 67 -14.091 -7.845 15.973 1.00 11.04 H new ATOM 0 HE2 MET A 67 -12.538 -8.485 16.561 1.00 11.04 H new ATOM 0 HE3 MET A 67 -12.682 -6.767 16.122 1.00 11.04 H new ATOM 1095 N VAL A 68 -8.087 -11.890 14.511 1.00 11.22 N ATOM 1096 CA VAL A 68 -7.482 -13.106 13.982 1.00 14.44 C ATOM 1097 C VAL A 68 -8.171 -14.349 14.533 1.00 5.52 C ATOM 1098 O VAL A 68 -8.696 -15.179 13.791 1.00 5.22 O ATOM 1099 CB VAL A 68 -5.979 -13.175 14.314 1.00 41.04 C ATOM 1100 CG1 VAL A 68 -5.521 -14.622 14.416 1.00 62.12 C ATOM 1101 CG2 VAL A 68 -5.167 -12.422 13.272 1.00 41.11 C ATOM 0 H VAL A 68 -7.444 -11.289 15.027 1.00 11.22 H new ATOM 0 HA VAL A 68 -7.607 -13.076 12.900 1.00 14.44 H new ATOM 0 HB VAL A 68 -5.816 -12.698 15.281 1.00 41.04 H new ATOM 0 HG11 VAL A 68 -4.457 -14.651 14.651 1.00 62.12 H new ATOM 0 HG12 VAL A 68 -6.081 -15.126 15.204 1.00 62.12 H new ATOM 0 HG13 VAL A 68 -5.697 -15.127 13.466 1.00 62.12 H new ATOM 0 HG21 VAL A 68 -4.108 -12.482 13.523 1.00 41.11 H new ATOM 0 HG22 VAL A 68 -5.333 -12.866 12.291 1.00 41.11 H new ATOM 0 HG23 VAL A 68 -5.477 -11.377 13.254 1.00 41.11 H new ATOM 1111 N PRO A 69 -8.172 -14.481 15.868 1.00 21.52 N ATOM 1112 CA PRO A 69 -8.795 -15.620 16.550 1.00 4.04 C ATOM 1113 C PRO A 69 -10.317 -15.591 16.453 1.00 61.44 C ATOM 1114 O PRO A 69 -10.998 -16.489 16.950 1.00 2.11 O ATOM 1115 CB PRO A 69 -8.348 -15.451 18.004 1.00 14.44 C ATOM 1116 CG PRO A 69 -8.078 -13.993 18.150 1.00 64.23 C ATOM 1117 CD PRO A 69 -7.565 -13.531 16.814 1.00 50.44 C ATOM 0 HA PRO A 69 -8.500 -16.571 16.108 1.00 4.04 H new ATOM 0 HB2 PRO A 69 -9.122 -15.782 18.697 1.00 14.44 H new ATOM 0 HB3 PRO A 69 -7.457 -16.042 18.215 1.00 14.44 H new ATOM 0 HG2 PRO A 69 -8.984 -13.454 18.428 1.00 64.23 H new ATOM 0 HG3 PRO A 69 -7.344 -13.809 18.935 1.00 64.23 H new ATOM 0 HD2 PRO A 69 -7.865 -12.505 16.601 1.00 50.44 H new ATOM 0 HD3 PRO A 69 -6.476 -13.560 16.770 1.00 50.44 H new ATOM 1125 N THR A 70 -10.845 -14.554 15.810 1.00 62.44 N ATOM 1126 CA THR A 70 -12.286 -14.408 15.649 1.00 50.03 C ATOM 1127 C THR A 70 -12.637 -13.920 14.249 1.00 71.10 C ATOM 1128 O THR A 70 -13.524 -13.086 14.075 1.00 45.01 O ATOM 1129 CB THR A 70 -12.870 -13.427 16.684 1.00 65.24 C ATOM 1130 OG1 THR A 70 -12.079 -13.446 17.877 1.00 40.22 O ATOM 1131 CG2 THR A 70 -14.310 -13.788 17.018 1.00 23.31 C ATOM 0 H THR A 70 -10.296 -13.803 15.392 1.00 62.44 H new ATOM 0 HA THR A 70 -12.723 -15.394 15.806 1.00 50.03 H new ATOM 0 HB THR A 70 -12.853 -12.426 16.254 1.00 65.24 H new ATOM 0 HG1 THR A 70 -11.342 -12.806 17.791 1.00 40.22 H new ATOM 0 HG21 THR A 70 -14.702 -13.082 17.750 1.00 23.31 H new ATOM 0 HG22 THR A 70 -14.915 -13.745 16.113 1.00 23.31 H new ATOM 0 HG23 THR A 70 -14.346 -14.796 17.431 1.00 23.31 H new ATOM 1139 N GLY A 71 -11.932 -14.445 13.250 1.00 3.20 N ATOM 1140 CA GLY A 71 -12.185 -14.050 11.877 1.00 33.32 C ATOM 1141 C GLY A 71 -11.948 -15.181 10.895 1.00 64.04 C ATOM 1142 O GLY A 71 -11.610 -16.296 11.293 1.00 40.41 O ATOM 0 H GLY A 71 -11.191 -15.136 13.368 1.00 3.20 H new ATOM 0 HA2 GLY A 71 -13.214 -13.703 11.786 1.00 33.32 H new ATOM 0 HA3 GLY A 71 -11.541 -13.209 11.620 1.00 33.32 H new ATOM 1146 N SER A 72 -12.129 -14.895 9.610 1.00 14.41 N ATOM 1147 CA SER A 72 -11.938 -15.898 8.570 1.00 31.23 C ATOM 1148 C SER A 72 -10.824 -15.484 7.613 1.00 50.03 C ATOM 1149 O SER A 72 -10.098 -14.523 7.868 1.00 72.33 O ATOM 1150 CB SER A 72 -13.239 -16.112 7.794 1.00 31.24 C ATOM 1151 OG SER A 72 -13.295 -15.274 6.652 1.00 50.41 O ATOM 0 H SER A 72 -12.408 -13.977 9.264 1.00 14.41 H new ATOM 0 HA SER A 72 -11.651 -16.833 9.050 1.00 31.23 H new ATOM 0 HB2 SER A 72 -13.316 -17.155 7.488 1.00 31.24 H new ATOM 0 HB3 SER A 72 -14.091 -15.906 8.442 1.00 31.24 H new ATOM 0 HG SER A 72 -14.135 -15.431 6.172 1.00 50.41 H new ATOM 1157 N GLU A 73 -10.696 -16.217 6.511 1.00 74.21 N ATOM 1158 CA GLU A 73 -9.669 -15.927 5.517 1.00 50.40 C ATOM 1159 C GLU A 73 -9.775 -14.483 5.032 1.00 33.14 C ATOM 1160 O GLU A 73 -8.767 -13.800 4.860 1.00 75.45 O ATOM 1161 CB GLU A 73 -9.792 -16.885 4.331 1.00 74.30 C ATOM 1162 CG GLU A 73 -8.889 -18.103 4.437 1.00 15.13 C ATOM 1163 CD GLU A 73 -8.554 -18.701 3.084 1.00 2.32 C ATOM 1164 OE1 GLU A 73 -9.442 -19.341 2.483 1.00 43.23 O ATOM 1165 OE2 GLU A 73 -7.405 -18.528 2.626 1.00 31.21 O ATOM 0 H GLU A 73 -11.290 -17.015 6.284 1.00 74.21 H new ATOM 0 HA GLU A 73 -8.695 -16.064 5.986 1.00 50.40 H new ATOM 0 HB2 GLU A 73 -10.827 -17.216 4.248 1.00 74.30 H new ATOM 0 HB3 GLU A 73 -9.555 -16.346 3.413 1.00 74.30 H new ATOM 0 HG2 GLU A 73 -7.966 -17.823 4.945 1.00 15.13 H new ATOM 0 HG3 GLU A 73 -9.376 -18.859 5.054 1.00 15.13 H new ATOM 1172 N ASN A 74 -11.004 -14.028 4.811 1.00 61.14 N ATOM 1173 CA ASN A 74 -11.242 -12.667 4.345 1.00 11.41 C ATOM 1174 C ASN A 74 -10.707 -11.647 5.346 1.00 2.43 C ATOM 1175 O ASN A 74 -10.497 -10.481 5.009 1.00 44.51 O ATOM 1176 CB ASN A 74 -12.737 -12.438 4.117 1.00 41.12 C ATOM 1177 CG ASN A 74 -13.023 -11.760 2.791 1.00 52.32 C ATOM 1178 OD1 ASN A 74 -13.409 -10.591 2.750 1.00 22.12 O ATOM 1179 ND2 ASN A 74 -12.835 -12.492 1.700 1.00 12.25 N ATOM 0 H ASN A 74 -11.850 -14.581 4.947 1.00 61.14 H new ATOM 0 HA ASN A 74 -10.713 -12.535 3.401 1.00 11.41 H new ATOM 0 HB2 ASN A 74 -13.258 -13.395 4.152 1.00 41.12 H new ATOM 0 HB3 ASN A 74 -13.136 -11.828 4.927 1.00 41.12 H new ATOM 0 HD21 ASN A 74 -13.011 -12.090 0.779 1.00 12.25 H new ATOM 0 HD22 ASN A 74 -12.514 -13.457 1.782 1.00 12.25 H new ATOM 1186 N LEU A 75 -10.487 -12.094 6.577 1.00 23.11 N ATOM 1187 CA LEU A 75 -9.976 -11.222 7.628 1.00 11.42 C ATOM 1188 C LEU A 75 -8.472 -11.406 7.805 1.00 5.11 C ATOM 1189 O LEU A 75 -7.708 -10.442 7.757 1.00 55.14 O ATOM 1190 CB LEU A 75 -10.695 -11.504 8.949 1.00 21.43 C ATOM 1191 CG LEU A 75 -10.574 -10.424 10.024 1.00 13.15 C ATOM 1192 CD1 LEU A 75 -11.855 -10.338 10.839 1.00 54.55 C ATOM 1193 CD2 LEU A 75 -9.381 -10.701 10.926 1.00 55.00 C ATOM 0 H LEU A 75 -10.655 -13.056 6.872 1.00 23.11 H new ATOM 0 HA LEU A 75 -10.165 -10.190 7.333 1.00 11.42 H new ATOM 0 HB2 LEU A 75 -11.753 -11.661 8.737 1.00 21.43 H new ATOM 0 HB3 LEU A 75 -10.310 -12.439 9.357 1.00 21.43 H new ATOM 0 HG LEU A 75 -10.416 -9.464 9.533 1.00 13.15 H new ATOM 0 HD11 LEU A 75 -11.751 -9.564 11.600 1.00 54.55 H new ATOM 0 HD12 LEU A 75 -12.689 -10.091 10.182 1.00 54.55 H new ATOM 0 HD13 LEU A 75 -12.045 -11.297 11.321 1.00 54.55 H new ATOM 0 HD21 LEU A 75 -9.310 -9.922 11.685 1.00 55.00 H new ATOM 0 HD22 LEU A 75 -9.508 -11.669 11.410 1.00 55.00 H new ATOM 0 HD23 LEU A 75 -8.469 -10.710 10.330 1.00 55.00 H new ATOM 1205 N LYS A 76 -8.054 -12.650 8.009 1.00 21.04 N ATOM 1206 CA LYS A 76 -6.641 -12.964 8.189 1.00 51.40 C ATOM 1207 C LYS A 76 -5.804 -12.368 7.062 1.00 32.13 C ATOM 1208 O LYS A 76 -4.685 -11.907 7.285 1.00 12.43 O ATOM 1209 CB LYS A 76 -6.437 -14.479 8.245 1.00 21.34 C ATOM 1210 CG LYS A 76 -6.955 -15.116 9.522 1.00 61.52 C ATOM 1211 CD LYS A 76 -6.143 -16.343 9.904 1.00 15.41 C ATOM 1212 CE LYS A 76 -6.844 -17.165 10.973 1.00 31.53 C ATOM 1213 NZ LYS A 76 -7.235 -18.511 10.469 1.00 40.13 N ATOM 0 H LYS A 76 -8.674 -13.459 8.054 1.00 21.04 H new ATOM 0 HA LYS A 76 -6.314 -12.525 9.132 1.00 51.40 H new ATOM 0 HB2 LYS A 76 -6.938 -14.936 7.392 1.00 21.34 H new ATOM 0 HB3 LYS A 76 -5.374 -14.698 8.145 1.00 21.34 H new ATOM 0 HG2 LYS A 76 -6.919 -14.388 10.333 1.00 61.52 H new ATOM 0 HG3 LYS A 76 -8.000 -15.397 9.391 1.00 61.52 H new ATOM 0 HD2 LYS A 76 -5.976 -16.960 9.021 1.00 15.41 H new ATOM 0 HD3 LYS A 76 -5.163 -16.033 10.266 1.00 15.41 H new ATOM 0 HE2 LYS A 76 -6.186 -17.277 11.835 1.00 31.53 H new ATOM 0 HE3 LYS A 76 -7.732 -16.634 11.316 1.00 31.53 H new ATOM 0 HZ1 LYS A 76 -7.710 -19.041 11.227 1.00 40.13 H new ATOM 0 HZ2 LYS A 76 -7.883 -18.405 9.662 1.00 40.13 H new ATOM 0 HZ3 LYS A 76 -6.385 -19.028 10.165 1.00 40.13 H new ATOM 1227 N SER A 77 -6.353 -12.380 5.852 1.00 74.20 N ATOM 1228 CA SER A 77 -5.655 -11.843 4.689 1.00 70.01 C ATOM 1229 C SER A 77 -5.273 -10.383 4.912 1.00 43.35 C ATOM 1230 O SER A 77 -4.172 -9.957 4.561 1.00 42.01 O ATOM 1231 CB SER A 77 -6.529 -11.969 3.440 1.00 31.23 C ATOM 1232 OG SER A 77 -6.048 -12.989 2.582 1.00 72.10 O ATOM 0 H SER A 77 -7.280 -12.756 5.651 1.00 74.20 H new ATOM 0 HA SER A 77 -4.742 -12.421 4.544 1.00 70.01 H new ATOM 0 HB2 SER A 77 -7.556 -12.189 3.732 1.00 31.23 H new ATOM 0 HB3 SER A 77 -6.546 -11.019 2.907 1.00 31.23 H new ATOM 0 HG SER A 77 -6.625 -13.051 1.792 1.00 72.10 H new ATOM 1238 N LEU A 78 -6.190 -9.621 5.497 1.00 60.42 N ATOM 1239 CA LEU A 78 -5.951 -8.207 5.767 1.00 65.14 C ATOM 1240 C LEU A 78 -4.854 -8.031 6.811 1.00 41.42 C ATOM 1241 O LEU A 78 -3.954 -7.207 6.648 1.00 2.32 O ATOM 1242 CB LEU A 78 -7.239 -7.535 6.247 1.00 4.23 C ATOM 1243 CG LEU A 78 -7.126 -6.057 6.621 1.00 12.24 C ATOM 1244 CD1 LEU A 78 -7.014 -5.197 5.372 1.00 20.32 C ATOM 1245 CD2 LEU A 78 -8.319 -5.626 7.462 1.00 12.02 C ATOM 0 H LEU A 78 -7.106 -9.958 5.794 1.00 60.42 H new ATOM 0 HA LEU A 78 -5.625 -7.735 4.840 1.00 65.14 H new ATOM 0 HB2 LEU A 78 -7.991 -7.634 5.464 1.00 4.23 H new ATOM 0 HB3 LEU A 78 -7.609 -8.081 7.115 1.00 4.23 H new ATOM 0 HG LEU A 78 -6.221 -5.921 7.213 1.00 12.24 H new ATOM 0 HD11 LEU A 78 -6.935 -4.148 5.658 1.00 20.32 H new ATOM 0 HD12 LEU A 78 -6.127 -5.488 4.808 1.00 20.32 H new ATOM 0 HD13 LEU A 78 -7.900 -5.338 4.753 1.00 20.32 H new ATOM 0 HD21 LEU A 78 -8.221 -4.571 7.719 1.00 12.02 H new ATOM 0 HD22 LEU A 78 -9.238 -5.778 6.895 1.00 12.02 H new ATOM 0 HD23 LEU A 78 -8.354 -6.220 8.375 1.00 12.02 H new ATOM 1257 N PHE A 79 -4.933 -8.811 7.884 1.00 22.14 N ATOM 1258 CA PHE A 79 -3.945 -8.742 8.955 1.00 24.24 C ATOM 1259 C PHE A 79 -2.530 -8.854 8.396 1.00 54.43 C ATOM 1260 O PHE A 79 -1.595 -8.248 8.919 1.00 21.00 O ATOM 1261 CB PHE A 79 -4.191 -9.854 9.977 1.00 4.40 C ATOM 1262 CG PHE A 79 -3.384 -9.701 11.234 1.00 40.43 C ATOM 1263 CD1 PHE A 79 -3.282 -8.470 11.862 1.00 75.24 C ATOM 1264 CD2 PHE A 79 -2.727 -10.788 11.788 1.00 62.22 C ATOM 1265 CE1 PHE A 79 -2.540 -8.326 13.020 1.00 41.21 C ATOM 1266 CE2 PHE A 79 -1.984 -10.650 12.945 1.00 71.00 C ATOM 1267 CZ PHE A 79 -1.890 -9.417 13.561 1.00 73.24 C ATOM 0 H PHE A 79 -5.671 -9.499 8.035 1.00 22.14 H new ATOM 0 HA PHE A 79 -4.047 -7.776 9.449 1.00 24.24 H new ATOM 0 HB2 PHE A 79 -5.250 -9.872 10.234 1.00 4.40 H new ATOM 0 HB3 PHE A 79 -3.958 -10.815 9.519 1.00 4.40 H new ATOM 0 HD1 PHE A 79 -3.788 -7.613 11.442 1.00 75.24 H new ATOM 0 HD2 PHE A 79 -2.796 -11.754 11.310 1.00 62.22 H new ATOM 0 HE1 PHE A 79 -2.469 -7.361 13.500 1.00 41.21 H new ATOM 0 HE2 PHE A 79 -1.477 -11.505 13.367 1.00 71.00 H new ATOM 0 HZ PHE A 79 -1.309 -9.307 14.465 1.00 73.24 H new ATOM 1277 N ASN A 80 -2.380 -9.635 7.331 1.00 72.21 N ATOM 1278 CA ASN A 80 -1.078 -9.828 6.702 1.00 64.14 C ATOM 1279 C ASN A 80 -0.699 -8.618 5.853 1.00 51.21 C ATOM 1280 O ASN A 80 0.462 -8.209 5.818 1.00 42.10 O ATOM 1281 CB ASN A 80 -1.089 -11.090 5.836 1.00 4.51 C ATOM 1282 CG ASN A 80 -0.588 -12.309 6.585 1.00 12.11 C ATOM 1283 OD1 ASN A 80 0.436 -12.893 6.228 1.00 5.44 O ATOM 1284 ND2 ASN A 80 -1.309 -12.700 7.629 1.00 2.23 N ATOM 0 H ASN A 80 -3.143 -10.144 6.886 1.00 72.21 H new ATOM 0 HA ASN A 80 -0.335 -9.943 7.491 1.00 64.14 H new ATOM 0 HB2 ASN A 80 -2.103 -11.276 5.482 1.00 4.51 H new ATOM 0 HB3 ASN A 80 -0.468 -10.928 4.955 1.00 4.51 H new ATOM 0 HD21 ASN A 80 -1.021 -13.515 8.171 1.00 2.23 H new ATOM 0 HD22 ASN A 80 -2.151 -12.186 7.889 1.00 2.23 H new ATOM 1291 N THR A 81 -1.688 -8.049 5.170 1.00 10.11 N ATOM 1292 CA THR A 81 -1.459 -6.887 4.321 1.00 2.10 C ATOM 1293 C THR A 81 -1.117 -5.656 5.153 1.00 62.11 C ATOM 1294 O THR A 81 -0.188 -4.915 4.833 1.00 72.40 O ATOM 1295 CB THR A 81 -2.690 -6.577 3.449 1.00 3.14 C ATOM 1296 OG1 THR A 81 -3.002 -7.705 2.624 1.00 44.25 O ATOM 1297 CG2 THR A 81 -2.442 -5.357 2.574 1.00 73.15 C ATOM 0 H THR A 81 -2.655 -8.374 5.189 1.00 10.11 H new ATOM 0 HA THR A 81 -0.616 -7.130 3.674 1.00 2.10 H new ATOM 0 HB THR A 81 -3.531 -6.365 4.110 1.00 3.14 H new ATOM 0 HG1 THR A 81 -3.365 -8.426 3.180 1.00 44.25 H new ATOM 0 HG21 THR A 81 -3.326 -5.158 1.968 1.00 73.15 H new ATOM 0 HG22 THR A 81 -2.233 -4.493 3.205 1.00 73.15 H new ATOM 0 HG23 THR A 81 -1.589 -5.544 1.922 1.00 73.15 H new ATOM 1305 N VAL A 82 -1.875 -5.443 6.225 1.00 31.53 N ATOM 1306 CA VAL A 82 -1.651 -4.303 7.106 1.00 22.55 C ATOM 1307 C VAL A 82 -0.223 -4.292 7.637 1.00 14.54 C ATOM 1308 O VAL A 82 0.319 -3.235 7.966 1.00 12.31 O ATOM 1309 CB VAL A 82 -2.629 -4.312 8.295 1.00 45.33 C ATOM 1310 CG1 VAL A 82 -2.449 -3.064 9.144 1.00 52.33 C ATOM 1311 CG2 VAL A 82 -4.065 -4.428 7.803 1.00 11.32 C ATOM 0 H VAL A 82 -2.649 -6.045 6.504 1.00 31.53 H new ATOM 0 HA VAL A 82 -1.822 -3.405 6.512 1.00 22.55 H new ATOM 0 HB VAL A 82 -2.410 -5.180 8.916 1.00 45.33 H new ATOM 0 HG11 VAL A 82 -3.149 -3.088 9.979 1.00 52.33 H new ATOM 0 HG12 VAL A 82 -1.429 -3.028 9.526 1.00 52.33 H new ATOM 0 HG13 VAL A 82 -2.640 -2.180 8.536 1.00 52.33 H new ATOM 0 HG21 VAL A 82 -4.743 -4.433 8.657 1.00 11.32 H new ATOM 0 HG22 VAL A 82 -4.299 -3.580 7.159 1.00 11.32 H new ATOM 0 HG23 VAL A 82 -4.183 -5.354 7.241 1.00 11.32 H new ATOM 1321 N CYS A 83 0.383 -5.471 7.718 1.00 65.25 N ATOM 1322 CA CYS A 83 1.750 -5.597 8.210 1.00 50.30 C ATOM 1323 C CYS A 83 2.742 -5.004 7.216 1.00 0.22 C ATOM 1324 O CYS A 83 3.726 -4.375 7.606 1.00 15.33 O ATOM 1325 CB CYS A 83 2.086 -7.066 8.471 1.00 52.25 C ATOM 1326 SG CYS A 83 1.290 -7.756 9.940 1.00 31.23 S ATOM 0 H CYS A 83 -0.051 -6.354 7.449 1.00 65.25 H new ATOM 0 HA CYS A 83 1.826 -5.043 9.145 1.00 50.30 H new ATOM 0 HB2 CYS A 83 1.793 -7.655 7.602 1.00 52.25 H new ATOM 0 HB3 CYS A 83 3.166 -7.168 8.575 1.00 52.25 H new ATOM 0 HG CYS A 83 0.045 -8.021 9.675 1.00 31.23 H new ATOM 1332 N VAL A 84 2.478 -5.209 5.930 1.00 52.11 N ATOM 1333 CA VAL A 84 3.348 -4.696 4.879 1.00 53.53 C ATOM 1334 C VAL A 84 3.234 -3.180 4.763 1.00 0.23 C ATOM 1335 O VAL A 84 4.232 -2.484 4.571 1.00 71.43 O ATOM 1336 CB VAL A 84 3.017 -5.330 3.515 1.00 51.52 C ATOM 1337 CG1 VAL A 84 3.882 -4.725 2.421 1.00 4.14 C ATOM 1338 CG2 VAL A 84 3.194 -6.840 3.574 1.00 1.44 C ATOM 0 H VAL A 84 1.668 -5.727 5.591 1.00 52.11 H new ATOM 0 HA VAL A 84 4.368 -4.961 5.156 1.00 53.53 H new ATOM 0 HB VAL A 84 1.974 -5.118 3.278 1.00 51.52 H new ATOM 0 HG11 VAL A 84 3.634 -5.185 1.465 1.00 4.14 H new ATOM 0 HG12 VAL A 84 3.700 -3.652 2.365 1.00 4.14 H new ATOM 0 HG13 VAL A 84 4.933 -4.904 2.648 1.00 4.14 H new ATOM 0 HG21 VAL A 84 2.956 -7.272 2.602 1.00 1.44 H new ATOM 0 HG22 VAL A 84 4.226 -7.075 3.833 1.00 1.44 H new ATOM 0 HG23 VAL A 84 2.527 -7.255 4.329 1.00 1.44 H new ATOM 1348 N ILE A 85 2.011 -2.673 4.880 1.00 60.03 N ATOM 1349 CA ILE A 85 1.766 -1.240 4.791 1.00 4.31 C ATOM 1350 C ILE A 85 2.473 -0.489 5.915 1.00 21.35 C ATOM 1351 O ILE A 85 3.288 0.399 5.664 1.00 73.14 O ATOM 1352 CB ILE A 85 0.260 -0.920 4.845 1.00 32.24 C ATOM 1353 CG1 ILE A 85 -0.497 -1.758 3.812 1.00 22.14 C ATOM 1354 CG2 ILE A 85 0.024 0.563 4.607 1.00 13.10 C ATOM 1355 CD1 ILE A 85 -0.171 -1.393 2.381 1.00 24.15 C ATOM 0 H ILE A 85 1.174 -3.235 5.037 1.00 60.03 H new ATOM 0 HA ILE A 85 2.165 -0.913 3.831 1.00 4.31 H new ATOM 0 HB ILE A 85 -0.115 -1.172 5.837 1.00 32.24 H new ATOM 0 HG12 ILE A 85 -0.266 -2.811 3.971 1.00 22.14 H new ATOM 0 HG13 ILE A 85 -1.568 -1.638 3.974 1.00 22.14 H new ATOM 0 HG21 ILE A 85 -1.045 0.773 4.648 1.00 13.10 H new ATOM 0 HG22 ILE A 85 0.537 1.141 5.376 1.00 13.10 H new ATOM 0 HG23 ILE A 85 0.410 0.840 3.626 1.00 13.10 H new ATOM 0 HD11 ILE A 85 -0.744 -2.027 1.704 1.00 24.15 H new ATOM 0 HD12 ILE A 85 -0.428 -0.349 2.204 1.00 24.15 H new ATOM 0 HD13 ILE A 85 0.894 -1.540 2.202 1.00 24.15 H new ATOM 1367 N TRP A 86 2.157 -0.854 7.152 1.00 31.04 N ATOM 1368 CA TRP A 86 2.764 -0.217 8.315 1.00 13.21 C ATOM 1369 C TRP A 86 4.283 -0.186 8.187 1.00 75.24 C ATOM 1370 O TRP A 86 4.922 0.817 8.508 1.00 51.54 O ATOM 1371 CB TRP A 86 2.362 -0.954 9.594 1.00 4.42 C ATOM 1372 CG TRP A 86 2.909 -0.324 10.839 1.00 30.33 C ATOM 1373 CD1 TRP A 86 2.280 0.585 11.641 1.00 73.40 C ATOM 1374 CD2 TRP A 86 4.195 -0.555 11.422 1.00 34.03 C ATOM 1375 NE1 TRP A 86 3.099 0.933 12.689 1.00 15.23 N ATOM 1376 CE2 TRP A 86 4.279 0.247 12.577 1.00 40.14 C ATOM 1377 CE3 TRP A 86 5.285 -1.362 11.082 1.00 23.32 C ATOM 1378 CZ2 TRP A 86 5.409 0.264 13.390 1.00 55.23 C ATOM 1379 CZ3 TRP A 86 6.405 -1.344 11.890 1.00 61.00 C ATOM 1380 CH2 TRP A 86 6.461 -0.536 13.034 1.00 64.03 C ATOM 0 H TRP A 86 1.484 -1.587 7.376 1.00 31.04 H new ATOM 0 HA TRP A 86 2.401 0.810 8.367 1.00 13.21 H new ATOM 0 HB2 TRP A 86 1.274 -0.987 9.659 1.00 4.42 H new ATOM 0 HB3 TRP A 86 2.709 -1.986 9.535 1.00 4.42 H new ATOM 0 HD1 TRP A 86 1.286 0.973 11.476 1.00 73.40 H new ATOM 0 HE1 TRP A 86 2.866 1.595 13.430 1.00 15.23 H new ATOM 0 HE3 TRP A 86 5.252 -1.988 10.203 1.00 23.32 H new ATOM 0 HZ2 TRP A 86 5.454 0.887 14.271 1.00 55.23 H new ATOM 0 HZ3 TRP A 86 7.252 -1.963 11.636 1.00 61.00 H new ATOM 0 HH2 TRP A 86 7.351 -0.545 13.646 1.00 64.03 H new ATOM 1391 N CYS A 87 4.856 -1.288 7.719 1.00 71.20 N ATOM 1392 CA CYS A 87 6.301 -1.388 7.550 1.00 12.41 C ATOM 1393 C CYS A 87 6.828 -0.244 6.688 1.00 44.21 C ATOM 1394 O CYS A 87 7.729 0.489 7.094 1.00 71.33 O ATOM 1395 CB CYS A 87 6.671 -2.730 6.919 1.00 34.44 C ATOM 1396 SG CYS A 87 7.001 -4.043 8.117 1.00 44.35 S ATOM 0 H CYS A 87 4.342 -2.126 7.449 1.00 71.20 H new ATOM 0 HA CYS A 87 6.762 -1.319 8.535 1.00 12.41 H new ATOM 0 HB2 CYS A 87 5.860 -3.047 6.263 1.00 34.44 H new ATOM 0 HB3 CYS A 87 7.553 -2.594 6.293 1.00 34.44 H new ATOM 0 HG CYS A 87 7.303 -5.139 7.487 1.00 44.35 H new ATOM 1402 N ILE A 88 6.259 -0.099 5.496 1.00 22.30 N ATOM 1403 CA ILE A 88 6.671 0.954 4.577 1.00 1.31 C ATOM 1404 C ILE A 88 6.690 2.312 5.269 1.00 42.23 C ATOM 1405 O ILE A 88 7.550 3.150 4.995 1.00 12.42 O ATOM 1406 CB ILE A 88 5.741 1.028 3.351 1.00 44.22 C ATOM 1407 CG1 ILE A 88 5.807 -0.276 2.554 1.00 65.13 C ATOM 1408 CG2 ILE A 88 6.115 2.212 2.473 1.00 3.24 C ATOM 1409 CD1 ILE A 88 4.480 -0.682 1.950 1.00 33.15 C ATOM 0 H ILE A 88 5.512 -0.697 5.144 1.00 22.30 H new ATOM 0 HA ILE A 88 7.678 0.705 4.244 1.00 1.31 H new ATOM 0 HB ILE A 88 4.717 1.168 3.698 1.00 44.22 H new ATOM 0 HG12 ILE A 88 6.542 -0.168 1.757 1.00 65.13 H new ATOM 0 HG13 ILE A 88 6.159 -1.074 3.207 1.00 65.13 H new ATOM 0 HG21 ILE A 88 5.449 2.251 1.611 1.00 3.24 H new ATOM 0 HG22 ILE A 88 6.020 3.134 3.046 1.00 3.24 H new ATOM 0 HG23 ILE A 88 7.144 2.101 2.131 1.00 3.24 H new ATOM 0 HD11 ILE A 88 4.601 -1.615 1.399 1.00 33.15 H new ATOM 0 HD12 ILE A 88 3.746 -0.822 2.744 1.00 33.15 H new ATOM 0 HD13 ILE A 88 4.135 0.098 1.271 1.00 33.15 H new ATOM 1421 N HIS A 89 5.736 2.524 6.171 1.00 2.21 N ATOM 1422 CA HIS A 89 5.644 3.780 6.907 1.00 41.24 C ATOM 1423 C HIS A 89 6.699 3.843 8.008 1.00 10.03 C ATOM 1424 O HIS A 89 7.144 4.952 8.301 1.00 54.01 O ATOM 1425 CB HIS A 89 4.249 3.940 7.513 1.00 44.21 C ATOM 1426 CG HIS A 89 3.147 3.895 6.500 1.00 32.43 C ATOM 1427 ND1 HIS A 89 3.181 4.604 5.319 1.00 14.52 N ATOM 1428 CD2 HIS A 89 1.974 3.218 6.496 1.00 11.11 C ATOM 1429 CE1 HIS A 89 2.078 4.366 4.633 1.00 4.04 C ATOM 1430 NE2 HIS A 89 1.328 3.528 5.325 1.00 72.34 N ATOM 0 H HIS A 89 5.016 1.842 6.410 1.00 2.21 H new ATOM 0 HA HIS A 89 5.824 4.596 6.207 1.00 41.24 H new ATOM 0 HB2 HIS A 89 4.088 3.151 8.248 1.00 44.21 H new ATOM 0 HB3 HIS A 89 4.201 4.888 8.048 1.00 44.21 H new ATOM 0 HD2 HIS A 89 1.614 2.557 7.270 1.00 11.11 H new ATOM 0 HE1 HIS A 89 1.831 4.786 3.669 1.00 4.04 H new ATOM 0 HE2 HIS A 89 0.418 3.170 5.037 1.00 72.34 H new ATOM 1438 N ALA A 90 7.096 2.723 8.603 1.00 13.54 N ATOM 1439 CA ALA A 90 8.103 2.735 9.656 1.00 60.23 C ATOM 1440 C ALA A 90 9.507 2.594 9.077 1.00 1.22 C ATOM 1441 O ALA A 90 10.455 2.281 9.795 1.00 35.43 O ATOM 1442 CB ALA A 90 7.830 1.622 10.658 1.00 74.33 C ATOM 0 H ALA A 90 6.736 1.797 8.374 1.00 13.54 H new ATOM 0 HA ALA A 90 8.045 3.695 10.169 1.00 60.23 H new ATOM 0 HB1 ALA A 90 8.589 1.642 11.440 1.00 74.33 H new ATOM 0 HB2 ALA A 90 6.846 1.767 11.104 1.00 74.33 H new ATOM 0 HB3 ALA A 90 7.859 0.659 10.149 1.00 74.33 H new ATOM 1448 N GLU A 91 9.630 2.827 7.773 1.00 52.25 N ATOM 1449 CA GLU A 91 10.919 2.725 7.099 1.00 23.12 C ATOM 1450 C GLU A 91 11.391 1.276 7.046 1.00 75.43 C ATOM 1451 O GLU A 91 12.531 0.998 6.672 1.00 64.42 O ATOM 1452 CB GLU A 91 11.963 3.589 7.810 1.00 64.03 C ATOM 1453 CG GLU A 91 12.887 4.331 6.860 1.00 54.53 C ATOM 1454 CD GLU A 91 13.908 5.184 7.588 1.00 73.11 C ATOM 1455 OE1 GLU A 91 14.378 4.759 8.665 1.00 31.24 O ATOM 1456 OE2 GLU A 91 14.238 6.277 7.081 1.00 42.22 O ATOM 0 H GLU A 91 8.854 3.087 7.164 1.00 52.25 H new ATOM 0 HA GLU A 91 10.796 3.086 6.078 1.00 23.12 H new ATOM 0 HB2 GLU A 91 11.452 4.312 8.446 1.00 64.03 H new ATOM 0 HB3 GLU A 91 12.561 2.956 8.465 1.00 64.03 H new ATOM 0 HG2 GLU A 91 13.406 3.611 6.227 1.00 54.53 H new ATOM 0 HG3 GLU A 91 12.293 4.965 6.202 1.00 54.53 H new ATOM 1463 N GLU A 92 10.509 0.357 7.426 1.00 15.24 N ATOM 1464 CA GLU A 92 10.838 -1.064 7.423 1.00 64.40 C ATOM 1465 C GLU A 92 10.842 -1.620 6.002 1.00 45.43 C ATOM 1466 O GLU A 92 9.868 -1.473 5.263 1.00 1.15 O ATOM 1467 CB GLU A 92 9.840 -1.841 8.284 1.00 61.51 C ATOM 1468 CG GLU A 92 10.068 -1.680 9.777 1.00 74.34 C ATOM 1469 CD GLU A 92 11.132 -2.620 10.310 1.00 53.40 C ATOM 1470 OE1 GLU A 92 12.077 -2.936 9.557 1.00 62.23 O ATOM 1471 OE2 GLU A 92 11.021 -3.038 11.481 1.00 44.14 O ATOM 0 H GLU A 92 9.562 0.571 7.740 1.00 15.24 H new ATOM 0 HA GLU A 92 11.838 -1.181 7.842 1.00 64.40 H new ATOM 0 HB2 GLU A 92 8.830 -1.510 8.042 1.00 61.51 H new ATOM 0 HB3 GLU A 92 9.899 -2.899 8.028 1.00 61.51 H new ATOM 0 HG2 GLU A 92 10.359 -0.651 9.987 1.00 74.34 H new ATOM 0 HG3 GLU A 92 9.132 -1.860 10.305 1.00 74.34 H new ATOM 1478 N LYS A 93 11.944 -2.257 5.625 1.00 72.22 N ATOM 1479 CA LYS A 93 12.077 -2.837 4.294 1.00 55.22 C ATOM 1480 C LYS A 93 11.905 -4.351 4.340 1.00 35.20 C ATOM 1481 O LYS A 93 12.584 -5.041 5.102 1.00 11.33 O ATOM 1482 CB LYS A 93 13.441 -2.484 3.697 1.00 35.44 C ATOM 1483 CG LYS A 93 13.825 -1.026 3.874 1.00 42.11 C ATOM 1484 CD LYS A 93 14.624 -0.511 2.688 1.00 63.33 C ATOM 1485 CE LYS A 93 15.911 0.165 3.134 1.00 51.10 C ATOM 1486 NZ LYS A 93 16.360 1.200 2.162 1.00 65.42 N ATOM 0 H LYS A 93 12.760 -2.385 6.223 1.00 72.22 H new ATOM 0 HA LYS A 93 11.292 -2.421 3.663 1.00 55.22 H new ATOM 0 HB2 LYS A 93 14.204 -3.110 4.160 1.00 35.44 H new ATOM 0 HB3 LYS A 93 13.435 -2.723 2.633 1.00 35.44 H new ATOM 0 HG2 LYS A 93 12.925 -0.424 3.996 1.00 42.11 H new ATOM 0 HG3 LYS A 93 14.411 -0.911 4.786 1.00 42.11 H new ATOM 0 HD2 LYS A 93 14.860 -1.339 2.020 1.00 63.33 H new ATOM 0 HD3 LYS A 93 14.019 0.195 2.120 1.00 63.33 H new ATOM 0 HE2 LYS A 93 15.760 0.625 4.110 1.00 51.10 H new ATOM 0 HE3 LYS A 93 16.693 -0.585 3.253 1.00 51.10 H new ATOM 0 HZ1 LYS A 93 17.240 1.637 2.502 1.00 65.42 H new ATOM 0 HZ2 LYS A 93 16.529 0.757 1.236 1.00 65.42 H new ATOM 0 HZ3 LYS A 93 15.625 1.930 2.068 1.00 65.42 H new ATOM 1500 N VAL A 94 10.996 -4.864 3.517 1.00 64.04 N ATOM 1501 CA VAL A 94 10.737 -6.298 3.463 1.00 42.10 C ATOM 1502 C VAL A 94 10.842 -6.821 2.034 1.00 43.02 C ATOM 1503 O VAL A 94 10.284 -6.238 1.105 1.00 42.01 O ATOM 1504 CB VAL A 94 9.343 -6.639 4.021 1.00 40.10 C ATOM 1505 CG1 VAL A 94 9.208 -6.150 5.456 1.00 24.51 C ATOM 1506 CG2 VAL A 94 8.256 -6.042 3.141 1.00 42.23 C ATOM 0 H VAL A 94 10.427 -4.308 2.879 1.00 64.04 H new ATOM 0 HA VAL A 94 11.495 -6.780 4.081 1.00 42.10 H new ATOM 0 HB VAL A 94 9.225 -7.723 4.019 1.00 40.10 H new ATOM 0 HG11 VAL A 94 8.217 -6.400 5.834 1.00 24.51 H new ATOM 0 HG12 VAL A 94 9.964 -6.630 6.077 1.00 24.51 H new ATOM 0 HG13 VAL A 94 9.346 -5.069 5.487 1.00 24.51 H new ATOM 0 HG21 VAL A 94 7.278 -6.293 3.551 1.00 42.23 H new ATOM 0 HG22 VAL A 94 8.369 -4.958 3.108 1.00 42.23 H new ATOM 0 HG23 VAL A 94 8.342 -6.446 2.132 1.00 42.23 H new ATOM 1516 N LYS A 95 11.560 -7.926 1.866 1.00 34.31 N ATOM 1517 CA LYS A 95 11.739 -8.531 0.551 1.00 1.33 C ATOM 1518 C LYS A 95 10.472 -9.258 0.111 1.00 10.03 C ATOM 1519 O LYS A 95 10.037 -9.131 -1.034 1.00 54.24 O ATOM 1520 CB LYS A 95 12.919 -9.505 0.570 1.00 1.32 C ATOM 1521 CG LYS A 95 14.230 -8.864 0.990 1.00 42.32 C ATOM 1522 CD LYS A 95 15.378 -9.306 0.098 1.00 40.22 C ATOM 1523 CE LYS A 95 15.465 -8.457 -1.161 1.00 0.21 C ATOM 1524 NZ LYS A 95 15.832 -7.046 -0.855 1.00 55.13 N ATOM 0 H LYS A 95 12.028 -8.422 2.625 1.00 34.31 H new ATOM 0 HA LYS A 95 11.947 -7.734 -0.163 1.00 1.33 H new ATOM 0 HB2 LYS A 95 12.691 -10.325 1.250 1.00 1.32 H new ATOM 0 HB3 LYS A 95 13.038 -9.938 -0.423 1.00 1.32 H new ATOM 0 HG2 LYS A 95 14.134 -7.779 0.951 1.00 42.32 H new ATOM 0 HG3 LYS A 95 14.450 -9.127 2.025 1.00 42.32 H new ATOM 0 HD2 LYS A 95 16.316 -9.238 0.650 1.00 40.22 H new ATOM 0 HD3 LYS A 95 15.245 -10.353 -0.176 1.00 40.22 H new ATOM 0 HE2 LYS A 95 16.204 -8.886 -1.838 1.00 0.21 H new ATOM 0 HE3 LYS A 95 14.507 -8.479 -1.680 1.00 0.21 H new ATOM 0 HZ1 LYS A 95 16.270 -6.612 -1.692 1.00 55.13 H new ATOM 0 HZ2 LYS A 95 14.977 -6.513 -0.596 1.00 55.13 H new ATOM 0 HZ3 LYS A 95 16.505 -7.026 -0.063 1.00 55.13 H new ATOM 1538 N ASP A 96 9.884 -10.019 1.028 1.00 4.23 N ATOM 1539 CA ASP A 96 8.665 -10.765 0.735 1.00 13.43 C ATOM 1540 C ASP A 96 7.650 -10.612 1.863 1.00 72.10 C ATOM 1541 O ASP A 96 8.018 -10.394 3.019 1.00 4.44 O ATOM 1542 CB ASP A 96 8.987 -12.244 0.518 1.00 12.01 C ATOM 1543 CG ASP A 96 9.819 -12.826 1.644 1.00 60.23 C ATOM 1544 OD1 ASP A 96 9.413 -12.684 2.817 1.00 33.23 O ATOM 1545 OD2 ASP A 96 10.875 -13.425 1.352 1.00 55.22 O ATOM 0 H ASP A 96 10.231 -10.136 1.980 1.00 4.23 H new ATOM 0 HA ASP A 96 8.230 -10.359 -0.178 1.00 13.43 H new ATOM 0 HB2 ASP A 96 8.057 -12.806 0.429 1.00 12.01 H new ATOM 0 HB3 ASP A 96 9.522 -12.362 -0.424 1.00 12.01 H new ATOM 1550 N THR A 97 6.371 -10.727 1.521 1.00 60.34 N ATOM 1551 CA THR A 97 5.302 -10.600 2.504 1.00 13.41 C ATOM 1552 C THR A 97 5.615 -11.401 3.763 1.00 51.02 C ATOM 1553 O THR A 97 5.519 -10.887 4.876 1.00 44.31 O ATOM 1554 CB THR A 97 3.953 -11.072 1.931 1.00 2.40 C ATOM 1555 OG1 THR A 97 3.515 -10.174 0.905 1.00 11.41 O ATOM 1556 CG2 THR A 97 2.899 -11.151 3.025 1.00 64.04 C ATOM 0 H THR A 97 6.050 -10.908 0.570 1.00 60.34 H new ATOM 0 HA THR A 97 5.230 -9.542 2.758 1.00 13.41 H new ATOM 0 HB THR A 97 4.091 -12.067 1.508 1.00 2.40 H new ATOM 0 HG1 THR A 97 3.016 -9.434 1.309 1.00 11.41 H new ATOM 0 HG21 THR A 97 1.954 -11.487 2.597 1.00 64.04 H new ATOM 0 HG22 THR A 97 3.221 -11.857 3.791 1.00 64.04 H new ATOM 0 HG23 THR A 97 2.765 -10.166 3.473 1.00 64.04 H new ATOM 1564 N GLU A 98 5.991 -12.662 3.578 1.00 62.42 N ATOM 1565 CA GLU A 98 6.318 -13.534 4.701 1.00 1.52 C ATOM 1566 C GLU A 98 7.304 -12.856 5.646 1.00 41.23 C ATOM 1567 O GLU A 98 7.307 -13.115 6.849 1.00 61.31 O ATOM 1568 CB GLU A 98 6.904 -14.854 4.196 1.00 42.13 C ATOM 1569 CG GLU A 98 6.013 -16.056 4.461 1.00 1.34 C ATOM 1570 CD GLU A 98 6.727 -17.156 5.221 1.00 62.34 C ATOM 1571 OE1 GLU A 98 7.560 -17.858 4.610 1.00 4.42 O ATOM 1572 OE2 GLU A 98 6.453 -17.315 6.430 1.00 41.42 O ATOM 0 H GLU A 98 6.077 -13.103 2.662 1.00 62.42 H new ATOM 0 HA GLU A 98 5.398 -13.739 5.249 1.00 1.52 H new ATOM 0 HB2 GLU A 98 7.084 -14.775 3.124 1.00 42.13 H new ATOM 0 HB3 GLU A 98 7.871 -15.018 4.671 1.00 42.13 H new ATOM 0 HG2 GLU A 98 5.138 -15.737 5.028 1.00 1.34 H new ATOM 0 HG3 GLU A 98 5.651 -16.451 3.512 1.00 1.34 H new ATOM 1579 N GLY A 99 8.143 -11.984 5.093 1.00 43.22 N ATOM 1580 CA GLY A 99 9.122 -11.282 5.902 1.00 15.34 C ATOM 1581 C GLY A 99 8.504 -10.175 6.732 1.00 23.01 C ATOM 1582 O GLY A 99 8.963 -9.889 7.837 1.00 63.22 O ATOM 0 H GLY A 99 8.162 -11.752 4.100 1.00 43.22 H new ATOM 0 HA2 GLY A 99 9.619 -11.992 6.563 1.00 15.34 H new ATOM 0 HA3 GLY A 99 9.889 -10.860 5.253 1.00 15.34 H new ATOM 1586 N ALA A 100 7.460 -9.550 6.198 1.00 63.41 N ATOM 1587 CA ALA A 100 6.777 -8.470 6.899 1.00 4.54 C ATOM 1588 C ALA A 100 5.911 -9.010 8.032 1.00 3.45 C ATOM 1589 O ALA A 100 5.700 -8.337 9.040 1.00 53.45 O ATOM 1590 CB ALA A 100 5.932 -7.660 5.925 1.00 31.43 C ATOM 0 H ALA A 100 7.069 -9.773 5.283 1.00 63.41 H new ATOM 0 HA ALA A 100 7.534 -7.818 7.336 1.00 4.54 H new ATOM 0 HB1 ALA A 100 5.427 -6.857 6.462 1.00 31.43 H new ATOM 0 HB2 ALA A 100 6.574 -7.234 5.154 1.00 31.43 H new ATOM 0 HB3 ALA A 100 5.189 -8.309 5.461 1.00 31.43 H new ATOM 1596 N LYS A 101 5.410 -10.227 7.857 1.00 72.23 N ATOM 1597 CA LYS A 101 4.566 -10.859 8.865 1.00 53.11 C ATOM 1598 C LYS A 101 5.375 -11.209 10.110 1.00 52.42 C ATOM 1599 O LYS A 101 4.824 -11.335 11.203 1.00 60.42 O ATOM 1600 CB LYS A 101 3.916 -12.122 8.296 1.00 41.52 C ATOM 1601 CG LYS A 101 2.546 -12.417 8.883 1.00 2.12 C ATOM 1602 CD LYS A 101 2.272 -13.910 8.936 1.00 33.50 C ATOM 1603 CE LYS A 101 2.243 -14.422 10.368 1.00 70.01 C ATOM 1604 NZ LYS A 101 1.256 -15.523 10.544 1.00 73.43 N ATOM 0 H LYS A 101 5.573 -10.796 7.027 1.00 72.23 H new ATOM 0 HA LYS A 101 3.787 -10.151 9.146 1.00 53.11 H new ATOM 0 HB2 LYS A 101 3.824 -12.018 7.215 1.00 41.52 H new ATOM 0 HB3 LYS A 101 4.572 -12.973 8.480 1.00 41.52 H new ATOM 0 HG2 LYS A 101 2.482 -11.999 9.887 1.00 2.12 H new ATOM 0 HG3 LYS A 101 1.779 -11.926 8.284 1.00 2.12 H new ATOM 0 HD2 LYS A 101 1.318 -14.123 8.453 1.00 33.50 H new ATOM 0 HD3 LYS A 101 3.040 -14.442 8.374 1.00 33.50 H new ATOM 0 HE2 LYS A 101 3.235 -14.776 10.647 1.00 70.01 H new ATOM 0 HE3 LYS A 101 1.996 -13.602 11.042 1.00 70.01 H new ATOM 0 HZ1 LYS A 101 1.267 -15.844 11.533 1.00 73.43 H new ATOM 0 HZ2 LYS A 101 0.305 -15.179 10.302 1.00 73.43 H new ATOM 0 HZ3 LYS A 101 1.506 -16.316 9.920 1.00 73.43 H new ATOM 1618 N GLN A 102 6.685 -11.359 9.937 1.00 63.55 N ATOM 1619 CA GLN A 102 7.568 -11.693 11.048 1.00 31.22 C ATOM 1620 C GLN A 102 8.053 -10.432 11.755 1.00 71.40 C ATOM 1621 O GLN A 102 7.879 -10.281 12.964 1.00 73.34 O ATOM 1622 CB GLN A 102 8.764 -12.506 10.549 1.00 72.23 C ATOM 1623 CG GLN A 102 8.569 -14.009 10.665 1.00 15.25 C ATOM 1624 CD GLN A 102 9.122 -14.572 11.959 1.00 63.02 C ATOM 1625 OE1 GLN A 102 8.446 -14.569 12.989 1.00 10.41 O ATOM 1626 NE2 GLN A 102 10.355 -15.061 11.913 1.00 41.13 N ATOM 0 H GLN A 102 7.157 -11.255 9.039 1.00 63.55 H new ATOM 0 HA GLN A 102 7.003 -12.293 11.762 1.00 31.22 H new ATOM 0 HB2 GLN A 102 8.956 -12.252 9.506 1.00 72.23 H new ATOM 0 HB3 GLN A 102 9.650 -12.218 11.115 1.00 72.23 H new ATOM 0 HG2 GLN A 102 7.506 -14.240 10.598 1.00 15.25 H new ATOM 0 HG3 GLN A 102 9.055 -14.501 9.822 1.00 15.25 H new ATOM 0 HE21 GLN A 102 10.878 -15.043 11.038 1.00 41.13 H new ATOM 0 HE22 GLN A 102 10.779 -15.455 12.753 1.00 41.13 H new ATOM 1635 N ILE A 103 8.663 -9.530 10.992 1.00 63.12 N ATOM 1636 CA ILE A 103 9.172 -8.282 11.546 1.00 53.13 C ATOM 1637 C ILE A 103 8.099 -7.560 12.354 1.00 34.30 C ATOM 1638 O ILE A 103 8.348 -7.105 13.470 1.00 62.40 O ATOM 1639 CB ILE A 103 9.685 -7.343 10.438 1.00 72.22 C ATOM 1640 CG1 ILE A 103 10.827 -8.005 9.666 1.00 50.10 C ATOM 1641 CG2 ILE A 103 10.140 -6.019 11.035 1.00 25.21 C ATOM 1642 CD1 ILE A 103 11.333 -7.176 8.506 1.00 71.01 C ATOM 0 H ILE A 103 8.816 -9.641 9.990 1.00 63.12 H new ATOM 0 HA ILE A 103 10.002 -8.543 12.203 1.00 53.13 H new ATOM 0 HB ILE A 103 8.869 -7.145 9.743 1.00 72.22 H new ATOM 0 HG12 ILE A 103 11.653 -8.199 10.351 1.00 50.10 H new ATOM 0 HG13 ILE A 103 10.489 -8.971 9.291 1.00 50.10 H new ATOM 0 HG21 ILE A 103 10.500 -5.366 10.240 1.00 25.21 H new ATOM 0 HG22 ILE A 103 9.302 -5.543 11.545 1.00 25.21 H new ATOM 0 HG23 ILE A 103 10.944 -6.199 11.749 1.00 25.21 H new ATOM 0 HD11 ILE A 103 12.142 -7.707 8.005 1.00 71.01 H new ATOM 0 HD12 ILE A 103 10.520 -7.003 7.800 1.00 71.01 H new ATOM 0 HD13 ILE A 103 11.702 -6.219 8.876 1.00 71.01 H new ATOM 1654 N VAL A 104 6.903 -7.459 11.781 1.00 15.31 N ATOM 1655 CA VAL A 104 5.791 -6.794 12.448 1.00 61.41 C ATOM 1656 C VAL A 104 5.316 -7.596 13.656 1.00 54.33 C ATOM 1657 O VAL A 104 5.096 -7.042 14.733 1.00 43.45 O ATOM 1658 CB VAL A 104 4.605 -6.585 11.488 1.00 41.54 C ATOM 1659 CG1 VAL A 104 3.412 -6.003 12.231 1.00 71.50 C ATOM 1660 CG2 VAL A 104 5.011 -5.686 10.329 1.00 72.24 C ATOM 0 H VAL A 104 6.680 -7.829 10.857 1.00 15.31 H new ATOM 0 HA VAL A 104 6.157 -5.822 12.780 1.00 61.41 H new ATOM 0 HB VAL A 104 4.313 -7.554 11.083 1.00 41.54 H new ATOM 0 HG11 VAL A 104 2.584 -5.862 11.536 1.00 71.50 H new ATOM 0 HG12 VAL A 104 3.108 -6.687 13.024 1.00 71.50 H new ATOM 0 HG13 VAL A 104 3.688 -5.042 12.666 1.00 71.50 H new ATOM 0 HG21 VAL A 104 4.161 -5.549 9.660 1.00 72.24 H new ATOM 0 HG22 VAL A 104 5.330 -4.717 10.714 1.00 72.24 H new ATOM 0 HG23 VAL A 104 5.833 -6.147 9.781 1.00 72.24 H new ATOM 1670 N ARG A 105 5.163 -8.903 13.469 1.00 11.22 N ATOM 1671 CA ARG A 105 4.714 -9.780 14.543 1.00 32.44 C ATOM 1672 C ARG A 105 5.559 -9.580 15.798 1.00 30.22 C ATOM 1673 O ARG A 105 5.037 -9.560 16.912 1.00 74.23 O ATOM 1674 CB ARG A 105 4.781 -11.242 14.097 1.00 11.33 C ATOM 1675 CG ARG A 105 4.574 -12.235 15.229 1.00 40.51 C ATOM 1676 CD ARG A 105 4.648 -13.670 14.733 1.00 31.31 C ATOM 1677 NE ARG A 105 4.271 -14.628 15.769 1.00 42.04 N ATOM 1678 CZ ARG A 105 4.549 -15.925 15.707 1.00 44.41 C ATOM 1679 NH1 ARG A 105 5.203 -16.416 14.664 1.00 34.52 N ATOM 1680 NH2 ARG A 105 4.172 -16.733 16.689 1.00 41.12 N ATOM 0 H ARG A 105 5.343 -9.377 12.584 1.00 11.22 H new ATOM 0 HA ARG A 105 3.680 -9.526 14.778 1.00 32.44 H new ATOM 0 HB2 ARG A 105 4.025 -11.414 13.331 1.00 11.33 H new ATOM 0 HB3 ARG A 105 5.751 -11.428 13.635 1.00 11.33 H new ATOM 0 HG2 ARG A 105 5.331 -12.075 15.997 1.00 40.51 H new ATOM 0 HG3 ARG A 105 3.604 -12.060 15.695 1.00 40.51 H new ATOM 0 HD2 ARG A 105 3.991 -13.790 13.872 1.00 31.31 H new ATOM 0 HD3 ARG A 105 5.661 -13.884 14.393 1.00 31.31 H new ATOM 0 HE ARG A 105 3.766 -14.282 16.585 1.00 42.04 H new ATOM 0 HH11 ARG A 105 5.494 -15.797 13.907 1.00 34.52 H new ATOM 0 HH12 ARG A 105 5.416 -17.413 14.618 1.00 34.52 H new ATOM 0 HH21 ARG A 105 3.668 -16.358 17.493 1.00 41.12 H new ATOM 0 HH22 ARG A 105 4.386 -17.729 16.640 1.00 41.12 H new ATOM 1694 N ARG A 106 6.866 -9.434 15.607 1.00 73.23 N ATOM 1695 CA ARG A 106 7.784 -9.237 16.723 1.00 23.44 C ATOM 1696 C ARG A 106 7.495 -7.921 17.439 1.00 71.54 C ATOM 1697 O ARG A 106 7.525 -7.851 18.668 1.00 3.34 O ATOM 1698 CB ARG A 106 9.231 -9.255 16.229 1.00 70.24 C ATOM 1699 CG ARG A 106 10.048 -10.412 16.781 1.00 61.41 C ATOM 1700 CD ARG A 106 10.149 -10.351 18.297 1.00 53.12 C ATOM 1701 NE ARG A 106 11.458 -10.788 18.777 1.00 25.21 N ATOM 1702 CZ ARG A 106 11.829 -10.733 20.050 1.00 53.44 C ATOM 1703 NH1 ARG A 106 10.996 -10.261 20.967 1.00 52.23 N ATOM 1704 NH2 ARG A 106 13.037 -11.149 20.409 1.00 3.21 N ATOM 0 H ARG A 106 7.313 -9.448 14.690 1.00 73.23 H new ATOM 0 HA ARG A 106 7.639 -10.054 17.430 1.00 23.44 H new ATOM 0 HB2 ARG A 106 9.234 -9.306 15.140 1.00 70.24 H new ATOM 0 HB3 ARG A 106 9.712 -8.317 16.505 1.00 70.24 H new ATOM 0 HG2 ARG A 106 9.591 -11.356 16.484 1.00 61.41 H new ATOM 0 HG3 ARG A 106 11.048 -10.392 16.348 1.00 61.41 H new ATOM 0 HD2 ARG A 106 9.962 -9.331 18.632 1.00 53.12 H new ATOM 0 HD3 ARG A 106 9.374 -10.978 18.737 1.00 53.12 H new ATOM 0 HE ARG A 106 12.123 -11.155 18.096 1.00 25.21 H new ATOM 0 HH11 ARG A 106 10.067 -9.939 20.695 1.00 52.23 H new ATOM 0 HH12 ARG A 106 11.284 -10.220 21.945 1.00 52.23 H new ATOM 0 HH21 ARG A 106 13.681 -11.511 19.706 1.00 3.21 H new ATOM 0 HH22 ARG A 106 13.321 -11.106 21.388 1.00 3.21 H new ATOM 1718 N HIS A 107 7.215 -6.879 16.662 1.00 32.35 N ATOM 1719 CA HIS A 107 6.921 -5.565 17.220 1.00 54.45 C ATOM 1720 C HIS A 107 5.640 -5.602 18.049 1.00 22.00 C ATOM 1721 O HIS A 107 5.567 -4.841 19.015 1.00 10.42 O ATOM 1722 CB HIS A 107 6.789 -4.530 16.103 1.00 2.31 C ATOM 1723 CG HIS A 107 8.095 -4.165 15.467 1.00 51.41 C ATOM 1724 ND1 HIS A 107 9.235 -3.893 16.192 1.00 15.01 N ATOM 1725 CD2 HIS A 107 8.438 -4.030 14.165 1.00 53.31 C ATOM 1726 CE1 HIS A 107 10.224 -3.605 15.363 1.00 62.44 C ATOM 1727 NE2 HIS A 107 9.766 -3.681 14.127 1.00 22.42 N ATOM 0 H HIS A 107 7.186 -6.920 15.643 1.00 32.35 H new ATOM 0 HA HIS A 107 7.748 -5.281 17.871 1.00 54.45 H new ATOM 0 HB2 HIS A 107 6.117 -4.918 15.337 1.00 2.31 H new ATOM 0 HB3 HIS A 107 6.326 -3.629 16.506 1.00 2.31 H new ATOM 0 HD2 HIS A 107 7.788 -4.171 13.314 1.00 53.31 H new ATOM 0 HE1 HIS A 107 11.234 -3.351 15.648 1.00 62.44 H new ATOM 0 HE2 HIS A 107 10.310 -3.509 13.281 1.00 22.42 H new ATOM 1735 N LEU A 108 4.662 -6.437 17.711 1.00 55.31 N ATOM 1736 CA LEU A 108 3.420 -6.508 18.472 1.00 72.33 C ATOM 1737 C LEU A 108 3.635 -7.232 19.798 1.00 42.02 C ATOM 1738 O LEU A 108 3.219 -6.753 20.853 1.00 3.10 O ATOM 1739 CB LEU A 108 2.340 -7.221 17.658 1.00 31.14 C ATOM 1740 CG LEU A 108 1.872 -6.505 16.391 1.00 11.21 C ATOM 1741 CD1 LEU A 108 1.257 -7.495 15.414 1.00 1.12 C ATOM 1742 CD2 LEU A 108 0.878 -5.406 16.737 1.00 13.33 C ATOM 0 H LEU A 108 4.706 -7.074 16.915 1.00 55.31 H new ATOM 0 HA LEU A 108 3.093 -5.490 18.684 1.00 72.33 H new ATOM 0 HB2 LEU A 108 2.715 -8.205 17.377 1.00 31.14 H new ATOM 0 HB3 LEU A 108 1.475 -7.381 18.301 1.00 31.14 H new ATOM 0 HG LEU A 108 2.738 -6.047 15.914 1.00 11.21 H new ATOM 0 HD11 LEU A 108 0.930 -6.967 14.518 1.00 1.12 H new ATOM 0 HD12 LEU A 108 1.999 -8.246 15.142 1.00 1.12 H new ATOM 0 HD13 LEU A 108 0.401 -7.983 15.881 1.00 1.12 H new ATOM 0 HD21 LEU A 108 0.555 -4.907 15.824 1.00 13.33 H new ATOM 0 HD22 LEU A 108 0.013 -5.842 17.237 1.00 13.33 H new ATOM 0 HD23 LEU A 108 1.353 -4.681 17.398 1.00 13.33 H new