USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1012 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= 0 K(o=0,f=0.52) USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 113 MET CE :methyl 171:sc= -0.054 (180deg=-0.207) USER MOD Set 3.1: A 47 HIS : no HE2:sc= 0.0243 X(o=0.024,f=-0.13) USER MOD Set 3.2: A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 32:sc= 0.22 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 4:sc= 0.276 USER MOD Single : A 8 GLN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : A 10 GLN : amide:sc= 0.475 K(o=0.48,f=-0.043) USER MOD Single : A 11 SER OG : rot 36:sc= 0.283 USER MOD Single : A 12 GLN : amide:sc= -0.376 K(o=-0.38,f=-0.89) USER MOD Single : A 14 ASN : amide:sc= 0.144 K(o=0.14,f=-1) USER MOD Single : A 19 MET CE :methyl -172:sc= 0 (180deg=-0.0576) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.386 K(o=0.39,f=-0.18) USER MOD Single : A 31 LYS NZ :NH3+ 144:sc= 0.305 (180deg=-0.123) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= 0.611 (180deg=0.328) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.288 K(o=0.29,f=-1.3!) USER MOD Single : A 44 ASN : amide:sc= -0.0367 X(o=-0.037,f=-0.51) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= 0.188 (180deg=0.0796) USER MOD Single : A 49 LYS NZ :NH3+ -149:sc= 0.576 (180deg=-0.802) USER MOD Single : A 51 THR OG1 : rot 50:sc= 0.736 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00729 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.016) USER MOD Single : A 61 ASN : amide:sc= -0.397 K(o=-0.4,f=-2.5!) USER MOD Single : A 69 CYS SG : rot -140:sc= -0.0263 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 174:sc= 0 (180deg=-0.0202) USER MOD Single : A 75 THR OG1 : rot -18:sc= 0.18 USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= 0.582 (180deg=-0.0581) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 140:sc= 1.13 USER MOD Single : A 84 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 89 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.18) USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= 0.0681 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 75:sc= 0.263 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -121:sc= -0.046 (180deg=-0.884) USER MOD Single : A 105 ASN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -161:sc= 1.05 (180deg=0.808) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 3 5.341 -12.207 -3.809 1.00 51.23 N ATOM 158 CA PHE A 3 5.432 -10.822 -3.337 1.00 34.33 C ATOM 159 C PHE A 3 6.765 -10.465 -2.652 1.00 42.54 C ATOM 160 O PHE A 3 7.040 -9.281 -2.490 1.00 61.34 O ATOM 161 CB PHE A 3 4.231 -10.501 -2.427 1.00 42.50 C ATOM 162 CG PHE A 3 2.875 -10.425 -3.105 1.00 12.51 C ATOM 163 CD1 PHE A 3 2.456 -9.227 -3.723 1.00 54.13 C ATOM 164 CD2 PHE A 3 2.066 -11.576 -3.219 1.00 61.21 C ATOM 165 CE1 PHE A 3 1.219 -9.168 -4.351 1.00 50.13 C ATOM 166 CE2 PHE A 3 0.832 -11.496 -3.850 1.00 20.11 C ATOM 167 CZ PHE A 3 0.404 -10.293 -4.394 1.00 13.10 C ATOM 0 HA PHE A 3 5.403 -10.193 -4.227 1.00 34.33 H new ATOM 0 HB2 PHE A 3 4.181 -11.260 -1.646 1.00 42.50 H new ATOM 0 HB3 PHE A 3 4.421 -9.548 -1.934 1.00 42.50 H new ATOM 0 HD1 PHE A 3 3.097 -8.358 -3.707 1.00 54.13 H new ATOM 0 HD2 PHE A 3 2.407 -12.518 -2.816 1.00 61.21 H new ATOM 0 HE1 PHE A 3 0.890 -8.246 -4.807 1.00 50.13 H new ATOM 0 HE2 PHE A 3 0.204 -12.372 -3.918 1.00 20.11 H new ATOM 0 HZ PHE A 3 -0.571 -10.231 -4.855 1.00 13.10 H new ATOM 177 N SER A 4 7.576 -11.470 -2.283 1.00 10.11 N ATOM 178 CA SER A 4 8.931 -11.305 -1.762 1.00 51.31 C ATOM 179 C SER A 4 9.903 -10.737 -2.821 1.00 52.21 C ATOM 180 O SER A 4 10.165 -11.403 -3.824 1.00 3.23 O ATOM 181 CB SER A 4 9.389 -12.652 -1.161 1.00 73.10 C ATOM 182 OG SER A 4 9.457 -13.681 -2.132 1.00 35.45 O ATOM 0 H SER A 4 7.292 -12.448 -2.343 1.00 10.11 H new ATOM 0 HA SER A 4 8.933 -10.556 -0.970 1.00 51.31 H new ATOM 0 HB2 SER A 4 10.368 -12.527 -0.699 1.00 73.10 H new ATOM 0 HB3 SER A 4 8.699 -12.947 -0.370 1.00 73.10 H new ATOM 0 HG SER A 4 9.705 -13.297 -2.999 1.00 35.45 H new ATOM 188 N GLY A 5 10.424 -9.526 -2.569 1.00 0.50 N ATOM 189 CA GLY A 5 11.373 -8.853 -3.456 1.00 50.05 C ATOM 190 C GLY A 5 11.525 -7.379 -3.053 1.00 70.14 C ATOM 191 O GLY A 5 10.797 -6.873 -2.198 1.00 2.24 O ATOM 0 H GLY A 5 10.193 -8.986 -1.735 1.00 0.50 H new ATOM 0 HA2 GLY A 5 12.341 -9.352 -3.410 1.00 50.05 H new ATOM 0 HA3 GLY A 5 11.028 -8.921 -4.488 1.00 50.05 H new ATOM 195 N LYS A 6 12.473 -6.683 -3.704 1.00 53.11 N ATOM 196 CA LYS A 6 12.663 -5.236 -3.574 1.00 33.32 C ATOM 197 C LYS A 6 12.428 -4.575 -4.940 1.00 2.31 C ATOM 198 O LYS A 6 12.749 -5.165 -5.971 1.00 51.24 O ATOM 199 CB LYS A 6 14.075 -4.908 -3.039 1.00 34.34 C ATOM 200 CG LYS A 6 14.118 -3.548 -2.307 1.00 41.11 C ATOM 201 CD LYS A 6 15.353 -2.673 -2.559 1.00 73.43 C ATOM 202 CE LYS A 6 16.698 -3.321 -2.212 1.00 73.45 C ATOM 203 NZ LYS A 6 16.808 -3.581 -0.767 1.00 41.11 N1+ ATOM 0 H LYS A 6 13.136 -7.120 -4.344 1.00 53.11 H new ATOM 0 HA LYS A 6 11.945 -4.843 -2.854 1.00 33.32 H new ATOM 0 HB2 LYS A 6 14.396 -5.696 -2.358 1.00 34.34 H new ATOM 0 HB3 LYS A 6 14.782 -4.895 -3.868 1.00 34.34 H new ATOM 0 HG2 LYS A 6 13.233 -2.979 -2.592 1.00 41.11 H new ATOM 0 HG3 LYS A 6 14.045 -3.735 -1.236 1.00 41.11 H new ATOM 0 HD2 LYS A 6 15.367 -2.387 -3.611 1.00 73.43 H new ATOM 0 HD3 LYS A 6 15.251 -1.755 -1.981 1.00 73.43 H new ATOM 0 HE2 LYS A 6 16.806 -4.256 -2.761 1.00 73.45 H new ATOM 0 HE3 LYS A 6 17.511 -2.669 -2.530 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 17.728 -4.020 -0.562 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 16.728 -2.685 -0.246 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 16.045 -4.223 -0.471 1.00 41.11 H new ATOM 217 N TYR A 7 11.864 -3.361 -4.897 1.00 32.11 N ATOM 218 CA TYR A 7 11.328 -2.597 -6.021 1.00 30.14 C ATOM 219 C TYR A 7 11.770 -1.127 -5.935 1.00 32.15 C ATOM 220 O TYR A 7 12.397 -0.716 -4.961 1.00 20.05 O ATOM 221 CB TYR A 7 9.784 -2.708 -6.039 1.00 54.11 C ATOM 222 CG TYR A 7 9.248 -4.105 -5.788 1.00 71.04 C ATOM 223 CD1 TYR A 7 8.897 -4.498 -4.481 1.00 22.53 C ATOM 224 CD2 TYR A 7 9.154 -5.030 -6.845 1.00 32.01 C ATOM 225 CE1 TYR A 7 8.486 -5.818 -4.232 1.00 51.11 C ATOM 226 CE2 TYR A 7 8.730 -6.350 -6.596 1.00 13.51 C ATOM 227 CZ TYR A 7 8.405 -6.748 -5.286 1.00 23.13 C ATOM 228 OH TYR A 7 8.012 -8.029 -5.038 1.00 1.12 O ATOM 0 H TYR A 7 11.766 -2.857 -4.016 1.00 32.11 H new ATOM 0 HA TYR A 7 11.720 -3.010 -6.951 1.00 30.14 H new ATOM 0 HB2 TYR A 7 9.376 -2.035 -5.285 1.00 54.11 H new ATOM 0 HB3 TYR A 7 9.419 -2.361 -7.006 1.00 54.11 H new ATOM 0 HD1 TYR A 7 8.944 -3.785 -3.671 1.00 22.53 H new ATOM 0 HD2 TYR A 7 9.408 -4.727 -7.850 1.00 32.01 H new ATOM 0 HE1 TYR A 7 8.231 -6.121 -3.227 1.00 51.11 H new ATOM 0 HE2 TYR A 7 8.654 -7.056 -7.410 1.00 13.51 H new ATOM 0 HH TYR A 7 7.766 -8.119 -4.094 1.00 1.12 H new ATOM 238 N GLN A 8 11.462 -0.369 -6.992 1.00 12.25 N ATOM 239 CA GLN A 8 12.053 0.933 -7.277 1.00 23.23 C ATOM 240 C GLN A 8 11.030 1.756 -8.062 1.00 74.20 C ATOM 241 O GLN A 8 10.645 1.316 -9.144 1.00 23.14 O ATOM 242 CB GLN A 8 13.354 0.651 -8.061 1.00 44.44 C ATOM 243 CG GLN A 8 14.086 1.853 -8.686 1.00 54.44 C ATOM 244 CD GLN A 8 15.324 1.424 -9.487 1.00 43.43 C ATOM 245 OE1 GLN A 8 16.352 2.092 -9.438 1.00 25.13 O ATOM 246 NE2 GLN A 8 15.244 0.320 -10.238 1.00 32.20 N ATOM 0 H GLN A 8 10.775 -0.656 -7.689 1.00 12.25 H new ATOM 0 HA GLN A 8 12.303 1.512 -6.388 1.00 23.23 H new ATOM 0 HB2 GLN A 8 14.049 0.148 -7.389 1.00 44.44 H new ATOM 0 HB3 GLN A 8 13.119 -0.051 -8.861 1.00 44.44 H new ATOM 0 HG2 GLN A 8 13.401 2.394 -9.340 1.00 54.44 H new ATOM 0 HG3 GLN A 8 14.386 2.544 -7.898 1.00 54.44 H new ATOM 0 HE21 GLN A 8 14.378 -0.219 -10.262 1.00 32.20 H new ATOM 0 HE22 GLN A 8 16.049 0.017 -10.786 1.00 32.20 H new ATOM 255 N LEU A 9 10.610 2.912 -7.513 1.00 12.01 N ATOM 256 CA LEU A 9 9.591 3.798 -8.092 1.00 44.41 C ATOM 257 C LEU A 9 9.965 4.265 -9.508 1.00 23.42 C ATOM 258 O LEU A 9 11.033 4.848 -9.692 1.00 10.44 O ATOM 259 CB LEU A 9 9.334 4.993 -7.139 1.00 53.02 C ATOM 260 CG LEU A 9 8.204 5.965 -7.562 1.00 23.31 C ATOM 261 CD1 LEU A 9 6.837 5.269 -7.678 1.00 2.25 C ATOM 262 CD2 LEU A 9 8.148 7.194 -6.628 1.00 32.31 C ATOM 0 H LEU A 9 10.983 3.262 -6.630 1.00 12.01 H new ATOM 0 HA LEU A 9 8.666 3.232 -8.197 1.00 44.41 H new ATOM 0 HB2 LEU A 9 9.097 4.600 -6.150 1.00 53.02 H new ATOM 0 HB3 LEU A 9 10.259 5.562 -7.043 1.00 53.02 H new ATOM 0 HG LEU A 9 8.448 6.320 -8.563 1.00 23.31 H new ATOM 0 HD11 LEU A 9 6.082 5.997 -7.977 1.00 2.25 H new ATOM 0 HD12 LEU A 9 6.894 4.477 -8.425 1.00 2.25 H new ATOM 0 HD13 LEU A 9 6.565 4.839 -6.714 1.00 2.25 H new ATOM 0 HD21 LEU A 9 7.346 7.859 -6.949 1.00 32.31 H new ATOM 0 HD22 LEU A 9 7.960 6.866 -5.606 1.00 32.31 H new ATOM 0 HD23 LEU A 9 9.098 7.726 -6.669 1.00 32.31 H new ATOM 274 N GLN A 10 9.070 3.983 -10.465 1.00 4.02 N ATOM 275 CA GLN A 10 9.216 4.344 -11.871 1.00 40.12 C ATOM 276 C GLN A 10 8.393 5.596 -12.190 1.00 25.41 C ATOM 277 O GLN A 10 8.927 6.523 -12.798 1.00 51.02 O ATOM 278 CB GLN A 10 8.763 3.163 -12.765 1.00 23.21 C ATOM 279 CG GLN A 10 9.567 1.861 -12.585 1.00 11.14 C ATOM 280 CD GLN A 10 11.061 2.028 -12.865 1.00 73.23 C ATOM 281 OE1 GLN A 10 11.458 2.256 -14.005 1.00 22.21 O ATOM 282 NE2 GLN A 10 11.896 1.907 -11.831 1.00 4.53 N ATOM 0 H GLN A 10 8.202 3.483 -10.271 1.00 4.02 H new ATOM 0 HA GLN A 10 10.265 4.561 -12.072 1.00 40.12 H new ATOM 0 HB2 GLN A 10 7.713 2.955 -12.560 1.00 23.21 H new ATOM 0 HB3 GLN A 10 8.829 3.471 -13.808 1.00 23.21 H new ATOM 0 HG2 GLN A 10 9.434 1.498 -11.566 1.00 11.14 H new ATOM 0 HG3 GLN A 10 9.163 1.098 -13.250 1.00 11.14 H new ATOM 0 HE21 GLN A 10 11.529 1.717 -10.898 1.00 4.53 H new ATOM 0 HE22 GLN A 10 12.901 2.004 -11.973 1.00 4.53 H new ATOM 291 N SER A 11 7.112 5.594 -11.787 1.00 2.22 N ATOM 292 CA SER A 11 6.133 6.626 -12.128 1.00 31.44 C ATOM 293 C SER A 11 4.941 6.578 -11.165 1.00 60.01 C ATOM 294 O SER A 11 4.703 5.548 -10.534 1.00 44.20 O ATOM 295 CB SER A 11 5.672 6.441 -13.594 1.00 33.23 C ATOM 296 OG SER A 11 6.504 7.177 -14.468 1.00 42.42 O ATOM 0 H SER A 11 6.724 4.855 -11.201 1.00 2.22 H new ATOM 0 HA SER A 11 6.598 7.607 -12.030 1.00 31.44 H new ATOM 0 HB2 SER A 11 5.699 5.384 -13.860 1.00 33.23 H new ATOM 0 HB3 SER A 11 4.639 6.771 -13.701 1.00 33.23 H new ATOM 0 HG SER A 11 7.427 7.153 -14.139 1.00 42.42 H new ATOM 302 N GLN A 12 4.201 7.694 -11.092 1.00 33.41 N ATOM 303 CA GLN A 12 3.000 7.835 -10.270 1.00 74.33 C ATOM 304 C GLN A 12 2.141 9.011 -10.762 1.00 1.03 C ATOM 305 O GLN A 12 2.681 10.033 -11.185 1.00 32.25 O ATOM 306 CB GLN A 12 3.359 7.913 -8.767 1.00 61.21 C ATOM 307 CG GLN A 12 4.354 9.030 -8.382 1.00 23.43 C ATOM 308 CD GLN A 12 4.831 8.945 -6.929 1.00 73.02 C ATOM 309 OE1 GLN A 12 4.412 8.079 -6.163 1.00 23.32 O ATOM 310 NE2 GLN A 12 5.720 9.861 -6.543 1.00 11.21 N ATOM 0 H GLN A 12 4.429 8.539 -11.616 1.00 33.41 H new ATOM 0 HA GLN A 12 2.385 6.942 -10.381 1.00 74.33 H new ATOM 0 HB2 GLN A 12 2.440 8.056 -8.198 1.00 61.21 H new ATOM 0 HB3 GLN A 12 3.778 6.955 -8.460 1.00 61.21 H new ATOM 0 HG2 GLN A 12 5.219 8.980 -9.044 1.00 23.43 H new ATOM 0 HG3 GLN A 12 3.882 9.999 -8.546 1.00 23.43 H new ATOM 0 HE21 GLN A 12 6.046 10.565 -7.205 1.00 11.21 H new ATOM 0 HE22 GLN A 12 6.074 9.857 -5.586 1.00 11.21 H new ATOM 319 N GLU A 13 0.814 8.812 -10.706 1.00 43.44 N ATOM 320 CA GLU A 13 -0.220 9.716 -11.218 1.00 42.23 C ATOM 321 C GLU A 13 -1.234 9.991 -10.100 1.00 20.52 C ATOM 322 O GLU A 13 -1.450 9.124 -9.254 1.00 74.05 O ATOM 323 CB GLU A 13 -0.927 9.044 -12.414 1.00 15.01 C ATOM 324 CG GLU A 13 0.001 8.710 -13.599 1.00 12.24 C ATOM 325 CD GLU A 13 -0.672 7.803 -14.628 1.00 45.31 C ATOM 326 OE1 GLU A 13 -1.849 8.071 -14.962 1.00 24.51 O ATOM 327 OE2 GLU A 13 0.001 6.841 -15.054 1.00 1.35 O1- ATOM 0 H GLU A 13 0.417 7.974 -10.281 1.00 43.44 H new ATOM 0 HA GLU A 13 0.225 10.656 -11.544 1.00 42.23 H new ATOM 0 HB2 GLU A 13 -1.401 8.125 -12.070 1.00 15.01 H new ATOM 0 HB3 GLU A 13 -1.723 9.701 -12.766 1.00 15.01 H new ATOM 0 HG2 GLU A 13 0.314 9.635 -14.084 1.00 12.24 H new ATOM 0 HG3 GLU A 13 0.903 8.225 -13.225 1.00 12.24 H new ATOM 334 N ASN A 14 -1.829 11.202 -10.108 1.00 43.13 N ATOM 335 CA ASN A 14 -2.702 11.745 -9.047 1.00 52.34 C ATOM 336 C ASN A 14 -1.995 11.887 -7.679 1.00 34.24 C ATOM 337 O ASN A 14 -2.687 12.057 -6.676 1.00 23.21 O ATOM 338 CB ASN A 14 -4.037 10.939 -8.946 1.00 31.51 C ATOM 339 CG ASN A 14 -5.264 11.652 -9.523 1.00 12.42 C ATOM 340 OD1 ASN A 14 -5.436 12.856 -9.350 1.00 10.54 O ATOM 341 ND2 ASN A 14 -6.156 10.899 -10.169 1.00 73.45 N ATOM 0 H ASN A 14 -1.710 11.853 -10.884 1.00 43.13 H new ATOM 0 HA ASN A 14 -2.951 12.764 -9.344 1.00 52.34 H new ATOM 0 HB2 ASN A 14 -3.911 9.988 -9.463 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -4.228 10.709 -7.898 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -7.010 11.321 -10.535 1.00 73.45 H new ATOM 0 HD22 ASN A 14 -5.984 9.902 -10.297 1.00 73.45 H new ATOM 348 N PHE A 15 -0.647 11.839 -7.657 1.00 24.15 N ATOM 349 CA PHE A 15 0.179 11.904 -6.452 1.00 23.43 C ATOM 350 C PHE A 15 -0.082 13.160 -5.618 1.00 74.11 C ATOM 351 O PHE A 15 -0.457 13.020 -4.458 1.00 1.01 O ATOM 352 CB PHE A 15 1.673 11.710 -6.794 1.00 2.23 C ATOM 353 CG PHE A 15 2.631 11.801 -5.612 1.00 74.31 C ATOM 354 CD1 PHE A 15 3.167 13.045 -5.224 1.00 60.44 C ATOM 355 CD2 PHE A 15 2.858 10.680 -4.785 1.00 63.41 C ATOM 356 CE1 PHE A 15 3.978 13.133 -4.102 1.00 62.11 C ATOM 357 CE2 PHE A 15 3.685 10.784 -3.676 1.00 71.40 C ATOM 358 CZ PHE A 15 4.251 12.006 -3.342 1.00 21.22 C ATOM 0 H PHE A 15 -0.094 11.751 -8.509 1.00 24.15 H new ATOM 0 HA PHE A 15 -0.117 11.072 -5.813 1.00 23.43 H new ATOM 0 HB2 PHE A 15 1.797 10.735 -7.266 1.00 2.23 H new ATOM 0 HB3 PHE A 15 1.960 12.460 -7.531 1.00 2.23 H new ATOM 0 HD1 PHE A 15 2.946 13.931 -5.801 1.00 60.44 H new ATOM 0 HD2 PHE A 15 2.386 9.737 -5.017 1.00 63.41 H new ATOM 0 HE1 PHE A 15 4.400 14.086 -3.819 1.00 62.11 H new ATOM 0 HE2 PHE A 15 3.889 9.912 -3.072 1.00 71.40 H new ATOM 0 HZ PHE A 15 4.907 12.080 -2.487 1.00 21.22 H new ATOM 368 N GLU A 16 0.070 14.348 -6.229 1.00 41.43 N ATOM 369 CA GLU A 16 -0.158 15.630 -5.563 1.00 0.21 C ATOM 370 C GLU A 16 -1.601 15.792 -5.064 1.00 40.14 C ATOM 371 O GLU A 16 -1.777 16.122 -3.896 1.00 50.12 O ATOM 372 CB GLU A 16 0.242 16.814 -6.460 1.00 62.30 C ATOM 373 CG GLU A 16 1.708 16.778 -6.937 1.00 34.23 C ATOM 374 CD GLU A 16 2.156 18.096 -7.575 1.00 35.45 C ATOM 375 OE1 GLU A 16 3.380 18.345 -7.545 1.00 2.32 O ATOM 376 OE2 GLU A 16 1.280 18.841 -8.069 1.00 14.32 O1- ATOM 0 H GLU A 16 0.356 14.440 -7.204 1.00 41.43 H new ATOM 0 HA GLU A 16 0.487 15.632 -4.684 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -0.412 16.832 -7.332 1.00 62.30 H new ATOM 0 HB3 GLU A 16 0.072 17.742 -5.915 1.00 62.30 H new ATOM 0 HG2 GLU A 16 2.356 16.551 -6.090 1.00 34.23 H new ATOM 0 HG3 GLU A 16 1.831 15.970 -7.658 1.00 34.23 H new ATOM 383 N ALA A 17 -2.595 15.502 -5.923 1.00 41.43 N ATOM 384 CA ALA A 17 -4.023 15.554 -5.596 1.00 64.44 C ATOM 385 C ALA A 17 -4.415 14.687 -4.386 1.00 21.15 C ATOM 386 O ALA A 17 -5.153 15.163 -3.524 1.00 52.04 O ATOM 387 CB ALA A 17 -4.839 15.154 -6.833 1.00 51.43 C ATOM 0 H ALA A 17 -2.418 15.218 -6.887 1.00 41.43 H new ATOM 0 HA ALA A 17 -4.247 16.580 -5.306 1.00 64.44 H new ATOM 0 HB1 ALA A 17 -5.902 15.191 -6.595 1.00 51.43 H new ATOM 0 HB2 ALA A 17 -4.625 15.845 -7.649 1.00 51.43 H new ATOM 0 HB3 ALA A 17 -4.570 14.142 -7.135 1.00 51.43 H new ATOM 393 N PHE A 18 -3.861 13.466 -4.323 1.00 53.03 N ATOM 394 CA PHE A 18 -4.005 12.532 -3.211 1.00 1.40 C ATOM 395 C PHE A 18 -3.293 12.999 -1.930 1.00 42.54 C ATOM 396 O PHE A 18 -3.903 12.944 -0.866 1.00 24.03 O ATOM 397 CB PHE A 18 -3.554 11.128 -3.670 1.00 72.24 C ATOM 398 CG PHE A 18 -3.587 10.038 -2.613 1.00 64.31 C ATOM 399 CD1 PHE A 18 -4.795 9.366 -2.328 1.00 12.40 C ATOM 400 CD2 PHE A 18 -2.462 9.806 -1.792 1.00 3.02 C ATOM 401 CE1 PHE A 18 -4.845 8.447 -1.288 1.00 31.44 C ATOM 402 CE2 PHE A 18 -2.539 8.896 -0.748 1.00 22.13 C ATOM 403 CZ PHE A 18 -3.724 8.217 -0.500 1.00 41.52 C ATOM 0 H PHE A 18 -3.281 13.095 -5.075 1.00 53.03 H new ATOM 0 HA PHE A 18 -5.058 12.489 -2.932 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -4.187 10.819 -4.502 1.00 72.24 H new ATOM 0 HB3 PHE A 18 -2.537 11.203 -4.054 1.00 72.24 H new ATOM 0 HD1 PHE A 18 -5.678 9.566 -2.917 1.00 12.40 H new ATOM 0 HD2 PHE A 18 -1.540 10.338 -1.977 1.00 3.02 H new ATOM 0 HE1 PHE A 18 -5.760 7.908 -1.091 1.00 31.44 H new ATOM 0 HE2 PHE A 18 -1.675 8.715 -0.126 1.00 22.13 H new ATOM 0 HZ PHE A 18 -3.775 7.505 0.311 1.00 41.52 H new ATOM 413 N MET A 19 -2.032 13.449 -2.056 1.00 55.30 N ATOM 414 CA MET A 19 -1.193 13.900 -0.942 1.00 10.14 C ATOM 415 C MET A 19 -1.719 15.182 -0.268 1.00 23.02 C ATOM 416 O MET A 19 -1.729 15.236 0.960 1.00 25.41 O ATOM 417 CB MET A 19 0.264 14.073 -1.390 1.00 3.32 C ATOM 418 CG MET A 19 0.973 12.792 -1.860 1.00 44.32 C ATOM 419 SD MET A 19 2.078 12.024 -0.648 1.00 31.24 S ATOM 420 CE MET A 19 1.270 10.416 -0.456 1.00 45.12 C ATOM 0 H MET A 19 -1.561 13.509 -2.959 1.00 55.30 H new ATOM 0 HA MET A 19 -1.237 13.116 -0.186 1.00 10.14 H new ATOM 0 HB2 MET A 19 0.292 14.800 -2.201 1.00 3.32 H new ATOM 0 HB3 MET A 19 0.832 14.498 -0.562 1.00 3.32 H new ATOM 0 HG2 MET A 19 0.216 12.063 -2.148 1.00 44.32 H new ATOM 0 HG3 MET A 19 1.549 13.024 -2.756 1.00 44.32 H new ATOM 0 HE1 MET A 19 1.739 9.868 0.361 1.00 45.12 H new ATOM 0 HE2 MET A 19 0.213 10.564 -0.234 1.00 45.12 H new ATOM 0 HE3 MET A 19 1.370 9.846 -1.380 1.00 45.12 H new ATOM 430 N LYS A 20 -2.196 16.156 -1.068 1.00 5.12 N ATOM 431 CA LYS A 20 -2.921 17.340 -0.591 1.00 70.21 C ATOM 432 C LYS A 20 -4.227 16.968 0.146 1.00 45.31 C ATOM 433 O LYS A 20 -4.517 17.576 1.177 1.00 54.35 O ATOM 434 CB LYS A 20 -3.215 18.334 -1.750 1.00 21.54 C ATOM 435 CG LYS A 20 -2.121 19.384 -2.069 1.00 73.32 C ATOM 436 CD LYS A 20 -1.169 19.012 -3.220 1.00 31.42 C ATOM 437 CE LYS A 20 -0.170 20.119 -3.604 1.00 14.14 C ATOM 438 NZ LYS A 20 -0.819 21.233 -4.316 1.00 71.41 N1+ ATOM 0 H LYS A 20 -2.084 16.137 -2.082 1.00 5.12 H new ATOM 0 HA LYS A 20 -2.267 17.834 0.127 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -3.403 17.755 -2.654 1.00 21.54 H new ATOM 0 HB3 LYS A 20 -4.137 18.866 -1.515 1.00 21.54 H new ATOM 0 HG2 LYS A 20 -2.607 20.329 -2.312 1.00 73.32 H new ATOM 0 HG3 LYS A 20 -1.529 19.553 -1.170 1.00 73.32 H new ATOM 0 HD2 LYS A 20 -0.612 18.118 -2.939 1.00 31.42 H new ATOM 0 HD3 LYS A 20 -1.763 18.755 -4.097 1.00 31.42 H new ATOM 0 HE2 LYS A 20 0.313 20.498 -2.703 1.00 14.14 H new ATOM 0 HE3 LYS A 20 0.614 19.696 -4.232 1.00 14.14 H new ATOM 0 HZ1 LYS A 20 -0.108 21.954 -4.554 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 -1.258 20.878 -5.189 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 -1.550 21.655 -3.708 1.00 71.41 H new ATOM 452 N ALA A 21 -4.968 15.973 -0.379 1.00 70.25 N ATOM 453 CA ALA A 21 -6.238 15.503 0.176 1.00 31.14 C ATOM 454 C ALA A 21 -6.118 14.721 1.496 1.00 31.42 C ATOM 455 O ALA A 21 -7.039 14.815 2.306 1.00 52.22 O ATOM 456 CB ALA A 21 -6.988 14.680 -0.878 1.00 4.31 C ATOM 0 H ALA A 21 -4.688 15.467 -1.219 1.00 70.25 H new ATOM 0 HA ALA A 21 -6.803 16.399 0.435 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -7.933 14.331 -0.462 1.00 4.31 H new ATOM 0 HB2 ALA A 21 -7.183 15.300 -1.753 1.00 4.31 H new ATOM 0 HB3 ALA A 21 -6.381 13.823 -1.169 1.00 4.31 H new ATOM 462 N ILE A 22 -5.000 14.001 1.716 1.00 64.42 N ATOM 463 CA ILE A 22 -4.698 13.339 2.994 1.00 53.33 C ATOM 464 C ILE A 22 -3.973 14.264 4.005 1.00 74.23 C ATOM 465 O ILE A 22 -3.705 13.828 5.124 1.00 51.23 O ATOM 466 CB ILE A 22 -3.913 12.003 2.828 1.00 34.13 C ATOM 467 CG1 ILE A 22 -2.480 12.132 2.267 1.00 63.24 C ATOM 468 CG2 ILE A 22 -4.737 10.967 2.038 1.00 10.14 C ATOM 469 CD1 ILE A 22 -1.551 10.980 2.679 1.00 61.52 C ATOM 0 H ILE A 22 -4.280 13.864 1.007 1.00 64.42 H new ATOM 0 HA ILE A 22 -5.677 13.097 3.407 1.00 53.33 H new ATOM 0 HB ILE A 22 -3.767 11.647 3.848 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -2.528 12.177 1.179 1.00 63.24 H new ATOM 0 HG13 ILE A 22 -2.049 13.074 2.607 1.00 63.24 H new ATOM 0 HG21 ILE A 22 -4.163 10.045 1.938 1.00 10.14 H new ATOM 0 HG22 ILE A 22 -5.666 10.760 2.569 1.00 10.14 H new ATOM 0 HG23 ILE A 22 -4.965 11.362 1.048 1.00 10.14 H new ATOM 0 HD11 ILE A 22 -0.562 11.138 2.248 1.00 61.52 H new ATOM 0 HD12 ILE A 22 -1.473 10.947 3.766 1.00 61.52 H new ATOM 0 HD13 ILE A 22 -1.958 10.036 2.316 1.00 61.52 H new ATOM 481 N GLY A 23 -3.726 15.532 3.625 1.00 43.03 N ATOM 482 CA GLY A 23 -3.325 16.594 4.546 1.00 24.22 C ATOM 483 C GLY A 23 -1.806 16.700 4.745 1.00 33.24 C ATOM 484 O GLY A 23 -1.386 17.246 5.766 1.00 54.20 O ATOM 0 H GLY A 23 -3.802 15.844 2.657 1.00 43.03 H new ATOM 0 HA2 GLY A 23 -3.701 17.547 4.173 1.00 24.22 H new ATOM 0 HA3 GLY A 23 -3.798 16.421 5.513 1.00 24.22 H new ATOM 488 N LEU A 24 -0.984 16.208 3.803 1.00 41.30 N ATOM 489 CA LEU A 24 0.474 16.391 3.821 1.00 1.32 C ATOM 490 C LEU A 24 0.857 17.807 3.334 1.00 71.32 C ATOM 491 O LEU A 24 0.173 18.338 2.457 1.00 51.04 O ATOM 492 CB LEU A 24 1.128 15.308 2.934 1.00 61.22 C ATOM 493 CG LEU A 24 1.120 13.916 3.599 1.00 65.05 C ATOM 494 CD1 LEU A 24 1.435 12.818 2.583 1.00 2.04 C ATOM 495 CD2 LEU A 24 2.094 13.843 4.788 1.00 64.15 C ATOM 0 H LEU A 24 -1.316 15.669 3.003 1.00 41.30 H new ATOM 0 HA LEU A 24 0.838 16.288 4.843 1.00 1.32 H new ATOM 0 HB2 LEU A 24 0.600 15.255 1.982 1.00 61.22 H new ATOM 0 HB3 LEU A 24 2.156 15.596 2.713 1.00 61.22 H new ATOM 0 HG LEU A 24 0.113 13.753 3.984 1.00 65.05 H new ATOM 0 HD11 LEU A 24 1.422 11.848 3.080 1.00 2.04 H new ATOM 0 HD12 LEU A 24 0.686 12.830 1.791 1.00 2.04 H new ATOM 0 HD13 LEU A 24 2.421 12.992 2.153 1.00 2.04 H new ATOM 0 HD21 LEU A 24 2.057 12.846 5.228 1.00 64.15 H new ATOM 0 HD22 LEU A 24 3.107 14.050 4.442 1.00 64.15 H new ATOM 0 HD23 LEU A 24 1.809 14.581 5.538 1.00 64.15 H new ATOM 507 N PRO A 25 1.939 18.395 3.901 1.00 51.42 N ATOM 508 CA PRO A 25 2.436 19.718 3.483 1.00 64.41 C ATOM 509 C PRO A 25 3.092 19.674 2.093 1.00 52.34 C ATOM 510 O PRO A 25 3.662 18.648 1.720 1.00 25.31 O ATOM 511 CB PRO A 25 3.454 20.078 4.576 1.00 42.32 C ATOM 512 CG PRO A 25 4.012 18.741 5.025 1.00 45.43 C ATOM 513 CD PRO A 25 2.800 17.821 4.941 1.00 10.24 C ATOM 0 HA PRO A 25 1.637 20.453 3.386 1.00 64.41 H new ATOM 0 HB2 PRO A 25 4.240 20.727 4.189 1.00 42.32 H new ATOM 0 HB3 PRO A 25 2.980 20.609 5.402 1.00 42.32 H new ATOM 0 HG2 PRO A 25 4.821 18.403 4.378 1.00 45.43 H new ATOM 0 HG3 PRO A 25 4.413 18.790 6.037 1.00 45.43 H new ATOM 0 HD2 PRO A 25 3.097 16.804 4.686 1.00 10.24 H new ATOM 0 HD3 PRO A 25 2.279 17.771 5.897 1.00 10.24 H new ATOM 521 N GLU A 26 3.002 20.800 1.366 1.00 15.43 N ATOM 522 CA GLU A 26 3.527 20.978 0.008 1.00 32.41 C ATOM 523 C GLU A 26 5.032 20.671 -0.147 1.00 20.45 C ATOM 524 O GLU A 26 5.433 20.202 -1.209 1.00 41.02 O ATOM 525 CB GLU A 26 3.126 22.380 -0.497 1.00 40.32 C ATOM 526 CG GLU A 26 3.551 22.700 -1.946 1.00 11.11 C ATOM 527 CD GLU A 26 2.962 24.016 -2.460 1.00 71.15 C ATOM 528 OE1 GLU A 26 2.606 24.040 -3.659 1.00 30.22 O ATOM 529 OE2 GLU A 26 2.872 24.969 -1.655 1.00 51.31 O1- ATOM 0 H GLU A 26 2.545 21.639 1.723 1.00 15.43 H new ATOM 0 HA GLU A 26 3.069 20.223 -0.631 1.00 32.41 H new ATOM 0 HB2 GLU A 26 2.043 22.480 -0.422 1.00 40.32 H new ATOM 0 HB3 GLU A 26 3.562 23.127 0.166 1.00 40.32 H new ATOM 0 HG2 GLU A 26 4.639 22.749 -1.998 1.00 11.11 H new ATOM 0 HG3 GLU A 26 3.237 21.887 -2.600 1.00 11.11 H new ATOM 536 N GLU A 27 5.819 20.868 0.925 1.00 72.42 N ATOM 537 CA GLU A 27 7.228 20.483 1.027 1.00 12.31 C ATOM 538 C GLU A 27 7.464 18.973 0.814 1.00 42.50 C ATOM 539 O GLU A 27 8.245 18.615 -0.066 1.00 21.24 O ATOM 540 CB GLU A 27 7.780 20.987 2.375 1.00 3.21 C ATOM 541 CG GLU A 27 9.247 20.606 2.664 1.00 35.22 C ATOM 542 CD GLU A 27 9.742 21.208 3.978 1.00 64.24 C ATOM 543 OE1 GLU A 27 10.782 21.900 3.930 1.00 75.20 O ATOM 544 OE2 GLU A 27 9.076 20.962 5.008 1.00 2.32 O1- ATOM 0 H GLU A 27 5.473 21.317 1.773 1.00 72.42 H new ATOM 0 HA GLU A 27 7.778 20.957 0.214 1.00 12.31 H new ATOM 0 HB2 GLU A 27 7.690 22.073 2.404 1.00 3.21 H new ATOM 0 HB3 GLU A 27 7.154 20.594 3.176 1.00 3.21 H new ATOM 0 HG2 GLU A 27 9.339 19.521 2.704 1.00 35.22 H new ATOM 0 HG3 GLU A 27 9.880 20.950 1.846 1.00 35.22 H new ATOM 551 N LEU A 28 6.752 18.134 1.592 1.00 51.31 N ATOM 552 CA LEU A 28 6.779 16.668 1.492 1.00 65.54 C ATOM 553 C LEU A 28 6.203 16.127 0.170 1.00 32.34 C ATOM 554 O LEU A 28 6.562 15.018 -0.223 1.00 40.54 O ATOM 555 CB LEU A 28 6.047 16.032 2.697 1.00 15.54 C ATOM 556 CG LEU A 28 6.782 16.181 4.049 1.00 40.12 C ATOM 557 CD1 LEU A 28 5.924 15.629 5.208 1.00 40.45 C ATOM 558 CD2 LEU A 28 8.184 15.537 4.028 1.00 71.15 C ATOM 0 H LEU A 28 6.127 18.470 2.325 1.00 51.31 H new ATOM 0 HA LEU A 28 7.831 16.382 1.506 1.00 65.54 H new ATOM 0 HB2 LEU A 28 5.059 16.483 2.784 1.00 15.54 H new ATOM 0 HB3 LEU A 28 5.897 14.971 2.495 1.00 15.54 H new ATOM 0 HG LEU A 28 6.932 17.247 4.217 1.00 40.12 H new ATOM 0 HD11 LEU A 28 6.464 15.746 6.148 1.00 40.45 H new ATOM 0 HD12 LEU A 28 4.984 16.179 5.259 1.00 40.45 H new ATOM 0 HD13 LEU A 28 5.718 14.572 5.037 1.00 40.45 H new ATOM 0 HD21 LEU A 28 8.659 15.668 5.000 1.00 71.15 H new ATOM 0 HD22 LEU A 28 8.092 14.473 3.810 1.00 71.15 H new ATOM 0 HD23 LEU A 28 8.792 16.014 3.259 1.00 71.15 H new ATOM 570 N ILE A 29 5.351 16.921 -0.498 1.00 13.23 N ATOM 571 CA ILE A 29 4.765 16.597 -1.794 1.00 61.03 C ATOM 572 C ILE A 29 5.766 16.838 -2.938 1.00 61.24 C ATOM 573 O ILE A 29 5.957 15.934 -3.745 1.00 44.33 O ATOM 574 CB ILE A 29 3.455 17.395 -2.046 1.00 42.33 C ATOM 575 CG1 ILE A 29 2.404 17.025 -0.980 1.00 62.41 C ATOM 576 CG2 ILE A 29 2.860 17.197 -3.459 1.00 63.41 C ATOM 577 CD1 ILE A 29 1.251 18.023 -0.832 1.00 23.43 C ATOM 0 H ILE A 29 5.048 17.826 -0.137 1.00 13.23 H new ATOM 0 HA ILE A 29 4.516 15.536 -1.774 1.00 61.03 H new ATOM 0 HB ILE A 29 3.723 18.449 -1.973 1.00 42.33 H new ATOM 0 HG12 ILE A 29 1.989 16.047 -1.225 1.00 62.41 H new ATOM 0 HG13 ILE A 29 2.905 16.926 -0.017 1.00 62.41 H new ATOM 0 HG21 ILE A 29 1.948 17.786 -3.556 1.00 63.41 H new ATOM 0 HG22 ILE A 29 3.583 17.522 -4.207 1.00 63.41 H new ATOM 0 HG23 ILE A 29 2.629 16.143 -3.612 1.00 63.41 H new ATOM 0 HD11 ILE A 29 0.566 17.675 -0.059 1.00 23.43 H new ATOM 0 HD12 ILE A 29 1.648 18.999 -0.552 1.00 23.43 H new ATOM 0 HD13 ILE A 29 0.718 18.106 -1.779 1.00 23.43 H new ATOM 589 N GLN A 30 6.411 18.019 -2.977 1.00 73.04 N ATOM 590 CA GLN A 30 7.369 18.388 -4.026 1.00 71.00 C ATOM 591 C GLN A 30 8.652 17.539 -4.037 1.00 2.13 C ATOM 592 O GLN A 30 9.130 17.207 -5.121 1.00 63.11 O ATOM 593 CB GLN A 30 7.690 19.903 -3.970 1.00 31.43 C ATOM 594 CG GLN A 30 6.529 20.861 -4.329 1.00 43.50 C ATOM 595 CD GLN A 30 5.777 20.475 -5.604 1.00 43.21 C ATOM 596 OE1 GLN A 30 6.323 20.559 -6.700 1.00 42.35 O ATOM 597 NE2 GLN A 30 4.529 20.028 -5.458 1.00 51.30 N ATOM 0 H GLN A 30 6.278 18.746 -2.274 1.00 73.04 H new ATOM 0 HA GLN A 30 6.875 18.166 -4.972 1.00 71.00 H new ATOM 0 HB2 GLN A 30 8.034 20.143 -2.964 1.00 31.43 H new ATOM 0 HB3 GLN A 30 8.521 20.102 -4.647 1.00 31.43 H new ATOM 0 HG2 GLN A 30 5.824 20.889 -3.498 1.00 43.50 H new ATOM 0 HG3 GLN A 30 6.926 21.870 -4.445 1.00 43.50 H new ATOM 0 HE21 GLN A 30 4.112 19.974 -4.529 1.00 51.30 H new ATOM 0 HE22 GLN A 30 3.991 19.740 -6.276 1.00 51.30 H new ATOM 606 N LYS A 31 9.154 17.154 -2.853 1.00 15.24 N ATOM 607 CA LYS A 31 10.258 16.197 -2.716 1.00 32.41 C ATOM 608 C LYS A 31 9.802 14.742 -2.944 1.00 15.54 C ATOM 609 O LYS A 31 10.620 13.931 -3.368 1.00 25.33 O ATOM 610 CB LYS A 31 10.942 16.398 -1.343 1.00 61.25 C ATOM 611 CG LYS A 31 10.081 16.025 -0.118 1.00 25.12 C ATOM 612 CD LYS A 31 10.257 14.585 0.400 1.00 14.14 C ATOM 613 CE LYS A 31 11.052 14.508 1.708 1.00 54.24 C ATOM 614 NZ LYS A 31 12.412 15.057 1.560 1.00 12.45 N1+ ATOM 0 H LYS A 31 8.802 17.501 -1.961 1.00 15.24 H new ATOM 0 HA LYS A 31 10.991 16.393 -3.498 1.00 32.41 H new ATOM 0 HB2 LYS A 31 11.855 15.803 -1.320 1.00 61.25 H new ATOM 0 HB3 LYS A 31 11.240 17.443 -1.253 1.00 61.25 H new ATOM 0 HG2 LYS A 31 10.314 16.716 0.692 1.00 25.12 H new ATOM 0 HG3 LYS A 31 9.032 16.176 -0.373 1.00 25.12 H new ATOM 0 HD2 LYS A 31 9.275 14.138 0.552 1.00 14.14 H new ATOM 0 HD3 LYS A 31 10.763 13.991 -0.361 1.00 14.14 H new ATOM 0 HE2 LYS A 31 10.522 15.056 2.487 1.00 54.24 H new ATOM 0 HE3 LYS A 31 11.114 13.470 2.034 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 12.686 15.546 2.436 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 13.080 14.283 1.372 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 12.430 15.730 0.768 1.00 12.45 H new ATOM 628 N GLY A 32 8.522 14.435 -2.668 1.00 25.23 N ATOM 629 CA GLY A 32 7.957 13.090 -2.776 1.00 2.20 C ATOM 630 C GLY A 32 7.664 12.694 -4.232 1.00 32.41 C ATOM 631 O GLY A 32 7.729 11.506 -4.547 1.00 51.50 O ATOM 0 H GLY A 32 7.844 15.131 -2.359 1.00 25.23 H new ATOM 0 HA2 GLY A 32 8.650 12.371 -2.339 1.00 2.20 H new ATOM 0 HA3 GLY A 32 7.036 13.038 -2.196 1.00 2.20 H new ATOM 635 N LYS A 33 7.357 13.667 -5.110 1.00 23.43 N ATOM 636 CA LYS A 33 7.143 13.452 -6.545 1.00 13.23 C ATOM 637 C LYS A 33 8.439 13.565 -7.364 1.00 61.53 C ATOM 638 O LYS A 33 8.533 12.908 -8.401 1.00 51.30 O ATOM 639 CB LYS A 33 6.043 14.394 -7.086 1.00 51.13 C ATOM 640 CG LYS A 33 6.292 15.911 -6.941 1.00 0.44 C ATOM 641 CD LYS A 33 6.137 16.713 -8.240 1.00 73.42 C ATOM 642 CE LYS A 33 7.247 16.447 -9.265 1.00 35.11 C ATOM 643 NZ LYS A 33 7.066 17.282 -10.463 1.00 72.55 N1+ ATOM 0 H LYS A 33 7.250 14.642 -4.832 1.00 23.43 H new ATOM 0 HA LYS A 33 6.799 12.424 -6.664 1.00 13.23 H new ATOM 0 HB2 LYS A 33 5.897 14.173 -8.143 1.00 51.13 H new ATOM 0 HB3 LYS A 33 5.109 14.153 -6.578 1.00 51.13 H new ATOM 0 HG2 LYS A 33 5.600 16.310 -6.199 1.00 0.44 H new ATOM 0 HG3 LYS A 33 7.299 16.065 -6.553 1.00 0.44 H new ATOM 0 HD2 LYS A 33 5.174 16.475 -8.691 1.00 73.42 H new ATOM 0 HD3 LYS A 33 6.123 17.776 -8.001 1.00 73.42 H new ATOM 0 HE2 LYS A 33 8.219 16.653 -8.816 1.00 35.11 H new ATOM 0 HE3 LYS A 33 7.243 15.394 -9.547 1.00 35.11 H new ATOM 0 HZ1 LYS A 33 7.829 17.085 -11.142 1.00 72.55 H new ATOM 0 HZ2 LYS A 33 6.148 17.066 -10.901 1.00 72.55 H new ATOM 0 HZ3 LYS A 33 7.094 18.286 -10.194 1.00 72.55 H new ATOM 657 N ASP A 34 9.399 14.392 -6.909 1.00 50.54 N ATOM 658 CA ASP A 34 10.668 14.622 -7.600 1.00 73.22 C ATOM 659 C ASP A 34 11.635 13.453 -7.350 1.00 31.32 C ATOM 660 O ASP A 34 12.036 12.797 -8.312 1.00 61.12 O ATOM 661 CB ASP A 34 11.287 15.990 -7.236 1.00 22.05 C ATOM 662 CG ASP A 34 12.480 16.374 -8.116 1.00 5.32 C ATOM 663 OD1 ASP A 34 12.244 17.119 -9.092 1.00 31.22 O ATOM 664 OD2 ASP A 34 13.602 15.925 -7.794 1.00 3.34 O1- ATOM 0 H ASP A 34 9.308 14.921 -6.042 1.00 50.54 H new ATOM 0 HA ASP A 34 10.468 14.661 -8.671 1.00 73.22 H new ATOM 0 HB2 ASP A 34 10.521 16.761 -7.320 1.00 22.05 H new ATOM 0 HB3 ASP A 34 11.606 15.970 -6.194 1.00 22.05 H new ATOM 669 N ILE A 35 11.967 13.208 -6.072 1.00 12.23 N ATOM 670 CA ILE A 35 12.843 12.116 -5.650 1.00 41.32 C ATOM 671 C ILE A 35 12.074 10.787 -5.771 1.00 25.42 C ATOM 672 O ILE A 35 11.141 10.551 -4.999 1.00 2.34 O ATOM 673 CB ILE A 35 13.335 12.282 -4.175 1.00 45.03 C ATOM 674 CG1 ILE A 35 13.943 13.678 -3.889 1.00 53.41 C ATOM 675 CG2 ILE A 35 14.300 11.162 -3.726 1.00 41.45 C ATOM 676 CD1 ILE A 35 15.136 14.069 -4.773 1.00 5.42 C ATOM 0 H ILE A 35 11.626 13.775 -5.295 1.00 12.23 H new ATOM 0 HA ILE A 35 13.721 12.127 -6.296 1.00 41.32 H new ATOM 0 HB ILE A 35 12.431 12.192 -3.573 1.00 45.03 H new ATOM 0 HG12 ILE A 35 13.161 14.428 -4.010 1.00 53.41 H new ATOM 0 HG13 ILE A 35 14.258 13.712 -2.846 1.00 53.41 H new ATOM 0 HG21 ILE A 35 14.604 11.336 -2.694 1.00 41.45 H new ATOM 0 HG22 ILE A 35 13.797 10.198 -3.799 1.00 41.45 H new ATOM 0 HG23 ILE A 35 15.181 11.161 -4.368 1.00 41.45 H new ATOM 0 HD11 ILE A 35 15.487 15.062 -4.492 1.00 5.42 H new ATOM 0 HD12 ILE A 35 15.942 13.348 -4.637 1.00 5.42 H new ATOM 0 HD13 ILE A 35 14.828 14.075 -5.818 1.00 5.42 H new ATOM 688 N LYS A 36 12.475 9.953 -6.747 1.00 22.42 N ATOM 689 CA LYS A 36 11.956 8.597 -6.916 1.00 71.21 C ATOM 690 C LYS A 36 12.435 7.700 -5.768 1.00 4.44 C ATOM 691 O LYS A 36 13.637 7.482 -5.615 1.00 43.34 O ATOM 692 CB LYS A 36 12.326 8.029 -8.308 1.00 63.15 C ATOM 693 CG LYS A 36 11.172 8.084 -9.329 1.00 0.11 C ATOM 694 CD LYS A 36 10.663 9.488 -9.693 1.00 54.43 C ATOM 695 CE LYS A 36 11.648 10.280 -10.562 1.00 3.34 C ATOM 696 NZ LYS A 36 11.126 11.622 -10.865 1.00 51.25 N1+ ATOM 0 H LYS A 36 13.175 10.210 -7.443 1.00 22.42 H new ATOM 0 HA LYS A 36 10.867 8.626 -6.874 1.00 71.21 H new ATOM 0 HB2 LYS A 36 13.175 8.586 -8.703 1.00 63.15 H new ATOM 0 HB3 LYS A 36 12.649 6.994 -8.194 1.00 63.15 H new ATOM 0 HG2 LYS A 36 11.498 7.589 -10.244 1.00 0.11 H new ATOM 0 HG3 LYS A 36 10.336 7.507 -8.934 1.00 0.11 H new ATOM 0 HD2 LYS A 36 9.714 9.398 -10.221 1.00 54.43 H new ATOM 0 HD3 LYS A 36 10.467 10.045 -8.777 1.00 54.43 H new ATOM 0 HE2 LYS A 36 12.605 10.366 -10.047 1.00 3.34 H new ATOM 0 HE3 LYS A 36 11.834 9.740 -11.491 1.00 3.34 H new ATOM 0 HZ1 LYS A 36 11.579 11.984 -11.728 1.00 51.25 H new ATOM 0 HZ2 LYS A 36 10.097 11.570 -11.009 1.00 51.25 H new ATOM 0 HZ3 LYS A 36 11.332 12.262 -10.072 1.00 51.25 H new ATOM 710 N GLY A 37 11.462 7.229 -4.976 1.00 2.05 N ATOM 711 CA GLY A 37 11.676 6.395 -3.804 1.00 32.21 C ATOM 712 C GLY A 37 11.971 4.941 -4.190 1.00 11.23 C ATOM 713 O GLY A 37 11.995 4.559 -5.361 1.00 34.23 O ATOM 0 H GLY A 37 10.476 7.429 -5.146 1.00 2.05 H new ATOM 0 HA2 GLY A 37 12.507 6.793 -3.221 1.00 32.21 H new ATOM 0 HA3 GLY A 37 10.793 6.430 -3.166 1.00 32.21 H new ATOM 717 N VAL A 38 12.183 4.131 -3.151 1.00 23.15 N ATOM 718 CA VAL A 38 12.384 2.687 -3.226 1.00 73.42 C ATOM 719 C VAL A 38 11.210 2.032 -2.463 1.00 44.22 C ATOM 720 O VAL A 38 10.531 2.704 -1.684 1.00 3.40 O ATOM 721 CB VAL A 38 13.755 2.300 -2.583 1.00 61.42 C ATOM 722 CG1 VAL A 38 14.140 0.817 -2.732 1.00 1.10 C ATOM 723 CG2 VAL A 38 14.910 3.156 -3.144 1.00 41.14 C ATOM 0 H VAL A 38 12.220 4.481 -2.194 1.00 23.15 H new ATOM 0 HA VAL A 38 12.406 2.343 -4.260 1.00 73.42 H new ATOM 0 HB VAL A 38 13.607 2.496 -1.521 1.00 61.42 H new ATOM 0 HG11 VAL A 38 15.105 0.642 -2.256 1.00 1.10 H new ATOM 0 HG12 VAL A 38 13.382 0.195 -2.256 1.00 1.10 H new ATOM 0 HG13 VAL A 38 14.206 0.563 -3.790 1.00 1.10 H new ATOM 0 HG21 VAL A 38 15.846 2.857 -2.673 1.00 41.14 H new ATOM 0 HG22 VAL A 38 14.983 3.008 -4.221 1.00 41.14 H new ATOM 0 HG23 VAL A 38 14.718 4.208 -2.935 1.00 41.14 H new ATOM 733 N SER A 39 10.932 0.750 -2.719 1.00 55.12 N ATOM 734 CA SER A 39 9.845 0.029 -2.055 1.00 32.20 C ATOM 735 C SER A 39 10.243 -1.438 -1.917 1.00 25.20 C ATOM 736 O SER A 39 10.991 -1.936 -2.747 1.00 12.25 O ATOM 737 CB SER A 39 8.546 0.229 -2.858 1.00 61.43 C ATOM 738 OG SER A 39 7.399 -0.052 -2.081 1.00 30.44 O ATOM 0 H SER A 39 11.453 0.186 -3.390 1.00 55.12 H new ATOM 0 HA SER A 39 9.663 0.413 -1.051 1.00 32.20 H new ATOM 0 HB2 SER A 39 8.497 1.256 -3.220 1.00 61.43 H new ATOM 0 HB3 SER A 39 8.558 -0.418 -3.735 1.00 61.43 H new ATOM 0 HG SER A 39 6.595 0.087 -2.623 1.00 30.44 H new ATOM 744 N GLU A 40 9.758 -2.113 -0.875 1.00 0.52 N ATOM 745 CA GLU A 40 10.164 -3.472 -0.539 1.00 41.33 C ATOM 746 C GLU A 40 8.969 -4.201 0.074 1.00 33.01 C ATOM 747 O GLU A 40 8.216 -3.610 0.844 1.00 10.34 O ATOM 748 CB GLU A 40 11.408 -3.391 0.373 1.00 3.20 C ATOM 749 CG GLU A 40 11.998 -4.742 0.823 1.00 1.11 C ATOM 750 CD GLU A 40 13.241 -4.562 1.702 1.00 53.23 C ATOM 751 OE1 GLU A 40 14.163 -3.832 1.271 1.00 2.42 O ATOM 752 OE2 GLU A 40 13.257 -5.173 2.793 1.00 22.13 O1- ATOM 0 H GLU A 40 9.065 -1.725 -0.235 1.00 0.52 H new ATOM 0 HA GLU A 40 10.457 -4.055 -1.412 1.00 41.33 H new ATOM 0 HB2 GLU A 40 12.184 -2.833 -0.151 1.00 3.20 H new ATOM 0 HB3 GLU A 40 11.147 -2.816 1.261 1.00 3.20 H new ATOM 0 HG2 GLU A 40 11.242 -5.302 1.374 1.00 1.11 H new ATOM 0 HG3 GLU A 40 12.257 -5.335 -0.054 1.00 1.11 H new ATOM 759 N ILE A 41 8.797 -5.473 -0.296 1.00 21.23 N ATOM 760 CA ILE A 41 7.720 -6.315 0.209 1.00 11.11 C ATOM 761 C ILE A 41 8.327 -7.684 0.537 1.00 1.33 C ATOM 762 O ILE A 41 9.174 -8.166 -0.213 1.00 2.42 O ATOM 763 CB ILE A 41 6.580 -6.496 -0.836 1.00 14.45 C ATOM 764 CG1 ILE A 41 5.936 -5.155 -1.267 1.00 73.42 C ATOM 765 CG2 ILE A 41 5.490 -7.467 -0.354 1.00 42.00 C ATOM 766 CD1 ILE A 41 5.004 -5.267 -2.487 1.00 72.04 C ATOM 0 H ILE A 41 9.409 -5.947 -0.960 1.00 21.23 H new ATOM 0 HA ILE A 41 7.280 -5.843 1.088 1.00 11.11 H new ATOM 0 HB ILE A 41 7.066 -6.930 -1.710 1.00 14.45 H new ATOM 0 HG12 ILE A 41 5.371 -4.750 -0.428 1.00 73.42 H new ATOM 0 HG13 ILE A 41 6.728 -4.440 -1.493 1.00 73.42 H new ATOM 0 HG21 ILE A 41 4.719 -7.558 -1.119 1.00 42.00 H new ATOM 0 HG22 ILE A 41 5.932 -8.446 -0.166 1.00 42.00 H new ATOM 0 HG23 ILE A 41 5.045 -7.087 0.566 1.00 42.00 H new ATOM 0 HD11 ILE A 41 4.595 -4.285 -2.723 1.00 72.04 H new ATOM 0 HD12 ILE A 41 5.567 -5.641 -3.342 1.00 72.04 H new ATOM 0 HD13 ILE A 41 4.189 -5.955 -2.261 1.00 72.04 H new ATOM 778 N VAL A 42 7.886 -8.287 1.649 1.00 51.41 N ATOM 779 CA VAL A 42 8.364 -9.595 2.077 1.00 23.01 C ATOM 780 C VAL A 42 7.144 -10.459 2.432 1.00 3.20 C ATOM 781 O VAL A 42 6.514 -10.232 3.465 1.00 70.04 O ATOM 782 CB VAL A 42 9.323 -9.510 3.303 1.00 64.41 C ATOM 783 CG1 VAL A 42 9.989 -10.866 3.601 1.00 21.22 C ATOM 784 CG2 VAL A 42 10.412 -8.430 3.148 1.00 14.34 C ATOM 0 H VAL A 42 7.189 -7.877 2.271 1.00 51.41 H new ATOM 0 HA VAL A 42 8.936 -10.035 1.260 1.00 23.01 H new ATOM 0 HB VAL A 42 8.689 -9.226 4.143 1.00 64.41 H new ATOM 0 HG11 VAL A 42 10.650 -10.765 4.462 1.00 21.22 H new ATOM 0 HG12 VAL A 42 9.221 -11.609 3.818 1.00 21.22 H new ATOM 0 HG13 VAL A 42 10.568 -11.185 2.735 1.00 21.22 H new ATOM 0 HG21 VAL A 42 11.046 -8.422 4.035 1.00 14.34 H new ATOM 0 HG22 VAL A 42 11.019 -8.649 2.270 1.00 14.34 H new ATOM 0 HG23 VAL A 42 9.942 -7.454 3.030 1.00 14.34 H new ATOM 794 N GLN A 43 6.838 -11.445 1.571 1.00 45.20 N ATOM 795 CA GLN A 43 5.860 -12.495 1.865 1.00 44.04 C ATOM 796 C GLN A 43 6.514 -13.512 2.815 1.00 71.32 C ATOM 797 O GLN A 43 7.636 -13.949 2.555 1.00 74.35 O ATOM 798 CB GLN A 43 5.418 -13.180 0.554 1.00 3.31 C ATOM 799 CG GLN A 43 4.165 -14.075 0.691 1.00 64.03 C ATOM 800 CD GLN A 43 2.868 -13.272 0.832 1.00 22.32 C ATOM 801 OE1 GLN A 43 2.508 -12.514 -0.064 1.00 11.34 O ATOM 802 NE2 GLN A 43 2.140 -13.446 1.936 1.00 42.23 N ATOM 0 H GLN A 43 7.266 -11.532 0.649 1.00 45.20 H new ATOM 0 HA GLN A 43 4.975 -12.069 2.339 1.00 44.04 H new ATOM 0 HB2 GLN A 43 5.221 -12.412 -0.194 1.00 3.31 H new ATOM 0 HB3 GLN A 43 6.243 -13.786 0.179 1.00 3.31 H new ATOM 0 HG2 GLN A 43 4.091 -14.723 -0.182 1.00 64.03 H new ATOM 0 HG3 GLN A 43 4.281 -14.723 1.560 1.00 64.03 H new ATOM 0 HE21 GLN A 43 2.463 -14.082 2.665 1.00 42.23 H new ATOM 0 HE22 GLN A 43 1.260 -12.943 2.051 1.00 42.23 H new ATOM 811 N ASN A 44 5.796 -13.858 3.892 1.00 2.11 N ATOM 812 CA ASN A 44 6.257 -14.751 4.957 1.00 73.01 C ATOM 813 C ASN A 44 5.177 -15.819 5.211 1.00 14.21 C ATOM 814 O ASN A 44 4.755 -16.009 6.352 1.00 13.54 O ATOM 815 CB ASN A 44 6.569 -13.923 6.230 1.00 31.31 C ATOM 816 CG ASN A 44 7.673 -12.874 6.069 1.00 43.35 C ATOM 817 OD1 ASN A 44 8.796 -13.208 5.704 1.00 51.43 O ATOM 818 ND2 ASN A 44 7.363 -11.608 6.359 1.00 60.41 N ATOM 0 H ASN A 44 4.849 -13.512 4.048 1.00 2.11 H new ATOM 0 HA ASN A 44 7.176 -15.259 4.665 1.00 73.01 H new ATOM 0 HB2 ASN A 44 5.656 -13.421 6.551 1.00 31.31 H new ATOM 0 HB3 ASN A 44 6.854 -14.608 7.029 1.00 31.31 H new ATOM 0 HD21 ASN A 44 8.072 -10.879 6.280 1.00 60.41 H new ATOM 0 HD22 ASN A 44 6.418 -11.370 6.659 1.00 60.41 H new ATOM 825 N GLY A 45 4.725 -16.485 4.133 1.00 43.22 N ATOM 826 CA GLY A 45 3.635 -17.460 4.179 1.00 0.52 C ATOM 827 C GLY A 45 2.313 -16.709 4.364 1.00 45.51 C ATOM 828 O GLY A 45 1.915 -15.940 3.489 1.00 72.23 O ATOM 0 H GLY A 45 5.114 -16.356 3.199 1.00 43.22 H new ATOM 0 HA2 GLY A 45 3.612 -18.045 3.260 1.00 0.52 H new ATOM 0 HA3 GLY A 45 3.789 -18.161 4.999 1.00 0.52 H new ATOM 832 N LYS A 46 1.646 -16.936 5.509 1.00 30.04 N ATOM 833 CA LYS A 46 0.436 -16.220 5.929 1.00 51.45 C ATOM 834 C LYS A 46 0.703 -14.736 6.271 1.00 0.32 C ATOM 835 O LYS A 46 -0.162 -13.901 6.004 1.00 74.42 O ATOM 836 CB LYS A 46 -0.212 -16.965 7.127 1.00 21.31 C ATOM 837 CG LYS A 46 -1.651 -17.469 6.903 1.00 1.33 C ATOM 838 CD LYS A 46 -2.664 -16.407 6.435 1.00 73.32 C ATOM 839 CE LYS A 46 -4.124 -16.830 6.672 1.00 1.34 C ATOM 840 NZ LYS A 46 -4.544 -16.589 8.065 1.00 43.32 N1+ ATOM 0 H LYS A 46 1.944 -17.641 6.183 1.00 30.04 H new ATOM 0 HA LYS A 46 -0.255 -16.210 5.086 1.00 51.45 H new ATOM 0 HB2 LYS A 46 0.416 -17.818 7.383 1.00 21.31 H new ATOM 0 HB3 LYS A 46 -0.211 -16.298 7.989 1.00 21.31 H new ATOM 0 HG2 LYS A 46 -1.625 -18.270 6.165 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -2.013 -17.905 7.834 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -2.472 -15.472 6.961 1.00 73.32 H new ATOM 0 HD3 LYS A 46 -2.515 -16.212 5.373 1.00 73.32 H new ATOM 0 HE2 LYS A 46 -4.777 -16.279 5.995 1.00 1.34 H new ATOM 0 HE3 LYS A 46 -4.239 -17.888 6.435 1.00 1.34 H new ATOM 0 HZ1 LYS A 46 -5.387 -17.160 8.277 1.00 43.32 H new ATOM 0 HZ2 LYS A 46 -3.774 -16.855 8.711 1.00 43.32 H new ATOM 0 HZ3 LYS A 46 -4.768 -15.581 8.191 1.00 43.32 H new ATOM 854 N HIS A 47 1.892 -14.439 6.833 1.00 24.14 N ATOM 855 CA HIS A 47 2.376 -13.083 7.108 1.00 22.41 C ATOM 856 C HIS A 47 2.796 -12.345 5.823 1.00 14.04 C ATOM 857 O HIS A 47 3.173 -12.976 4.836 1.00 43.50 O ATOM 858 CB HIS A 47 3.546 -13.130 8.120 1.00 50.02 C ATOM 859 CG HIS A 47 3.194 -12.848 9.556 1.00 12.30 C ATOM 860 ND1 HIS A 47 2.850 -11.584 10.002 1.00 34.41 N ATOM 861 CD2 HIS A 47 3.193 -13.649 10.676 1.00 74.35 C ATOM 862 CE1 HIS A 47 2.683 -11.663 11.324 1.00 74.35 C ATOM 863 NE2 HIS A 47 2.866 -12.889 11.802 1.00 65.34 N ATOM 0 H HIS A 47 2.556 -15.160 7.114 1.00 24.14 H new ATOM 0 HA HIS A 47 1.550 -12.520 7.543 1.00 22.41 H new ATOM 0 HB2 HIS A 47 4.005 -14.117 8.067 1.00 50.02 H new ATOM 0 HB3 HIS A 47 4.301 -12.410 7.805 1.00 50.02 H new ATOM 0 HD1 HIS A 47 2.744 -10.748 9.428 1.00 34.41 H new ATOM 0 HD2 HIS A 47 3.412 -14.707 10.683 1.00 74.35 H new ATOM 0 HE1 HIS A 47 2.425 -10.816 11.942 1.00 74.35 H new ATOM 871 N PHE A 48 2.750 -11.009 5.894 1.00 64.22 N ATOM 872 CA PHE A 48 3.143 -10.089 4.835 1.00 21.45 C ATOM 873 C PHE A 48 3.715 -8.830 5.497 1.00 13.42 C ATOM 874 O PHE A 48 3.043 -8.228 6.334 1.00 2.42 O ATOM 875 CB PHE A 48 1.911 -9.777 3.960 1.00 52.14 C ATOM 876 CG PHE A 48 2.120 -8.847 2.771 1.00 13.14 C ATOM 877 CD1 PHE A 48 2.279 -7.455 2.949 1.00 75.01 C ATOM 878 CD2 PHE A 48 2.229 -9.377 1.471 1.00 65.05 C ATOM 879 CE1 PHE A 48 2.423 -6.623 1.851 1.00 13.00 C ATOM 880 CE2 PHE A 48 2.384 -8.529 0.384 1.00 52.34 C ATOM 881 CZ PHE A 48 2.442 -7.153 0.570 1.00 60.00 C ATOM 0 H PHE A 48 2.423 -10.525 6.730 1.00 64.22 H new ATOM 0 HA PHE A 48 3.906 -10.519 4.186 1.00 21.45 H new ATOM 0 HB2 PHE A 48 1.515 -10.721 3.585 1.00 52.14 H new ATOM 0 HB3 PHE A 48 1.144 -9.341 4.600 1.00 52.14 H new ATOM 0 HD1 PHE A 48 2.288 -7.038 3.945 1.00 75.01 H new ATOM 0 HD2 PHE A 48 2.192 -10.446 1.320 1.00 65.05 H new ATOM 0 HE1 PHE A 48 2.521 -5.557 1.993 1.00 13.00 H new ATOM 0 HE2 PHE A 48 2.460 -8.940 -0.612 1.00 52.34 H new ATOM 0 HZ PHE A 48 2.502 -6.495 -0.285 1.00 60.00 H new ATOM 891 N LYS A 49 4.918 -8.437 5.063 1.00 3.35 N ATOM 892 CA LYS A 49 5.605 -7.210 5.455 1.00 52.41 C ATOM 893 C LYS A 49 5.546 -6.218 4.286 1.00 72.32 C ATOM 894 O LYS A 49 5.801 -6.615 3.149 1.00 11.52 O ATOM 895 CB LYS A 49 7.067 -7.558 5.822 1.00 41.21 C ATOM 896 CG LYS A 49 7.413 -7.287 7.290 1.00 22.14 C ATOM 897 CD LYS A 49 8.881 -7.607 7.614 1.00 12.30 C ATOM 898 CE LYS A 49 9.221 -7.462 9.105 1.00 43.24 C ATOM 899 NZ LYS A 49 8.703 -8.589 9.901 1.00 54.54 N1+ ATOM 0 H LYS A 49 5.459 -8.992 4.400 1.00 3.35 H new ATOM 0 HA LYS A 49 5.129 -6.752 6.322 1.00 52.41 H new ATOM 0 HB2 LYS A 49 7.247 -8.611 5.604 1.00 41.21 H new ATOM 0 HB3 LYS A 49 7.739 -6.981 5.187 1.00 41.21 H new ATOM 0 HG2 LYS A 49 7.212 -6.241 7.521 1.00 22.14 H new ATOM 0 HG3 LYS A 49 6.764 -7.885 7.930 1.00 22.14 H new ATOM 0 HD2 LYS A 49 9.102 -8.626 7.296 1.00 12.30 H new ATOM 0 HD3 LYS A 49 9.526 -6.945 7.036 1.00 12.30 H new ATOM 0 HE2 LYS A 49 10.302 -7.399 9.226 1.00 43.24 H new ATOM 0 HE3 LYS A 49 8.803 -6.529 9.483 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 8.469 -8.259 10.859 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 7.848 -8.970 9.448 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 9.426 -9.334 9.959 1.00 54.54 H new ATOM 913 N PHE A 50 5.246 -4.947 4.598 1.00 44.13 N ATOM 914 CA PHE A 50 5.242 -3.837 3.645 1.00 1.25 C ATOM 915 C PHE A 50 6.272 -2.812 4.142 1.00 11.43 C ATOM 916 O PHE A 50 6.288 -2.486 5.326 1.00 12.42 O ATOM 917 CB PHE A 50 3.823 -3.209 3.576 1.00 51.44 C ATOM 918 CG PHE A 50 3.275 -2.921 2.181 1.00 4.32 C ATOM 919 CD1 PHE A 50 4.108 -2.480 1.126 1.00 73.22 C ATOM 920 CD2 PHE A 50 1.880 -2.956 1.967 1.00 72.15 C ATOM 921 CE1 PHE A 50 3.564 -2.197 -0.121 1.00 21.11 C ATOM 922 CE2 PHE A 50 1.354 -2.667 0.715 1.00 61.23 C ATOM 923 CZ PHE A 50 2.194 -2.302 -0.329 1.00 22.42 C ATOM 0 H PHE A 50 4.994 -4.661 5.544 1.00 44.13 H new ATOM 0 HA PHE A 50 5.501 -4.175 2.641 1.00 1.25 H new ATOM 0 HB2 PHE A 50 3.128 -3.878 4.084 1.00 51.44 H new ATOM 0 HB3 PHE A 50 3.835 -2.275 4.138 1.00 51.44 H new ATOM 0 HD1 PHE A 50 5.169 -2.363 1.290 1.00 73.22 H new ATOM 0 HD2 PHE A 50 1.218 -3.209 2.782 1.00 72.15 H new ATOM 0 HE1 PHE A 50 4.209 -1.894 -0.932 1.00 21.11 H new ATOM 0 HE2 PHE A 50 0.288 -2.726 0.552 1.00 61.23 H new ATOM 0 HZ PHE A 50 1.781 -2.099 -1.306 1.00 22.42 H new ATOM 933 N THR A 51 7.099 -2.317 3.214 1.00 53.25 N ATOM 934 CA THR A 51 8.153 -1.338 3.466 1.00 42.45 C ATOM 935 C THR A 51 8.182 -0.358 2.285 1.00 21.42 C ATOM 936 O THR A 51 8.312 -0.793 1.143 1.00 40.20 O ATOM 937 CB THR A 51 9.572 -1.974 3.627 1.00 72.25 C ATOM 938 OG1 THR A 51 9.572 -3.368 3.372 1.00 1.10 O ATOM 939 CG2 THR A 51 10.097 -1.834 5.058 1.00 30.11 C ATOM 0 H THR A 51 7.048 -2.599 2.235 1.00 53.25 H new ATOM 0 HA THR A 51 7.922 -0.844 4.410 1.00 42.45 H new ATOM 0 HB THR A 51 10.194 -1.439 2.909 1.00 72.25 H new ATOM 0 HG1 THR A 51 9.122 -3.545 2.519 1.00 1.10 H new ATOM 0 HG21 THR A 51 11.085 -2.288 5.129 1.00 30.11 H new ATOM 0 HG22 THR A 51 10.163 -0.778 5.320 1.00 30.11 H new ATOM 0 HG23 THR A 51 9.417 -2.336 5.746 1.00 30.11 H new ATOM 947 N ILE A 52 8.023 0.943 2.566 1.00 41.33 N ATOM 948 CA ILE A 52 7.975 1.982 1.538 1.00 54.14 C ATOM 949 C ILE A 52 8.953 3.093 1.945 1.00 24.44 C ATOM 950 O ILE A 52 8.725 3.762 2.952 1.00 45.15 O ATOM 951 CB ILE A 52 6.549 2.593 1.356 1.00 74.01 C ATOM 952 CG1 ILE A 52 5.463 1.516 1.092 1.00 20.40 C ATOM 953 CG2 ILE A 52 6.535 3.618 0.202 1.00 55.04 C ATOM 954 CD1 ILE A 52 4.818 0.931 2.361 1.00 33.33 C ATOM 0 H ILE A 52 7.924 1.301 3.516 1.00 41.33 H new ATOM 0 HA ILE A 52 8.247 1.529 0.585 1.00 54.14 H new ATOM 0 HB ILE A 52 6.309 3.088 2.297 1.00 74.01 H new ATOM 0 HG12 ILE A 52 4.681 1.952 0.471 1.00 20.40 H new ATOM 0 HG13 ILE A 52 5.908 0.703 0.519 1.00 20.40 H new ATOM 0 HG21 ILE A 52 5.532 4.030 0.094 1.00 55.04 H new ATOM 0 HG22 ILE A 52 7.236 4.423 0.422 1.00 55.04 H new ATOM 0 HG23 ILE A 52 6.827 3.126 -0.726 1.00 55.04 H new ATOM 0 HD11 ILE A 52 4.072 0.187 2.080 1.00 33.33 H new ATOM 0 HD12 ILE A 52 5.586 0.461 2.976 1.00 33.33 H new ATOM 0 HD13 ILE A 52 4.339 1.730 2.927 1.00 33.33 H new ATOM 966 N THR A 53 10.020 3.258 1.149 1.00 22.12 N ATOM 967 CA THR A 53 11.039 4.287 1.333 1.00 13.34 C ATOM 968 C THR A 53 10.650 5.548 0.545 1.00 63.33 C ATOM 969 O THR A 53 10.793 5.585 -0.678 1.00 3.11 O ATOM 970 CB THR A 53 12.434 3.808 0.852 1.00 54.14 C ATOM 971 OG1 THR A 53 12.804 2.638 1.556 1.00 44.35 O ATOM 972 CG2 THR A 53 13.572 4.837 0.988 1.00 4.54 C ATOM 0 H THR A 53 10.197 2.661 0.341 1.00 22.12 H new ATOM 0 HA THR A 53 11.097 4.504 2.400 1.00 13.34 H new ATOM 0 HB THR A 53 12.313 3.629 -0.216 1.00 54.14 H new ATOM 0 HG1 THR A 53 13.685 2.336 1.249 1.00 44.35 H new ATOM 0 HG21 THR A 53 14.502 4.401 0.624 1.00 4.54 H new ATOM 0 HG22 THR A 53 13.333 5.724 0.401 1.00 4.54 H new ATOM 0 HG23 THR A 53 13.687 5.115 2.035 1.00 4.54 H new ATOM 980 N ALA A 54 10.183 6.567 1.281 1.00 2.35 N ATOM 981 CA ALA A 54 10.016 7.934 0.795 1.00 30.14 C ATOM 982 C ALA A 54 11.367 8.680 0.793 1.00 24.35 C ATOM 983 O ALA A 54 12.374 8.148 1.264 1.00 5.40 O ATOM 984 CB ALA A 54 8.980 8.640 1.685 1.00 75.44 C ATOM 0 H ALA A 54 9.905 6.454 2.256 1.00 2.35 H new ATOM 0 HA ALA A 54 9.659 7.927 -0.235 1.00 30.14 H new ATOM 0 HB1 ALA A 54 8.840 9.664 1.339 1.00 75.44 H new ATOM 0 HB2 ALA A 54 8.031 8.106 1.632 1.00 75.44 H new ATOM 0 HB3 ALA A 54 9.333 8.651 2.716 1.00 75.44 H new ATOM 990 N GLY A 55 11.359 9.916 0.267 1.00 72.42 N ATOM 991 CA GLY A 55 12.535 10.772 0.073 1.00 34.33 C ATOM 992 C GLY A 55 13.127 11.377 1.364 1.00 33.32 C ATOM 993 O GLY A 55 13.815 12.392 1.267 1.00 61.42 O ATOM 0 H GLY A 55 10.497 10.362 -0.047 1.00 72.42 H new ATOM 0 HA2 GLY A 55 13.310 10.190 -0.425 1.00 34.33 H new ATOM 0 HA3 GLY A 55 12.265 11.586 -0.600 1.00 34.33 H new ATOM 997 N SER A 56 12.864 10.799 2.549 1.00 24.25 N ATOM 998 CA SER A 56 13.409 11.226 3.844 1.00 51.21 C ATOM 999 C SER A 56 13.384 10.121 4.913 1.00 11.32 C ATOM 1000 O SER A 56 14.252 10.131 5.786 1.00 13.10 O ATOM 1001 CB SER A 56 12.711 12.510 4.343 1.00 20.12 C ATOM 1002 OG SER A 56 11.333 12.309 4.603 1.00 2.14 O ATOM 0 H SER A 56 12.244 9.993 2.631 1.00 24.25 H new ATOM 0 HA SER A 56 14.462 11.449 3.673 1.00 51.21 H new ATOM 0 HB2 SER A 56 13.202 12.858 5.252 1.00 20.12 H new ATOM 0 HB3 SER A 56 12.826 13.296 3.597 1.00 20.12 H new ATOM 0 HG SER A 56 10.934 13.147 4.918 1.00 2.14 H new ATOM 1008 N LYS A 57 12.401 9.208 4.848 1.00 73.31 N ATOM 1009 CA LYS A 57 12.207 8.138 5.826 1.00 20.53 C ATOM 1010 C LYS A 57 11.545 6.919 5.173 1.00 63.12 C ATOM 1011 O LYS A 57 10.969 7.032 4.090 1.00 14.45 O ATOM 1012 CB LYS A 57 11.388 8.655 7.037 1.00 73.21 C ATOM 1013 CG LYS A 57 9.946 9.117 6.715 1.00 2.02 C ATOM 1014 CD LYS A 57 8.964 9.031 7.899 1.00 74.54 C ATOM 1015 CE LYS A 57 8.610 7.585 8.294 1.00 51.10 C ATOM 1016 NZ LYS A 57 7.460 7.529 9.215 1.00 41.34 N1+ ATOM 0 H LYS A 57 11.709 9.197 4.099 1.00 73.31 H new ATOM 0 HA LYS A 57 13.182 7.820 6.196 1.00 20.53 H new ATOM 0 HB2 LYS A 57 11.339 7.864 7.785 1.00 73.21 H new ATOM 0 HB3 LYS A 57 11.926 9.488 7.489 1.00 73.21 H new ATOM 0 HG2 LYS A 57 9.979 10.148 6.362 1.00 2.02 H new ATOM 0 HG3 LYS A 57 9.559 8.512 5.895 1.00 2.02 H new ATOM 0 HD2 LYS A 57 9.398 9.539 8.760 1.00 74.54 H new ATOM 0 HD3 LYS A 57 8.049 9.564 7.642 1.00 74.54 H new ATOM 0 HE2 LYS A 57 8.384 7.009 7.397 1.00 51.10 H new ATOM 0 HE3 LYS A 57 9.474 7.116 8.764 1.00 51.10 H new ATOM 0 HZ1 LYS A 57 7.256 6.538 9.455 1.00 41.34 H new ATOM 0 HZ2 LYS A 57 7.684 8.056 10.083 1.00 41.34 H new ATOM 0 HZ3 LYS A 57 6.628 7.953 8.757 1.00 41.34 H new ATOM 1030 N VAL A 58 11.605 5.786 5.885 1.00 22.24 N ATOM 1031 CA VAL A 58 10.940 4.542 5.511 1.00 72.31 C ATOM 1032 C VAL A 58 9.766 4.300 6.476 1.00 12.04 C ATOM 1033 O VAL A 58 9.912 4.529 7.677 1.00 53.43 O ATOM 1034 CB VAL A 58 11.910 3.326 5.605 1.00 15.54 C ATOM 1035 CG1 VAL A 58 11.288 2.014 5.085 1.00 21.52 C ATOM 1036 CG2 VAL A 58 13.236 3.589 4.870 1.00 53.14 C ATOM 0 H VAL A 58 12.131 5.713 6.756 1.00 22.24 H new ATOM 0 HA VAL A 58 10.596 4.635 4.481 1.00 72.31 H new ATOM 0 HB VAL A 58 12.110 3.204 6.670 1.00 15.54 H new ATOM 0 HG11 VAL A 58 12.013 1.206 5.177 1.00 21.52 H new ATOM 0 HG12 VAL A 58 10.401 1.774 5.671 1.00 21.52 H new ATOM 0 HG13 VAL A 58 11.009 2.133 4.038 1.00 21.52 H new ATOM 0 HG21 VAL A 58 13.882 2.716 4.961 1.00 53.14 H new ATOM 0 HG22 VAL A 58 13.036 3.784 3.816 1.00 53.14 H new ATOM 0 HG23 VAL A 58 13.731 4.454 5.311 1.00 53.14 H new ATOM 1046 N ILE A 59 8.637 3.825 5.930 1.00 52.34 N ATOM 1047 CA ILE A 59 7.468 3.388 6.689 1.00 63.31 C ATOM 1048 C ILE A 59 7.439 1.851 6.609 1.00 31.44 C ATOM 1049 O ILE A 59 7.305 1.318 5.508 1.00 30.30 O ATOM 1050 CB ILE A 59 6.127 3.932 6.095 1.00 40.23 C ATOM 1051 CG1 ILE A 59 6.074 5.478 6.018 1.00 32.22 C ATOM 1052 CG2 ILE A 59 4.910 3.445 6.913 1.00 4.45 C ATOM 1053 CD1 ILE A 59 6.838 6.105 4.838 1.00 31.01 C ATOM 0 H ILE A 59 8.514 3.734 4.922 1.00 52.34 H new ATOM 0 HA ILE A 59 7.549 3.765 7.709 1.00 63.31 H new ATOM 0 HB ILE A 59 6.085 3.536 5.080 1.00 40.23 H new ATOM 0 HG12 ILE A 59 5.030 5.787 5.959 1.00 32.22 H new ATOM 0 HG13 ILE A 59 6.475 5.885 6.946 1.00 32.22 H new ATOM 0 HG21 ILE A 59 3.994 3.841 6.474 1.00 4.45 H new ATOM 0 HG22 ILE A 59 4.876 2.356 6.902 1.00 4.45 H new ATOM 0 HG23 ILE A 59 5.000 3.795 7.942 1.00 4.45 H new ATOM 0 HD11 ILE A 59 6.738 7.190 4.875 1.00 31.01 H new ATOM 0 HD12 ILE A 59 7.892 5.835 4.902 1.00 31.01 H new ATOM 0 HD13 ILE A 59 6.425 5.735 3.900 1.00 31.01 H new ATOM 1065 N GLN A 60 7.565 1.179 7.767 1.00 13.05 N ATOM 1066 CA GLN A 60 7.504 -0.281 7.882 1.00 21.24 C ATOM 1067 C GLN A 60 6.179 -0.675 8.546 1.00 24.42 C ATOM 1068 O GLN A 60 5.754 -0.018 9.498 1.00 55.10 O ATOM 1069 CB GLN A 60 8.669 -0.818 8.744 1.00 12.44 C ATOM 1070 CG GLN A 60 10.071 -0.333 8.320 1.00 71.21 C ATOM 1071 CD GLN A 60 10.657 0.680 9.303 1.00 60.43 C ATOM 1072 OE1 GLN A 60 10.875 0.365 10.469 1.00 22.25 O ATOM 1073 NE2 GLN A 60 10.925 1.900 8.838 1.00 2.35 N ATOM 0 H GLN A 60 7.714 1.647 8.661 1.00 13.05 H new ATOM 0 HA GLN A 60 7.579 -0.710 6.883 1.00 21.24 H new ATOM 0 HB2 GLN A 60 8.498 -0.527 9.780 1.00 12.44 H new ATOM 0 HB3 GLN A 60 8.653 -1.907 8.712 1.00 12.44 H new ATOM 0 HG2 GLN A 60 10.741 -1.189 8.242 1.00 71.21 H new ATOM 0 HG3 GLN A 60 10.013 0.118 7.329 1.00 71.21 H new ATOM 0 HE21 GLN A 60 10.731 2.128 7.863 1.00 2.35 H new ATOM 0 HE22 GLN A 60 11.324 2.606 9.457 1.00 2.35 H new ATOM 1082 N ASN A 61 5.582 -1.768 8.053 1.00 15.02 N ATOM 1083 CA ASN A 61 4.365 -2.391 8.574 1.00 22.04 C ATOM 1084 C ASN A 61 4.477 -3.913 8.421 1.00 12.24 C ATOM 1085 O ASN A 61 5.217 -4.398 7.564 1.00 1.30 O ATOM 1086 CB ASN A 61 3.128 -1.882 7.792 1.00 74.13 C ATOM 1087 CG ASN A 61 2.791 -0.414 8.051 1.00 14.54 C ATOM 1088 OD1 ASN A 61 2.502 -0.031 9.182 1.00 4.23 O ATOM 1089 ND2 ASN A 61 2.807 0.409 7.000 1.00 71.34 N ATOM 0 H ASN A 61 5.954 -2.263 7.242 1.00 15.02 H new ATOM 0 HA ASN A 61 4.248 -2.130 9.626 1.00 22.04 H new ATOM 0 HB2 ASN A 61 3.303 -2.022 6.725 1.00 74.13 H new ATOM 0 HB3 ASN A 61 2.266 -2.494 8.057 1.00 74.13 H new ATOM 0 HD21 ASN A 61 2.574 1.395 7.120 1.00 71.34 H new ATOM 0 HD22 ASN A 61 3.052 0.052 6.077 1.00 71.34 H new ATOM 1096 N GLU A 62 3.678 -4.631 9.222 1.00 11.32 N ATOM 1097 CA GLU A 62 3.439 -6.061 9.062 1.00 10.11 C ATOM 1098 C GLU A 62 1.996 -6.387 9.457 1.00 4.42 C ATOM 1099 O GLU A 62 1.440 -5.768 10.365 1.00 11.11 O ATOM 1100 CB GLU A 62 4.496 -6.892 9.829 1.00 64.34 C ATOM 1101 CG GLU A 62 4.302 -8.421 9.708 1.00 12.24 C ATOM 1102 CD GLU A 62 5.473 -9.215 10.279 1.00 52.11 C ATOM 1103 OE1 GLU A 62 5.719 -9.091 11.497 1.00 25.35 O ATOM 1104 OE2 GLU A 62 6.128 -9.918 9.477 1.00 52.24 O1- ATOM 0 H GLU A 62 3.175 -4.223 10.010 1.00 11.32 H new ATOM 0 HA GLU A 62 3.555 -6.341 8.015 1.00 10.11 H new ATOM 0 HB2 GLU A 62 5.487 -6.631 9.458 1.00 64.34 H new ATOM 0 HB3 GLU A 62 4.467 -6.615 10.883 1.00 64.34 H new ATOM 0 HG2 GLU A 62 3.387 -8.708 10.227 1.00 12.24 H new ATOM 0 HG3 GLU A 62 4.169 -8.683 8.658 1.00 12.24 H new ATOM 1111 N PHE A 63 1.437 -7.384 8.763 1.00 45.12 N ATOM 1112 CA PHE A 63 0.134 -7.973 9.033 1.00 45.42 C ATOM 1113 C PHE A 63 0.153 -9.454 8.645 1.00 52.20 C ATOM 1114 O PHE A 63 1.103 -9.922 8.016 1.00 63.22 O ATOM 1115 CB PHE A 63 -0.975 -7.169 8.311 1.00 33.31 C ATOM 1116 CG PHE A 63 -0.934 -7.130 6.792 1.00 72.14 C ATOM 1117 CD1 PHE A 63 -1.505 -8.172 6.027 1.00 42.32 C ATOM 1118 CD2 PHE A 63 -0.212 -6.115 6.132 1.00 4.21 C ATOM 1119 CE1 PHE A 63 -1.400 -8.157 4.645 1.00 33.11 C ATOM 1120 CE2 PHE A 63 -0.148 -6.100 4.746 1.00 1.52 C ATOM 1121 CZ PHE A 63 -0.740 -7.115 4.006 1.00 51.51 C ATOM 0 H PHE A 63 1.905 -7.816 7.966 1.00 45.12 H new ATOM 0 HA PHE A 63 -0.091 -7.922 10.098 1.00 45.42 H new ATOM 0 HB2 PHE A 63 -1.939 -7.580 8.612 1.00 33.31 H new ATOM 0 HB3 PHE A 63 -0.938 -6.142 8.675 1.00 33.31 H new ATOM 0 HD1 PHE A 63 -2.024 -8.981 6.520 1.00 42.32 H new ATOM 0 HD2 PHE A 63 0.291 -5.350 6.705 1.00 4.21 H new ATOM 0 HE1 PHE A 63 -1.833 -8.958 4.063 1.00 33.11 H new ATOM 0 HE2 PHE A 63 0.365 -5.295 4.240 1.00 1.52 H new ATOM 0 HZ PHE A 63 -0.687 -7.094 2.928 1.00 51.51 H new ATOM 1131 N THR A 64 -0.927 -10.154 9.013 1.00 74.12 N ATOM 1132 CA THR A 64 -1.223 -11.507 8.557 1.00 13.51 C ATOM 1133 C THR A 64 -2.549 -11.453 7.784 1.00 22.02 C ATOM 1134 O THR A 64 -3.493 -10.821 8.258 1.00 1.35 O ATOM 1135 CB THR A 64 -1.370 -12.488 9.747 1.00 73.13 C ATOM 1136 OG1 THR A 64 -0.206 -12.450 10.540 1.00 42.04 O ATOM 1137 CG2 THR A 64 -1.602 -13.952 9.351 1.00 4.13 C ATOM 0 H THR A 64 -1.632 -9.782 9.650 1.00 74.12 H new ATOM 0 HA THR A 64 -0.405 -11.864 7.931 1.00 13.51 H new ATOM 0 HB THR A 64 -2.258 -12.149 10.281 1.00 73.13 H new ATOM 0 HG1 THR A 64 -0.302 -13.071 11.292 1.00 42.04 H new ATOM 0 HG21 THR A 64 -1.692 -14.562 10.250 1.00 4.13 H new ATOM 0 HG22 THR A 64 -2.518 -14.030 8.766 1.00 4.13 H new ATOM 0 HG23 THR A 64 -0.760 -14.306 8.756 1.00 4.13 H new ATOM 1145 N VAL A 65 -2.584 -12.077 6.593 1.00 11.41 N ATOM 1146 CA VAL A 65 -3.742 -12.074 5.691 1.00 33.33 C ATOM 1147 C VAL A 65 -4.962 -12.742 6.360 1.00 61.03 C ATOM 1148 O VAL A 65 -4.824 -13.825 6.925 1.00 22.11 O ATOM 1149 CB VAL A 65 -3.421 -12.806 4.353 1.00 72.44 C ATOM 1150 CG1 VAL A 65 -4.625 -12.948 3.394 1.00 42.20 C ATOM 1151 CG2 VAL A 65 -2.267 -12.117 3.601 1.00 40.35 C ATOM 0 H VAL A 65 -1.792 -12.606 6.227 1.00 11.41 H new ATOM 0 HA VAL A 65 -3.977 -11.032 5.473 1.00 33.33 H new ATOM 0 HB VAL A 65 -3.134 -13.812 4.658 1.00 72.44 H new ATOM 0 HG11 VAL A 65 -4.310 -13.469 2.490 1.00 42.20 H new ATOM 0 HG12 VAL A 65 -5.415 -13.517 3.884 1.00 42.20 H new ATOM 0 HG13 VAL A 65 -5.000 -11.959 3.131 1.00 42.20 H new ATOM 0 HG21 VAL A 65 -2.068 -12.652 2.672 1.00 40.35 H new ATOM 0 HG22 VAL A 65 -2.544 -11.087 3.375 1.00 40.35 H new ATOM 0 HG23 VAL A 65 -1.372 -12.124 4.223 1.00 40.35 H new ATOM 1161 N GLY A 66 -6.115 -12.057 6.325 1.00 55.35 N ATOM 1162 CA GLY A 66 -7.355 -12.500 6.967 1.00 0.44 C ATOM 1163 C GLY A 66 -7.398 -12.238 8.484 1.00 33.05 C ATOM 1164 O GLY A 66 -8.463 -12.411 9.073 1.00 40.34 O ATOM 0 H GLY A 66 -6.210 -11.164 5.840 1.00 55.35 H new ATOM 0 HA2 GLY A 66 -8.198 -11.994 6.496 1.00 0.44 H new ATOM 0 HA3 GLY A 66 -7.484 -13.567 6.788 1.00 0.44 H new ATOM 1168 N GLU A 67 -6.287 -11.800 9.107 1.00 70.23 N ATOM 1169 CA GLU A 67 -6.224 -11.376 10.507 1.00 22.42 C ATOM 1170 C GLU A 67 -6.224 -9.841 10.566 1.00 3.42 C ATOM 1171 O GLU A 67 -5.789 -9.178 9.621 1.00 51.32 O ATOM 1172 CB GLU A 67 -4.957 -11.934 11.189 1.00 4.45 C ATOM 1173 CG GLU A 67 -4.688 -13.443 10.988 1.00 21.52 C ATOM 1174 CD GLU A 67 -5.807 -14.365 11.475 1.00 43.40 C ATOM 1175 OE1 GLU A 67 -6.087 -15.341 10.742 1.00 55.24 O ATOM 1176 OE2 GLU A 67 -6.348 -14.093 12.570 1.00 21.22 O1- ATOM 0 H GLU A 67 -5.387 -11.732 8.632 1.00 70.23 H new ATOM 0 HA GLU A 67 -7.093 -11.765 11.038 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -4.095 -11.379 10.819 1.00 4.45 H new ATOM 0 HB3 GLU A 67 -5.028 -11.737 12.259 1.00 4.45 H new ATOM 0 HG2 GLU A 67 -4.519 -13.629 9.927 1.00 21.52 H new ATOM 0 HG3 GLU A 67 -3.767 -13.706 11.509 1.00 21.52 H new ATOM 1183 N GLU A 68 -6.736 -9.312 11.684 1.00 62.04 N ATOM 1184 CA GLU A 68 -7.041 -7.897 11.853 1.00 12.35 C ATOM 1185 C GLU A 68 -5.871 -7.161 12.523 1.00 34.40 C ATOM 1186 O GLU A 68 -5.646 -7.319 13.723 1.00 15.45 O ATOM 1187 CB GLU A 68 -8.385 -7.817 12.598 1.00 64.11 C ATOM 1188 CG GLU A 68 -9.007 -6.415 12.647 1.00 10.43 C ATOM 1189 CD GLU A 68 -10.465 -6.503 13.093 1.00 23.43 C ATOM 1190 OE1 GLU A 68 -11.315 -6.726 12.201 1.00 32.13 O ATOM 1191 OE2 GLU A 68 -10.703 -6.379 14.314 1.00 13.42 O1- ATOM 0 H GLU A 68 -6.952 -9.871 12.509 1.00 62.04 H new ATOM 0 HA GLU A 68 -7.156 -7.377 10.902 1.00 12.35 H new ATOM 0 HB2 GLU A 68 -9.091 -8.497 12.121 1.00 64.11 H new ATOM 0 HB3 GLU A 68 -8.241 -8.172 13.618 1.00 64.11 H new ATOM 0 HG2 GLU A 68 -8.445 -5.783 13.335 1.00 10.43 H new ATOM 0 HG3 GLU A 68 -8.947 -5.947 11.664 1.00 10.43 H new ATOM 1198 N CYS A 69 -5.134 -6.405 11.694 1.00 13.21 N ATOM 1199 CA CYS A 69 -3.898 -5.693 12.031 1.00 70.35 C ATOM 1200 C CYS A 69 -4.060 -4.201 11.667 1.00 60.52 C ATOM 1201 O CYS A 69 -5.188 -3.736 11.505 1.00 3.44 O ATOM 1202 CB CYS A 69 -2.692 -6.333 11.305 1.00 55.14 C ATOM 1203 SG CYS A 69 -2.437 -8.055 11.831 1.00 2.14 S ATOM 0 H CYS A 69 -5.401 -6.269 10.719 1.00 13.21 H new ATOM 0 HA CYS A 69 -3.705 -5.769 13.101 1.00 70.35 H new ATOM 0 HB2 CYS A 69 -2.855 -6.301 10.228 1.00 55.14 H new ATOM 0 HB3 CYS A 69 -1.793 -5.752 11.509 1.00 55.14 H new ATOM 0 HG CYS A 69 -1.164 -8.288 11.950 1.00 2.14 H new ATOM 1209 N GLU A 70 -2.941 -3.461 11.570 1.00 1.31 N ATOM 1210 CA GLU A 70 -2.911 -2.034 11.245 1.00 5.34 C ATOM 1211 C GLU A 70 -1.811 -1.712 10.224 1.00 21.04 C ATOM 1212 O GLU A 70 -0.821 -2.437 10.113 1.00 4.41 O ATOM 1213 CB GLU A 70 -2.792 -1.180 12.534 1.00 62.11 C ATOM 1214 CG GLU A 70 -1.436 -1.162 13.282 1.00 33.43 C ATOM 1215 CD GLU A 70 -1.110 -2.465 14.016 1.00 43.03 C ATOM 1216 OE1 GLU A 70 -1.354 -2.499 15.242 1.00 55.11 O ATOM 1217 OE2 GLU A 70 -0.624 -3.401 13.345 1.00 1.21 O1- ATOM 0 H GLU A 70 -2.012 -3.854 11.720 1.00 1.31 H new ATOM 0 HA GLU A 70 -3.857 -1.772 10.770 1.00 5.34 H new ATOM 0 HB2 GLU A 70 -3.042 -0.151 12.275 1.00 62.11 H new ATOM 0 HB3 GLU A 70 -3.553 -1.527 13.234 1.00 62.11 H new ATOM 0 HG2 GLU A 70 -0.641 -0.952 12.566 1.00 33.43 H new ATOM 0 HG3 GLU A 70 -1.441 -0.344 14.002 1.00 33.43 H new ATOM 1224 N LEU A 71 -2.029 -0.599 9.507 1.00 63.25 N ATOM 1225 CA LEU A 71 -1.141 -0.055 8.483 1.00 51.44 C ATOM 1226 C LEU A 71 -0.955 1.447 8.742 1.00 52.25 C ATOM 1227 O LEU A 71 -1.920 2.138 9.069 1.00 41.12 O ATOM 1228 CB LEU A 71 -1.754 -0.304 7.082 1.00 12.12 C ATOM 1229 CG LEU A 71 -1.892 -1.793 6.687 1.00 31.25 C ATOM 1230 CD1 LEU A 71 -2.707 -1.951 5.391 1.00 13.24 C ATOM 1231 CD2 LEU A 71 -0.525 -2.497 6.576 1.00 11.34 C ATOM 0 H LEU A 71 -2.868 -0.033 9.635 1.00 63.25 H new ATOM 0 HA LEU A 71 -0.168 -0.545 8.521 1.00 51.44 H new ATOM 0 HB2 LEU A 71 -2.740 0.159 7.045 1.00 12.12 H new ATOM 0 HB3 LEU A 71 -1.137 0.199 6.337 1.00 12.12 H new ATOM 0 HG LEU A 71 -2.437 -2.286 7.492 1.00 31.25 H new ATOM 0 HD11 LEU A 71 -2.787 -3.008 5.138 1.00 13.24 H new ATOM 0 HD12 LEU A 71 -3.704 -1.536 5.535 1.00 13.24 H new ATOM 0 HD13 LEU A 71 -2.207 -1.421 4.580 1.00 13.24 H new ATOM 0 HD21 LEU A 71 -0.674 -3.540 6.297 1.00 11.34 H new ATOM 0 HD22 LEU A 71 0.079 -2.001 5.816 1.00 11.34 H new ATOM 0 HD23 LEU A 71 -0.012 -2.449 7.536 1.00 11.34 H new ATOM 1243 N GLU A 72 0.290 1.920 8.573 1.00 31.40 N ATOM 1244 CA GLU A 72 0.682 3.319 8.714 1.00 14.02 C ATOM 1245 C GLU A 72 0.767 3.980 7.330 1.00 21.53 C ATOM 1246 O GLU A 72 1.395 3.426 6.426 1.00 23.03 O ATOM 1247 CB GLU A 72 2.032 3.389 9.462 1.00 41.41 C ATOM 1248 CG GLU A 72 2.468 4.823 9.834 1.00 41.14 C ATOM 1249 CD GLU A 72 3.719 4.862 10.711 1.00 41.24 C ATOM 1250 OE1 GLU A 72 3.619 4.373 11.859 1.00 4.01 O ATOM 1251 OE2 GLU A 72 4.744 5.391 10.227 1.00 22.04 O1- ATOM 0 H GLU A 72 1.072 1.314 8.326 1.00 31.40 H new ATOM 0 HA GLU A 72 -0.063 3.864 9.293 1.00 14.02 H new ATOM 0 HB2 GLU A 72 1.963 2.793 10.372 1.00 41.41 H new ATOM 0 HB3 GLU A 72 2.804 2.935 8.841 1.00 41.41 H new ATOM 0 HG2 GLU A 72 2.654 5.388 8.921 1.00 41.14 H new ATOM 0 HG3 GLU A 72 1.651 5.321 10.356 1.00 41.14 H new ATOM 1258 N THR A 73 0.165 5.173 7.217 1.00 53.10 N ATOM 1259 CA THR A 73 0.236 6.054 6.046 1.00 22.32 C ATOM 1260 C THR A 73 1.523 6.915 6.094 1.00 73.14 C ATOM 1261 O THR A 73 2.110 7.046 7.168 1.00 51.31 O ATOM 1262 CB THR A 73 -0.999 7.002 6.029 1.00 61.01 C ATOM 1263 OG1 THR A 73 -2.183 6.255 6.235 1.00 25.44 O ATOM 1264 CG2 THR A 73 -1.206 7.790 4.720 1.00 13.44 C ATOM 0 H THR A 73 -0.405 5.564 7.967 1.00 53.10 H new ATOM 0 HA THR A 73 0.248 5.435 5.149 1.00 22.32 H new ATOM 0 HB THR A 73 -0.795 7.720 6.823 1.00 61.01 H new ATOM 0 HG1 THR A 73 -2.956 6.858 6.225 1.00 25.44 H new ATOM 0 HG21 THR A 73 -2.091 8.420 4.811 1.00 13.44 H new ATOM 0 HG22 THR A 73 -0.334 8.415 4.530 1.00 13.44 H new ATOM 0 HG23 THR A 73 -1.340 7.093 3.893 1.00 13.44 H new ATOM 1272 N MET A 74 1.948 7.511 4.962 1.00 65.23 N ATOM 1273 CA MET A 74 3.109 8.420 4.890 1.00 15.22 C ATOM 1274 C MET A 74 3.037 9.645 5.830 1.00 61.53 C ATOM 1275 O MET A 74 4.084 10.096 6.292 1.00 63.41 O ATOM 1276 CB MET A 74 3.348 8.897 3.444 1.00 4.31 C ATOM 1277 CG MET A 74 3.718 7.781 2.457 1.00 63.10 C ATOM 1278 SD MET A 74 4.290 8.419 0.860 1.00 71.13 S ATOM 1279 CE MET A 74 4.573 6.861 -0.012 1.00 42.32 C ATOM 0 H MET A 74 1.489 7.373 4.062 1.00 65.23 H new ATOM 0 HA MET A 74 3.948 7.818 5.238 1.00 15.22 H new ATOM 0 HB2 MET A 74 2.448 9.397 3.087 1.00 4.31 H new ATOM 0 HB3 MET A 74 4.145 9.640 3.447 1.00 4.31 H new ATOM 0 HG2 MET A 74 4.498 7.158 2.895 1.00 63.10 H new ATOM 0 HG3 MET A 74 2.851 7.140 2.298 1.00 63.10 H new ATOM 0 HE1 MET A 74 4.828 7.067 -1.051 1.00 42.32 H new ATOM 0 HE2 MET A 74 5.393 6.322 0.463 1.00 42.32 H new ATOM 0 HE3 MET A 74 3.669 6.253 0.026 1.00 42.32 H new ATOM 1289 N THR A 75 1.816 10.127 6.122 1.00 42.10 N ATOM 1290 CA THR A 75 1.531 11.193 7.091 1.00 73.34 C ATOM 1291 C THR A 75 1.708 10.769 8.575 1.00 4.34 C ATOM 1292 O THR A 75 1.744 11.632 9.450 1.00 65.22 O ATOM 1293 CB THR A 75 0.105 11.778 6.840 1.00 44.22 C ATOM 1294 OG1 THR A 75 -0.180 12.888 7.668 1.00 73.25 O ATOM 1295 CG2 THR A 75 -1.050 10.785 7.026 1.00 62.31 C ATOM 0 H THR A 75 0.973 9.770 5.672 1.00 42.10 H new ATOM 0 HA THR A 75 2.281 11.966 6.924 1.00 73.34 H new ATOM 0 HB THR A 75 0.155 12.065 5.790 1.00 44.22 H new ATOM 0 HG1 THR A 75 0.447 12.904 8.421 1.00 73.25 H new ATOM 0 HG21 THR A 75 -1.997 11.287 6.829 1.00 62.31 H new ATOM 0 HG22 THR A 75 -0.930 9.953 6.332 1.00 62.31 H new ATOM 0 HG23 THR A 75 -1.045 10.408 8.049 1.00 62.31 H new ATOM 1303 N GLY A 76 1.863 9.458 8.831 1.00 3.43 N ATOM 1304 CA GLY A 76 2.074 8.884 10.161 1.00 13.34 C ATOM 1305 C GLY A 76 0.751 8.490 10.835 1.00 34.01 C ATOM 1306 O GLY A 76 0.783 8.021 11.972 1.00 72.12 O ATOM 0 H GLY A 76 1.844 8.753 8.094 1.00 3.43 H new ATOM 0 HA2 GLY A 76 2.715 8.006 10.079 1.00 13.34 H new ATOM 0 HA3 GLY A 76 2.599 9.605 10.788 1.00 13.34 H new ATOM 1310 N GLU A 77 -0.396 8.665 10.153 1.00 2.11 N ATOM 1311 CA GLU A 77 -1.724 8.255 10.612 1.00 62.44 C ATOM 1312 C GLU A 77 -1.839 6.722 10.658 1.00 4.12 C ATOM 1313 O GLU A 77 -1.450 6.049 9.703 1.00 42.31 O ATOM 1314 CB GLU A 77 -2.793 8.909 9.711 1.00 1.33 C ATOM 1315 CG GLU A 77 -4.252 8.594 10.101 1.00 21.25 C ATOM 1316 CD GLU A 77 -5.255 9.317 9.201 1.00 24.55 C ATOM 1317 OE1 GLU A 77 -6.032 8.606 8.526 1.00 34.11 O ATOM 1318 OE2 GLU A 77 -5.229 10.567 9.204 1.00 2.32 O1- ATOM 0 H GLU A 77 -0.418 9.112 9.236 1.00 2.11 H new ATOM 0 HA GLU A 77 -1.889 8.600 11.633 1.00 62.44 H new ATOM 0 HB2 GLU A 77 -2.652 9.990 9.731 1.00 1.33 H new ATOM 0 HB3 GLU A 77 -2.629 8.585 8.683 1.00 1.33 H new ATOM 0 HG2 GLU A 77 -4.419 7.519 10.040 1.00 21.25 H new ATOM 0 HG3 GLU A 77 -4.421 8.884 11.138 1.00 21.25 H new ATOM 1325 N LYS A 78 -2.363 6.221 11.785 1.00 34.45 N ATOM 1326 CA LYS A 78 -2.497 4.801 12.098 1.00 62.24 C ATOM 1327 C LYS A 78 -3.954 4.385 11.846 1.00 52.53 C ATOM 1328 O LYS A 78 -4.860 5.044 12.362 1.00 41.41 O ATOM 1329 CB LYS A 78 -2.127 4.591 13.588 1.00 24.04 C ATOM 1330 CG LYS A 78 -0.714 5.073 13.998 1.00 12.42 C ATOM 1331 CD LYS A 78 0.355 3.976 14.123 1.00 34.14 C ATOM 1332 CE LYS A 78 0.564 3.142 12.854 1.00 51.30 C ATOM 1333 NZ LYS A 78 1.793 2.335 12.949 1.00 3.34 N1+ ATOM 0 H LYS A 78 -2.717 6.821 12.529 1.00 34.45 H new ATOM 0 HA LYS A 78 -1.837 4.197 11.475 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -2.862 5.110 14.203 1.00 24.04 H new ATOM 0 HB3 LYS A 78 -2.211 3.529 13.819 1.00 24.04 H new ATOM 0 HG2 LYS A 78 -0.373 5.805 13.265 1.00 12.42 H new ATOM 0 HG3 LYS A 78 -0.790 5.591 14.954 1.00 12.42 H new ATOM 0 HD2 LYS A 78 1.302 4.440 14.397 1.00 34.14 H new ATOM 0 HD3 LYS A 78 0.078 3.309 14.939 1.00 34.14 H new ATOM 0 HE2 LYS A 78 -0.294 2.488 12.699 1.00 51.30 H new ATOM 0 HE3 LYS A 78 0.623 3.800 11.987 1.00 51.30 H new ATOM 0 HZ1 LYS A 78 1.685 1.469 12.383 1.00 3.34 H new ATOM 0 HZ2 LYS A 78 2.599 2.886 12.589 1.00 3.34 H new ATOM 0 HZ3 LYS A 78 1.965 2.080 13.942 1.00 3.34 H new ATOM 1347 N VAL A 79 -4.156 3.307 11.072 1.00 4.14 N ATOM 1348 CA VAL A 79 -5.482 2.802 10.713 1.00 74.43 C ATOM 1349 C VAL A 79 -5.513 1.262 10.720 1.00 74.30 C ATOM 1350 O VAL A 79 -4.702 0.620 10.055 1.00 24.50 O ATOM 1351 CB VAL A 79 -5.968 3.328 9.326 1.00 63.22 C ATOM 1352 CG1 VAL A 79 -6.439 4.791 9.403 1.00 32.44 C ATOM 1353 CG2 VAL A 79 -4.948 3.167 8.179 1.00 71.32 C ATOM 0 H VAL A 79 -3.392 2.759 10.676 1.00 4.14 H new ATOM 0 HA VAL A 79 -6.166 3.180 11.473 1.00 74.43 H new ATOM 0 HB VAL A 79 -6.811 2.683 9.079 1.00 63.22 H new ATOM 0 HG11 VAL A 79 -6.769 5.119 8.417 1.00 32.44 H new ATOM 0 HG12 VAL A 79 -7.267 4.870 10.108 1.00 32.44 H new ATOM 0 HG13 VAL A 79 -5.615 5.421 9.738 1.00 32.44 H new ATOM 0 HG21 VAL A 79 -5.374 3.560 7.256 1.00 71.32 H new ATOM 0 HG22 VAL A 79 -4.038 3.716 8.422 1.00 71.32 H new ATOM 0 HG23 VAL A 79 -4.711 2.111 8.049 1.00 71.32 H new ATOM 1363 N LYS A 80 -6.477 0.710 11.480 1.00 63.33 N ATOM 1364 CA LYS A 80 -6.809 -0.715 11.542 1.00 34.21 C ATOM 1365 C LYS A 80 -7.603 -1.168 10.308 1.00 52.24 C ATOM 1366 O LYS A 80 -8.449 -0.413 9.828 1.00 75.41 O ATOM 1367 CB LYS A 80 -7.603 -0.993 12.844 1.00 34.34 C ATOM 1368 CG LYS A 80 -6.771 -1.657 13.956 1.00 31.13 C ATOM 1369 CD LYS A 80 -7.051 -1.076 15.348 1.00 52.13 C ATOM 1370 CE LYS A 80 -6.407 -1.903 16.469 1.00 31.42 C ATOM 1371 NZ LYS A 80 -6.565 -1.246 17.777 1.00 4.01 N1+ ATOM 0 H LYS A 80 -7.068 1.274 12.091 1.00 63.33 H new ATOM 0 HA LYS A 80 -5.883 -1.290 11.549 1.00 34.21 H new ATOM 0 HB2 LYS A 80 -8.007 -0.052 13.219 1.00 34.34 H new ATOM 0 HB3 LYS A 80 -8.453 -1.633 12.609 1.00 34.34 H new ATOM 0 HG2 LYS A 80 -6.979 -2.727 13.967 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -5.712 -1.541 13.727 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -6.676 -0.053 15.394 1.00 52.13 H new ATOM 0 HD3 LYS A 80 -8.128 -1.028 15.509 1.00 52.13 H new ATOM 0 HE2 LYS A 80 -6.861 -2.893 16.500 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -5.347 -2.045 16.256 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -6.120 -1.829 18.514 1.00 4.01 H new ATOM 0 HZ2 LYS A 80 -6.110 -0.311 17.753 1.00 4.01 H new ATOM 0 HZ3 LYS A 80 -7.577 -1.133 17.989 1.00 4.01 H new ATOM 1385 N THR A 81 -7.345 -2.410 9.866 1.00 10.31 N ATOM 1386 CA THR A 81 -8.046 -3.075 8.766 1.00 71.10 C ATOM 1387 C THR A 81 -7.630 -4.567 8.660 1.00 11.10 C ATOM 1388 O THR A 81 -6.801 -5.039 9.438 1.00 2.42 O ATOM 1389 CB THR A 81 -7.833 -2.337 7.401 1.00 64.15 C ATOM 1390 OG1 THR A 81 -8.700 -2.858 6.414 1.00 65.32 O ATOM 1391 CG2 THR A 81 -6.398 -2.407 6.844 1.00 11.32 C ATOM 0 H THR A 81 -6.619 -2.994 10.281 1.00 10.31 H new ATOM 0 HA THR A 81 -9.111 -3.032 8.993 1.00 71.10 H new ATOM 0 HB THR A 81 -8.048 -1.292 7.623 1.00 64.15 H new ATOM 0 HG1 THR A 81 -9.046 -2.125 5.863 1.00 65.32 H new ATOM 0 HG21 THR A 81 -6.348 -1.868 5.898 1.00 11.32 H new ATOM 0 HG22 THR A 81 -5.709 -1.953 7.556 1.00 11.32 H new ATOM 0 HG23 THR A 81 -6.120 -3.449 6.684 1.00 11.32 H new ATOM 1399 N VAL A 82 -8.220 -5.278 7.687 1.00 12.10 N ATOM 1400 CA VAL A 82 -7.857 -6.624 7.252 1.00 65.00 C ATOM 1401 C VAL A 82 -7.530 -6.554 5.742 1.00 15.30 C ATOM 1402 O VAL A 82 -8.164 -5.784 5.016 1.00 20.31 O ATOM 1403 CB VAL A 82 -9.051 -7.611 7.431 1.00 43.35 C ATOM 1404 CG1 VAL A 82 -8.712 -9.058 7.020 1.00 44.21 C ATOM 1405 CG2 VAL A 82 -9.602 -7.620 8.869 1.00 75.14 C ATOM 0 H VAL A 82 -9.006 -4.903 7.157 1.00 12.10 H new ATOM 0 HA VAL A 82 -7.013 -6.975 7.845 1.00 65.00 H new ATOM 0 HB VAL A 82 -9.818 -7.231 6.756 1.00 43.35 H new ATOM 0 HG11 VAL A 82 -9.585 -9.693 7.169 1.00 44.21 H new ATOM 0 HG12 VAL A 82 -8.423 -9.080 5.969 1.00 44.21 H new ATOM 0 HG13 VAL A 82 -7.888 -9.426 7.631 1.00 44.21 H new ATOM 0 HG21 VAL A 82 -10.431 -8.324 8.936 1.00 75.14 H new ATOM 0 HG22 VAL A 82 -8.814 -7.921 9.559 1.00 75.14 H new ATOM 0 HG23 VAL A 82 -9.952 -6.621 9.131 1.00 75.14 H new ATOM 1415 N VAL A 83 -6.565 -7.372 5.294 1.00 41.31 N ATOM 1416 CA VAL A 83 -6.178 -7.492 3.887 1.00 54.31 C ATOM 1417 C VAL A 83 -6.571 -8.888 3.363 1.00 42.34 C ATOM 1418 O VAL A 83 -6.468 -9.872 4.098 1.00 72.03 O ATOM 1419 CB VAL A 83 -4.643 -7.304 3.709 1.00 63.10 C ATOM 1420 CG1 VAL A 83 -4.165 -7.400 2.242 1.00 45.23 C ATOM 1421 CG2 VAL A 83 -4.158 -5.978 4.331 1.00 52.03 C ATOM 0 H VAL A 83 -6.025 -7.977 5.913 1.00 41.31 H new ATOM 0 HA VAL A 83 -6.695 -6.714 3.326 1.00 54.31 H new ATOM 0 HB VAL A 83 -4.194 -8.142 4.243 1.00 63.10 H new ATOM 0 HG11 VAL A 83 -3.085 -7.258 2.201 1.00 45.23 H new ATOM 0 HG12 VAL A 83 -4.418 -8.381 1.840 1.00 45.23 H new ATOM 0 HG13 VAL A 83 -4.655 -6.628 1.648 1.00 45.23 H new ATOM 0 HG21 VAL A 83 -3.082 -5.881 4.188 1.00 52.03 H new ATOM 0 HG22 VAL A 83 -4.665 -5.143 3.848 1.00 52.03 H new ATOM 0 HG23 VAL A 83 -4.384 -5.972 5.397 1.00 52.03 H new ATOM 1431 N GLN A 84 -7.005 -8.930 2.093 1.00 61.33 N ATOM 1432 CA GLN A 84 -7.375 -10.131 1.343 1.00 41.54 C ATOM 1433 C GLN A 84 -6.587 -10.230 0.028 1.00 4.15 C ATOM 1434 O GLN A 84 -5.968 -9.255 -0.392 1.00 61.00 O ATOM 1435 CB GLN A 84 -8.901 -10.110 1.080 1.00 50.45 C ATOM 1436 CG GLN A 84 -9.748 -10.559 2.285 1.00 14.11 C ATOM 1437 CD GLN A 84 -9.538 -12.037 2.624 1.00 70.34 C ATOM 1438 OE1 GLN A 84 -9.842 -12.913 1.818 1.00 4.12 O ATOM 1439 NE2 GLN A 84 -9.010 -12.319 3.817 1.00 32.13 N ATOM 0 H GLN A 84 -7.111 -8.081 1.537 1.00 61.33 H new ATOM 0 HA GLN A 84 -7.123 -11.013 1.931 1.00 41.54 H new ATOM 0 HB2 GLN A 84 -9.197 -9.100 0.796 1.00 50.45 H new ATOM 0 HB3 GLN A 84 -9.122 -10.757 0.231 1.00 50.45 H new ATOM 0 HG2 GLN A 84 -9.494 -9.950 3.152 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -10.802 -10.384 2.071 1.00 14.11 H new ATOM 0 HE21 GLN A 84 -8.770 -11.564 4.460 1.00 32.13 H new ATOM 0 HE22 GLN A 84 -8.846 -13.289 4.086 1.00 32.13 H new ATOM 1448 N LEU A 85 -6.640 -11.420 -0.590 1.00 40.43 N ATOM 1449 CA LEU A 85 -6.014 -11.744 -1.874 1.00 51.31 C ATOM 1450 C LEU A 85 -7.053 -12.520 -2.701 1.00 54.41 C ATOM 1451 O LEU A 85 -7.714 -13.406 -2.160 1.00 41.12 O ATOM 1452 CB LEU A 85 -4.721 -12.560 -1.598 1.00 65.52 C ATOM 1453 CG LEU A 85 -3.583 -12.419 -2.641 1.00 33.43 C ATOM 1454 CD1 LEU A 85 -2.243 -12.931 -2.069 1.00 3.42 C ATOM 1455 CD2 LEU A 85 -3.882 -13.112 -3.979 1.00 64.25 C ATOM 0 H LEU A 85 -7.142 -12.213 -0.190 1.00 40.43 H new ATOM 0 HA LEU A 85 -5.718 -10.860 -2.439 1.00 51.31 H new ATOM 0 HB2 LEU A 85 -4.331 -12.264 -0.624 1.00 65.52 H new ATOM 0 HB3 LEU A 85 -4.990 -13.614 -1.526 1.00 65.52 H new ATOM 0 HG LEU A 85 -3.508 -11.352 -2.851 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -1.461 -12.821 -2.820 1.00 3.42 H new ATOM 0 HD12 LEU A 85 -1.980 -12.352 -1.184 1.00 3.42 H new ATOM 0 HD13 LEU A 85 -2.341 -13.982 -1.798 1.00 3.42 H new ATOM 0 HD21 LEU A 85 -3.041 -12.970 -4.658 1.00 64.25 H new ATOM 0 HD22 LEU A 85 -4.037 -14.178 -3.810 1.00 64.25 H new ATOM 0 HD23 LEU A 85 -4.781 -12.680 -4.420 1.00 64.25 H new ATOM 1467 N GLU A 86 -7.182 -12.171 -3.993 1.00 40.40 N ATOM 1468 CA GLU A 86 -8.157 -12.758 -4.924 1.00 12.40 C ATOM 1469 C GLU A 86 -7.605 -13.958 -5.729 1.00 63.23 C ATOM 1470 O GLU A 86 -8.184 -14.310 -6.757 1.00 40.13 O ATOM 1471 CB GLU A 86 -8.746 -11.634 -5.809 1.00 41.14 C ATOM 1472 CG GLU A 86 -7.734 -10.929 -6.731 1.00 61.31 C ATOM 1473 CD GLU A 86 -8.376 -9.796 -7.530 1.00 51.24 C ATOM 1474 OE1 GLU A 86 -9.099 -10.112 -8.501 1.00 61.21 O ATOM 1475 OE2 GLU A 86 -8.119 -8.627 -7.170 1.00 12.13 O1- ATOM 0 H GLU A 86 -6.597 -11.457 -4.427 1.00 40.40 H new ATOM 0 HA GLU A 86 -8.966 -13.201 -4.343 1.00 12.40 H new ATOM 0 HB2 GLU A 86 -9.541 -12.056 -6.424 1.00 41.14 H new ATOM 0 HB3 GLU A 86 -9.206 -10.887 -5.162 1.00 41.14 H new ATOM 0 HG2 GLU A 86 -6.915 -10.531 -6.132 1.00 61.31 H new ATOM 0 HG3 GLU A 86 -7.302 -11.657 -7.418 1.00 61.31 H new ATOM 1482 N GLY A 87 -6.509 -14.573 -5.249 1.00 52.41 N ATOM 1483 CA GLY A 87 -5.855 -15.750 -5.833 1.00 62.21 C ATOM 1484 C GLY A 87 -5.131 -15.466 -7.162 1.00 53.52 C ATOM 1485 O GLY A 87 -4.723 -16.418 -7.826 1.00 50.23 O ATOM 0 H GLY A 87 -6.037 -14.246 -4.406 1.00 52.41 H new ATOM 0 HA2 GLY A 87 -5.136 -16.147 -5.116 1.00 62.21 H new ATOM 0 HA3 GLY A 87 -6.603 -16.526 -5.997 1.00 62.21 H new ATOM 1489 N ASP A 88 -4.999 -14.189 -7.556 1.00 71.04 N ATOM 1490 CA ASP A 88 -4.599 -13.765 -8.896 1.00 30.21 C ATOM 1491 C ASP A 88 -3.493 -12.698 -8.791 1.00 42.45 C ATOM 1492 O ASP A 88 -3.565 -11.679 -9.476 1.00 71.24 O ATOM 1493 CB ASP A 88 -5.850 -13.277 -9.678 1.00 73.41 C ATOM 1494 CG ASP A 88 -5.659 -13.111 -11.191 1.00 71.32 C ATOM 1495 OD1 ASP A 88 -6.295 -12.182 -11.737 1.00 25.20 O ATOM 1496 OD2 ASP A 88 -4.962 -13.961 -11.786 1.00 54.44 O1- ATOM 0 H ASP A 88 -5.174 -13.405 -6.928 1.00 71.04 H new ATOM 0 HA ASP A 88 -4.179 -14.600 -9.457 1.00 30.21 H new ATOM 0 HB2 ASP A 88 -6.662 -13.984 -9.507 1.00 73.41 H new ATOM 0 HB3 ASP A 88 -6.167 -12.321 -9.262 1.00 73.41 H new ATOM 1501 N ASN A 89 -2.479 -12.947 -7.934 1.00 55.11 N ATOM 1502 CA ASN A 89 -1.304 -12.086 -7.667 1.00 54.15 C ATOM 1503 C ASN A 89 -1.637 -10.604 -7.367 1.00 13.15 C ATOM 1504 O ASN A 89 -0.858 -9.712 -7.704 1.00 32.05 O ATOM 1505 CB ASN A 89 -0.151 -12.301 -8.700 1.00 72.33 C ATOM 1506 CG ASN A 89 -0.558 -12.478 -10.168 1.00 34.24 C ATOM 1507 OD1 ASN A 89 -0.687 -13.602 -10.646 1.00 23.44 O ATOM 1508 ND2 ASN A 89 -0.769 -11.377 -10.892 1.00 72.24 N ATOM 0 H ASN A 89 -2.456 -13.802 -7.378 1.00 55.11 H new ATOM 0 HA ASN A 89 -0.906 -12.436 -6.715 1.00 54.15 H new ATOM 0 HB2 ASN A 89 0.525 -11.448 -8.636 1.00 72.33 H new ATOM 0 HB3 ASN A 89 0.416 -13.181 -8.397 1.00 72.33 H new ATOM 0 HD21 ASN A 89 -1.046 -11.455 -11.871 1.00 72.24 H new ATOM 0 HD22 ASN A 89 -0.654 -10.457 -10.467 1.00 72.24 H new ATOM 1515 N LYS A 90 -2.805 -10.384 -6.739 1.00 70.41 N ATOM 1516 CA LYS A 90 -3.397 -9.081 -6.460 1.00 43.31 C ATOM 1517 C LYS A 90 -3.961 -9.096 -5.034 1.00 61.44 C ATOM 1518 O LYS A 90 -4.854 -9.894 -4.750 1.00 11.11 O ATOM 1519 CB LYS A 90 -4.518 -8.795 -7.490 1.00 43.14 C ATOM 1520 CG LYS A 90 -4.035 -8.492 -8.924 1.00 44.14 C ATOM 1521 CD LYS A 90 -5.063 -8.876 -10.003 1.00 4.11 C ATOM 1522 CE LYS A 90 -6.277 -7.944 -10.084 1.00 2.42 C ATOM 1523 NZ LYS A 90 -7.374 -8.578 -10.838 1.00 43.54 N1+ ATOM 0 H LYS A 90 -3.383 -11.153 -6.399 1.00 70.41 H new ATOM 0 HA LYS A 90 -2.647 -8.294 -6.541 1.00 43.31 H new ATOM 0 HB2 LYS A 90 -5.186 -9.656 -7.524 1.00 43.14 H new ATOM 0 HB3 LYS A 90 -5.106 -7.948 -7.136 1.00 43.14 H new ATOM 0 HG2 LYS A 90 -3.810 -7.429 -9.008 1.00 44.14 H new ATOM 0 HG3 LYS A 90 -3.105 -9.030 -9.109 1.00 44.14 H new ATOM 0 HD2 LYS A 90 -4.565 -8.889 -10.973 1.00 4.11 H new ATOM 0 HD3 LYS A 90 -5.412 -9.890 -9.810 1.00 4.11 H new ATOM 0 HE2 LYS A 90 -6.617 -7.694 -9.079 1.00 2.42 H new ATOM 0 HE3 LYS A 90 -5.992 -7.009 -10.566 1.00 2.42 H new ATOM 0 HZ1 LYS A 90 -7.927 -7.846 -11.328 1.00 43.54 H new ATOM 0 HZ2 LYS A 90 -6.978 -9.239 -11.537 1.00 43.54 H new ATOM 0 HZ3 LYS A 90 -7.992 -9.097 -10.182 1.00 43.54 H new ATOM 1537 N LEU A 91 -3.449 -8.200 -4.176 1.00 54.14 N ATOM 1538 CA LEU A 91 -3.992 -7.950 -2.838 1.00 71.14 C ATOM 1539 C LEU A 91 -5.012 -6.807 -2.905 1.00 73.50 C ATOM 1540 O LEU A 91 -4.825 -5.868 -3.678 1.00 41.45 O ATOM 1541 CB LEU A 91 -2.860 -7.558 -1.866 1.00 34.10 C ATOM 1542 CG LEU A 91 -1.873 -8.683 -1.502 1.00 33.12 C ATOM 1543 CD1 LEU A 91 -0.552 -8.107 -0.968 1.00 43.11 C ATOM 1544 CD2 LEU A 91 -2.474 -9.678 -0.495 1.00 11.33 C ATOM 0 H LEU A 91 -2.637 -7.624 -4.397 1.00 54.14 H new ATOM 0 HA LEU A 91 -4.474 -8.860 -2.480 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -2.297 -6.734 -2.306 1.00 34.10 H new ATOM 0 HB3 LEU A 91 -3.309 -7.182 -0.947 1.00 34.10 H new ATOM 0 HG LEU A 91 -1.667 -9.233 -2.420 1.00 33.12 H new ATOM 0 HD11 LEU A 91 0.126 -8.923 -0.719 1.00 43.11 H new ATOM 0 HD12 LEU A 91 -0.096 -7.476 -1.731 1.00 43.11 H new ATOM 0 HD13 LEU A 91 -0.748 -7.513 -0.075 1.00 43.11 H new ATOM 0 HD21 LEU A 91 -1.742 -10.453 -0.268 1.00 11.33 H new ATOM 0 HD22 LEU A 91 -2.741 -9.152 0.421 1.00 11.33 H new ATOM 0 HD23 LEU A 91 -3.366 -10.135 -0.923 1.00 11.33 H new ATOM 1556 N VAL A 92 -6.045 -6.897 -2.057 1.00 32.00 N ATOM 1557 CA VAL A 92 -7.091 -5.892 -1.906 1.00 22.23 C ATOM 1558 C VAL A 92 -7.262 -5.587 -0.409 1.00 44.13 C ATOM 1559 O VAL A 92 -7.294 -6.509 0.407 1.00 43.41 O ATOM 1560 CB VAL A 92 -8.455 -6.399 -2.466 1.00 73.14 C ATOM 1561 CG1 VAL A 92 -9.624 -5.410 -2.254 1.00 43.24 C ATOM 1562 CG2 VAL A 92 -8.359 -6.760 -3.961 1.00 33.22 C ATOM 0 H VAL A 92 -6.175 -7.699 -1.440 1.00 32.00 H new ATOM 0 HA VAL A 92 -6.798 -5.002 -2.463 1.00 22.23 H new ATOM 0 HB VAL A 92 -8.677 -7.294 -1.885 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -10.538 -5.833 -2.670 1.00 43.24 H new ATOM 0 HG12 VAL A 92 -9.760 -5.230 -1.188 1.00 43.24 H new ATOM 0 HG13 VAL A 92 -9.399 -4.468 -2.755 1.00 43.24 H new ATOM 0 HG21 VAL A 92 -9.329 -7.109 -4.314 1.00 33.22 H new ATOM 0 HG22 VAL A 92 -8.061 -5.879 -4.530 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -7.618 -7.548 -4.098 1.00 33.22 H new ATOM 1572 N THR A 93 -7.418 -4.296 -0.087 1.00 63.53 N ATOM 1573 CA THR A 93 -7.770 -3.826 1.248 1.00 13.43 C ATOM 1574 C THR A 93 -8.494 -2.474 1.142 1.00 2.45 C ATOM 1575 O THR A 93 -8.191 -1.678 0.254 1.00 12.21 O ATOM 1576 CB THR A 93 -6.529 -3.721 2.183 1.00 65.32 C ATOM 1577 OG1 THR A 93 -6.911 -3.392 3.505 1.00 23.40 O ATOM 1578 CG2 THR A 93 -5.470 -2.685 1.765 1.00 32.30 C ATOM 0 H THR A 93 -7.300 -3.541 -0.762 1.00 63.53 H new ATOM 0 HA THR A 93 -8.437 -4.560 1.699 1.00 13.43 H new ATOM 0 HB THR A 93 -6.081 -4.712 2.109 1.00 65.32 H new ATOM 0 HG1 THR A 93 -7.302 -4.179 3.938 1.00 23.40 H new ATOM 0 HG21 THR A 93 -4.650 -2.693 2.483 1.00 32.30 H new ATOM 0 HG22 THR A 93 -5.088 -2.934 0.775 1.00 32.30 H new ATOM 0 HG23 THR A 93 -5.921 -1.693 1.741 1.00 32.30 H new ATOM 1586 N THR A 94 -9.443 -2.249 2.058 1.00 31.54 N ATOM 1587 CA THR A 94 -10.158 -0.985 2.224 1.00 61.25 C ATOM 1588 C THR A 94 -9.908 -0.450 3.648 1.00 52.21 C ATOM 1589 O THR A 94 -9.230 -1.109 4.434 1.00 72.24 O ATOM 1590 CB THR A 94 -11.683 -1.166 1.990 1.00 73.32 C ATOM 1591 OG1 THR A 94 -12.225 -2.162 2.837 1.00 22.12 O ATOM 1592 CG2 THR A 94 -12.024 -1.516 0.535 1.00 71.41 C ATOM 0 H THR A 94 -9.741 -2.964 2.722 1.00 31.54 H new ATOM 0 HA THR A 94 -9.788 -0.274 1.485 1.00 61.25 H new ATOM 0 HB THR A 94 -12.129 -0.200 2.226 1.00 73.32 H new ATOM 0 HG1 THR A 94 -13.186 -2.250 2.666 1.00 22.12 H new ATOM 0 HG21 THR A 94 -13.103 -1.630 0.432 1.00 71.41 H new ATOM 0 HG22 THR A 94 -11.679 -0.717 -0.122 1.00 71.41 H new ATOM 0 HG23 THR A 94 -11.532 -2.449 0.260 1.00 71.41 H new ATOM 1600 N PHE A 95 -10.394 0.766 3.940 1.00 12.34 N ATOM 1601 CA PHE A 95 -10.188 1.440 5.224 1.00 32.24 C ATOM 1602 C PHE A 95 -11.532 2.012 5.692 1.00 42.34 C ATOM 1603 O PHE A 95 -12.235 1.337 6.444 1.00 52.11 O ATOM 1604 CB PHE A 95 -9.056 2.490 5.105 1.00 51.52 C ATOM 1605 CG PHE A 95 -7.681 1.913 4.809 1.00 14.51 C ATOM 1606 CD1 PHE A 95 -7.263 1.711 3.476 1.00 42.12 C ATOM 1607 CD2 PHE A 95 -6.883 1.406 5.856 1.00 64.50 C ATOM 1608 CE1 PHE A 95 -6.054 1.087 3.208 1.00 24.11 C ATOM 1609 CE2 PHE A 95 -5.669 0.795 5.569 1.00 31.44 C ATOM 1610 CZ PHE A 95 -5.255 0.641 4.252 1.00 4.31 C ATOM 0 H PHE A 95 -10.948 1.313 3.281 1.00 12.34 H new ATOM 0 HA PHE A 95 -9.850 0.742 5.990 1.00 32.24 H new ATOM 0 HB2 PHE A 95 -9.316 3.196 4.316 1.00 51.52 H new ATOM 0 HB3 PHE A 95 -9.005 3.056 6.035 1.00 51.52 H new ATOM 0 HD1 PHE A 95 -7.888 2.044 2.661 1.00 42.12 H new ATOM 0 HD2 PHE A 95 -7.216 1.493 6.880 1.00 64.50 H new ATOM 0 HE1 PHE A 95 -5.734 0.948 2.186 1.00 24.11 H new ATOM 0 HE2 PHE A 95 -5.044 0.438 6.374 1.00 31.44 H new ATOM 0 HZ PHE A 95 -4.306 0.172 4.039 1.00 4.31 H new ATOM 1620 N LYS A 96 -11.871 3.225 5.225 1.00 53.44 N ATOM 1621 CA LYS A 96 -13.171 3.866 5.430 1.00 45.34 C ATOM 1622 C LYS A 96 -13.796 4.182 4.065 1.00 4.11 C ATOM 1623 O LYS A 96 -14.942 3.810 3.819 1.00 13.52 O ATOM 1624 CB LYS A 96 -13.030 5.162 6.265 1.00 23.43 C ATOM 1625 CG LYS A 96 -12.537 4.968 7.711 1.00 21.04 C ATOM 1626 CD LYS A 96 -11.007 5.062 7.864 1.00 75.14 C ATOM 1627 CE LYS A 96 -10.511 4.784 9.289 1.00 20.32 C ATOM 1628 NZ LYS A 96 -10.952 5.819 10.239 1.00 11.43 N1+ ATOM 0 H LYS A 96 -11.227 3.799 4.680 1.00 53.44 H new ATOM 0 HA LYS A 96 -13.816 3.183 5.983 1.00 45.34 H new ATOM 0 HB2 LYS A 96 -12.340 5.831 5.751 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -13.998 5.662 6.294 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -13.003 5.720 8.348 1.00 21.04 H new ATOM 0 HG3 LYS A 96 -12.870 3.994 8.071 1.00 21.04 H new ATOM 0 HD2 LYS A 96 -10.538 4.353 7.181 1.00 75.14 H new ATOM 0 HD3 LYS A 96 -10.681 6.058 7.563 1.00 75.14 H new ATOM 0 HE2 LYS A 96 -10.877 3.811 9.617 1.00 20.32 H new ATOM 0 HE3 LYS A 96 -9.422 4.731 9.290 1.00 20.32 H new ATOM 0 HZ1 LYS A 96 -10.595 5.593 11.189 1.00 11.43 H new ATOM 0 HZ2 LYS A 96 -10.581 6.744 9.941 1.00 11.43 H new ATOM 0 HZ3 LYS A 96 -11.991 5.852 10.258 1.00 11.43 H new ATOM 1642 N ASN A 97 -13.014 4.860 3.211 1.00 10.42 N ATOM 1643 CA ASN A 97 -13.410 5.369 1.894 1.00 75.11 C ATOM 1644 C ASN A 97 -12.242 5.309 0.887 1.00 61.01 C ATOM 1645 O ASN A 97 -12.341 5.916 -0.179 1.00 22.13 O ATOM 1646 CB ASN A 97 -14.034 6.785 2.034 1.00 25.42 C ATOM 1647 CG ASN A 97 -13.181 7.785 2.830 1.00 61.20 C ATOM 1648 OD1 ASN A 97 -13.337 7.910 4.043 1.00 11.33 O ATOM 1649 ND2 ASN A 97 -12.281 8.499 2.152 1.00 5.41 N ATOM 0 H ASN A 97 -12.042 5.077 3.433 1.00 10.42 H new ATOM 0 HA ASN A 97 -14.182 4.720 1.480 1.00 75.11 H new ATOM 0 HB2 ASN A 97 -14.210 7.190 1.037 1.00 25.42 H new ATOM 0 HB3 ASN A 97 -15.007 6.693 2.517 1.00 25.42 H new ATOM 0 HD21 ASN A 97 -11.694 9.176 2.640 1.00 5.41 H new ATOM 0 HD22 ASN A 97 -12.180 8.368 1.146 1.00 5.41 H new ATOM 1656 N ILE A 98 -11.169 4.585 1.247 1.00 61.54 N ATOM 1657 CA ILE A 98 -9.955 4.386 0.463 1.00 2.05 C ATOM 1658 C ILE A 98 -9.930 2.904 0.057 1.00 35.23 C ATOM 1659 O ILE A 98 -9.910 2.054 0.945 1.00 55.31 O ATOM 1660 CB ILE A 98 -8.687 4.679 1.325 1.00 14.22 C ATOM 1661 CG1 ILE A 98 -8.662 6.120 1.882 1.00 63.21 C ATOM 1662 CG2 ILE A 98 -7.356 4.375 0.600 1.00 52.21 C ATOM 1663 CD1 ILE A 98 -7.984 6.230 3.255 1.00 5.42 C ATOM 0 H ILE A 98 -11.131 4.099 2.143 1.00 61.54 H new ATOM 0 HA ILE A 98 -9.951 5.054 -0.398 1.00 2.05 H new ATOM 0 HB ILE A 98 -8.769 3.985 2.161 1.00 14.22 H new ATOM 0 HG12 ILE A 98 -8.142 6.766 1.175 1.00 63.21 H new ATOM 0 HG13 ILE A 98 -9.684 6.490 1.959 1.00 63.21 H new ATOM 0 HG21 ILE A 98 -6.521 4.603 1.262 1.00 52.21 H new ATOM 0 HG22 ILE A 98 -7.324 3.321 0.326 1.00 52.21 H new ATOM 0 HG23 ILE A 98 -7.284 4.986 -0.299 1.00 52.21 H new ATOM 0 HD11 ILE A 98 -8.001 7.268 3.587 1.00 5.42 H new ATOM 0 HD12 ILE A 98 -8.518 5.610 3.975 1.00 5.42 H new ATOM 0 HD13 ILE A 98 -6.951 5.890 3.179 1.00 5.42 H new ATOM 1675 N LYS A 99 -9.946 2.623 -1.255 1.00 53.13 N ATOM 1676 CA LYS A 99 -9.931 1.271 -1.816 1.00 15.10 C ATOM 1677 C LYS A 99 -8.582 1.040 -2.509 1.00 10.35 C ATOM 1678 O LYS A 99 -8.380 1.533 -3.618 1.00 24.53 O ATOM 1679 CB LYS A 99 -11.131 1.113 -2.776 1.00 51.34 C ATOM 1680 CG LYS A 99 -11.281 -0.296 -3.388 1.00 22.43 C ATOM 1681 CD LYS A 99 -12.310 -0.405 -4.530 1.00 32.12 C ATOM 1682 CE LYS A 99 -13.753 -0.012 -4.166 1.00 42.11 C ATOM 1683 NZ LYS A 99 -13.963 1.447 -4.208 1.00 33.01 N1+ ATOM 0 H LYS A 99 -9.970 3.350 -1.970 1.00 53.13 H new ATOM 0 HA LYS A 99 -10.035 0.515 -1.038 1.00 15.10 H new ATOM 0 HB2 LYS A 99 -12.046 1.360 -2.237 1.00 51.34 H new ATOM 0 HB3 LYS A 99 -11.031 1.837 -3.584 1.00 51.34 H new ATOM 0 HG2 LYS A 99 -10.309 -0.618 -3.763 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -11.564 -0.991 -2.597 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -11.978 0.225 -5.355 1.00 32.12 H new ATOM 0 HD3 LYS A 99 -12.313 -1.432 -4.895 1.00 32.12 H new ATOM 0 HE2 LYS A 99 -14.444 -0.496 -4.856 1.00 42.11 H new ATOM 0 HE3 LYS A 99 -13.987 -0.382 -3.168 1.00 42.11 H new ATOM 0 HZ1 LYS A 99 -14.275 1.780 -3.274 1.00 33.01 H new ATOM 0 HZ2 LYS A 99 -13.072 1.919 -4.464 1.00 33.01 H new ATOM 0 HZ3 LYS A 99 -14.690 1.673 -4.917 1.00 33.01 H new ATOM 1697 N SER A 100 -7.692 0.305 -1.828 1.00 21.55 N ATOM 1698 CA SER A 100 -6.323 0.027 -2.256 1.00 50.10 C ATOM 1699 C SER A 100 -6.235 -1.367 -2.889 1.00 4.35 C ATOM 1700 O SER A 100 -6.677 -2.339 -2.277 1.00 70.42 O ATOM 1701 CB SER A 100 -5.404 0.106 -1.023 1.00 11.03 C ATOM 1702 OG SER A 100 -5.347 1.429 -0.535 1.00 24.44 O ATOM 0 H SER A 100 -7.919 -0.126 -0.932 1.00 21.55 H new ATOM 0 HA SER A 100 -6.013 0.759 -3.002 1.00 50.10 H new ATOM 0 HB2 SER A 100 -5.773 -0.560 -0.243 1.00 11.03 H new ATOM 0 HB3 SER A 100 -4.403 -0.235 -1.286 1.00 11.03 H new ATOM 0 HG SER A 100 -4.761 1.463 0.250 1.00 24.44 H new ATOM 1708 N VAL A 101 -5.644 -1.436 -4.092 1.00 45.05 N ATOM 1709 CA VAL A 101 -5.443 -2.669 -4.847 1.00 23.22 C ATOM 1710 C VAL A 101 -3.991 -2.701 -5.358 1.00 63.20 C ATOM 1711 O VAL A 101 -3.645 -1.950 -6.271 1.00 62.11 O ATOM 1712 CB VAL A 101 -6.422 -2.790 -6.054 1.00 2.42 C ATOM 1713 CG1 VAL A 101 -6.197 -4.064 -6.900 1.00 0.50 C ATOM 1714 CG2 VAL A 101 -7.895 -2.729 -5.604 1.00 60.44 C ATOM 0 H VAL A 101 -5.286 -0.611 -4.573 1.00 45.05 H new ATOM 0 HA VAL A 101 -5.643 -3.510 -4.183 1.00 23.22 H new ATOM 0 HB VAL A 101 -6.200 -1.930 -6.686 1.00 2.42 H new ATOM 0 HG11 VAL A 101 -6.911 -4.085 -7.723 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -5.183 -4.061 -7.300 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -6.338 -4.946 -6.275 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -8.545 -2.817 -6.474 1.00 60.44 H new ATOM 0 HG22 VAL A 101 -8.099 -3.548 -4.915 1.00 60.44 H new ATOM 0 HG23 VAL A 101 -8.084 -1.779 -5.104 1.00 60.44 H new ATOM 1724 N THR A 102 -3.178 -3.586 -4.763 1.00 1.42 N ATOM 1725 CA THR A 102 -1.831 -3.922 -5.234 1.00 32.21 C ATOM 1726 C THR A 102 -1.928 -5.033 -6.299 1.00 75.43 C ATOM 1727 O THR A 102 -2.834 -5.862 -6.224 1.00 20.23 O ATOM 1728 CB THR A 102 -0.943 -4.447 -4.072 1.00 51.52 C ATOM 1729 OG1 THR A 102 -0.922 -3.498 -3.024 1.00 54.43 O ATOM 1730 CG2 THR A 102 0.522 -4.752 -4.444 1.00 34.32 C ATOM 0 H THR A 102 -3.447 -4.098 -3.923 1.00 1.42 H new ATOM 0 HA THR A 102 -1.384 -3.018 -5.647 1.00 32.21 H new ATOM 0 HB THR A 102 -1.402 -5.393 -3.783 1.00 51.52 H new ATOM 0 HG1 THR A 102 -0.363 -3.832 -2.292 1.00 54.43 H new ATOM 0 HG21 THR A 102 1.054 -5.112 -3.563 1.00 34.32 H new ATOM 0 HG22 THR A 102 0.549 -5.516 -5.221 1.00 34.32 H new ATOM 0 HG23 THR A 102 1.001 -3.844 -4.811 1.00 34.32 H new ATOM 1738 N GLU A 103 -1.000 -5.025 -7.264 1.00 20.12 N ATOM 1739 CA GLU A 103 -0.967 -5.939 -8.401 1.00 73.42 C ATOM 1740 C GLU A 103 0.493 -6.222 -8.781 1.00 13.32 C ATOM 1741 O GLU A 103 1.201 -5.303 -9.183 1.00 20.43 O ATOM 1742 CB GLU A 103 -1.790 -5.314 -9.552 1.00 53.31 C ATOM 1743 CG GLU A 103 -1.682 -6.031 -10.914 1.00 32.21 C ATOM 1744 CD GLU A 103 -2.435 -5.302 -12.027 1.00 32.03 C ATOM 1745 OE1 GLU A 103 -3.556 -4.820 -11.757 1.00 65.33 O ATOM 1746 OE2 GLU A 103 -1.867 -5.235 -13.140 1.00 34.52 O1- ATOM 0 H GLU A 103 -0.228 -4.358 -7.270 1.00 20.12 H new ATOM 0 HA GLU A 103 -1.418 -6.901 -8.159 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -2.839 -5.293 -9.255 1.00 53.31 H new ATOM 0 HB3 GLU A 103 -1.474 -4.279 -9.680 1.00 53.31 H new ATOM 0 HG2 GLU A 103 -0.631 -6.121 -11.190 1.00 32.21 H new ATOM 0 HG3 GLU A 103 -2.074 -7.044 -10.819 1.00 32.21 H new ATOM 1753 N LEU A 104 0.908 -7.493 -8.684 1.00 42.30 N ATOM 1754 CA LEU A 104 2.237 -7.950 -9.091 1.00 11.24 C ATOM 1755 C LEU A 104 2.145 -8.508 -10.521 1.00 73.12 C ATOM 1756 O LEU A 104 1.315 -9.379 -10.769 1.00 4.51 O ATOM 1757 CB LEU A 104 2.712 -9.006 -8.064 1.00 54.01 C ATOM 1758 CG LEU A 104 4.233 -9.270 -8.029 1.00 32.33 C ATOM 1759 CD1 LEU A 104 4.615 -10.136 -6.821 1.00 75.11 C ATOM 1760 CD2 LEU A 104 4.810 -9.864 -9.317 1.00 4.54 C ATOM 0 H LEU A 104 0.319 -8.240 -8.315 1.00 42.30 H new ATOM 0 HA LEU A 104 2.967 -7.141 -9.104 1.00 11.24 H new ATOM 0 HB2 LEU A 104 2.394 -8.689 -7.071 1.00 54.01 H new ATOM 0 HB3 LEU A 104 2.203 -9.946 -8.276 1.00 54.01 H new ATOM 0 HG LEU A 104 4.687 -8.284 -7.932 1.00 32.33 H new ATOM 0 HD11 LEU A 104 5.692 -10.306 -6.821 1.00 75.11 H new ATOM 0 HD12 LEU A 104 4.329 -9.625 -5.902 1.00 75.11 H new ATOM 0 HD13 LEU A 104 4.096 -11.093 -6.881 1.00 75.11 H new ATOM 0 HD21 LEU A 104 5.883 -10.015 -9.199 1.00 4.54 H new ATOM 0 HD22 LEU A 104 4.330 -10.820 -9.524 1.00 4.54 H new ATOM 0 HD23 LEU A 104 4.629 -9.180 -10.146 1.00 4.54 H new ATOM 1772 N ASN A 105 3.007 -8.016 -11.426 1.00 34.14 N ATOM 1773 CA ASN A 105 3.164 -8.471 -12.814 1.00 71.15 C ATOM 1774 C ASN A 105 4.661 -8.739 -13.053 1.00 24.52 C ATOM 1775 O ASN A 105 5.352 -7.893 -13.619 1.00 10.23 O ATOM 1776 CB ASN A 105 2.615 -7.385 -13.783 1.00 53.44 C ATOM 1777 CG ASN A 105 1.106 -7.402 -14.075 1.00 71.14 C ATOM 1778 OD1 ASN A 105 0.696 -6.954 -15.143 1.00 72.43 O ATOM 1779 ND2 ASN A 105 0.268 -7.902 -13.167 1.00 74.43 N ATOM 0 H ASN A 105 3.644 -7.253 -11.197 1.00 34.14 H new ATOM 0 HA ASN A 105 2.601 -9.386 -12.997 1.00 71.15 H new ATOM 0 HB2 ASN A 105 2.869 -6.407 -13.373 1.00 53.44 H new ATOM 0 HB3 ASN A 105 3.144 -7.480 -14.731 1.00 53.44 H new ATOM 0 HD21 ASN A 105 -0.735 -7.918 -13.353 1.00 74.43 H new ATOM 0 HD22 ASN A 105 0.630 -8.269 -12.287 1.00 74.43 H new ATOM 1786 N GLY A 106 5.133 -9.924 -12.625 1.00 41.51 N ATOM 1787 CA GLY A 106 6.503 -10.404 -12.827 1.00 24.53 C ATOM 1788 C GLY A 106 7.504 -9.553 -12.035 1.00 44.41 C ATOM 1789 O GLY A 106 7.547 -9.619 -10.808 1.00 71.31 O ATOM 0 H GLY A 106 4.552 -10.589 -12.115 1.00 41.51 H new ATOM 0 HA2 GLY A 106 6.577 -11.445 -12.514 1.00 24.53 H new ATOM 0 HA3 GLY A 106 6.751 -10.371 -13.888 1.00 24.53 H new ATOM 1793 N ASP A 107 8.317 -8.769 -12.758 1.00 35.04 N ATOM 1794 CA ASP A 107 9.293 -7.823 -12.214 1.00 74.01 C ATOM 1795 C ASP A 107 8.734 -6.380 -12.160 1.00 4.24 C ATOM 1796 O ASP A 107 9.525 -5.443 -12.107 1.00 62.20 O ATOM 1797 CB ASP A 107 10.672 -7.883 -12.934 1.00 2.23 C ATOM 1798 CG ASP A 107 10.644 -7.777 -14.465 1.00 32.02 C ATOM 1799 OD1 ASP A 107 11.441 -6.961 -14.978 1.00 52.24 O ATOM 1800 OD2 ASP A 107 9.906 -8.561 -15.099 1.00 30.24 O1- ATOM 0 H ASP A 107 8.310 -8.780 -13.778 1.00 35.04 H new ATOM 0 HA ASP A 107 9.475 -8.141 -11.187 1.00 74.01 H new ATOM 0 HB2 ASP A 107 11.296 -7.078 -12.546 1.00 2.23 H new ATOM 0 HB3 ASP A 107 11.158 -8.821 -12.665 1.00 2.23 H new ATOM 1805 N ILE A 108 7.401 -6.209 -12.169 1.00 2.50 N ATOM 1806 CA ILE A 108 6.724 -4.911 -12.077 1.00 64.11 C ATOM 1807 C ILE A 108 5.656 -4.990 -10.970 1.00 2.11 C ATOM 1808 O ILE A 108 4.985 -6.013 -10.843 1.00 22.32 O ATOM 1809 CB ILE A 108 6.015 -4.522 -13.416 1.00 55.52 C ATOM 1810 CG1 ILE A 108 6.934 -4.647 -14.658 1.00 22.44 C ATOM 1811 CG2 ILE A 108 5.354 -3.124 -13.387 1.00 22.33 C ATOM 1812 CD1 ILE A 108 8.176 -3.738 -14.659 1.00 60.45 C ATOM 0 H ILE A 108 6.751 -6.992 -12.242 1.00 2.50 H new ATOM 0 HA ILE A 108 7.478 -4.155 -11.857 1.00 64.11 H new ATOM 0 HB ILE A 108 5.219 -5.261 -13.511 1.00 55.52 H new ATOM 0 HG12 ILE A 108 7.264 -5.683 -14.741 1.00 22.44 H new ATOM 0 HG13 ILE A 108 6.344 -4.427 -15.548 1.00 22.44 H new ATOM 0 HG21 ILE A 108 4.883 -2.924 -14.349 1.00 22.33 H new ATOM 0 HG22 ILE A 108 4.600 -3.094 -12.601 1.00 22.33 H new ATOM 0 HG23 ILE A 108 6.113 -2.367 -13.190 1.00 22.33 H new ATOM 0 HD11 ILE A 108 8.748 -3.905 -15.571 1.00 60.45 H new ATOM 0 HD12 ILE A 108 7.863 -2.695 -14.613 1.00 60.45 H new ATOM 0 HD13 ILE A 108 8.797 -3.969 -13.794 1.00 60.45 H new ATOM 1824 N ILE A 109 5.512 -3.898 -10.203 1.00 40.12 N ATOM 1825 CA ILE A 109 4.465 -3.711 -9.202 1.00 22.33 C ATOM 1826 C ILE A 109 3.605 -2.518 -9.637 1.00 1.23 C ATOM 1827 O ILE A 109 4.040 -1.373 -9.533 1.00 51.11 O ATOM 1828 CB ILE A 109 5.037 -3.408 -7.784 1.00 71.12 C ATOM 1829 CG1 ILE A 109 5.926 -4.547 -7.249 1.00 33.11 C ATOM 1830 CG2 ILE A 109 3.976 -3.021 -6.724 1.00 12.12 C ATOM 1831 CD1 ILE A 109 5.176 -5.800 -6.782 1.00 34.14 C ATOM 0 H ILE A 109 6.143 -3.100 -10.269 1.00 40.12 H new ATOM 0 HA ILE A 109 3.892 -4.636 -9.137 1.00 22.33 H new ATOM 0 HB ILE A 109 5.652 -2.522 -7.942 1.00 71.12 H new ATOM 0 HG12 ILE A 109 6.629 -4.835 -8.031 1.00 33.11 H new ATOM 0 HG13 ILE A 109 6.515 -4.165 -6.416 1.00 33.11 H new ATOM 0 HG21 ILE A 109 4.468 -2.829 -5.770 1.00 12.12 H new ATOM 0 HG22 ILE A 109 3.449 -2.124 -7.048 1.00 12.12 H new ATOM 0 HG23 ILE A 109 3.264 -3.838 -6.607 1.00 12.12 H new ATOM 0 HD11 ILE A 109 5.892 -6.540 -6.425 1.00 34.14 H new ATOM 0 HD12 ILE A 109 4.493 -5.536 -5.974 1.00 34.14 H new ATOM 0 HD13 ILE A 109 4.609 -6.216 -7.615 1.00 34.14 H new ATOM 1843 N THR A 110 2.384 -2.828 -10.083 1.00 33.21 N ATOM 1844 CA THR A 110 1.296 -1.875 -10.261 1.00 2.23 C ATOM 1845 C THR A 110 0.557 -1.726 -8.913 1.00 12.04 C ATOM 1846 O THR A 110 0.437 -2.693 -8.162 1.00 75.51 O ATOM 1847 CB THR A 110 0.307 -2.405 -11.334 1.00 74.14 C ATOM 1848 OG1 THR A 110 0.974 -2.451 -12.582 1.00 72.01 O ATOM 1849 CG2 THR A 110 -0.992 -1.600 -11.522 1.00 2.10 C ATOM 0 H THR A 110 2.122 -3.781 -10.337 1.00 33.21 H new ATOM 0 HA THR A 110 1.691 -0.913 -10.586 1.00 2.23 H new ATOM 0 HB THR A 110 -0.004 -3.383 -10.967 1.00 74.14 H new ATOM 0 HG1 THR A 110 0.360 -2.786 -13.269 1.00 72.01 H new ATOM 0 HG21 THR A 110 -1.600 -2.067 -12.297 1.00 2.10 H new ATOM 0 HG22 THR A 110 -1.548 -1.583 -10.585 1.00 2.10 H new ATOM 0 HG23 THR A 110 -0.748 -0.580 -11.818 1.00 2.10 H new ATOM 1857 N ASN A 111 0.089 -0.510 -8.614 1.00 1.30 N ATOM 1858 CA ASN A 111 -0.610 -0.194 -7.375 1.00 43.31 C ATOM 1859 C ASN A 111 -1.604 0.926 -7.689 1.00 23.34 C ATOM 1860 O ASN A 111 -1.187 1.971 -8.182 1.00 30.24 O ATOM 1861 CB ASN A 111 0.413 0.194 -6.279 1.00 72.52 C ATOM 1862 CG ASN A 111 -0.190 0.244 -4.871 1.00 11.42 C ATOM 1863 OD1 ASN A 111 -0.903 1.183 -4.529 1.00 15.41 O ATOM 1864 ND2 ASN A 111 0.109 -0.758 -4.042 1.00 44.55 N ATOM 0 H ASN A 111 0.189 0.290 -9.238 1.00 1.30 H new ATOM 0 HA ASN A 111 -1.159 -1.051 -6.986 1.00 43.31 H new ATOM 0 HB2 ASN A 111 1.234 -0.523 -6.289 1.00 72.52 H new ATOM 0 HB3 ASN A 111 0.838 1.169 -6.519 1.00 72.52 H new ATOM 0 HD21 ASN A 111 -0.258 -0.759 -3.090 1.00 44.55 H new ATOM 0 HD22 ASN A 111 0.705 -1.522 -4.360 1.00 44.55 H new ATOM 1871 N THR A 112 -2.893 0.674 -7.421 1.00 70.33 N ATOM 1872 CA THR A 112 -3.989 1.595 -7.710 1.00 53.43 C ATOM 1873 C THR A 112 -4.851 1.754 -6.447 1.00 64.33 C ATOM 1874 O THR A 112 -5.391 0.768 -5.947 1.00 23.24 O ATOM 1875 CB THR A 112 -4.881 1.066 -8.865 1.00 52.13 C ATOM 1876 OG1 THR A 112 -4.091 0.919 -10.030 1.00 1.20 O ATOM 1877 CG2 THR A 112 -6.069 1.977 -9.229 1.00 71.42 C ATOM 0 H THR A 112 -3.204 -0.196 -6.988 1.00 70.33 H new ATOM 0 HA THR A 112 -3.565 2.552 -8.014 1.00 53.43 H new ATOM 0 HB THR A 112 -5.293 0.123 -8.506 1.00 52.13 H new ATOM 0 HG1 THR A 112 -4.648 0.583 -10.763 1.00 1.20 H new ATOM 0 HG21 THR A 112 -6.635 1.528 -10.045 1.00 71.42 H new ATOM 0 HG22 THR A 112 -6.716 2.095 -8.360 1.00 71.42 H new ATOM 0 HG23 THR A 112 -5.697 2.953 -9.540 1.00 71.42 H new ATOM 1885 N MET A 113 -4.951 2.999 -5.964 1.00 51.12 N ATOM 1886 CA MET A 113 -5.711 3.401 -4.783 1.00 1.03 C ATOM 1887 C MET A 113 -6.802 4.393 -5.199 1.00 4.14 C ATOM 1888 O MET A 113 -6.559 5.225 -6.070 1.00 24.23 O ATOM 1889 CB MET A 113 -4.762 4.045 -3.754 1.00 21.14 C ATOM 1890 CG MET A 113 -3.670 3.096 -3.231 1.00 14.13 C ATOM 1891 SD MET A 113 -2.454 3.830 -2.100 1.00 42.25 S ATOM 1892 CE MET A 113 -3.518 4.546 -0.819 1.00 63.21 C ATOM 0 H MET A 113 -4.481 3.787 -6.410 1.00 51.12 H new ATOM 0 HA MET A 113 -6.179 2.528 -4.328 1.00 1.03 H new ATOM 0 HB2 MET A 113 -4.287 4.915 -4.208 1.00 21.14 H new ATOM 0 HB3 MET A 113 -5.349 4.407 -2.910 1.00 21.14 H new ATOM 0 HG2 MET A 113 -4.154 2.263 -2.722 1.00 14.13 H new ATOM 0 HG3 MET A 113 -3.137 2.681 -4.086 1.00 14.13 H new ATOM 0 HE1 MET A 113 -2.904 4.886 0.015 1.00 63.21 H new ATOM 0 HE2 MET A 113 -4.068 5.391 -1.233 1.00 63.21 H new ATOM 0 HE3 MET A 113 -4.222 3.792 -0.467 1.00 63.21 H new ATOM 1902 N THR A 114 -7.981 4.294 -4.567 1.00 31.21 N ATOM 1903 CA THR A 114 -9.149 5.113 -4.891 1.00 32.02 C ATOM 1904 C THR A 114 -9.780 5.662 -3.597 1.00 0.44 C ATOM 1905 O THR A 114 -10.574 4.966 -2.963 1.00 11.44 O ATOM 1906 CB THR A 114 -10.205 4.304 -5.696 1.00 42.22 C ATOM 1907 OG1 THR A 114 -9.620 3.817 -6.888 1.00 43.55 O ATOM 1908 CG2 THR A 114 -11.464 5.101 -6.089 1.00 33.33 C ATOM 0 H THR A 114 -8.148 3.634 -3.808 1.00 31.21 H new ATOM 0 HA THR A 114 -8.816 5.943 -5.514 1.00 32.02 H new ATOM 0 HB THR A 114 -10.523 3.505 -5.027 1.00 42.22 H new ATOM 0 HG1 THR A 114 -10.286 3.306 -7.394 1.00 43.55 H new ATOM 0 HG21 THR A 114 -12.143 4.456 -6.647 1.00 33.33 H new ATOM 0 HG22 THR A 114 -11.962 5.461 -5.189 1.00 33.33 H new ATOM 0 HG23 THR A 114 -11.178 5.950 -6.710 1.00 33.33 H new ATOM 1916 N LEU A 115 -9.405 6.902 -3.236 1.00 10.34 N ATOM 1917 CA LEU A 115 -9.986 7.668 -2.131 1.00 5.52 C ATOM 1918 C LEU A 115 -11.062 8.596 -2.703 1.00 24.12 C ATOM 1919 O LEU A 115 -10.712 9.601 -3.320 1.00 22.44 O ATOM 1920 CB LEU A 115 -8.868 8.440 -1.381 1.00 61.42 C ATOM 1921 CG LEU A 115 -9.294 9.143 -0.059 1.00 64.31 C ATOM 1922 CD1 LEU A 115 -8.065 9.507 0.802 1.00 24.21 C ATOM 1923 CD2 LEU A 115 -10.191 10.386 -0.241 1.00 4.21 C ATOM 0 H LEU A 115 -8.666 7.410 -3.723 1.00 10.34 H new ATOM 0 HA LEU A 115 -10.456 7.010 -1.400 1.00 5.52 H new ATOM 0 HB2 LEU A 115 -8.061 7.743 -1.155 1.00 61.42 H new ATOM 0 HB3 LEU A 115 -8.459 9.193 -2.055 1.00 61.42 H new ATOM 0 HG LEU A 115 -9.907 8.403 0.455 1.00 64.31 H new ATOM 0 HD11 LEU A 115 -8.395 9.996 1.718 1.00 24.21 H new ATOM 0 HD12 LEU A 115 -7.515 8.600 1.053 1.00 24.21 H new ATOM 0 HD13 LEU A 115 -7.416 10.182 0.243 1.00 24.21 H new ATOM 0 HD21 LEU A 115 -10.434 10.805 0.735 1.00 4.21 H new ATOM 0 HD22 LEU A 115 -9.663 11.132 -0.835 1.00 4.21 H new ATOM 0 HD23 LEU A 115 -11.110 10.100 -0.752 1.00 4.21 H new ATOM 1935 N GLY A 116 -12.342 8.263 -2.467 1.00 61.13 N ATOM 1936 CA GLY A 116 -13.488 9.065 -2.902 1.00 30.35 C ATOM 1937 C GLY A 116 -13.552 9.111 -4.435 1.00 51.00 C ATOM 1938 O GLY A 116 -13.857 8.100 -5.067 1.00 22.24 O ATOM 0 H GLY A 116 -12.609 7.418 -1.962 1.00 61.13 H new ATOM 0 HA2 GLY A 116 -14.410 8.640 -2.505 1.00 30.35 H new ATOM 0 HA3 GLY A 116 -13.405 10.076 -2.504 1.00 30.35 H new ATOM 1942 N ASP A 117 -13.261 10.294 -5.004 1.00 63.23 N ATOM 1943 CA ASP A 117 -13.208 10.556 -6.446 1.00 14.31 C ATOM 1944 C ASP A 117 -11.749 10.623 -6.972 1.00 43.04 C ATOM 1945 O ASP A 117 -11.556 10.671 -8.187 1.00 1.34 O ATOM 1946 CB ASP A 117 -13.963 11.875 -6.757 1.00 3.04 C ATOM 1947 CG ASP A 117 -14.423 12.026 -8.213 1.00 74.25 C ATOM 1948 OD1 ASP A 117 -14.372 13.175 -8.702 1.00 74.43 O ATOM 1949 OD2 ASP A 117 -14.916 11.022 -8.773 1.00 23.23 O1- ATOM 0 H ASP A 117 -13.049 11.122 -4.448 1.00 63.23 H new ATOM 0 HA ASP A 117 -13.692 9.726 -6.961 1.00 14.31 H new ATOM 0 HB2 ASP A 117 -14.835 11.940 -6.107 1.00 3.04 H new ATOM 0 HB3 ASP A 117 -13.316 12.715 -6.506 1.00 3.04 H new ATOM 1954 N ILE A 118 -10.746 10.629 -6.074 1.00 4.54 N ATOM 1955 CA ILE A 118 -9.319 10.716 -6.405 1.00 44.24 C ATOM 1956 C ILE A 118 -8.771 9.296 -6.632 1.00 5.21 C ATOM 1957 O ILE A 118 -9.006 8.429 -5.792 1.00 5.44 O ATOM 1958 CB ILE A 118 -8.496 11.360 -5.246 1.00 22.24 C ATOM 1959 CG1 ILE A 118 -9.072 12.733 -4.825 1.00 24.45 C ATOM 1960 CG2 ILE A 118 -6.991 11.493 -5.579 1.00 14.20 C ATOM 1961 CD1 ILE A 118 -8.503 13.258 -3.501 1.00 24.45 C ATOM 0 H ILE A 118 -10.916 10.572 -5.070 1.00 4.54 H new ATOM 0 HA ILE A 118 -9.222 11.335 -7.297 1.00 44.24 H new ATOM 0 HB ILE A 118 -8.586 10.672 -4.405 1.00 22.24 H new ATOM 0 HG12 ILE A 118 -8.869 13.460 -5.612 1.00 24.45 H new ATOM 0 HG13 ILE A 118 -10.156 12.652 -4.738 1.00 24.45 H new ATOM 0 HG21 ILE A 118 -6.471 11.947 -4.736 1.00 14.20 H new ATOM 0 HG22 ILE A 118 -6.573 10.505 -5.774 1.00 14.20 H new ATOM 0 HG23 ILE A 118 -6.868 12.120 -6.462 1.00 14.20 H new ATOM 0 HD11 ILE A 118 -8.952 14.224 -3.270 1.00 24.45 H new ATOM 0 HD12 ILE A 118 -8.729 12.552 -2.702 1.00 24.45 H new ATOM 0 HD13 ILE A 118 -7.423 13.372 -3.589 1.00 24.45 H new ATOM 1973 N VAL A 119 -8.051 9.090 -7.749 1.00 72.05 N ATOM 1974 CA VAL A 119 -7.557 7.775 -8.158 1.00 54.42 C ATOM 1975 C VAL A 119 -6.022 7.821 -8.305 1.00 43.45 C ATOM 1976 O VAL A 119 -5.507 7.987 -9.412 1.00 32.12 O ATOM 1977 CB VAL A 119 -8.215 7.297 -9.489 1.00 54.43 C ATOM 1978 CG1 VAL A 119 -7.788 5.866 -9.881 1.00 63.22 C ATOM 1979 CG2 VAL A 119 -9.752 7.355 -9.427 1.00 54.54 C ATOM 0 H VAL A 119 -7.797 9.839 -8.393 1.00 72.05 H new ATOM 0 HA VAL A 119 -7.829 7.056 -7.385 1.00 54.42 H new ATOM 0 HB VAL A 119 -7.858 7.991 -10.250 1.00 54.43 H new ATOM 0 HG11 VAL A 119 -8.275 5.584 -10.814 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -6.706 5.832 -10.011 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -8.081 5.171 -9.094 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -10.168 7.013 -10.375 1.00 54.54 H new ATOM 0 HG22 VAL A 119 -10.108 6.712 -8.622 1.00 54.54 H new ATOM 0 HG23 VAL A 119 -10.070 8.381 -9.240 1.00 54.54 H new ATOM 1989 N PHE A 120 -5.319 7.683 -7.167 1.00 2.03 N ATOM 1990 CA PHE A 120 -3.863 7.562 -7.104 1.00 51.53 C ATOM 1991 C PHE A 120 -3.353 6.251 -7.726 1.00 21.53 C ATOM 1992 O PHE A 120 -3.871 5.186 -7.402 1.00 55.54 O ATOM 1993 CB PHE A 120 -3.379 7.757 -5.651 1.00 62.43 C ATOM 1994 CG PHE A 120 -1.893 7.527 -5.427 1.00 13.04 C ATOM 1995 CD1 PHE A 120 -0.959 8.378 -6.049 1.00 51.13 C ATOM 1996 CD2 PHE A 120 -1.426 6.404 -4.714 1.00 1.44 C ATOM 1997 CE1 PHE A 120 0.397 8.121 -5.936 1.00 44.00 C ATOM 1998 CE2 PHE A 120 -0.060 6.178 -4.589 1.00 45.44 C ATOM 1999 CZ PHE A 120 0.847 7.039 -5.193 1.00 63.23 C ATOM 0 H PHE A 120 -5.763 7.653 -6.249 1.00 2.03 H new ATOM 0 HA PHE A 120 -3.430 8.356 -7.713 1.00 51.53 H new ATOM 0 HB2 PHE A 120 -3.625 8.771 -5.336 1.00 62.43 H new ATOM 0 HB3 PHE A 120 -3.937 7.079 -5.005 1.00 62.43 H new ATOM 0 HD1 PHE A 120 -1.301 9.232 -6.615 1.00 51.13 H new ATOM 0 HD2 PHE A 120 -2.130 5.719 -4.265 1.00 1.44 H new ATOM 0 HE1 PHE A 120 1.109 8.767 -6.429 1.00 44.00 H new ATOM 0 HE2 PHE A 120 0.297 5.331 -4.021 1.00 45.44 H new ATOM 0 HZ PHE A 120 1.907 6.866 -5.084 1.00 63.23 H new ATOM 2009 N LYS A 121 -2.335 6.359 -8.588 1.00 14.14 N ATOM 2010 CA LYS A 121 -1.662 5.236 -9.236 1.00 24.41 C ATOM 2011 C LYS A 121 -0.151 5.351 -9.022 1.00 1.12 C ATOM 2012 O LYS A 121 0.368 6.455 -8.861 1.00 5.40 O ATOM 2013 CB LYS A 121 -2.018 5.225 -10.733 1.00 61.44 C ATOM 2014 CG LYS A 121 -3.451 4.742 -11.014 1.00 13.52 C ATOM 2015 CD LYS A 121 -3.950 5.184 -12.394 1.00 1.43 C ATOM 2016 CE LYS A 121 -5.319 4.587 -12.742 1.00 11.33 C ATOM 2017 NZ LYS A 121 -5.875 5.208 -13.954 1.00 31.52 N1+ ATOM 0 H LYS A 121 -1.947 7.262 -8.860 1.00 14.14 H new ATOM 0 HA LYS A 121 -1.994 4.295 -8.798 1.00 24.41 H new ATOM 0 HB2 LYS A 121 -1.895 6.230 -11.136 1.00 61.44 H new ATOM 0 HB3 LYS A 121 -1.315 4.582 -11.262 1.00 61.44 H new ATOM 0 HG2 LYS A 121 -3.486 3.655 -10.948 1.00 13.52 H new ATOM 0 HG3 LYS A 121 -4.120 5.129 -10.246 1.00 13.52 H new ATOM 0 HD2 LYS A 121 -4.014 6.272 -12.423 1.00 1.43 H new ATOM 0 HD3 LYS A 121 -3.225 4.887 -13.151 1.00 1.43 H new ATOM 0 HE2 LYS A 121 -5.223 3.512 -12.892 1.00 11.33 H new ATOM 0 HE3 LYS A 121 -6.005 4.732 -11.908 1.00 11.33 H new ATOM 0 HZ1 LYS A 121 -6.801 4.786 -14.167 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -5.988 6.230 -13.800 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -5.230 5.048 -14.754 1.00 31.52 H new ATOM 2031 N ARG A 122 0.521 4.192 -9.024 1.00 54.11 N ATOM 2032 CA ARG A 122 1.943 4.060 -8.739 1.00 51.51 C ATOM 2033 C ARG A 122 2.477 2.783 -9.395 1.00 51.43 C ATOM 2034 O ARG A 122 1.892 1.717 -9.217 1.00 64.24 O ATOM 2035 CB ARG A 122 2.154 4.101 -7.209 1.00 71.25 C ATOM 2036 CG ARG A 122 3.608 3.950 -6.742 1.00 23.43 C ATOM 2037 CD ARG A 122 3.800 4.443 -5.301 1.00 72.20 C ATOM 2038 NE ARG A 122 5.149 4.188 -4.782 1.00 11.34 N ATOM 2039 CZ ARG A 122 5.505 3.228 -3.912 1.00 52.00 C ATOM 2040 NH1 ARG A 122 4.615 2.362 -3.407 1.00 71.04 N1+ ATOM 2041 NH2 ARG A 122 6.784 3.146 -3.532 1.00 41.43 N ATOM 0 H ARG A 122 0.072 3.300 -9.230 1.00 54.11 H new ATOM 0 HA ARG A 122 2.511 4.888 -9.162 1.00 51.51 H new ATOM 0 HB2 ARG A 122 1.765 5.046 -6.831 1.00 71.25 H new ATOM 0 HB3 ARG A 122 1.560 3.307 -6.756 1.00 71.25 H new ATOM 0 HG2 ARG A 122 3.904 2.903 -6.810 1.00 23.43 H new ATOM 0 HG3 ARG A 122 4.263 4.511 -7.408 1.00 23.43 H new ATOM 0 HD2 ARG A 122 3.597 5.513 -5.259 1.00 72.20 H new ATOM 0 HD3 ARG A 122 3.070 3.954 -4.656 1.00 72.20 H new ATOM 0 HE ARG A 122 5.892 4.802 -5.116 1.00 11.34 H new ATOM 0 HH11 ARG A 122 3.634 2.420 -3.681 1.00 71.04 H new ATOM 0 HH12 ARG A 122 4.918 1.645 -2.748 1.00 71.04 H new ATOM 0 HH21 ARG A 122 7.469 3.805 -3.902 1.00 41.43 H new ATOM 0 HH22 ARG A 122 7.075 2.424 -2.872 1.00 41.43 H new ATOM 2055 N ILE A 123 3.588 2.928 -10.129 1.00 23.42 N ATOM 2056 CA ILE A 123 4.296 1.845 -10.801 1.00 74.43 C ATOM 2057 C ILE A 123 5.725 1.808 -10.238 1.00 3.34 C ATOM 2058 O ILE A 123 6.384 2.847 -10.172 1.00 11.31 O ATOM 2059 CB ILE A 123 4.382 2.052 -12.346 1.00 53.55 C ATOM 2060 CG1 ILE A 123 2.983 2.242 -12.985 1.00 33.41 C ATOM 2061 CG2 ILE A 123 5.106 0.873 -13.042 1.00 70.43 C ATOM 2062 CD1 ILE A 123 2.547 3.710 -13.120 1.00 23.05 C ATOM 0 H ILE A 123 4.029 3.836 -10.273 1.00 23.42 H new ATOM 0 HA ILE A 123 3.752 0.917 -10.624 1.00 74.43 H new ATOM 0 HB ILE A 123 4.961 2.963 -12.497 1.00 53.55 H new ATOM 0 HG12 ILE A 123 2.982 1.782 -13.973 1.00 33.41 H new ATOM 0 HG13 ILE A 123 2.246 1.709 -12.384 1.00 33.41 H new ATOM 0 HG21 ILE A 123 5.146 1.054 -14.116 1.00 70.43 H new ATOM 0 HG22 ILE A 123 6.120 0.786 -12.651 1.00 70.43 H new ATOM 0 HG23 ILE A 123 4.563 -0.052 -12.850 1.00 70.43 H new ATOM 0 HD11 ILE A 123 1.558 3.755 -13.576 1.00 23.05 H new ATOM 0 HD12 ILE A 123 2.513 4.172 -12.133 1.00 23.05 H new ATOM 0 HD13 ILE A 123 3.260 4.245 -13.747 1.00 23.05 H new ATOM 2074 N SER A 124 6.174 0.603 -9.863 1.00 71.20 N ATOM 2075 CA SER A 124 7.534 0.307 -9.418 1.00 14.32 C ATOM 2076 C SER A 124 8.053 -0.927 -10.183 1.00 44.33 C ATOM 2077 O SER A 124 7.248 -1.692 -10.711 1.00 2.24 O ATOM 2078 CB SER A 124 7.530 0.069 -7.894 1.00 41.23 C ATOM 2079 OG SER A 124 7.242 1.261 -7.193 1.00 61.04 O ATOM 0 H SER A 124 5.573 -0.221 -9.863 1.00 71.20 H new ATOM 0 HA SER A 124 8.199 1.145 -9.627 1.00 14.32 H new ATOM 0 HB2 SER A 124 6.790 -0.691 -7.644 1.00 41.23 H new ATOM 0 HB3 SER A 124 8.501 -0.315 -7.580 1.00 41.23 H new ATOM 0 HG SER A 124 7.244 1.082 -6.229 1.00 61.04 H new ATOM 2085 N LYS A 125 9.384 -1.096 -10.238 1.00 51.44 N ATOM 2086 CA LYS A 125 10.056 -2.176 -10.968 1.00 72.03 C ATOM 2087 C LYS A 125 11.062 -2.884 -10.050 1.00 64.24 C ATOM 2088 O LYS A 125 11.861 -2.216 -9.396 1.00 21.30 O ATOM 2089 CB LYS A 125 10.691 -1.587 -12.249 1.00 73.22 C ATOM 2090 CG LYS A 125 11.411 -2.575 -13.190 1.00 42.33 C ATOM 2091 CD LYS A 125 12.929 -2.673 -12.961 1.00 22.14 C ATOM 2092 CE LYS A 125 13.641 -3.619 -13.941 1.00 53.41 C ATOM 2093 NZ LYS A 125 13.215 -5.019 -13.775 1.00 45.34 N1+ ATOM 0 H LYS A 125 10.035 -0.470 -9.764 1.00 51.44 H new ATOM 0 HA LYS A 125 9.346 -2.942 -11.280 1.00 72.03 H new ATOM 0 HB2 LYS A 125 9.906 -1.088 -12.818 1.00 73.22 H new ATOM 0 HB3 LYS A 125 11.406 -0.820 -11.951 1.00 73.22 H new ATOM 0 HG2 LYS A 125 10.972 -3.565 -13.064 1.00 42.33 H new ATOM 0 HG3 LYS A 125 11.229 -2.274 -14.222 1.00 42.33 H new ATOM 0 HD2 LYS A 125 13.366 -1.678 -13.048 1.00 22.14 H new ATOM 0 HD3 LYS A 125 13.113 -3.014 -11.942 1.00 22.14 H new ATOM 0 HE2 LYS A 125 13.439 -3.299 -14.963 1.00 53.41 H new ATOM 0 HE3 LYS A 125 14.719 -3.549 -13.792 1.00 53.41 H new ATOM 0 HZ1 LYS A 125 13.922 -5.650 -14.204 1.00 45.34 H new ATOM 0 HZ2 LYS A 125 13.126 -5.237 -12.762 1.00 45.34 H new ATOM 0 HZ3 LYS A 125 12.296 -5.160 -14.242 1.00 45.34 H new ATOM 2107 N ARG A 126 11.000 -4.224 -10.039 1.00 3.51 N ATOM 2108 CA ARG A 126 11.823 -5.134 -9.242 1.00 31.02 C ATOM 2109 C ARG A 126 13.277 -5.122 -9.740 1.00 63.35 C ATOM 2110 O ARG A 126 13.505 -5.453 -10.904 1.00 31.35 O ATOM 2111 CB ARG A 126 11.186 -6.544 -9.306 1.00 1.25 C ATOM 2112 CG ARG A 126 11.555 -7.530 -8.176 1.00 25.20 C ATOM 2113 CD ARG A 126 12.905 -8.248 -8.315 1.00 61.54 C ATOM 2114 NE ARG A 126 12.924 -9.165 -9.463 1.00 13.10 N ATOM 2115 CZ ARG A 126 14.023 -9.652 -10.065 1.00 1.14 C ATOM 2116 NH1 ARG A 126 15.255 -9.324 -9.651 1.00 52.44 N1+ ATOM 2117 NH2 ARG A 126 13.883 -10.485 -11.103 1.00 75.52 N ATOM 0 H ARG A 126 10.332 -4.727 -10.623 1.00 3.51 H new ATOM 0 HA ARG A 126 11.855 -4.813 -8.201 1.00 31.02 H new ATOM 0 HB2 ARG A 126 10.102 -6.427 -9.313 1.00 1.25 H new ATOM 0 HB3 ARG A 126 11.464 -6.999 -10.257 1.00 1.25 H new ATOM 0 HG2 ARG A 126 11.553 -6.985 -7.232 1.00 25.20 H new ATOM 0 HG3 ARG A 126 10.771 -8.285 -8.111 1.00 25.20 H new ATOM 0 HD2 ARG A 126 13.699 -7.509 -8.428 1.00 61.54 H new ATOM 0 HD3 ARG A 126 13.115 -8.805 -7.402 1.00 61.54 H new ATOM 0 HE ARG A 126 12.022 -9.459 -9.837 1.00 13.10 H new ATOM 0 HH11 ARG A 126 15.376 -8.690 -8.861 1.00 52.44 H new ATOM 0 HH12 ARG A 126 16.072 -9.708 -10.126 1.00 52.44 H new ATOM 0 HH21 ARG A 126 12.951 -10.743 -11.428 1.00 75.52 H new ATOM 0 HH22 ARG A 126 14.708 -10.862 -11.569 1.00 75.52 H new ATOM 2131 N ILE A 127 14.231 -4.744 -8.867 1.00 3.34 N ATOM 2132 CA ILE A 127 15.650 -4.548 -9.233 1.00 44.01 C ATOM 2133 C ILE A 127 16.361 -5.892 -9.141 1.00 43.14 C ATOM 2134 O ILE A 127 16.092 -6.761 -8.308 1.00 12.22 O ATOM 2135 CB ILE A 127 16.406 -3.477 -8.375 1.00 74.44 C ATOM 2136 CG1 ILE A 127 15.522 -2.360 -7.772 1.00 63.15 C ATOM 2137 CG2 ILE A 127 17.559 -2.850 -9.183 1.00 51.55 C ATOM 2138 CD1 ILE A 127 15.233 -2.616 -6.293 1.00 14.32 C ATOM 0 H ILE A 127 14.039 -4.565 -7.881 1.00 3.34 H new ATOM 0 HA ILE A 127 15.662 -4.154 -10.249 1.00 44.01 H new ATOM 0 HB ILE A 127 16.789 -4.035 -7.521 1.00 74.44 H new ATOM 0 HG12 ILE A 127 16.021 -1.398 -7.886 1.00 63.15 H new ATOM 0 HG13 ILE A 127 14.583 -2.299 -8.323 1.00 63.15 H new ATOM 0 HG21 ILE A 127 18.072 -2.109 -8.570 1.00 51.55 H new ATOM 0 HG22 ILE A 127 18.263 -3.629 -9.476 1.00 51.55 H new ATOM 0 HG23 ILE A 127 17.158 -2.369 -10.075 1.00 51.55 H new ATOM 0 HD11 ILE A 127 14.610 -1.813 -5.900 1.00 14.32 H new ATOM 0 HD12 ILE A 127 14.712 -3.567 -6.183 1.00 14.32 H new ATOM 0 HD13 ILE A 127 16.171 -2.651 -5.740 1.00 14.32 H new