USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 655 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: B 111 GLN : amide:sc= 0.972 K(o=3.2,f=-4.2!) USER MOD Set 1.2: B 114 LYS NZ :NH3+ -169:sc= 2.26 (180deg=1.53) USER MOD Set 2.1: A 51 ASN : amide:sc= 1.01 K(o=1.9,f=0.63) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -149:sc= 0.921 (180deg=-0.279!) USER MOD Set 3.1: A 30 GLN : amide:sc= 1.17 K(o=1.9,f=-3.9!) USER MOD Set 3.2: A 35 GLN : amide:sc= 0.613 K(o=1.9,f=-6.9!) USER MOD Set 3.3: A 40 HIS : +bothHN:sc= 0.0984 K(o=1.9,f=-2.4!) USER MOD Set 4.1: A 23 THR OG1 : rot 98:sc= 0.554 USER MOD Set 4.2: A 25 SER OG : rot -75:sc= 0.277 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 80:sc= -2.04! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0441 USER MOD Single : A 22 LYS NZ :NH3+ -137:sc= 1.1 (180deg=0.101) USER MOD Single : A 24 MET CE :methyl -171:sc= 0 (180deg=-0.131) USER MOD Single : A 34 SER OG : rot 180:sc= 0.195 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -3.13! C(o=-3.1!,f=-4.3!) USER MOD Single : A 42 TYR OH : rot 173:sc= 2.11 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.05) USER MOD Single : A 49 ASN : amide:sc= -0.137 K(o=-0.14,f=-3.3!) USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.18) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= -0.0182 (180deg=-0.127) USER MOD Single : A 55 ASN : amide:sc= -1.69! C(o=-1.7!,f=-4.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.472 K(o=0.47,f=-13!) USER MOD Single : A 70 THR OG1 : rot 116:sc= 0 USER MOD Single : A 71 THR OG1 : rot 81:sc= 0.984 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 75 LYS NZ :NH3+ -124:sc= 1.2 (180deg=-1.36!) USER MOD Single : A 79 TYR OH : rot 11:sc= 1.23 USER MOD Single : B 115 ASN : amide:sc= -0.0556 K(o=-0.056,f=-1.2!) USER MOD Single : B 118 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-3.1) USER MOD ----------------------------------------------------------------- ATOM 179 N GLY A 13 -4.054 9.629 3.959 1.00 0.00 N ATOM 180 CA GLY A 13 -4.189 9.296 2.571 1.00 0.00 C ATOM 181 C GLY A 13 -4.986 8.036 2.381 1.00 0.00 C ATOM 182 O GLY A 13 -5.091 7.526 1.274 1.00 0.00 O ATOM 0 HA2 GLY A 13 -4.675 10.118 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.201 9.173 2.128 1.00 0.00 H new ATOM 186 N GLU A 14 -5.561 7.541 3.473 1.00 0.00 N ATOM 187 CA GLU A 14 -6.410 6.350 3.448 1.00 0.00 C ATOM 188 C GLU A 14 -7.606 6.589 2.551 1.00 0.00 C ATOM 189 O GLU A 14 -8.055 5.703 1.835 1.00 0.00 O ATOM 190 CB GLU A 14 -6.941 6.003 4.842 1.00 0.00 C ATOM 191 CG GLU A 14 -5.902 5.690 5.896 1.00 0.00 C ATOM 192 CD GLU A 14 -6.553 5.269 7.190 1.00 0.00 C ATOM 193 OE1 GLU A 14 -6.822 4.077 7.382 1.00 0.00 O ATOM 194 OE2 GLU A 14 -6.856 6.134 8.033 1.00 0.00 O ATOM 0 H GLU A 14 -5.453 7.952 4.400 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.797 5.528 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.546 6.838 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.606 5.144 4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.246 4.896 5.540 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.278 6.567 6.068 1.00 0.00 H new ATOM 201 N ASN A 15 -8.083 7.816 2.570 1.00 0.00 N ATOM 202 CA ASN A 15 -9.261 8.195 1.835 1.00 0.00 C ATOM 203 C ASN A 15 -8.927 8.698 0.440 1.00 0.00 C ATOM 204 O ASN A 15 -9.785 9.273 -0.235 1.00 0.00 O ATOM 205 CB ASN A 15 -10.070 9.238 2.607 1.00 0.00 C ATOM 206 CG ASN A 15 -10.753 8.692 3.856 1.00 0.00 C ATOM 207 OD1 ASN A 15 -11.882 8.202 3.807 1.00 0.00 O ATOM 208 ND2 ASN A 15 -10.107 8.810 4.980 1.00 0.00 N ATOM 0 H ASN A 15 -7.659 8.578 3.099 1.00 0.00 H new ATOM 0 HA ASN A 15 -9.870 7.299 1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -9.409 10.056 2.895 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.827 9.658 1.945 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.535 8.493 5.850 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.173 9.220 4.991 1.00 0.00 H new ATOM 215 N TYR A 16 -7.686 8.499 0.006 1.00 0.00 N ATOM 216 CA TYR A 16 -7.323 8.814 -1.364 1.00 0.00 C ATOM 217 C TYR A 16 -7.865 7.705 -2.225 1.00 0.00 C ATOM 218 O TYR A 16 -7.317 6.616 -2.239 1.00 0.00 O ATOM 219 CB TYR A 16 -5.781 8.933 -1.541 1.00 0.00 C ATOM 220 CG TYR A 16 -5.307 9.021 -3.003 1.00 0.00 C ATOM 221 CD1 TYR A 16 -5.247 10.230 -3.672 1.00 0.00 C ATOM 222 CD2 TYR A 16 -4.927 7.870 -3.705 1.00 0.00 C ATOM 223 CE1 TYR A 16 -4.828 10.290 -4.991 1.00 0.00 C ATOM 224 CE2 TYR A 16 -4.505 7.928 -5.019 1.00 0.00 C ATOM 225 CZ TYR A 16 -4.461 9.147 -5.654 1.00 0.00 C ATOM 226 OH TYR A 16 -4.058 9.228 -6.971 1.00 0.00 O ATOM 0 H TYR A 16 -6.927 8.126 0.577 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.742 9.780 -1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -5.435 9.818 -1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.307 8.071 -1.071 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.530 11.138 -3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.965 6.913 -3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.790 11.242 -5.500 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.214 7.028 -5.541 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.125 9.526 -7.010 1.00 0.00 H new ATOM 236 N ASP A 17 -8.931 7.965 -2.926 1.00 0.00 N ATOM 237 CA ASP A 17 -9.560 6.924 -3.716 1.00 0.00 C ATOM 238 C ASP A 17 -9.379 7.264 -5.180 1.00 0.00 C ATOM 239 O ASP A 17 -10.221 6.982 -6.038 1.00 0.00 O ATOM 240 CB ASP A 17 -11.046 6.779 -3.340 1.00 0.00 C ATOM 241 CG ASP A 17 -11.621 5.421 -3.719 1.00 0.00 C ATOM 242 OD1 ASP A 17 -12.129 5.245 -4.840 1.00 0.00 O ATOM 243 OD2 ASP A 17 -11.574 4.476 -2.882 1.00 0.00 O ATOM 0 H ASP A 17 -9.386 8.877 -2.973 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.092 5.961 -3.514 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.161 6.930 -2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.620 7.562 -3.836 1.00 0.00 H new ATOM 248 N GLY A 18 -8.247 7.877 -5.454 1.00 0.00 N ATOM 249 CA GLY A 18 -7.855 8.213 -6.798 1.00 0.00 C ATOM 250 C GLY A 18 -7.526 6.969 -7.606 1.00 0.00 C ATOM 251 O GLY A 18 -7.503 5.853 -7.068 1.00 0.00 O ATOM 0 H GLY A 18 -7.571 8.156 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.659 8.764 -7.286 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.987 8.872 -6.772 1.00 0.00 H new ATOM 255 N LYS A 19 -7.246 7.141 -8.873 1.00 0.00 N ATOM 256 CA LYS A 19 -7.009 5.997 -9.729 1.00 0.00 C ATOM 257 C LYS A 19 -5.550 5.910 -10.175 1.00 0.00 C ATOM 258 O LYS A 19 -5.232 5.293 -11.191 1.00 0.00 O ATOM 259 CB LYS A 19 -8.003 5.924 -10.936 1.00 0.00 C ATOM 260 CG LYS A 19 -7.872 6.972 -12.050 1.00 0.00 C ATOM 261 CD LYS A 19 -8.184 8.387 -11.588 1.00 0.00 C ATOM 262 CE LYS A 19 -8.219 9.354 -12.759 1.00 0.00 C ATOM 263 NZ LYS A 19 -8.476 10.736 -12.319 1.00 0.00 N ATOM 0 H LYS A 19 -7.176 8.048 -9.334 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.210 5.114 -9.122 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.901 4.939 -11.392 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.016 5.987 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.858 6.943 -12.448 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.543 6.708 -12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.145 8.400 -11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.432 8.711 -10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.270 9.313 -13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.993 9.046 -13.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.493 11.366 -13.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.394 10.780 -11.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.723 11.039 -11.668 1.00 0.00 H new ATOM 277 N ILE A 20 -4.663 6.492 -9.388 1.00 0.00 N ATOM 278 CA ILE A 20 -3.253 6.393 -9.668 1.00 0.00 C ATOM 279 C ILE A 20 -2.728 5.013 -9.351 1.00 0.00 C ATOM 280 O ILE A 20 -2.830 4.522 -8.224 1.00 0.00 O ATOM 281 CB ILE A 20 -2.416 7.554 -9.048 1.00 0.00 C ATOM 282 CG1 ILE A 20 -2.215 8.617 -10.115 1.00 0.00 C ATOM 283 CG2 ILE A 20 -1.072 7.095 -8.478 1.00 0.00 C ATOM 284 CD1 ILE A 20 -1.639 9.924 -9.609 1.00 0.00 C ATOM 0 H ILE A 20 -4.898 7.034 -8.556 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.127 6.528 -10.742 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.969 7.956 -8.199 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.554 8.219 -10.885 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.174 8.819 -10.592 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.541 7.952 -8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.242 6.358 -7.693 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.474 6.648 -9.272 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.531 10.620 -10.441 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.308 10.351 -8.862 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.663 9.742 -9.160 1.00 0.00 H new ATOM 296 N SER A 21 -2.240 4.398 -10.376 1.00 0.00 N ATOM 297 CA SER A 21 -1.760 3.045 -10.345 1.00 0.00 C ATOM 298 C SER A 21 -0.239 2.971 -10.519 1.00 0.00 C ATOM 299 O SER A 21 0.346 1.884 -10.614 1.00 0.00 O ATOM 300 CB SER A 21 -2.463 2.322 -11.469 1.00 0.00 C ATOM 301 OG SER A 21 -2.463 3.129 -12.650 1.00 0.00 O ATOM 0 H SER A 21 -2.159 4.834 -11.294 1.00 0.00 H new ATOM 0 HA SER A 21 -1.972 2.589 -9.378 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.966 1.373 -11.668 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.487 2.090 -11.178 1.00 0.00 H new ATOM 0 HG SER A 21 -2.920 2.650 -13.373 1.00 0.00 H new ATOM 307 N LYS A 22 0.394 4.114 -10.574 1.00 0.00 N ATOM 308 CA LYS A 22 1.823 4.170 -10.749 1.00 0.00 C ATOM 309 C LYS A 22 2.434 4.770 -9.502 1.00 0.00 C ATOM 310 O LYS A 22 1.885 5.732 -8.939 1.00 0.00 O ATOM 311 CB LYS A 22 2.162 4.957 -12.008 1.00 0.00 C ATOM 312 CG LYS A 22 1.613 4.316 -13.294 1.00 0.00 C ATOM 313 CD LYS A 22 2.453 3.186 -13.842 1.00 0.00 C ATOM 314 CE LYS A 22 1.879 2.732 -15.186 1.00 0.00 C ATOM 315 NZ LYS A 22 2.638 1.627 -15.802 1.00 0.00 N ATOM 0 H LYS A 22 -0.060 5.024 -10.500 1.00 0.00 H new ATOM 0 HA LYS A 22 2.240 3.172 -10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.763 5.967 -11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.245 5.049 -12.090 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.608 3.942 -13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.522 5.087 -14.059 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.485 3.513 -13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.465 2.353 -13.139 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.845 2.418 -15.044 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.864 3.579 -15.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.754 1.810 -16.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.574 1.557 -15.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.122 0.734 -15.667 1.00 0.00 H new ATOM 329 N THR A 23 3.551 4.233 -9.083 1.00 0.00 N ATOM 330 CA THR A 23 4.105 4.544 -7.786 1.00 0.00 C ATOM 331 C THR A 23 4.977 5.813 -7.823 1.00 0.00 C ATOM 332 O THR A 23 4.955 6.545 -8.816 1.00 0.00 O ATOM 333 CB THR A 23 4.897 3.335 -7.315 1.00 0.00 C ATOM 334 OG1 THR A 23 5.956 3.095 -8.246 1.00 0.00 O ATOM 335 CG2 THR A 23 3.989 2.103 -7.262 1.00 0.00 C ATOM 0 H THR A 23 4.102 3.570 -9.628 1.00 0.00 H new ATOM 0 HA THR A 23 3.299 4.758 -7.084 1.00 0.00 H new ATOM 0 HB THR A 23 5.298 3.525 -6.320 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.784 3.496 -7.910 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.564 1.241 -6.924 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.168 2.286 -6.569 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.588 1.904 -8.256 1.00 0.00 H new ATOM 343 N MET A 24 5.746 6.071 -6.755 1.00 0.00 N ATOM 344 CA MET A 24 6.572 7.266 -6.654 1.00 0.00 C ATOM 345 C MET A 24 7.632 7.298 -7.738 1.00 0.00 C ATOM 346 O MET A 24 8.043 8.364 -8.174 1.00 0.00 O ATOM 347 CB MET A 24 7.192 7.419 -5.232 1.00 0.00 C ATOM 348 CG MET A 24 8.328 6.463 -4.835 1.00 0.00 C ATOM 349 SD MET A 24 9.933 6.896 -5.569 1.00 0.00 S ATOM 350 CE MET A 24 10.975 5.616 -4.873 1.00 0.00 C ATOM 0 H MET A 24 5.807 5.455 -5.944 1.00 0.00 H new ATOM 0 HA MET A 24 5.922 8.127 -6.811 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.565 8.439 -5.138 1.00 0.00 H new ATOM 0 HB3 MET A 24 6.389 7.305 -4.503 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.424 6.457 -3.749 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.061 5.450 -5.137 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.019 5.834 -5.098 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.836 5.581 -3.792 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.705 4.652 -5.305 1.00 0.00 H new ATOM 360 N SER A 25 8.067 6.133 -8.170 1.00 0.00 N ATOM 361 CA SER A 25 9.019 6.047 -9.222 1.00 0.00 C ATOM 362 C SER A 25 8.328 5.823 -10.570 1.00 0.00 C ATOM 363 O SER A 25 8.973 5.766 -11.620 1.00 0.00 O ATOM 364 CB SER A 25 10.052 4.974 -8.906 1.00 0.00 C ATOM 365 OG SER A 25 9.438 3.747 -8.529 1.00 0.00 O ATOM 0 H SER A 25 7.765 5.234 -7.796 1.00 0.00 H new ATOM 0 HA SER A 25 9.550 6.995 -9.303 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.686 4.811 -9.778 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.700 5.319 -8.101 1.00 0.00 H new ATOM 0 HG SER A 25 9.091 3.822 -7.615 1.00 0.00 H new ATOM 371 N GLY A 26 7.007 5.746 -10.529 1.00 0.00 N ATOM 372 CA GLY A 26 6.224 5.545 -11.716 1.00 0.00 C ATOM 373 C GLY A 26 6.158 4.105 -12.123 1.00 0.00 C ATOM 374 O GLY A 26 5.938 3.794 -13.296 1.00 0.00 O ATOM 0 H GLY A 26 6.459 5.822 -9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.214 5.918 -11.548 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.649 6.130 -12.531 1.00 0.00 H new ATOM 378 N LEU A 27 6.364 3.226 -11.176 1.00 0.00 N ATOM 379 CA LEU A 27 6.285 1.823 -11.429 1.00 0.00 C ATOM 380 C LEU A 27 4.838 1.398 -11.431 1.00 0.00 C ATOM 381 O LEU A 27 3.977 2.116 -10.941 1.00 0.00 O ATOM 382 CB LEU A 27 7.054 1.034 -10.375 1.00 0.00 C ATOM 383 CG LEU A 27 8.586 1.215 -10.336 1.00 0.00 C ATOM 384 CD1 LEU A 27 9.214 0.352 -9.244 1.00 0.00 C ATOM 385 CD2 LEU A 27 9.211 0.889 -11.685 1.00 0.00 C ATOM 0 H LEU A 27 6.590 3.469 -10.212 1.00 0.00 H new ATOM 0 HA LEU A 27 6.733 1.617 -12.401 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.657 1.303 -9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.843 -0.025 -10.525 1.00 0.00 H new ATOM 0 HG LEU A 27 8.785 2.262 -10.107 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.294 0.500 -9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.805 0.637 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.992 -0.698 -9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.291 1.025 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.989 -0.145 -11.948 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.801 1.553 -12.446 1.00 0.00 H new ATOM 397 N GLU A 28 4.583 0.254 -11.970 1.00 0.00 N ATOM 398 CA GLU A 28 3.240 -0.277 -12.066 1.00 0.00 C ATOM 399 C GLU A 28 2.884 -0.920 -10.729 1.00 0.00 C ATOM 400 O GLU A 28 3.640 -1.788 -10.227 1.00 0.00 O ATOM 401 CB GLU A 28 3.225 -1.369 -13.135 1.00 0.00 C ATOM 402 CG GLU A 28 1.861 -1.955 -13.440 1.00 0.00 C ATOM 403 CD GLU A 28 1.007 -1.015 -14.226 1.00 0.00 C ATOM 404 OE1 GLU A 28 1.274 -0.857 -15.438 1.00 0.00 O ATOM 405 OE2 GLU A 28 0.055 -0.452 -13.691 1.00 0.00 O ATOM 0 H GLU A 28 5.300 -0.355 -12.364 1.00 0.00 H new ATOM 0 HA GLU A 28 2.535 0.515 -12.316 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.641 -0.960 -14.056 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.886 -2.175 -12.817 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.983 -2.884 -13.996 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.358 -2.206 -12.506 1.00 0.00 H new ATOM 412 N CYS A 29 1.792 -0.525 -10.155 1.00 0.00 N ATOM 413 CA CYS A 29 1.347 -1.126 -8.926 1.00 0.00 C ATOM 414 C CYS A 29 0.676 -2.449 -9.177 1.00 0.00 C ATOM 415 O CYS A 29 0.068 -2.669 -10.233 1.00 0.00 O ATOM 416 CB CYS A 29 0.420 -0.204 -8.146 1.00 0.00 C ATOM 417 SG CYS A 29 -0.439 -0.989 -6.736 1.00 0.00 S ATOM 0 H CYS A 29 1.187 0.213 -10.515 1.00 0.00 H new ATOM 0 HA CYS A 29 2.236 -1.298 -8.319 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.000 0.641 -7.775 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.328 0.199 -8.830 1.00 0.00 H new ATOM 422 N GLN A 30 0.824 -3.320 -8.227 1.00 0.00 N ATOM 423 CA GLN A 30 0.206 -4.615 -8.223 1.00 0.00 C ATOM 424 C GLN A 30 -1.200 -4.485 -7.669 1.00 0.00 C ATOM 425 O GLN A 30 -1.397 -3.887 -6.611 1.00 0.00 O ATOM 426 CB GLN A 30 0.984 -5.599 -7.335 1.00 0.00 C ATOM 427 CG GLN A 30 0.220 -6.902 -7.122 1.00 0.00 C ATOM 428 CD GLN A 30 0.775 -7.812 -6.057 1.00 0.00 C ATOM 429 OE1 GLN A 30 1.389 -7.388 -5.077 1.00 0.00 O ATOM 430 NE2 GLN A 30 0.520 -9.061 -6.209 1.00 0.00 N ATOM 0 H GLN A 30 1.398 -3.145 -7.403 1.00 0.00 H new ATOM 0 HA GLN A 30 0.195 -4.993 -9.245 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.949 -5.815 -7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.186 -5.135 -6.370 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.812 -6.660 -6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.196 -7.447 -8.065 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.009 -9.381 -7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.828 -9.734 -5.507 1.00 0.00 H new ATOM 439 N ALA A 31 -2.154 -5.039 -8.376 1.00 0.00 N ATOM 440 CA ALA A 31 -3.524 -5.050 -7.936 1.00 0.00 C ATOM 441 C ALA A 31 -3.646 -5.741 -6.585 1.00 0.00 C ATOM 442 O ALA A 31 -3.104 -6.836 -6.379 1.00 0.00 O ATOM 443 CB ALA A 31 -4.390 -5.746 -8.961 1.00 0.00 C ATOM 0 H ALA A 31 -2.000 -5.496 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.864 -4.020 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.425 -5.750 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.323 -5.218 -9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.047 -6.772 -9.091 1.00 0.00 H new ATOM 449 N TRP A 32 -4.357 -5.106 -5.678 1.00 0.00 N ATOM 450 CA TRP A 32 -4.556 -5.600 -4.333 1.00 0.00 C ATOM 451 C TRP A 32 -5.283 -6.941 -4.350 1.00 0.00 C ATOM 452 O TRP A 32 -5.085 -7.788 -3.473 1.00 0.00 O ATOM 453 CB TRP A 32 -5.359 -4.591 -3.519 1.00 0.00 C ATOM 454 CG TRP A 32 -4.744 -3.220 -3.446 1.00 0.00 C ATOM 455 CD1 TRP A 32 -5.149 -2.114 -4.121 1.00 0.00 C ATOM 456 CD2 TRP A 32 -3.624 -2.810 -2.653 1.00 0.00 C ATOM 457 NE1 TRP A 32 -4.362 -1.049 -3.806 1.00 0.00 N ATOM 458 CE2 TRP A 32 -3.416 -1.442 -2.911 1.00 0.00 C ATOM 459 CE3 TRP A 32 -2.778 -3.460 -1.754 1.00 0.00 C ATOM 460 CZ2 TRP A 32 -2.403 -0.713 -2.303 1.00 0.00 C ATOM 461 CZ3 TRP A 32 -1.774 -2.733 -1.153 1.00 0.00 C ATOM 462 CH2 TRP A 32 -1.595 -1.373 -1.430 1.00 0.00 C ATOM 0 H TRP A 32 -4.821 -4.216 -5.858 1.00 0.00 H new ATOM 0 HA TRP A 32 -3.578 -5.740 -3.873 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -6.356 -4.506 -3.951 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -5.482 -4.975 -2.506 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.979 -2.083 -4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.465 -0.106 -4.181 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -2.907 -4.509 -1.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.262 0.337 -2.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.112 -3.222 -0.454 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.797 -0.835 -0.940 1.00 0.00 H new ATOM 473 N ASP A 33 -6.077 -7.139 -5.378 1.00 0.00 N ATOM 474 CA ASP A 33 -6.861 -8.351 -5.555 1.00 0.00 C ATOM 475 C ASP A 33 -6.062 -9.428 -6.293 1.00 0.00 C ATOM 476 O ASP A 33 -6.591 -10.499 -6.611 1.00 0.00 O ATOM 477 CB ASP A 33 -8.171 -8.047 -6.317 1.00 0.00 C ATOM 478 CG ASP A 33 -7.956 -7.486 -7.718 1.00 0.00 C ATOM 479 OD1 ASP A 33 -7.711 -6.265 -7.852 1.00 0.00 O ATOM 480 OD2 ASP A 33 -8.075 -8.247 -8.721 1.00 0.00 O ATOM 0 H ASP A 33 -6.201 -6.457 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.109 -8.730 -4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.758 -8.962 -6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.760 -7.335 -5.738 1.00 0.00 H new ATOM 485 N SER A 34 -4.800 -9.165 -6.546 1.00 0.00 N ATOM 486 CA SER A 34 -3.959 -10.088 -7.229 1.00 0.00 C ATOM 487 C SER A 34 -2.834 -10.533 -6.304 1.00 0.00 C ATOM 488 O SER A 34 -2.487 -9.829 -5.349 1.00 0.00 O ATOM 489 CB SER A 34 -3.387 -9.425 -8.484 1.00 0.00 C ATOM 490 OG SER A 34 -2.541 -10.303 -9.198 1.00 0.00 O ATOM 0 H SER A 34 -4.337 -8.297 -6.277 1.00 0.00 H new ATOM 0 HA SER A 34 -4.537 -10.963 -7.525 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.204 -9.101 -9.129 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.830 -8.531 -8.202 1.00 0.00 H new ATOM 0 HG SER A 34 -2.194 -9.848 -9.994 1.00 0.00 H new ATOM 496 N GLN A 35 -2.290 -11.702 -6.565 1.00 0.00 N ATOM 497 CA GLN A 35 -1.173 -12.218 -5.805 1.00 0.00 C ATOM 498 C GLN A 35 0.015 -12.391 -6.729 1.00 0.00 C ATOM 499 O GLN A 35 0.999 -13.046 -6.392 1.00 0.00 O ATOM 500 CB GLN A 35 -1.520 -13.548 -5.137 1.00 0.00 C ATOM 501 CG GLN A 35 -2.720 -13.488 -4.219 1.00 0.00 C ATOM 502 CD GLN A 35 -2.560 -12.466 -3.123 1.00 0.00 C ATOM 503 OE1 GLN A 35 -1.470 -12.179 -2.682 1.00 0.00 O ATOM 504 NE2 GLN A 35 -3.637 -11.913 -2.683 1.00 0.00 N ATOM 0 H GLN A 35 -2.610 -12.321 -7.310 1.00 0.00 H new ATOM 0 HA GLN A 35 -0.929 -11.508 -5.015 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.706 -14.292 -5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.657 -13.891 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.609 -13.252 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.882 -14.470 -3.774 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.542 -12.175 -3.074 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.585 -11.213 -1.943 1.00 0.00 H new ATOM 513 N SER A 36 -0.084 -11.786 -7.882 1.00 0.00 N ATOM 514 CA SER A 36 0.954 -11.804 -8.862 1.00 0.00 C ATOM 515 C SER A 36 1.418 -10.374 -9.042 1.00 0.00 C ATOM 516 O SER A 36 0.591 -9.480 -9.170 1.00 0.00 O ATOM 517 CB SER A 36 0.413 -12.351 -10.182 1.00 0.00 C ATOM 518 OG SER A 36 -0.147 -13.643 -10.004 1.00 0.00 O ATOM 0 H SER A 36 -0.908 -11.257 -8.167 1.00 0.00 H new ATOM 0 HA SER A 36 1.779 -12.442 -8.546 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.344 -11.674 -10.578 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.216 -12.397 -10.918 1.00 0.00 H new ATOM 0 HG SER A 36 -0.488 -13.973 -10.861 1.00 0.00 H new ATOM 524 N PRO A 37 2.727 -10.121 -8.980 1.00 0.00 N ATOM 525 CA PRO A 37 3.750 -11.171 -8.742 1.00 0.00 C ATOM 526 C PRO A 37 3.873 -11.510 -7.254 1.00 0.00 C ATOM 527 O PRO A 37 4.173 -12.629 -6.875 1.00 0.00 O ATOM 528 CB PRO A 37 5.041 -10.463 -9.184 1.00 0.00 C ATOM 529 CG PRO A 37 4.744 -9.036 -8.922 1.00 0.00 C ATOM 530 CD PRO A 37 3.346 -8.855 -9.387 1.00 0.00 C ATOM 0 HA PRO A 37 3.522 -12.103 -9.258 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.905 -10.807 -8.615 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.260 -10.643 -10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.844 -8.798 -7.863 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.429 -8.382 -9.462 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.867 -7.996 -8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.290 -8.701 -10.465 1.00 0.00 H new ATOM 538 N HIS A 38 3.597 -10.531 -6.439 1.00 0.00 N ATOM 539 CA HIS A 38 3.810 -10.624 -5.016 1.00 0.00 C ATOM 540 C HIS A 38 2.630 -11.190 -4.253 1.00 0.00 C ATOM 541 O HIS A 38 1.537 -10.622 -4.263 1.00 0.00 O ATOM 542 CB HIS A 38 4.233 -9.266 -4.459 1.00 0.00 C ATOM 543 CG HIS A 38 5.618 -8.880 -4.867 1.00 0.00 C ATOM 544 ND1 HIS A 38 5.901 -7.896 -5.788 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.812 -9.394 -4.501 1.00 0.00 C ATOM 546 CE1 HIS A 38 7.198 -7.844 -5.972 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.776 -8.736 -5.206 1.00 0.00 N ATOM 0 H HIS A 38 3.214 -9.636 -6.743 1.00 0.00 H new ATOM 0 HA HIS A 38 4.616 -11.343 -4.869 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.533 -8.504 -4.801 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.173 -9.290 -3.371 1.00 0.00 H new ATOM 0 HD1 HIS A 38 5.213 -7.303 -6.252 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.974 -10.183 -3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.708 -7.173 -6.647 1.00 0.00 H new ATOM 556 N ALA A 39 2.863 -12.305 -3.587 1.00 0.00 N ATOM 557 CA ALA A 39 1.857 -12.931 -2.757 1.00 0.00 C ATOM 558 C ALA A 39 1.760 -12.128 -1.486 1.00 0.00 C ATOM 559 O ALA A 39 2.719 -12.046 -0.720 1.00 0.00 O ATOM 560 CB ALA A 39 2.234 -14.374 -2.453 1.00 0.00 C ATOM 0 H ALA A 39 3.755 -12.800 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 39 0.896 -12.950 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.465 -14.827 -1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.319 -14.932 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.189 -14.398 -1.928 1.00 0.00 H new ATOM 566 N HIS A 40 0.645 -11.505 -1.272 1.00 0.00 N ATOM 567 CA HIS A 40 0.526 -10.591 -0.167 1.00 0.00 C ATOM 568 C HIS A 40 -0.683 -10.888 0.682 1.00 0.00 C ATOM 569 O HIS A 40 -1.635 -11.508 0.219 1.00 0.00 O ATOM 570 CB HIS A 40 0.499 -9.125 -0.664 1.00 0.00 C ATOM 571 CG HIS A 40 -0.653 -8.747 -1.581 1.00 0.00 C ATOM 572 ND1 HIS A 40 -0.504 -7.919 -2.657 1.00 0.00 N ATOM 573 CD2 HIS A 40 -1.990 -8.982 -1.493 1.00 0.00 C ATOM 574 CE1 HIS A 40 -1.685 -7.660 -3.156 1.00 0.00 C ATOM 575 NE2 HIS A 40 -2.588 -8.293 -2.474 1.00 0.00 N ATOM 0 H HIS A 40 -0.195 -11.607 -1.841 1.00 0.00 H new ATOM 0 HA HIS A 40 1.406 -10.728 0.461 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.473 -8.469 0.206 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.434 -8.924 -1.188 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.382 -7.561 -3.013 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.481 -9.610 -0.764 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.878 -7.019 -4.004 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.592 -8.270 -2.655 1.00 0.00 H new ATOM 584 N GLY A 41 -0.663 -10.411 1.894 1.00 0.00 N ATOM 585 CA GLY A 41 -1.767 -10.593 2.771 1.00 0.00 C ATOM 586 C GLY A 41 -2.743 -9.445 2.732 1.00 0.00 C ATOM 587 O GLY A 41 -3.620 -9.346 3.584 1.00 0.00 O ATOM 0 H GLY A 41 0.117 -9.889 2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.287 -11.514 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.399 -10.716 3.790 1.00 0.00 H new ATOM 591 N TYR A 42 -2.634 -8.571 1.733 1.00 0.00 N ATOM 592 CA TYR A 42 -3.535 -7.462 1.654 1.00 0.00 C ATOM 593 C TYR A 42 -4.670 -7.843 0.760 1.00 0.00 C ATOM 594 O TYR A 42 -4.705 -7.496 -0.412 1.00 0.00 O ATOM 595 CB TYR A 42 -2.842 -6.182 1.175 1.00 0.00 C ATOM 596 CG TYR A 42 -1.856 -5.568 2.158 1.00 0.00 C ATOM 597 CD1 TYR A 42 -0.612 -6.140 2.388 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.159 -4.384 2.820 1.00 0.00 C ATOM 599 CE1 TYR A 42 0.302 -5.551 3.240 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.256 -3.796 3.686 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.026 -4.383 3.891 1.00 0.00 C ATOM 602 OH TYR A 42 0.906 -3.772 4.701 1.00 0.00 O ATOM 0 H TYR A 42 -1.939 -8.621 0.988 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.911 -7.235 2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.315 -6.400 0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -3.606 -5.441 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.354 -7.063 1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.118 -3.915 2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.270 -6.005 3.395 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.513 -2.881 4.199 1.00 0.00 H new ATOM 0 HH TYR A 42 0.566 -2.900 4.991 1.00 0.00 H new ATOM 612 N ILE A 43 -5.498 -8.690 1.286 1.00 0.00 N ATOM 613 CA ILE A 43 -6.651 -9.177 0.582 1.00 0.00 C ATOM 614 C ILE A 43 -7.783 -8.165 0.788 1.00 0.00 C ATOM 615 O ILE A 43 -8.116 -7.847 1.933 1.00 0.00 O ATOM 616 CB ILE A 43 -7.111 -10.551 1.166 1.00 0.00 C ATOM 617 CG1 ILE A 43 -5.911 -11.500 1.399 1.00 0.00 C ATOM 618 CG2 ILE A 43 -8.131 -11.212 0.242 1.00 0.00 C ATOM 619 CD1 ILE A 43 -5.167 -11.914 0.152 1.00 0.00 C ATOM 0 H ILE A 43 -5.395 -9.070 2.227 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.408 -9.304 -0.473 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.579 -10.357 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.210 -11.013 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.270 -12.397 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.440 -12.168 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.001 -10.564 0.137 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.682 -11.377 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.345 -12.578 0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.848 -12.435 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.770 -11.029 -0.346 1.00 0.00 H new ATOM 631 N PRO A 44 -8.402 -7.653 -0.287 1.00 0.00 N ATOM 632 CA PRO A 44 -9.508 -6.677 -0.181 1.00 0.00 C ATOM 633 C PRO A 44 -10.740 -7.254 0.531 1.00 0.00 C ATOM 634 O PRO A 44 -11.642 -6.528 0.905 1.00 0.00 O ATOM 635 CB PRO A 44 -9.843 -6.342 -1.639 1.00 0.00 C ATOM 636 CG PRO A 44 -8.640 -6.753 -2.415 1.00 0.00 C ATOM 637 CD PRO A 44 -8.066 -7.935 -1.694 1.00 0.00 C ATOM 0 HA PRO A 44 -9.218 -5.810 0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.731 -6.879 -1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.048 -5.279 -1.763 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.907 -7.013 -3.439 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.915 -5.941 -2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.508 -8.871 -2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.990 -8.017 -1.844 1.00 0.00 H new ATOM 645 N SER A 45 -10.747 -8.556 0.726 1.00 0.00 N ATOM 646 CA SER A 45 -11.813 -9.233 1.392 1.00 0.00 C ATOM 647 C SER A 45 -11.640 -9.127 2.908 1.00 0.00 C ATOM 648 O SER A 45 -12.614 -9.117 3.659 1.00 0.00 O ATOM 649 CB SER A 45 -11.794 -10.686 0.955 1.00 0.00 C ATOM 650 OG SER A 45 -11.825 -10.766 -0.467 1.00 0.00 O ATOM 0 H SER A 45 -9.996 -9.173 0.417 1.00 0.00 H new ATOM 0 HA SER A 45 -12.769 -8.779 1.133 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.899 -11.178 1.336 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.650 -11.213 1.376 1.00 0.00 H new ATOM 0 HG SER A 45 -11.811 -11.706 -0.742 1.00 0.00 H new ATOM 656 N LYS A 46 -10.400 -9.029 3.357 1.00 0.00 N ATOM 657 CA LYS A 46 -10.129 -8.961 4.746 1.00 0.00 C ATOM 658 C LYS A 46 -9.996 -7.515 5.186 1.00 0.00 C ATOM 659 O LYS A 46 -10.111 -7.207 6.367 1.00 0.00 O ATOM 660 CB LYS A 46 -8.899 -9.787 5.084 1.00 0.00 C ATOM 661 CG LYS A 46 -7.570 -9.226 4.609 1.00 0.00 C ATOM 662 CD LYS A 46 -6.423 -10.193 4.870 1.00 0.00 C ATOM 663 CE LYS A 46 -6.153 -10.392 6.353 1.00 0.00 C ATOM 664 NZ LYS A 46 -5.084 -11.383 6.582 1.00 0.00 N ATOM 0 H LYS A 46 -9.574 -8.996 2.760 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.965 -9.389 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.854 -9.909 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.025 -10.782 4.656 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.627 -9.009 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.372 -8.282 5.116 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.653 -11.156 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.520 -9.819 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.870 -9.440 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.066 -10.720 6.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.669 -11.234 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.482 -12.342 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.347 -11.272 5.857 1.00 0.00 H new ATOM 678 N PHE A 47 -9.760 -6.630 4.222 1.00 0.00 N ATOM 679 CA PHE A 47 -9.723 -5.190 4.486 1.00 0.00 C ATOM 680 C PHE A 47 -10.671 -4.464 3.504 1.00 0.00 C ATOM 681 O PHE A 47 -10.234 -3.603 2.730 1.00 0.00 O ATOM 682 CB PHE A 47 -8.292 -4.625 4.334 1.00 0.00 C ATOM 683 CG PHE A 47 -7.244 -5.319 5.165 1.00 0.00 C ATOM 684 CD1 PHE A 47 -7.376 -5.416 6.541 1.00 0.00 C ATOM 685 CD2 PHE A 47 -6.131 -5.886 4.562 1.00 0.00 C ATOM 686 CE1 PHE A 47 -6.421 -6.062 7.299 1.00 0.00 C ATOM 687 CE2 PHE A 47 -5.172 -6.531 5.316 1.00 0.00 C ATOM 688 CZ PHE A 47 -5.319 -6.619 6.685 1.00 0.00 C ATOM 0 H PHE A 47 -9.591 -6.883 3.248 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.046 -5.023 5.514 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.002 -4.687 3.285 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.304 -3.568 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.237 -4.981 7.026 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.014 -5.822 3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.536 -6.131 8.371 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.308 -6.966 4.835 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.570 -7.125 7.276 1.00 0.00 H new ATOM 698 N PRO A 48 -11.990 -4.779 3.530 1.00 0.00 N ATOM 699 CA PRO A 48 -12.946 -4.230 2.556 1.00 0.00 C ATOM 700 C PRO A 48 -13.239 -2.760 2.823 1.00 0.00 C ATOM 701 O PRO A 48 -13.380 -1.943 1.896 1.00 0.00 O ATOM 702 CB PRO A 48 -14.201 -5.078 2.801 1.00 0.00 C ATOM 703 CG PRO A 48 -14.117 -5.439 4.243 1.00 0.00 C ATOM 704 CD PRO A 48 -12.668 -5.662 4.518 1.00 0.00 C ATOM 0 HA PRO A 48 -12.576 -4.271 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -15.110 -4.518 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.213 -5.965 2.168 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.517 -4.642 4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.699 -6.335 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.407 -5.394 5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -12.389 -6.707 4.381 1.00 0.00 H new ATOM 712 N ASN A 49 -13.271 -2.430 4.091 1.00 0.00 N ATOM 713 CA ASN A 49 -13.574 -1.105 4.574 1.00 0.00 C ATOM 714 C ASN A 49 -12.501 -0.093 4.196 1.00 0.00 C ATOM 715 O ASN A 49 -12.728 1.104 4.274 1.00 0.00 O ATOM 716 CB ASN A 49 -13.744 -1.111 6.100 1.00 0.00 C ATOM 717 CG ASN A 49 -12.466 -1.463 6.868 1.00 0.00 C ATOM 718 OD1 ASN A 49 -11.632 -2.242 6.408 1.00 0.00 O ATOM 719 ND2 ASN A 49 -12.296 -0.873 8.021 1.00 0.00 N ATOM 0 H ASN A 49 -13.081 -3.097 4.839 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.507 -0.806 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.089 -0.128 6.421 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.524 -1.825 6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.453 -1.053 8.567 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -13.006 -0.232 8.376 1.00 0.00 H new ATOM 726 N LYS A 50 -11.334 -0.565 3.794 1.00 0.00 N ATOM 727 CA LYS A 50 -10.256 0.319 3.455 1.00 0.00 C ATOM 728 C LYS A 50 -10.273 0.694 1.982 1.00 0.00 C ATOM 729 O LYS A 50 -9.377 1.401 1.519 1.00 0.00 O ATOM 730 CB LYS A 50 -8.905 -0.294 3.853 1.00 0.00 C ATOM 731 CG LYS A 50 -8.684 -0.545 5.368 1.00 0.00 C ATOM 732 CD LYS A 50 -8.366 0.726 6.221 1.00 0.00 C ATOM 733 CE LYS A 50 -9.433 1.806 6.159 1.00 0.00 C ATOM 734 NZ LYS A 50 -9.182 2.920 7.082 1.00 0.00 N ATOM 0 H LYS A 50 -11.118 -1.557 3.697 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.396 1.239 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.792 -1.243 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.112 0.364 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.577 -1.020 5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.865 -1.254 5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.229 0.427 7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.419 1.148 5.884 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.492 2.192 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.402 1.364 6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.720 3.755 6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.482 2.651 8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.167 3.145 7.087 1.00 0.00 H new ATOM 748 N ASN A 51 -11.306 0.219 1.254 1.00 0.00 N ATOM 749 CA ASN A 51 -11.466 0.495 -0.184 1.00 0.00 C ATOM 750 C ASN A 51 -10.244 0.080 -0.961 1.00 0.00 C ATOM 751 O ASN A 51 -9.792 0.768 -1.889 1.00 0.00 O ATOM 752 CB ASN A 51 -11.769 1.952 -0.440 1.00 0.00 C ATOM 753 CG ASN A 51 -13.227 2.241 -0.663 1.00 0.00 C ATOM 754 OD1 ASN A 51 -14.121 1.602 -0.094 1.00 0.00 O ATOM 755 ND2 ASN A 51 -13.478 3.149 -1.556 1.00 0.00 N ATOM 0 H ASN A 51 -12.046 -0.363 1.646 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.314 -0.097 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.418 2.540 0.408 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.206 2.282 -1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -14.443 3.359 -1.813 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.711 3.653 -2.001 1.00 0.00 H new ATOM 762 N LEU A 52 -9.760 -1.064 -0.612 1.00 0.00 N ATOM 763 CA LEU A 52 -8.581 -1.638 -1.186 1.00 0.00 C ATOM 764 C LEU A 52 -8.978 -2.174 -2.554 1.00 0.00 C ATOM 765 O LEU A 52 -9.594 -3.238 -2.656 1.00 0.00 O ATOM 766 CB LEU A 52 -8.098 -2.764 -0.265 1.00 0.00 C ATOM 767 CG LEU A 52 -6.649 -3.187 -0.402 1.00 0.00 C ATOM 768 CD1 LEU A 52 -5.732 -2.062 0.055 1.00 0.00 C ATOM 769 CD2 LEU A 52 -6.389 -4.446 0.399 1.00 0.00 C ATOM 0 H LEU A 52 -10.187 -1.649 0.106 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.771 -0.916 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.265 -2.454 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.725 -3.638 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.442 -3.401 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.693 -2.375 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.907 -1.178 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.939 -1.825 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.344 -4.737 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.606 -4.260 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.029 -5.249 0.033 1.00 0.00 H new ATOM 781 N LYS A 53 -8.714 -1.404 -3.591 1.00 0.00 N ATOM 782 CA LYS A 53 -9.224 -1.738 -4.905 1.00 0.00 C ATOM 783 C LYS A 53 -8.191 -1.529 -5.976 1.00 0.00 C ATOM 784 O LYS A 53 -7.340 -0.634 -5.867 1.00 0.00 O ATOM 785 CB LYS A 53 -10.416 -0.856 -5.250 1.00 0.00 C ATOM 786 CG LYS A 53 -11.565 -0.841 -4.231 1.00 0.00 C ATOM 787 CD LYS A 53 -12.572 0.229 -4.555 1.00 0.00 C ATOM 788 CE LYS A 53 -12.000 1.599 -4.276 1.00 0.00 C ATOM 789 NZ LYS A 53 -12.892 2.675 -4.754 1.00 0.00 N ATOM 0 H LYS A 53 -8.155 -0.552 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.508 -2.790 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.060 0.166 -5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.815 -1.179 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.056 -1.814 -4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.164 -0.675 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.863 0.157 -5.603 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.474 0.078 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.836 1.713 -3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.027 1.692 -4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.322 3.497 -5.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.440 2.335 -5.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.542 2.951 -3.991 1.00 0.00 H new ATOM 803 N LYS A 54 -8.338 -2.324 -7.032 1.00 0.00 N ATOM 804 CA LYS A 54 -7.494 -2.298 -8.233 1.00 0.00 C ATOM 805 C LYS A 54 -6.012 -2.309 -7.860 1.00 0.00 C ATOM 806 O LYS A 54 -5.614 -2.985 -6.924 1.00 0.00 O ATOM 807 CB LYS A 54 -7.861 -1.065 -9.085 1.00 0.00 C ATOM 808 CG LYS A 54 -9.308 -1.047 -9.559 1.00 0.00 C ATOM 809 CD LYS A 54 -9.590 -2.152 -10.569 1.00 0.00 C ATOM 810 CE LYS A 54 -11.059 -2.179 -10.988 1.00 0.00 C ATOM 811 NZ LYS A 54 -11.547 -0.869 -11.506 1.00 0.00 N ATOM 0 H LYS A 54 -9.072 -3.030 -7.081 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.676 -3.195 -8.824 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.669 -0.164 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.204 -1.029 -9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.972 -1.161 -8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.531 -0.079 -10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.964 -2.008 -11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.317 -3.116 -10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.197 -2.940 -11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.668 -2.474 -10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.496 -0.989 -11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.588 -0.181 -10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.897 -0.522 -12.240 1.00 0.00 H new ATOM 825 N ASN A 55 -5.216 -1.629 -8.629 1.00 0.00 N ATOM 826 CA ASN A 55 -3.806 -1.462 -8.360 1.00 0.00 C ATOM 827 C ASN A 55 -3.572 0.013 -8.061 1.00 0.00 C ATOM 828 O ASN A 55 -2.564 0.606 -8.425 1.00 0.00 O ATOM 829 CB ASN A 55 -2.982 -1.906 -9.585 1.00 0.00 C ATOM 830 CG ASN A 55 -3.170 -1.037 -10.824 1.00 0.00 C ATOM 831 OD1 ASN A 55 -4.255 -0.487 -11.085 1.00 0.00 O ATOM 832 ND2 ASN A 55 -2.124 -0.889 -11.587 1.00 0.00 N ATOM 0 H ASN A 55 -5.528 -1.162 -9.481 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.495 -2.073 -7.512 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.926 -1.908 -9.315 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.249 -2.933 -9.833 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.181 -0.309 -12.424 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.248 -1.353 -11.347 1.00 0.00 H new ATOM 839 N TYR A 56 -4.521 0.590 -7.391 1.00 0.00 N ATOM 840 CA TYR A 56 -4.482 1.980 -7.079 1.00 0.00 C ATOM 841 C TYR A 56 -3.768 2.206 -5.777 1.00 0.00 C ATOM 842 O TYR A 56 -3.932 1.424 -4.845 1.00 0.00 O ATOM 843 CB TYR A 56 -5.900 2.527 -7.032 1.00 0.00 C ATOM 844 CG TYR A 56 -6.640 2.476 -8.364 1.00 0.00 C ATOM 845 CD1 TYR A 56 -5.963 2.397 -9.600 1.00 0.00 C ATOM 846 CD2 TYR A 56 -8.018 2.529 -8.390 1.00 0.00 C ATOM 847 CE1 TYR A 56 -6.664 2.365 -10.786 1.00 0.00 C ATOM 848 CE2 TYR A 56 -8.715 2.497 -9.575 1.00 0.00 C ATOM 849 CZ TYR A 56 -8.036 2.413 -10.768 1.00 0.00 C ATOM 850 OH TYR A 56 -8.738 2.372 -11.951 1.00 0.00 O ATOM 0 H TYR A 56 -5.348 0.104 -7.044 1.00 0.00 H new ATOM 0 HA TYR A 56 -3.929 2.511 -7.854 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.469 1.964 -6.292 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.866 3.561 -6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.884 2.361 -9.616 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -8.562 2.597 -7.459 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.136 2.302 -11.726 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -9.794 2.538 -9.569 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.699 2.414 -11.763 1.00 0.00 H new ATOM 860 N CYS A 57 -2.983 3.265 -5.712 1.00 0.00 N ATOM 861 CA CYS A 57 -2.229 3.590 -4.517 1.00 0.00 C ATOM 862 C CYS A 57 -3.162 3.914 -3.387 1.00 0.00 C ATOM 863 O CYS A 57 -3.868 4.918 -3.413 1.00 0.00 O ATOM 864 CB CYS A 57 -1.286 4.752 -4.763 1.00 0.00 C ATOM 865 SG CYS A 57 -0.004 4.421 -6.008 1.00 0.00 S ATOM 0 H CYS A 57 -2.851 3.921 -6.482 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.631 2.719 -4.249 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.869 5.617 -5.079 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.803 5.019 -3.823 1.00 0.00 H new ATOM 870 N ARG A 58 -3.176 3.076 -2.401 1.00 0.00 N ATOM 871 CA ARG A 58 -4.099 3.225 -1.315 1.00 0.00 C ATOM 872 C ARG A 58 -3.313 3.201 -0.026 1.00 0.00 C ATOM 873 O ARG A 58 -2.110 2.940 -0.042 1.00 0.00 O ATOM 874 CB ARG A 58 -5.188 2.097 -1.346 1.00 0.00 C ATOM 875 CG ARG A 58 -5.986 2.001 -2.667 1.00 0.00 C ATOM 876 CD ARG A 58 -6.722 3.303 -3.038 1.00 0.00 C ATOM 877 NE ARG A 58 -8.086 3.425 -2.466 1.00 0.00 N ATOM 878 CZ ARG A 58 -8.407 4.025 -1.298 1.00 0.00 C ATOM 879 NH1 ARG A 58 -7.471 4.347 -0.427 1.00 0.00 N ATOM 880 NH2 ARG A 58 -9.663 4.325 -1.036 1.00 0.00 N ATOM 0 H ARG A 58 -2.553 2.272 -2.323 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.630 4.173 -1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.703 1.139 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.887 2.264 -0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.304 1.736 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.713 1.193 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.124 4.151 -2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.790 3.370 -4.124 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.852 3.019 -3.004 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.493 4.144 -0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.725 4.799 0.451 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.392 4.104 -1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.906 4.778 -0.155 1.00 0.00 H new ATOM 894 N ASN A 59 -3.953 3.504 1.060 1.00 0.00 N ATOM 895 CA ASN A 59 -3.304 3.462 2.341 1.00 0.00 C ATOM 896 C ASN A 59 -4.274 2.805 3.304 1.00 0.00 C ATOM 897 O ASN A 59 -5.179 3.446 3.791 1.00 0.00 O ATOM 898 CB ASN A 59 -2.936 4.882 2.839 1.00 0.00 C ATOM 899 CG ASN A 59 -2.018 4.863 4.051 1.00 0.00 C ATOM 900 OD1 ASN A 59 -1.967 3.901 4.786 1.00 0.00 O ATOM 901 ND2 ASN A 59 -1.340 5.956 4.298 1.00 0.00 N ATOM 0 H ASN A 59 -4.933 3.786 1.089 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.371 2.902 2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.452 5.431 2.031 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.849 5.422 3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.749 6.013 5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.403 6.750 3.661 1.00 0.00 H new ATOM 908 N PRO A 60 -4.183 1.492 3.477 1.00 0.00 N ATOM 909 CA PRO A 60 -5.072 0.770 4.381 1.00 0.00 C ATOM 910 C PRO A 60 -4.532 0.660 5.810 1.00 0.00 C ATOM 911 O PRO A 60 -5.260 0.799 6.778 1.00 0.00 O ATOM 912 CB PRO A 60 -5.129 -0.615 3.745 1.00 0.00 C ATOM 913 CG PRO A 60 -3.777 -0.795 3.104 1.00 0.00 C ATOM 914 CD PRO A 60 -3.262 0.586 2.754 1.00 0.00 C ATOM 0 HA PRO A 60 -6.032 1.274 4.489 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.320 -1.386 4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.929 -0.680 3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.092 -1.300 3.785 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.854 -1.415 2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.230 0.723 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.287 0.763 1.679 1.00 0.00 H new ATOM 922 N ASP A 61 -3.263 0.430 5.908 1.00 0.00 N ATOM 923 CA ASP A 61 -2.588 0.148 7.150 1.00 0.00 C ATOM 924 C ASP A 61 -2.057 1.377 7.838 1.00 0.00 C ATOM 925 O ASP A 61 -1.474 1.287 8.919 1.00 0.00 O ATOM 926 CB ASP A 61 -1.474 -0.859 6.917 1.00 0.00 C ATOM 927 CG ASP A 61 -0.499 -0.501 5.807 1.00 0.00 C ATOM 928 OD1 ASP A 61 -0.637 0.565 5.154 1.00 0.00 O ATOM 929 OD2 ASP A 61 0.403 -1.314 5.555 1.00 0.00 O ATOM 0 H ASP A 61 -2.639 0.432 5.101 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.334 -0.274 7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.915 -0.979 7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.922 -1.826 6.687 1.00 0.00 H new ATOM 934 N ARG A 62 -2.309 2.516 7.249 1.00 0.00 N ATOM 935 CA ARG A 62 -1.899 3.816 7.771 1.00 0.00 C ATOM 936 C ARG A 62 -0.400 3.934 7.781 1.00 0.00 C ATOM 937 O ARG A 62 0.247 4.007 8.849 1.00 0.00 O ATOM 938 CB ARG A 62 -2.474 4.194 9.162 1.00 0.00 C ATOM 939 CG ARG A 62 -3.990 4.176 9.295 1.00 0.00 C ATOM 940 CD ARG A 62 -4.514 2.764 9.364 1.00 0.00 C ATOM 941 NE ARG A 62 -5.925 2.691 9.663 1.00 0.00 N ATOM 942 CZ ARG A 62 -6.424 1.994 10.688 1.00 0.00 C ATOM 943 NH1 ARG A 62 -5.602 1.470 11.584 1.00 0.00 N ATOM 944 NH2 ARG A 62 -7.726 1.876 10.853 1.00 0.00 N ATOM 0 H ARG A 62 -2.819 2.579 6.368 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.337 4.536 7.080 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.058 3.509 9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.120 5.193 9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.286 4.721 10.192 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.438 4.692 8.446 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.325 2.267 8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.960 2.215 10.125 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.574 3.198 9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.595 1.600 11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.976 0.937 12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.366 2.320 10.194 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.094 1.341 11.640 1.00 0.00 H new ATOM 958 N ASP A 63 0.166 3.830 6.621 1.00 0.00 N ATOM 959 CA ASP A 63 1.571 4.051 6.450 1.00 0.00 C ATOM 960 C ASP A 63 1.773 5.574 6.424 1.00 0.00 C ATOM 961 O ASP A 63 0.785 6.331 6.500 1.00 0.00 O ATOM 962 CB ASP A 63 2.051 3.414 5.143 1.00 0.00 C ATOM 963 CG ASP A 63 3.521 3.058 5.164 1.00 0.00 C ATOM 964 OD1 ASP A 63 4.384 3.957 5.283 1.00 0.00 O ATOM 965 OD2 ASP A 63 3.837 1.862 5.089 1.00 0.00 O ATOM 0 H ASP A 63 -0.331 3.589 5.763 1.00 0.00 H new ATOM 0 HA ASP A 63 2.147 3.599 7.257 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.468 2.514 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.861 4.102 4.319 1.00 0.00 H new ATOM 970 N LEU A 64 2.988 6.027 6.270 1.00 0.00 N ATOM 971 CA LEU A 64 3.297 7.460 6.330 1.00 0.00 C ATOM 972 C LEU A 64 2.797 8.184 5.084 1.00 0.00 C ATOM 973 O LEU A 64 2.648 9.418 5.070 1.00 0.00 O ATOM 974 CB LEU A 64 4.806 7.671 6.506 1.00 0.00 C ATOM 975 CG LEU A 64 5.424 7.071 7.776 1.00 0.00 C ATOM 976 CD1 LEU A 64 6.932 7.256 7.781 1.00 0.00 C ATOM 977 CD2 LEU A 64 4.808 7.689 9.025 1.00 0.00 C ATOM 0 H LEU A 64 3.798 5.431 6.100 1.00 0.00 H new ATOM 0 HA LEU A 64 2.780 7.883 7.192 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.316 7.246 5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.007 8.742 6.499 1.00 0.00 H new ATOM 0 HG LEU A 64 5.208 6.003 7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.349 6.823 8.690 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.363 6.758 6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.168 8.319 7.744 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.263 7.247 9.912 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.985 8.765 9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.735 7.498 9.034 1.00 0.00 H new ATOM 989 N ARG A 65 2.531 7.416 4.065 1.00 0.00 N ATOM 990 CA ARG A 65 2.059 7.899 2.808 1.00 0.00 C ATOM 991 C ARG A 65 1.470 6.713 2.078 1.00 0.00 C ATOM 992 O ARG A 65 1.929 5.594 2.312 1.00 0.00 O ATOM 993 CB ARG A 65 3.248 8.483 2.028 1.00 0.00 C ATOM 994 CG ARG A 65 2.927 8.987 0.641 1.00 0.00 C ATOM 995 CD ARG A 65 4.112 9.695 0.036 1.00 0.00 C ATOM 996 NE ARG A 65 4.447 10.907 0.782 1.00 0.00 N ATOM 997 CZ ARG A 65 5.153 11.927 0.307 1.00 0.00 C ATOM 998 NH1 ARG A 65 5.708 11.853 -0.891 1.00 0.00 N ATOM 999 NH2 ARG A 65 5.345 13.001 1.055 1.00 0.00 N ATOM 0 H ARG A 65 2.642 6.402 4.093 1.00 0.00 H new ATOM 0 HA ARG A 65 1.308 8.680 2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.672 9.304 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.020 7.718 1.949 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.635 8.151 0.005 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.076 9.667 0.685 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.971 9.024 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.894 9.952 -1.000 1.00 0.00 H new ATOM 0 HE ARG A 65 4.112 10.975 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.595 11.010 -1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.249 12.639 -1.252 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.951 13.045 1.995 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.887 13.785 0.692 1.00 0.00 H new ATOM 1013 N PRO A 66 0.386 6.902 1.269 1.00 0.00 N ATOM 1014 CA PRO A 66 -0.145 5.837 0.431 1.00 0.00 C ATOM 1015 C PRO A 66 0.940 5.216 -0.420 1.00 0.00 C ATOM 1016 O PRO A 66 1.946 5.862 -0.792 1.00 0.00 O ATOM 1017 CB PRO A 66 -1.191 6.535 -0.419 1.00 0.00 C ATOM 1018 CG PRO A 66 -1.670 7.607 0.477 1.00 0.00 C ATOM 1019 CD PRO A 66 -0.431 8.122 1.153 1.00 0.00 C ATOM 0 HA PRO A 66 -0.561 5.012 1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.765 6.936 -1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.995 5.859 -0.709 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.172 8.396 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.387 7.225 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.066 8.891 0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.650 8.560 2.127 1.00 0.00 H new ATOM 1027 N TRP A 67 0.714 4.027 -0.775 1.00 0.00 N ATOM 1028 CA TRP A 67 1.707 3.207 -1.334 1.00 0.00 C ATOM 1029 C TRP A 67 1.033 2.151 -2.146 1.00 0.00 C ATOM 1030 O TRP A 67 -0.203 2.166 -2.279 1.00 0.00 O ATOM 1031 CB TRP A 67 2.567 2.593 -0.194 1.00 0.00 C ATOM 1032 CG TRP A 67 1.767 1.792 0.809 1.00 0.00 C ATOM 1033 CD1 TRP A 67 1.113 2.264 1.919 1.00 0.00 C ATOM 1034 CD2 TRP A 67 1.537 0.387 0.783 1.00 0.00 C ATOM 1035 NE1 TRP A 67 0.488 1.229 2.567 1.00 0.00 N ATOM 1036 CE2 TRP A 67 0.732 0.072 1.885 1.00 0.00 C ATOM 1037 CE3 TRP A 67 1.935 -0.638 -0.072 1.00 0.00 C ATOM 1038 CZ2 TRP A 67 0.318 -1.217 2.147 1.00 0.00 C ATOM 1039 CZ3 TRP A 67 1.525 -1.915 0.190 1.00 0.00 C ATOM 1040 CH2 TRP A 67 0.722 -2.196 1.290 1.00 0.00 C ATOM 0 H TRP A 67 -0.196 3.575 -0.685 1.00 0.00 H new ATOM 0 HA TRP A 67 2.374 3.777 -1.981 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.330 1.950 -0.633 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.088 3.395 0.328 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.093 3.296 2.235 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -0.068 1.311 3.418 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.558 -0.427 -0.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -0.304 -1.442 3.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 1.829 -2.717 -0.466 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.411 -3.215 1.469 1.00 0.00 H new ATOM 1051 N CYS A 68 1.803 1.253 -2.674 1.00 0.00 N ATOM 1052 CA CYS A 68 1.283 0.220 -3.481 1.00 0.00 C ATOM 1053 C CYS A 68 2.298 -0.902 -3.558 1.00 0.00 C ATOM 1054 O CYS A 68 3.463 -0.707 -3.201 1.00 0.00 O ATOM 1055 CB CYS A 68 1.003 0.778 -4.863 1.00 0.00 C ATOM 1056 SG CYS A 68 -0.679 0.497 -5.424 1.00 0.00 S ATOM 0 H CYS A 68 2.815 1.224 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 68 0.357 -0.170 -3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.202 1.850 -4.860 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.695 0.327 -5.575 1.00 0.00 H new ATOM 1061 N PHE A 69 1.872 -2.072 -3.956 1.00 0.00 N ATOM 1062 CA PHE A 69 2.801 -3.149 -4.173 1.00 0.00 C ATOM 1063 C PHE A 69 3.351 -3.023 -5.557 1.00 0.00 C ATOM 1064 O PHE A 69 2.672 -2.513 -6.441 1.00 0.00 O ATOM 1065 CB PHE A 69 2.156 -4.511 -3.979 1.00 0.00 C ATOM 1066 CG PHE A 69 2.081 -4.965 -2.558 1.00 0.00 C ATOM 1067 CD1 PHE A 69 3.201 -5.491 -1.937 1.00 0.00 C ATOM 1068 CD2 PHE A 69 0.909 -4.877 -1.847 1.00 0.00 C ATOM 1069 CE1 PHE A 69 3.152 -5.918 -0.632 1.00 0.00 C ATOM 1070 CE2 PHE A 69 0.851 -5.304 -0.541 1.00 0.00 C ATOM 1071 CZ PHE A 69 1.976 -5.825 0.068 1.00 0.00 C ATOM 0 H PHE A 69 0.895 -2.302 -4.135 1.00 0.00 H new ATOM 0 HA PHE A 69 3.601 -3.077 -3.436 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.148 -4.483 -4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.716 -5.249 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.127 -5.567 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.026 -4.469 -2.317 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.034 -6.325 -0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.076 -5.232 0.009 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.930 -6.159 1.094 1.00 0.00 H new ATOM 1081 N THR A 70 4.549 -3.438 -5.764 1.00 0.00 N ATOM 1082 CA THR A 70 5.123 -3.294 -7.033 1.00 0.00 C ATOM 1083 C THR A 70 4.954 -4.564 -7.858 1.00 0.00 C ATOM 1084 O THR A 70 4.960 -5.699 -7.323 1.00 0.00 O ATOM 1085 CB THR A 70 6.602 -2.984 -6.910 1.00 0.00 C ATOM 1086 OG1 THR A 70 6.855 -2.320 -5.676 1.00 0.00 O ATOM 1087 CG2 THR A 70 7.011 -2.073 -8.018 1.00 0.00 C ATOM 0 H THR A 70 5.144 -3.880 -5.063 1.00 0.00 H new ATOM 0 HA THR A 70 4.612 -2.472 -7.534 1.00 0.00 H new ATOM 0 HB THR A 70 7.162 -3.918 -6.956 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.423 -2.885 -5.111 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.074 -1.849 -7.931 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.819 -2.556 -8.976 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.439 -1.147 -7.958 1.00 0.00 H new ATOM 1095 N THR A 71 4.783 -4.373 -9.144 1.00 0.00 N ATOM 1096 CA THR A 71 4.722 -5.432 -10.090 1.00 0.00 C ATOM 1097 C THR A 71 6.168 -5.854 -10.480 1.00 0.00 C ATOM 1098 O THR A 71 6.383 -6.855 -11.179 1.00 0.00 O ATOM 1099 CB THR A 71 3.940 -4.932 -11.320 1.00 0.00 C ATOM 1100 OG1 THR A 71 2.715 -4.348 -10.864 1.00 0.00 O ATOM 1101 CG2 THR A 71 3.604 -6.062 -12.253 1.00 0.00 C ATOM 0 H THR A 71 4.681 -3.447 -9.560 1.00 0.00 H new ATOM 0 HA THR A 71 4.216 -6.302 -9.672 1.00 0.00 H new ATOM 0 HB THR A 71 4.557 -4.211 -11.856 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.885 -3.436 -10.549 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.053 -5.675 -13.110 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.524 -6.535 -12.597 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.992 -6.796 -11.729 1.00 0.00 H new ATOM 1109 N ASP A 72 7.154 -5.103 -9.983 1.00 0.00 N ATOM 1110 CA ASP A 72 8.534 -5.388 -10.246 1.00 0.00 C ATOM 1111 C ASP A 72 8.934 -6.536 -9.345 1.00 0.00 C ATOM 1112 O ASP A 72 8.689 -6.470 -8.160 1.00 0.00 O ATOM 1113 CB ASP A 72 9.372 -4.150 -9.926 1.00 0.00 C ATOM 1114 CG ASP A 72 10.846 -4.356 -10.135 1.00 0.00 C ATOM 1115 OD1 ASP A 72 11.519 -4.791 -9.211 1.00 0.00 O ATOM 1116 OD2 ASP A 72 11.355 -4.043 -11.229 1.00 0.00 O ATOM 0 H ASP A 72 7.001 -4.287 -9.391 1.00 0.00 H new ATOM 0 HA ASP A 72 8.693 -5.652 -11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.036 -3.322 -10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.197 -3.860 -8.890 1.00 0.00 H new ATOM 1121 N PRO A 73 9.508 -7.613 -9.891 1.00 0.00 N ATOM 1122 CA PRO A 73 9.883 -8.798 -9.103 1.00 0.00 C ATOM 1123 C PRO A 73 10.830 -8.481 -7.944 1.00 0.00 C ATOM 1124 O PRO A 73 10.768 -9.114 -6.882 1.00 0.00 O ATOM 1125 CB PRO A 73 10.562 -9.734 -10.110 1.00 0.00 C ATOM 1126 CG PRO A 73 10.765 -8.934 -11.356 1.00 0.00 C ATOM 1127 CD PRO A 73 9.808 -7.781 -11.317 1.00 0.00 C ATOM 0 HA PRO A 73 9.004 -9.236 -8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.514 -10.098 -9.722 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.942 -10.609 -10.306 1.00 0.00 H new ATOM 0 HG2 PRO A 73 11.793 -8.576 -11.418 1.00 0.00 H new ATOM 0 HG3 PRO A 73 10.588 -9.549 -12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.252 -6.880 -11.740 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.906 -7.992 -11.892 1.00 0.00 H new ATOM 1135 N ASN A 74 11.666 -7.494 -8.137 1.00 0.00 N ATOM 1136 CA ASN A 74 12.631 -7.101 -7.155 1.00 0.00 C ATOM 1137 C ASN A 74 12.011 -6.234 -6.079 1.00 0.00 C ATOM 1138 O ASN A 74 12.347 -6.370 -4.896 1.00 0.00 O ATOM 1139 CB ASN A 74 13.793 -6.373 -7.834 1.00 0.00 C ATOM 1140 CG ASN A 74 14.828 -5.840 -6.872 1.00 0.00 C ATOM 1141 OD1 ASN A 74 14.769 -4.679 -6.439 1.00 0.00 O ATOM 1142 ND2 ASN A 74 15.766 -6.666 -6.533 1.00 0.00 N ATOM 0 H ASN A 74 11.693 -6.937 -8.991 1.00 0.00 H new ATOM 0 HA ASN A 74 13.008 -8.000 -6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.278 -7.055 -8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.396 -5.545 -8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 74 16.496 -6.371 -5.885 1.00 0.00 H new ATOM 0 HD22 ASN A 74 15.775 -7.612 -6.914 1.00 0.00 H new ATOM 1149 N LYS A 75 11.107 -5.364 -6.460 1.00 0.00 N ATOM 1150 CA LYS A 75 10.535 -4.456 -5.514 1.00 0.00 C ATOM 1151 C LYS A 75 9.247 -5.004 -4.990 1.00 0.00 C ATOM 1152 O LYS A 75 8.297 -5.131 -5.733 1.00 0.00 O ATOM 1153 CB LYS A 75 10.278 -3.094 -6.130 1.00 0.00 C ATOM 1154 CG LYS A 75 10.410 -2.005 -5.087 1.00 0.00 C ATOM 1155 CD LYS A 75 10.563 -0.627 -5.658 1.00 0.00 C ATOM 1156 CE LYS A 75 10.878 0.355 -4.527 1.00 0.00 C ATOM 1157 NZ LYS A 75 11.033 1.751 -4.980 1.00 0.00 N ATOM 0 H LYS A 75 10.758 -5.271 -7.414 1.00 0.00 H new ATOM 0 HA LYS A 75 11.251 -4.339 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.984 -2.916 -6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.279 -3.068 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.531 -2.025 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.272 -2.223 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.362 -0.614 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.648 -0.329 -6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.081 0.309 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.795 0.040 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.963 2.111 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.961 1.789 -6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.284 2.338 -4.559 1.00 0.00 H new ATOM 1171 N ARG A 76 9.199 -5.301 -3.719 1.00 0.00 N ATOM 1172 CA ARG A 76 7.997 -5.851 -3.143 1.00 0.00 C ATOM 1173 C ARG A 76 6.939 -4.775 -3.074 1.00 0.00 C ATOM 1174 O ARG A 76 5.838 -4.939 -3.604 1.00 0.00 O ATOM 1175 CB ARG A 76 8.252 -6.455 -1.768 1.00 0.00 C ATOM 1176 CG ARG A 76 7.065 -7.240 -1.245 1.00 0.00 C ATOM 1177 CD ARG A 76 7.341 -7.912 0.085 1.00 0.00 C ATOM 1178 NE ARG A 76 6.127 -8.557 0.577 1.00 0.00 N ATOM 1179 CZ ARG A 76 5.938 -9.082 1.789 1.00 0.00 C ATOM 1180 NH1 ARG A 76 6.952 -9.351 2.583 1.00 0.00 N ATOM 1181 NH2 ARG A 76 4.735 -9.432 2.153 1.00 0.00 N ATOM 0 H ARG A 76 9.971 -5.173 -3.065 1.00 0.00 H new ATOM 0 HA ARG A 76 7.647 -6.662 -3.782 1.00 0.00 H new ATOM 0 HB2 ARG A 76 9.122 -7.110 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.494 -5.658 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.212 -6.570 -1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.785 -7.997 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.135 -8.650 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.691 -7.176 0.809 1.00 0.00 H new ATOM 0 HE ARG A 76 5.343 -8.612 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.905 -9.158 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.785 -9.752 3.506 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.951 -9.303 1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.579 -9.834 3.077 1.00 0.00 H new ATOM 1195 N TRP A 77 7.281 -3.675 -2.461 1.00 0.00 N ATOM 1196 CA TRP A 77 6.367 -2.555 -2.393 1.00 0.00 C ATOM 1197 C TRP A 77 7.034 -1.248 -2.741 1.00 0.00 C ATOM 1198 O TRP A 77 8.267 -1.135 -2.735 1.00 0.00 O ATOM 1199 CB TRP A 77 5.591 -2.469 -1.064 1.00 0.00 C ATOM 1200 CG TRP A 77 6.437 -2.306 0.167 1.00 0.00 C ATOM 1201 CD1 TRP A 77 6.968 -3.294 0.930 1.00 0.00 C ATOM 1202 CD2 TRP A 77 6.821 -1.073 0.791 1.00 0.00 C ATOM 1203 NE1 TRP A 77 7.670 -2.751 1.978 1.00 0.00 N ATOM 1204 CE2 TRP A 77 7.593 -1.401 1.916 1.00 0.00 C ATOM 1205 CE3 TRP A 77 6.592 0.272 0.504 1.00 0.00 C ATOM 1206 CZ2 TRP A 77 8.132 -0.443 2.759 1.00 0.00 C ATOM 1207 CZ3 TRP A 77 7.129 1.224 1.340 1.00 0.00 C ATOM 1208 CH2 TRP A 77 7.891 0.863 2.458 1.00 0.00 C ATOM 0 H TRP A 77 8.179 -3.525 -2.002 1.00 0.00 H new ATOM 0 HA TRP A 77 5.618 -2.750 -3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 77 4.898 -1.630 -1.121 1.00 0.00 H new ATOM 0 HB3 TRP A 77 4.990 -3.372 -0.954 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.855 -4.351 0.741 1.00 0.00 H new ATOM 0 HE1 TRP A 77 8.171 -3.282 2.691 1.00 0.00 H new ATOM 0 HE3 TRP A 77 6.006 0.560 -0.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.720 -0.721 3.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.960 2.270 1.130 1.00 0.00 H new ATOM 0 HH2 TRP A 77 8.296 1.636 3.094 1.00 0.00 H new ATOM 1219 N GLU A 78 6.215 -0.280 -3.028 1.00 0.00 N ATOM 1220 CA GLU A 78 6.641 1.014 -3.466 1.00 0.00 C ATOM 1221 C GLU A 78 5.791 2.056 -2.778 1.00 0.00 C ATOM 1222 O GLU A 78 4.639 1.789 -2.438 1.00 0.00 O ATOM 1223 CB GLU A 78 6.383 1.117 -4.968 1.00 0.00 C ATOM 1224 CG GLU A 78 7.576 1.481 -5.817 1.00 0.00 C ATOM 1225 CD GLU A 78 8.072 2.878 -5.607 1.00 0.00 C ATOM 1226 OE1 GLU A 78 8.772 3.106 -4.616 1.00 0.00 O ATOM 1227 OE2 GLU A 78 7.833 3.746 -6.487 1.00 0.00 O ATOM 0 H GLU A 78 5.201 -0.373 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 78 7.696 1.165 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.991 0.161 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.603 1.860 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.386 0.783 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.313 1.354 -6.867 1.00 0.00 H new ATOM 1234 N TYR A 79 6.341 3.215 -2.567 1.00 0.00 N ATOM 1235 CA TYR A 79 5.568 4.318 -2.067 1.00 0.00 C ATOM 1236 C TYR A 79 4.926 4.996 -3.235 1.00 0.00 C ATOM 1237 O TYR A 79 5.373 4.844 -4.370 1.00 0.00 O ATOM 1238 CB TYR A 79 6.418 5.343 -1.298 1.00 0.00 C ATOM 1239 CG TYR A 79 6.524 5.119 0.197 1.00 0.00 C ATOM 1240 CD1 TYR A 79 5.443 5.402 1.027 1.00 0.00 C ATOM 1241 CD2 TYR A 79 7.695 4.659 0.783 1.00 0.00 C ATOM 1242 CE1 TYR A 79 5.523 5.229 2.394 1.00 0.00 C ATOM 1243 CE2 TYR A 79 7.784 4.487 2.158 1.00 0.00 C ATOM 1244 CZ TYR A 79 6.693 4.773 2.955 1.00 0.00 C ATOM 1245 OH TYR A 79 6.779 4.614 4.325 1.00 0.00 O ATOM 0 H TYR A 79 7.325 3.424 -2.733 1.00 0.00 H new ATOM 0 HA TYR A 79 4.831 3.926 -1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.423 5.343 -1.719 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.001 6.335 -1.470 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.523 5.764 0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.548 4.432 0.161 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.671 5.451 3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.702 4.131 2.602 1.00 0.00 H new ATOM 0 HH TYR A 79 5.885 4.691 4.720 1.00 0.00 H new ATOM 1255 N CYS A 80 3.893 5.697 -2.987 1.00 0.00 N ATOM 1256 CA CYS A 80 3.241 6.441 -4.004 1.00 0.00 C ATOM 1257 C CYS A 80 3.373 7.908 -3.683 1.00 0.00 C ATOM 1258 O CYS A 80 3.023 8.343 -2.584 1.00 0.00 O ATOM 1259 CB CYS A 80 1.798 5.966 -4.123 1.00 0.00 C ATOM 1260 SG CYS A 80 1.673 4.308 -4.881 1.00 0.00 S ATOM 0 H CYS A 80 3.465 5.777 -2.065 1.00 0.00 H new ATOM 0 HA CYS A 80 3.699 6.284 -4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.342 5.946 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.231 6.680 -4.721 1.00 0.00 H new ATOM 1265 N ASP A 81 3.880 8.677 -4.625 1.00 0.00 N ATOM 1266 CA ASP A 81 4.196 10.064 -4.349 1.00 0.00 C ATOM 1267 C ASP A 81 3.012 10.929 -4.620 1.00 0.00 C ATOM 1268 O ASP A 81 2.794 11.402 -5.737 1.00 0.00 O ATOM 1269 CB ASP A 81 5.417 10.560 -5.123 1.00 0.00 C ATOM 1270 CG ASP A 81 5.935 11.879 -4.587 1.00 0.00 C ATOM 1271 OD1 ASP A 81 6.647 11.868 -3.568 1.00 0.00 O ATOM 1272 OD2 ASP A 81 5.640 12.952 -5.157 1.00 0.00 O ATOM 0 H ASP A 81 4.080 8.371 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 81 4.453 10.127 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.208 9.812 -5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.157 10.674 -6.175 1.00 0.00 H new ATOM 1277 N ILE A 82 2.218 11.058 -3.624 1.00 0.00 N ATOM 1278 CA ILE A 82 1.036 11.828 -3.678 1.00 0.00 C ATOM 1279 C ILE A 82 1.275 13.114 -2.900 1.00 0.00 C ATOM 1280 O ILE A 82 1.968 13.086 -1.874 1.00 0.00 O ATOM 1281 CB ILE A 82 -0.130 11.015 -3.041 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -0.250 9.656 -3.747 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.448 11.776 -3.101 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.376 8.787 -3.247 1.00 0.00 C ATOM 0 H ILE A 82 2.379 10.615 -2.719 1.00 0.00 H new ATOM 0 HA ILE A 82 0.772 12.067 -4.708 1.00 0.00 H new ATOM 0 HB ILE A 82 0.096 10.856 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.387 9.827 -4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.689 9.115 -3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.236 11.175 -2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.350 12.716 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.702 11.982 -4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.385 7.849 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.233 8.580 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.325 9.303 -3.391 1.00 0.00 H new ATOM 1494 N ALA B 108 -4.789 -4.698 13.815 1.00 0.00 N ATOM 1495 CA ALA B 108 -3.572 -5.392 14.223 1.00 0.00 C ATOM 1496 C ALA B 108 -2.908 -6.089 13.047 1.00 0.00 C ATOM 1497 O ALA B 108 -1.677 -6.078 12.935 1.00 0.00 O ATOM 1498 CB ALA B 108 -3.829 -6.372 15.328 1.00 0.00 C ATOM 0 HA ALA B 108 -2.891 -4.630 14.602 1.00 0.00 H new ATOM 0 HB1 ALA B 108 -2.896 -6.866 15.601 1.00 0.00 H new ATOM 0 HB2 ALA B 108 -4.228 -5.846 16.195 1.00 0.00 H new ATOM 0 HB3 ALA B 108 -4.550 -7.118 14.993 1.00 0.00 H new ATOM 1504 N GLU B 109 -3.716 -6.681 12.176 1.00 0.00 N ATOM 1505 CA GLU B 109 -3.207 -7.352 10.984 1.00 0.00 C ATOM 1506 C GLU B 109 -2.588 -6.297 10.062 1.00 0.00 C ATOM 1507 O GLU B 109 -1.510 -6.498 9.501 1.00 0.00 O ATOM 1508 CB GLU B 109 -4.341 -8.086 10.256 1.00 0.00 C ATOM 1509 CG GLU B 109 -3.884 -8.937 9.073 1.00 0.00 C ATOM 1510 CD GLU B 109 -3.254 -10.259 9.466 1.00 0.00 C ATOM 1511 OE1 GLU B 109 -2.259 -10.284 10.225 1.00 0.00 O ATOM 1512 OE2 GLU B 109 -3.741 -11.308 8.977 1.00 0.00 O ATOM 0 H GLU B 109 -4.731 -6.710 12.273 1.00 0.00 H new ATOM 0 HA GLU B 109 -2.456 -8.088 11.269 1.00 0.00 H new ATOM 0 HB2 GLU B 109 -4.860 -8.726 10.969 1.00 0.00 H new ATOM 0 HB3 GLU B 109 -5.064 -7.352 9.902 1.00 0.00 H new ATOM 0 HG2 GLU B 109 -4.741 -9.133 8.428 1.00 0.00 H new ATOM 0 HG3 GLU B 109 -3.166 -8.366 8.485 1.00 0.00 H new ATOM 1519 N LEU B 110 -3.286 -5.161 9.952 1.00 0.00 N ATOM 1520 CA LEU B 110 -2.835 -3.995 9.206 1.00 0.00 C ATOM 1521 C LEU B 110 -1.442 -3.588 9.661 1.00 0.00 C ATOM 1522 O LEU B 110 -0.519 -3.503 8.857 1.00 0.00 O ATOM 1523 CB LEU B 110 -3.851 -2.828 9.379 1.00 0.00 C ATOM 1524 CG LEU B 110 -5.138 -2.886 8.530 1.00 0.00 C ATOM 1525 CD1 LEU B 110 -6.069 -1.720 8.864 1.00 0.00 C ATOM 1526 CD2 LEU B 110 -4.803 -2.874 7.044 1.00 0.00 C ATOM 0 H LEU B 110 -4.198 -5.030 10.390 1.00 0.00 H new ATOM 0 HA LEU B 110 -2.782 -4.243 8.146 1.00 0.00 H new ATOM 0 HB2 LEU B 110 -4.140 -2.784 10.429 1.00 0.00 H new ATOM 0 HB3 LEU B 110 -3.337 -1.895 9.150 1.00 0.00 H new ATOM 0 HG LEU B 110 -5.651 -3.818 8.768 1.00 0.00 H new ATOM 0 HD11 LEU B 110 -6.968 -1.785 8.251 1.00 0.00 H new ATOM 0 HD12 LEU B 110 -6.344 -1.764 9.918 1.00 0.00 H new ATOM 0 HD13 LEU B 110 -5.559 -0.778 8.661 1.00 0.00 H new ATOM 0 HD21 LEU B 110 -5.724 -2.915 6.463 1.00 0.00 H new ATOM 0 HD22 LEU B 110 -4.261 -1.960 6.801 1.00 0.00 H new ATOM 0 HD23 LEU B 110 -4.183 -3.738 6.804 1.00 0.00 H new ATOM 1538 N GLN B 111 -1.297 -3.398 10.955 1.00 0.00 N ATOM 1539 CA GLN B 111 -0.020 -3.053 11.558 1.00 0.00 C ATOM 1540 C GLN B 111 1.044 -4.108 11.321 1.00 0.00 C ATOM 1541 O GLN B 111 2.163 -3.780 10.983 1.00 0.00 O ATOM 1542 CB GLN B 111 -0.177 -2.801 13.046 1.00 0.00 C ATOM 1543 CG GLN B 111 -0.184 -1.334 13.434 1.00 0.00 C ATOM 1544 CD GLN B 111 -1.201 -0.499 12.682 1.00 0.00 C ATOM 1545 OE1 GLN B 111 -0.900 0.062 11.637 1.00 0.00 O ATOM 1546 NE2 GLN B 111 -2.397 -0.422 13.185 1.00 0.00 N ATOM 0 H GLN B 111 -2.063 -3.478 11.624 1.00 0.00 H new ATOM 0 HA GLN B 111 0.315 -2.138 11.069 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -1.107 -3.258 13.384 1.00 0.00 H new ATOM 0 HB3 GLN B 111 0.635 -3.301 13.575 1.00 0.00 H new ATOM 0 HG2 GLN B 111 -0.382 -1.253 14.503 1.00 0.00 H new ATOM 0 HG3 GLN B 111 0.809 -0.919 13.262 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -2.615 -0.902 14.058 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -3.118 0.118 12.706 1.00 0.00 H new ATOM 1555 N ARG B 112 0.675 -5.358 11.462 1.00 0.00 N ATOM 1556 CA ARG B 112 1.600 -6.483 11.329 1.00 0.00 C ATOM 1557 C ARG B 112 2.129 -6.553 9.904 1.00 0.00 C ATOM 1558 O ARG B 112 3.326 -6.633 9.696 1.00 0.00 O ATOM 1559 CB ARG B 112 0.863 -7.767 11.689 1.00 0.00 C ATOM 1560 CG ARG B 112 1.621 -8.776 12.541 1.00 0.00 C ATOM 1561 CD ARG B 112 2.848 -9.339 11.866 1.00 0.00 C ATOM 1562 NE ARG B 112 4.033 -8.489 12.021 1.00 0.00 N ATOM 1563 CZ ARG B 112 5.182 -8.649 11.336 1.00 0.00 C ATOM 1564 NH1 ARG B 112 5.250 -9.516 10.322 1.00 0.00 N ATOM 1565 NH2 ARG B 112 6.244 -7.910 11.645 1.00 0.00 N ATOM 0 H ARG B 112 -0.283 -5.637 11.674 1.00 0.00 H new ATOM 0 HA ARG B 112 2.448 -6.351 12.001 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -0.053 -7.497 12.215 1.00 0.00 H new ATOM 0 HB3 ARG B 112 0.565 -8.259 10.763 1.00 0.00 H new ATOM 0 HG2 ARG B 112 1.917 -8.299 13.475 1.00 0.00 H new ATOM 0 HG3 ARG B 112 0.951 -9.596 12.800 1.00 0.00 H new ATOM 0 HD2 ARG B 112 3.060 -10.326 12.277 1.00 0.00 H new ATOM 0 HD3 ARG B 112 2.641 -9.473 10.804 1.00 0.00 H new ATOM 0 HE ARG B 112 3.984 -7.724 12.694 1.00 0.00 H new ATOM 0 HH11 ARG B 112 4.429 -10.062 10.062 1.00 0.00 H new ATOM 0 HH12 ARG B 112 6.123 -9.632 9.808 1.00 0.00 H new ATOM 0 HH21 ARG B 112 6.187 -7.225 12.398 1.00 0.00 H new ATOM 0 HH22 ARG B 112 7.116 -8.029 11.128 1.00 0.00 H new ATOM 1579 N LEU B 113 1.242 -6.474 8.944 1.00 0.00 N ATOM 1580 CA LEU B 113 1.627 -6.518 7.537 1.00 0.00 C ATOM 1581 C LEU B 113 2.455 -5.295 7.161 1.00 0.00 C ATOM 1582 O LEU B 113 3.407 -5.390 6.367 1.00 0.00 O ATOM 1583 CB LEU B 113 0.396 -6.632 6.646 1.00 0.00 C ATOM 1584 CG LEU B 113 -0.414 -7.923 6.768 1.00 0.00 C ATOM 1585 CD1 LEU B 113 -1.670 -7.830 5.928 1.00 0.00 C ATOM 1586 CD2 LEU B 113 0.420 -9.120 6.334 1.00 0.00 C ATOM 0 H LEU B 113 0.239 -6.378 9.103 1.00 0.00 H new ATOM 0 HA LEU B 113 2.244 -7.403 7.382 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -0.264 -5.793 6.866 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.714 -6.525 5.609 1.00 0.00 H new ATOM 0 HG LEU B 113 -0.696 -8.059 7.812 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.240 -8.754 6.022 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -2.277 -6.993 6.273 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.399 -7.675 4.884 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.173 -10.030 6.428 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.727 -8.992 5.296 1.00 0.00 H new ATOM 0 HD23 LEU B 113 1.304 -9.196 6.967 1.00 0.00 H new ATOM 1598 N LYS B 114 2.118 -4.163 7.759 1.00 0.00 N ATOM 1599 CA LYS B 114 2.832 -2.934 7.539 1.00 0.00 C ATOM 1600 C LYS B 114 4.241 -3.102 8.080 1.00 0.00 C ATOM 1601 O LYS B 114 5.228 -2.856 7.387 1.00 0.00 O ATOM 1602 CB LYS B 114 2.106 -1.820 8.273 1.00 0.00 C ATOM 1603 CG LYS B 114 2.413 -0.423 7.790 1.00 0.00 C ATOM 1604 CD LYS B 114 1.462 0.558 8.414 1.00 0.00 C ATOM 1605 CE LYS B 114 1.822 0.886 9.838 1.00 0.00 C ATOM 1606 NZ LYS B 114 0.841 1.793 10.456 1.00 0.00 N ATOM 0 H LYS B 114 1.338 -4.080 8.411 1.00 0.00 H new ATOM 0 HA LYS B 114 2.882 -2.686 6.479 1.00 0.00 H new ATOM 0 HB2 LYS B 114 1.033 -1.989 8.186 1.00 0.00 H new ATOM 0 HB3 LYS B 114 2.354 -1.883 9.333 1.00 0.00 H new ATOM 0 HG2 LYS B 114 3.439 -0.159 8.045 1.00 0.00 H new ATOM 0 HG3 LYS B 114 2.333 -0.379 6.704 1.00 0.00 H new ATOM 0 HD2 LYS B 114 1.453 1.475 7.825 1.00 0.00 H new ATOM 0 HD3 LYS B 114 0.452 0.149 8.383 1.00 0.00 H new ATOM 0 HE2 LYS B 114 1.882 -0.034 10.419 1.00 0.00 H new ATOM 0 HE3 LYS B 114 2.810 1.346 9.866 1.00 0.00 H new ATOM 0 HZ1 LYS B 114 1.214 2.143 11.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 114 0.664 2.597 9.821 1.00 0.00 H new ATOM 0 HZ3 LYS B 114 -0.049 1.281 10.622 1.00 0.00 H new ATOM 1620 N ASN B 115 4.309 -3.585 9.303 1.00 0.00 N ATOM 1621 CA ASN B 115 5.556 -3.878 10.011 1.00 0.00 C ATOM 1622 C ASN B 115 6.394 -4.881 9.235 1.00 0.00 C ATOM 1623 O ASN B 115 7.602 -4.726 9.130 1.00 0.00 O ATOM 1624 CB ASN B 115 5.221 -4.387 11.433 1.00 0.00 C ATOM 1625 CG ASN B 115 4.938 -3.266 12.420 1.00 0.00 C ATOM 1626 OD1 ASN B 115 5.469 -2.150 12.296 1.00 0.00 O ATOM 1627 ND2 ASN B 115 4.097 -3.532 13.396 1.00 0.00 N ATOM 0 H ASN B 115 3.478 -3.794 9.856 1.00 0.00 H new ATOM 0 HA ASN B 115 6.152 -2.969 10.098 1.00 0.00 H new ATOM 0 HB2 ASN B 115 4.353 -5.044 11.381 1.00 0.00 H new ATOM 0 HB3 ASN B 115 6.053 -4.986 11.803 1.00 0.00 H new ATOM 0 HD21 ASN B 115 3.864 -2.811 14.079 1.00 0.00 H new ATOM 0 HD22 ASN B 115 3.678 -4.459 13.470 1.00 0.00 H new ATOM 1634 N GLU B 116 5.731 -5.868 8.663 1.00 0.00 N ATOM 1635 CA GLU B 116 6.348 -6.878 7.807 1.00 0.00 C ATOM 1636 C GLU B 116 7.059 -6.211 6.652 1.00 0.00 C ATOM 1637 O GLU B 116 8.262 -6.402 6.454 1.00 0.00 O ATOM 1638 CB GLU B 116 5.265 -7.825 7.281 1.00 0.00 C ATOM 1639 CG GLU B 116 5.745 -8.824 6.257 1.00 0.00 C ATOM 1640 CD GLU B 116 4.674 -9.806 5.851 1.00 0.00 C ATOM 1641 OE1 GLU B 116 4.313 -10.670 6.663 1.00 0.00 O ATOM 1642 OE2 GLU B 116 4.196 -9.750 4.705 1.00 0.00 O ATOM 0 H GLU B 116 4.726 -5.998 8.780 1.00 0.00 H new ATOM 0 HA GLU B 116 7.077 -7.447 8.384 1.00 0.00 H new ATOM 0 HB2 GLU B 116 4.835 -8.367 8.123 1.00 0.00 H new ATOM 0 HB3 GLU B 116 4.464 -7.231 6.841 1.00 0.00 H new ATOM 0 HG2 GLU B 116 6.097 -8.291 5.374 1.00 0.00 H new ATOM 0 HG3 GLU B 116 6.598 -9.370 6.661 1.00 0.00 H new ATOM 1649 N ARG B 117 6.306 -5.435 5.905 1.00 0.00 N ATOM 1650 CA ARG B 117 6.830 -4.660 4.783 1.00 0.00 C ATOM 1651 C ARG B 117 7.962 -3.737 5.215 1.00 0.00 C ATOM 1652 O ARG B 117 8.900 -3.496 4.465 1.00 0.00 O ATOM 1653 CB ARG B 117 5.771 -3.788 4.160 1.00 0.00 C ATOM 1654 CG ARG B 117 4.630 -4.485 3.474 1.00 0.00 C ATOM 1655 CD ARG B 117 3.785 -3.450 2.754 1.00 0.00 C ATOM 1656 NE ARG B 117 3.167 -2.502 3.683 1.00 0.00 N ATOM 1657 CZ ARG B 117 3.408 -1.182 3.787 1.00 0.00 C ATOM 1658 NH1 ARG B 117 4.408 -0.608 3.136 1.00 0.00 N ATOM 1659 NH2 ARG B 117 2.635 -0.441 4.529 1.00 0.00 N ATOM 0 H ARG B 117 5.304 -5.317 6.053 1.00 0.00 H new ATOM 0 HA ARG B 117 7.189 -5.397 4.064 1.00 0.00 H new ATOM 0 HB2 ARG B 117 5.358 -3.148 4.939 1.00 0.00 H new ATOM 0 HB3 ARG B 117 6.254 -3.134 3.434 1.00 0.00 H new ATOM 0 HG2 ARG B 117 5.009 -5.222 2.766 1.00 0.00 H new ATOM 0 HG3 ARG B 117 4.025 -5.025 4.202 1.00 0.00 H new ATOM 0 HD2 ARG B 117 4.406 -2.907 2.042 1.00 0.00 H new ATOM 0 HD3 ARG B 117 3.007 -3.953 2.179 1.00 0.00 H new ATOM 0 HE ARG B 117 2.474 -2.886 4.325 1.00 0.00 H new ATOM 0 HH11 ARG B 117 5.016 -1.168 2.539 1.00 0.00 H new ATOM 0 HH12 ARG B 117 4.570 0.395 3.231 1.00 0.00 H new ATOM 0 HH21 ARG B 117 1.851 -0.862 5.028 1.00 0.00 H new ATOM 0 HH22 ARG B 117 2.814 0.560 4.611 1.00 0.00 H new ATOM 1673 N HIS B 118 7.834 -3.196 6.387 1.00 0.00 N ATOM 1674 CA HIS B 118 8.817 -2.304 6.943 1.00 0.00 C ATOM 1675 C HIS B 118 10.100 -3.014 7.275 1.00 0.00 C ATOM 1676 O HIS B 118 11.185 -2.485 7.045 1.00 0.00 O ATOM 1677 CB HIS B 118 8.215 -1.490 8.086 1.00 0.00 C ATOM 1678 CG HIS B 118 7.294 -0.445 7.537 1.00 0.00 C ATOM 1679 ND1 HIS B 118 7.532 0.153 6.324 1.00 0.00 N ATOM 1680 CD2 HIS B 118 6.058 -0.053 7.898 1.00 0.00 C ATOM 1681 CE1 HIS B 118 6.489 0.832 5.958 1.00 0.00 C ATOM 1682 NE2 HIS B 118 5.587 0.734 6.885 1.00 0.00 N ATOM 0 H HIS B 118 7.034 -3.361 6.997 1.00 0.00 H new ATOM 0 HA HIS B 118 9.108 -1.577 6.185 1.00 0.00 H new ATOM 0 HB2 HIS B 118 7.671 -2.147 8.765 1.00 0.00 H new ATOM 0 HB3 HIS B 118 9.009 -1.019 8.666 1.00 0.00 H new ATOM 0 HD2 HIS B 118 5.540 -0.310 8.810 1.00 0.00 H new ATOM 0 HE1 HIS B 118 6.389 1.386 5.036 1.00 0.00 H new ATOM 0 HE2 HIS B 118 4.668 1.176 6.861 1.00 0.00 H new ATOM 1691 N GLU B 119 9.980 -4.227 7.766 1.00 0.00 N ATOM 1692 CA GLU B 119 11.131 -5.082 7.929 1.00 0.00 C ATOM 1693 C GLU B 119 11.732 -5.383 6.570 1.00 0.00 C ATOM 1694 O GLU B 119 12.920 -5.246 6.388 1.00 0.00 O ATOM 1695 CB GLU B 119 10.766 -6.363 8.673 1.00 0.00 C ATOM 1696 CG GLU B 119 10.498 -6.133 10.115 1.00 0.00 C ATOM 1697 CD GLU B 119 10.021 -7.358 10.831 1.00 0.00 C ATOM 1698 OE1 GLU B 119 8.803 -7.635 10.815 1.00 0.00 O ATOM 1699 OE2 GLU B 119 10.841 -8.052 11.451 1.00 0.00 O ATOM 0 H GLU B 119 9.096 -4.643 8.059 1.00 0.00 H new ATOM 0 HA GLU B 119 11.875 -4.564 8.535 1.00 0.00 H new ATOM 0 HB2 GLU B 119 9.885 -6.808 8.211 1.00 0.00 H new ATOM 0 HB3 GLU B 119 11.578 -7.082 8.569 1.00 0.00 H new ATOM 0 HG2 GLU B 119 11.408 -5.772 10.594 1.00 0.00 H new ATOM 0 HG3 GLU B 119 9.751 -5.346 10.218 1.00 0.00 H new ATOM 1706 N GLU B 120 10.874 -5.714 5.607 1.00 0.00 N ATOM 1707 CA GLU B 120 11.285 -6.004 4.213 1.00 0.00 C ATOM 1708 C GLU B 120 12.139 -4.900 3.639 1.00 0.00 C ATOM 1709 O GLU B 120 13.117 -5.163 2.989 1.00 0.00 O ATOM 1710 CB GLU B 120 10.069 -6.166 3.314 1.00 0.00 C ATOM 1711 CG GLU B 120 9.211 -7.347 3.631 1.00 0.00 C ATOM 1712 CD GLU B 120 9.879 -8.641 3.300 1.00 0.00 C ATOM 1713 OE1 GLU B 120 10.630 -9.169 4.126 1.00 0.00 O ATOM 1714 OE2 GLU B 120 9.609 -9.175 2.207 1.00 0.00 O ATOM 0 H GLU B 120 9.869 -5.792 5.760 1.00 0.00 H new ATOM 0 HA GLU B 120 11.861 -6.929 4.248 1.00 0.00 H new ATOM 0 HB2 GLU B 120 9.461 -5.264 3.382 1.00 0.00 H new ATOM 0 HB3 GLU B 120 10.406 -6.246 2.281 1.00 0.00 H new ATOM 0 HG2 GLU B 120 8.956 -7.333 4.691 1.00 0.00 H new ATOM 0 HG3 GLU B 120 8.275 -7.272 3.077 1.00 0.00 H new ATOM 1721 N ALA B 121 11.756 -3.672 3.893 1.00 0.00 N ATOM 1722 CA ALA B 121 12.479 -2.525 3.377 1.00 0.00 C ATOM 1723 C ALA B 121 13.880 -2.447 3.959 1.00 0.00 C ATOM 1724 O ALA B 121 14.853 -2.253 3.235 1.00 0.00 O ATOM 1725 CB ALA B 121 11.715 -1.254 3.647 1.00 0.00 C ATOM 0 H ALA B 121 10.941 -3.436 4.459 1.00 0.00 H new ATOM 0 HA ALA B 121 12.576 -2.647 2.298 1.00 0.00 H new ATOM 0 HB1 ALA B 121 12.272 -0.404 3.253 1.00 0.00 H new ATOM 0 HB2 ALA B 121 10.740 -1.305 3.162 1.00 0.00 H new ATOM 0 HB3 ALA B 121 11.579 -1.132 4.722 1.00 0.00 H new