USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1066 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 14 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 151 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Set 2.1: A 95 LYS NZ :NH3+ 166:sc= 0.817 (180deg=0) USER MOD Set 2.2: A 147 TYR OH : rot 3:sc= 1.25 USER MOD Set 3.1: A 127 HIS : no HD1:sc= 0 X(o=-0.054,f=-0.013) USER MOD Set 3.2: A 129 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=-0.013) USER MOD Set 4.1: A 24 TYR OH : rot -144:sc= -1.4! USER MOD Set 4.2: A 36 SER OG : rot 53:sc= 0.206 USER MOD Single : A 10 THR OG1 : rot 38:sc= 0.258 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 15 LYS NZ :NH3+ 135:sc= 1.07 (180deg=0.394) USER MOD Single : A 16 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.049) USER MOD Single : A 18 THR OG1 : rot 5:sc= 0.602 USER MOD Single : A 20 MET CE :methyl 161:sc= -1.98 (180deg=-2.98!) USER MOD Single : A 26 ASN : amide:sc= -0.873 K(o=-0.87,f=-3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.62 K(o=-0.62,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -32:sc= 0.322 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc=-0.00748 K(o=-0.0075,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00472) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0127) USER MOD Single : A 55 TYR OH : rot 48:sc= 0.0436 USER MOD Single : A 58 MET CE :methyl -117:sc= -2.21 (180deg=-3.95!) USER MOD Single : A 62 THR OG1 : rot 63:sc= -0.418 USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= 0.0512 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.0301 X(o=-0.03,f=-0.01) USER MOD Single : A 76 THR OG1 : rot 60:sc= -1.7! USER MOD Single : A 81 LYS NZ :NH3+ 142:sc= -0.394 (180deg=-2.28!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.166 USER MOD Single : A 100 SER OG : rot 180:sc= -0.233 USER MOD Single : A 104 GLN : amide:sc= 0.012 X(o=0.012,f=-0.0043) USER MOD Single : A 114 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.0049) USER MOD Single : A 115 THR OG1 : rot 169:sc= 0.72 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.82) USER MOD Single : A 119 TYR OH : rot -143:sc= 0.806 USER MOD Single : A 120 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.2) USER MOD Single : A 122 TYR OH : rot 180:sc= -0.0365 USER MOD Single : A 124 GLN : amide:sc= -2.1! K(o=-2.1!,f=-0.16) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 HIS : no HD1:sc= 0.0418 X(o=0.042,f=-0.44) USER MOD Single : A 140 GLN : amide:sc= -1.95! C(o=-2!,f=-4.4!) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 139 N THR A 10 -8.884 3.772 -11.511 1.00 23.24 N ATOM 140 CA THR A 10 -8.251 2.730 -12.335 1.00 23.32 C ATOM 141 C THR A 10 -6.787 2.516 -11.864 1.00 53.51 C ATOM 142 O THR A 10 -6.219 3.367 -11.158 1.00 64.15 O ATOM 143 CB THR A 10 -8.330 3.132 -13.850 1.00 0.20 C ATOM 144 OG1 THR A 10 -9.680 3.513 -14.157 1.00 52.11 O ATOM 145 CG2 THR A 10 -7.915 1.995 -14.814 1.00 23.14 C ATOM 0 HA THR A 10 -8.780 1.784 -12.218 1.00 23.32 H new ATOM 0 HB THR A 10 -7.627 3.952 -13.995 1.00 0.20 H new ATOM 0 HG1 THR A 10 -10.061 4.006 -13.401 1.00 52.11 H new ATOM 0 HG21 THR A 10 -7.994 2.344 -15.844 1.00 23.14 H new ATOM 0 HG22 THR A 10 -6.886 1.701 -14.608 1.00 23.14 H new ATOM 0 HG23 THR A 10 -8.573 1.138 -14.670 1.00 23.14 H new ATOM 153 N THR A 11 -6.186 1.385 -12.286 1.00 14.00 N ATOM 154 CA THR A 11 -4.862 0.903 -11.846 1.00 54.54 C ATOM 155 C THR A 11 -3.706 1.923 -12.013 1.00 21.31 C ATOM 156 O THR A 11 -2.678 1.742 -11.382 1.00 13.21 O ATOM 157 CB THR A 11 -4.507 -0.439 -12.576 1.00 62.22 C ATOM 158 OG1 THR A 11 -4.569 -0.247 -13.998 1.00 64.22 O ATOM 159 CG2 THR A 11 -5.465 -1.585 -12.180 1.00 43.05 C ATOM 0 H THR A 11 -6.624 0.762 -12.965 1.00 14.00 H new ATOM 0 HA THR A 11 -4.954 0.744 -10.772 1.00 54.54 H new ATOM 0 HB THR A 11 -3.499 -0.720 -12.272 1.00 62.22 H new ATOM 0 HG1 THR A 11 -4.345 -1.086 -14.452 1.00 64.22 H new ATOM 0 HG21 THR A 11 -5.182 -2.495 -12.709 1.00 43.05 H new ATOM 0 HG22 THR A 11 -5.403 -1.756 -11.105 1.00 43.05 H new ATOM 0 HG23 THR A 11 -6.487 -1.313 -12.446 1.00 43.05 H new ATOM 167 N TYR A 12 -3.873 2.964 -12.869 1.00 55.25 N ATOM 168 CA TYR A 12 -2.836 4.019 -13.094 1.00 71.11 C ATOM 169 C TYR A 12 -2.368 4.653 -11.757 1.00 4.41 C ATOM 170 O TYR A 12 -1.178 4.933 -11.572 1.00 43.31 O ATOM 171 CB TYR A 12 -3.356 5.124 -14.078 1.00 64.01 C ATOM 172 CG TYR A 12 -4.469 6.058 -13.520 1.00 41.44 C ATOM 173 CD1 TYR A 12 -4.154 7.241 -12.832 1.00 14.40 C ATOM 174 CD2 TYR A 12 -5.823 5.754 -13.673 1.00 64.54 C ATOM 175 CE1 TYR A 12 -5.138 8.066 -12.328 1.00 52.22 C ATOM 176 CE2 TYR A 12 -6.811 6.583 -13.169 1.00 20.40 C ATOM 177 CZ TYR A 12 -6.463 7.736 -12.497 1.00 32.42 C ATOM 178 OH TYR A 12 -7.440 8.566 -11.995 1.00 60.12 O ATOM 0 H TYR A 12 -4.720 3.100 -13.421 1.00 55.25 H new ATOM 0 HA TYR A 12 -1.975 3.533 -13.552 1.00 71.11 H new ATOM 0 HB2 TYR A 12 -2.510 5.740 -14.383 1.00 64.01 H new ATOM 0 HB3 TYR A 12 -3.734 4.635 -14.976 1.00 64.01 H new ATOM 0 HD1 TYR A 12 -3.117 7.511 -12.694 1.00 14.40 H new ATOM 0 HD2 TYR A 12 -6.106 4.852 -14.196 1.00 64.54 H new ATOM 0 HE1 TYR A 12 -4.869 8.970 -11.801 1.00 52.22 H new ATOM 0 HE2 TYR A 12 -7.852 6.327 -13.302 1.00 20.40 H new ATOM 0 HH TYR A 12 -8.323 8.193 -12.199 1.00 60.12 H new ATOM 188 N ALA A 13 -3.332 4.851 -10.837 1.00 74.33 N ATOM 189 CA ALA A 13 -3.081 5.436 -9.507 1.00 14.33 C ATOM 190 C ALA A 13 -2.200 4.499 -8.658 1.00 51.11 C ATOM 191 O ALA A 13 -1.244 4.929 -7.998 1.00 63.51 O ATOM 192 CB ALA A 13 -4.424 5.705 -8.810 1.00 21.24 C ATOM 0 H ALA A 13 -4.310 4.609 -10.997 1.00 74.33 H new ATOM 0 HA ALA A 13 -2.545 6.378 -9.623 1.00 14.33 H new ATOM 0 HB1 ALA A 13 -4.243 6.138 -7.826 1.00 21.24 H new ATOM 0 HB2 ALA A 13 -5.012 6.400 -9.409 1.00 21.24 H new ATOM 0 HB3 ALA A 13 -4.971 4.768 -8.700 1.00 21.24 H new ATOM 198 N SER A 14 -2.552 3.207 -8.710 1.00 42.35 N ATOM 199 CA SER A 14 -1.847 2.134 -7.997 1.00 45.42 C ATOM 200 C SER A 14 -0.439 1.885 -8.589 1.00 21.24 C ATOM 201 O SER A 14 0.497 1.571 -7.857 1.00 50.11 O ATOM 202 CB SER A 14 -2.704 0.849 -8.051 1.00 34.54 C ATOM 203 OG SER A 14 -4.008 1.075 -7.522 1.00 74.33 O ATOM 0 H SER A 14 -3.346 2.874 -9.257 1.00 42.35 H new ATOM 0 HA SER A 14 -1.704 2.435 -6.959 1.00 45.42 H new ATOM 0 HB2 SER A 14 -2.782 0.504 -9.082 1.00 34.54 H new ATOM 0 HB3 SER A 14 -2.212 0.057 -7.486 1.00 34.54 H new ATOM 0 HG SER A 14 -4.529 0.246 -7.570 1.00 74.33 H new ATOM 209 N LYS A 15 -0.315 2.076 -9.915 1.00 24.10 N ATOM 210 CA LYS A 15 0.921 1.816 -10.681 1.00 11.44 C ATOM 211 C LYS A 15 2.023 2.813 -10.324 1.00 12.54 C ATOM 212 O LYS A 15 3.170 2.423 -10.132 1.00 54.23 O ATOM 213 CB LYS A 15 0.634 1.858 -12.217 1.00 50.02 C ATOM 214 CG LYS A 15 0.107 0.534 -12.811 1.00 2.54 C ATOM 215 CD LYS A 15 1.188 -0.574 -12.802 1.00 74.02 C ATOM 216 CE LYS A 15 0.703 -1.875 -13.453 1.00 41.44 C ATOM 217 NZ LYS A 15 1.779 -2.900 -13.519 1.00 23.00 N ATOM 0 H LYS A 15 -1.081 2.420 -10.494 1.00 24.10 H new ATOM 0 HA LYS A 15 1.270 0.819 -10.412 1.00 11.44 H new ATOM 0 HB2 LYS A 15 -0.094 2.645 -12.415 1.00 50.02 H new ATOM 0 HB3 LYS A 15 1.551 2.134 -12.737 1.00 50.02 H new ATOM 0 HG2 LYS A 15 -0.760 0.200 -12.241 1.00 2.54 H new ATOM 0 HG3 LYS A 15 -0.230 0.704 -13.834 1.00 2.54 H new ATOM 0 HD2 LYS A 15 2.074 -0.217 -13.328 1.00 74.02 H new ATOM 0 HD3 LYS A 15 1.488 -0.776 -11.774 1.00 74.02 H new ATOM 0 HE2 LYS A 15 -0.141 -2.271 -12.887 1.00 41.44 H new ATOM 0 HE3 LYS A 15 0.341 -1.664 -14.459 1.00 41.44 H new ATOM 0 HZ1 LYS A 15 1.400 -3.821 -13.218 1.00 23.00 H new ATOM 0 HZ2 LYS A 15 2.130 -2.973 -14.495 1.00 23.00 H new ATOM 0 HZ3 LYS A 15 2.560 -2.624 -12.890 1.00 23.00 H new ATOM 231 N GLN A 16 1.665 4.098 -10.260 1.00 41.35 N ATOM 232 CA GLN A 16 2.629 5.179 -9.973 1.00 12.33 C ATOM 233 C GLN A 16 2.999 5.214 -8.483 1.00 62.42 C ATOM 234 O GLN A 16 4.046 5.761 -8.108 1.00 12.41 O ATOM 235 CB GLN A 16 2.065 6.535 -10.459 1.00 1.22 C ATOM 236 CG GLN A 16 1.729 6.576 -11.969 1.00 25.21 C ATOM 237 CD GLN A 16 2.895 6.132 -12.869 1.00 75.10 C ATOM 238 OE1 GLN A 16 3.006 4.956 -13.233 1.00 53.32 O ATOM 239 NE2 GLN A 16 3.771 7.061 -13.222 1.00 64.13 N ATOM 0 H GLN A 16 0.709 4.423 -10.403 1.00 41.35 H new ATOM 0 HA GLN A 16 3.550 4.981 -10.521 1.00 12.33 H new ATOM 0 HB2 GLN A 16 1.164 6.766 -9.891 1.00 1.22 H new ATOM 0 HB3 GLN A 16 2.790 7.318 -10.238 1.00 1.22 H new ATOM 0 HG2 GLN A 16 0.869 5.934 -12.159 1.00 25.21 H new ATOM 0 HG3 GLN A 16 1.436 7.590 -12.241 1.00 25.21 H new ATOM 0 HE21 GLN A 16 3.650 8.023 -12.904 1.00 64.13 H new ATOM 0 HE22 GLN A 16 4.566 6.815 -13.811 1.00 64.13 H new ATOM 248 N ALA A 17 2.138 4.611 -7.647 1.00 33.20 N ATOM 249 CA ALA A 17 2.425 4.413 -6.225 1.00 43.40 C ATOM 250 C ALA A 17 3.476 3.304 -6.043 1.00 33.04 C ATOM 251 O ALA A 17 4.471 3.493 -5.342 1.00 13.21 O ATOM 252 CB ALA A 17 1.137 4.090 -5.460 1.00 32.02 C ATOM 0 H ALA A 17 1.230 4.251 -7.940 1.00 33.20 H new ATOM 0 HA ALA A 17 2.835 5.336 -5.815 1.00 43.40 H new ATOM 0 HB1 ALA A 17 1.367 3.946 -4.404 1.00 32.02 H new ATOM 0 HB2 ALA A 17 0.433 4.915 -5.568 1.00 32.02 H new ATOM 0 HB3 ALA A 17 0.693 3.179 -5.862 1.00 32.02 H new ATOM 258 N THR A 18 3.250 2.156 -6.701 1.00 55.30 N ATOM 259 CA THR A 18 4.165 0.994 -6.654 1.00 61.02 C ATOM 260 C THR A 18 5.494 1.290 -7.373 1.00 73.22 C ATOM 261 O THR A 18 6.536 0.722 -7.022 1.00 4.21 O ATOM 262 CB THR A 18 3.493 -0.267 -7.277 1.00 43.02 C ATOM 263 OG1 THR A 18 3.016 0.017 -8.605 1.00 23.12 O ATOM 264 CG2 THR A 18 2.317 -0.766 -6.431 1.00 3.31 C ATOM 0 H THR A 18 2.427 2.003 -7.283 1.00 55.30 H new ATOM 0 HA THR A 18 4.383 0.797 -5.604 1.00 61.02 H new ATOM 0 HB THR A 18 4.256 -1.045 -7.310 1.00 43.02 H new ATOM 0 HG1 THR A 18 3.284 0.924 -8.862 1.00 23.12 H new ATOM 0 HG21 THR A 18 1.878 -1.646 -6.901 1.00 3.31 H new ATOM 0 HG22 THR A 18 2.671 -1.026 -5.434 1.00 3.31 H new ATOM 0 HG23 THR A 18 1.564 0.019 -6.355 1.00 3.31 H new ATOM 272 N ASP A 19 5.430 2.181 -8.378 1.00 34.55 N ATOM 273 CA ASP A 19 6.610 2.672 -9.113 1.00 15.44 C ATOM 274 C ASP A 19 7.498 3.503 -8.174 1.00 23.01 C ATOM 275 O ASP A 19 8.728 3.450 -8.255 1.00 41.35 O ATOM 276 CB ASP A 19 6.167 3.518 -10.336 1.00 54.43 C ATOM 277 CG ASP A 19 7.338 4.019 -11.199 1.00 3.44 C ATOM 278 OD1 ASP A 19 7.958 3.195 -11.909 1.00 64.14 O ATOM 279 OD2 ASP A 19 7.657 5.228 -11.159 1.00 55.33 O ATOM 0 H ASP A 19 4.552 2.584 -8.706 1.00 34.55 H new ATOM 0 HA ASP A 19 7.185 1.820 -9.477 1.00 15.44 H new ATOM 0 HB2 ASP A 19 5.499 2.921 -10.957 1.00 54.43 H new ATOM 0 HB3 ASP A 19 5.593 4.376 -9.985 1.00 54.43 H new ATOM 284 N MET A 20 6.843 4.267 -7.279 1.00 15.52 N ATOM 285 CA MET A 20 7.528 5.041 -6.234 1.00 33.43 C ATOM 286 C MET A 20 8.231 4.080 -5.251 1.00 2.43 C ATOM 287 O MET A 20 9.355 4.332 -4.807 1.00 14.30 O ATOM 288 CB MET A 20 6.506 5.912 -5.458 1.00 43.51 C ATOM 289 CG MET A 20 7.112 7.084 -4.676 1.00 11.21 C ATOM 290 SD MET A 20 7.602 8.444 -5.758 1.00 2.24 S ATOM 291 CE MET A 20 6.045 8.796 -6.582 1.00 34.35 C ATOM 0 H MET A 20 5.828 4.363 -7.262 1.00 15.52 H new ATOM 0 HA MET A 20 8.267 5.689 -6.704 1.00 33.43 H new ATOM 0 HB2 MET A 20 5.776 6.306 -6.166 1.00 43.51 H new ATOM 0 HB3 MET A 20 5.962 5.273 -4.762 1.00 43.51 H new ATOM 0 HG2 MET A 20 6.387 7.445 -3.946 1.00 11.21 H new ATOM 0 HG3 MET A 20 7.980 6.735 -4.117 1.00 11.21 H new ATOM 0 HE1 MET A 20 6.081 9.795 -7.016 1.00 34.35 H new ATOM 0 HE2 MET A 20 5.877 8.063 -7.371 1.00 34.35 H new ATOM 0 HE3 MET A 20 5.231 8.744 -5.859 1.00 34.35 H new ATOM 301 N GLY A 21 7.540 2.963 -4.948 1.00 33.21 N ATOM 302 CA GLY A 21 8.067 1.913 -4.076 1.00 74.04 C ATOM 303 C GLY A 21 7.039 1.354 -3.097 1.00 20.12 C ATOM 304 O GLY A 21 7.411 0.625 -2.160 1.00 70.41 O ATOM 0 H GLY A 21 6.604 2.771 -5.304 1.00 33.21 H new ATOM 0 HA2 GLY A 21 8.449 1.099 -4.692 1.00 74.04 H new ATOM 0 HA3 GLY A 21 8.912 2.310 -3.514 1.00 74.04 H new ATOM 308 N ALA A 22 5.748 1.682 -3.309 1.00 71.52 N ATOM 309 CA ALA A 22 4.648 1.201 -2.448 1.00 53.43 C ATOM 310 C ALA A 22 4.431 -0.314 -2.605 1.00 45.40 C ATOM 311 O ALA A 22 4.571 -0.861 -3.706 1.00 1.11 O ATOM 312 CB ALA A 22 3.353 1.969 -2.735 1.00 65.22 C ATOM 0 H ALA A 22 5.440 2.282 -4.074 1.00 71.52 H new ATOM 0 HA ALA A 22 4.934 1.389 -1.413 1.00 53.43 H new ATOM 0 HB1 ALA A 22 2.558 1.597 -2.089 1.00 65.22 H new ATOM 0 HB2 ALA A 22 3.509 3.031 -2.543 1.00 65.22 H new ATOM 0 HB3 ALA A 22 3.069 1.827 -3.778 1.00 65.22 H new ATOM 318 N ILE A 23 4.089 -0.970 -1.492 1.00 21.42 N ATOM 319 CA ILE A 23 3.955 -2.436 -1.413 1.00 74.31 C ATOM 320 C ILE A 23 2.477 -2.846 -1.329 1.00 13.43 C ATOM 321 O ILE A 23 1.632 -2.083 -0.838 1.00 31.01 O ATOM 322 CB ILE A 23 4.724 -2.998 -0.152 1.00 51.11 C ATOM 323 CG1 ILE A 23 4.148 -2.369 1.171 1.00 13.22 C ATOM 324 CG2 ILE A 23 6.252 -2.742 -0.280 1.00 21.21 C ATOM 325 CD1 ILE A 23 4.703 -2.939 2.465 1.00 22.51 C ATOM 0 H ILE A 23 3.894 -0.498 -0.609 1.00 21.42 H new ATOM 0 HA ILE A 23 4.391 -2.858 -2.319 1.00 74.31 H new ATOM 0 HB ILE A 23 4.571 -4.076 -0.105 1.00 51.11 H new ATOM 0 HG12 ILE A 23 4.340 -1.296 1.156 1.00 13.22 H new ATOM 0 HG13 ILE A 23 3.066 -2.499 1.173 1.00 13.22 H new ATOM 0 HG21 ILE A 23 6.762 -3.137 0.599 1.00 21.21 H new ATOM 0 HG22 ILE A 23 6.631 -3.239 -1.173 1.00 21.21 H new ATOM 0 HG23 ILE A 23 6.436 -1.670 -0.355 1.00 21.21 H new ATOM 0 HD11 ILE A 23 4.239 -2.435 3.313 1.00 22.51 H new ATOM 0 HD12 ILE A 23 4.487 -4.006 2.514 1.00 22.51 H new ATOM 0 HD13 ILE A 23 5.782 -2.785 2.497 1.00 22.51 H new ATOM 337 N TYR A 24 2.177 -4.059 -1.803 1.00 11.12 N ATOM 338 CA TYR A 24 0.867 -4.685 -1.590 1.00 4.51 C ATOM 339 C TYR A 24 0.963 -5.695 -0.443 1.00 74.11 C ATOM 340 O TYR A 24 1.856 -6.552 -0.418 1.00 14.32 O ATOM 341 CB TYR A 24 0.344 -5.385 -2.861 1.00 61.21 C ATOM 342 CG TYR A 24 -0.197 -4.438 -3.935 1.00 31.54 C ATOM 343 CD1 TYR A 24 -1.387 -3.734 -3.735 1.00 43.50 C ATOM 344 CD2 TYR A 24 0.444 -4.275 -5.158 1.00 14.14 C ATOM 345 CE1 TYR A 24 -1.897 -2.904 -4.714 1.00 62.13 C ATOM 346 CE2 TYR A 24 -0.068 -3.439 -6.126 1.00 52.10 C ATOM 347 CZ TYR A 24 -1.235 -2.766 -5.905 1.00 74.44 C ATOM 348 OH TYR A 24 -1.749 -1.952 -6.883 1.00 30.01 O ATOM 0 H TYR A 24 2.828 -4.631 -2.341 1.00 11.12 H new ATOM 0 HA TYR A 24 0.159 -3.896 -1.337 1.00 4.51 H new ATOM 0 HB2 TYR A 24 1.151 -5.978 -3.291 1.00 61.21 H new ATOM 0 HB3 TYR A 24 -0.446 -6.081 -2.578 1.00 61.21 H new ATOM 0 HD1 TYR A 24 -1.917 -3.841 -2.800 1.00 43.50 H new ATOM 0 HD2 TYR A 24 1.360 -4.813 -5.353 1.00 14.14 H new ATOM 0 HE1 TYR A 24 -2.816 -2.365 -4.541 1.00 62.13 H new ATOM 0 HE2 TYR A 24 0.455 -3.316 -7.063 1.00 52.10 H new ATOM 0 HH TYR A 24 -1.573 -2.346 -7.763 1.00 30.01 H new ATOM 358 N VAL A 25 0.051 -5.549 0.519 1.00 23.13 N ATOM 359 CA VAL A 25 -0.215 -6.541 1.566 1.00 13.02 C ATOM 360 C VAL A 25 -1.651 -7.063 1.386 1.00 52.32 C ATOM 361 O VAL A 25 -2.309 -6.715 0.413 1.00 22.35 O ATOM 362 CB VAL A 25 0.011 -5.945 3.010 1.00 54.13 C ATOM 363 CG1 VAL A 25 1.487 -5.517 3.215 1.00 13.24 C ATOM 364 CG2 VAL A 25 -0.959 -4.774 3.311 1.00 35.43 C ATOM 0 H VAL A 25 -0.538 -4.719 0.595 1.00 23.13 H new ATOM 0 HA VAL A 25 0.489 -7.367 1.469 1.00 13.02 H new ATOM 0 HB VAL A 25 -0.211 -6.738 3.724 1.00 54.13 H new ATOM 0 HG11 VAL A 25 1.612 -5.110 4.219 1.00 13.24 H new ATOM 0 HG12 VAL A 25 2.137 -6.383 3.091 1.00 13.24 H new ATOM 0 HG13 VAL A 25 1.751 -4.757 2.480 1.00 13.24 H new ATOM 0 HG21 VAL A 25 -0.769 -4.393 4.315 1.00 35.43 H new ATOM 0 HG22 VAL A 25 -0.803 -3.976 2.585 1.00 35.43 H new ATOM 0 HG23 VAL A 25 -1.988 -5.128 3.246 1.00 35.43 H new ATOM 374 N ASN A 26 -2.126 -7.933 2.289 1.00 61.03 N ATOM 375 CA ASN A 26 -3.530 -8.421 2.259 1.00 53.22 C ATOM 376 C ASN A 26 -4.215 -8.124 3.612 1.00 11.25 C ATOM 377 O ASN A 26 -3.691 -7.332 4.398 1.00 33.10 O ATOM 378 CB ASN A 26 -3.581 -9.929 1.887 1.00 11.31 C ATOM 379 CG ASN A 26 -3.015 -10.837 2.974 1.00 53.41 C ATOM 380 OD1 ASN A 26 -3.751 -11.347 3.819 1.00 41.05 O ATOM 381 ND2 ASN A 26 -1.710 -11.010 2.984 1.00 51.41 N ATOM 0 H ASN A 26 -1.567 -8.318 3.051 1.00 61.03 H new ATOM 0 HA ASN A 26 -4.083 -7.890 1.484 1.00 53.22 H new ATOM 0 HB2 ASN A 26 -4.615 -10.212 1.688 1.00 11.31 H new ATOM 0 HB3 ASN A 26 -3.024 -10.088 0.964 1.00 11.31 H new ATOM 0 HD21 ASN A 26 -1.277 -11.583 3.709 1.00 51.41 H new ATOM 0 HD22 ASN A 26 -1.132 -10.571 2.267 1.00 51.41 H new ATOM 388 N SER A 27 -5.392 -8.742 3.867 1.00 11.32 N ATOM 389 CA SER A 27 -6.195 -8.516 5.104 1.00 61.22 C ATOM 390 C SER A 27 -5.461 -8.921 6.402 1.00 63.22 C ATOM 391 O SER A 27 -5.833 -8.471 7.495 1.00 61.33 O ATOM 392 CB SER A 27 -7.534 -9.262 5.005 1.00 14.52 C ATOM 393 OG SER A 27 -8.375 -9.014 6.126 1.00 34.44 O ATOM 0 H SER A 27 -5.816 -9.412 3.225 1.00 11.32 H new ATOM 0 HA SER A 27 -6.364 -7.441 5.168 1.00 61.22 H new ATOM 0 HB2 SER A 27 -8.049 -8.960 4.093 1.00 14.52 H new ATOM 0 HB3 SER A 27 -7.346 -10.333 4.925 1.00 14.52 H new ATOM 0 HG SER A 27 -9.215 -9.507 6.020 1.00 34.44 H new ATOM 399 N LYS A 28 -4.445 -9.782 6.292 1.00 1.44 N ATOM 400 CA LYS A 28 -3.563 -10.107 7.431 1.00 72.51 C ATOM 401 C LYS A 28 -2.409 -9.101 7.480 1.00 1.50 C ATOM 402 O LYS A 28 -1.943 -8.726 8.545 1.00 4.55 O ATOM 403 CB LYS A 28 -3.008 -11.547 7.334 1.00 73.03 C ATOM 404 CG LYS A 28 -4.058 -12.634 7.037 1.00 64.30 C ATOM 405 CD LYS A 28 -5.229 -12.653 8.046 1.00 75.12 C ATOM 406 CE LYS A 28 -6.197 -13.811 7.771 1.00 74.14 C ATOM 407 NZ LYS A 28 -7.415 -13.757 8.621 1.00 15.35 N ATOM 0 H LYS A 28 -4.208 -10.270 5.428 1.00 1.44 H new ATOM 0 HA LYS A 28 -4.151 -10.045 8.347 1.00 72.51 H new ATOM 0 HB2 LYS A 28 -2.248 -11.575 6.553 1.00 73.03 H new ATOM 0 HB3 LYS A 28 -2.510 -11.792 8.272 1.00 73.03 H new ATOM 0 HG2 LYS A 28 -4.456 -12.479 6.034 1.00 64.30 H new ATOM 0 HG3 LYS A 28 -3.571 -13.609 7.040 1.00 64.30 H new ATOM 0 HD2 LYS A 28 -4.835 -12.741 9.059 1.00 75.12 H new ATOM 0 HD3 LYS A 28 -5.769 -11.707 7.995 1.00 75.12 H new ATOM 0 HE2 LYS A 28 -6.491 -13.792 6.721 1.00 74.14 H new ATOM 0 HE3 LYS A 28 -5.683 -14.757 7.941 1.00 74.14 H new ATOM 0 HZ1 LYS A 28 -8.033 -14.562 8.394 1.00 15.35 H new ATOM 0 HZ2 LYS A 28 -7.141 -13.803 9.623 1.00 15.35 H new ATOM 0 HZ3 LYS A 28 -7.924 -12.868 8.442 1.00 15.35 H new ATOM 421 N GLY A 29 -1.980 -8.656 6.297 1.00 24.44 N ATOM 422 CA GLY A 29 -0.857 -7.735 6.167 1.00 73.33 C ATOM 423 C GLY A 29 0.429 -8.445 5.785 1.00 70.30 C ATOM 424 O GLY A 29 1.520 -7.954 6.085 1.00 4.43 O ATOM 0 H GLY A 29 -2.401 -8.925 5.408 1.00 24.44 H new ATOM 0 HA2 GLY A 29 -1.092 -6.983 5.414 1.00 73.33 H new ATOM 0 HA3 GLY A 29 -0.712 -7.207 7.110 1.00 73.33 H new ATOM 428 N ASP A 30 0.303 -9.604 5.113 1.00 72.01 N ATOM 429 CA ASP A 30 1.468 -10.336 4.577 1.00 73.22 C ATOM 430 C ASP A 30 1.925 -9.664 3.288 1.00 51.41 C ATOM 431 O ASP A 30 1.081 -9.295 2.460 1.00 13.04 O ATOM 432 CB ASP A 30 1.146 -11.816 4.251 1.00 42.12 C ATOM 433 CG ASP A 30 0.477 -12.567 5.401 1.00 72.02 C ATOM 434 OD1 ASP A 30 1.170 -12.934 6.372 1.00 15.32 O ATOM 435 OD2 ASP A 30 -0.745 -12.797 5.333 1.00 71.23 O ATOM 0 H ASP A 30 -0.593 -10.055 4.928 1.00 72.01 H new ATOM 0 HA ASP A 30 2.241 -10.315 5.346 1.00 73.22 H new ATOM 0 HB2 ASP A 30 0.495 -11.853 3.377 1.00 42.12 H new ATOM 0 HB3 ASP A 30 2.070 -12.329 3.982 1.00 42.12 H new ATOM 440 N ARG A 31 3.243 -9.510 3.143 1.00 53.34 N ATOM 441 CA ARG A 31 3.883 -9.070 1.891 1.00 65.22 C ATOM 442 C ARG A 31 3.490 -10.013 0.721 1.00 63.25 C ATOM 443 O ARG A 31 3.949 -11.162 0.635 1.00 75.35 O ATOM 444 CB ARG A 31 5.446 -8.996 2.045 1.00 51.13 C ATOM 445 CG ARG A 31 6.129 -10.279 2.621 1.00 21.55 C ATOM 446 CD ARG A 31 6.254 -10.280 4.155 1.00 52.43 C ATOM 447 NE ARG A 31 6.692 -11.595 4.673 1.00 12.12 N ATOM 448 CZ ARG A 31 7.919 -11.900 5.124 1.00 42.14 C ATOM 449 NH1 ARG A 31 8.892 -11.000 5.125 1.00 3.22 N ATOM 450 NH2 ARG A 31 8.161 -13.114 5.572 1.00 60.10 N ATOM 0 H ARG A 31 3.907 -9.688 3.897 1.00 53.34 H new ATOM 0 HA ARG A 31 3.524 -8.066 1.664 1.00 65.22 H new ATOM 0 HB2 ARG A 31 5.880 -8.783 1.068 1.00 51.13 H new ATOM 0 HB3 ARG A 31 5.690 -8.154 2.693 1.00 51.13 H new ATOM 0 HG2 ARG A 31 5.557 -11.154 2.312 1.00 21.55 H new ATOM 0 HG3 ARG A 31 7.123 -10.377 2.185 1.00 21.55 H new ATOM 0 HD2 ARG A 31 6.966 -9.514 4.462 1.00 52.43 H new ATOM 0 HD3 ARG A 31 5.293 -10.017 4.598 1.00 52.43 H new ATOM 0 HE ARG A 31 5.996 -12.340 4.689 1.00 12.12 H new ATOM 0 HH11 ARG A 31 8.715 -10.057 4.779 1.00 3.22 H new ATOM 0 HH12 ARG A 31 9.818 -11.250 5.472 1.00 3.22 H new ATOM 0 HH21 ARG A 31 7.419 -13.814 5.574 1.00 60.10 H new ATOM 0 HH22 ARG A 31 9.090 -13.355 5.917 1.00 60.10 H new ATOM 464 N ILE A 32 2.561 -9.548 -0.131 1.00 13.30 N ATOM 465 CA ILE A 32 2.241 -10.222 -1.403 1.00 11.41 C ATOM 466 C ILE A 32 3.044 -9.522 -2.521 1.00 62.34 C ATOM 467 O ILE A 32 4.004 -8.788 -2.212 1.00 32.15 O ATOM 468 CB ILE A 32 0.680 -10.262 -1.692 1.00 34.51 C ATOM 469 CG1 ILE A 32 0.098 -8.861 -2.043 1.00 31.20 C ATOM 470 CG2 ILE A 32 -0.069 -10.871 -0.481 1.00 35.54 C ATOM 471 CD1 ILE A 32 -1.376 -8.861 -2.420 1.00 4.41 C ATOM 0 H ILE A 32 2.015 -8.703 0.039 1.00 13.30 H new ATOM 0 HA ILE A 32 2.533 -11.271 -1.352 1.00 11.41 H new ATOM 0 HB ILE A 32 0.531 -10.893 -2.568 1.00 34.51 H new ATOM 0 HG12 ILE A 32 0.241 -8.199 -1.189 1.00 31.20 H new ATOM 0 HG13 ILE A 32 0.671 -8.442 -2.870 1.00 31.20 H new ATOM 0 HG21 ILE A 32 -1.139 -10.894 -0.689 1.00 35.54 H new ATOM 0 HG22 ILE A 32 0.288 -11.886 -0.305 1.00 35.54 H new ATOM 0 HG23 ILE A 32 0.115 -10.263 0.404 1.00 35.54 H new ATOM 0 HD11 ILE A 32 -1.693 -7.843 -2.648 1.00 4.41 H new ATOM 0 HD12 ILE A 32 -1.528 -9.493 -3.295 1.00 4.41 H new ATOM 0 HD13 ILE A 32 -1.964 -9.247 -1.587 1.00 4.41 H new ATOM 483 N VAL A 33 2.701 -9.787 -3.798 1.00 24.22 N ATOM 484 CA VAL A 33 3.409 -9.208 -4.964 1.00 14.13 C ATOM 485 C VAL A 33 3.537 -7.661 -4.823 1.00 33.11 C ATOM 486 O VAL A 33 2.548 -6.987 -4.521 1.00 34.31 O ATOM 487 CB VAL A 33 2.688 -9.598 -6.310 1.00 52.33 C ATOM 488 CG1 VAL A 33 1.247 -9.018 -6.382 1.00 53.53 C ATOM 489 CG2 VAL A 33 3.549 -9.201 -7.541 1.00 61.31 C ATOM 0 H VAL A 33 1.930 -10.405 -4.052 1.00 24.22 H new ATOM 0 HA VAL A 33 4.415 -9.626 -4.991 1.00 14.13 H new ATOM 0 HB VAL A 33 2.583 -10.683 -6.329 1.00 52.33 H new ATOM 0 HG11 VAL A 33 0.784 -9.309 -7.325 1.00 53.53 H new ATOM 0 HG12 VAL A 33 0.656 -9.407 -5.553 1.00 53.53 H new ATOM 0 HG13 VAL A 33 1.289 -7.931 -6.319 1.00 53.53 H new ATOM 0 HG21 VAL A 33 3.027 -9.482 -8.456 1.00 61.31 H new ATOM 0 HG22 VAL A 33 3.717 -8.124 -7.535 1.00 61.31 H new ATOM 0 HG23 VAL A 33 4.507 -9.718 -7.497 1.00 61.31 H new ATOM 499 N ASN A 34 4.777 -7.133 -4.988 1.00 75.31 N ATOM 500 CA ASN A 34 5.100 -5.703 -4.728 1.00 12.34 C ATOM 501 C ASN A 34 4.176 -4.768 -5.535 1.00 50.43 C ATOM 502 O ASN A 34 3.608 -3.814 -4.974 1.00 3.43 O ATOM 503 CB ASN A 34 6.602 -5.404 -5.039 1.00 0.20 C ATOM 504 CG ASN A 34 7.180 -4.103 -4.404 1.00 53.43 C ATOM 505 OD1 ASN A 34 8.352 -4.063 -4.044 1.00 3.13 O ATOM 506 ND2 ASN A 34 6.408 -3.023 -4.288 1.00 43.13 N ATOM 0 H ASN A 34 5.577 -7.681 -5.303 1.00 75.31 H new ATOM 0 HA ASN A 34 4.929 -5.511 -3.669 1.00 12.34 H new ATOM 0 HB2 ASN A 34 7.200 -6.249 -4.697 1.00 0.20 H new ATOM 0 HB3 ASN A 34 6.725 -5.344 -6.120 1.00 0.20 H new ATOM 0 HD21 ASN A 34 6.791 -2.161 -3.899 1.00 43.13 H new ATOM 0 HD22 ASN A 34 5.434 -3.058 -4.588 1.00 43.13 H new ATOM 513 N GLU A 35 4.028 -5.043 -6.843 1.00 23.33 N ATOM 514 CA GLU A 35 3.111 -4.285 -7.713 1.00 44.21 C ATOM 515 C GLU A 35 2.086 -5.208 -8.371 1.00 44.04 C ATOM 516 O GLU A 35 2.280 -6.423 -8.458 1.00 0.35 O ATOM 517 CB GLU A 35 3.875 -3.484 -8.799 1.00 74.42 C ATOM 518 CG GLU A 35 4.614 -4.323 -9.865 1.00 22.12 C ATOM 519 CD GLU A 35 5.005 -3.480 -11.093 1.00 61.43 C ATOM 520 OE1 GLU A 35 4.149 -3.277 -11.982 1.00 55.24 O ATOM 521 OE2 GLU A 35 6.152 -2.988 -11.157 1.00 60.21 O ATOM 0 H GLU A 35 4.534 -5.788 -7.322 1.00 23.33 H new ATOM 0 HA GLU A 35 2.586 -3.574 -7.074 1.00 44.21 H new ATOM 0 HB2 GLU A 35 3.165 -2.831 -9.307 1.00 74.42 H new ATOM 0 HB3 GLU A 35 4.602 -2.841 -8.304 1.00 74.42 H new ATOM 0 HG2 GLU A 35 5.510 -4.760 -9.425 1.00 22.12 H new ATOM 0 HG3 GLU A 35 3.978 -5.150 -10.181 1.00 22.12 H new ATOM 528 N SER A 36 0.992 -4.601 -8.855 1.00 22.24 N ATOM 529 CA SER A 36 -0.004 -5.277 -9.686 1.00 71.34 C ATOM 530 C SER A 36 0.518 -5.314 -11.132 1.00 60.40 C ATOM 531 O SER A 36 0.000 -4.618 -12.015 1.00 2.25 O ATOM 532 CB SER A 36 -1.365 -4.548 -9.559 1.00 41.24 C ATOM 533 OG SER A 36 -1.226 -3.156 -9.787 1.00 44.02 O ATOM 0 H SER A 36 0.776 -3.620 -8.677 1.00 22.24 H new ATOM 0 HA SER A 36 -0.164 -6.304 -9.358 1.00 71.34 H new ATOM 0 HB2 SER A 36 -2.073 -4.967 -10.274 1.00 41.24 H new ATOM 0 HB3 SER A 36 -1.779 -4.716 -8.565 1.00 41.24 H new ATOM 0 HG SER A 36 -0.767 -3.008 -10.640 1.00 44.02 H new ATOM 539 N ASN A 37 1.598 -6.105 -11.326 1.00 43.42 N ATOM 540 CA ASN A 37 2.355 -6.210 -12.594 1.00 20.11 C ATOM 541 C ASN A 37 1.406 -6.526 -13.760 1.00 11.03 C ATOM 542 O ASN A 37 1.298 -5.765 -14.724 1.00 45.31 O ATOM 543 CB ASN A 37 3.455 -7.303 -12.450 1.00 34.13 C ATOM 544 CG ASN A 37 4.345 -7.469 -13.685 1.00 14.02 C ATOM 545 OD1 ASN A 37 4.594 -6.518 -14.430 1.00 61.44 O ATOM 546 ND2 ASN A 37 4.834 -8.682 -13.909 1.00 13.11 N ATOM 0 H ASN A 37 1.975 -6.701 -10.589 1.00 43.42 H new ATOM 0 HA ASN A 37 2.837 -5.257 -12.810 1.00 20.11 H new ATOM 0 HB2 ASN A 37 4.084 -7.058 -11.594 1.00 34.13 H new ATOM 0 HB3 ASN A 37 2.976 -8.257 -12.231 1.00 34.13 H new ATOM 0 HD21 ASN A 37 5.435 -8.849 -14.716 1.00 13.11 H new ATOM 0 HD22 ASN A 37 4.609 -9.448 -13.274 1.00 13.11 H new ATOM 553 N VAL A 38 0.710 -7.646 -13.613 1.00 21.04 N ATOM 554 CA VAL A 38 -0.426 -8.031 -14.450 1.00 43.41 C ATOM 555 C VAL A 38 -1.570 -8.432 -13.508 1.00 74.43 C ATOM 556 O VAL A 38 -1.304 -8.865 -12.365 1.00 40.21 O ATOM 557 CB VAL A 38 -0.036 -9.194 -15.451 1.00 13.33 C ATOM 558 CG1 VAL A 38 0.527 -10.431 -14.717 1.00 35.22 C ATOM 559 CG2 VAL A 38 -1.214 -9.581 -16.382 1.00 44.21 C ATOM 0 H VAL A 38 0.924 -8.332 -12.889 1.00 21.04 H new ATOM 0 HA VAL A 38 -0.742 -7.199 -15.079 1.00 43.41 H new ATOM 0 HB VAL A 38 0.762 -8.801 -16.081 1.00 13.33 H new ATOM 0 HG11 VAL A 38 0.780 -11.202 -15.445 1.00 35.22 H new ATOM 0 HG12 VAL A 38 1.421 -10.149 -14.161 1.00 35.22 H new ATOM 0 HG13 VAL A 38 -0.223 -10.817 -14.026 1.00 35.22 H new ATOM 0 HG21 VAL A 38 -0.901 -10.382 -17.051 1.00 44.21 H new ATOM 0 HG22 VAL A 38 -2.057 -9.920 -15.780 1.00 44.21 H new ATOM 0 HG23 VAL A 38 -1.513 -8.713 -16.970 1.00 44.21 H new ATOM 569 N TYR A 39 -2.829 -8.255 -13.969 1.00 53.32 N ATOM 570 CA TYR A 39 -4.040 -8.616 -13.191 1.00 0.32 C ATOM 571 C TYR A 39 -3.952 -10.069 -12.677 1.00 50.34 C ATOM 572 O TYR A 39 -4.385 -10.363 -11.580 1.00 24.54 O ATOM 573 CB TYR A 39 -5.333 -8.421 -14.054 1.00 63.42 C ATOM 574 CG TYR A 39 -5.467 -9.394 -15.261 1.00 61.20 C ATOM 575 CD1 TYR A 39 -4.843 -9.126 -16.485 1.00 74.04 C ATOM 576 CD2 TYR A 39 -6.194 -10.595 -15.161 1.00 21.22 C ATOM 577 CE1 TYR A 39 -4.940 -10.002 -17.548 1.00 31.23 C ATOM 578 CE2 TYR A 39 -6.283 -11.471 -16.224 1.00 22.12 C ATOM 579 CZ TYR A 39 -5.655 -11.171 -17.412 1.00 25.32 C ATOM 580 OH TYR A 39 -5.734 -12.048 -18.466 1.00 50.31 O ATOM 0 H TYR A 39 -3.036 -7.860 -14.886 1.00 53.32 H new ATOM 0 HA TYR A 39 -4.095 -7.950 -12.330 1.00 0.32 H new ATOM 0 HB2 TYR A 39 -6.204 -8.542 -13.410 1.00 63.42 H new ATOM 0 HB3 TYR A 39 -5.352 -7.397 -14.427 1.00 63.42 H new ATOM 0 HD1 TYR A 39 -4.274 -8.215 -16.600 1.00 74.04 H new ATOM 0 HD2 TYR A 39 -6.692 -10.836 -14.234 1.00 21.22 H new ATOM 0 HE1 TYR A 39 -4.456 -9.771 -18.485 1.00 31.23 H new ATOM 0 HE2 TYR A 39 -6.843 -12.389 -16.124 1.00 22.12 H new ATOM 0 HH TYR A 39 -6.274 -12.824 -18.206 1.00 50.31 H new ATOM 590 N THR A 40 -3.342 -10.938 -13.501 1.00 23.02 N ATOM 591 CA THR A 40 -3.221 -12.378 -13.238 1.00 72.51 C ATOM 592 C THR A 40 -2.395 -12.655 -11.967 1.00 61.34 C ATOM 593 O THR A 40 -2.876 -13.316 -11.046 1.00 55.43 O ATOM 594 CB THR A 40 -2.573 -13.092 -14.470 1.00 23.10 C ATOM 595 OG1 THR A 40 -3.159 -12.576 -15.678 1.00 33.20 O ATOM 596 CG2 THR A 40 -2.769 -14.619 -14.418 1.00 40.30 C ATOM 0 H THR A 40 -2.913 -10.653 -14.382 1.00 23.02 H new ATOM 0 HA THR A 40 -4.223 -12.775 -13.074 1.00 72.51 H new ATOM 0 HB THR A 40 -1.502 -12.893 -14.449 1.00 23.10 H new ATOM 0 HG1 THR A 40 -4.090 -12.323 -15.508 1.00 33.20 H new ATOM 0 HG21 THR A 40 -2.304 -15.075 -15.292 1.00 40.30 H new ATOM 0 HG22 THR A 40 -2.307 -15.014 -13.513 1.00 40.30 H new ATOM 0 HG23 THR A 40 -3.834 -14.849 -14.412 1.00 40.30 H new ATOM 604 N THR A 41 -1.167 -12.105 -11.925 1.00 72.15 N ATOM 605 CA THR A 41 -0.225 -12.310 -10.798 1.00 3.41 C ATOM 606 C THR A 41 -0.797 -11.749 -9.485 1.00 32.30 C ATOM 607 O THR A 41 -0.727 -12.398 -8.439 1.00 31.13 O ATOM 608 CB THR A 41 1.170 -11.646 -11.090 1.00 75.02 C ATOM 609 OG1 THR A 41 1.676 -12.117 -12.344 1.00 22.54 O ATOM 610 CG2 THR A 41 2.217 -11.944 -9.994 1.00 14.41 C ATOM 0 H THR A 41 -0.797 -11.508 -12.665 1.00 72.15 H new ATOM 0 HA THR A 41 -0.086 -13.386 -10.691 1.00 3.41 H new ATOM 0 HB THR A 41 1.006 -10.569 -11.112 1.00 75.02 H new ATOM 0 HG1 THR A 41 2.544 -11.700 -12.524 1.00 22.54 H new ATOM 0 HG21 THR A 41 3.159 -11.460 -10.250 1.00 14.41 H new ATOM 0 HG22 THR A 41 1.861 -11.562 -9.037 1.00 14.41 H new ATOM 0 HG23 THR A 41 2.370 -13.021 -9.920 1.00 14.41 H new ATOM 618 N PHE A 42 -1.383 -10.548 -9.582 1.00 1.34 N ATOM 619 CA PHE A 42 -1.923 -9.812 -8.430 1.00 31.20 C ATOM 620 C PHE A 42 -3.134 -10.544 -7.824 1.00 31.02 C ATOM 621 O PHE A 42 -3.180 -10.792 -6.620 1.00 13.25 O ATOM 622 CB PHE A 42 -2.301 -8.378 -8.873 1.00 50.42 C ATOM 623 CG PHE A 42 -2.895 -7.510 -7.760 1.00 61.31 C ATOM 624 CD1 PHE A 42 -2.174 -7.264 -6.593 1.00 43.31 C ATOM 625 CD2 PHE A 42 -4.166 -6.944 -7.879 1.00 52.32 C ATOM 626 CE1 PHE A 42 -2.703 -6.491 -5.586 1.00 54.02 C ATOM 627 CE2 PHE A 42 -4.694 -6.166 -6.870 1.00 30.31 C ATOM 628 CZ PHE A 42 -3.959 -5.938 -5.724 1.00 75.44 C ATOM 0 H PHE A 42 -1.497 -10.056 -10.468 1.00 1.34 H new ATOM 0 HA PHE A 42 -1.161 -9.755 -7.653 1.00 31.20 H new ATOM 0 HB2 PHE A 42 -1.412 -7.886 -9.266 1.00 50.42 H new ATOM 0 HB3 PHE A 42 -3.019 -8.440 -9.691 1.00 50.42 H new ATOM 0 HD1 PHE A 42 -1.187 -7.686 -6.478 1.00 43.31 H new ATOM 0 HD2 PHE A 42 -4.744 -7.118 -8.774 1.00 52.32 H new ATOM 0 HE1 PHE A 42 -2.134 -6.317 -4.685 1.00 54.02 H new ATOM 0 HE2 PHE A 42 -5.679 -5.737 -6.976 1.00 30.31 H new ATOM 0 HZ PHE A 42 -4.368 -5.326 -4.934 1.00 75.44 H new ATOM 638 N ARG A 43 -4.097 -10.880 -8.692 1.00 21.20 N ATOM 639 CA ARG A 43 -5.337 -11.591 -8.324 1.00 33.32 C ATOM 640 C ARG A 43 -5.022 -12.942 -7.677 1.00 20.10 C ATOM 641 O ARG A 43 -5.528 -13.237 -6.601 1.00 22.41 O ATOM 642 CB ARG A 43 -6.209 -11.772 -9.588 1.00 45.32 C ATOM 643 CG ARG A 43 -7.516 -12.597 -9.442 1.00 3.44 C ATOM 644 CD ARG A 43 -8.266 -12.651 -10.788 1.00 64.22 C ATOM 645 NE ARG A 43 -9.456 -13.523 -10.799 1.00 2.52 N ATOM 646 CZ ARG A 43 -10.463 -13.426 -11.696 1.00 73.51 C ATOM 647 NH1 ARG A 43 -10.444 -12.484 -12.643 1.00 62.11 N ATOM 648 NH2 ARG A 43 -11.453 -14.311 -11.672 1.00 55.11 N ATOM 0 H ARG A 43 -4.039 -10.664 -9.687 1.00 21.20 H new ATOM 0 HA ARG A 43 -5.886 -11.001 -7.590 1.00 33.32 H new ATOM 0 HB2 ARG A 43 -6.475 -10.782 -9.958 1.00 45.32 H new ATOM 0 HB3 ARG A 43 -5.596 -12.245 -10.355 1.00 45.32 H new ATOM 0 HG2 ARG A 43 -7.281 -13.608 -9.108 1.00 3.44 H new ATOM 0 HG3 ARG A 43 -8.154 -12.149 -8.680 1.00 3.44 H new ATOM 0 HD2 ARG A 43 -8.571 -11.640 -11.059 1.00 64.22 H new ATOM 0 HD3 ARG A 43 -7.576 -12.993 -11.559 1.00 64.22 H new ATOM 0 HE ARG A 43 -9.523 -14.246 -10.083 1.00 2.52 H new ATOM 0 HH11 ARG A 43 -9.664 -11.828 -12.695 1.00 62.11 H new ATOM 0 HH12 ARG A 43 -11.209 -12.420 -13.314 1.00 62.11 H new ATOM 0 HH21 ARG A 43 -11.451 -15.059 -10.979 1.00 55.11 H new ATOM 0 HH22 ARG A 43 -12.215 -14.242 -12.347 1.00 55.11 H new ATOM 662 N ASN A 44 -4.143 -13.726 -8.325 1.00 62.24 N ATOM 663 CA ASN A 44 -3.768 -15.078 -7.856 1.00 73.24 C ATOM 664 C ASN A 44 -2.923 -15.016 -6.574 1.00 73.41 C ATOM 665 O ASN A 44 -2.916 -15.978 -5.807 1.00 55.41 O ATOM 666 CB ASN A 44 -3.033 -15.872 -8.973 1.00 20.33 C ATOM 667 CG ASN A 44 -3.921 -16.169 -10.195 1.00 22.41 C ATOM 668 OD1 ASN A 44 -5.138 -16.302 -10.078 1.00 52.52 O ATOM 669 ND2 ASN A 44 -3.318 -16.292 -11.371 1.00 1.01 N ATOM 0 H ASN A 44 -3.672 -13.445 -9.185 1.00 62.24 H new ATOM 0 HA ASN A 44 -4.689 -15.609 -7.615 1.00 73.24 H new ATOM 0 HB2 ASN A 44 -2.159 -15.306 -9.297 1.00 20.33 H new ATOM 0 HB3 ASN A 44 -2.668 -16.813 -8.560 1.00 20.33 H new ATOM 0 HD21 ASN A 44 -3.866 -16.502 -12.206 1.00 1.01 H new ATOM 0 HD22 ASN A 44 -2.307 -16.177 -11.440 1.00 1.01 H new ATOM 676 N ALA A 45 -2.222 -13.886 -6.346 1.00 72.34 N ATOM 677 CA ALA A 45 -1.514 -13.633 -5.076 1.00 72.21 C ATOM 678 C ALA A 45 -2.530 -13.499 -3.927 1.00 25.10 C ATOM 679 O ALA A 45 -2.348 -14.087 -2.857 1.00 73.11 O ATOM 680 CB ALA A 45 -0.637 -12.374 -5.174 1.00 20.53 C ATOM 0 H ALA A 45 -2.132 -13.133 -7.028 1.00 72.34 H new ATOM 0 HA ALA A 45 -0.858 -14.479 -4.871 1.00 72.21 H new ATOM 0 HB1 ALA A 45 -0.127 -12.211 -4.225 1.00 20.53 H new ATOM 0 HB2 ALA A 45 0.101 -12.506 -5.965 1.00 20.53 H new ATOM 0 HB3 ALA A 45 -1.263 -11.511 -5.402 1.00 20.53 H new ATOM 686 N ILE A 46 -3.611 -12.740 -4.194 1.00 55.44 N ATOM 687 CA ILE A 46 -4.730 -12.538 -3.247 1.00 5.45 C ATOM 688 C ILE A 46 -5.478 -13.872 -2.998 1.00 4.03 C ATOM 689 O ILE A 46 -5.895 -14.167 -1.872 1.00 65.32 O ATOM 690 CB ILE A 46 -5.747 -11.458 -3.789 1.00 64.14 C ATOM 691 CG1 ILE A 46 -5.041 -10.099 -4.085 1.00 32.34 C ATOM 692 CG2 ILE A 46 -6.925 -11.251 -2.809 1.00 31.25 C ATOM 693 CD1 ILE A 46 -5.946 -9.051 -4.718 1.00 41.53 C ATOM 0 H ILE A 46 -3.735 -12.246 -5.078 1.00 55.44 H new ATOM 0 HA ILE A 46 -4.307 -12.180 -2.308 1.00 5.45 H new ATOM 0 HB ILE A 46 -6.146 -11.841 -4.728 1.00 64.14 H new ATOM 0 HG12 ILE A 46 -4.639 -9.701 -3.153 1.00 32.34 H new ATOM 0 HG13 ILE A 46 -4.194 -10.279 -4.747 1.00 32.34 H new ATOM 0 HG21 ILE A 46 -7.606 -10.502 -3.212 1.00 31.25 H new ATOM 0 HG22 ILE A 46 -7.458 -12.192 -2.677 1.00 31.25 H new ATOM 0 HG23 ILE A 46 -6.542 -10.913 -1.846 1.00 31.25 H new ATOM 0 HD11 ILE A 46 -5.378 -8.137 -4.891 1.00 41.53 H new ATOM 0 HD12 ILE A 46 -6.328 -9.426 -5.667 1.00 41.53 H new ATOM 0 HD13 ILE A 46 -6.780 -8.839 -4.049 1.00 41.53 H new ATOM 705 N LEU A 47 -5.631 -14.673 -4.071 1.00 44.45 N ATOM 706 CA LEU A 47 -6.292 -15.996 -4.011 1.00 52.40 C ATOM 707 C LEU A 47 -5.413 -17.030 -3.288 1.00 33.44 C ATOM 708 O LEU A 47 -5.916 -18.029 -2.767 1.00 12.00 O ATOM 709 CB LEU A 47 -6.676 -16.492 -5.430 1.00 34.00 C ATOM 710 CG LEU A 47 -7.624 -15.551 -6.252 1.00 72.10 C ATOM 711 CD1 LEU A 47 -8.006 -16.176 -7.608 1.00 71.34 C ATOM 712 CD2 LEU A 47 -8.875 -15.147 -5.440 1.00 2.22 C ATOM 0 H LEU A 47 -5.301 -14.423 -5.003 1.00 44.45 H new ATOM 0 HA LEU A 47 -7.209 -15.879 -3.434 1.00 52.40 H new ATOM 0 HB2 LEU A 47 -5.760 -16.642 -6.002 1.00 34.00 H new ATOM 0 HB3 LEU A 47 -7.156 -17.466 -5.336 1.00 34.00 H new ATOM 0 HG LEU A 47 -7.068 -14.637 -6.461 1.00 72.10 H new ATOM 0 HD11 LEU A 47 -8.663 -15.496 -8.150 1.00 71.34 H new ATOM 0 HD12 LEU A 47 -7.104 -16.353 -8.194 1.00 71.34 H new ATOM 0 HD13 LEU A 47 -8.521 -17.122 -7.440 1.00 71.34 H new ATOM 0 HD21 LEU A 47 -9.506 -14.495 -6.044 1.00 2.22 H new ATOM 0 HD22 LEU A 47 -9.435 -16.041 -5.165 1.00 2.22 H new ATOM 0 HD23 LEU A 47 -8.568 -14.619 -4.537 1.00 2.22 H new ATOM 724 N LYS A 48 -4.102 -16.764 -3.267 1.00 64.13 N ATOM 725 CA LYS A 48 -3.116 -17.568 -2.526 1.00 13.32 C ATOM 726 C LYS A 48 -3.074 -17.132 -1.035 1.00 64.24 C ATOM 727 O LYS A 48 -2.398 -17.762 -0.216 1.00 65.20 O ATOM 728 CB LYS A 48 -1.729 -17.426 -3.218 1.00 4.34 C ATOM 729 CG LYS A 48 -0.682 -18.494 -2.831 1.00 64.31 C ATOM 730 CD LYS A 48 0.605 -18.424 -3.699 1.00 2.50 C ATOM 731 CE LYS A 48 1.329 -17.065 -3.618 1.00 13.12 C ATOM 732 NZ LYS A 48 1.774 -16.747 -2.236 1.00 44.31 N ATOM 0 H LYS A 48 -3.689 -15.977 -3.768 1.00 64.13 H new ATOM 0 HA LYS A 48 -3.401 -18.620 -2.539 1.00 13.32 H new ATOM 0 HB2 LYS A 48 -1.876 -17.460 -4.298 1.00 4.34 H new ATOM 0 HB3 LYS A 48 -1.323 -16.442 -2.982 1.00 4.34 H new ATOM 0 HG2 LYS A 48 -0.414 -18.369 -1.782 1.00 64.31 H new ATOM 0 HG3 LYS A 48 -1.127 -19.484 -2.930 1.00 64.31 H new ATOM 0 HD2 LYS A 48 1.290 -19.211 -3.383 1.00 2.50 H new ATOM 0 HD3 LYS A 48 0.344 -18.626 -4.738 1.00 2.50 H new ATOM 0 HE2 LYS A 48 2.193 -17.075 -4.283 1.00 13.12 H new ATOM 0 HE3 LYS A 48 0.663 -16.279 -3.973 1.00 13.12 H new ATOM 0 HZ1 LYS A 48 2.285 -15.841 -2.236 1.00 44.31 H new ATOM 0 HZ2 LYS A 48 0.945 -16.677 -1.612 1.00 44.31 H new ATOM 0 HZ3 LYS A 48 2.404 -17.500 -1.892 1.00 44.31 H new ATOM 785 N LYS A 52 -9.827 -12.498 0.704 1.00 74.43 N ATOM 786 CA LYS A 52 -9.751 -12.107 -0.714 1.00 23.22 C ATOM 787 C LYS A 52 -9.875 -10.583 -0.878 1.00 75.43 C ATOM 788 O LYS A 52 -10.846 -10.059 -1.444 1.00 22.41 O ATOM 789 CB LYS A 52 -10.805 -12.900 -1.540 1.00 25.30 C ATOM 790 CG LYS A 52 -10.660 -14.436 -1.424 1.00 51.01 C ATOM 791 CD LYS A 52 -9.230 -14.933 -1.766 1.00 44.13 C ATOM 792 CE LYS A 52 -9.059 -16.449 -1.578 1.00 34.13 C ATOM 793 NZ LYS A 52 -9.141 -16.859 -0.158 1.00 62.51 N ATOM 0 HA LYS A 52 -8.769 -12.369 -1.109 1.00 23.22 H new ATOM 0 HB2 LYS A 52 -11.803 -12.612 -1.210 1.00 25.30 H new ATOM 0 HB3 LYS A 52 -10.721 -12.614 -2.589 1.00 25.30 H new ATOM 0 HG2 LYS A 52 -10.914 -14.745 -0.410 1.00 51.01 H new ATOM 0 HG3 LYS A 52 -11.376 -14.915 -2.092 1.00 51.01 H new ATOM 0 HD2 LYS A 52 -8.998 -14.672 -2.799 1.00 44.13 H new ATOM 0 HD3 LYS A 52 -8.510 -14.411 -1.136 1.00 44.13 H new ATOM 0 HE2 LYS A 52 -9.827 -16.971 -2.148 1.00 34.13 H new ATOM 0 HE3 LYS A 52 -8.096 -16.756 -1.986 1.00 34.13 H new ATOM 0 HZ1 LYS A 52 -8.969 -17.882 -0.081 1.00 62.51 H new ATOM 0 HZ2 LYS A 52 -8.425 -16.345 0.394 1.00 62.51 H new ATOM 0 HZ3 LYS A 52 -10.087 -16.639 0.213 1.00 62.51 H new ATOM 807 N VAL A 53 -8.861 -9.892 -0.331 1.00 4.03 N ATOM 808 CA VAL A 53 -8.672 -8.445 -0.477 1.00 3.25 C ATOM 809 C VAL A 53 -7.199 -8.087 -0.195 1.00 21.33 C ATOM 810 O VAL A 53 -6.599 -8.606 0.760 1.00 51.23 O ATOM 811 CB VAL A 53 -9.651 -7.613 0.448 1.00 61.51 C ATOM 812 CG1 VAL A 53 -9.575 -8.042 1.931 1.00 13.51 C ATOM 813 CG2 VAL A 53 -9.417 -6.089 0.288 1.00 1.55 C ATOM 0 H VAL A 53 -8.138 -10.335 0.235 1.00 4.03 H new ATOM 0 HA VAL A 53 -8.918 -8.174 -1.504 1.00 3.25 H new ATOM 0 HB VAL A 53 -10.664 -7.836 0.112 1.00 61.51 H new ATOM 0 HG11 VAL A 53 -10.266 -7.439 2.520 1.00 13.51 H new ATOM 0 HG12 VAL A 53 -9.845 -9.094 2.020 1.00 13.51 H new ATOM 0 HG13 VAL A 53 -8.560 -7.895 2.301 1.00 13.51 H new ATOM 0 HG21 VAL A 53 -10.104 -5.545 0.936 1.00 1.55 H new ATOM 0 HG22 VAL A 53 -8.391 -5.848 0.564 1.00 1.55 H new ATOM 0 HG23 VAL A 53 -9.591 -5.801 -0.749 1.00 1.55 H new ATOM 823 N ALA A 54 -6.624 -7.222 -1.049 1.00 40.30 N ATOM 824 CA ALA A 54 -5.274 -6.671 -0.881 1.00 64.43 C ATOM 825 C ALA A 54 -5.362 -5.203 -0.444 1.00 0.01 C ATOM 826 O ALA A 54 -6.439 -4.607 -0.460 1.00 34.54 O ATOM 827 CB ALA A 54 -4.483 -6.798 -2.189 1.00 14.30 C ATOM 0 H ALA A 54 -7.095 -6.883 -1.888 1.00 40.30 H new ATOM 0 HA ALA A 54 -4.752 -7.235 -0.109 1.00 64.43 H new ATOM 0 HB1 ALA A 54 -3.483 -6.386 -2.051 1.00 14.30 H new ATOM 0 HB2 ALA A 54 -4.407 -7.849 -2.468 1.00 14.30 H new ATOM 0 HB3 ALA A 54 -4.996 -6.250 -2.979 1.00 14.30 H new ATOM 833 N TYR A 55 -4.220 -4.632 -0.042 1.00 62.10 N ATOM 834 CA TYR A 55 -4.125 -3.263 0.495 1.00 23.41 C ATOM 835 C TYR A 55 -2.777 -2.645 0.089 1.00 11.21 C ATOM 836 O TYR A 55 -1.718 -3.147 0.472 1.00 15.40 O ATOM 837 CB TYR A 55 -4.264 -3.266 2.046 1.00 42.54 C ATOM 838 CG TYR A 55 -5.649 -3.702 2.567 1.00 74.04 C ATOM 839 CD1 TYR A 55 -6.704 -2.794 2.664 1.00 42.24 C ATOM 840 CD2 TYR A 55 -5.900 -5.023 2.954 1.00 3.21 C ATOM 841 CE1 TYR A 55 -7.943 -3.183 3.122 1.00 13.11 C ATOM 842 CE2 TYR A 55 -7.139 -5.409 3.410 1.00 22.53 C ATOM 843 CZ TYR A 55 -8.154 -4.489 3.493 1.00 43.15 C ATOM 844 OH TYR A 55 -9.390 -4.877 3.944 1.00 32.33 O ATOM 0 H TYR A 55 -3.321 -5.113 -0.080 1.00 62.10 H new ATOM 0 HA TYR A 55 -4.939 -2.668 0.081 1.00 23.41 H new ATOM 0 HB2 TYR A 55 -3.508 -3.931 2.464 1.00 42.54 H new ATOM 0 HB3 TYR A 55 -4.049 -2.264 2.419 1.00 42.54 H new ATOM 0 HD1 TYR A 55 -6.546 -1.766 2.374 1.00 42.24 H new ATOM 0 HD2 TYR A 55 -5.106 -5.753 2.894 1.00 3.21 H new ATOM 0 HE1 TYR A 55 -8.746 -2.464 3.189 1.00 13.11 H new ATOM 0 HE2 TYR A 55 -7.313 -6.434 3.702 1.00 22.53 H new ATOM 0 HH TYR A 55 -10.081 -4.541 3.335 1.00 32.33 H new ATOM 854 N LEU A 56 -2.828 -1.565 -0.697 1.00 5.24 N ATOM 855 CA LEU A 56 -1.634 -0.830 -1.141 1.00 32.30 C ATOM 856 C LEU A 56 -1.240 0.205 -0.078 1.00 55.32 C ATOM 857 O LEU A 56 -1.976 1.161 0.164 1.00 33.24 O ATOM 858 CB LEU A 56 -1.918 -0.145 -2.503 1.00 71.50 C ATOM 859 CG LEU A 56 -0.713 0.586 -3.177 1.00 14.44 C ATOM 860 CD1 LEU A 56 0.493 -0.353 -3.368 1.00 30.43 C ATOM 861 CD2 LEU A 56 -1.141 1.233 -4.515 1.00 72.20 C ATOM 0 H LEU A 56 -3.702 -1.172 -1.046 1.00 5.24 H new ATOM 0 HA LEU A 56 -0.803 -1.523 -1.272 1.00 32.30 H new ATOM 0 HB2 LEU A 56 -2.289 -0.901 -3.195 1.00 71.50 H new ATOM 0 HB3 LEU A 56 -2.721 0.579 -2.361 1.00 71.50 H new ATOM 0 HG LEU A 56 -0.393 1.381 -2.504 1.00 14.44 H new ATOM 0 HD11 LEU A 56 1.309 0.194 -3.840 1.00 30.43 H new ATOM 0 HD12 LEU A 56 0.820 -0.727 -2.398 1.00 30.43 H new ATOM 0 HD13 LEU A 56 0.204 -1.191 -4.002 1.00 30.43 H new ATOM 0 HD21 LEU A 56 -0.286 1.736 -4.966 1.00 72.20 H new ATOM 0 HD22 LEU A 56 -1.506 0.461 -5.192 1.00 72.20 H new ATOM 0 HD23 LEU A 56 -1.933 1.959 -4.331 1.00 72.20 H new ATOM 873 N VAL A 57 -0.082 -0.004 0.555 1.00 23.43 N ATOM 874 CA VAL A 57 0.410 0.853 1.647 1.00 53.31 C ATOM 875 C VAL A 57 1.554 1.746 1.125 1.00 3.34 C ATOM 876 O VAL A 57 2.543 1.232 0.581 1.00 62.50 O ATOM 877 CB VAL A 57 0.908 -0.016 2.866 1.00 44.41 C ATOM 878 CG1 VAL A 57 1.382 0.864 4.048 1.00 64.54 C ATOM 879 CG2 VAL A 57 -0.186 -1.016 3.320 1.00 32.14 C ATOM 0 H VAL A 57 0.546 -0.775 0.326 1.00 23.43 H new ATOM 0 HA VAL A 57 -0.410 1.481 1.995 1.00 53.31 H new ATOM 0 HB VAL A 57 1.771 -0.588 2.524 1.00 44.41 H new ATOM 0 HG11 VAL A 57 1.716 0.226 4.866 1.00 64.54 H new ATOM 0 HG12 VAL A 57 2.207 1.498 3.722 1.00 64.54 H new ATOM 0 HG13 VAL A 57 0.557 1.489 4.390 1.00 64.54 H new ATOM 0 HG21 VAL A 57 0.183 -1.602 4.161 1.00 32.14 H new ATOM 0 HG22 VAL A 57 -1.077 -0.467 3.624 1.00 32.14 H new ATOM 0 HG23 VAL A 57 -0.435 -1.683 2.494 1.00 32.14 H new ATOM 889 N MET A 58 1.401 3.075 1.284 1.00 13.01 N ATOM 890 CA MET A 58 2.444 4.065 0.939 1.00 12.32 C ATOM 891 C MET A 58 2.479 5.186 1.990 1.00 23.34 C ATOM 892 O MET A 58 1.623 5.250 2.868 1.00 71.45 O ATOM 893 CB MET A 58 2.214 4.669 -0.483 1.00 34.55 C ATOM 894 CG MET A 58 1.060 5.688 -0.615 1.00 60.13 C ATOM 895 SD MET A 58 -0.570 4.997 -0.298 1.00 12.13 S ATOM 896 CE MET A 58 -0.704 3.815 -1.626 1.00 72.34 C ATOM 0 H MET A 58 0.549 3.495 1.656 1.00 13.01 H new ATOM 0 HA MET A 58 3.404 3.548 0.931 1.00 12.32 H new ATOM 0 HB2 MET A 58 3.137 5.154 -0.802 1.00 34.55 H new ATOM 0 HB3 MET A 58 2.028 3.849 -1.177 1.00 34.55 H new ATOM 0 HG2 MET A 58 1.235 6.511 0.078 1.00 60.13 H new ATOM 0 HG3 MET A 58 1.075 6.109 -1.620 1.00 60.13 H new ATOM 0 HE1 MET A 58 -1.531 4.094 -2.279 1.00 72.34 H new ATOM 0 HE2 MET A 58 0.223 3.805 -2.199 1.00 72.34 H new ATOM 0 HE3 MET A 58 -0.886 2.823 -1.213 1.00 72.34 H new ATOM 906 N ASP A 59 3.498 6.051 1.880 1.00 44.32 N ATOM 907 CA ASP A 59 3.619 7.302 2.663 1.00 10.42 C ATOM 908 C ASP A 59 2.812 8.431 1.977 1.00 12.33 C ATOM 909 O ASP A 59 2.377 8.288 0.822 1.00 0.01 O ATOM 910 CB ASP A 59 5.115 7.696 2.778 1.00 25.45 C ATOM 911 CG ASP A 59 5.800 7.795 1.402 1.00 64.33 C ATOM 912 OD1 ASP A 59 5.734 8.856 0.766 1.00 20.54 O ATOM 913 OD2 ASP A 59 6.383 6.794 0.938 1.00 15.22 O ATOM 0 H ASP A 59 4.276 5.904 1.237 1.00 44.32 H new ATOM 0 HA ASP A 59 3.216 7.148 3.664 1.00 10.42 H new ATOM 0 HB2 ASP A 59 5.198 8.653 3.293 1.00 25.45 H new ATOM 0 HB3 ASP A 59 5.637 6.959 3.389 1.00 25.45 H new ATOM 918 N GLU A 60 2.643 9.572 2.678 1.00 63.34 N ATOM 919 CA GLU A 60 1.850 10.713 2.168 1.00 4.04 C ATOM 920 C GLU A 60 2.517 11.399 0.952 1.00 53.13 C ATOM 921 O GLU A 60 1.818 11.941 0.097 1.00 74.02 O ATOM 922 CB GLU A 60 1.545 11.753 3.285 1.00 44.01 C ATOM 923 CG GLU A 60 0.572 12.866 2.829 1.00 44.41 C ATOM 924 CD GLU A 60 0.134 13.833 3.939 1.00 71.13 C ATOM 925 OE1 GLU A 60 0.885 14.787 4.244 1.00 62.31 O ATOM 926 OE2 GLU A 60 -0.975 13.661 4.494 1.00 23.41 O ATOM 0 H GLU A 60 3.046 9.729 3.602 1.00 63.34 H new ATOM 0 HA GLU A 60 0.903 10.294 1.828 1.00 4.04 H new ATOM 0 HB2 GLU A 60 1.120 11.238 4.147 1.00 44.01 H new ATOM 0 HB3 GLU A 60 2.479 12.208 3.614 1.00 44.01 H new ATOM 0 HG2 GLU A 60 1.046 13.440 2.033 1.00 44.41 H new ATOM 0 HG3 GLU A 60 -0.316 12.400 2.401 1.00 44.41 H new ATOM 933 N ARG A 61 3.857 11.349 0.862 1.00 22.32 N ATOM 934 CA ARG A 61 4.605 11.984 -0.255 1.00 70.43 C ATOM 935 C ARG A 61 4.299 11.281 -1.591 1.00 5.43 C ATOM 936 O ARG A 61 4.260 11.922 -2.650 1.00 22.40 O ATOM 937 CB ARG A 61 6.128 11.984 0.026 1.00 4.22 C ATOM 938 CG ARG A 61 6.535 12.702 1.329 1.00 33.22 C ATOM 939 CD ARG A 61 6.121 14.183 1.343 1.00 22.05 C ATOM 940 NE ARG A 61 6.527 14.869 2.580 1.00 62.31 N ATOM 941 CZ ARG A 61 6.549 16.202 2.757 1.00 63.54 C ATOM 942 NH1 ARG A 61 6.175 17.033 1.782 1.00 53.43 N ATOM 943 NH2 ARG A 61 6.934 16.691 3.920 1.00 60.25 N ATOM 0 H ARG A 61 4.451 10.878 1.545 1.00 22.32 H new ATOM 0 HA ARG A 61 4.275 13.020 -0.332 1.00 70.43 H new ATOM 0 HB2 ARG A 61 6.477 10.952 0.070 1.00 4.22 H new ATOM 0 HB3 ARG A 61 6.640 12.459 -0.811 1.00 4.22 H new ATOM 0 HG2 ARG A 61 6.078 12.193 2.178 1.00 33.22 H new ATOM 0 HG3 ARG A 61 7.615 12.629 1.457 1.00 33.22 H new ATOM 0 HD2 ARG A 61 6.567 14.690 0.487 1.00 22.05 H new ATOM 0 HD3 ARG A 61 5.039 14.256 1.229 1.00 22.05 H new ATOM 0 HE ARG A 61 6.815 14.287 3.366 1.00 62.31 H new ATOM 0 HH11 ARG A 61 5.866 16.660 0.884 1.00 53.43 H new ATOM 0 HH12 ARG A 61 6.198 18.041 1.934 1.00 53.43 H new ATOM 0 HH21 ARG A 61 7.211 16.060 4.672 1.00 60.25 H new ATOM 0 HH22 ARG A 61 6.955 17.700 4.067 1.00 60.25 H new ATOM 957 N THR A 62 4.071 9.961 -1.511 1.00 22.31 N ATOM 958 CA THR A 62 3.620 9.150 -2.648 1.00 2.13 C ATOM 959 C THR A 62 2.143 9.463 -2.978 1.00 70.50 C ATOM 960 O THR A 62 1.738 9.463 -4.149 1.00 44.33 O ATOM 961 CB THR A 62 3.792 7.628 -2.330 1.00 61.31 C ATOM 962 OG1 THR A 62 5.151 7.359 -1.960 1.00 33.15 O ATOM 963 CG2 THR A 62 3.410 6.727 -3.517 1.00 2.24 C ATOM 0 H THR A 62 4.195 9.426 -0.652 1.00 22.31 H new ATOM 0 HA THR A 62 4.231 9.397 -3.516 1.00 2.13 H new ATOM 0 HB THR A 62 3.115 7.399 -1.507 1.00 61.31 H new ATOM 0 HG1 THR A 62 5.371 7.853 -1.143 1.00 33.15 H new ATOM 0 HG21 THR A 62 3.549 5.682 -3.240 1.00 2.24 H new ATOM 0 HG22 THR A 62 2.366 6.897 -3.782 1.00 2.24 H new ATOM 0 HG23 THR A 62 4.044 6.963 -4.372 1.00 2.24 H new ATOM 971 N TRP A 63 1.351 9.744 -1.925 1.00 75.22 N ATOM 972 CA TRP A 63 -0.078 10.094 -2.062 1.00 1.11 C ATOM 973 C TRP A 63 -0.264 11.461 -2.751 1.00 34.01 C ATOM 974 O TRP A 63 -1.261 11.661 -3.434 1.00 32.33 O ATOM 975 CB TRP A 63 -0.783 10.079 -0.682 1.00 5.42 C ATOM 976 CG TRP A 63 -2.227 10.540 -0.703 1.00 51.02 C ATOM 977 CD1 TRP A 63 -2.716 11.744 -0.257 1.00 22.44 C ATOM 978 CD2 TRP A 63 -3.359 9.822 -1.230 1.00 32.10 C ATOM 979 NE1 TRP A 63 -4.076 11.792 -0.433 1.00 71.54 N ATOM 980 CE2 TRP A 63 -4.491 10.628 -1.032 1.00 52.21 C ATOM 981 CE3 TRP A 63 -3.526 8.571 -1.833 1.00 70.13 C ATOM 982 CZ2 TRP A 63 -5.768 10.226 -1.415 1.00 41.25 C ATOM 983 CZ3 TRP A 63 -4.794 8.180 -2.221 1.00 74.53 C ATOM 984 CH2 TRP A 63 -5.902 9.005 -2.009 1.00 21.40 C ATOM 0 H TRP A 63 1.681 9.735 -0.960 1.00 75.22 H new ATOM 0 HA TRP A 63 -0.541 9.338 -2.696 1.00 1.11 H new ATOM 0 HB2 TRP A 63 -0.745 9.066 -0.281 1.00 5.42 H new ATOM 0 HB3 TRP A 63 -0.223 10.715 0.004 1.00 5.42 H new ATOM 0 HD1 TRP A 63 -2.118 12.536 0.169 1.00 22.44 H new ATOM 0 HE1 TRP A 63 -4.681 12.567 -0.163 1.00 71.54 H new ATOM 0 HE3 TRP A 63 -2.678 7.921 -1.993 1.00 70.13 H new ATOM 0 HZ2 TRP A 63 -6.625 10.861 -1.247 1.00 41.25 H new ATOM 0 HZ3 TRP A 63 -4.931 7.220 -2.696 1.00 74.53 H new ATOM 0 HH2 TRP A 63 -6.881 8.671 -2.321 1.00 21.40 H new ATOM 995 N LYS A 64 0.694 12.393 -2.568 1.00 10.10 N ATOM 996 CA LYS A 64 0.658 13.722 -3.240 1.00 23.20 C ATOM 997 C LYS A 64 0.577 13.563 -4.771 1.00 65.43 C ATOM 998 O LYS A 64 0.033 14.418 -5.477 1.00 13.32 O ATOM 999 CB LYS A 64 1.910 14.560 -2.882 1.00 53.50 C ATOM 1000 CG LYS A 64 2.155 14.767 -1.378 1.00 73.12 C ATOM 1001 CD LYS A 64 0.944 15.372 -0.634 1.00 42.05 C ATOM 1002 CE LYS A 64 1.311 15.828 0.785 1.00 55.33 C ATOM 1003 NZ LYS A 64 0.142 16.380 1.523 1.00 13.43 N ATOM 0 H LYS A 64 1.504 12.256 -1.963 1.00 10.10 H new ATOM 0 HA LYS A 64 -0.233 14.240 -2.885 1.00 23.20 H new ATOM 0 HB2 LYS A 64 2.786 14.076 -3.313 1.00 53.50 H new ATOM 0 HB3 LYS A 64 1.821 15.537 -3.357 1.00 53.50 H new ATOM 0 HG2 LYS A 64 2.409 13.809 -0.924 1.00 73.12 H new ATOM 0 HG3 LYS A 64 3.017 15.421 -1.245 1.00 73.12 H new ATOM 0 HD2 LYS A 64 0.558 16.220 -1.199 1.00 42.05 H new ATOM 0 HD3 LYS A 64 0.144 14.633 -0.582 1.00 42.05 H new ATOM 0 HE2 LYS A 64 1.722 14.985 1.340 1.00 55.33 H new ATOM 0 HE3 LYS A 64 2.093 16.585 0.730 1.00 55.33 H new ATOM 0 HZ1 LYS A 64 0.209 16.116 2.527 1.00 13.43 H new ATOM 0 HZ2 LYS A 64 0.135 17.416 1.437 1.00 13.43 H new ATOM 0 HZ3 LYS A 64 -0.736 15.994 1.121 1.00 13.43 H new ATOM 1017 N LYS A 65 1.142 12.444 -5.245 1.00 13.54 N ATOM 1018 CA LYS A 65 1.157 12.075 -6.657 1.00 12.23 C ATOM 1019 C LYS A 65 -0.185 11.435 -7.032 1.00 63.24 C ATOM 1020 O LYS A 65 -0.866 11.916 -7.928 1.00 51.14 O ATOM 1021 CB LYS A 65 2.341 11.100 -6.932 1.00 43.41 C ATOM 1022 CG LYS A 65 3.675 11.501 -6.246 1.00 42.35 C ATOM 1023 CD LYS A 65 4.174 12.916 -6.613 1.00 61.03 C ATOM 1024 CE LYS A 65 4.531 13.056 -8.097 1.00 23.04 C ATOM 1025 NZ LYS A 65 4.962 14.438 -8.430 1.00 52.43 N ATOM 0 H LYS A 65 1.607 11.763 -4.645 1.00 13.54 H new ATOM 0 HA LYS A 65 1.298 12.964 -7.272 1.00 12.23 H new ATOM 0 HB2 LYS A 65 2.059 10.102 -6.596 1.00 43.41 H new ATOM 0 HB3 LYS A 65 2.504 11.040 -8.008 1.00 43.41 H new ATOM 0 HG2 LYS A 65 3.547 11.442 -5.165 1.00 42.35 H new ATOM 0 HG3 LYS A 65 4.442 10.776 -6.516 1.00 42.35 H new ATOM 0 HD2 LYS A 65 3.404 13.645 -6.359 1.00 61.03 H new ATOM 0 HD3 LYS A 65 5.050 13.155 -6.010 1.00 61.03 H new ATOM 0 HE2 LYS A 65 5.328 12.356 -8.347 1.00 23.04 H new ATOM 0 HE3 LYS A 65 3.668 12.787 -8.706 1.00 23.04 H new ATOM 0 HZ1 LYS A 65 5.195 14.495 -9.442 1.00 52.43 H new ATOM 0 HZ2 LYS A 65 4.192 15.103 -8.214 1.00 52.43 H new ATOM 0 HZ3 LYS A 65 5.801 14.685 -7.867 1.00 52.43 H new ATOM 1039 N VAL A 66 -0.563 10.379 -6.286 1.00 61.44 N ATOM 1040 CA VAL A 66 -1.778 9.565 -6.549 1.00 12.33 C ATOM 1041 C VAL A 66 -3.062 10.435 -6.541 1.00 54.41 C ATOM 1042 O VAL A 66 -3.820 10.434 -7.514 1.00 55.34 O ATOM 1043 CB VAL A 66 -1.901 8.392 -5.497 1.00 52.24 C ATOM 1044 CG1 VAL A 66 -3.186 7.550 -5.708 1.00 1.45 C ATOM 1045 CG2 VAL A 66 -0.640 7.492 -5.523 1.00 53.32 C ATOM 0 H VAL A 66 -0.033 10.060 -5.475 1.00 61.44 H new ATOM 0 HA VAL A 66 -1.675 9.134 -7.545 1.00 12.33 H new ATOM 0 HB VAL A 66 -1.977 8.851 -4.512 1.00 52.24 H new ATOM 0 HG11 VAL A 66 -3.227 6.756 -4.962 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -4.062 8.191 -5.605 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -3.173 7.111 -6.705 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -0.749 6.692 -4.790 1.00 53.32 H new ATOM 0 HG22 VAL A 66 -0.522 7.060 -6.517 1.00 53.32 H new ATOM 0 HG23 VAL A 66 0.239 8.090 -5.280 1.00 53.32 H new ATOM 1055 N TYR A 67 -3.251 11.181 -5.437 1.00 24.55 N ATOM 1056 CA TYR A 67 -4.385 12.122 -5.225 1.00 13.11 C ATOM 1057 C TYR A 67 -4.515 13.120 -6.388 1.00 23.21 C ATOM 1058 O TYR A 67 -5.628 13.443 -6.823 1.00 15.21 O ATOM 1059 CB TYR A 67 -4.162 12.893 -3.892 1.00 25.54 C ATOM 1060 CG TYR A 67 -5.341 13.776 -3.414 1.00 21.11 C ATOM 1061 CD1 TYR A 67 -6.513 13.199 -2.924 1.00 22.45 C ATOM 1062 CD2 TYR A 67 -5.271 15.172 -3.419 1.00 32.15 C ATOM 1063 CE1 TYR A 67 -7.558 13.969 -2.463 1.00 3.25 C ATOM 1064 CE2 TYR A 67 -6.324 15.945 -2.963 1.00 21.35 C ATOM 1065 CZ TYR A 67 -7.463 15.335 -2.485 1.00 72.32 C ATOM 1066 OH TYR A 67 -8.506 16.094 -2.014 1.00 24.32 O ATOM 0 H TYR A 67 -2.609 11.151 -4.645 1.00 24.55 H new ATOM 0 HA TYR A 67 -5.309 11.545 -5.178 1.00 13.11 H new ATOM 0 HB2 TYR A 67 -3.936 12.169 -3.110 1.00 25.54 H new ATOM 0 HB3 TYR A 67 -3.282 13.526 -4.004 1.00 25.54 H new ATOM 0 HD1 TYR A 67 -6.603 12.123 -2.906 1.00 22.45 H new ATOM 0 HD2 TYR A 67 -4.378 15.656 -3.786 1.00 32.15 H new ATOM 0 HE1 TYR A 67 -8.452 13.496 -2.084 1.00 3.25 H new ATOM 0 HE2 TYR A 67 -6.253 17.023 -2.982 1.00 21.35 H new ATOM 0 HH TYR A 67 -8.283 17.045 -2.097 1.00 24.32 H new ATOM 1076 N ASP A 68 -3.354 13.599 -6.871 1.00 23.41 N ATOM 1077 CA ASP A 68 -3.278 14.528 -8.007 1.00 2.23 C ATOM 1078 C ASP A 68 -3.825 13.862 -9.277 1.00 63.52 C ATOM 1079 O ASP A 68 -4.709 14.412 -9.927 1.00 63.53 O ATOM 1080 CB ASP A 68 -1.814 15.009 -8.224 1.00 32.11 C ATOM 1081 CG ASP A 68 -1.631 15.867 -9.493 1.00 42.54 C ATOM 1082 OD1 ASP A 68 -1.944 17.075 -9.462 1.00 75.42 O ATOM 1083 OD2 ASP A 68 -1.202 15.321 -10.537 1.00 2.33 O ATOM 0 H ASP A 68 -2.444 13.351 -6.483 1.00 23.41 H new ATOM 0 HA ASP A 68 -3.892 15.401 -7.784 1.00 2.23 H new ATOM 0 HB2 ASP A 68 -1.497 15.586 -7.356 1.00 32.11 H new ATOM 0 HB3 ASP A 68 -1.159 14.140 -8.285 1.00 32.11 H new ATOM 1088 N LEU A 69 -3.306 12.663 -9.580 1.00 43.30 N ATOM 1089 CA LEU A 69 -3.630 11.912 -10.813 1.00 25.15 C ATOM 1090 C LEU A 69 -5.130 11.580 -10.896 1.00 13.32 C ATOM 1091 O LEU A 69 -5.704 11.555 -11.985 1.00 63.01 O ATOM 1092 CB LEU A 69 -2.793 10.608 -10.884 1.00 75.32 C ATOM 1093 CG LEU A 69 -1.239 10.771 -10.816 1.00 12.40 C ATOM 1094 CD1 LEU A 69 -0.523 9.404 -10.912 1.00 71.41 C ATOM 1095 CD2 LEU A 69 -0.725 11.769 -11.879 1.00 75.51 C ATOM 0 H LEU A 69 -2.643 12.179 -8.974 1.00 43.30 H new ATOM 0 HA LEU A 69 -3.379 12.548 -11.662 1.00 25.15 H new ATOM 0 HB2 LEU A 69 -3.104 9.958 -10.066 1.00 75.32 H new ATOM 0 HB3 LEU A 69 -3.042 10.093 -11.812 1.00 75.32 H new ATOM 0 HG LEU A 69 -0.995 11.193 -9.841 1.00 12.40 H new ATOM 0 HD11 LEU A 69 0.555 9.554 -10.862 1.00 71.41 H new ATOM 0 HD12 LEU A 69 -0.840 8.768 -10.085 1.00 71.41 H new ATOM 0 HD13 LEU A 69 -0.779 8.925 -11.857 1.00 71.41 H new ATOM 0 HD21 LEU A 69 0.359 11.857 -11.802 1.00 75.51 H new ATOM 0 HD22 LEU A 69 -0.990 11.410 -12.873 1.00 75.51 H new ATOM 0 HD23 LEU A 69 -1.181 12.745 -11.712 1.00 75.51 H new ATOM 1107 N LEU A 70 -5.738 11.330 -9.727 1.00 15.44 N ATOM 1108 CA LEU A 70 -7.180 11.058 -9.605 1.00 4.45 C ATOM 1109 C LEU A 70 -7.996 12.262 -10.111 1.00 35.14 C ATOM 1110 O LEU A 70 -8.772 12.145 -11.070 1.00 12.11 O ATOM 1111 CB LEU A 70 -7.532 10.712 -8.131 1.00 22.41 C ATOM 1112 CG LEU A 70 -6.878 9.409 -7.569 1.00 3.43 C ATOM 1113 CD1 LEU A 70 -7.275 9.163 -6.093 1.00 73.33 C ATOM 1114 CD2 LEU A 70 -7.221 8.191 -8.463 1.00 23.40 C ATOM 0 H LEU A 70 -5.243 11.310 -8.836 1.00 15.44 H new ATOM 0 HA LEU A 70 -7.437 10.199 -10.225 1.00 4.45 H new ATOM 0 HB2 LEU A 70 -7.234 11.549 -7.499 1.00 22.41 H new ATOM 0 HB3 LEU A 70 -8.615 10.619 -8.047 1.00 22.41 H new ATOM 0 HG LEU A 70 -5.796 9.543 -7.589 1.00 3.43 H new ATOM 0 HD11 LEU A 70 -6.801 8.248 -5.736 1.00 73.33 H new ATOM 0 HD12 LEU A 70 -6.946 10.004 -5.483 1.00 73.33 H new ATOM 0 HD13 LEU A 70 -8.358 9.063 -6.019 1.00 73.33 H new ATOM 0 HD21 LEU A 70 -6.755 7.295 -8.052 1.00 23.40 H new ATOM 0 HD22 LEU A 70 -8.302 8.056 -8.494 1.00 23.40 H new ATOM 0 HD23 LEU A 70 -6.848 8.364 -9.472 1.00 23.40 H new ATOM 1126 N ILE A 71 -7.741 13.428 -9.498 1.00 34.14 N ATOM 1127 CA ILE A 71 -8.442 14.694 -9.821 1.00 35.10 C ATOM 1128 C ILE A 71 -8.098 15.159 -11.258 1.00 24.24 C ATOM 1129 O ILE A 71 -8.911 15.804 -11.934 1.00 32.11 O ATOM 1130 CB ILE A 71 -8.075 15.817 -8.771 1.00 14.43 C ATOM 1131 CG1 ILE A 71 -8.291 15.298 -7.313 1.00 1.50 C ATOM 1132 CG2 ILE A 71 -8.892 17.119 -9.014 1.00 72.23 C ATOM 1133 CD1 ILE A 71 -7.887 16.268 -6.221 1.00 24.41 C ATOM 0 H ILE A 71 -7.042 13.527 -8.762 1.00 34.14 H new ATOM 0 HA ILE A 71 -9.515 14.512 -9.768 1.00 35.10 H new ATOM 0 HB ILE A 71 -7.021 16.060 -8.904 1.00 14.43 H new ATOM 0 HG12 ILE A 71 -9.344 15.048 -7.185 1.00 1.50 H new ATOM 0 HG13 ILE A 71 -7.726 14.374 -7.185 1.00 1.50 H new ATOM 0 HG21 ILE A 71 -8.612 17.868 -8.273 1.00 72.23 H new ATOM 0 HG22 ILE A 71 -8.680 17.500 -10.013 1.00 72.23 H new ATOM 0 HG23 ILE A 71 -9.957 16.902 -8.927 1.00 72.23 H new ATOM 0 HD11 ILE A 71 -8.075 15.817 -5.246 1.00 24.41 H new ATOM 0 HD12 ILE A 71 -6.826 16.501 -6.315 1.00 24.41 H new ATOM 0 HD13 ILE A 71 -8.469 17.185 -6.315 1.00 24.41 H new ATOM 1145 N LEU A 72 -6.898 14.776 -11.722 1.00 4.33 N ATOM 1146 CA LEU A 72 -6.364 15.162 -13.035 1.00 2.24 C ATOM 1147 C LEU A 72 -7.088 14.397 -14.158 1.00 42.13 C ATOM 1148 O LEU A 72 -7.399 14.979 -15.201 1.00 41.31 O ATOM 1149 CB LEU A 72 -4.816 14.931 -13.055 1.00 44.12 C ATOM 1150 CG LEU A 72 -3.980 15.550 -14.237 1.00 34.12 C ATOM 1151 CD1 LEU A 72 -3.995 14.665 -15.512 1.00 25.31 C ATOM 1152 CD2 LEU A 72 -4.430 17.005 -14.547 1.00 1.21 C ATOM 0 H LEU A 72 -6.264 14.182 -11.188 1.00 4.33 H new ATOM 0 HA LEU A 72 -6.545 16.222 -13.212 1.00 2.24 H new ATOM 0 HB2 LEU A 72 -4.410 15.322 -12.122 1.00 44.12 H new ATOM 0 HB3 LEU A 72 -4.641 13.855 -13.053 1.00 44.12 H new ATOM 0 HG LEU A 72 -2.944 15.584 -13.900 1.00 34.12 H new ATOM 0 HD11 LEU A 72 -3.403 15.142 -16.293 1.00 25.31 H new ATOM 0 HD12 LEU A 72 -3.572 13.687 -15.281 1.00 25.31 H new ATOM 0 HD13 LEU A 72 -5.021 14.543 -15.858 1.00 25.31 H new ATOM 0 HD21 LEU A 72 -3.833 17.403 -15.368 1.00 1.21 H new ATOM 0 HD22 LEU A 72 -5.483 17.008 -14.829 1.00 1.21 H new ATOM 0 HD23 LEU A 72 -4.290 17.626 -13.662 1.00 1.21 H new ATOM 1164 N HIS A 73 -7.357 13.095 -13.950 1.00 31.03 N ATOM 1165 CA HIS A 73 -8.012 12.259 -14.976 1.00 11.12 C ATOM 1166 C HIS A 73 -9.539 12.458 -14.940 1.00 0.21 C ATOM 1167 O HIS A 73 -10.099 13.062 -15.869 1.00 0.13 O ATOM 1168 CB HIS A 73 -7.652 10.760 -14.777 1.00 33.33 C ATOM 1169 CG HIS A 73 -6.239 10.392 -15.170 1.00 73.34 C ATOM 1170 ND1 HIS A 73 -5.929 9.275 -15.921 1.00 74.32 N ATOM 1171 CD2 HIS A 73 -5.056 10.991 -14.910 1.00 54.21 C ATOM 1172 CE1 HIS A 73 -4.627 9.211 -16.097 1.00 62.31 C ATOM 1173 NE2 HIS A 73 -4.074 10.241 -15.497 1.00 30.50 N ATOM 0 H HIS A 73 -7.133 12.600 -13.087 1.00 31.03 H new ATOM 0 HA HIS A 73 -7.646 12.570 -15.955 1.00 11.12 H new ATOM 0 HB2 HIS A 73 -7.803 10.500 -13.729 1.00 33.33 H new ATOM 0 HB3 HIS A 73 -8.346 10.153 -15.359 1.00 33.33 H new ATOM 0 HD2 HIS A 73 -4.912 11.898 -14.342 1.00 54.21 H new ATOM 0 HE1 HIS A 73 -4.101 8.442 -16.643 1.00 62.31 H new ATOM 0 HE2 HIS A 73 -3.075 10.448 -15.473 1.00 30.50 H new ATOM 1182 N ASP A 74 -10.179 12.023 -13.826 1.00 23.50 N ATOM 1183 CA ASP A 74 -11.653 12.054 -13.638 1.00 1.12 C ATOM 1184 C ASP A 74 -12.030 11.378 -12.304 1.00 2.52 C ATOM 1185 O ASP A 74 -12.597 10.287 -12.276 1.00 74.51 O ATOM 1186 CB ASP A 74 -12.443 11.417 -14.846 1.00 25.13 C ATOM 1187 CG ASP A 74 -12.108 9.934 -15.160 1.00 2.34 C ATOM 1188 OD1 ASP A 74 -11.014 9.658 -15.703 1.00 12.21 O ATOM 1189 OD2 ASP A 74 -12.954 9.041 -14.915 1.00 33.40 O ATOM 0 H ASP A 74 -9.682 11.636 -13.024 1.00 23.50 H new ATOM 0 HA ASP A 74 -11.952 13.102 -13.605 1.00 1.12 H new ATOM 0 HB2 ASP A 74 -13.510 11.494 -14.639 1.00 25.13 H new ATOM 0 HB3 ASP A 74 -12.248 12.012 -15.738 1.00 25.13 H new ATOM 1194 N PHE A 75 -11.664 12.031 -11.193 1.00 1.31 N ATOM 1195 CA PHE A 75 -11.985 11.549 -9.841 1.00 4.11 C ATOM 1196 C PHE A 75 -11.770 12.711 -8.860 1.00 64.43 C ATOM 1197 O PHE A 75 -10.713 12.832 -8.229 1.00 3.32 O ATOM 1198 CB PHE A 75 -11.120 10.290 -9.496 1.00 74.13 C ATOM 1199 CG PHE A 75 -11.669 9.399 -8.386 1.00 14.12 C ATOM 1200 CD1 PHE A 75 -12.911 8.790 -8.519 1.00 11.22 C ATOM 1201 CD2 PHE A 75 -10.941 9.146 -7.239 1.00 74.04 C ATOM 1202 CE1 PHE A 75 -13.409 7.960 -7.539 1.00 74.33 C ATOM 1203 CE2 PHE A 75 -11.430 8.319 -6.264 1.00 30.33 C ATOM 1204 CZ PHE A 75 -12.664 7.723 -6.407 1.00 62.33 C ATOM 0 H PHE A 75 -11.139 12.905 -11.205 1.00 1.31 H new ATOM 0 HA PHE A 75 -13.025 11.229 -9.772 1.00 4.11 H new ATOM 0 HB2 PHE A 75 -11.009 9.689 -10.399 1.00 74.13 H new ATOM 0 HB3 PHE A 75 -10.122 10.624 -9.210 1.00 74.13 H new ATOM 0 HD1 PHE A 75 -13.497 8.971 -9.408 1.00 11.22 H new ATOM 0 HD2 PHE A 75 -9.973 9.607 -7.110 1.00 74.04 H new ATOM 0 HE1 PHE A 75 -14.378 7.498 -7.658 1.00 74.33 H new ATOM 0 HE2 PHE A 75 -10.844 8.132 -5.376 1.00 30.33 H new ATOM 0 HZ PHE A 75 -13.045 7.072 -5.634 1.00 62.33 H new ATOM 1214 N THR A 76 -12.780 13.588 -8.807 1.00 41.13 N ATOM 1215 CA THR A 76 -12.743 14.883 -8.097 1.00 22.04 C ATOM 1216 C THR A 76 -12.561 14.688 -6.555 1.00 12.10 C ATOM 1217 O THR A 76 -12.917 13.617 -6.039 1.00 44.30 O ATOM 1218 CB THR A 76 -14.063 15.679 -8.442 1.00 23.21 C ATOM 1219 OG1 THR A 76 -13.863 17.080 -8.301 1.00 54.13 O ATOM 1220 CG2 THR A 76 -15.275 15.261 -7.593 1.00 21.31 C ATOM 0 H THR A 76 -13.673 13.416 -9.268 1.00 41.13 H new ATOM 0 HA THR A 76 -11.880 15.460 -8.429 1.00 22.04 H new ATOM 0 HB THR A 76 -14.287 15.429 -9.479 1.00 23.21 H new ATOM 0 HG1 THR A 76 -13.151 17.371 -8.908 1.00 54.13 H new ATOM 0 HG21 THR A 76 -16.145 15.850 -7.885 1.00 21.31 H new ATOM 0 HG22 THR A 76 -15.483 14.203 -7.752 1.00 21.31 H new ATOM 0 HG23 THR A 76 -15.058 15.434 -6.539 1.00 21.31 H new ATOM 1228 N PRO A 77 -12.002 15.710 -5.788 1.00 34.35 N ATOM 1229 CA PRO A 77 -11.745 15.602 -4.320 1.00 14.14 C ATOM 1230 C PRO A 77 -12.973 15.170 -3.513 1.00 52.21 C ATOM 1231 O PRO A 77 -12.825 14.529 -2.483 1.00 24.24 O ATOM 1232 CB PRO A 77 -11.276 17.029 -3.912 1.00 41.20 C ATOM 1233 CG PRO A 77 -11.650 17.912 -5.063 1.00 5.44 C ATOM 1234 CD PRO A 77 -11.532 17.034 -6.279 1.00 51.43 C ATOM 0 HA PRO A 77 -11.008 14.827 -4.108 1.00 14.14 H new ATOM 0 HB2 PRO A 77 -11.762 17.355 -2.992 1.00 41.20 H new ATOM 0 HB3 PRO A 77 -10.201 17.053 -3.731 1.00 41.20 H new ATOM 0 HG2 PRO A 77 -12.663 18.298 -4.952 1.00 5.44 H new ATOM 0 HG3 PRO A 77 -10.986 18.774 -5.132 1.00 5.44 H new ATOM 0 HD2 PRO A 77 -12.147 17.400 -7.101 1.00 51.43 H new ATOM 0 HD3 PRO A 77 -10.506 16.987 -6.644 1.00 51.43 H new ATOM 1242 N GLU A 78 -14.174 15.519 -4.014 1.00 21.32 N ATOM 1243 CA GLU A 78 -15.459 15.180 -3.371 1.00 1.21 C ATOM 1244 C GLU A 78 -15.643 13.655 -3.291 1.00 63.00 C ATOM 1245 O GLU A 78 -16.068 13.124 -2.257 1.00 23.41 O ATOM 1246 CB GLU A 78 -16.632 15.823 -4.152 1.00 23.45 C ATOM 1247 CG GLU A 78 -16.539 17.356 -4.266 1.00 61.51 C ATOM 1248 CD GLU A 78 -17.648 17.973 -5.135 1.00 53.34 C ATOM 1249 OE1 GLU A 78 -17.504 17.970 -6.376 1.00 1.54 O ATOM 1250 OE2 GLU A 78 -18.661 18.475 -4.586 1.00 62.12 O ATOM 0 H GLU A 78 -14.281 16.047 -4.880 1.00 21.32 H new ATOM 0 HA GLU A 78 -15.452 15.577 -2.356 1.00 1.21 H new ATOM 0 HB2 GLU A 78 -16.666 15.395 -5.154 1.00 23.45 H new ATOM 0 HB3 GLU A 78 -17.569 15.561 -3.661 1.00 23.45 H new ATOM 0 HG2 GLU A 78 -16.586 17.791 -3.267 1.00 61.51 H new ATOM 0 HG3 GLU A 78 -15.569 17.623 -4.685 1.00 61.51 H new ATOM 1257 N GLU A 79 -15.303 12.969 -4.391 1.00 20.02 N ATOM 1258 CA GLU A 79 -15.415 11.503 -4.492 1.00 72.32 C ATOM 1259 C GLU A 79 -14.386 10.828 -3.577 1.00 53.04 C ATOM 1260 O GLU A 79 -14.739 9.957 -2.784 1.00 11.24 O ATOM 1261 CB GLU A 79 -15.227 11.042 -5.965 1.00 73.41 C ATOM 1262 CG GLU A 79 -16.174 11.723 -6.970 1.00 55.01 C ATOM 1263 CD GLU A 79 -17.670 11.507 -6.666 1.00 42.34 C ATOM 1264 OE1 GLU A 79 -18.229 10.466 -7.080 1.00 33.35 O ATOM 1265 OE2 GLU A 79 -18.294 12.378 -6.015 1.00 42.31 O ATOM 0 H GLU A 79 -14.943 13.412 -5.236 1.00 20.02 H new ATOM 0 HA GLU A 79 -16.412 11.206 -4.168 1.00 72.32 H new ATOM 0 HB2 GLU A 79 -14.197 11.237 -6.265 1.00 73.41 H new ATOM 0 HB3 GLU A 79 -15.376 9.963 -6.017 1.00 73.41 H new ATOM 0 HG2 GLU A 79 -15.967 12.793 -6.981 1.00 55.01 H new ATOM 0 HG3 GLU A 79 -15.959 11.346 -7.970 1.00 55.01 H new ATOM 1272 N ILE A 80 -13.126 11.286 -3.691 1.00 0.40 N ATOM 1273 CA ILE A 80 -11.982 10.736 -2.934 1.00 11.22 C ATOM 1274 C ILE A 80 -12.234 10.798 -1.407 1.00 23.22 C ATOM 1275 O ILE A 80 -12.120 9.785 -0.708 1.00 1.15 O ATOM 1276 CB ILE A 80 -10.640 11.501 -3.285 1.00 3.32 C ATOM 1277 CG1 ILE A 80 -10.461 11.640 -4.832 1.00 12.55 C ATOM 1278 CG2 ILE A 80 -9.415 10.780 -2.659 1.00 72.21 C ATOM 1279 CD1 ILE A 80 -9.257 12.454 -5.268 1.00 24.22 C ATOM 0 H ILE A 80 -12.869 12.052 -4.314 1.00 0.40 H new ATOM 0 HA ILE A 80 -11.877 9.692 -3.228 1.00 11.22 H new ATOM 0 HB ILE A 80 -10.705 12.502 -2.859 1.00 3.32 H new ATOM 0 HG12 ILE A 80 -10.382 10.643 -5.264 1.00 12.55 H new ATOM 0 HG13 ILE A 80 -11.359 12.097 -5.247 1.00 12.55 H new ATOM 0 HG21 ILE A 80 -8.504 11.323 -2.913 1.00 72.21 H new ATOM 0 HG22 ILE A 80 -9.527 10.747 -1.575 1.00 72.21 H new ATOM 0 HG23 ILE A 80 -9.352 9.764 -3.049 1.00 72.21 H new ATOM 0 HD11 ILE A 80 -9.219 12.493 -6.357 1.00 24.22 H new ATOM 0 HD12 ILE A 80 -9.339 13.466 -4.872 1.00 24.22 H new ATOM 0 HD13 ILE A 80 -8.347 11.989 -4.889 1.00 24.22 H new ATOM 1291 N LYS A 81 -12.632 11.994 -0.924 1.00 42.32 N ATOM 1292 CA LYS A 81 -12.821 12.272 0.523 1.00 43.24 C ATOM 1293 C LYS A 81 -14.012 11.482 1.107 1.00 74.04 C ATOM 1294 O LYS A 81 -14.054 11.216 2.316 1.00 62.23 O ATOM 1295 CB LYS A 81 -12.983 13.800 0.771 1.00 14.14 C ATOM 1296 CG LYS A 81 -14.321 14.420 0.304 1.00 11.34 C ATOM 1297 CD LYS A 81 -14.321 15.976 0.261 1.00 11.21 C ATOM 1298 CE LYS A 81 -14.278 16.661 1.651 1.00 54.41 C ATOM 1299 NZ LYS A 81 -12.983 16.488 2.367 1.00 31.44 N ATOM 0 H LYS A 81 -12.832 12.796 -1.522 1.00 42.32 H new ATOM 0 HA LYS A 81 -11.926 11.934 1.045 1.00 43.24 H new ATOM 0 HB2 LYS A 81 -12.869 13.990 1.838 1.00 14.14 H new ATOM 0 HB3 LYS A 81 -12.168 14.319 0.267 1.00 14.14 H new ATOM 0 HG2 LYS A 81 -14.558 14.040 -0.690 1.00 11.34 H new ATOM 0 HG3 LYS A 81 -15.116 14.086 0.971 1.00 11.34 H new ATOM 0 HD2 LYS A 81 -13.462 16.310 -0.321 1.00 11.21 H new ATOM 0 HD3 LYS A 81 -15.213 16.312 -0.267 1.00 11.21 H new ATOM 0 HE2 LYS A 81 -14.474 17.726 1.527 1.00 54.41 H new ATOM 0 HE3 LYS A 81 -15.081 16.259 2.269 1.00 54.41 H new ATOM 0 HZ1 LYS A 81 -12.745 17.366 2.872 1.00 31.44 H new ATOM 0 HZ2 LYS A 81 -13.065 15.708 3.050 1.00 31.44 H new ATOM 0 HZ3 LYS A 81 -12.233 16.270 1.680 1.00 31.44 H new ATOM 1313 N SER A 82 -14.966 11.104 0.234 1.00 74.23 N ATOM 1314 CA SER A 82 -16.133 10.294 0.617 1.00 32.21 C ATOM 1315 C SER A 82 -15.700 8.880 1.060 1.00 64.22 C ATOM 1316 O SER A 82 -16.270 8.316 2.000 1.00 53.45 O ATOM 1317 CB SER A 82 -17.137 10.224 -0.562 1.00 42.01 C ATOM 1318 OG SER A 82 -18.333 9.558 -0.195 1.00 11.31 O ATOM 0 H SER A 82 -14.947 11.353 -0.755 1.00 74.23 H new ATOM 0 HA SER A 82 -16.626 10.769 1.466 1.00 32.21 H new ATOM 0 HB2 SER A 82 -17.372 11.233 -0.900 1.00 42.01 H new ATOM 0 HB3 SER A 82 -16.675 9.706 -1.402 1.00 42.01 H new ATOM 0 HG SER A 82 -18.943 9.534 -0.962 1.00 11.31 H new ATOM 1324 N PHE A 83 -14.661 8.333 0.396 1.00 43.15 N ATOM 1325 CA PHE A 83 -14.149 6.969 0.684 1.00 71.15 C ATOM 1326 C PHE A 83 -13.165 6.949 1.872 1.00 52.44 C ATOM 1327 O PHE A 83 -12.681 5.879 2.253 1.00 74.42 O ATOM 1328 CB PHE A 83 -13.488 6.358 -0.572 1.00 1.05 C ATOM 1329 CG PHE A 83 -14.436 6.201 -1.767 1.00 62.43 C ATOM 1330 CD1 PHE A 83 -15.493 5.287 -1.725 1.00 52.51 C ATOM 1331 CD2 PHE A 83 -14.282 6.967 -2.919 1.00 60.23 C ATOM 1332 CE1 PHE A 83 -16.357 5.148 -2.799 1.00 70.43 C ATOM 1333 CE2 PHE A 83 -15.146 6.830 -3.989 1.00 22.05 C ATOM 1334 CZ PHE A 83 -16.184 5.921 -3.931 1.00 12.33 C ATOM 0 H PHE A 83 -14.155 8.814 -0.348 1.00 43.15 H new ATOM 0 HA PHE A 83 -15.008 6.361 0.966 1.00 71.15 H new ATOM 0 HB2 PHE A 83 -12.648 6.986 -0.869 1.00 1.05 H new ATOM 0 HB3 PHE A 83 -13.080 5.380 -0.315 1.00 1.05 H new ATOM 0 HD1 PHE A 83 -15.638 4.681 -0.843 1.00 52.51 H new ATOM 0 HD2 PHE A 83 -13.473 7.681 -2.978 1.00 60.23 H new ATOM 0 HE1 PHE A 83 -17.167 4.435 -2.751 1.00 70.43 H new ATOM 0 HE2 PHE A 83 -15.009 7.435 -4.873 1.00 22.05 H new ATOM 0 HZ PHE A 83 -16.858 5.815 -4.768 1.00 12.33 H new ATOM 1344 N PHE A 84 -12.841 8.135 2.421 1.00 71.44 N ATOM 1345 CA PHE A 84 -12.148 8.249 3.725 1.00 54.21 C ATOM 1346 C PHE A 84 -13.148 8.046 4.864 1.00 62.30 C ATOM 1347 O PHE A 84 -12.822 7.443 5.895 1.00 23.45 O ATOM 1348 CB PHE A 84 -11.423 9.617 3.875 1.00 63.31 C ATOM 1349 CG PHE A 84 -10.112 9.720 3.082 1.00 42.23 C ATOM 1350 CD1 PHE A 84 -10.091 10.192 1.777 1.00 45.02 C ATOM 1351 CD2 PHE A 84 -8.896 9.352 3.661 1.00 73.21 C ATOM 1352 CE1 PHE A 84 -8.907 10.293 1.072 1.00 62.52 C ATOM 1353 CE2 PHE A 84 -7.714 9.450 2.955 1.00 23.51 C ATOM 1354 CZ PHE A 84 -7.719 9.925 1.661 1.00 71.34 C ATOM 0 H PHE A 84 -13.048 9.032 1.982 1.00 71.44 H new ATOM 0 HA PHE A 84 -11.386 7.471 3.771 1.00 54.21 H new ATOM 0 HB2 PHE A 84 -12.096 10.411 3.550 1.00 63.31 H new ATOM 0 HB3 PHE A 84 -11.212 9.791 4.930 1.00 63.31 H new ATOM 0 HD1 PHE A 84 -11.017 10.486 1.304 1.00 45.02 H new ATOM 0 HD2 PHE A 84 -8.880 8.985 4.677 1.00 73.21 H new ATOM 0 HE1 PHE A 84 -8.914 10.661 0.057 1.00 62.52 H new ATOM 0 HE2 PHE A 84 -6.784 9.154 3.417 1.00 23.51 H new ATOM 0 HZ PHE A 84 -6.793 10.008 1.111 1.00 71.34 H new ATOM 1364 N GLU A 85 -14.370 8.556 4.660 1.00 65.23 N ATOM 1365 CA GLU A 85 -15.462 8.433 5.629 1.00 1.41 C ATOM 1366 C GLU A 85 -16.155 7.071 5.458 1.00 73.55 C ATOM 1367 O GLU A 85 -16.929 6.876 4.504 1.00 73.42 O ATOM 1368 CB GLU A 85 -16.474 9.596 5.450 1.00 3.31 C ATOM 1369 CG GLU A 85 -15.855 11.002 5.575 1.00 52.14 C ATOM 1370 CD GLU A 85 -16.900 12.126 5.450 1.00 44.31 C ATOM 1371 OE1 GLU A 85 -17.385 12.366 4.327 1.00 20.23 O ATOM 1372 OE2 GLU A 85 -17.234 12.780 6.465 1.00 31.52 O ATOM 0 H GLU A 85 -14.628 9.066 3.815 1.00 65.23 H new ATOM 0 HA GLU A 85 -15.056 8.493 6.639 1.00 1.41 H new ATOM 0 HB2 GLU A 85 -16.944 9.505 4.471 1.00 3.31 H new ATOM 0 HB3 GLU A 85 -17.264 9.492 6.194 1.00 3.31 H new ATOM 0 HG2 GLU A 85 -15.349 11.087 6.537 1.00 52.14 H new ATOM 0 HG3 GLU A 85 -15.096 11.130 4.803 1.00 52.14 H new ATOM 1444 N ARG A 90 -17.127 -0.098 3.563 1.00 22.34 N ATOM 1445 CA ARG A 90 -15.656 -0.148 3.584 1.00 24.43 C ATOM 1446 C ARG A 90 -14.970 1.146 3.083 1.00 20.30 C ATOM 1447 O ARG A 90 -15.346 1.672 2.024 1.00 13.03 O ATOM 1448 CB ARG A 90 -15.187 -1.361 2.734 1.00 52.14 C ATOM 1449 CG ARG A 90 -15.375 -2.727 3.421 1.00 72.32 C ATOM 1450 CD ARG A 90 -14.464 -2.871 4.647 1.00 53.42 C ATOM 1451 NE ARG A 90 -13.056 -2.642 4.279 1.00 73.21 N ATOM 1452 CZ ARG A 90 -12.008 -2.674 5.105 1.00 12.32 C ATOM 1453 NH1 ARG A 90 -12.152 -2.928 6.398 1.00 42.13 N ATOM 1454 NH2 ARG A 90 -10.800 -2.451 4.605 1.00 44.22 N ATOM 0 HA ARG A 90 -15.356 -0.253 4.627 1.00 24.43 H new ATOM 0 HB2 ARG A 90 -15.735 -1.363 1.792 1.00 52.14 H new ATOM 0 HB3 ARG A 90 -14.133 -1.232 2.489 1.00 52.14 H new ATOM 0 HG2 ARG A 90 -16.416 -2.843 3.724 1.00 72.32 H new ATOM 0 HG3 ARG A 90 -15.159 -3.525 2.711 1.00 72.32 H new ATOM 0 HD2 ARG A 90 -14.765 -2.159 5.415 1.00 53.42 H new ATOM 0 HD3 ARG A 90 -14.576 -3.867 5.075 1.00 53.42 H new ATOM 0 HE ARG A 90 -12.863 -2.439 3.298 1.00 73.21 H new ATOM 0 HH11 ARG A 90 -13.080 -3.105 6.783 1.00 42.13 H new ATOM 0 HH12 ARG A 90 -11.335 -2.947 7.008 1.00 42.13 H new ATOM 0 HH21 ARG A 90 -10.687 -2.260 3.609 1.00 44.22 H new ATOM 0 HH22 ARG A 90 -9.984 -2.470 5.216 1.00 44.22 H new ATOM 1468 N PRO A 91 -13.934 1.656 3.833 1.00 12.13 N ATOM 1469 CA PRO A 91 -13.187 2.841 3.434 1.00 2.00 C ATOM 1470 C PRO A 91 -12.088 2.457 2.413 1.00 63.34 C ATOM 1471 O PRO A 91 -11.084 1.818 2.768 1.00 51.42 O ATOM 1472 CB PRO A 91 -12.621 3.385 4.776 1.00 71.03 C ATOM 1473 CG PRO A 91 -12.663 2.239 5.766 1.00 43.43 C ATOM 1474 CD PRO A 91 -13.379 1.079 5.090 1.00 73.25 C ATOM 0 HA PRO A 91 -13.784 3.598 2.926 1.00 2.00 H new ATOM 0 HB2 PRO A 91 -11.601 3.747 4.647 1.00 71.03 H new ATOM 0 HB3 PRO A 91 -13.215 4.226 5.133 1.00 71.03 H new ATOM 0 HG2 PRO A 91 -11.654 1.949 6.060 1.00 43.43 H new ATOM 0 HG3 PRO A 91 -13.187 2.536 6.675 1.00 43.43 H new ATOM 0 HD2 PRO A 91 -12.693 0.259 4.880 1.00 73.25 H new ATOM 0 HD3 PRO A 91 -14.170 0.678 5.724 1.00 73.25 H new ATOM 1482 N VAL A 92 -12.328 2.800 1.135 1.00 14.54 N ATOM 1483 CA VAL A 92 -11.402 2.488 0.027 1.00 65.33 C ATOM 1484 C VAL A 92 -10.067 3.243 0.213 1.00 33.14 C ATOM 1485 O VAL A 92 -8.997 2.719 -0.102 1.00 42.23 O ATOM 1486 CB VAL A 92 -12.050 2.833 -1.369 1.00 41.10 C ATOM 1487 CG1 VAL A 92 -11.102 2.492 -2.546 1.00 70.44 C ATOM 1488 CG2 VAL A 92 -13.423 2.125 -1.532 1.00 40.12 C ATOM 0 H VAL A 92 -13.167 3.300 0.840 1.00 14.54 H new ATOM 0 HA VAL A 92 -11.200 1.417 0.044 1.00 65.33 H new ATOM 0 HB VAL A 92 -12.217 3.910 -1.394 1.00 41.10 H new ATOM 0 HG11 VAL A 92 -11.587 2.745 -3.489 1.00 70.44 H new ATOM 0 HG12 VAL A 92 -10.179 3.064 -2.448 1.00 70.44 H new ATOM 0 HG13 VAL A 92 -10.872 1.427 -2.531 1.00 70.44 H new ATOM 0 HG21 VAL A 92 -13.850 2.378 -2.502 1.00 40.12 H new ATOM 0 HG22 VAL A 92 -13.286 1.046 -1.466 1.00 40.12 H new ATOM 0 HG23 VAL A 92 -14.098 2.454 -0.742 1.00 40.12 H new ATOM 1498 N PHE A 93 -10.154 4.477 0.742 1.00 60.24 N ATOM 1499 CA PHE A 93 -8.977 5.310 1.044 1.00 61.04 C ATOM 1500 C PHE A 93 -8.907 5.540 2.553 1.00 42.24 C ATOM 1501 O PHE A 93 -9.751 6.228 3.119 1.00 61.12 O ATOM 1502 CB PHE A 93 -9.056 6.667 0.305 1.00 45.22 C ATOM 1503 CG PHE A 93 -9.262 6.545 -1.204 1.00 30.24 C ATOM 1504 CD1 PHE A 93 -8.414 5.759 -1.980 1.00 74.05 C ATOM 1505 CD2 PHE A 93 -10.296 7.212 -1.842 1.00 45.45 C ATOM 1506 CE1 PHE A 93 -8.594 5.647 -3.341 1.00 15.41 C ATOM 1507 CE2 PHE A 93 -10.479 7.100 -3.197 1.00 24.32 C ATOM 1508 CZ PHE A 93 -9.629 6.318 -3.950 1.00 50.00 C ATOM 0 H PHE A 93 -11.042 4.924 0.972 1.00 60.24 H new ATOM 0 HA PHE A 93 -8.079 4.794 0.704 1.00 61.04 H new ATOM 0 HB2 PHE A 93 -9.874 7.251 0.726 1.00 45.22 H new ATOM 0 HB3 PHE A 93 -8.138 7.224 0.492 1.00 45.22 H new ATOM 0 HD1 PHE A 93 -7.601 5.228 -1.507 1.00 74.05 H new ATOM 0 HD2 PHE A 93 -10.968 7.829 -1.264 1.00 45.45 H new ATOM 0 HE1 PHE A 93 -7.925 5.035 -3.928 1.00 15.41 H new ATOM 0 HE2 PHE A 93 -11.292 7.626 -3.676 1.00 24.32 H new ATOM 0 HZ PHE A 93 -9.776 6.232 -5.017 1.00 50.00 H new ATOM 1518 N VAL A 94 -7.918 4.931 3.204 1.00 64.15 N ATOM 1519 CA VAL A 94 -7.684 5.097 4.648 1.00 43.53 C ATOM 1520 C VAL A 94 -6.373 5.867 4.855 1.00 10.55 C ATOM 1521 O VAL A 94 -5.497 5.825 3.988 1.00 50.21 O ATOM 1522 CB VAL A 94 -7.628 3.697 5.372 1.00 71.34 C ATOM 1523 CG1 VAL A 94 -7.515 3.858 6.901 1.00 32.11 C ATOM 1524 CG2 VAL A 94 -8.855 2.831 5.008 1.00 30.24 C ATOM 0 H VAL A 94 -7.252 4.306 2.750 1.00 64.15 H new ATOM 0 HA VAL A 94 -8.509 5.660 5.085 1.00 43.53 H new ATOM 0 HB VAL A 94 -6.732 3.186 5.020 1.00 71.34 H new ATOM 0 HG11 VAL A 94 -7.479 2.874 7.369 1.00 32.11 H new ATOM 0 HG12 VAL A 94 -6.606 4.408 7.143 1.00 32.11 H new ATOM 0 HG13 VAL A 94 -8.381 4.405 7.274 1.00 32.11 H new ATOM 0 HG21 VAL A 94 -8.789 1.872 5.522 1.00 30.24 H new ATOM 0 HG22 VAL A 94 -9.766 3.345 5.314 1.00 30.24 H new ATOM 0 HG23 VAL A 94 -8.876 2.665 3.931 1.00 30.24 H new ATOM 1534 N LYS A 95 -6.242 6.579 5.990 1.00 71.24 N ATOM 1535 CA LYS A 95 -5.007 7.289 6.344 1.00 62.31 C ATOM 1536 C LYS A 95 -4.819 7.357 7.861 1.00 42.12 C ATOM 1537 O LYS A 95 -5.698 6.970 8.637 1.00 71.14 O ATOM 1538 CB LYS A 95 -4.985 8.714 5.752 1.00 31.35 C ATOM 1539 CG LYS A 95 -6.054 9.685 6.317 1.00 70.15 C ATOM 1540 CD LYS A 95 -5.769 11.156 5.931 1.00 2.42 C ATOM 1541 CE LYS A 95 -4.448 11.671 6.539 1.00 52.13 C ATOM 1542 NZ LYS A 95 -4.122 13.056 6.104 1.00 55.51 N ATOM 0 H LYS A 95 -6.986 6.676 6.681 1.00 71.24 H new ATOM 0 HA LYS A 95 -4.182 6.722 5.914 1.00 62.31 H new ATOM 0 HB2 LYS A 95 -3.999 9.146 5.924 1.00 31.35 H new ATOM 0 HB3 LYS A 95 -5.117 8.643 4.672 1.00 31.35 H new ATOM 0 HG2 LYS A 95 -7.037 9.397 5.944 1.00 70.15 H new ATOM 0 HG3 LYS A 95 -6.086 9.596 7.403 1.00 70.15 H new ATOM 0 HD2 LYS A 95 -5.726 11.243 4.845 1.00 2.42 H new ATOM 0 HD3 LYS A 95 -6.593 11.785 6.269 1.00 2.42 H new ATOM 0 HE2 LYS A 95 -4.517 11.642 7.626 1.00 52.13 H new ATOM 0 HE3 LYS A 95 -3.635 11.003 6.253 1.00 52.13 H new ATOM 0 HZ1 LYS A 95 -3.370 13.442 6.710 1.00 55.51 H new ATOM 0 HZ2 LYS A 95 -3.798 13.042 5.116 1.00 55.51 H new ATOM 0 HZ3 LYS A 95 -4.970 13.653 6.182 1.00 55.51 H new ATOM 1556 N GLY A 96 -3.650 7.868 8.254 1.00 72.13 N ATOM 1557 CA GLY A 96 -3.259 8.039 9.648 1.00 22.33 C ATOM 1558 C GLY A 96 -1.820 7.608 9.823 1.00 51.14 C ATOM 1559 O GLY A 96 -1.035 7.737 8.888 1.00 50.12 O ATOM 0 H GLY A 96 -2.936 8.180 7.595 1.00 72.13 H new ATOM 0 HA2 GLY A 96 -3.377 9.081 9.945 1.00 22.33 H new ATOM 0 HA3 GLY A 96 -3.908 7.448 10.294 1.00 22.33 H new ATOM 1563 N SER A 97 -1.460 7.108 11.008 1.00 5.41 N ATOM 1564 CA SER A 97 -0.162 6.434 11.216 1.00 52.23 C ATOM 1565 C SER A 97 -0.198 5.032 10.569 1.00 45.31 C ATOM 1566 O SER A 97 -1.241 4.614 10.064 1.00 5.10 O ATOM 1567 CB SER A 97 0.146 6.334 12.726 1.00 64.12 C ATOM 1568 OG SER A 97 1.412 5.731 12.967 1.00 45.24 O ATOM 0 H SER A 97 -2.045 7.154 11.842 1.00 5.41 H new ATOM 0 HA SER A 97 0.630 7.016 10.745 1.00 52.23 H new ATOM 0 HB2 SER A 97 0.128 7.330 13.168 1.00 64.12 H new ATOM 0 HB3 SER A 97 -0.633 5.753 13.218 1.00 64.12 H new ATOM 0 HG SER A 97 1.574 5.686 13.932 1.00 45.24 H new ATOM 1574 N LEU A 98 0.942 4.318 10.587 1.00 63.42 N ATOM 1575 CA LEU A 98 1.041 2.933 10.070 1.00 2.33 C ATOM 1576 C LEU A 98 -0.016 2.023 10.726 1.00 63.54 C ATOM 1577 O LEU A 98 -0.773 1.314 10.044 1.00 1.11 O ATOM 1578 CB LEU A 98 2.469 2.360 10.318 1.00 41.33 C ATOM 1579 CG LEU A 98 2.710 0.899 9.805 1.00 34.23 C ATOM 1580 CD1 LEU A 98 2.498 0.793 8.274 1.00 21.32 C ATOM 1581 CD2 LEU A 98 4.110 0.375 10.220 1.00 64.44 C ATOM 0 H LEU A 98 1.820 4.680 10.958 1.00 63.42 H new ATOM 0 HA LEU A 98 0.853 2.960 8.997 1.00 2.33 H new ATOM 0 HB2 LEU A 98 3.194 3.018 9.839 1.00 41.33 H new ATOM 0 HB3 LEU A 98 2.672 2.388 11.389 1.00 41.33 H new ATOM 0 HG LEU A 98 1.967 0.260 10.283 1.00 34.23 H new ATOM 0 HD11 LEU A 98 2.673 -0.234 7.953 1.00 21.32 H new ATOM 0 HD12 LEU A 98 1.476 1.081 8.027 1.00 21.32 H new ATOM 0 HD13 LEU A 98 3.195 1.457 7.763 1.00 21.32 H new ATOM 0 HD21 LEU A 98 4.243 -0.641 9.848 1.00 64.44 H new ATOM 0 HD22 LEU A 98 4.880 1.020 9.797 1.00 64.44 H new ATOM 0 HD23 LEU A 98 4.192 0.377 11.307 1.00 64.44 H new ATOM 1593 N GLU A 99 -0.066 2.097 12.059 1.00 34.30 N ATOM 1594 CA GLU A 99 -0.944 1.261 12.882 1.00 4.01 C ATOM 1595 C GLU A 99 -2.376 1.806 12.905 1.00 51.50 C ATOM 1596 O GLU A 99 -3.325 1.034 12.872 1.00 25.25 O ATOM 1597 CB GLU A 99 -0.361 1.146 14.312 1.00 53.40 C ATOM 1598 CG GLU A 99 1.106 0.678 14.329 1.00 62.14 C ATOM 1599 CD GLU A 99 1.627 0.327 15.728 1.00 13.35 C ATOM 1600 OE1 GLU A 99 2.084 1.234 16.456 1.00 30.52 O ATOM 1601 OE2 GLU A 99 1.579 -0.864 16.111 1.00 35.43 O ATOM 0 H GLU A 99 0.506 2.744 12.601 1.00 34.30 H new ATOM 0 HA GLU A 99 -0.992 0.265 12.442 1.00 4.01 H new ATOM 0 HB2 GLU A 99 -0.433 2.115 14.807 1.00 53.40 H new ATOM 0 HB3 GLU A 99 -0.966 0.447 14.890 1.00 53.40 H new ATOM 0 HG2 GLU A 99 1.207 -0.195 13.684 1.00 62.14 H new ATOM 0 HG3 GLU A 99 1.733 1.462 13.904 1.00 62.14 H new ATOM 1608 N SER A 100 -2.510 3.139 12.936 1.00 11.42 N ATOM 1609 CA SER A 100 -3.818 3.821 12.993 1.00 0.21 C ATOM 1610 C SER A 100 -4.658 3.531 11.735 1.00 32.30 C ATOM 1611 O SER A 100 -5.833 3.147 11.824 1.00 71.21 O ATOM 1612 CB SER A 100 -3.584 5.330 13.143 1.00 0.44 C ATOM 1613 OG SER A 100 -2.792 5.628 14.291 1.00 11.40 O ATOM 0 H SER A 100 -1.716 3.779 12.922 1.00 11.42 H new ATOM 0 HA SER A 100 -4.376 3.444 13.850 1.00 0.21 H new ATOM 0 HB2 SER A 100 -3.089 5.712 12.250 1.00 0.44 H new ATOM 0 HB3 SER A 100 -4.543 5.841 13.220 1.00 0.44 H new ATOM 0 HG SER A 100 -2.661 6.597 14.355 1.00 11.40 H new ATOM 1619 N ALA A 101 -4.018 3.697 10.568 1.00 11.25 N ATOM 1620 CA ALA A 101 -4.631 3.425 9.259 1.00 33.43 C ATOM 1621 C ALA A 101 -4.986 1.934 9.117 1.00 52.14 C ATOM 1622 O ALA A 101 -5.929 1.578 8.424 1.00 51.35 O ATOM 1623 CB ALA A 101 -3.678 3.876 8.143 1.00 65.40 C ATOM 0 H ALA A 101 -3.054 4.026 10.505 1.00 11.25 H new ATOM 0 HA ALA A 101 -5.560 3.989 9.177 1.00 33.43 H new ATOM 0 HB1 ALA A 101 -4.132 3.674 7.173 1.00 65.40 H new ATOM 0 HB2 ALA A 101 -3.486 4.945 8.239 1.00 65.40 H new ATOM 0 HB3 ALA A 101 -2.738 3.330 8.224 1.00 65.40 H new ATOM 1629 N ALA A 102 -4.220 1.077 9.805 1.00 31.01 N ATOM 1630 CA ALA A 102 -4.427 -0.375 9.796 1.00 75.43 C ATOM 1631 C ALA A 102 -5.695 -0.761 10.582 1.00 11.41 C ATOM 1632 O ALA A 102 -6.468 -1.621 10.141 1.00 70.30 O ATOM 1633 CB ALA A 102 -3.192 -1.055 10.374 1.00 54.23 C ATOM 0 H ALA A 102 -3.436 1.374 10.386 1.00 31.01 H new ATOM 0 HA ALA A 102 -4.575 -0.711 8.770 1.00 75.43 H new ATOM 0 HB1 ALA A 102 -3.337 -2.135 10.371 1.00 54.23 H new ATOM 0 HB2 ALA A 102 -2.321 -0.804 9.768 1.00 54.23 H new ATOM 0 HB3 ALA A 102 -3.033 -0.713 11.397 1.00 54.23 H new ATOM 1639 N GLU A 103 -5.900 -0.101 11.741 1.00 24.32 N ATOM 1640 CA GLU A 103 -7.074 -0.339 12.615 1.00 34.21 C ATOM 1641 C GLU A 103 -8.371 0.103 11.913 1.00 73.32 C ATOM 1642 O GLU A 103 -9.399 -0.582 11.990 1.00 62.24 O ATOM 1643 CB GLU A 103 -6.917 0.413 13.964 1.00 20.54 C ATOM 1644 CG GLU A 103 -5.645 0.044 14.748 1.00 53.11 C ATOM 1645 CD GLU A 103 -5.477 0.834 16.058 1.00 54.11 C ATOM 1646 OE1 GLU A 103 -5.233 2.055 15.989 1.00 13.33 O ATOM 1647 OE2 GLU A 103 -5.586 0.241 17.157 1.00 73.24 O ATOM 0 H GLU A 103 -5.261 0.609 12.098 1.00 24.32 H new ATOM 0 HA GLU A 103 -7.132 -1.408 12.817 1.00 34.21 H new ATOM 0 HB2 GLU A 103 -6.913 1.486 13.771 1.00 20.54 H new ATOM 0 HB3 GLU A 103 -7.787 0.205 14.587 1.00 20.54 H new ATOM 0 HG2 GLU A 103 -5.665 -1.022 14.976 1.00 53.11 H new ATOM 0 HG3 GLU A 103 -4.775 0.218 14.115 1.00 53.11 H new ATOM 1654 N GLN A 104 -8.291 1.251 11.223 1.00 60.53 N ATOM 1655 CA GLN A 104 -9.422 1.820 10.463 1.00 60.52 C ATOM 1656 C GLN A 104 -9.721 0.985 9.200 1.00 62.05 C ATOM 1657 O GLN A 104 -10.878 0.845 8.800 1.00 24.44 O ATOM 1658 CB GLN A 104 -9.112 3.285 10.082 1.00 24.32 C ATOM 1659 CG GLN A 104 -8.901 4.227 11.281 1.00 35.41 C ATOM 1660 CD GLN A 104 -8.464 5.628 10.851 1.00 60.52 C ATOM 1661 OE1 GLN A 104 -9.285 6.518 10.625 1.00 33.11 O ATOM 1662 NE2 GLN A 104 -7.162 5.819 10.702 1.00 63.33 N ATOM 0 H GLN A 104 -7.442 1.814 11.174 1.00 60.53 H new ATOM 0 HA GLN A 104 -10.310 1.795 11.095 1.00 60.52 H new ATOM 0 HB2 GLN A 104 -8.217 3.303 9.460 1.00 24.32 H new ATOM 0 HB3 GLN A 104 -9.931 3.670 9.474 1.00 24.32 H new ATOM 0 HG2 GLN A 104 -9.827 4.297 11.852 1.00 35.41 H new ATOM 0 HG3 GLN A 104 -8.148 3.802 11.945 1.00 35.41 H new ATOM 0 HE21 GLN A 104 -6.509 5.060 10.898 1.00 63.33 H new ATOM 0 HE22 GLN A 104 -6.812 6.725 10.391 1.00 63.33 H new ATOM 1671 N ALA A 105 -8.665 0.432 8.575 1.00 2.31 N ATOM 1672 CA ALA A 105 -8.804 -0.454 7.392 1.00 51.12 C ATOM 1673 C ALA A 105 -9.104 -1.907 7.807 1.00 21.32 C ATOM 1674 O ALA A 105 -9.359 -2.752 6.948 1.00 20.24 O ATOM 1675 CB ALA A 105 -7.539 -0.390 6.524 1.00 0.11 C ATOM 0 H ALA A 105 -7.699 0.581 8.867 1.00 2.31 H new ATOM 0 HA ALA A 105 -9.650 -0.097 6.805 1.00 51.12 H new ATOM 0 HB1 ALA A 105 -7.657 -1.045 5.661 1.00 0.11 H new ATOM 0 HB2 ALA A 105 -7.382 0.634 6.184 1.00 0.11 H new ATOM 0 HB3 ALA A 105 -6.679 -0.713 7.110 1.00 0.11 H new ATOM 1681 N GLY A 106 -9.034 -2.191 9.120 1.00 10.41 N ATOM 1682 CA GLY A 106 -9.427 -3.493 9.664 1.00 62.23 C ATOM 1683 C GLY A 106 -8.495 -4.625 9.238 1.00 73.42 C ATOM 1684 O GLY A 106 -8.932 -5.759 9.059 1.00 43.11 O ATOM 0 H GLY A 106 -8.706 -1.529 9.823 1.00 10.41 H new ATOM 0 HA2 GLY A 106 -9.445 -3.435 10.752 1.00 62.23 H new ATOM 0 HA3 GLY A 106 -10.442 -3.724 9.340 1.00 62.23 H new ATOM 1688 N ILE A 107 -7.214 -4.293 9.050 1.00 55.20 N ATOM 1689 CA ILE A 107 -6.152 -5.260 8.714 1.00 43.22 C ATOM 1690 C ILE A 107 -5.495 -5.736 10.027 1.00 4.12 C ATOM 1691 O ILE A 107 -5.553 -5.007 11.030 1.00 24.41 O ATOM 1692 CB ILE A 107 -5.057 -4.587 7.794 1.00 71.20 C ATOM 1693 CG1 ILE A 107 -5.697 -3.687 6.694 1.00 43.12 C ATOM 1694 CG2 ILE A 107 -4.141 -5.649 7.140 1.00 52.43 C ATOM 1695 CD1 ILE A 107 -4.695 -2.845 5.925 1.00 34.00 C ATOM 0 H ILE A 107 -6.876 -3.334 9.127 1.00 55.20 H new ATOM 0 HA ILE A 107 -6.586 -6.101 8.174 1.00 43.22 H new ATOM 0 HB ILE A 107 -4.451 -3.953 8.441 1.00 71.20 H new ATOM 0 HG12 ILE A 107 -6.239 -4.320 5.991 1.00 43.12 H new ATOM 0 HG13 ILE A 107 -6.429 -3.027 7.159 1.00 43.12 H new ATOM 0 HG21 ILE A 107 -3.399 -5.154 6.514 1.00 52.43 H new ATOM 0 HG22 ILE A 107 -3.635 -6.222 7.917 1.00 52.43 H new ATOM 0 HG23 ILE A 107 -4.742 -6.321 6.527 1.00 52.43 H new ATOM 0 HD11 ILE A 107 -5.219 -2.248 5.179 1.00 34.00 H new ATOM 0 HD12 ILE A 107 -4.169 -2.185 6.615 1.00 34.00 H new ATOM 0 HD13 ILE A 107 -3.977 -3.497 5.429 1.00 34.00 H new ATOM 1707 N VAL A 108 -4.863 -6.935 10.034 1.00 51.33 N ATOM 1708 CA VAL A 108 -4.106 -7.397 11.208 1.00 12.54 C ATOM 1709 C VAL A 108 -2.828 -6.533 11.354 1.00 3.01 C ATOM 1710 O VAL A 108 -1.813 -6.733 10.655 1.00 22.41 O ATOM 1711 CB VAL A 108 -3.754 -8.928 11.166 1.00 5.51 C ATOM 1712 CG1 VAL A 108 -2.985 -9.352 12.440 1.00 23.33 C ATOM 1713 CG2 VAL A 108 -5.024 -9.796 10.968 1.00 60.42 C ATOM 0 H VAL A 108 -4.865 -7.586 9.249 1.00 51.33 H new ATOM 0 HA VAL A 108 -4.745 -7.274 12.082 1.00 12.54 H new ATOM 0 HB VAL A 108 -3.105 -9.095 10.307 1.00 5.51 H new ATOM 0 HG11 VAL A 108 -2.753 -10.416 12.388 1.00 23.33 H new ATOM 0 HG12 VAL A 108 -2.059 -8.781 12.513 1.00 23.33 H new ATOM 0 HG13 VAL A 108 -3.601 -9.158 13.318 1.00 23.33 H new ATOM 0 HG21 VAL A 108 -4.745 -10.849 10.943 1.00 60.42 H new ATOM 0 HG22 VAL A 108 -5.715 -9.623 11.793 1.00 60.42 H new ATOM 0 HG23 VAL A 108 -5.506 -9.527 10.028 1.00 60.42 H new ATOM 1723 N VAL A 109 -2.946 -5.536 12.245 1.00 44.44 N ATOM 1724 CA VAL A 109 -1.911 -4.528 12.516 1.00 61.25 C ATOM 1725 C VAL A 109 -0.590 -5.201 12.932 1.00 74.03 C ATOM 1726 O VAL A 109 0.483 -4.841 12.448 1.00 22.43 O ATOM 1727 CB VAL A 109 -2.376 -3.533 13.650 1.00 63.15 C ATOM 1728 CG1 VAL A 109 -1.361 -2.385 13.855 1.00 14.43 C ATOM 1729 CG2 VAL A 109 -3.793 -2.977 13.375 1.00 61.41 C ATOM 0 H VAL A 109 -3.785 -5.406 12.810 1.00 44.44 H new ATOM 0 HA VAL A 109 -1.750 -3.965 11.597 1.00 61.25 H new ATOM 0 HB VAL A 109 -2.418 -4.105 14.577 1.00 63.15 H new ATOM 0 HG11 VAL A 109 -1.716 -1.722 14.643 1.00 14.43 H new ATOM 0 HG12 VAL A 109 -0.394 -2.801 14.139 1.00 14.43 H new ATOM 0 HG13 VAL A 109 -1.256 -1.822 12.927 1.00 14.43 H new ATOM 0 HG21 VAL A 109 -4.079 -2.296 14.177 1.00 61.41 H new ATOM 0 HG22 VAL A 109 -3.796 -2.441 12.426 1.00 61.41 H new ATOM 0 HG23 VAL A 109 -4.505 -3.801 13.328 1.00 61.41 H new ATOM 1739 N ASP A 110 -0.732 -6.221 13.789 1.00 25.31 N ATOM 1740 CA ASP A 110 0.386 -6.983 14.381 1.00 12.53 C ATOM 1741 C ASP A 110 1.326 -7.560 13.300 1.00 21.24 C ATOM 1742 O ASP A 110 2.553 -7.518 13.452 1.00 30.53 O ATOM 1743 CB ASP A 110 -0.198 -8.118 15.269 1.00 44.34 C ATOM 1744 CG ASP A 110 0.863 -8.903 16.064 1.00 30.14 C ATOM 1745 OD1 ASP A 110 1.413 -9.889 15.537 1.00 12.24 O ATOM 1746 OD2 ASP A 110 1.158 -8.528 17.215 1.00 21.35 O ATOM 0 H ASP A 110 -1.646 -6.550 14.100 1.00 25.31 H new ATOM 0 HA ASP A 110 0.988 -6.308 14.990 1.00 12.53 H new ATOM 0 HB2 ASP A 110 -0.914 -7.686 15.968 1.00 44.34 H new ATOM 0 HB3 ASP A 110 -0.750 -8.813 14.636 1.00 44.34 H new ATOM 1751 N GLU A 111 0.734 -8.068 12.206 1.00 3.21 N ATOM 1752 CA GLU A 111 1.493 -8.676 11.095 1.00 33.14 C ATOM 1753 C GLU A 111 2.129 -7.607 10.191 1.00 34.22 C ATOM 1754 O GLU A 111 3.313 -7.708 9.868 1.00 53.12 O ATOM 1755 CB GLU A 111 0.588 -9.613 10.252 1.00 13.14 C ATOM 1756 CG GLU A 111 -0.055 -10.777 11.036 1.00 43.21 C ATOM 1757 CD GLU A 111 0.964 -11.731 11.688 1.00 53.31 C ATOM 1758 OE1 GLU A 111 1.866 -12.233 10.978 1.00 11.20 O ATOM 1759 OE2 GLU A 111 0.872 -11.987 12.910 1.00 0.01 O ATOM 0 H GLU A 111 -0.276 -8.070 12.065 1.00 3.21 H new ATOM 0 HA GLU A 111 2.295 -9.266 11.539 1.00 33.14 H new ATOM 0 HB2 GLU A 111 -0.205 -9.017 9.800 1.00 13.14 H new ATOM 0 HB3 GLU A 111 1.180 -10.028 9.436 1.00 13.14 H new ATOM 0 HG2 GLU A 111 -0.701 -10.366 11.812 1.00 43.21 H new ATOM 0 HG3 GLU A 111 -0.692 -11.348 10.361 1.00 43.21 H new ATOM 1766 N LEU A 112 1.337 -6.585 9.779 1.00 25.41 N ATOM 1767 CA LEU A 112 1.813 -5.581 8.785 1.00 51.02 C ATOM 1768 C LEU A 112 2.926 -4.671 9.333 1.00 61.52 C ATOM 1769 O LEU A 112 3.727 -4.162 8.562 1.00 72.35 O ATOM 1770 CB LEU A 112 0.647 -4.745 8.191 1.00 4.04 C ATOM 1771 CG LEU A 112 -0.204 -3.866 9.178 1.00 33.11 C ATOM 1772 CD1 LEU A 112 0.416 -2.469 9.467 1.00 12.13 C ATOM 1773 CD2 LEU A 112 -1.645 -3.723 8.669 1.00 3.44 C ATOM 0 H LEU A 112 0.384 -6.433 10.110 1.00 25.41 H new ATOM 0 HA LEU A 112 2.253 -6.160 7.973 1.00 51.02 H new ATOM 0 HB2 LEU A 112 1.062 -4.086 7.429 1.00 4.04 H new ATOM 0 HB3 LEU A 112 -0.032 -5.431 7.684 1.00 4.04 H new ATOM 0 HG LEU A 112 -0.205 -4.397 10.130 1.00 33.11 H new ATOM 0 HD11 LEU A 112 -0.227 -1.921 10.155 1.00 12.13 H new ATOM 0 HD12 LEU A 112 1.402 -2.594 9.914 1.00 12.13 H new ATOM 0 HD13 LEU A 112 0.508 -1.912 8.535 1.00 12.13 H new ATOM 0 HD21 LEU A 112 -2.218 -3.111 9.366 1.00 3.44 H new ATOM 0 HD22 LEU A 112 -1.639 -3.247 7.688 1.00 3.44 H new ATOM 0 HD23 LEU A 112 -2.103 -4.709 8.591 1.00 3.44 H new ATOM 1785 N VAL A 113 2.948 -4.452 10.656 1.00 70.35 N ATOM 1786 CA VAL A 113 3.994 -3.631 11.312 1.00 22.52 C ATOM 1787 C VAL A 113 5.356 -4.328 11.187 1.00 62.02 C ATOM 1788 O VAL A 113 6.370 -3.672 10.910 1.00 43.44 O ATOM 1789 CB VAL A 113 3.647 -3.316 12.819 1.00 12.42 C ATOM 1790 CG1 VAL A 113 4.824 -2.639 13.578 1.00 24.14 C ATOM 1791 CG2 VAL A 113 2.379 -2.441 12.908 1.00 70.24 C ATOM 0 H VAL A 113 2.254 -4.831 11.300 1.00 70.35 H new ATOM 0 HA VAL A 113 4.039 -2.670 10.799 1.00 22.52 H new ATOM 0 HB VAL A 113 3.462 -4.273 13.307 1.00 12.42 H new ATOM 0 HG11 VAL A 113 4.529 -2.446 14.609 1.00 24.14 H new ATOM 0 HG12 VAL A 113 5.692 -3.299 13.567 1.00 24.14 H new ATOM 0 HG13 VAL A 113 5.078 -1.698 13.091 1.00 24.14 H new ATOM 0 HG21 VAL A 113 2.153 -2.233 13.954 1.00 70.24 H new ATOM 0 HG22 VAL A 113 2.547 -1.503 12.379 1.00 70.24 H new ATOM 0 HG23 VAL A 113 1.540 -2.969 12.454 1.00 70.24 H new ATOM 1801 N GLN A 114 5.343 -5.670 11.331 1.00 65.52 N ATOM 1802 CA GLN A 114 6.531 -6.510 11.091 1.00 4.22 C ATOM 1803 C GLN A 114 6.918 -6.399 9.617 1.00 4.11 C ATOM 1804 O GLN A 114 8.027 -6.025 9.295 1.00 74.21 O ATOM 1805 CB GLN A 114 6.247 -7.990 11.461 1.00 61.54 C ATOM 1806 CG GLN A 114 5.899 -8.219 12.946 1.00 21.41 C ATOM 1807 CD GLN A 114 7.067 -7.933 13.908 1.00 52.44 C ATOM 1808 OE1 GLN A 114 7.827 -8.833 14.270 1.00 72.30 O ATOM 1809 NE2 GLN A 114 7.232 -6.679 14.298 1.00 13.04 N ATOM 0 H GLN A 114 4.516 -6.196 11.614 1.00 65.52 H new ATOM 0 HA GLN A 114 7.351 -6.163 11.719 1.00 4.22 H new ATOM 0 HB2 GLN A 114 5.423 -8.354 10.847 1.00 61.54 H new ATOM 0 HB3 GLN A 114 7.122 -8.589 11.209 1.00 61.54 H new ATOM 0 HG2 GLN A 114 5.055 -7.583 13.214 1.00 21.41 H new ATOM 0 HG3 GLN A 114 5.575 -9.251 13.079 1.00 21.41 H new ATOM 0 HE21 GLN A 114 6.585 -5.957 13.981 1.00 13.04 H new ATOM 0 HE22 GLN A 114 8.006 -6.435 14.916 1.00 13.04 H new ATOM 1818 N THR A 115 5.938 -6.664 8.759 1.00 4.14 N ATOM 1819 CA THR A 115 6.068 -6.639 7.294 1.00 73.25 C ATOM 1820 C THR A 115 6.711 -5.324 6.761 1.00 14.11 C ATOM 1821 O THR A 115 7.582 -5.372 5.883 1.00 64.12 O ATOM 1822 CB THR A 115 4.650 -6.889 6.681 1.00 43.31 C ATOM 1823 OG1 THR A 115 4.260 -8.260 6.900 1.00 10.21 O ATOM 1824 CG2 THR A 115 4.552 -6.552 5.194 1.00 14.12 C ATOM 0 H THR A 115 4.998 -6.911 9.068 1.00 4.14 H new ATOM 0 HA THR A 115 6.755 -7.427 6.985 1.00 73.25 H new ATOM 0 HB THR A 115 3.969 -6.209 7.193 1.00 43.31 H new ATOM 0 HG1 THR A 115 3.313 -8.371 6.672 1.00 10.21 H new ATOM 0 HG21 THR A 115 3.540 -6.751 4.842 1.00 14.12 H new ATOM 0 HG22 THR A 115 4.788 -5.499 5.043 1.00 14.12 H new ATOM 0 HG23 THR A 115 5.258 -7.165 4.635 1.00 14.12 H new ATOM 1832 N VAL A 116 6.307 -4.172 7.326 1.00 13.45 N ATOM 1833 CA VAL A 116 6.792 -2.851 6.887 1.00 70.42 C ATOM 1834 C VAL A 116 8.193 -2.561 7.454 1.00 73.10 C ATOM 1835 O VAL A 116 9.023 -2.010 6.744 1.00 32.41 O ATOM 1836 CB VAL A 116 5.768 -1.701 7.247 1.00 71.24 C ATOM 1837 CG1 VAL A 116 6.338 -0.280 6.981 1.00 71.21 C ATOM 1838 CG2 VAL A 116 4.434 -1.904 6.476 1.00 4.21 C ATOM 0 H VAL A 116 5.639 -4.130 8.096 1.00 13.45 H new ATOM 0 HA VAL A 116 6.872 -2.875 5.800 1.00 70.42 H new ATOM 0 HB VAL A 116 5.581 -1.769 8.319 1.00 71.24 H new ATOM 0 HG11 VAL A 116 5.590 0.467 7.247 1.00 71.21 H new ATOM 0 HG12 VAL A 116 7.233 -0.128 7.584 1.00 71.21 H new ATOM 0 HG13 VAL A 116 6.591 -0.181 5.925 1.00 71.21 H new ATOM 0 HG21 VAL A 116 3.739 -1.105 6.734 1.00 4.21 H new ATOM 0 HG22 VAL A 116 4.627 -1.885 5.403 1.00 4.21 H new ATOM 0 HG23 VAL A 116 3.999 -2.865 6.749 1.00 4.21 H new ATOM 1848 N LYS A 117 8.471 -2.943 8.720 1.00 13.41 N ATOM 1849 CA LYS A 117 9.806 -2.685 9.340 1.00 4.54 C ATOM 1850 C LYS A 117 10.875 -3.691 8.843 1.00 43.15 C ATOM 1851 O LYS A 117 12.073 -3.399 8.887 1.00 51.34 O ATOM 1852 CB LYS A 117 9.728 -2.682 10.890 1.00 13.03 C ATOM 1853 CG LYS A 117 9.472 -4.061 11.545 1.00 63.21 C ATOM 1854 CD LYS A 117 9.295 -3.985 13.080 1.00 24.33 C ATOM 1855 CE LYS A 117 10.536 -3.433 13.805 1.00 44.53 C ATOM 1856 NZ LYS A 117 10.357 -3.437 15.279 1.00 71.00 N ATOM 0 H LYS A 117 7.808 -3.423 9.329 1.00 13.41 H new ATOM 0 HA LYS A 117 10.114 -1.690 9.020 1.00 4.54 H new ATOM 0 HB2 LYS A 117 10.662 -2.280 11.283 1.00 13.03 H new ATOM 0 HB3 LYS A 117 8.934 -2.001 11.196 1.00 13.03 H new ATOM 0 HG2 LYS A 117 8.579 -4.505 11.105 1.00 63.21 H new ATOM 0 HG3 LYS A 117 10.305 -4.725 11.315 1.00 63.21 H new ATOM 0 HD2 LYS A 117 8.437 -3.354 13.310 1.00 24.33 H new ATOM 0 HD3 LYS A 117 9.070 -4.980 13.463 1.00 24.33 H new ATOM 0 HE2 LYS A 117 11.408 -4.032 13.542 1.00 44.53 H new ATOM 0 HE3 LYS A 117 10.734 -2.416 13.465 1.00 44.53 H new ATOM 0 HZ1 LYS A 117 11.212 -3.059 15.734 1.00 71.00 H new ATOM 0 HZ2 LYS A 117 9.540 -2.845 15.531 1.00 71.00 H new ATOM 0 HZ3 LYS A 117 10.193 -4.410 15.606 1.00 71.00 H new ATOM 1870 N ASN A 118 10.423 -4.876 8.382 1.00 15.42 N ATOM 1871 CA ASN A 118 11.296 -5.913 7.773 1.00 63.33 C ATOM 1872 C ASN A 118 11.640 -5.496 6.345 1.00 70.44 C ATOM 1873 O ASN A 118 12.757 -5.731 5.867 1.00 5.31 O ATOM 1874 CB ASN A 118 10.611 -7.318 7.779 1.00 11.31 C ATOM 1875 CG ASN A 118 10.364 -7.870 9.189 1.00 43.31 C ATOM 1876 OD1 ASN A 118 11.099 -7.568 10.120 1.00 54.22 O ATOM 1877 ND2 ASN A 118 9.325 -8.685 9.359 1.00 50.33 N ATOM 0 H ASN A 118 9.440 -5.146 8.420 1.00 15.42 H new ATOM 0 HA ASN A 118 12.207 -5.995 8.366 1.00 63.33 H new ATOM 0 HB2 ASN A 118 9.660 -7.252 7.251 1.00 11.31 H new ATOM 0 HB3 ASN A 118 11.235 -8.020 7.226 1.00 11.31 H new ATOM 0 HD21 ASN A 118 9.127 -9.073 10.281 1.00 50.33 H new ATOM 0 HD22 ASN A 118 8.727 -8.921 8.567 1.00 50.33 H new ATOM 1884 N TYR A 119 10.645 -4.877 5.682 1.00 72.11 N ATOM 1885 CA TYR A 119 10.824 -4.191 4.397 1.00 54.54 C ATOM 1886 C TYR A 119 11.885 -3.091 4.555 1.00 71.14 C ATOM 1887 O TYR A 119 12.935 -3.147 3.920 1.00 62.02 O ATOM 1888 CB TYR A 119 9.458 -3.619 3.910 1.00 12.41 C ATOM 1889 CG TYR A 119 9.537 -2.577 2.775 1.00 61.21 C ATOM 1890 CD1 TYR A 119 9.790 -2.951 1.454 1.00 70.22 C ATOM 1891 CD2 TYR A 119 9.355 -1.216 3.039 1.00 44.01 C ATOM 1892 CE1 TYR A 119 9.856 -2.011 0.448 1.00 22.15 C ATOM 1893 CE2 TYR A 119 9.423 -0.277 2.038 1.00 0.03 C ATOM 1894 CZ TYR A 119 9.672 -0.679 0.747 1.00 3.04 C ATOM 1895 OH TYR A 119 9.716 0.251 -0.253 1.00 4.42 O ATOM 0 H TYR A 119 9.687 -4.841 6.030 1.00 72.11 H new ATOM 0 HA TYR A 119 11.174 -4.892 3.639 1.00 54.54 H new ATOM 0 HB2 TYR A 119 8.836 -4.449 3.574 1.00 12.41 H new ATOM 0 HB3 TYR A 119 8.951 -3.165 4.761 1.00 12.41 H new ATOM 0 HD1 TYR A 119 9.936 -3.994 1.216 1.00 70.22 H new ATOM 0 HD2 TYR A 119 9.157 -0.896 4.051 1.00 44.01 H new ATOM 0 HE1 TYR A 119 10.051 -2.317 -0.569 1.00 22.15 H new ATOM 0 HE2 TYR A 119 9.282 0.770 2.264 1.00 0.03 H new ATOM 0 HH TYR A 119 10.149 1.066 0.077 1.00 4.42 H new ATOM 1905 N GLN A 120 11.613 -2.151 5.472 1.00 15.15 N ATOM 1906 CA GLN A 120 12.487 -0.996 5.757 1.00 75.34 C ATOM 1907 C GLN A 120 13.866 -1.444 6.283 1.00 42.14 C ATOM 1908 O GLN A 120 14.849 -0.696 6.167 1.00 70.24 O ATOM 1909 CB GLN A 120 11.789 -0.040 6.765 1.00 24.21 C ATOM 1910 CG GLN A 120 10.546 0.686 6.192 1.00 31.25 C ATOM 1911 CD GLN A 120 9.914 1.703 7.153 1.00 43.13 C ATOM 1912 OE1 GLN A 120 9.943 1.535 8.370 1.00 52.04 O ATOM 1913 NE2 GLN A 120 9.351 2.781 6.603 1.00 33.43 N ATOM 0 H GLN A 120 10.770 -2.169 6.046 1.00 15.15 H new ATOM 0 HA GLN A 120 12.659 -0.459 4.824 1.00 75.34 H new ATOM 0 HB2 GLN A 120 11.490 -0.612 7.644 1.00 24.21 H new ATOM 0 HB3 GLN A 120 12.510 0.706 7.100 1.00 24.21 H new ATOM 0 HG2 GLN A 120 10.830 1.199 5.273 1.00 31.25 H new ATOM 0 HG3 GLN A 120 9.796 -0.058 5.923 1.00 31.25 H new ATOM 0 HE21 GLN A 120 9.343 2.891 5.589 1.00 33.43 H new ATOM 0 HE22 GLN A 120 8.929 3.495 7.197 1.00 33.43 H new ATOM 1922 N GLY A 121 13.911 -2.671 6.844 1.00 3.24 N ATOM 1923 CA GLY A 121 15.151 -3.294 7.279 1.00 11.34 C ATOM 1924 C GLY A 121 16.014 -3.683 6.090 1.00 53.24 C ATOM 1925 O GLY A 121 17.167 -3.260 5.997 1.00 11.13 O ATOM 0 H GLY A 121 13.083 -3.246 7.002 1.00 3.24 H new ATOM 0 HA2 GLY A 121 15.701 -2.607 7.922 1.00 11.34 H new ATOM 0 HA3 GLY A 121 14.928 -4.179 7.875 1.00 11.34 H new ATOM 1929 N TYR A 122 15.438 -4.446 5.145 1.00 2.13 N ATOM 1930 CA TYR A 122 16.194 -4.957 3.984 1.00 32.10 C ATOM 1931 C TYR A 122 16.486 -3.843 2.949 1.00 70.11 C ATOM 1932 O TYR A 122 17.383 -3.990 2.106 1.00 42.23 O ATOM 1933 CB TYR A 122 15.527 -6.229 3.360 1.00 65.31 C ATOM 1934 CG TYR A 122 14.179 -6.110 2.584 1.00 54.32 C ATOM 1935 CD1 TYR A 122 14.038 -5.305 1.446 1.00 73.31 C ATOM 1936 CD2 TYR A 122 13.071 -6.892 2.940 1.00 40.35 C ATOM 1937 CE1 TYR A 122 12.862 -5.269 0.724 1.00 33.02 C ATOM 1938 CE2 TYR A 122 11.901 -6.870 2.207 1.00 44.10 C ATOM 1939 CZ TYR A 122 11.802 -6.058 1.102 1.00 72.23 C ATOM 1940 OH TYR A 122 10.645 -6.047 0.363 1.00 53.42 O ATOM 0 H TYR A 122 14.456 -4.722 5.160 1.00 2.13 H new ATOM 0 HA TYR A 122 17.167 -5.286 4.349 1.00 32.10 H new ATOM 0 HB2 TYR A 122 16.253 -6.673 2.679 1.00 65.31 H new ATOM 0 HB3 TYR A 122 15.371 -6.942 4.170 1.00 65.31 H new ATOM 0 HD1 TYR A 122 14.871 -4.697 1.125 1.00 73.31 H new ATOM 0 HD2 TYR A 122 13.134 -7.528 3.810 1.00 40.35 H new ATOM 0 HE1 TYR A 122 12.775 -4.622 -0.136 1.00 33.02 H new ATOM 0 HE2 TYR A 122 11.066 -7.489 2.501 1.00 44.10 H new ATOM 0 HH TYR A 122 9.995 -6.661 0.764 1.00 53.42 H new ATOM 1950 N VAL A 123 15.710 -2.739 3.021 1.00 74.45 N ATOM 1951 CA VAL A 123 15.916 -1.552 2.174 1.00 71.23 C ATOM 1952 C VAL A 123 17.277 -0.895 2.482 1.00 12.55 C ATOM 1953 O VAL A 123 18.075 -0.676 1.570 1.00 14.23 O ATOM 1954 CB VAL A 123 14.760 -0.491 2.342 1.00 54.31 C ATOM 1955 CG1 VAL A 123 15.137 0.870 1.711 1.00 44.01 C ATOM 1956 CG2 VAL A 123 13.429 -1.006 1.743 1.00 74.13 C ATOM 0 H VAL A 123 14.926 -2.650 3.667 1.00 74.45 H new ATOM 0 HA VAL A 123 15.904 -1.895 1.139 1.00 71.23 H new ATOM 0 HB VAL A 123 14.622 -0.342 3.413 1.00 54.31 H new ATOM 0 HG11 VAL A 123 14.316 1.574 1.847 1.00 44.01 H new ATOM 0 HG12 VAL A 123 16.033 1.260 2.194 1.00 44.01 H new ATOM 0 HG13 VAL A 123 15.328 0.737 0.646 1.00 44.01 H new ATOM 0 HG21 VAL A 123 12.654 -0.251 1.876 1.00 74.13 H new ATOM 0 HG22 VAL A 123 13.562 -1.207 0.680 1.00 74.13 H new ATOM 0 HG23 VAL A 123 13.132 -1.924 2.251 1.00 74.13 H new ATOM 1966 N GLN A 124 17.528 -0.592 3.770 1.00 24.23 N ATOM 1967 CA GLN A 124 18.792 0.062 4.211 1.00 30.35 C ATOM 1968 C GLN A 124 20.001 -0.888 4.084 1.00 21.42 C ATOM 1969 O GLN A 124 21.149 -0.436 4.039 1.00 40.55 O ATOM 1970 CB GLN A 124 18.655 0.602 5.656 1.00 74.42 C ATOM 1971 CG GLN A 124 18.194 -0.440 6.682 1.00 2.11 C ATOM 1972 CD GLN A 124 17.920 0.136 8.077 1.00 73.32 C ATOM 1973 OE1 GLN A 124 18.550 1.099 8.504 1.00 60.14 O ATOM 1974 NE2 GLN A 124 16.965 -0.444 8.787 1.00 71.13 N ATOM 0 H GLN A 124 16.876 -0.787 4.530 1.00 24.23 H new ATOM 0 HA GLN A 124 18.975 0.907 3.547 1.00 30.35 H new ATOM 0 HB2 GLN A 124 19.617 1.005 5.973 1.00 74.42 H new ATOM 0 HB3 GLN A 124 17.947 1.431 5.655 1.00 74.42 H new ATOM 0 HG2 GLN A 124 17.287 -0.920 6.314 1.00 2.11 H new ATOM 0 HG3 GLN A 124 18.955 -1.216 6.764 1.00 2.11 H new ATOM 0 HE21 GLN A 124 16.459 -1.243 8.405 1.00 71.13 H new ATOM 0 HE22 GLN A 124 16.735 -0.092 9.716 1.00 71.13 H new ATOM 1983 N ASP A 125 19.727 -2.205 4.031 1.00 60.31 N ATOM 1984 CA ASP A 125 20.740 -3.231 3.704 1.00 23.45 C ATOM 1985 C ASP A 125 21.085 -3.201 2.199 1.00 75.43 C ATOM 1986 O ASP A 125 22.179 -3.617 1.807 1.00 13.41 O ATOM 1987 CB ASP A 125 20.225 -4.646 4.093 1.00 3.01 C ATOM 1988 CG ASP A 125 20.065 -4.870 5.606 1.00 11.04 C ATOM 1989 OD1 ASP A 125 20.964 -4.477 6.382 1.00 73.12 O ATOM 1990 OD2 ASP A 125 19.049 -5.465 6.030 1.00 22.11 O ATOM 0 H ASP A 125 18.800 -2.589 4.213 1.00 60.31 H new ATOM 0 HA ASP A 125 21.641 -3.008 4.276 1.00 23.45 H new ATOM 0 HB2 ASP A 125 19.263 -4.815 3.609 1.00 3.01 H new ATOM 0 HB3 ASP A 125 20.915 -5.392 3.699 1.00 3.01 H new ATOM 1995 N GLY A 126 20.140 -2.686 1.380 1.00 21.15 N ATOM 1996 CA GLY A 126 20.286 -2.626 -0.082 1.00 42.45 C ATOM 1997 C GLY A 126 20.183 -4.000 -0.724 1.00 54.43 C ATOM 1998 O GLY A 126 20.921 -4.313 -1.659 1.00 62.41 O ATOM 0 H GLY A 126 19.258 -2.302 1.719 1.00 21.15 H new ATOM 0 HA2 GLY A 126 19.517 -1.974 -0.496 1.00 42.45 H new ATOM 0 HA3 GLY A 126 21.249 -2.181 -0.332 1.00 42.45 H new ATOM 2002 N HIS A 127 19.269 -4.822 -0.199 1.00 73.41 N ATOM 2003 CA HIS A 127 19.067 -6.201 -0.654 1.00 12.54 C ATOM 2004 C HIS A 127 17.617 -6.607 -0.392 1.00 73.43 C ATOM 2005 O HIS A 127 17.234 -6.795 0.759 1.00 71.02 O ATOM 2006 CB HIS A 127 20.055 -7.165 0.066 1.00 12.04 C ATOM 2007 CG HIS A 127 19.898 -8.623 -0.312 1.00 42.21 C ATOM 2008 ND1 HIS A 127 20.449 -9.171 -1.451 1.00 43.25 N ATOM 2009 CD2 HIS A 127 19.226 -9.633 0.293 1.00 22.24 C ATOM 2010 CE1 HIS A 127 20.124 -10.447 -1.531 1.00 2.53 C ATOM 2011 NE2 HIS A 127 19.385 -10.750 -0.485 1.00 4.11 N ATOM 0 H HIS A 127 18.644 -4.547 0.559 1.00 73.41 H new ATOM 0 HA HIS A 127 19.267 -6.264 -1.724 1.00 12.54 H new ATOM 0 HB2 HIS A 127 21.075 -6.853 -0.157 1.00 12.04 H new ATOM 0 HB3 HIS A 127 19.920 -7.065 1.143 1.00 12.04 H new ATOM 0 HD2 HIS A 127 18.669 -9.569 1.216 1.00 22.24 H new ATOM 0 HE1 HIS A 127 20.414 -11.126 -2.319 1.00 2.53 H new ATOM 0 HE2 HIS A 127 18.993 -11.670 -0.285 1.00 4.11 H new ATOM 2020 N ASP A 128 16.826 -6.732 -1.469 1.00 74.02 N ATOM 2021 CA ASP A 128 15.419 -7.176 -1.397 1.00 22.45 C ATOM 2022 C ASP A 128 15.326 -8.653 -0.979 1.00 61.23 C ATOM 2023 O ASP A 128 16.273 -9.425 -1.167 1.00 60.43 O ATOM 2024 CB ASP A 128 14.694 -6.938 -2.751 1.00 22.24 C ATOM 2025 CG ASP A 128 15.378 -7.639 -3.939 1.00 53.32 C ATOM 2026 OD1 ASP A 128 16.297 -7.040 -4.546 1.00 12.20 O ATOM 2027 OD2 ASP A 128 15.028 -8.798 -4.249 1.00 31.42 O ATOM 0 H ASP A 128 17.142 -6.528 -2.417 1.00 74.02 H new ATOM 0 HA ASP A 128 14.918 -6.580 -0.634 1.00 22.45 H new ATOM 0 HB2 ASP A 128 13.666 -7.292 -2.672 1.00 22.24 H new ATOM 0 HB3 ASP A 128 14.648 -5.867 -2.947 1.00 22.24 H new ATOM 2032 N HIS A 129 14.190 -9.021 -0.382 1.00 1.15 N ATOM 2033 CA HIS A 129 13.902 -10.407 0.032 1.00 72.02 C ATOM 2034 C HIS A 129 12.600 -10.860 -0.606 1.00 74.43 C ATOM 2035 O HIS A 129 12.577 -11.810 -1.391 1.00 22.44 O ATOM 2036 CB HIS A 129 13.811 -10.518 1.587 1.00 60.53 C ATOM 2037 CG HIS A 129 15.147 -10.555 2.285 1.00 3.43 C ATOM 2038 ND1 HIS A 129 15.596 -11.657 2.968 1.00 3.33 N ATOM 2039 CD2 HIS A 129 16.125 -9.629 2.398 1.00 21.22 C ATOM 2040 CE1 HIS A 129 16.785 -11.413 3.469 1.00 0.00 C ATOM 2041 NE2 HIS A 129 17.132 -10.184 3.141 1.00 62.14 N ATOM 0 H HIS A 129 13.437 -8.367 -0.169 1.00 1.15 H new ATOM 0 HA HIS A 129 14.715 -11.051 -0.301 1.00 72.02 H new ATOM 0 HB2 HIS A 129 13.239 -9.672 1.967 1.00 60.53 H new ATOM 0 HB3 HIS A 129 13.255 -11.420 1.843 1.00 60.53 H new ATOM 0 HD2 HIS A 129 16.114 -8.634 1.979 1.00 21.22 H new ATOM 0 HE1 HIS A 129 17.378 -12.102 4.051 1.00 0.00 H new ATOM 0 HE2 HIS A 129 18.005 -9.724 3.398 1.00 62.14 H new ATOM 2113 N ASP A 134 14.847 -3.884 -7.486 1.00 65.41 N ATOM 2114 CA ASP A 134 16.279 -3.532 -7.361 1.00 31.44 C ATOM 2115 C ASP A 134 16.539 -2.649 -6.099 1.00 51.11 C ATOM 2116 O ASP A 134 15.717 -1.773 -5.796 1.00 45.15 O ATOM 2117 CB ASP A 134 16.774 -2.793 -8.655 1.00 62.23 C ATOM 2118 CG ASP A 134 18.314 -2.651 -8.750 1.00 31.23 C ATOM 2119 OD1 ASP A 134 18.896 -1.771 -8.078 1.00 1.11 O ATOM 2120 OD2 ASP A 134 18.953 -3.441 -9.478 1.00 70.15 O ATOM 0 HA ASP A 134 16.843 -4.458 -7.244 1.00 31.44 H new ATOM 0 HB2 ASP A 134 16.415 -3.335 -9.530 1.00 62.23 H new ATOM 0 HB3 ASP A 134 16.325 -1.800 -8.688 1.00 62.23 H new ATOM 2125 N PRO A 135 17.660 -2.914 -5.331 1.00 11.22 N ATOM 2126 CA PRO A 135 18.121 -2.102 -4.172 1.00 24.24 C ATOM 2127 C PRO A 135 17.914 -0.570 -4.298 1.00 61.13 C ATOM 2128 O PRO A 135 17.488 0.071 -3.334 1.00 74.34 O ATOM 2129 CB PRO A 135 19.640 -2.461 -4.072 1.00 61.20 C ATOM 2130 CG PRO A 135 19.904 -3.488 -5.150 1.00 73.33 C ATOM 2131 CD PRO A 135 18.563 -4.088 -5.479 1.00 53.00 C ATOM 0 HA PRO A 135 17.533 -2.339 -3.285 1.00 24.24 H new ATOM 0 HB2 PRO A 135 20.259 -1.576 -4.218 1.00 61.20 H new ATOM 0 HB3 PRO A 135 19.881 -2.860 -3.087 1.00 61.20 H new ATOM 0 HG2 PRO A 135 20.352 -3.026 -6.029 1.00 73.33 H new ATOM 0 HG3 PRO A 135 20.600 -4.251 -4.801 1.00 73.33 H new ATOM 0 HD2 PRO A 135 18.536 -4.500 -6.488 1.00 53.00 H new ATOM 0 HD3 PRO A 135 18.298 -4.896 -4.797 1.00 53.00 H new ATOM 2139 N LYS A 136 18.194 -0.001 -5.484 1.00 71.12 N ATOM 2140 CA LYS A 136 18.121 1.467 -5.700 1.00 72.35 C ATOM 2141 C LYS A 136 16.665 1.990 -5.629 1.00 62.24 C ATOM 2142 O LYS A 136 16.432 3.131 -5.231 1.00 34.54 O ATOM 2143 CB LYS A 136 18.766 1.851 -7.056 1.00 23.42 C ATOM 2144 CG LYS A 136 17.995 1.363 -8.293 1.00 33.25 C ATOM 2145 CD LYS A 136 18.693 1.699 -9.623 1.00 43.23 C ATOM 2146 CE LYS A 136 20.042 0.986 -9.789 1.00 4.11 C ATOM 2147 NZ LYS A 136 20.733 1.413 -11.030 1.00 43.12 N ATOM 0 H LYS A 136 18.473 -0.529 -6.311 1.00 71.12 H new ATOM 0 HA LYS A 136 18.681 1.942 -4.894 1.00 72.35 H new ATOM 0 HB2 LYS A 136 18.857 2.936 -7.106 1.00 23.42 H new ATOM 0 HB3 LYS A 136 19.777 1.445 -7.091 1.00 23.42 H new ATOM 0 HG2 LYS A 136 17.860 0.283 -8.225 1.00 33.25 H new ATOM 0 HG3 LYS A 136 17.000 1.809 -8.291 1.00 33.25 H new ATOM 0 HD2 LYS A 136 18.039 1.424 -10.450 1.00 43.23 H new ATOM 0 HD3 LYS A 136 18.848 2.776 -9.684 1.00 43.23 H new ATOM 0 HE2 LYS A 136 20.675 1.198 -8.927 1.00 4.11 H new ATOM 0 HE3 LYS A 136 19.885 -0.092 -9.812 1.00 4.11 H new ATOM 0 HZ1 LYS A 136 21.641 0.912 -11.112 1.00 43.12 H new ATOM 0 HZ2 LYS A 136 20.139 1.188 -11.853 1.00 43.12 H new ATOM 0 HZ3 LYS A 136 20.905 2.438 -10.997 1.00 43.12 H new ATOM 2161 N TYR A 137 15.699 1.142 -6.021 1.00 42.43 N ATOM 2162 CA TYR A 137 14.262 1.482 -5.999 1.00 63.15 C ATOM 2163 C TYR A 137 13.645 1.164 -4.630 1.00 52.04 C ATOM 2164 O TYR A 137 12.568 1.684 -4.301 1.00 55.43 O ATOM 2165 CB TYR A 137 13.504 0.736 -7.118 1.00 4.45 C ATOM 2166 CG TYR A 137 14.007 1.060 -8.530 1.00 22.04 C ATOM 2167 CD1 TYR A 137 13.692 2.269 -9.143 1.00 50.40 C ATOM 2168 CD2 TYR A 137 14.814 0.172 -9.233 1.00 14.02 C ATOM 2169 CE1 TYR A 137 14.159 2.579 -10.401 1.00 33.23 C ATOM 2170 CE2 TYR A 137 15.291 0.478 -10.491 1.00 62.10 C ATOM 2171 CZ TYR A 137 14.956 1.683 -11.075 1.00 11.42 C ATOM 2172 OH TYR A 137 15.424 1.996 -12.334 1.00 13.33 O ATOM 0 H TYR A 137 15.890 0.200 -6.363 1.00 42.43 H new ATOM 0 HA TYR A 137 14.169 2.553 -6.176 1.00 63.15 H new ATOM 0 HB2 TYR A 137 13.591 -0.337 -6.949 1.00 4.45 H new ATOM 0 HB3 TYR A 137 12.445 0.984 -7.054 1.00 4.45 H new ATOM 0 HD1 TYR A 137 13.068 2.979 -8.621 1.00 50.40 H new ATOM 0 HD2 TYR A 137 15.073 -0.776 -8.785 1.00 14.02 H new ATOM 0 HE1 TYR A 137 13.900 3.523 -10.857 1.00 33.23 H new ATOM 0 HE2 TYR A 137 15.924 -0.222 -11.016 1.00 62.10 H new ATOM 0 HH TYR A 137 15.973 1.258 -12.672 1.00 13.33 H new ATOM 2182 N LEU A 138 14.302 0.267 -3.858 1.00 14.04 N ATOM 2183 CA LEU A 138 13.961 0.039 -2.442 1.00 3.20 C ATOM 2184 C LEU A 138 14.164 1.352 -1.667 1.00 50.10 C ATOM 2185 O LEU A 138 15.284 1.861 -1.624 1.00 13.20 O ATOM 2186 CB LEU A 138 14.850 -1.070 -1.802 1.00 32.21 C ATOM 2187 CG LEU A 138 14.739 -2.515 -2.374 1.00 41.24 C ATOM 2188 CD1 LEU A 138 15.734 -3.454 -1.648 1.00 44.42 C ATOM 2189 CD2 LEU A 138 13.291 -3.055 -2.289 1.00 1.21 C ATOM 0 H LEU A 138 15.072 -0.310 -4.197 1.00 14.04 H new ATOM 0 HA LEU A 138 12.923 -0.291 -2.391 1.00 3.20 H new ATOM 0 HB2 LEU A 138 15.890 -0.756 -1.888 1.00 32.21 H new ATOM 0 HB3 LEU A 138 14.617 -1.113 -0.738 1.00 32.21 H new ATOM 0 HG LEU A 138 15.002 -2.482 -3.431 1.00 41.24 H new ATOM 0 HD11 LEU A 138 15.648 -4.461 -2.056 1.00 44.42 H new ATOM 0 HD12 LEU A 138 16.751 -3.089 -1.794 1.00 44.42 H new ATOM 0 HD13 LEU A 138 15.505 -3.473 -0.583 1.00 44.42 H new ATOM 0 HD21 LEU A 138 13.255 -4.065 -2.698 1.00 1.21 H new ATOM 0 HD22 LEU A 138 12.970 -3.073 -1.247 1.00 1.21 H new ATOM 0 HD23 LEU A 138 12.627 -2.408 -2.862 1.00 1.21 H new ATOM 2201 N HIS A 139 13.089 1.899 -1.086 1.00 45.31 N ATOM 2202 CA HIS A 139 13.159 3.124 -0.272 1.00 33.22 C ATOM 2203 C HIS A 139 12.131 3.043 0.853 1.00 21.02 C ATOM 2204 O HIS A 139 10.976 2.702 0.597 1.00 43.33 O ATOM 2205 CB HIS A 139 12.928 4.385 -1.146 1.00 53.31 C ATOM 2206 CG HIS A 139 13.027 5.685 -0.384 1.00 5.42 C ATOM 2207 ND1 HIS A 139 11.936 6.462 -0.086 1.00 35.52 N ATOM 2208 CD2 HIS A 139 14.098 6.338 0.131 1.00 43.42 C ATOM 2209 CE1 HIS A 139 12.323 7.529 0.577 1.00 61.23 C ATOM 2210 NE2 HIS A 139 13.629 7.481 0.724 1.00 50.41 N ATOM 0 H HIS A 139 12.150 1.509 -1.165 1.00 45.31 H new ATOM 0 HA HIS A 139 14.155 3.207 0.162 1.00 33.22 H new ATOM 0 HB2 HIS A 139 13.659 4.393 -1.955 1.00 53.31 H new ATOM 0 HB3 HIS A 139 11.942 4.320 -1.607 1.00 53.31 H new ATOM 0 HD2 HIS A 139 15.128 6.017 0.083 1.00 43.42 H new ATOM 0 HE1 HIS A 139 11.676 8.314 0.940 1.00 61.23 H new ATOM 0 HE2 HIS A 139 14.199 8.180 1.201 1.00 50.41 H new ATOM 2219 N GLN A 140 12.559 3.351 2.098 1.00 55.41 N ATOM 2220 CA GLN A 140 11.659 3.368 3.266 1.00 63.23 C ATOM 2221 C GLN A 140 10.626 4.484 3.106 1.00 21.15 C ATOM 2222 O GLN A 140 10.952 5.554 2.582 1.00 60.15 O ATOM 2223 CB GLN A 140 12.425 3.575 4.604 1.00 22.52 C ATOM 2224 CG GLN A 140 13.528 2.525 4.904 1.00 12.03 C ATOM 2225 CD GLN A 140 14.942 2.929 4.489 1.00 34.23 C ATOM 2226 OE1 GLN A 140 15.151 3.702 3.551 1.00 31.51 O ATOM 2227 NE2 GLN A 140 15.925 2.363 5.166 1.00 35.14 N ATOM 0 H GLN A 140 13.526 3.591 2.317 1.00 55.41 H new ATOM 0 HA GLN A 140 11.171 2.394 3.308 1.00 63.23 H new ATOM 0 HB2 GLN A 140 12.881 4.565 4.593 1.00 22.52 H new ATOM 0 HB3 GLN A 140 11.704 3.565 5.422 1.00 22.52 H new ATOM 0 HG2 GLN A 140 13.527 2.316 5.974 1.00 12.03 H new ATOM 0 HG3 GLN A 140 13.270 1.595 4.397 1.00 12.03 H new ATOM 0 HE21 GLN A 140 15.714 1.728 5.936 1.00 35.14 H new ATOM 0 HE22 GLN A 140 16.895 2.561 4.918 1.00 35.14 H new ATOM 2236 N PHE A 141 9.387 4.218 3.543 1.00 23.42 N ATOM 2237 CA PHE A 141 8.302 5.204 3.508 1.00 12.53 C ATOM 2238 C PHE A 141 8.604 6.349 4.496 1.00 34.40 C ATOM 2239 O PHE A 141 8.302 6.244 5.698 1.00 72.44 O ATOM 2240 CB PHE A 141 6.950 4.531 3.847 1.00 13.34 C ATOM 2241 CG PHE A 141 6.597 3.318 2.980 1.00 54.22 C ATOM 2242 CD1 PHE A 141 6.301 3.464 1.630 1.00 23.53 C ATOM 2243 CD2 PHE A 141 6.537 2.036 3.529 1.00 13.12 C ATOM 2244 CE1 PHE A 141 5.966 2.373 0.854 1.00 14.42 C ATOM 2245 CE2 PHE A 141 6.201 0.947 2.755 1.00 54.12 C ATOM 2246 CZ PHE A 141 5.910 1.113 1.415 1.00 51.22 C ATOM 0 H PHE A 141 9.111 3.315 3.929 1.00 23.42 H new ATOM 0 HA PHE A 141 8.231 5.619 2.503 1.00 12.53 H new ATOM 0 HB2 PHE A 141 6.968 4.220 4.891 1.00 13.34 H new ATOM 0 HB3 PHE A 141 6.157 5.272 3.749 1.00 13.34 H new ATOM 0 HD1 PHE A 141 6.334 4.446 1.181 1.00 23.53 H new ATOM 0 HD2 PHE A 141 6.757 1.896 4.577 1.00 13.12 H new ATOM 0 HE1 PHE A 141 5.747 2.505 -0.195 1.00 14.42 H new ATOM 0 HE2 PHE A 141 6.165 -0.038 3.197 1.00 54.12 H new ATOM 0 HZ PHE A 141 5.640 0.261 0.809 1.00 51.22 H new ATOM 2256 N GLU A 142 9.285 7.402 3.998 1.00 11.24 N ATOM 2257 CA GLU A 142 9.566 8.604 4.789 1.00 72.41 C ATOM 2258 C GLU A 142 8.297 9.461 4.842 1.00 64.55 C ATOM 2259 O GLU A 142 8.008 10.246 3.934 1.00 70.13 O ATOM 2260 CB GLU A 142 10.775 9.384 4.211 1.00 71.51 C ATOM 2261 CG GLU A 142 12.100 8.594 4.228 1.00 43.41 C ATOM 2262 CD GLU A 142 13.308 9.440 3.786 1.00 12.11 C ATOM 2263 OE1 GLU A 142 13.380 9.799 2.595 1.00 45.34 O ATOM 2264 OE2 GLU A 142 14.196 9.735 4.619 1.00 12.43 O ATOM 0 H GLU A 142 9.649 7.437 3.046 1.00 11.24 H new ATOM 0 HA GLU A 142 9.844 8.323 5.805 1.00 72.41 H new ATOM 0 HB2 GLU A 142 10.550 9.673 3.184 1.00 71.51 H new ATOM 0 HB3 GLU A 142 10.906 10.304 4.780 1.00 71.51 H new ATOM 0 HG2 GLU A 142 12.278 8.214 5.234 1.00 43.41 H new ATOM 0 HG3 GLU A 142 12.009 7.728 3.572 1.00 43.41 H new ATOM 2271 N GLY A 143 7.533 9.255 5.911 1.00 41.30 N ATOM 2272 CA GLY A 143 6.227 9.852 6.078 1.00 21.35 C ATOM 2273 C GLY A 143 5.377 8.956 6.947 1.00 74.20 C ATOM 2274 O GLY A 143 4.827 7.961 6.461 1.00 73.11 O ATOM 0 H GLY A 143 7.814 8.660 6.691 1.00 41.30 H new ATOM 0 HA2 GLY A 143 6.320 10.838 6.534 1.00 21.35 H new ATOM 0 HA3 GLY A 143 5.752 9.993 5.107 1.00 21.35 H new ATOM 2278 N GLU A 144 5.308 9.298 8.246 1.00 41.24 N ATOM 2279 CA GLU A 144 4.554 8.530 9.263 1.00 60.42 C ATOM 2280 C GLU A 144 3.042 8.532 8.962 1.00 2.35 C ATOM 2281 O GLU A 144 2.306 7.669 9.448 1.00 34.25 O ATOM 2282 CB GLU A 144 4.838 9.118 10.665 1.00 74.22 C ATOM 2283 CG GLU A 144 6.330 9.109 11.061 1.00 73.01 C ATOM 2284 CD GLU A 144 6.615 9.902 12.349 1.00 42.42 C ATOM 2285 OE1 GLU A 144 6.867 11.127 12.264 1.00 42.21 O ATOM 2286 OE2 GLU A 144 6.569 9.316 13.451 1.00 35.20 O ATOM 0 H GLU A 144 5.776 10.121 8.626 1.00 41.24 H new ATOM 0 HA GLU A 144 4.886 7.492 9.235 1.00 60.42 H new ATOM 0 HB2 GLU A 144 4.470 10.144 10.699 1.00 74.22 H new ATOM 0 HB3 GLU A 144 4.273 8.552 11.406 1.00 74.22 H new ATOM 0 HG2 GLU A 144 6.658 8.078 11.195 1.00 73.01 H new ATOM 0 HG3 GLU A 144 6.919 9.528 10.245 1.00 73.01 H new ATOM 2293 N THR A 145 2.599 9.525 8.173 1.00 13.43 N ATOM 2294 CA THR A 145 1.254 9.559 7.622 1.00 10.45 C ATOM 2295 C THR A 145 1.173 8.577 6.434 1.00 1.41 C ATOM 2296 O THR A 145 1.570 8.900 5.304 1.00 64.21 O ATOM 2297 CB THR A 145 0.851 11.006 7.183 1.00 21.11 C ATOM 2298 OG1 THR A 145 1.049 11.914 8.282 1.00 72.31 O ATOM 2299 CG2 THR A 145 -0.618 11.082 6.725 1.00 1.54 C ATOM 0 H THR A 145 3.173 10.324 7.905 1.00 13.43 H new ATOM 0 HA THR A 145 0.547 9.254 8.394 1.00 10.45 H new ATOM 0 HB THR A 145 1.482 11.282 6.339 1.00 21.11 H new ATOM 0 HG1 THR A 145 0.798 12.820 8.007 1.00 72.31 H new ATOM 0 HG21 THR A 145 -0.855 12.104 6.429 1.00 1.54 H new ATOM 0 HG22 THR A 145 -0.770 10.415 5.877 1.00 1.54 H new ATOM 0 HG23 THR A 145 -1.271 10.781 7.545 1.00 1.54 H new ATOM 2307 N PHE A 146 0.721 7.352 6.740 1.00 40.20 N ATOM 2308 CA PHE A 146 0.509 6.284 5.760 1.00 33.41 C ATOM 2309 C PHE A 146 -0.920 6.339 5.203 1.00 13.14 C ATOM 2310 O PHE A 146 -1.864 6.710 5.914 1.00 65.05 O ATOM 2311 CB PHE A 146 0.759 4.893 6.412 1.00 65.42 C ATOM 2312 CG PHE A 146 2.241 4.526 6.574 1.00 72.33 C ATOM 2313 CD1 PHE A 146 2.999 4.987 7.652 1.00 64.52 C ATOM 2314 CD2 PHE A 146 2.865 3.694 5.651 1.00 65.13 C ATOM 2315 CE1 PHE A 146 4.334 4.634 7.788 1.00 12.42 C ATOM 2316 CE2 PHE A 146 4.188 3.342 5.788 1.00 72.40 C ATOM 2317 CZ PHE A 146 4.925 3.801 6.856 1.00 24.22 C ATOM 0 H PHE A 146 0.489 7.074 7.694 1.00 40.20 H new ATOM 0 HA PHE A 146 1.215 6.429 4.942 1.00 33.41 H new ATOM 0 HB2 PHE A 146 0.283 4.874 7.392 1.00 65.42 H new ATOM 0 HB3 PHE A 146 0.272 4.129 5.807 1.00 65.42 H new ATOM 0 HD1 PHE A 146 2.540 5.627 8.390 1.00 64.52 H new ATOM 0 HD2 PHE A 146 2.301 3.317 4.811 1.00 65.13 H new ATOM 0 HE1 PHE A 146 4.911 5.009 8.621 1.00 12.42 H new ATOM 0 HE2 PHE A 146 4.651 2.701 5.052 1.00 72.40 H new ATOM 0 HZ PHE A 146 5.960 3.512 6.965 1.00 24.22 H new ATOM 2327 N TYR A 147 -1.049 5.976 3.921 1.00 41.20 N ATOM 2328 CA TYR A 147 -2.333 5.790 3.233 1.00 15.10 C ATOM 2329 C TYR A 147 -2.446 4.329 2.785 1.00 35.22 C ATOM 2330 O TYR A 147 -1.468 3.733 2.317 1.00 3.45 O ATOM 2331 CB TYR A 147 -2.466 6.750 2.021 1.00 65.34 C ATOM 2332 CG TYR A 147 -2.705 8.220 2.413 1.00 45.12 C ATOM 2333 CD1 TYR A 147 -1.687 8.997 2.971 1.00 51.51 C ATOM 2334 CD2 TYR A 147 -3.951 8.826 2.229 1.00 53.03 C ATOM 2335 CE1 TYR A 147 -1.903 10.309 3.322 1.00 65.44 C ATOM 2336 CE2 TYR A 147 -4.163 10.146 2.583 1.00 63.30 C ATOM 2337 CZ TYR A 147 -3.138 10.881 3.127 1.00 33.04 C ATOM 2338 OH TYR A 147 -3.353 12.199 3.474 1.00 0.14 O ATOM 0 H TYR A 147 -0.245 5.799 3.319 1.00 41.20 H new ATOM 0 HA TYR A 147 -3.145 6.027 3.920 1.00 15.10 H new ATOM 0 HB2 TYR A 147 -1.559 6.687 1.419 1.00 65.34 H new ATOM 0 HB3 TYR A 147 -3.290 6.413 1.392 1.00 65.34 H new ATOM 0 HD1 TYR A 147 -0.712 8.559 3.130 1.00 51.51 H new ATOM 0 HD2 TYR A 147 -4.762 8.254 1.803 1.00 53.03 H new ATOM 0 HE1 TYR A 147 -1.101 10.891 3.752 1.00 65.44 H new ATOM 0 HE2 TYR A 147 -5.132 10.598 2.432 1.00 63.30 H new ATOM 0 HH TYR A 147 -2.516 12.593 3.798 1.00 0.14 H new ATOM 2348 N ILE A 148 -3.641 3.755 2.969 1.00 2.50 N ATOM 2349 CA ILE A 148 -3.943 2.360 2.627 1.00 41.02 C ATOM 2350 C ILE A 148 -5.117 2.330 1.633 1.00 63.23 C ATOM 2351 O ILE A 148 -6.262 2.640 1.993 1.00 75.23 O ATOM 2352 CB ILE A 148 -4.265 1.513 3.920 1.00 60.33 C ATOM 2353 CG1 ILE A 148 -3.019 1.459 4.872 1.00 43.12 C ATOM 2354 CG2 ILE A 148 -4.745 0.089 3.551 1.00 22.21 C ATOM 2355 CD1 ILE A 148 -3.197 0.630 6.134 1.00 72.15 C ATOM 0 H ILE A 148 -4.437 4.254 3.366 1.00 2.50 H new ATOM 0 HA ILE A 148 -3.068 1.907 2.161 1.00 41.02 H new ATOM 0 HB ILE A 148 -5.078 2.007 4.452 1.00 60.33 H new ATOM 0 HG12 ILE A 148 -2.173 1.061 4.312 1.00 43.12 H new ATOM 0 HG13 ILE A 148 -2.759 2.478 5.161 1.00 43.12 H new ATOM 0 HG21 ILE A 148 -4.959 -0.470 4.462 1.00 22.21 H new ATOM 0 HG22 ILE A 148 -5.649 0.155 2.945 1.00 22.21 H new ATOM 0 HG23 ILE A 148 -3.966 -0.423 2.986 1.00 22.21 H new ATOM 0 HD11 ILE A 148 -2.279 0.659 6.721 1.00 72.15 H new ATOM 0 HD12 ILE A 148 -4.018 1.037 6.724 1.00 72.15 H new ATOM 0 HD13 ILE A 148 -3.422 -0.401 5.863 1.00 72.15 H new ATOM 2367 N ILE A 149 -4.804 1.999 0.371 1.00 33.35 N ATOM 2368 CA ILE A 149 -5.786 1.922 -0.714 1.00 24.01 C ATOM 2369 C ILE A 149 -6.259 0.471 -0.846 1.00 63.43 C ATOM 2370 O ILE A 149 -5.499 -0.391 -1.309 1.00 5.32 O ATOM 2371 CB ILE A 149 -5.176 2.411 -2.086 1.00 13.33 C ATOM 2372 CG1 ILE A 149 -4.322 3.708 -1.902 1.00 32.43 C ATOM 2373 CG2 ILE A 149 -6.286 2.614 -3.150 1.00 15.34 C ATOM 2374 CD1 ILE A 149 -5.022 4.868 -1.212 1.00 30.32 C ATOM 0 H ILE A 149 -3.854 1.776 0.076 1.00 33.35 H new ATOM 0 HA ILE A 149 -6.623 2.577 -0.474 1.00 24.01 H new ATOM 0 HB ILE A 149 -4.508 1.629 -2.447 1.00 13.33 H new ATOM 0 HG12 ILE A 149 -3.429 3.455 -1.330 1.00 32.43 H new ATOM 0 HG13 ILE A 149 -3.987 4.042 -2.884 1.00 32.43 H new ATOM 0 HG21 ILE A 149 -5.837 2.951 -4.084 1.00 15.34 H new ATOM 0 HG22 ILE A 149 -6.807 1.671 -3.317 1.00 15.34 H new ATOM 0 HG23 ILE A 149 -6.995 3.363 -2.798 1.00 15.34 H new ATOM 0 HD11 ILE A 149 -4.338 5.713 -1.138 1.00 30.32 H new ATOM 0 HD12 ILE A 149 -5.898 5.160 -1.790 1.00 30.32 H new ATOM 0 HD13 ILE A 149 -5.332 4.563 -0.212 1.00 30.32 H new ATOM 2386 N GLU A 150 -7.495 0.205 -0.401 1.00 14.55 N ATOM 2387 CA GLU A 150 -8.096 -1.130 -0.452 1.00 5.24 C ATOM 2388 C GLU A 150 -8.327 -1.585 -1.906 1.00 52.44 C ATOM 2389 O GLU A 150 -9.010 -0.910 -2.689 1.00 40.14 O ATOM 2390 CB GLU A 150 -9.423 -1.172 0.351 1.00 13.40 C ATOM 2391 CG GLU A 150 -10.158 -2.533 0.266 1.00 20.34 C ATOM 2392 CD GLU A 150 -11.430 -2.625 1.117 1.00 44.44 C ATOM 2393 OE1 GLU A 150 -12.361 -1.821 0.908 1.00 2.34 O ATOM 2394 OE2 GLU A 150 -11.524 -3.529 1.969 1.00 21.52 O ATOM 0 H GLU A 150 -8.106 0.914 0.005 1.00 14.55 H new ATOM 0 HA GLU A 150 -7.394 -1.825 0.010 1.00 5.24 H new ATOM 0 HB2 GLU A 150 -9.212 -0.947 1.397 1.00 13.40 H new ATOM 0 HB3 GLU A 150 -10.085 -0.388 -0.016 1.00 13.40 H new ATOM 0 HG2 GLU A 150 -10.418 -2.726 -0.775 1.00 20.34 H new ATOM 0 HG3 GLU A 150 -9.472 -3.322 0.575 1.00 20.34 H new ATOM 2401 N GLN A 151 -7.741 -2.741 -2.238 1.00 53.20 N ATOM 2402 CA GLN A 151 -7.864 -3.381 -3.550 1.00 34.23 C ATOM 2403 C GLN A 151 -8.699 -4.666 -3.405 1.00 23.02 C ATOM 2404 O GLN A 151 -8.200 -5.683 -2.925 1.00 10.52 O ATOM 2405 CB GLN A 151 -6.451 -3.729 -4.100 1.00 60.12 C ATOM 2406 CG GLN A 151 -5.440 -2.565 -4.105 1.00 32.24 C ATOM 2407 CD GLN A 151 -5.774 -1.421 -5.072 1.00 3.15 C ATOM 2408 OE1 GLN A 151 -6.382 -1.626 -6.123 1.00 52.32 O ATOM 2409 NE2 GLN A 151 -5.354 -0.208 -4.729 1.00 11.23 N ATOM 0 H GLN A 151 -7.157 -3.267 -1.588 1.00 53.20 H new ATOM 0 HA GLN A 151 -8.356 -2.701 -4.246 1.00 34.23 H new ATOM 0 HB2 GLN A 151 -6.038 -4.544 -3.505 1.00 60.12 H new ATOM 0 HB3 GLN A 151 -6.557 -4.100 -5.119 1.00 60.12 H new ATOM 0 HG2 GLN A 151 -5.371 -2.159 -3.096 1.00 32.24 H new ATOM 0 HG3 GLN A 151 -4.456 -2.959 -4.358 1.00 32.24 H new ATOM 0 HE21 GLN A 151 -4.853 -0.071 -3.851 1.00 11.23 H new ATOM 0 HE22 GLN A 151 -5.533 0.586 -5.343 1.00 11.23 H new ATOM 2418 N ARG A 152 -9.973 -4.600 -3.793 1.00 63.01 N ATOM 2419 CA ARG A 152 -10.850 -5.785 -3.856 1.00 50.11 C ATOM 2420 C ARG A 152 -10.682 -6.485 -5.222 1.00 31.32 C ATOM 2421 O ARG A 152 -10.149 -5.888 -6.166 1.00 12.34 O ATOM 2422 CB ARG A 152 -12.325 -5.357 -3.622 1.00 12.24 C ATOM 2423 CG ARG A 152 -12.628 -4.889 -2.176 1.00 15.20 C ATOM 2424 CD ARG A 152 -12.766 -6.055 -1.184 1.00 74.20 C ATOM 2425 NE ARG A 152 -12.934 -5.577 0.202 1.00 12.54 N ATOM 2426 CZ ARG A 152 -13.290 -6.329 1.254 1.00 11.42 C ATOM 2427 NH1 ARG A 152 -13.529 -7.633 1.121 1.00 62.53 N ATOM 2428 NH2 ARG A 152 -13.367 -5.770 2.449 1.00 33.51 N ATOM 0 H ARG A 152 -10.430 -3.732 -4.072 1.00 63.01 H new ATOM 0 HA ARG A 152 -10.572 -6.492 -3.074 1.00 50.11 H new ATOM 0 HB2 ARG A 152 -12.572 -4.550 -4.312 1.00 12.24 H new ATOM 0 HB3 ARG A 152 -12.978 -6.195 -3.865 1.00 12.24 H new ATOM 0 HG2 ARG A 152 -11.831 -4.226 -1.840 1.00 15.20 H new ATOM 0 HG3 ARG A 152 -13.549 -4.307 -2.174 1.00 15.20 H new ATOM 0 HD2 ARG A 152 -13.621 -6.670 -1.463 1.00 74.20 H new ATOM 0 HD3 ARG A 152 -11.883 -6.691 -1.245 1.00 74.20 H new ATOM 0 HE ARG A 152 -12.764 -4.586 0.375 1.00 12.54 H new ATOM 0 HH11 ARG A 152 -13.442 -8.077 0.207 1.00 62.53 H new ATOM 0 HH12 ARG A 152 -13.799 -8.188 1.934 1.00 62.53 H new ATOM 0 HH21 ARG A 152 -13.157 -4.778 2.563 1.00 33.51 H new ATOM 0 HH22 ARG A 152 -13.637 -6.330 3.258 1.00 33.51 H new ATOM 2442 N LEU A 153 -11.153 -7.749 -5.310 1.00 64.23 N ATOM 2443 CA LEU A 153 -11.088 -8.560 -6.551 1.00 13.55 C ATOM 2444 C LEU A 153 -11.889 -7.914 -7.701 1.00 52.50 C ATOM 2445 O LEU A 153 -12.833 -7.160 -7.446 1.00 63.51 O ATOM 2446 CB LEU A 153 -11.603 -10.001 -6.285 1.00 24.12 C ATOM 2447 CG LEU A 153 -10.737 -10.876 -5.323 1.00 32.31 C ATOM 2448 CD1 LEU A 153 -11.386 -12.263 -5.115 1.00 30.12 C ATOM 2449 CD2 LEU A 153 -9.282 -11.014 -5.849 1.00 12.13 C ATOM 0 H LEU A 153 -11.588 -8.236 -4.527 1.00 64.23 H new ATOM 0 HA LEU A 153 -10.043 -8.604 -6.858 1.00 13.55 H new ATOM 0 HB2 LEU A 153 -12.610 -9.934 -5.874 1.00 24.12 H new ATOM 0 HB3 LEU A 153 -11.682 -10.519 -7.241 1.00 24.12 H new ATOM 0 HG LEU A 153 -10.693 -10.374 -4.357 1.00 32.31 H new ATOM 0 HD11 LEU A 153 -10.767 -12.857 -4.442 1.00 30.12 H new ATOM 0 HD12 LEU A 153 -12.378 -12.139 -4.681 1.00 30.12 H new ATOM 0 HD13 LEU A 153 -11.471 -12.773 -6.075 1.00 30.12 H new ATOM 0 HD21 LEU A 153 -8.703 -11.628 -5.159 1.00 12.13 H new ATOM 0 HD22 LEU A 153 -9.294 -11.485 -6.832 1.00 12.13 H new ATOM 0 HD23 LEU A 153 -8.827 -10.026 -5.925 1.00 12.13 H new