USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 705 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 16 THR OG1 : rot 117:sc= -0.568 USER MOD Set 1.2: A 18 THR OG1 : rot 180:sc= 0.325 USER MOD Single : A 11 GLN : amide:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 153:sc= -2.37 (180deg=-3.34!) USER MOD Single : A 20 LYS NZ :NH3+ -110:sc=-0.00299 (180deg=-0.577) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.667 USER MOD Single : A 23 THR OG1 : rot -98:sc= 1.85 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -45:sc= 0.229 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.046) USER MOD Single : A 36 LYS NZ :NH3+ -151:sc= -1.47 (180deg=-1.6) USER MOD Single : A 37 SER OG : rot -79:sc= 0.195 USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= -4.1! (180deg=-4.85!) USER MOD Single : A 40 GLN : amide:sc= -1.79 K(o=-1.8,f=-3) USER MOD Single : A 42 LYS NZ :NH3+ -153:sc= -0.115 (180deg=-0.625) USER MOD Single : A 49 GLN : amide:sc= -2.75 K(o=-2.7,f=-0.68) USER MOD Single : A 50 GLN : amide:sc= -8.81! C(o=-8.8!,f=-9.7!) USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -0.98 (180deg=-1.69) USER MOD Single : A 58 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 66 SER OG : rot -35:sc= 0.275 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0351 X(o=-0.035,f=-0.17) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 103:sc= -0.644 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 77 HIS : no HD1:sc= -0.3 K(o=-0.3,f=-0.92) USER MOD Single : A 99 LYS NZ :NH3+ 136:sc= -0.939 (180deg=-2.08) USER MOD Single : A 104 SER OG : rot -19:sc= 0.693 USER MOD ----------------------------------------------------------------- ATOM 164 N GLN A 11 103.857 -1.415 -0.035 1.00 0.00 N ATOM 165 CA GLN A 11 102.804 -0.488 -0.432 1.00 0.00 C ATOM 166 C GLN A 11 101.663 -1.227 -1.125 1.00 0.00 C ATOM 167 O GLN A 11 101.866 -1.881 -2.149 1.00 0.00 O ATOM 168 CB GLN A 11 103.379 0.581 -1.365 1.00 0.00 C ATOM 169 CG GLN A 11 104.066 -0.078 -2.567 1.00 0.00 C ATOM 170 CD GLN A 11 105.194 0.815 -3.075 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.368 0.527 -2.844 1.00 0.00 O ATOM 172 NE2 GLN A 11 104.904 1.890 -3.758 1.00 0.00 N ATOM 0 HA GLN A 11 102.408 -0.010 0.464 1.00 0.00 H new ATOM 0 HB2 GLN A 11 102.582 1.240 -1.709 1.00 0.00 H new ATOM 0 HB3 GLN A 11 104.094 1.200 -0.823 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.463 -1.052 -2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 11 103.341 -0.250 -3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 11 103.930 2.126 -3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 11 105.651 2.493 -4.101 1.00 0.00 H new ATOM 181 N ILE A 12 100.462 -1.120 -0.559 1.00 0.00 N ATOM 182 CA ILE A 12 99.297 -1.789 -1.134 1.00 0.00 C ATOM 183 C ILE A 12 98.819 -1.066 -2.386 1.00 0.00 C ATOM 184 O ILE A 12 99.309 0.015 -2.720 1.00 0.00 O ATOM 185 CB ILE A 12 98.150 -1.852 -0.114 1.00 0.00 C ATOM 186 CG1 ILE A 12 97.655 -0.433 0.204 1.00 0.00 C ATOM 187 CG2 ILE A 12 98.636 -2.529 1.170 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.344 -0.512 0.993 1.00 0.00 C ATOM 0 H ILE A 12 100.271 -0.583 0.287 1.00 0.00 H new ATOM 0 HA ILE A 12 99.596 -2.802 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 12 97.329 -2.430 -0.537 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.407 0.105 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.503 0.126 -0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 12 97.819 -2.571 1.891 1.00 0.00 H new ATOM 0 HG22 ILE A 12 98.973 -3.541 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.463 -1.958 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 12 95.994 0.495 1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.593 -1.033 0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.511 -1.054 1.924 1.00 0.00 H new ATOM 200 N PHE A 13 97.840 -1.663 -3.057 1.00 0.00 N ATOM 201 CA PHE A 13 97.269 -1.070 -4.256 1.00 0.00 C ATOM 202 C PHE A 13 95.778 -0.873 -4.049 1.00 0.00 C ATOM 203 O PHE A 13 95.102 -1.746 -3.512 1.00 0.00 O ATOM 204 CB PHE A 13 97.518 -1.973 -5.469 1.00 0.00 C ATOM 205 CG PHE A 13 98.708 -1.458 -6.247 1.00 0.00 C ATOM 206 CD1 PHE A 13 100.007 -1.728 -5.799 1.00 0.00 C ATOM 207 CD2 PHE A 13 98.511 -0.714 -7.417 1.00 0.00 C ATOM 208 CE1 PHE A 13 101.109 -1.253 -6.520 1.00 0.00 C ATOM 209 CE2 PHE A 13 99.613 -0.240 -8.138 1.00 0.00 C ATOM 210 CZ PHE A 13 100.913 -0.510 -7.690 1.00 0.00 C ATOM 0 H PHE A 13 97.427 -2.556 -2.790 1.00 0.00 H new ATOM 0 HA PHE A 13 97.743 -0.107 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 13 97.700 -2.997 -5.142 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.635 -1.994 -6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 13 100.159 -2.303 -4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 13 97.509 -0.506 -7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 13 102.111 -1.460 -6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 13 99.461 0.334 -9.040 1.00 0.00 H new ATOM 0 HZ PHE A 13 101.763 -0.145 -8.247 1.00 0.00 H new ATOM 220 N ALA A 14 95.275 0.282 -4.467 1.00 0.00 N ATOM 221 CA ALA A 14 93.860 0.585 -4.311 1.00 0.00 C ATOM 222 C ALA A 14 93.286 1.133 -5.608 1.00 0.00 C ATOM 223 O ALA A 14 93.953 1.875 -6.331 1.00 0.00 O ATOM 224 CB ALA A 14 93.665 1.607 -3.190 1.00 0.00 C ATOM 0 H ALA A 14 95.822 1.018 -4.913 1.00 0.00 H new ATOM 0 HA ALA A 14 93.336 -0.336 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.603 1.828 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 14 94.050 1.199 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 14 94.203 2.523 -3.435 1.00 0.00 H new ATOM 230 N LYS A 15 92.039 0.772 -5.886 1.00 0.00 N ATOM 231 CA LYS A 15 91.370 1.241 -7.090 1.00 0.00 C ATOM 232 C LYS A 15 89.976 1.746 -6.762 1.00 0.00 C ATOM 233 O LYS A 15 89.170 1.030 -6.165 1.00 0.00 O ATOM 234 CB LYS A 15 91.273 0.124 -8.130 1.00 0.00 C ATOM 235 CG LYS A 15 90.987 0.743 -9.505 1.00 0.00 C ATOM 236 CD LYS A 15 92.153 0.445 -10.452 1.00 0.00 C ATOM 237 CE LYS A 15 91.963 1.203 -11.768 1.00 0.00 C ATOM 238 NZ LYS A 15 90.727 0.722 -12.447 1.00 0.00 N ATOM 0 H LYS A 15 91.475 0.160 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 15 91.962 2.058 -7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 15 92.203 -0.444 -8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.481 -0.574 -7.860 1.00 0.00 H new ATOM 0 HG2 LYS A 15 90.061 0.338 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.849 1.820 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 15 93.094 0.737 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.212 -0.626 -10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 15 91.892 2.274 -11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 15 92.828 1.052 -12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 90.344 1.479 -13.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 90.954 -0.105 -13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 90.020 0.456 -11.733 1.00 0.00 H new ATOM 252 N THR A 16 89.691 2.980 -7.161 1.00 0.00 N ATOM 253 CA THR A 16 88.382 3.559 -6.907 1.00 0.00 C ATOM 254 C THR A 16 87.341 2.905 -7.802 1.00 0.00 C ATOM 255 O THR A 16 87.680 2.273 -8.805 1.00 0.00 O ATOM 256 CB THR A 16 88.402 5.067 -7.164 1.00 0.00 C ATOM 257 OG1 THR A 16 88.651 5.310 -8.540 1.00 0.00 O ATOM 258 CG2 THR A 16 89.492 5.724 -6.313 1.00 0.00 C ATOM 0 H THR A 16 90.341 3.591 -7.656 1.00 0.00 H new ATOM 0 HA THR A 16 88.125 3.383 -5.862 1.00 0.00 H new ATOM 0 HB THR A 16 87.436 5.493 -6.893 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.879 5.765 -8.937 1.00 0.00 H new ATOM 0 HG21 THR A 16 89.502 6.798 -6.500 1.00 0.00 H new ATOM 0 HG22 THR A 16 89.289 5.541 -5.258 1.00 0.00 H new ATOM 0 HG23 THR A 16 90.462 5.301 -6.575 1.00 0.00 H new ATOM 266 N LEU A 17 86.075 3.065 -7.439 1.00 0.00 N ATOM 267 CA LEU A 17 84.986 2.494 -8.219 1.00 0.00 C ATOM 268 C LEU A 17 85.099 2.923 -9.680 1.00 0.00 C ATOM 269 O LEU A 17 84.985 2.103 -10.591 1.00 0.00 O ATOM 270 CB LEU A 17 83.647 2.968 -7.639 1.00 0.00 C ATOM 271 CG LEU A 17 82.515 2.011 -8.030 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.339 1.992 -9.552 1.00 0.00 C ATOM 273 CD2 LEU A 17 82.829 0.597 -7.529 1.00 0.00 C ATOM 0 H LEU A 17 85.778 3.584 -6.612 1.00 0.00 H new ATOM 0 HA LEU A 17 85.042 1.407 -8.171 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.718 3.030 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 17 83.423 3.971 -8.002 1.00 0.00 H new ATOM 0 HG LEU A 17 81.590 2.358 -7.570 1.00 0.00 H new ATOM 0 HD11 LEU A 17 81.532 1.309 -9.816 1.00 0.00 H new ATOM 0 HD12 LEU A 17 82.095 2.995 -9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 17 83.265 1.659 -10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 17 82.020 -0.077 -7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 17 83.761 0.251 -7.976 1.00 0.00 H new ATOM 0 HD23 LEU A 17 82.929 0.609 -6.444 1.00 0.00 H new ATOM 285 N THR A 18 85.321 4.217 -9.891 1.00 0.00 N ATOM 286 CA THR A 18 85.441 4.759 -11.240 1.00 0.00 C ATOM 287 C THR A 18 86.654 4.177 -11.969 1.00 0.00 C ATOM 288 O THR A 18 86.731 4.240 -13.198 1.00 0.00 O ATOM 289 CB THR A 18 85.538 6.285 -11.175 1.00 0.00 C ATOM 290 OG1 THR A 18 86.587 6.659 -10.292 1.00 0.00 O ATOM 291 CG2 THR A 18 84.207 6.849 -10.664 1.00 0.00 C ATOM 0 H THR A 18 85.421 4.908 -9.147 1.00 0.00 H new ATOM 0 HA THR A 18 84.552 4.477 -11.804 1.00 0.00 H new ATOM 0 HB THR A 18 85.748 6.683 -12.168 1.00 0.00 H new ATOM 0 HG1 THR A 18 86.649 7.636 -10.253 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.268 7.936 -10.615 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.405 6.561 -11.343 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.001 6.452 -9.670 1.00 0.00 H new ATOM 299 N GLY A 19 87.582 3.585 -11.216 1.00 0.00 N ATOM 300 CA GLY A 19 88.765 2.969 -11.824 1.00 0.00 C ATOM 301 C GLY A 19 90.017 3.841 -11.712 1.00 0.00 C ATOM 302 O GLY A 19 90.710 4.065 -12.706 1.00 0.00 O ATOM 0 H GLY A 19 87.541 3.518 -10.199 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.954 2.008 -11.345 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.563 2.767 -12.876 1.00 0.00 H new ATOM 306 N LYS A 20 90.320 4.307 -10.501 1.00 0.00 N ATOM 307 CA LYS A 20 91.513 5.129 -10.276 1.00 0.00 C ATOM 308 C LYS A 20 92.575 4.311 -9.542 1.00 0.00 C ATOM 309 O LYS A 20 92.377 3.926 -8.392 1.00 0.00 O ATOM 310 CB LYS A 20 91.159 6.377 -9.457 1.00 0.00 C ATOM 311 CG LYS A 20 92.415 7.229 -9.227 1.00 0.00 C ATOM 312 CD LYS A 20 92.790 7.962 -10.518 1.00 0.00 C ATOM 313 CE LYS A 20 93.930 8.946 -10.236 1.00 0.00 C ATOM 314 NZ LYS A 20 95.154 8.193 -9.838 1.00 0.00 N ATOM 0 H LYS A 20 89.762 4.132 -9.665 1.00 0.00 H new ATOM 0 HA LYS A 20 91.905 5.446 -11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 20 90.403 6.963 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.729 6.083 -8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 20 92.236 7.949 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 20 93.241 6.595 -8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 20 93.095 7.245 -11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 20 91.924 8.495 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 20 94.133 9.547 -11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 20 93.641 9.635 -9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 95.347 8.353 -8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 95.006 7.177 -10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 95.963 8.523 -10.402 1.00 0.00 H new ATOM 328 N THR A 21 93.698 4.051 -10.208 1.00 0.00 N ATOM 329 CA THR A 21 94.778 3.271 -9.601 1.00 0.00 C ATOM 330 C THR A 21 95.658 4.151 -8.719 1.00 0.00 C ATOM 331 O THR A 21 96.309 5.077 -9.205 1.00 0.00 O ATOM 332 CB THR A 21 95.636 2.629 -10.697 1.00 0.00 C ATOM 333 OG1 THR A 21 94.793 2.057 -11.686 1.00 0.00 O ATOM 334 CG2 THR A 21 96.522 1.538 -10.088 1.00 0.00 C ATOM 0 H THR A 21 93.885 4.365 -11.160 1.00 0.00 H new ATOM 0 HA THR A 21 94.330 2.495 -8.981 1.00 0.00 H new ATOM 0 HB THR A 21 96.266 3.392 -11.153 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.342 1.648 -12.387 1.00 0.00 H new ATOM 0 HG21 THR A 21 97.130 1.084 -10.871 1.00 0.00 H new ATOM 0 HG22 THR A 21 97.172 1.978 -9.332 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.895 0.775 -9.628 1.00 0.00 H new ATOM 342 N ILE A 22 95.673 3.857 -7.420 1.00 0.00 N ATOM 343 CA ILE A 22 96.478 4.626 -6.473 1.00 0.00 C ATOM 344 C ILE A 22 97.262 3.691 -5.550 1.00 0.00 C ATOM 345 O ILE A 22 96.688 2.791 -4.934 1.00 0.00 O ATOM 346 CB ILE A 22 95.572 5.539 -5.636 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.619 6.309 -6.561 1.00 0.00 C ATOM 348 CG2 ILE A 22 96.433 6.532 -4.851 1.00 0.00 C ATOM 349 CD1 ILE A 22 93.520 6.972 -5.731 1.00 0.00 C ATOM 0 H ILE A 22 95.139 3.095 -7.001 1.00 0.00 H new ATOM 0 HA ILE A 22 97.185 5.236 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 22 94.991 4.932 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 22 95.171 7.064 -7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 22 94.178 5.630 -7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.790 7.181 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 22 97.108 5.986 -4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 22 97.016 7.137 -5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.845 7.518 -6.390 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.961 6.208 -5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 22 93.969 7.664 -5.019 1.00 0.00 H new ATOM 361 N THR A 23 98.573 3.914 -5.460 1.00 0.00 N ATOM 362 CA THR A 23 99.436 3.092 -4.609 1.00 0.00 C ATOM 363 C THR A 23 99.808 3.854 -3.340 1.00 0.00 C ATOM 364 O THR A 23 100.180 5.027 -3.403 1.00 0.00 O ATOM 365 CB THR A 23 100.710 2.716 -5.372 1.00 0.00 C ATOM 366 OG1 THR A 23 100.365 2.284 -6.681 1.00 0.00 O ATOM 367 CG2 THR A 23 101.443 1.590 -4.637 1.00 0.00 C ATOM 0 H THR A 23 99.061 4.655 -5.964 1.00 0.00 H new ATOM 0 HA THR A 23 98.896 2.186 -4.334 1.00 0.00 H new ATOM 0 HB THR A 23 101.363 3.586 -5.434 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.344 1.305 -6.707 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.348 1.327 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.709 1.923 -3.634 1.00 0.00 H new ATOM 0 HG23 THR A 23 100.794 0.717 -4.569 1.00 0.00 H new ATOM 375 N LEU A 24 99.698 3.190 -2.188 1.00 0.00 N ATOM 376 CA LEU A 24 100.021 3.830 -0.912 1.00 0.00 C ATOM 377 C LEU A 24 100.919 2.941 -0.051 1.00 0.00 C ATOM 378 O LEU A 24 100.694 1.732 0.064 1.00 0.00 O ATOM 379 CB LEU A 24 98.734 4.163 -0.141 1.00 0.00 C ATOM 380 CG LEU A 24 97.633 3.146 -0.476 1.00 0.00 C ATOM 381 CD1 LEU A 24 96.715 2.965 0.737 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.805 3.655 -1.662 1.00 0.00 C ATOM 0 H LEU A 24 99.391 2.220 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 24 100.561 4.750 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.932 4.155 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.399 5.169 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 24 98.093 2.192 -0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 24 95.934 2.243 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 24 97.298 2.602 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 24 96.259 3.921 0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 24 96.024 2.932 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.348 4.610 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 24 97.453 3.785 -2.529 1.00 0.00 H new ATOM 394 N GLU A 25 101.933 3.561 0.559 1.00 0.00 N ATOM 395 CA GLU A 25 102.872 2.845 1.421 1.00 0.00 C ATOM 396 C GLU A 25 102.272 2.640 2.812 1.00 0.00 C ATOM 397 O GLU A 25 102.309 3.540 3.652 1.00 0.00 O ATOM 398 CB GLU A 25 104.178 3.641 1.547 1.00 0.00 C ATOM 399 CG GLU A 25 105.019 3.478 0.276 1.00 0.00 C ATOM 400 CD GLU A 25 106.233 2.595 0.563 1.00 0.00 C ATOM 401 OE1 GLU A 25 106.089 1.384 0.508 1.00 0.00 O ATOM 402 OE2 GLU A 25 107.289 3.144 0.839 1.00 0.00 O ATOM 0 H GLU A 25 102.123 4.559 0.470 1.00 0.00 H new ATOM 0 HA GLU A 25 103.076 1.872 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 25 103.956 4.695 1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 25 104.742 3.294 2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 25 104.415 3.034 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 25 105.345 4.454 -0.082 1.00 0.00 H new ATOM 409 N VAL A 26 101.721 1.452 3.044 1.00 0.00 N ATOM 410 CA VAL A 26 101.112 1.138 4.337 1.00 0.00 C ATOM 411 C VAL A 26 101.769 -0.086 4.967 1.00 0.00 C ATOM 412 O VAL A 26 102.312 -0.945 4.270 1.00 0.00 O ATOM 413 CB VAL A 26 99.611 0.887 4.169 1.00 0.00 C ATOM 414 CG1 VAL A 26 98.931 2.162 3.663 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.388 -0.245 3.164 1.00 0.00 C ATOM 0 H VAL A 26 101.682 0.695 2.361 1.00 0.00 H new ATOM 0 HA VAL A 26 101.264 1.992 4.997 1.00 0.00 H new ATOM 0 HB VAL A 26 99.183 0.605 5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.863 1.982 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.085 2.967 4.382 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.360 2.447 2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.319 -0.422 3.046 1.00 0.00 H new ATOM 0 HG22 VAL A 26 99.818 0.033 2.202 1.00 0.00 H new ATOM 0 HG23 VAL A 26 99.868 -1.154 3.527 1.00 0.00 H new ATOM 425 N GLU A 27 101.706 -0.155 6.294 1.00 0.00 N ATOM 426 CA GLU A 27 102.288 -1.273 7.030 1.00 0.00 C ATOM 427 C GLU A 27 101.505 -2.552 6.750 1.00 0.00 C ATOM 428 O GLU A 27 100.320 -2.501 6.433 1.00 0.00 O ATOM 429 CB GLU A 27 102.267 -0.972 8.532 1.00 0.00 C ATOM 430 CG GLU A 27 102.947 0.377 8.795 1.00 0.00 C ATOM 431 CD GLU A 27 102.297 1.066 9.992 1.00 0.00 C ATOM 432 OE1 GLU A 27 102.547 0.636 11.106 1.00 0.00 O ATOM 433 OE2 GLU A 27 101.557 2.013 9.777 1.00 0.00 O ATOM 0 H GLU A 27 101.258 0.549 6.881 1.00 0.00 H new ATOM 0 HA GLU A 27 103.319 -1.411 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.239 -0.950 8.894 1.00 0.00 H new ATOM 0 HB3 GLU A 27 102.781 -1.763 9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 27 104.010 0.227 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 27 102.867 1.012 7.912 1.00 0.00 H new ATOM 440 N SER A 28 102.170 -3.698 6.870 1.00 0.00 N ATOM 441 CA SER A 28 101.513 -4.980 6.624 1.00 0.00 C ATOM 442 C SER A 28 100.359 -5.192 7.601 1.00 0.00 C ATOM 443 O SER A 28 99.489 -6.030 7.370 1.00 0.00 O ATOM 444 CB SER A 28 102.524 -6.119 6.765 1.00 0.00 C ATOM 445 OG SER A 28 101.944 -7.324 6.281 1.00 0.00 O ATOM 0 H SER A 28 103.153 -3.767 7.133 1.00 0.00 H new ATOM 0 HA SER A 28 101.113 -4.973 5.610 1.00 0.00 H new ATOM 0 HB2 SER A 28 103.430 -5.888 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.815 -6.235 7.809 1.00 0.00 H new ATOM 0 HG SER A 28 102.590 -8.056 6.368 1.00 0.00 H new ATOM 451 N SER A 29 100.380 -4.448 8.705 1.00 0.00 N ATOM 452 CA SER A 29 99.354 -4.565 9.736 1.00 0.00 C ATOM 453 C SER A 29 98.592 -3.252 9.908 1.00 0.00 C ATOM 454 O SER A 29 97.749 -3.131 10.799 1.00 0.00 O ATOM 455 CB SER A 29 100.003 -4.956 11.064 1.00 0.00 C ATOM 456 OG SER A 29 99.008 -5.470 11.941 1.00 0.00 O ATOM 0 H SER A 29 101.100 -3.755 8.908 1.00 0.00 H new ATOM 0 HA SER A 29 98.646 -5.334 9.427 1.00 0.00 H new ATOM 0 HB2 SER A 29 100.778 -5.704 10.897 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.488 -4.090 11.514 1.00 0.00 H new ATOM 0 HG SER A 29 98.219 -4.890 11.916 1.00 0.00 H new ATOM 462 N ASP A 30 98.900 -2.271 9.057 1.00 0.00 N ATOM 463 CA ASP A 30 98.248 -0.960 9.120 1.00 0.00 C ATOM 464 C ASP A 30 96.734 -1.101 9.287 1.00 0.00 C ATOM 465 O ASP A 30 96.160 -2.149 8.991 1.00 0.00 O ATOM 466 CB ASP A 30 98.549 -0.166 7.841 1.00 0.00 C ATOM 467 CG ASP A 30 98.980 1.260 8.179 1.00 0.00 C ATOM 468 OD1 ASP A 30 98.490 1.795 9.161 1.00 0.00 O ATOM 469 OD2 ASP A 30 99.795 1.799 7.448 1.00 0.00 O ATOM 0 H ASP A 30 99.596 -2.359 8.317 1.00 0.00 H new ATOM 0 HA ASP A 30 98.642 -0.429 9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.336 -0.664 7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.664 -0.143 7.205 1.00 0.00 H new ATOM 474 N THR A 31 96.094 -0.029 9.753 1.00 0.00 N ATOM 475 CA THR A 31 94.645 -0.034 9.952 1.00 0.00 C ATOM 476 C THR A 31 93.950 0.693 8.807 1.00 0.00 C ATOM 477 O THR A 31 94.580 1.449 8.067 1.00 0.00 O ATOM 478 CB THR A 31 94.289 0.647 11.279 1.00 0.00 C ATOM 479 OG1 THR A 31 94.442 2.055 11.147 1.00 0.00 O ATOM 480 CG2 THR A 31 95.209 0.135 12.391 1.00 0.00 C ATOM 0 H THR A 31 96.552 0.849 9.998 1.00 0.00 H new ATOM 0 HA THR A 31 94.306 -1.070 9.977 1.00 0.00 H new ATOM 0 HB THR A 31 93.255 0.415 11.534 1.00 0.00 H new ATOM 0 HG1 THR A 31 94.213 2.490 11.995 1.00 0.00 H new ATOM 0 HG21 THR A 31 94.950 0.623 13.331 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.087 -0.943 12.496 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.245 0.360 12.138 1.00 0.00 H new ATOM 488 N ILE A 32 92.646 0.459 8.668 1.00 0.00 N ATOM 489 CA ILE A 32 91.875 1.098 7.608 1.00 0.00 C ATOM 490 C ILE A 32 91.986 2.618 7.703 1.00 0.00 C ATOM 491 O ILE A 32 92.264 3.284 6.709 1.00 0.00 O ATOM 492 CB ILE A 32 90.403 0.677 7.695 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.286 -0.850 7.579 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.606 1.333 6.563 1.00 0.00 C ATOM 495 CD1 ILE A 32 91.080 -1.354 6.369 1.00 0.00 C ATOM 0 H ILE A 32 92.107 -0.163 9.271 1.00 0.00 H new ATOM 0 HA ILE A 32 92.282 0.777 6.649 1.00 0.00 H new ATOM 0 HB ILE A 32 90.002 0.999 8.656 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.659 -1.320 8.489 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.239 -1.135 7.479 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.561 1.030 6.631 1.00 0.00 H new ATOM 0 HG22 ILE A 32 89.676 2.417 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.013 1.019 5.602 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.988 -2.438 6.299 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.688 -0.897 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.130 -1.086 6.485 1.00 0.00 H new ATOM 507 N ASP A 33 91.770 3.164 8.899 1.00 0.00 N ATOM 508 CA ASP A 33 91.855 4.610 9.093 1.00 0.00 C ATOM 509 C ASP A 33 93.119 5.165 8.439 1.00 0.00 C ATOM 510 O ASP A 33 93.068 6.161 7.716 1.00 0.00 O ATOM 511 CB ASP A 33 91.861 4.940 10.589 1.00 0.00 C ATOM 512 CG ASP A 33 91.278 6.332 10.818 1.00 0.00 C ATOM 513 OD1 ASP A 33 91.957 7.296 10.505 1.00 0.00 O ATOM 514 OD2 ASP A 33 90.160 6.413 11.301 1.00 0.00 O ATOM 0 H ASP A 33 91.538 2.634 9.739 1.00 0.00 H new ATOM 0 HA ASP A 33 90.985 5.072 8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 33 91.279 4.198 11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.879 4.895 10.976 1.00 0.00 H new ATOM 519 N ASN A 34 94.247 4.503 8.688 1.00 0.00 N ATOM 520 CA ASN A 34 95.517 4.925 8.105 1.00 0.00 C ATOM 521 C ASN A 34 95.456 4.801 6.586 1.00 0.00 C ATOM 522 O ASN A 34 95.975 5.647 5.860 1.00 0.00 O ATOM 523 CB ASN A 34 96.652 4.056 8.648 1.00 0.00 C ATOM 524 CG ASN A 34 98.000 4.708 8.358 1.00 0.00 C ATOM 525 OD1 ASN A 34 98.562 4.520 7.279 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.556 5.466 9.263 1.00 0.00 N ATOM 0 H ASN A 34 94.307 3.678 9.285 1.00 0.00 H new ATOM 0 HA ASN A 34 95.703 5.965 8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.531 3.917 9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 34 96.613 3.067 8.192 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.458 5.904 9.077 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.088 5.620 10.156 1.00 0.00 H new ATOM 533 N VAL A 35 94.794 3.745 6.123 1.00 0.00 N ATOM 534 CA VAL A 35 94.640 3.517 4.690 1.00 0.00 C ATOM 535 C VAL A 35 93.859 4.676 4.078 1.00 0.00 C ATOM 536 O VAL A 35 94.226 5.201 3.025 1.00 0.00 O ATOM 537 CB VAL A 35 93.909 2.192 4.426 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.703 2.010 2.919 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.741 1.025 4.967 1.00 0.00 C ATOM 0 H VAL A 35 94.358 3.038 6.715 1.00 0.00 H new ATOM 0 HA VAL A 35 95.627 3.457 4.232 1.00 0.00 H new ATOM 0 HB VAL A 35 92.942 2.212 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.184 1.069 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.107 2.836 2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.671 1.995 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.219 0.087 4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.710 1.008 4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 35 94.887 1.149 6.040 1.00 0.00 H new ATOM 549 N LYS A 36 92.788 5.081 4.763 1.00 0.00 N ATOM 550 CA LYS A 36 91.962 6.189 4.298 1.00 0.00 C ATOM 551 C LYS A 36 92.794 7.467 4.232 1.00 0.00 C ATOM 552 O LYS A 36 93.005 8.022 3.157 1.00 0.00 O ATOM 553 CB LYS A 36 90.779 6.401 5.249 1.00 0.00 C ATOM 554 CG LYS A 36 89.952 5.116 5.355 1.00 0.00 C ATOM 555 CD LYS A 36 89.057 5.185 6.599 1.00 0.00 C ATOM 556 CE LYS A 36 87.612 5.485 6.189 1.00 0.00 C ATOM 557 NZ LYS A 36 87.081 6.600 7.024 1.00 0.00 N ATOM 0 H LYS A 36 92.476 4.659 5.637 1.00 0.00 H new ATOM 0 HA LYS A 36 91.585 5.950 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.142 6.691 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.153 7.217 4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 36 89.341 4.989 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 36 90.612 4.250 5.416 1.00 0.00 H new ATOM 0 HD2 LYS A 36 89.101 4.241 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 36 89.420 5.959 7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 36 87.570 5.755 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 36 86.995 4.596 6.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 86.051 6.497 7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 87.527 6.573 7.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 87.294 7.509 6.566 1.00 0.00 H new ATOM 571 N SER A 37 93.262 7.924 5.392 1.00 0.00 N ATOM 572 CA SER A 37 94.072 9.138 5.458 1.00 0.00 C ATOM 573 C SER A 37 95.201 9.082 4.434 1.00 0.00 C ATOM 574 O SER A 37 95.391 10.013 3.650 1.00 0.00 O ATOM 575 CB SER A 37 94.658 9.299 6.862 1.00 0.00 C ATOM 576 OG SER A 37 95.275 8.081 7.257 1.00 0.00 O ATOM 0 H SER A 37 93.096 7.475 6.293 1.00 0.00 H new ATOM 0 HA SER A 37 93.434 9.993 5.232 1.00 0.00 H new ATOM 0 HB2 SER A 37 95.387 10.109 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 37 93.872 9.567 7.568 1.00 0.00 H new ATOM 0 HG SER A 37 94.588 7.445 7.547 1.00 0.00 H new ATOM 582 N LYS A 38 95.942 7.978 4.442 1.00 0.00 N ATOM 583 CA LYS A 38 97.045 7.806 3.503 1.00 0.00 C ATOM 584 C LYS A 38 96.567 8.080 2.079 1.00 0.00 C ATOM 585 O LYS A 38 97.335 8.544 1.236 1.00 0.00 O ATOM 586 CB LYS A 38 97.608 6.384 3.603 1.00 0.00 C ATOM 587 CG LYS A 38 98.846 6.246 2.711 1.00 0.00 C ATOM 588 CD LYS A 38 99.915 7.260 3.140 1.00 0.00 C ATOM 589 CE LYS A 38 101.299 6.613 3.069 1.00 0.00 C ATOM 590 NZ LYS A 38 101.510 6.027 1.716 1.00 0.00 N ATOM 0 H LYS A 38 95.801 7.196 5.082 1.00 0.00 H new ATOM 0 HA LYS A 38 97.834 8.515 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 38 97.868 6.159 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 38 96.850 5.662 3.301 1.00 0.00 H new ATOM 0 HG2 LYS A 38 99.244 5.234 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.574 6.411 1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 38 99.879 8.136 2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 38 99.716 7.605 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 38 102.069 7.355 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 38 101.388 5.838 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 102.530 5.959 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 101.087 5.078 1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 101.061 6.634 1.001 1.00 0.00 H new ATOM 604 N ILE A 39 95.289 7.800 1.823 1.00 0.00 N ATOM 605 CA ILE A 39 94.719 8.032 0.501 1.00 0.00 C ATOM 606 C ILE A 39 94.471 9.528 0.284 1.00 0.00 C ATOM 607 O ILE A 39 94.712 10.043 -0.808 1.00 0.00 O ATOM 608 CB ILE A 39 93.418 7.224 0.329 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.471 6.444 -0.993 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.195 8.149 0.316 1.00 0.00 C ATOM 611 CD1 ILE A 39 93.563 7.419 -2.173 1.00 0.00 C ATOM 0 H ILE A 39 94.637 7.416 2.507 1.00 0.00 H new ATOM 0 HA ILE A 39 95.429 7.693 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 39 93.328 6.536 1.170 1.00 0.00 H new ATOM 0 HG12 ILE A 39 94.331 5.775 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.582 5.821 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.290 7.554 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.144 8.698 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.281 8.854 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 39 93.600 6.858 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 39 92.689 8.070 -2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 39 94.465 8.023 -2.077 1.00 0.00 H new ATOM 623 N GLN A 40 93.991 10.224 1.321 1.00 0.00 N ATOM 624 CA GLN A 40 93.727 11.659 1.202 1.00 0.00 C ATOM 625 C GLN A 40 94.995 12.394 0.777 1.00 0.00 C ATOM 626 O GLN A 40 94.933 13.431 0.128 1.00 0.00 O ATOM 627 CB GLN A 40 93.199 12.232 2.529 1.00 0.00 C ATOM 628 CG GLN A 40 94.348 12.822 3.357 1.00 0.00 C ATOM 629 CD GLN A 40 93.902 13.030 4.799 1.00 0.00 C ATOM 630 OE1 GLN A 40 94.267 12.256 5.683 1.00 0.00 O ATOM 631 NE2 GLN A 40 93.126 14.037 5.093 1.00 0.00 N ATOM 0 H GLN A 40 93.781 9.824 2.236 1.00 0.00 H new ATOM 0 HA GLN A 40 92.961 11.804 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.455 13.003 2.328 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.700 11.447 3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 40 95.208 12.154 3.327 1.00 0.00 H new ATOM 0 HG3 GLN A 40 94.667 13.771 2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 40 92.823 14.679 4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 40 92.822 14.183 6.056 1.00 0.00 H new ATOM 640 N ASP A 41 96.149 11.839 1.128 1.00 0.00 N ATOM 641 CA ASP A 41 97.412 12.454 0.743 1.00 0.00 C ATOM 642 C ASP A 41 97.590 12.336 -0.770 1.00 0.00 C ATOM 643 O ASP A 41 98.289 13.133 -1.395 1.00 0.00 O ATOM 644 CB ASP A 41 98.574 11.758 1.459 1.00 0.00 C ATOM 645 CG ASP A 41 99.904 12.357 1.010 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.274 13.391 1.544 1.00 0.00 O ATOM 647 OD2 ASP A 41 100.532 11.775 0.141 1.00 0.00 O ATOM 0 H ASP A 41 96.236 10.979 1.669 1.00 0.00 H new ATOM 0 HA ASP A 41 97.403 13.506 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.464 11.867 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.556 10.690 1.243 1.00 0.00 H new ATOM 652 N LYS A 42 96.952 11.314 -1.335 1.00 0.00 N ATOM 653 CA LYS A 42 97.034 11.052 -2.769 1.00 0.00 C ATOM 654 C LYS A 42 95.898 11.722 -3.549 1.00 0.00 C ATOM 655 O LYS A 42 96.120 12.212 -4.656 1.00 0.00 O ATOM 656 CB LYS A 42 96.999 9.541 -3.020 1.00 0.00 C ATOM 657 CG LYS A 42 98.132 8.860 -2.240 1.00 0.00 C ATOM 658 CD LYS A 42 99.178 8.309 -3.216 1.00 0.00 C ATOM 659 CE LYS A 42 100.510 8.114 -2.486 1.00 0.00 C ATOM 660 NZ LYS A 42 101.088 9.444 -2.138 1.00 0.00 N ATOM 0 H LYS A 42 96.371 10.652 -0.820 1.00 0.00 H new ATOM 0 HA LYS A 42 97.974 11.475 -3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 42 96.036 9.134 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 42 97.105 9.337 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 42 98.597 9.573 -1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 42 97.730 8.052 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 42 98.838 7.361 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 42 99.307 8.996 -4.052 1.00 0.00 H new ATOM 0 HE2 LYS A 42 100.358 7.524 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 42 101.204 7.558 -3.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 102.123 9.367 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 100.834 10.136 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 100.710 9.758 -1.221 1.00 0.00 H new ATOM 674 N GLU A 43 94.680 11.718 -2.996 1.00 0.00 N ATOM 675 CA GLU A 43 93.533 12.307 -3.698 1.00 0.00 C ATOM 676 C GLU A 43 92.933 13.495 -2.940 1.00 0.00 C ATOM 677 O GLU A 43 91.925 14.061 -3.369 1.00 0.00 O ATOM 678 CB GLU A 43 92.449 11.239 -3.888 1.00 0.00 C ATOM 679 CG GLU A 43 93.035 10.026 -4.619 1.00 0.00 C ATOM 680 CD GLU A 43 93.276 10.359 -6.089 1.00 0.00 C ATOM 681 OE1 GLU A 43 92.356 10.192 -6.874 1.00 0.00 O ATOM 682 OE2 GLU A 43 94.379 10.772 -6.411 1.00 0.00 O ATOM 0 H GLU A 43 94.464 11.321 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 43 93.893 12.672 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 43 92.053 10.934 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 43 91.616 11.651 -4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 43 93.972 9.727 -4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 43 92.353 9.180 -4.538 1.00 0.00 H new ATOM 689 N GLY A 44 93.553 13.877 -1.829 1.00 0.00 N ATOM 690 CA GLY A 44 93.068 15.008 -1.032 1.00 0.00 C ATOM 691 C GLY A 44 91.783 14.660 -0.279 1.00 0.00 C ATOM 692 O GLY A 44 91.577 15.101 0.852 1.00 0.00 O ATOM 0 H GLY A 44 94.389 13.425 -1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.837 15.308 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.887 15.862 -1.685 1.00 0.00 H new ATOM 696 N ILE A 45 90.917 13.885 -0.929 1.00 0.00 N ATOM 697 CA ILE A 45 89.636 13.489 -0.343 1.00 0.00 C ATOM 698 C ILE A 45 89.800 13.004 1.102 1.00 0.00 C ATOM 699 O ILE A 45 90.546 12.061 1.366 1.00 0.00 O ATOM 700 CB ILE A 45 89.009 12.384 -1.195 1.00 0.00 C ATOM 701 CG1 ILE A 45 88.787 12.906 -2.625 1.00 0.00 C ATOM 702 CG2 ILE A 45 87.674 11.943 -0.579 1.00 0.00 C ATOM 703 CD1 ILE A 45 87.450 13.649 -2.722 1.00 0.00 C ATOM 0 H ILE A 45 91.080 13.517 -1.866 1.00 0.00 H new ATOM 0 HA ILE A 45 88.985 14.363 -0.326 1.00 0.00 H new ATOM 0 HB ILE A 45 89.679 11.525 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 45 89.602 13.573 -2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 45 88.799 12.074 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 45 87.233 11.156 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 45 87.845 11.566 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 45 86.994 12.794 -0.537 1.00 0.00 H new ATOM 0 HD11 ILE A 45 87.308 14.012 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 45 86.637 12.971 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 45 87.452 14.494 -2.033 1.00 0.00 H new ATOM 715 N PRO A 46 89.115 13.635 2.033 1.00 0.00 N ATOM 716 CA PRO A 46 89.181 13.266 3.477 1.00 0.00 C ATOM 717 C PRO A 46 88.964 11.768 3.709 1.00 0.00 C ATOM 718 O PRO A 46 88.106 11.154 3.075 1.00 0.00 O ATOM 719 CB PRO A 46 88.063 14.077 4.149 1.00 0.00 C ATOM 720 CG PRO A 46 87.383 14.875 3.081 1.00 0.00 C ATOM 721 CD PRO A 46 88.212 14.771 1.802 1.00 0.00 C ATOM 0 HA PRO A 46 90.167 13.485 3.886 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.353 13.414 4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.473 14.734 4.916 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.374 14.499 2.911 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.288 15.917 3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 46 87.578 14.602 0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 46 88.770 15.689 1.616 1.00 0.00 H new ATOM 729 N PRO A 47 89.723 11.183 4.604 1.00 0.00 N ATOM 730 CA PRO A 47 89.627 9.732 4.940 1.00 0.00 C ATOM 731 C PRO A 47 88.190 9.275 5.199 1.00 0.00 C ATOM 732 O PRO A 47 87.790 8.188 4.785 1.00 0.00 O ATOM 733 CB PRO A 47 90.460 9.573 6.223 1.00 0.00 C ATOM 734 CG PRO A 47 90.986 10.927 6.585 1.00 0.00 C ATOM 735 CD PRO A 47 90.769 11.849 5.389 1.00 0.00 C ATOM 0 HA PRO A 47 89.983 9.123 4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 47 89.848 9.170 7.030 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.280 8.872 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 47 90.470 11.314 7.464 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.045 10.870 6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.456 12.844 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.684 11.971 4.810 1.00 0.00 H new ATOM 743 N ASP A 48 87.431 10.109 5.906 1.00 0.00 N ATOM 744 CA ASP A 48 86.047 9.784 6.250 1.00 0.00 C ATOM 745 C ASP A 48 85.135 9.797 5.024 1.00 0.00 C ATOM 746 O ASP A 48 84.009 9.300 5.079 1.00 0.00 O ATOM 747 CB ASP A 48 85.525 10.788 7.280 1.00 0.00 C ATOM 748 CG ASP A 48 86.528 10.934 8.421 1.00 0.00 C ATOM 749 OD1 ASP A 48 87.405 11.775 8.310 1.00 0.00 O ATOM 750 OD2 ASP A 48 86.407 10.200 9.388 1.00 0.00 O ATOM 0 H ASP A 48 87.750 11.014 6.252 1.00 0.00 H new ATOM 0 HA ASP A 48 86.038 8.776 6.664 1.00 0.00 H new ATOM 0 HB2 ASP A 48 85.358 11.755 6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 48 84.564 10.454 7.670 1.00 0.00 H new ATOM 755 N GLN A 49 85.614 10.374 3.925 1.00 0.00 N ATOM 756 CA GLN A 49 84.811 10.448 2.706 1.00 0.00 C ATOM 757 C GLN A 49 84.989 9.199 1.844 1.00 0.00 C ATOM 758 O GLN A 49 84.204 8.957 0.928 1.00 0.00 O ATOM 759 CB GLN A 49 85.204 11.687 1.894 1.00 0.00 C ATOM 760 CG GLN A 49 84.004 12.635 1.787 1.00 0.00 C ATOM 761 CD GLN A 49 83.944 13.546 3.010 1.00 0.00 C ATOM 762 OE1 GLN A 49 83.769 14.758 2.874 1.00 0.00 O ATOM 763 NE2 GLN A 49 84.077 13.034 4.203 1.00 0.00 N ATOM 0 H GLN A 49 86.541 10.792 3.852 1.00 0.00 H new ATOM 0 HA GLN A 49 83.764 10.516 3.001 1.00 0.00 H new ATOM 0 HB2 GLN A 49 86.041 12.196 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 49 85.536 11.391 0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 49 84.085 13.235 0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.082 12.059 1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 49 84.222 12.030 4.314 1.00 0.00 H new ATOM 0 HE22 GLN A 49 84.036 13.637 5.024 1.00 0.00 H new ATOM 772 N GLN A 50 86.028 8.417 2.126 1.00 0.00 N ATOM 773 CA GLN A 50 86.290 7.209 1.345 1.00 0.00 C ATOM 774 C GLN A 50 85.911 5.950 2.119 1.00 0.00 C ATOM 775 O GLN A 50 86.194 5.832 3.310 1.00 0.00 O ATOM 776 CB GLN A 50 87.771 7.137 0.975 1.00 0.00 C ATOM 777 CG GLN A 50 88.143 8.337 0.099 1.00 0.00 C ATOM 778 CD GLN A 50 89.251 9.150 0.759 1.00 0.00 C ATOM 779 OE1 GLN A 50 89.356 9.184 1.984 1.00 0.00 O ATOM 780 NE2 GLN A 50 90.092 9.808 0.014 1.00 0.00 N ATOM 0 H GLN A 50 86.694 8.593 2.878 1.00 0.00 H new ATOM 0 HA GLN A 50 85.679 7.261 0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 50 88.381 7.131 1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.978 6.208 0.443 1.00 0.00 H new ATOM 0 HG2 GLN A 50 88.470 7.992 -0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 50 87.267 8.965 -0.060 1.00 0.00 H new ATOM 0 HE21 GLN A 50 90.004 9.779 -1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 50 90.839 10.352 0.446 1.00 0.00 H new ATOM 789 N ARG A 51 85.295 5.004 1.412 1.00 0.00 N ATOM 790 CA ARG A 51 84.902 3.731 2.010 1.00 0.00 C ATOM 791 C ARG A 51 85.652 2.609 1.306 1.00 0.00 C ATOM 792 O ARG A 51 85.902 2.691 0.103 1.00 0.00 O ATOM 793 CB ARG A 51 83.388 3.499 1.879 1.00 0.00 C ATOM 794 CG ARG A 51 82.624 4.822 2.018 1.00 0.00 C ATOM 795 CD ARG A 51 82.385 5.130 3.500 1.00 0.00 C ATOM 796 NE ARG A 51 83.641 5.485 4.153 1.00 0.00 N ATOM 797 CZ ARG A 51 83.750 5.502 5.477 1.00 0.00 C ATOM 798 NH1 ARG A 51 83.678 4.388 6.153 1.00 0.00 N ATOM 799 NH2 ARG A 51 83.935 6.633 6.102 1.00 0.00 N ATOM 0 H ARG A 51 85.058 5.096 0.424 1.00 0.00 H new ATOM 0 HA ARG A 51 85.149 3.749 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.167 3.045 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.055 2.798 2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.191 5.630 1.556 1.00 0.00 H new ATOM 0 HG3 ARG A 51 81.671 4.760 1.492 1.00 0.00 H new ATOM 0 HD2 ARG A 51 81.672 5.949 3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.944 4.263 3.992 1.00 0.00 H new ATOM 0 HE ARG A 51 84.451 5.725 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 51 83.538 3.503 5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 51 83.762 4.402 7.169 1.00 0.00 H new ATOM 0 HH21 ARG A 51 83.996 7.504 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 51 84.019 6.646 7.118 1.00 0.00 H new ATOM 813 N LEU A 52 86.014 1.569 2.046 1.00 0.00 N ATOM 814 CA LEU A 52 86.743 0.452 1.456 1.00 0.00 C ATOM 815 C LEU A 52 85.951 -0.841 1.601 1.00 0.00 C ATOM 816 O LEU A 52 85.595 -1.240 2.707 1.00 0.00 O ATOM 817 CB LEU A 52 88.112 0.307 2.129 1.00 0.00 C ATOM 818 CG LEU A 52 89.045 1.420 1.635 1.00 0.00 C ATOM 819 CD1 LEU A 52 88.788 2.707 2.426 1.00 0.00 C ATOM 820 CD2 LEU A 52 90.502 0.989 1.826 1.00 0.00 C ATOM 0 H LEU A 52 85.819 1.475 3.043 1.00 0.00 H new ATOM 0 HA LEU A 52 86.886 0.653 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 52 88.004 0.362 3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 52 88.540 -0.669 1.901 1.00 0.00 H new ATOM 0 HG LEU A 52 88.852 1.603 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 52 89.454 3.492 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 52 87.753 3.019 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.974 2.527 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 52 91.164 1.780 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 52 90.690 0.801 2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 52 90.690 0.079 1.256 1.00 0.00 H new ATOM 832 N ILE A 53 85.679 -1.486 0.471 1.00 0.00 N ATOM 833 CA ILE A 53 84.925 -2.736 0.465 1.00 0.00 C ATOM 834 C ILE A 53 85.823 -3.888 0.021 1.00 0.00 C ATOM 835 O ILE A 53 86.387 -3.857 -1.073 1.00 0.00 O ATOM 836 CB ILE A 53 83.725 -2.614 -0.485 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.696 -1.638 0.108 1.00 0.00 C ATOM 838 CG2 ILE A 53 83.068 -3.986 -0.675 1.00 0.00 C ATOM 839 CD1 ILE A 53 83.100 -0.192 -0.204 1.00 0.00 C ATOM 0 H ILE A 53 85.969 -1.164 -0.452 1.00 0.00 H new ATOM 0 HA ILE A 53 84.565 -2.938 1.474 1.00 0.00 H new ATOM 0 HB ILE A 53 84.071 -2.242 -1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.708 -1.845 -0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 53 82.628 -1.780 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 53 82.217 -3.892 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.793 -4.681 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.726 -4.362 0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 53 82.364 0.491 0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 53 84.079 0.014 0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.145 -0.052 -1.284 1.00 0.00 H new ATOM 851 N TRP A 54 85.953 -4.903 0.874 1.00 0.00 N ATOM 852 CA TRP A 54 86.784 -6.059 0.559 1.00 0.00 C ATOM 853 C TRP A 54 85.981 -7.347 0.726 1.00 0.00 C ATOM 854 O TRP A 54 85.380 -7.586 1.776 1.00 0.00 O ATOM 855 CB TRP A 54 88.008 -6.080 1.482 1.00 0.00 C ATOM 856 CG TRP A 54 88.693 -7.411 1.402 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.481 -8.445 2.247 1.00 0.00 C ATOM 858 CD2 TRP A 54 89.693 -7.865 0.442 1.00 0.00 C ATOM 859 NE1 TRP A 54 89.286 -9.505 1.868 1.00 0.00 N ATOM 860 CE2 TRP A 54 90.051 -9.196 0.762 1.00 0.00 C ATOM 861 CE3 TRP A 54 90.318 -7.259 -0.664 1.00 0.00 C ATOM 862 CZ2 TRP A 54 90.994 -9.901 0.012 1.00 0.00 C ATOM 863 CZ3 TRP A 54 91.268 -7.965 -1.420 1.00 0.00 C ATOM 864 CH2 TRP A 54 91.605 -9.283 -1.082 1.00 0.00 C ATOM 0 H TRP A 54 85.495 -4.947 1.784 1.00 0.00 H new ATOM 0 HA TRP A 54 87.116 -5.987 -0.477 1.00 0.00 H new ATOM 0 HB2 TRP A 54 88.701 -5.288 1.197 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.702 -5.881 2.509 1.00 0.00 H new ATOM 0 HD1 TRP A 54 87.795 -8.444 3.081 1.00 0.00 H new ATOM 0 HE1 TRP A 54 89.311 -10.405 2.348 1.00 0.00 H new ATOM 0 HE3 TRP A 54 90.065 -6.244 -0.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 91.249 -10.917 0.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 91.741 -7.490 -2.266 1.00 0.00 H new ATOM 0 HH2 TRP A 54 92.337 -9.821 -1.667 1.00 0.00 H new ATOM 875 N ALA A 55 85.982 -8.170 -0.319 1.00 0.00 N ATOM 876 CA ALA A 55 85.260 -9.439 -0.304 1.00 0.00 C ATOM 877 C ALA A 55 83.776 -9.236 0.008 1.00 0.00 C ATOM 878 O ALA A 55 83.257 -9.774 0.986 1.00 0.00 O ATOM 879 CB ALA A 55 85.883 -10.387 0.727 1.00 0.00 C ATOM 0 H ALA A 55 86.477 -7.980 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 55 85.339 -9.879 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 55 85.337 -11.330 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 55 86.926 -10.572 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 55 85.830 -9.934 1.717 1.00 0.00 H new ATOM 885 N GLY A 56 83.097 -8.475 -0.849 1.00 0.00 N ATOM 886 CA GLY A 56 81.667 -8.218 -0.686 1.00 0.00 C ATOM 887 C GLY A 56 81.322 -7.626 0.680 1.00 0.00 C ATOM 888 O GLY A 56 80.144 -7.483 1.011 1.00 0.00 O ATOM 0 H GLY A 56 83.514 -8.025 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 56 81.334 -7.535 -1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 56 81.118 -9.149 -0.822 1.00 0.00 H new ATOM 892 N LYS A 57 82.337 -7.290 1.472 1.00 0.00 N ATOM 893 CA LYS A 57 82.095 -6.724 2.796 1.00 0.00 C ATOM 894 C LYS A 57 82.796 -5.381 2.955 1.00 0.00 C ATOM 895 O LYS A 57 83.944 -5.215 2.544 1.00 0.00 O ATOM 896 CB LYS A 57 82.591 -7.688 3.877 1.00 0.00 C ATOM 897 CG LYS A 57 81.953 -7.326 5.224 1.00 0.00 C ATOM 898 CD LYS A 57 83.039 -7.208 6.298 1.00 0.00 C ATOM 899 CE LYS A 57 82.387 -6.979 7.665 1.00 0.00 C ATOM 900 NZ LYS A 57 83.344 -7.363 8.742 1.00 0.00 N ATOM 0 H LYS A 57 83.321 -7.398 1.225 1.00 0.00 H new ATOM 0 HA LYS A 57 81.021 -6.571 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 57 82.338 -8.713 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 57 83.677 -7.637 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.410 -6.385 5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 57 81.228 -8.088 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 57 83.643 -8.115 6.319 1.00 0.00 H new ATOM 0 HD3 LYS A 57 83.711 -6.383 6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.102 -5.933 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 57 81.474 -7.568 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 83.123 -6.831 9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 83.263 -8.382 8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 84.314 -7.143 8.439 1.00 0.00 H new ATOM 914 N GLN A 58 82.096 -4.432 3.567 1.00 0.00 N ATOM 915 CA GLN A 58 82.655 -3.105 3.794 1.00 0.00 C ATOM 916 C GLN A 58 83.674 -3.156 4.928 1.00 0.00 C ATOM 917 O GLN A 58 83.353 -3.572 6.042 1.00 0.00 O ATOM 918 CB GLN A 58 81.539 -2.114 4.142 1.00 0.00 C ATOM 919 CG GLN A 58 82.114 -0.695 4.238 1.00 0.00 C ATOM 920 CD GLN A 58 81.927 -0.147 5.651 1.00 0.00 C ATOM 921 OE1 GLN A 58 81.177 0.809 5.852 1.00 0.00 O ATOM 922 NE2 GLN A 58 82.565 -0.699 6.647 1.00 0.00 N ATOM 0 H GLN A 58 81.145 -4.556 3.913 1.00 0.00 H new ATOM 0 HA GLN A 58 83.151 -2.773 2.882 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.759 -2.149 3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.075 -2.393 5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 58 83.173 -0.705 3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 58 81.618 -0.044 3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 58 83.186 -1.491 6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 58 82.443 -0.339 7.593 1.00 0.00 H new ATOM 931 N LEU A 59 84.900 -2.736 4.635 1.00 0.00 N ATOM 932 CA LEU A 59 85.961 -2.742 5.637 1.00 0.00 C ATOM 933 C LEU A 59 85.689 -1.697 6.713 1.00 0.00 C ATOM 934 O LEU A 59 85.475 -0.522 6.412 1.00 0.00 O ATOM 935 CB LEU A 59 87.311 -2.450 4.975 1.00 0.00 C ATOM 936 CG LEU A 59 87.720 -3.631 4.088 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.860 -3.203 3.158 1.00 0.00 C ATOM 938 CD2 LEU A 59 88.185 -4.796 4.970 1.00 0.00 C ATOM 0 H LEU A 59 85.183 -2.389 3.718 1.00 0.00 H new ATOM 0 HA LEU A 59 85.988 -3.729 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 59 87.244 -1.541 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 59 88.070 -2.276 5.737 1.00 0.00 H new ATOM 0 HG LEU A 59 86.866 -3.949 3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 59 89.150 -4.043 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.527 -2.377 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 59 89.715 -2.884 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 59 88.476 -5.636 4.339 1.00 0.00 H new ATOM 0 HD22 LEU A 59 89.038 -4.480 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 59 87.372 -5.101 5.628 1.00 0.00 H new ATOM 950 N GLU A 60 85.704 -2.136 7.968 1.00 0.00 N ATOM 951 CA GLU A 60 85.461 -1.237 9.090 1.00 0.00 C ATOM 952 C GLU A 60 86.755 -0.541 9.502 1.00 0.00 C ATOM 953 O GLU A 60 87.828 -1.142 9.476 1.00 0.00 O ATOM 954 CB GLU A 60 84.892 -2.022 10.275 1.00 0.00 C ATOM 955 CG GLU A 60 83.522 -2.599 9.897 1.00 0.00 C ATOM 956 CD GLU A 60 83.638 -4.094 9.607 1.00 0.00 C ATOM 957 OE1 GLU A 60 84.304 -4.444 8.645 1.00 0.00 O ATOM 958 OE2 GLU A 60 83.057 -4.869 10.351 1.00 0.00 O ATOM 0 H GLU A 60 85.881 -3.105 8.232 1.00 0.00 H new ATOM 0 HA GLU A 60 84.739 -0.481 8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.573 -2.826 10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 60 84.797 -1.371 11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 60 82.813 -2.433 10.709 1.00 0.00 H new ATOM 0 HG3 GLU A 60 83.131 -2.081 9.021 1.00 0.00 H new ATOM 965 N ASP A 61 86.642 0.735 9.860 1.00 0.00 N ATOM 966 CA ASP A 61 87.801 1.533 10.257 1.00 0.00 C ATOM 967 C ASP A 61 88.654 0.826 11.317 1.00 0.00 C ATOM 968 O ASP A 61 89.802 1.209 11.547 1.00 0.00 O ATOM 969 CB ASP A 61 87.331 2.887 10.801 1.00 0.00 C ATOM 970 CG ASP A 61 87.691 3.998 9.818 1.00 0.00 C ATOM 971 OD1 ASP A 61 88.861 4.333 9.739 1.00 0.00 O ATOM 972 OD2 ASP A 61 86.793 4.495 9.158 1.00 0.00 O ATOM 0 H ASP A 61 85.757 1.241 9.884 1.00 0.00 H new ATOM 0 HA ASP A 61 88.421 1.674 9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 61 86.253 2.869 10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 61 87.796 3.081 11.768 1.00 0.00 H new ATOM 977 N GLY A 62 88.091 -0.196 11.962 1.00 0.00 N ATOM 978 CA GLY A 62 88.817 -0.930 12.999 1.00 0.00 C ATOM 979 C GLY A 62 89.542 -2.151 12.432 1.00 0.00 C ATOM 980 O GLY A 62 90.215 -2.875 13.167 1.00 0.00 O ATOM 0 H GLY A 62 87.144 -0.532 11.787 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.540 -0.267 13.474 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.120 -1.249 13.774 1.00 0.00 H new ATOM 984 N ARG A 63 89.401 -2.381 11.129 1.00 0.00 N ATOM 985 CA ARG A 63 90.049 -3.524 10.488 1.00 0.00 C ATOM 986 C ARG A 63 91.543 -3.270 10.297 1.00 0.00 C ATOM 987 O ARG A 63 91.969 -2.132 10.097 1.00 0.00 O ATOM 988 CB ARG A 63 89.399 -3.806 9.129 1.00 0.00 C ATOM 989 CG ARG A 63 88.061 -4.526 9.334 1.00 0.00 C ATOM 990 CD ARG A 63 88.212 -6.005 8.966 1.00 0.00 C ATOM 991 NE ARG A 63 86.941 -6.700 9.136 1.00 0.00 N ATOM 992 CZ ARG A 63 86.495 -7.038 10.342 1.00 0.00 C ATOM 993 NH1 ARG A 63 87.259 -7.716 11.155 1.00 0.00 N ATOM 994 NH2 ARG A 63 85.293 -6.692 10.713 1.00 0.00 N ATOM 0 H ARG A 63 88.849 -1.797 10.500 1.00 0.00 H new ATOM 0 HA ARG A 63 89.923 -4.390 11.138 1.00 0.00 H new ATOM 0 HB2 ARG A 63 89.241 -2.872 8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 63 90.062 -4.418 8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 63 87.740 -4.430 10.371 1.00 0.00 H new ATOM 0 HG3 ARG A 63 87.290 -4.064 8.717 1.00 0.00 H new ATOM 0 HD2 ARG A 63 88.550 -6.098 7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 63 88.974 -6.467 9.594 1.00 0.00 H new ATOM 0 HE ARG A 63 86.384 -6.931 8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 63 88.199 -7.987 10.865 1.00 0.00 H new ATOM 0 HH12 ARG A 63 86.916 -7.975 12.080 1.00 0.00 H new ATOM 0 HH21 ARG A 63 84.696 -6.162 10.078 1.00 0.00 H new ATOM 0 HH22 ARG A 63 84.950 -6.951 11.638 1.00 0.00 H new ATOM 1008 N THR A 64 92.330 -4.343 10.360 1.00 0.00 N ATOM 1009 CA THR A 64 93.779 -4.237 10.194 1.00 0.00 C ATOM 1010 C THR A 64 94.216 -4.882 8.881 1.00 0.00 C ATOM 1011 O THR A 64 93.438 -5.583 8.232 1.00 0.00 O ATOM 1012 CB THR A 64 94.495 -4.916 11.368 1.00 0.00 C ATOM 1013 OG1 THR A 64 93.753 -6.054 11.783 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.614 -3.933 12.535 1.00 0.00 C ATOM 0 H THR A 64 91.991 -5.291 10.524 1.00 0.00 H new ATOM 0 HA THR A 64 94.047 -3.181 10.173 1.00 0.00 H new ATOM 0 HB THR A 64 95.491 -5.226 11.052 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.212 -6.488 12.532 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.123 -4.417 13.368 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.185 -3.060 12.219 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.619 -3.620 12.850 1.00 0.00 H new ATOM 1022 N LEU A 65 95.465 -4.633 8.497 1.00 0.00 N ATOM 1023 CA LEU A 65 96.008 -5.186 7.258 1.00 0.00 C ATOM 1024 C LEU A 65 96.452 -6.633 7.468 1.00 0.00 C ATOM 1025 O LEU A 65 96.150 -7.511 6.658 1.00 0.00 O ATOM 1026 CB LEU A 65 97.195 -4.328 6.789 1.00 0.00 C ATOM 1027 CG LEU A 65 96.714 -3.230 5.825 1.00 0.00 C ATOM 1028 CD1 LEU A 65 97.914 -2.621 5.099 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.747 -3.815 4.788 1.00 0.00 C ATOM 0 H LEU A 65 96.119 -4.054 9.023 1.00 0.00 H new ATOM 0 HA LEU A 65 95.231 -5.174 6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.687 -3.875 7.650 1.00 0.00 H new ATOM 0 HB3 LEU A 65 97.934 -4.958 6.294 1.00 0.00 H new ATOM 0 HG LEU A 65 96.199 -2.462 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.570 -1.844 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.599 -2.187 5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.430 -3.397 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.416 -3.026 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 65 96.254 -4.592 4.216 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.883 -4.243 5.297 1.00 0.00 H new ATOM 1041 N SER A 66 97.168 -6.865 8.561 1.00 0.00 N ATOM 1042 CA SER A 66 97.659 -8.199 8.894 1.00 0.00 C ATOM 1043 C SER A 66 96.500 -9.119 9.269 1.00 0.00 C ATOM 1044 O SER A 66 96.677 -10.331 9.407 1.00 0.00 O ATOM 1045 CB SER A 66 98.648 -8.117 10.058 1.00 0.00 C ATOM 1046 OG SER A 66 99.242 -9.394 10.265 1.00 0.00 O ATOM 0 H SER A 66 97.423 -6.144 9.236 1.00 0.00 H new ATOM 0 HA SER A 66 98.164 -8.609 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 66 99.418 -7.376 9.844 1.00 0.00 H new ATOM 0 HB3 SER A 66 98.135 -7.791 10.963 1.00 0.00 H new ATOM 0 HG SER A 66 98.582 -10.095 10.082 1.00 0.00 H new ATOM 1052 N ASP A 67 95.314 -8.533 9.423 1.00 0.00 N ATOM 1053 CA ASP A 67 94.126 -9.305 9.773 1.00 0.00 C ATOM 1054 C ASP A 67 93.979 -10.493 8.826 1.00 0.00 C ATOM 1055 O ASP A 67 94.020 -11.648 9.252 1.00 0.00 O ATOM 1056 CB ASP A 67 92.880 -8.418 9.680 1.00 0.00 C ATOM 1057 CG ASP A 67 91.742 -9.023 10.496 1.00 0.00 C ATOM 1058 OD1 ASP A 67 91.070 -9.901 9.978 1.00 0.00 O ATOM 1059 OD2 ASP A 67 91.558 -8.601 11.625 1.00 0.00 O ATOM 0 H ASP A 67 95.152 -7.532 9.311 1.00 0.00 H new ATOM 0 HA ASP A 67 94.232 -9.670 10.794 1.00 0.00 H new ATOM 0 HB2 ASP A 67 93.109 -7.417 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.575 -8.314 8.639 1.00 0.00 H new ATOM 1064 N TYR A 68 93.816 -10.192 7.541 1.00 0.00 N ATOM 1065 CA TYR A 68 93.671 -11.229 6.526 1.00 0.00 C ATOM 1066 C TYR A 68 94.969 -11.387 5.736 1.00 0.00 C ATOM 1067 O TYR A 68 95.067 -12.242 4.855 1.00 0.00 O ATOM 1068 CB TYR A 68 92.526 -10.871 5.574 1.00 0.00 C ATOM 1069 CG TYR A 68 91.970 -12.133 4.953 1.00 0.00 C ATOM 1070 CD1 TYR A 68 91.162 -12.985 5.715 1.00 0.00 C ATOM 1071 CD2 TYR A 68 92.262 -12.449 3.620 1.00 0.00 C ATOM 1072 CE1 TYR A 68 90.646 -14.154 5.143 1.00 0.00 C ATOM 1073 CE2 TYR A 68 91.745 -13.618 3.049 1.00 0.00 C ATOM 1074 CZ TYR A 68 90.937 -14.472 3.812 1.00 0.00 C ATOM 1075 OH TYR A 68 90.428 -15.625 3.250 1.00 0.00 O ATOM 0 H TYR A 68 93.781 -9.239 7.179 1.00 0.00 H new ATOM 0 HA TYR A 68 93.445 -12.173 7.023 1.00 0.00 H new ATOM 0 HB2 TYR A 68 91.741 -10.343 6.115 1.00 0.00 H new ATOM 0 HB3 TYR A 68 92.884 -10.198 4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 68 90.937 -12.741 6.743 1.00 0.00 H new ATOM 0 HD2 TYR A 68 92.886 -11.791 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 68 90.022 -14.812 5.730 1.00 0.00 H new ATOM 0 HE2 TYR A 68 91.969 -13.862 2.021 1.00 0.00 H new ATOM 0 HH TYR A 68 90.725 -15.694 2.319 1.00 0.00 H new ATOM 1085 N ASN A 69 95.956 -10.546 6.055 1.00 0.00 N ATOM 1086 CA ASN A 69 97.250 -10.582 5.371 1.00 0.00 C ATOM 1087 C ASN A 69 97.095 -10.127 3.923 1.00 0.00 C ATOM 1088 O ASN A 69 97.628 -10.746 3.000 1.00 0.00 O ATOM 1089 CB ASN A 69 97.850 -11.992 5.423 1.00 0.00 C ATOM 1090 CG ASN A 69 97.847 -12.507 6.859 1.00 0.00 C ATOM 1091 OD1 ASN A 69 96.973 -13.286 7.239 1.00 0.00 O ATOM 1092 ND2 ASN A 69 98.777 -12.112 7.685 1.00 0.00 N ATOM 0 H ASN A 69 95.884 -9.833 6.781 1.00 0.00 H new ATOM 0 HA ASN A 69 97.929 -9.900 5.883 1.00 0.00 H new ATOM 0 HB2 ASN A 69 97.276 -12.664 4.786 1.00 0.00 H new ATOM 0 HB3 ASN A 69 98.869 -11.977 5.035 1.00 0.00 H new ATOM 0 HD21 ASN A 69 98.781 -12.449 8.648 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.500 -11.466 7.368 1.00 0.00 H new ATOM 1099 N ILE A 70 96.352 -9.037 3.743 1.00 0.00 N ATOM 1100 CA ILE A 70 96.110 -8.482 2.413 1.00 0.00 C ATOM 1101 C ILE A 70 97.432 -8.245 1.676 1.00 0.00 C ATOM 1102 O ILE A 70 97.450 -8.104 0.453 1.00 0.00 O ATOM 1103 CB ILE A 70 95.308 -7.171 2.536 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.152 -7.180 1.527 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.208 -5.959 2.265 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.032 -6.257 2.018 1.00 0.00 C ATOM 0 H ILE A 70 95.907 -8.520 4.502 1.00 0.00 H new ATOM 0 HA ILE A 70 95.529 -9.197 1.831 1.00 0.00 H new ATOM 0 HB ILE A 70 94.916 -7.098 3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.506 -6.850 0.550 1.00 0.00 H new ATOM 0 HG13 ILE A 70 93.773 -8.194 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.623 -5.044 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.024 -5.942 2.988 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.618 -6.028 1.257 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.212 -6.265 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 70 92.670 -6.606 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 70 93.415 -5.242 2.119 1.00 0.00 H new ATOM 1118 N GLN A 71 98.532 -8.207 2.430 1.00 0.00 N ATOM 1119 CA GLN A 71 99.856 -7.994 1.845 1.00 0.00 C ATOM 1120 C GLN A 71 99.901 -6.669 1.082 1.00 0.00 C ATOM 1121 O GLN A 71 99.075 -5.788 1.312 1.00 0.00 O ATOM 1122 CB GLN A 71 100.209 -9.161 0.910 1.00 0.00 C ATOM 1123 CG GLN A 71 100.744 -10.335 1.734 1.00 0.00 C ATOM 1124 CD GLN A 71 102.265 -10.261 1.823 1.00 0.00 C ATOM 1125 OE1 GLN A 71 102.964 -10.768 0.945 1.00 0.00 O ATOM 1126 NE2 GLN A 71 102.822 -9.655 2.836 1.00 0.00 N ATOM 0 H GLN A 71 98.532 -8.321 3.444 1.00 0.00 H new ATOM 0 HA GLN A 71 100.590 -7.950 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 71 99.327 -9.470 0.348 1.00 0.00 H new ATOM 0 HB3 GLN A 71 100.956 -8.844 0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 71 100.312 -10.314 2.734 1.00 0.00 H new ATOM 0 HG3 GLN A 71 100.444 -11.278 1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 71 102.241 -9.236 3.562 1.00 0.00 H new ATOM 0 HE22 GLN A 71 103.838 -9.601 2.902 1.00 0.00 H new ATOM 1135 N ARG A 72 100.868 -6.536 0.174 1.00 0.00 N ATOM 1136 CA ARG A 72 101.006 -5.313 -0.614 1.00 0.00 C ATOM 1137 C ARG A 72 100.437 -5.507 -2.019 1.00 0.00 C ATOM 1138 O ARG A 72 99.814 -4.603 -2.574 1.00 0.00 O ATOM 1139 CB ARG A 72 102.481 -4.897 -0.699 1.00 0.00 C ATOM 1140 CG ARG A 72 103.341 -6.082 -1.156 1.00 0.00 C ATOM 1141 CD ARG A 72 104.822 -5.761 -0.931 1.00 0.00 C ATOM 1142 NE ARG A 72 105.161 -4.480 -1.544 1.00 0.00 N ATOM 1143 CZ ARG A 72 105.517 -4.401 -2.822 1.00 0.00 C ATOM 1144 NH1 ARG A 72 104.626 -4.580 -3.757 1.00 0.00 N ATOM 1145 NH2 ARG A 72 106.757 -4.145 -3.141 1.00 0.00 N ATOM 0 H ARG A 72 101.562 -7.254 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 72 100.442 -4.523 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 72 102.593 -4.067 -1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 72 102.823 -4.544 0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.065 -6.979 -0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.160 -6.290 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.036 -5.729 0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.441 -6.551 -1.356 1.00 0.00 H new ATOM 0 HE ARG A 72 105.124 -3.630 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 72 103.658 -4.780 -3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 72 104.897 -4.520 -4.738 1.00 0.00 H new ATOM 0 HH21 ARG A 72 107.454 -4.005 -2.409 1.00 0.00 H new ATOM 0 HH22 ARG A 72 107.029 -4.085 -4.122 1.00 0.00 H new ATOM 1159 N GLU A 73 100.659 -6.687 -2.591 1.00 0.00 N ATOM 1160 CA GLU A 73 100.163 -6.980 -3.933 1.00 0.00 C ATOM 1161 C GLU A 73 98.669 -7.302 -3.899 1.00 0.00 C ATOM 1162 O GLU A 73 98.245 -8.382 -4.315 1.00 0.00 O ATOM 1163 CB GLU A 73 100.941 -8.159 -4.528 1.00 0.00 C ATOM 1164 CG GLU A 73 102.350 -7.698 -4.913 1.00 0.00 C ATOM 1165 CD GLU A 73 103.190 -8.894 -5.349 1.00 0.00 C ATOM 1166 OE1 GLU A 73 103.820 -9.494 -4.493 1.00 0.00 O ATOM 1167 OE2 GLU A 73 103.190 -9.193 -6.531 1.00 0.00 O ATOM 0 H GLU A 73 101.174 -7.450 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 73 100.310 -6.099 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 73 100.998 -8.973 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 73 100.421 -8.546 -5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 73 102.295 -6.968 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 73 102.823 -7.201 -4.066 1.00 0.00 H new ATOM 1174 N SER A 74 97.877 -6.353 -3.400 1.00 0.00 N ATOM 1175 CA SER A 74 96.430 -6.535 -3.314 1.00 0.00 C ATOM 1176 C SER A 74 95.700 -5.320 -3.876 1.00 0.00 C ATOM 1177 O SER A 74 96.223 -4.201 -3.849 1.00 0.00 O ATOM 1178 CB SER A 74 96.014 -6.756 -1.860 1.00 0.00 C ATOM 1179 OG SER A 74 94.600 -6.650 -1.753 1.00 0.00 O ATOM 0 H SER A 74 98.212 -5.455 -3.051 1.00 0.00 H new ATOM 0 HA SER A 74 96.160 -7.411 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 74 96.343 -7.738 -1.521 1.00 0.00 H new ATOM 0 HB3 SER A 74 96.495 -6.019 -1.216 1.00 0.00 H new ATOM 0 HG SER A 74 94.210 -7.546 -1.677 1.00 0.00 H new ATOM 1185 N THR A 75 94.485 -5.551 -4.369 1.00 0.00 N ATOM 1186 CA THR A 75 93.670 -4.479 -4.933 1.00 0.00 C ATOM 1187 C THR A 75 92.607 -4.038 -3.931 1.00 0.00 C ATOM 1188 O THR A 75 91.606 -4.727 -3.725 1.00 0.00 O ATOM 1189 CB THR A 75 92.996 -4.951 -6.229 1.00 0.00 C ATOM 1190 OG1 THR A 75 93.166 -6.355 -6.374 1.00 0.00 O ATOM 1191 CG2 THR A 75 93.626 -4.232 -7.423 1.00 0.00 C ATOM 0 H THR A 75 94.044 -6.471 -4.389 1.00 0.00 H new ATOM 0 HA THR A 75 94.319 -3.633 -5.156 1.00 0.00 H new ATOM 0 HB THR A 75 91.931 -4.721 -6.187 1.00 0.00 H new ATOM 0 HG1 THR A 75 92.733 -6.653 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A 75 93.148 -4.567 -8.343 1.00 0.00 H new ATOM 0 HG22 THR A 75 93.489 -3.156 -7.314 1.00 0.00 H new ATOM 0 HG23 THR A 75 94.691 -4.460 -7.464 1.00 0.00 H new ATOM 1199 N LEU A 76 92.842 -2.889 -3.306 1.00 0.00 N ATOM 1200 CA LEU A 76 91.915 -2.354 -2.318 1.00 0.00 C ATOM 1201 C LEU A 76 90.762 -1.619 -2.996 1.00 0.00 C ATOM 1202 O LEU A 76 90.927 -0.500 -3.483 1.00 0.00 O ATOM 1203 CB LEU A 76 92.660 -1.392 -1.383 1.00 0.00 C ATOM 1204 CG LEU A 76 93.034 -2.106 -0.075 1.00 0.00 C ATOM 1205 CD1 LEU A 76 91.765 -2.576 0.646 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.927 -3.313 -0.382 1.00 0.00 C ATOM 0 H LEU A 76 93.667 -2.311 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 76 91.505 -3.184 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.560 -1.021 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.034 -0.526 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 76 93.574 -1.410 0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 76 92.039 -3.081 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.136 -1.715 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.217 -3.266 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 76 94.190 -3.817 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 76 93.392 -4.006 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 76 94.835 -2.976 -0.882 1.00 0.00 H new ATOM 1218 N HIS A 77 89.592 -2.254 -3.015 1.00 0.00 N ATOM 1219 CA HIS A 77 88.412 -1.647 -3.624 1.00 0.00 C ATOM 1220 C HIS A 77 87.938 -0.474 -2.772 1.00 0.00 C ATOM 1221 O HIS A 77 87.429 -0.667 -1.666 1.00 0.00 O ATOM 1222 CB HIS A 77 87.291 -2.688 -3.747 1.00 0.00 C ATOM 1223 CG HIS A 77 86.659 -2.594 -5.109 1.00 0.00 C ATOM 1224 ND1 HIS A 77 85.482 -1.896 -5.331 1.00 0.00 N ATOM 1225 CD2 HIS A 77 87.023 -3.113 -6.327 1.00 0.00 C ATOM 1226 CE1 HIS A 77 85.183 -2.013 -6.637 1.00 0.00 C ATOM 1227 NE2 HIS A 77 86.088 -2.744 -7.291 1.00 0.00 N ATOM 0 H HIS A 77 89.437 -3.181 -2.619 1.00 0.00 H new ATOM 0 HA HIS A 77 88.671 -1.286 -4.619 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.692 -3.689 -3.590 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.540 -2.521 -2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 77 87.901 -3.715 -6.510 1.00 0.00 H new ATOM 0 HE1 HIS A 77 84.315 -1.569 -7.101 1.00 0.00 H new ATOM 0 HE2 HIS A 77 86.094 -2.981 -8.283 1.00 0.00 H new ATOM 1235 N LEU A 78 88.115 0.741 -3.287 1.00 0.00 N ATOM 1236 CA LEU A 78 87.710 1.943 -2.563 1.00 0.00 C ATOM 1237 C LEU A 78 86.637 2.700 -3.344 1.00 0.00 C ATOM 1238 O LEU A 78 86.579 2.617 -4.570 1.00 0.00 O ATOM 1239 CB LEU A 78 88.933 2.846 -2.350 1.00 0.00 C ATOM 1240 CG LEU A 78 88.610 3.938 -1.321 1.00 0.00 C ATOM 1241 CD1 LEU A 78 89.857 4.235 -0.478 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.171 5.217 -2.046 1.00 0.00 C ATOM 0 H LEU A 78 88.535 0.919 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 78 87.296 1.653 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 78 89.779 2.251 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.227 3.302 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 78 87.805 3.593 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 78 89.626 5.011 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.169 3.329 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 78 90.663 4.577 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 78 87.942 5.991 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 78 88.975 5.560 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.283 5.010 -2.644 1.00 0.00 H new ATOM 1254 N VAL A 79 85.789 3.434 -2.626 1.00 0.00 N ATOM 1255 CA VAL A 79 84.720 4.202 -3.264 1.00 0.00 C ATOM 1256 C VAL A 79 84.724 5.643 -2.756 1.00 0.00 C ATOM 1257 O VAL A 79 84.822 5.886 -1.552 1.00 0.00 O ATOM 1258 CB VAL A 79 83.358 3.553 -2.982 1.00 0.00 C ATOM 1259 CG1 VAL A 79 83.381 2.091 -3.438 1.00 0.00 C ATOM 1260 CG2 VAL A 79 83.057 3.613 -1.481 1.00 0.00 C ATOM 0 H VAL A 79 85.820 3.514 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 79 84.894 4.207 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 79 82.584 4.093 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 79 82.413 1.632 -3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 79 83.589 2.047 -4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 79 84.158 1.553 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.089 3.151 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 79 83.832 3.078 -0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.035 4.653 -1.156 1.00 0.00 H new ATOM 1270 N LEU A 80 84.622 6.595 -3.682 1.00 0.00 N ATOM 1271 CA LEU A 80 84.618 8.011 -3.319 1.00 0.00 C ATOM 1272 C LEU A 80 83.193 8.512 -3.110 1.00 0.00 C ATOM 1273 O LEU A 80 82.344 8.383 -3.993 1.00 0.00 O ATOM 1274 CB LEU A 80 85.292 8.839 -4.420 1.00 0.00 C ATOM 1275 CG LEU A 80 86.755 8.408 -4.581 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.390 9.180 -5.741 1.00 0.00 C ATOM 1277 CD2 LEU A 80 87.526 8.707 -3.291 1.00 0.00 C ATOM 0 H LEU A 80 84.542 6.414 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 80 85.171 8.124 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 80 84.760 8.707 -5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 80 85.242 9.899 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 80 86.794 7.338 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 80 88.430 8.874 -5.856 1.00 0.00 H new ATOM 0 HD12 LEU A 80 86.845 8.967 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 80 87.347 10.249 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 80 88.565 8.400 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 80 87.485 9.776 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 80 87.077 8.158 -2.463 1.00 0.00 H new ATOM 1289 N ARG A 81 82.942 9.094 -1.939 1.00 0.00 N ATOM 1290 CA ARG A 81 81.618 9.622 -1.620 1.00 0.00 C ATOM 1291 C ARG A 81 81.436 11.007 -2.232 1.00 0.00 C ATOM 1292 O ARG A 81 82.392 11.775 -2.346 1.00 0.00 O ATOM 1293 CB ARG A 81 81.438 9.715 -0.103 1.00 0.00 C ATOM 1294 CG ARG A 81 81.175 8.321 0.477 1.00 0.00 C ATOM 1295 CD ARG A 81 80.594 8.457 1.887 1.00 0.00 C ATOM 1296 NE ARG A 81 79.173 8.123 1.885 1.00 0.00 N ATOM 1297 CZ ARG A 81 78.746 6.910 2.224 1.00 0.00 C ATOM 1298 NH1 ARG A 81 79.321 5.854 1.719 1.00 0.00 N ATOM 1299 NH2 ARG A 81 77.754 6.775 3.059 1.00 0.00 N ATOM 0 H ARG A 81 83.634 9.211 -1.199 1.00 0.00 H new ATOM 0 HA ARG A 81 80.871 8.945 -2.034 1.00 0.00 H new ATOM 0 HB2 ARG A 81 82.330 10.146 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.607 10.380 0.133 1.00 0.00 H new ATOM 0 HG2 ARG A 81 80.482 7.774 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 81 82.101 7.747 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 81 81.128 7.799 2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 81 80.734 9.476 2.249 1.00 0.00 H new ATOM 0 HE ARG A 81 78.493 8.835 1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 81 80.097 5.959 1.065 1.00 0.00 H new ATOM 0 HH12 ARG A 81 78.995 4.923 1.978 1.00 0.00 H new ATOM 0 HH21 ARG A 81 77.304 7.601 3.454 1.00 0.00 H new ATOM 0 HH22 ARG A 81 77.428 5.844 3.318 1.00 0.00 H new ATOM 1422 N ALA A 91 77.603 5.347 -9.569 1.00 0.00 N ATOM 1423 CA ALA A 91 78.153 5.701 -8.264 1.00 0.00 C ATOM 1424 C ALA A 91 77.702 7.100 -7.864 1.00 0.00 C ATOM 1425 O ALA A 91 77.706 8.019 -8.683 1.00 0.00 O ATOM 1426 CB ALA A 91 79.682 5.646 -8.307 1.00 0.00 C ATOM 0 HA ALA A 91 77.788 4.986 -7.527 1.00 0.00 H new ATOM 0 HB1 ALA A 91 80.083 5.912 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 91 80.003 4.638 -8.569 1.00 0.00 H new ATOM 0 HB3 ALA A 91 80.051 6.349 -9.054 1.00 0.00 H new ATOM 1432 N ASP A 92 77.314 7.252 -6.602 1.00 0.00 N ATOM 1433 CA ASP A 92 76.858 8.545 -6.102 1.00 0.00 C ATOM 1434 C ASP A 92 77.520 8.864 -4.767 1.00 0.00 C ATOM 1435 O ASP A 92 78.304 9.808 -4.665 1.00 0.00 O ATOM 1436 CB ASP A 92 75.335 8.536 -5.941 1.00 0.00 C ATOM 1437 CG ASP A 92 74.668 8.609 -7.312 1.00 0.00 C ATOM 1438 OD1 ASP A 92 74.651 7.599 -7.996 1.00 0.00 O ATOM 1439 OD2 ASP A 92 74.185 9.673 -7.659 1.00 0.00 O ATOM 0 H ASP A 92 77.306 6.502 -5.911 1.00 0.00 H new ATOM 0 HA ASP A 92 77.137 9.314 -6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 92 75.021 7.631 -5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 92 75.020 9.381 -5.328 1.00 0.00 H new ATOM 1444 N GLU A 93 77.203 8.071 -3.747 1.00 0.00 N ATOM 1445 CA GLU A 93 77.777 8.280 -2.422 1.00 0.00 C ATOM 1446 C GLU A 93 77.523 7.066 -1.534 1.00 0.00 C ATOM 1447 O GLU A 93 78.396 6.653 -0.772 1.00 0.00 O ATOM 1448 CB GLU A 93 77.172 9.535 -1.780 1.00 0.00 C ATOM 1449 CG GLU A 93 77.731 9.715 -0.365 1.00 0.00 C ATOM 1450 CD GLU A 93 77.648 11.182 0.051 1.00 0.00 C ATOM 1451 OE1 GLU A 93 76.542 11.673 0.204 1.00 0.00 O ATOM 1452 OE2 GLU A 93 78.692 11.795 0.211 1.00 0.00 O ATOM 0 H GLU A 93 76.557 7.284 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 93 78.853 8.416 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 93 77.402 10.411 -2.386 1.00 0.00 H new ATOM 0 HB3 GLU A 93 76.086 9.449 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 93 77.170 9.098 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 93 78.767 9.377 -0.329 1.00 0.00 H new ATOM 1459 N GLU A 94 76.323 6.500 -1.637 1.00 0.00 N ATOM 1460 CA GLU A 94 75.961 5.331 -0.839 1.00 0.00 C ATOM 1461 C GLU A 94 75.803 4.104 -1.732 1.00 0.00 C ATOM 1462 O GLU A 94 76.322 3.030 -1.426 1.00 0.00 O ATOM 1463 CB GLU A 94 74.650 5.597 -0.092 1.00 0.00 C ATOM 1464 CG GLU A 94 74.837 5.311 1.400 1.00 0.00 C ATOM 1465 CD GLU A 94 73.582 5.718 2.167 1.00 0.00 C ATOM 1466 OE1 GLU A 94 72.673 4.907 2.251 1.00 0.00 O ATOM 1467 OE2 GLU A 94 73.547 6.834 2.658 1.00 0.00 O ATOM 0 H GLU A 94 75.588 6.830 -2.262 1.00 0.00 H new ATOM 0 HA GLU A 94 76.757 5.141 -0.119 1.00 0.00 H new ATOM 0 HB2 GLU A 94 74.341 6.632 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 94 73.857 4.968 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.040 4.251 1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 94 75.700 5.859 1.779 1.00 0.00 H new ATOM 1474 N GLU A 95 75.078 4.274 -2.836 1.00 0.00 N ATOM 1475 CA GLU A 95 74.845 3.177 -3.773 1.00 0.00 C ATOM 1476 C GLU A 95 76.160 2.677 -4.365 1.00 0.00 C ATOM 1477 O GLU A 95 76.197 1.630 -5.012 1.00 0.00 O ATOM 1478 CB GLU A 95 73.915 3.634 -4.899 1.00 0.00 C ATOM 1479 CG GLU A 95 74.477 4.897 -5.558 1.00 0.00 C ATOM 1480 CD GLU A 95 73.447 5.483 -6.518 1.00 0.00 C ATOM 1481 OE1 GLU A 95 73.384 5.018 -7.645 1.00 0.00 O ATOM 1482 OE2 GLU A 95 72.735 6.388 -6.114 1.00 0.00 O ATOM 0 H GLU A 95 74.643 5.157 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 95 74.377 2.359 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 95 73.811 2.842 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 95 72.919 3.832 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 95 74.735 5.632 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.395 4.660 -6.096 1.00 0.00 H new ATOM 1489 N LEU A 96 77.234 3.426 -4.130 1.00 0.00 N ATOM 1490 CA LEU A 96 78.549 3.046 -4.636 1.00 0.00 C ATOM 1491 C LEU A 96 79.135 1.905 -3.802 1.00 0.00 C ATOM 1492 O LEU A 96 80.152 1.320 -4.167 1.00 0.00 O ATOM 1493 CB LEU A 96 79.503 4.254 -4.637 1.00 0.00 C ATOM 1494 CG LEU A 96 79.315 5.106 -3.374 1.00 0.00 C ATOM 1495 CD1 LEU A 96 79.697 4.298 -2.129 1.00 0.00 C ATOM 1496 CD2 LEU A 96 80.211 6.346 -3.468 1.00 0.00 C ATOM 0 H LEU A 96 77.220 4.295 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 96 78.432 2.701 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.535 3.907 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 96 79.322 4.864 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 96 78.270 5.405 -3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 96 79.559 4.913 -1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 96 79.063 3.414 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.741 3.991 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 96 80.083 6.956 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 96 81.253 6.037 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 96 79.935 6.928 -4.347 1.00 0.00 H new ATOM 1508 N ILE A 97 78.480 1.599 -2.681 1.00 0.00 N ATOM 1509 CA ILE A 97 78.934 0.526 -1.796 1.00 0.00 C ATOM 1510 C ILE A 97 78.252 -0.792 -2.156 1.00 0.00 C ATOM 1511 O ILE A 97 78.920 -1.781 -2.467 1.00 0.00 O ATOM 1512 CB ILE A 97 78.628 0.888 -0.333 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.790 1.705 0.242 1.00 0.00 C ATOM 1514 CG2 ILE A 97 78.449 -0.385 0.505 1.00 0.00 C ATOM 1515 CD1 ILE A 97 79.241 2.831 1.121 1.00 0.00 C ATOM 0 H ILE A 97 77.636 2.077 -2.365 1.00 0.00 H new ATOM 0 HA ILE A 97 80.010 0.407 -1.921 1.00 0.00 H new ATOM 0 HB ILE A 97 77.707 1.471 -0.300 1.00 0.00 H new ATOM 0 HG12 ILE A 97 80.446 1.061 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 97 80.390 2.121 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 97 78.233 -0.113 1.538 1.00 0.00 H new ATOM 0 HG22 ILE A 97 77.623 -0.972 0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 97 79.364 -0.976 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 97 80.069 3.411 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 97 78.603 3.481 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 97 78.660 2.404 1.938 1.00 0.00 H new ATOM 1527 N ARG A 98 76.922 -0.800 -2.107 1.00 0.00 N ATOM 1528 CA ARG A 98 76.156 -2.002 -2.425 1.00 0.00 C ATOM 1529 C ARG A 98 76.460 -2.481 -3.841 1.00 0.00 C ATOM 1530 O ARG A 98 76.488 -3.686 -4.107 1.00 0.00 O ATOM 1531 CB ARG A 98 74.653 -1.725 -2.282 1.00 0.00 C ATOM 1532 CG ARG A 98 74.259 -0.517 -3.139 1.00 0.00 C ATOM 1533 CD ARG A 98 72.833 -0.077 -2.789 1.00 0.00 C ATOM 1534 NE ARG A 98 72.860 0.991 -1.794 1.00 0.00 N ATOM 1535 CZ ARG A 98 72.086 2.067 -1.913 1.00 0.00 C ATOM 1536 NH1 ARG A 98 70.826 1.937 -2.230 1.00 0.00 N ATOM 1537 NH2 ARG A 98 72.586 3.256 -1.712 1.00 0.00 N ATOM 0 H ARG A 98 76.355 0.008 -1.851 1.00 0.00 H new ATOM 0 HA ARG A 98 76.446 -2.785 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 98 74.082 -2.601 -2.590 1.00 0.00 H new ATOM 0 HB3 ARG A 98 74.407 -1.536 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.955 0.304 -2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.321 -0.774 -4.197 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.321 0.267 -3.688 1.00 0.00 H new ATOM 0 HD3 ARG A 98 72.267 -0.926 -2.405 1.00 0.00 H new ATOM 0 HE ARG A 98 73.485 0.911 -0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 98 70.433 1.009 -2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 98 70.235 2.763 -2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 98 73.570 3.360 -1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 98 71.993 4.081 -1.803 1.00 0.00 H new ATOM 1551 N LYS A 99 76.697 -1.536 -4.746 1.00 0.00 N ATOM 1552 CA LYS A 99 77.006 -1.879 -6.128 1.00 0.00 C ATOM 1553 C LYS A 99 78.471 -2.280 -6.259 1.00 0.00 C ATOM 1554 O LYS A 99 78.817 -3.102 -7.104 1.00 0.00 O ATOM 1555 CB LYS A 99 76.694 -0.697 -7.053 1.00 0.00 C ATOM 1556 CG LYS A 99 77.855 0.302 -7.042 1.00 0.00 C ATOM 1557 CD LYS A 99 77.478 1.537 -7.866 1.00 0.00 C ATOM 1558 CE LYS A 99 78.707 2.035 -8.626 1.00 0.00 C ATOM 1559 NZ LYS A 99 78.950 1.157 -9.804 1.00 0.00 N ATOM 0 H LYS A 99 76.681 -0.535 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 99 76.385 -2.725 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 99 76.522 -1.055 -8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 99 75.777 -0.204 -6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 99 78.088 0.593 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 99 78.751 -0.162 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 99 76.679 1.291 -8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 99 77.098 2.322 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 99 78.555 3.064 -8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 99 79.578 2.033 -7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 79.170 1.743 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 79.751 0.524 -9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 78.100 0.590 -9.996 1.00 0.00 H new ATOM 1573 N ALA A 100 79.321 -1.728 -5.390 1.00 0.00 N ATOM 1574 CA ALA A 100 80.743 -2.069 -5.398 1.00 0.00 C ATOM 1575 C ALA A 100 80.913 -3.500 -4.922 1.00 0.00 C ATOM 1576 O ALA A 100 81.927 -4.144 -5.182 1.00 0.00 O ATOM 1577 CB ALA A 100 81.523 -1.130 -4.476 1.00 0.00 C ATOM 0 H ALA A 100 79.051 -1.049 -4.678 1.00 0.00 H new ATOM 0 HA ALA A 100 81.129 -1.963 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.580 -1.398 -4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.403 -0.102 -4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.143 -1.220 -3.458 1.00 0.00 H new ATOM 1583 N ILE A 101 79.889 -3.982 -4.230 1.00 0.00 N ATOM 1584 CA ILE A 101 79.882 -5.337 -3.709 1.00 0.00 C ATOM 1585 C ILE A 101 79.303 -6.295 -4.747 1.00 0.00 C ATOM 1586 O ILE A 101 79.694 -7.459 -4.817 1.00 0.00 O ATOM 1587 CB ILE A 101 79.036 -5.383 -2.429 1.00 0.00 C ATOM 1588 CG1 ILE A 101 79.794 -4.676 -1.298 1.00 0.00 C ATOM 1589 CG2 ILE A 101 78.759 -6.837 -2.029 1.00 0.00 C ATOM 1590 CD1 ILE A 101 78.802 -4.085 -0.295 1.00 0.00 C ATOM 0 H ILE A 101 79.047 -3.447 -4.017 1.00 0.00 H new ATOM 0 HA ILE A 101 80.904 -5.642 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 101 78.086 -4.880 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 101 80.455 -5.382 -0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 101 80.423 -3.886 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 101 78.158 -6.856 -1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 101 78.218 -7.339 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 101 79.703 -7.352 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 101 79.348 -3.585 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 101 78.159 -3.365 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 101 78.192 -4.884 0.127 1.00 0.00 H new ATOM 1602 N GLU A 102 78.342 -5.800 -5.527 1.00 0.00 N ATOM 1603 CA GLU A 102 77.672 -6.624 -6.532 1.00 0.00 C ATOM 1604 C GLU A 102 78.329 -6.566 -7.917 1.00 0.00 C ATOM 1605 O GLU A 102 77.982 -7.367 -8.786 1.00 0.00 O ATOM 1606 CB GLU A 102 76.214 -6.177 -6.652 1.00 0.00 C ATOM 1607 CG GLU A 102 75.299 -7.231 -6.020 1.00 0.00 C ATOM 1608 CD GLU A 102 75.706 -7.474 -4.568 1.00 0.00 C ATOM 1609 OE1 GLU A 102 75.612 -6.544 -3.781 1.00 0.00 O ATOM 1610 OE2 GLU A 102 76.110 -8.585 -4.263 1.00 0.00 O ATOM 0 H GLU A 102 78.011 -4.836 -5.482 1.00 0.00 H new ATOM 0 HA GLU A 102 77.749 -7.657 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 102 76.076 -5.216 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 102 75.952 -6.035 -7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 102 74.262 -6.898 -6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 102 75.359 -8.162 -6.584 1.00 0.00 H new ATOM 1617 N LEU A 103 79.243 -5.627 -8.152 1.00 0.00 N ATOM 1618 CA LEU A 103 79.861 -5.545 -9.478 1.00 0.00 C ATOM 1619 C LEU A 103 81.210 -6.271 -9.558 1.00 0.00 C ATOM 1620 O LEU A 103 81.330 -7.275 -10.262 1.00 0.00 O ATOM 1621 CB LEU A 103 79.986 -4.087 -9.962 1.00 0.00 C ATOM 1622 CG LEU A 103 80.847 -3.237 -9.018 1.00 0.00 C ATOM 1623 CD1 LEU A 103 82.277 -3.142 -9.561 1.00 0.00 C ATOM 1624 CD2 LEU A 103 80.253 -1.826 -8.946 1.00 0.00 C ATOM 0 H LEU A 103 79.564 -4.936 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 103 79.185 -6.068 -10.154 1.00 0.00 H new ATOM 0 HB2 LEU A 103 80.422 -4.073 -10.961 1.00 0.00 H new ATOM 0 HB3 LEU A 103 78.993 -3.646 -10.042 1.00 0.00 H new ATOM 0 HG LEU A 103 80.864 -3.696 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 103 82.883 -2.537 -8.886 1.00 0.00 H new ATOM 0 HD12 LEU A 103 82.705 -4.142 -9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 103 82.261 -2.679 -10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 103 80.856 -1.211 -8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 103 80.248 -1.382 -9.942 1.00 0.00 H new ATOM 0 HD23 LEU A 103 79.232 -1.880 -8.567 1.00 0.00 H new ATOM 1636 N SER A 104 82.229 -5.751 -8.878 1.00 0.00 N ATOM 1637 CA SER A 104 83.564 -6.353 -8.935 1.00 0.00 C ATOM 1638 C SER A 104 83.870 -7.232 -7.727 1.00 0.00 C ATOM 1639 O SER A 104 84.881 -7.936 -7.713 1.00 0.00 O ATOM 1640 CB SER A 104 84.617 -5.247 -9.033 1.00 0.00 C ATOM 1641 OG SER A 104 85.912 -5.832 -9.077 1.00 0.00 O ATOM 0 H SER A 104 82.161 -4.923 -8.286 1.00 0.00 H new ATOM 0 HA SER A 104 83.589 -6.993 -9.817 1.00 0.00 H new ATOM 0 HB2 SER A 104 84.447 -4.646 -9.926 1.00 0.00 H new ATOM 0 HB3 SER A 104 84.537 -4.577 -8.177 1.00 0.00 H new ATOM 0 HG SER A 104 85.868 -6.750 -8.737 1.00 0.00 H new ATOM 1647 N LEU A 105 83.029 -7.170 -6.704 1.00 0.00 N ATOM 1648 CA LEU A 105 83.274 -7.949 -5.497 1.00 0.00 C ATOM 1649 C LEU A 105 82.564 -9.300 -5.533 1.00 0.00 C ATOM 1650 O LEU A 105 83.108 -10.301 -5.067 1.00 0.00 O ATOM 1651 CB LEU A 105 82.816 -7.146 -4.279 1.00 0.00 C ATOM 1652 CG LEU A 105 84.024 -6.550 -3.536 1.00 0.00 C ATOM 1653 CD1 LEU A 105 85.090 -7.623 -3.301 1.00 0.00 C ATOM 1654 CD2 LEU A 105 84.627 -5.407 -4.361 1.00 0.00 C ATOM 0 H LEU A 105 82.184 -6.599 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 105 84.344 -8.149 -5.434 1.00 0.00 H new ATOM 0 HB2 LEU A 105 82.146 -6.346 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.249 -7.789 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 105 83.686 -6.169 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 105 85.938 -7.185 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.668 -8.430 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.424 -8.020 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 105 85.482 -4.988 -3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.951 -5.789 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.877 -4.631 -4.510 1.00 0.00 H new