USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 611 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 Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0641 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 171:sc= 0.0529 USER MOD Single : A 32 GLN : amide:sc= -0.06 K(o=-0.06,f=-1.3) USER MOD Single : A 34 GLN : amide:sc=-0.00408 X(o=-0.0041,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -108:sc= 0.308 USER MOD Single : A 61 CYS SG : rot 81:sc= 1.39 USER MOD Single : A 65 GLN : amide:sc= -0.376 K(o=-0.38,f=-3!) USER MOD Single : A 71 MET CE :methyl -141:sc= -0.223 (180deg=-1.37!) USER MOD Single : A 74 ASN : amide:sc= -4.18! C(o=-4.2!,f=-8.2!) USER MOD Single : A 78 THR OG1 : rot 138:sc= -2.26! USER MOD Single : A 81 SER OG : rot -172:sc= 0.471 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00932 USER MOD Single : A 87 ASN : amide:sc= 0.0785 X(o=0.079,f=0.32) USER MOD Single : A 88 GLN : amide:sc= -0.386 K(o=-0.39,f=-3!) USER MOD Single : A 93 SER OG : rot 73:sc= -4.13! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -23:sc= 0.531! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.730 -11.588 -2.326 1.00 0.00 N ATOM 133 CA HIS A 13 13.611 -10.717 -1.169 1.00 0.00 C ATOM 134 C HIS A 13 12.613 -9.597 -1.470 1.00 0.00 C ATOM 135 O HIS A 13 12.235 -9.390 -2.622 1.00 0.00 O ATOM 136 CB HIS A 13 14.983 -10.189 -0.744 1.00 0.00 C ATOM 137 CG HIS A 13 15.667 -9.343 -1.790 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.461 -9.881 -2.788 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.668 -7.993 -1.984 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.914 -8.890 -3.542 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.422 -7.721 -3.042 1.00 0.00 N ATOM 0 HA HIS A 13 13.224 -11.283 -0.321 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.868 -9.600 0.166 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.626 -11.034 -0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.144 -7.268 -1.379 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.560 -8.991 -4.402 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.603 -6.791 -3.419 1.00 0.00 H new ATOM 149 N THR A 14 12.213 -8.905 -0.414 1.00 0.00 N ATOM 150 CA THR A 14 11.266 -7.811 -0.550 1.00 0.00 C ATOM 151 C THR A 14 11.797 -6.555 0.143 1.00 0.00 C ATOM 152 O THR A 14 12.612 -6.646 1.060 1.00 0.00 O ATOM 153 CB THR A 14 9.917 -8.283 -0.002 1.00 0.00 C ATOM 154 OG1 THR A 14 10.262 -9.091 1.120 1.00 0.00 O ATOM 155 CG2 THR A 14 9.205 -9.248 -0.951 1.00 0.00 C ATOM 0 H THR A 14 12.527 -9.080 0.540 1.00 0.00 H new ATOM 0 HA THR A 14 11.130 -7.534 -1.595 1.00 0.00 H new ATOM 0 HB THR A 14 9.278 -7.419 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.446 -9.437 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.254 -9.552 -0.514 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.025 -8.753 -1.905 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.828 -10.128 -1.111 1.00 0.00 H new ATOM 163 N GLU A 15 11.315 -5.412 -0.322 1.00 0.00 N ATOM 164 CA GLU A 15 11.731 -4.140 0.242 1.00 0.00 C ATOM 165 C GLU A 15 10.511 -3.270 0.548 1.00 0.00 C ATOM 166 O GLU A 15 9.494 -3.357 -0.139 1.00 0.00 O ATOM 167 CB GLU A 15 12.700 -3.415 -0.696 1.00 0.00 C ATOM 168 CG GLU A 15 14.050 -4.133 -0.751 1.00 0.00 C ATOM 169 CD GLU A 15 15.206 -3.134 -0.671 1.00 0.00 C ATOM 170 OE1 GLU A 15 15.223 -2.217 -1.519 1.00 0.00 O ATOM 171 OE2 GLU A 15 16.046 -3.310 0.238 1.00 0.00 O ATOM 0 H GLU A 15 10.640 -5.341 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 15 12.258 -4.334 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.271 -3.361 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.843 -2.390 -0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.122 -4.844 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.124 -4.707 -1.675 1.00 0.00 H new ATOM 178 N THR A 16 10.651 -2.450 1.579 1.00 0.00 N ATOM 179 CA THR A 16 9.573 -1.565 1.985 1.00 0.00 C ATOM 180 C THR A 16 9.887 -0.123 1.583 1.00 0.00 C ATOM 181 O THR A 16 11.051 0.248 1.447 1.00 0.00 O ATOM 182 CB THR A 16 9.355 -1.743 3.489 1.00 0.00 C ATOM 183 OG1 THR A 16 10.655 -2.032 3.996 1.00 0.00 O ATOM 184 CG2 THR A 16 8.540 -2.995 3.818 1.00 0.00 C ATOM 0 H THR A 16 11.496 -2.380 2.146 1.00 0.00 H new ATOM 0 HA THR A 16 8.643 -1.816 1.476 1.00 0.00 H new ATOM 0 HB THR A 16 8.848 -0.865 3.889 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.607 -2.160 4.966 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.414 -3.074 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.561 -2.927 3.343 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.063 -3.877 3.448 1.00 0.00 H new ATOM 192 N THR A 17 8.827 0.652 1.403 1.00 0.00 N ATOM 193 CA THR A 17 8.975 2.046 1.020 1.00 0.00 C ATOM 194 C THR A 17 7.961 2.915 1.767 1.00 0.00 C ATOM 195 O THR A 17 6.846 2.476 2.043 1.00 0.00 O ATOM 196 CB THR A 17 8.845 2.133 -0.502 1.00 0.00 C ATOM 197 OG1 THR A 17 9.089 3.507 -0.793 1.00 0.00 O ATOM 198 CG2 THR A 17 7.411 1.900 -0.982 1.00 0.00 C ATOM 0 H THR A 17 7.862 0.341 1.515 1.00 0.00 H new ATOM 0 HA THR A 17 9.955 2.432 1.300 1.00 0.00 H new ATOM 0 HB THR A 17 9.506 1.400 -0.965 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.026 3.653 -1.760 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.375 1.973 -2.069 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.081 0.908 -0.673 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.754 2.653 -0.546 1.00 0.00 H new ATOM 206 N GLU A 18 8.386 4.132 2.073 1.00 0.00 N ATOM 207 CA GLU A 18 7.529 5.067 2.782 1.00 0.00 C ATOM 208 C GLU A 18 6.929 6.082 1.808 1.00 0.00 C ATOM 209 O GLU A 18 7.659 6.825 1.152 1.00 0.00 O ATOM 210 CB GLU A 18 8.296 5.770 3.904 1.00 0.00 C ATOM 211 CG GLU A 18 7.505 6.962 4.446 1.00 0.00 C ATOM 212 CD GLU A 18 8.234 8.278 4.166 1.00 0.00 C ATOM 213 OE1 GLU A 18 8.882 8.351 3.099 1.00 0.00 O ATOM 214 OE2 GLU A 18 8.126 9.180 5.024 1.00 0.00 O ATOM 0 H GLU A 18 9.312 4.492 1.843 1.00 0.00 H new ATOM 0 HA GLU A 18 6.713 4.507 3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.495 5.064 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.262 6.110 3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.516 6.985 3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.356 6.846 5.520 1.00 0.00 H new ATOM 221 N VAL A 19 5.606 6.083 1.743 1.00 0.00 N ATOM 222 CA VAL A 19 4.900 6.995 0.860 1.00 0.00 C ATOM 223 C VAL A 19 4.393 8.191 1.668 1.00 0.00 C ATOM 224 O VAL A 19 3.571 8.032 2.570 1.00 0.00 O ATOM 225 CB VAL A 19 3.781 6.252 0.126 1.00 0.00 C ATOM 226 CG1 VAL A 19 3.178 7.122 -0.978 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.285 4.921 -0.437 1.00 0.00 C ATOM 0 H VAL A 19 5.004 5.466 2.288 1.00 0.00 H new ATOM 0 HA VAL A 19 5.572 7.382 0.094 1.00 0.00 H new ATOM 0 HB VAL A 19 2.994 6.034 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.385 6.570 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.765 8.031 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.953 7.385 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.471 4.413 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.099 5.107 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.645 4.294 0.379 1.00 0.00 H new ATOM 237 N VAL A 20 4.904 9.361 1.316 1.00 0.00 N ATOM 238 CA VAL A 20 4.514 10.584 1.998 1.00 0.00 C ATOM 239 C VAL A 20 3.499 11.340 1.138 1.00 0.00 C ATOM 240 O VAL A 20 3.811 11.755 0.023 1.00 0.00 O ATOM 241 CB VAL A 20 5.754 11.417 2.330 1.00 0.00 C ATOM 242 CG1 VAL A 20 5.366 12.840 2.735 1.00 0.00 C ATOM 243 CG2 VAL A 20 6.590 10.745 3.420 1.00 0.00 C ATOM 0 H VAL A 20 5.585 9.489 0.567 1.00 0.00 H new ATOM 0 HA VAL A 20 4.030 10.354 2.947 1.00 0.00 H new ATOM 0 HB VAL A 20 6.366 11.480 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.266 13.411 2.966 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.833 13.319 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.723 12.805 3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.465 11.358 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.990 10.636 4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.912 9.761 3.077 1.00 0.00 H new ATOM 253 N LEU A 21 2.304 11.495 1.690 1.00 0.00 N ATOM 254 CA LEU A 21 1.241 12.194 0.988 1.00 0.00 C ATOM 255 C LEU A 21 0.819 13.420 1.800 1.00 0.00 C ATOM 256 O LEU A 21 0.574 13.319 3.001 1.00 0.00 O ATOM 257 CB LEU A 21 0.089 11.238 0.673 1.00 0.00 C ATOM 258 CG LEU A 21 0.464 9.959 -0.078 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.661 8.926 0.002 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.858 10.267 -1.524 1.00 0.00 C ATOM 0 H LEU A 21 2.049 11.149 2.615 1.00 0.00 H new ATOM 0 HA LEU A 21 1.596 12.558 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.391 10.957 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.653 11.777 0.084 1.00 0.00 H new ATOM 0 HG LEU A 21 1.337 9.522 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.368 8.027 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.851 8.675 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.566 9.339 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.120 9.340 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.020 10.740 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.715 10.940 -1.532 1.00 0.00 H new ATOM 272 N THR A 22 0.746 14.550 1.112 1.00 0.00 N ATOM 273 CA THR A 22 0.358 15.794 1.755 1.00 0.00 C ATOM 274 C THR A 22 -1.122 16.088 1.498 1.00 0.00 C ATOM 275 O THR A 22 -1.512 16.389 0.370 1.00 0.00 O ATOM 276 CB THR A 22 1.292 16.897 1.254 1.00 0.00 C ATOM 277 OG1 THR A 22 2.566 16.263 1.175 1.00 0.00 O ATOM 278 CG2 THR A 22 1.492 18.008 2.287 1.00 0.00 C ATOM 0 H THR A 22 0.949 14.630 0.116 1.00 0.00 H new ATOM 0 HA THR A 22 0.461 15.728 2.838 1.00 0.00 H new ATOM 0 HB THR A 22 0.890 17.324 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.233 16.907 0.856 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.163 18.765 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.530 18.464 2.522 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.926 17.587 3.194 1.00 0.00 H new ATOM 286 N ALA A 23 -1.905 15.990 2.562 1.00 0.00 N ATOM 287 CA ALA A 23 -3.333 16.242 2.465 1.00 0.00 C ATOM 288 C ALA A 23 -3.568 17.511 1.644 1.00 0.00 C ATOM 289 O ALA A 23 -3.438 18.621 2.159 1.00 0.00 O ATOM 290 CB ALA A 23 -3.931 16.337 3.870 1.00 0.00 C ATOM 0 H ALA A 23 -1.578 15.740 3.495 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.834 15.421 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.002 16.526 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.763 15.400 4.401 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.455 17.153 4.414 1.00 0.00 H new ATOM 296 N ASP A 24 -3.911 17.306 0.381 1.00 0.00 N ATOM 297 CA ASP A 24 -4.166 18.420 -0.516 1.00 0.00 C ATOM 298 C ASP A 24 -5.270 19.301 0.073 1.00 0.00 C ATOM 299 O ASP A 24 -5.991 18.879 0.975 1.00 0.00 O ATOM 300 CB ASP A 24 -4.636 17.928 -1.887 1.00 0.00 C ATOM 301 CG ASP A 24 -3.824 18.450 -3.074 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.582 18.494 -2.937 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.464 18.793 -4.092 1.00 0.00 O ATOM 0 H ASP A 24 -4.018 16.384 -0.043 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.237 18.978 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.605 16.838 -1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.678 18.218 -2.023 1.00 0.00 H new ATOM 308 N PRO A 25 -5.368 20.542 -0.475 1.00 0.00 N ATOM 309 CA PRO A 25 -6.371 21.487 -0.014 1.00 0.00 C ATOM 310 C PRO A 25 -7.760 21.109 -0.533 1.00 0.00 C ATOM 311 O PRO A 25 -8.734 21.819 -0.285 1.00 0.00 O ATOM 312 CB PRO A 25 -5.898 22.841 -0.516 1.00 0.00 C ATOM 313 CG PRO A 25 -4.903 22.548 -1.628 1.00 0.00 C ATOM 314 CD PRO A 25 -4.531 21.077 -1.545 1.00 0.00 C ATOM 0 HA PRO A 25 -6.474 21.494 1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.734 23.434 -0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.431 23.413 0.285 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.339 22.777 -2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.016 23.173 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.721 20.567 -2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.472 20.949 -1.321 1.00 0.00 H new ATOM 322 N VAL A 26 -7.807 19.992 -1.244 1.00 0.00 N ATOM 323 CA VAL A 26 -9.061 19.511 -1.800 1.00 0.00 C ATOM 324 C VAL A 26 -9.112 17.986 -1.689 1.00 0.00 C ATOM 325 O VAL A 26 -10.004 17.436 -1.045 1.00 0.00 O ATOM 326 CB VAL A 26 -9.222 20.011 -3.237 1.00 0.00 C ATOM 327 CG1 VAL A 26 -9.600 21.493 -3.262 1.00 0.00 C ATOM 328 CG2 VAL A 26 -7.952 19.756 -4.052 1.00 0.00 C ATOM 0 H VAL A 26 -6.997 19.406 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.905 19.906 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.035 19.449 -3.698 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.708 21.823 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.543 21.637 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.819 22.076 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.093 20.121 -5.069 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.113 20.279 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.744 18.686 -4.076 1.00 0.00 H new ATOM 338 N THR A 27 -8.142 17.345 -2.326 1.00 0.00 N ATOM 339 CA THR A 27 -8.065 15.895 -2.306 1.00 0.00 C ATOM 340 C THR A 27 -6.957 15.432 -1.358 1.00 0.00 C ATOM 341 O THR A 27 -5.932 14.916 -1.800 1.00 0.00 O ATOM 342 CB THR A 27 -7.874 15.412 -3.746 1.00 0.00 C ATOM 343 OG1 THR A 27 -6.900 16.302 -4.283 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.113 15.648 -4.612 1.00 0.00 C ATOM 0 H THR A 27 -7.403 17.804 -2.859 1.00 0.00 H new ATOM 0 HA THR A 27 -8.984 15.456 -1.919 1.00 0.00 H new ATOM 0 HB THR A 27 -7.631 14.350 -3.744 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.609 15.977 -5.160 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.924 15.288 -5.623 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.961 15.111 -4.188 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.338 16.714 -4.643 1.00 0.00 H new ATOM 352 N GLY A 28 -7.202 15.634 -0.071 1.00 0.00 N ATOM 353 CA GLY A 28 -6.237 15.244 0.943 1.00 0.00 C ATOM 354 C GLY A 28 -5.315 14.138 0.427 1.00 0.00 C ATOM 355 O GLY A 28 -4.243 14.418 -0.107 1.00 0.00 O ATOM 0 H GLY A 28 -8.054 16.062 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.643 16.110 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.761 14.899 1.835 1.00 0.00 H new ATOM 359 N PHE A 29 -5.765 12.904 0.605 1.00 0.00 N ATOM 360 CA PHE A 29 -4.994 11.755 0.163 1.00 0.00 C ATOM 361 C PHE A 29 -5.741 10.977 -0.922 1.00 0.00 C ATOM 362 O PHE A 29 -5.121 10.357 -1.784 1.00 0.00 O ATOM 363 CB PHE A 29 -4.802 10.850 1.382 1.00 0.00 C ATOM 364 CG PHE A 29 -4.456 11.604 2.668 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.323 12.353 2.734 1.00 0.00 C ATOM 366 CD2 PHE A 29 -5.282 11.525 3.745 1.00 0.00 C ATOM 367 CE1 PHE A 29 -3.002 13.052 3.927 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.962 12.224 4.939 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.828 12.974 5.004 1.00 0.00 C ATOM 0 H PHE A 29 -6.654 12.675 1.049 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.042 12.084 -0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.715 10.277 1.543 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.009 10.133 1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.667 12.416 1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.182 10.930 3.692 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.101 13.646 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.618 12.161 5.795 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.584 13.507 5.911 1.00 0.00 H new ATOM 379 N GLY A 30 -7.062 11.035 -0.843 1.00 0.00 N ATOM 380 CA GLY A 30 -7.901 10.343 -1.807 1.00 0.00 C ATOM 381 C GLY A 30 -7.451 8.892 -1.984 1.00 0.00 C ATOM 382 O GLY A 30 -6.936 8.522 -3.038 1.00 0.00 O ATOM 0 H GLY A 30 -7.572 11.551 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.939 10.368 -1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.861 10.859 -2.766 1.00 0.00 H new ATOM 386 N ILE A 31 -7.660 8.109 -0.936 1.00 0.00 N ATOM 387 CA ILE A 31 -7.282 6.706 -0.962 1.00 0.00 C ATOM 388 C ILE A 31 -8.422 5.865 -0.382 1.00 0.00 C ATOM 389 O ILE A 31 -9.070 6.271 0.580 1.00 0.00 O ATOM 390 CB ILE A 31 -5.943 6.499 -0.253 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.908 7.522 -0.726 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.448 5.062 -0.425 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.589 7.358 0.031 1.00 0.00 C ATOM 0 H ILE A 31 -8.086 8.420 -0.063 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.128 6.371 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.093 6.662 0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.735 7.402 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.294 8.530 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.494 4.942 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.178 4.373 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.319 4.846 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.871 8.097 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.761 7.503 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.194 6.357 -0.140 1.00 0.00 H new ATOM 405 N GLN A 32 -8.630 4.708 -0.993 1.00 0.00 N ATOM 406 CA GLN A 32 -9.679 3.806 -0.550 1.00 0.00 C ATOM 407 C GLN A 32 -9.098 2.422 -0.252 1.00 0.00 C ATOM 408 O GLN A 32 -8.202 1.956 -0.954 1.00 0.00 O ATOM 409 CB GLN A 32 -10.801 3.718 -1.587 1.00 0.00 C ATOM 410 CG GLN A 32 -11.940 4.680 -1.244 1.00 0.00 C ATOM 411 CD GLN A 32 -13.049 3.964 -0.471 1.00 0.00 C ATOM 412 OE1 GLN A 32 -12.881 2.865 0.032 1.00 0.00 O ATOM 413 NE2 GLN A 32 -14.189 4.645 -0.404 1.00 0.00 N ATOM 0 H GLN A 32 -8.090 4.375 -1.791 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.109 4.204 0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.407 3.953 -2.576 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.182 2.698 -1.630 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.554 5.508 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.348 5.107 -2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.263 5.561 -0.847 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.990 4.252 0.091 1.00 0.00 H new ATOM 422 N LEU A 33 -9.633 1.803 0.790 1.00 0.00 N ATOM 423 CA LEU A 33 -9.179 0.482 1.190 1.00 0.00 C ATOM 424 C LEU A 33 -10.201 -0.563 0.736 1.00 0.00 C ATOM 425 O LEU A 33 -11.339 -0.224 0.414 1.00 0.00 O ATOM 426 CB LEU A 33 -8.889 0.446 2.691 1.00 0.00 C ATOM 427 CG LEU A 33 -7.817 1.417 3.191 1.00 0.00 C ATOM 428 CD1 LEU A 33 -6.427 0.990 2.715 1.00 0.00 C ATOM 429 CD2 LEU A 33 -8.147 2.854 2.784 1.00 0.00 C ATOM 0 H LEU A 33 -10.377 2.192 1.370 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.235 0.240 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.816 0.653 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.587 -0.567 2.958 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.808 1.386 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.683 1.696 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.202 -0.006 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.404 0.975 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.370 3.524 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.200 2.921 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.107 3.142 3.213 1.00 0.00 H new ATOM 441 N GLN A 34 -9.759 -1.811 0.725 1.00 0.00 N ATOM 442 CA GLN A 34 -10.621 -2.907 0.315 1.00 0.00 C ATOM 443 C GLN A 34 -11.035 -3.739 1.531 1.00 0.00 C ATOM 444 O GLN A 34 -10.336 -3.755 2.544 1.00 0.00 O ATOM 445 CB GLN A 34 -9.936 -3.779 -0.739 1.00 0.00 C ATOM 446 CG GLN A 34 -10.747 -3.813 -2.035 1.00 0.00 C ATOM 447 CD GLN A 34 -11.927 -4.780 -1.918 1.00 0.00 C ATOM 448 OE1 GLN A 34 -13.076 -4.386 -1.798 1.00 0.00 O ATOM 449 NE2 GLN A 34 -11.581 -6.063 -1.960 1.00 0.00 N ATOM 0 H GLN A 34 -8.815 -2.088 0.993 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.520 -2.488 -0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.937 -3.393 -0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.815 -4.792 -0.355 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.113 -2.813 -2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.105 -4.115 -2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.600 -6.324 -2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -12.296 -6.787 -1.890 1.00 0.00 H new ATOM 620 N PRO A 47 -5.143 -4.547 4.003 1.00 0.00 N ATOM 621 CA PRO A 47 -5.988 -3.591 3.307 1.00 0.00 C ATOM 622 C PRO A 47 -5.297 -3.066 2.046 1.00 0.00 C ATOM 623 O PRO A 47 -4.359 -2.275 2.132 1.00 0.00 O ATOM 624 CB PRO A 47 -6.272 -2.501 4.326 1.00 0.00 C ATOM 625 CG PRO A 47 -5.205 -2.646 5.400 1.00 0.00 C ATOM 626 CD PRO A 47 -4.533 -3.996 5.209 1.00 0.00 C ATOM 0 HA PRO A 47 -6.917 -4.034 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.230 -1.514 3.865 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.270 -2.613 4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.474 -1.841 5.323 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.650 -2.578 6.393 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.454 -3.889 5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.698 -4.646 6.069 1.00 0.00 H new ATOM 634 N LEU A 48 -5.788 -3.528 0.905 1.00 0.00 N ATOM 635 CA LEU A 48 -5.230 -3.115 -0.371 1.00 0.00 C ATOM 636 C LEU A 48 -5.957 -1.861 -0.859 1.00 0.00 C ATOM 637 O LEU A 48 -7.145 -1.685 -0.593 1.00 0.00 O ATOM 638 CB LEU A 48 -5.263 -4.273 -1.370 1.00 0.00 C ATOM 639 CG LEU A 48 -4.977 -5.663 -0.797 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.817 -6.730 -1.501 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.482 -5.982 -0.851 1.00 0.00 C ATOM 0 H LEU A 48 -6.566 -4.184 0.838 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.178 -2.851 -0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.245 -4.292 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.536 -4.069 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.268 -5.666 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.594 -7.708 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.875 -6.508 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.581 -6.736 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.307 -6.975 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.141 -5.954 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.931 -5.244 -0.268 1.00 0.00 H new ATOM 653 N ILE A 49 -5.214 -1.021 -1.564 1.00 0.00 N ATOM 654 CA ILE A 49 -5.773 0.212 -2.092 1.00 0.00 C ATOM 655 C ILE A 49 -6.898 -0.122 -3.073 1.00 0.00 C ATOM 656 O ILE A 49 -6.640 -0.558 -4.194 1.00 0.00 O ATOM 657 CB ILE A 49 -4.671 1.086 -2.694 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.876 1.798 -1.598 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.247 2.069 -3.714 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.696 2.572 -2.191 1.00 0.00 C ATOM 0 H ILE A 49 -4.229 -1.170 -1.782 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.214 0.804 -1.290 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.975 0.439 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.529 2.482 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.511 1.068 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.443 2.678 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.733 1.516 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.977 2.714 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.148 3.069 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.032 1.881 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.067 3.318 -2.894 1.00 0.00 H new ATOM 672 N SER A 50 -8.123 0.094 -2.616 1.00 0.00 N ATOM 673 CA SER A 50 -9.288 -0.179 -3.440 1.00 0.00 C ATOM 674 C SER A 50 -9.314 0.769 -4.641 1.00 0.00 C ATOM 675 O SER A 50 -9.387 0.324 -5.786 1.00 0.00 O ATOM 676 CB SER A 50 -10.579 -0.045 -2.630 1.00 0.00 C ATOM 677 OG SER A 50 -11.732 0.005 -3.467 1.00 0.00 O ATOM 0 H SER A 50 -8.334 0.455 -1.686 1.00 0.00 H new ATOM 0 HA SER A 50 -9.220 -1.206 -3.798 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.665 -0.887 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.533 0.858 -2.022 1.00 0.00 H new ATOM 0 HG SER A 50 -12.536 0.089 -2.912 1.00 0.00 H new ATOM 683 N TYR A 51 -9.252 2.057 -4.339 1.00 0.00 N ATOM 684 CA TYR A 51 -9.267 3.071 -5.379 1.00 0.00 C ATOM 685 C TYR A 51 -8.337 4.234 -5.025 1.00 0.00 C ATOM 686 O TYR A 51 -7.965 4.405 -3.865 1.00 0.00 O ATOM 687 CB TYR A 51 -10.706 3.587 -5.444 1.00 0.00 C ATOM 688 CG TYR A 51 -10.916 4.720 -6.451 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.986 4.440 -7.800 1.00 0.00 C ATOM 690 CD2 TYR A 51 -11.035 6.022 -6.009 1.00 0.00 C ATOM 691 CE1 TYR A 51 -11.184 5.506 -8.748 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.233 7.088 -6.956 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.298 6.778 -8.279 1.00 0.00 C ATOM 694 OH TYR A 51 -11.484 7.785 -9.174 1.00 0.00 O ATOM 0 H TYR A 51 -9.191 2.422 -3.388 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.929 2.653 -6.327 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.367 2.759 -5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.001 3.935 -4.454 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.892 3.421 -8.145 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.980 6.241 -4.953 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.241 5.300 -9.807 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.328 8.111 -6.624 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.549 8.639 -8.697 1.00 0.00 H new ATOM 704 N ILE A 52 -7.988 5.002 -6.046 1.00 0.00 N ATOM 705 CA ILE A 52 -7.109 6.143 -5.858 1.00 0.00 C ATOM 706 C ILE A 52 -7.665 7.343 -6.627 1.00 0.00 C ATOM 707 O ILE A 52 -7.590 7.387 -7.854 1.00 0.00 O ATOM 708 CB ILE A 52 -5.672 5.781 -6.239 1.00 0.00 C ATOM 709 CG1 ILE A 52 -5.136 4.657 -5.350 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.769 7.016 -6.209 1.00 0.00 C ATOM 711 CD1 ILE A 52 -4.059 3.849 -6.077 1.00 0.00 C ATOM 0 H ILE A 52 -8.298 4.856 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.074 6.427 -4.806 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.674 5.408 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.723 5.079 -4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.954 3.999 -5.057 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.753 6.731 -6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.142 7.757 -6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.768 7.441 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.695 3.057 -5.423 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.482 3.409 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.232 4.505 -6.347 1.00 0.00 H new ATOM 723 N GLU A 53 -8.211 8.287 -5.875 1.00 0.00 N ATOM 724 CA GLU A 53 -8.780 9.484 -6.470 1.00 0.00 C ATOM 725 C GLU A 53 -7.786 10.113 -7.449 1.00 0.00 C ATOM 726 O GLU A 53 -6.576 9.947 -7.303 1.00 0.00 O ATOM 727 CB GLU A 53 -9.199 10.486 -5.394 1.00 0.00 C ATOM 728 CG GLU A 53 -10.719 10.502 -5.221 1.00 0.00 C ATOM 729 CD GLU A 53 -11.204 9.239 -4.507 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.346 8.572 -3.888 1.00 0.00 O ATOM 731 OE2 GLU A 53 -12.421 8.967 -4.596 1.00 0.00 O ATOM 0 H GLU A 53 -8.271 8.247 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.676 9.201 -7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.724 10.228 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.850 11.483 -5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.014 11.382 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.199 10.579 -6.197 1.00 0.00 H new ATOM 738 N ALA A 54 -8.334 10.823 -8.424 1.00 0.00 N ATOM 739 CA ALA A 54 -7.511 11.478 -9.426 1.00 0.00 C ATOM 740 C ALA A 54 -7.130 12.876 -8.933 1.00 0.00 C ATOM 741 O ALA A 54 -7.742 13.397 -8.002 1.00 0.00 O ATOM 742 CB ALA A 54 -8.261 11.514 -10.759 1.00 0.00 C ATOM 0 H ALA A 54 -9.338 10.959 -8.541 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.587 10.922 -9.587 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.643 12.005 -11.511 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.482 10.496 -11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.193 12.066 -10.637 1.00 0.00 H new ATOM 748 N ASP A 55 -6.122 13.442 -9.580 1.00 0.00 N ATOM 749 CA ASP A 55 -5.653 14.769 -9.219 1.00 0.00 C ATOM 750 C ASP A 55 -5.323 14.800 -7.726 1.00 0.00 C ATOM 751 O ASP A 55 -5.268 15.869 -7.120 1.00 0.00 O ATOM 752 CB ASP A 55 -6.727 15.825 -9.488 1.00 0.00 C ATOM 753 CG ASP A 55 -6.268 17.274 -9.313 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.135 17.567 -9.752 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.059 18.056 -8.744 1.00 0.00 O ATOM 0 H ASP A 55 -5.617 13.006 -10.352 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.771 14.990 -9.821 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.094 15.697 -10.506 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.569 15.643 -8.820 1.00 0.00 H new ATOM 760 N SER A 56 -5.112 13.614 -7.174 1.00 0.00 N ATOM 761 CA SER A 56 -4.788 13.491 -5.763 1.00 0.00 C ATOM 762 C SER A 56 -3.292 13.221 -5.590 1.00 0.00 C ATOM 763 O SER A 56 -2.602 12.891 -6.554 1.00 0.00 O ATOM 764 CB SER A 56 -5.608 12.379 -5.105 1.00 0.00 C ATOM 765 OG SER A 56 -4.843 11.191 -4.920 1.00 0.00 O ATOM 0 H SER A 56 -5.159 12.729 -7.679 1.00 0.00 H new ATOM 0 HA SER A 56 -5.039 14.431 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.980 12.725 -4.141 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.479 12.157 -5.722 1.00 0.00 H new ATOM 0 HG SER A 56 -5.149 10.504 -5.548 1.00 0.00 H new ATOM 771 N PRO A 57 -2.823 13.376 -4.324 1.00 0.00 N ATOM 772 CA PRO A 57 -1.421 13.153 -4.012 1.00 0.00 C ATOM 773 C PRO A 57 -1.097 11.658 -3.987 1.00 0.00 C ATOM 774 O PRO A 57 0.065 11.269 -4.095 1.00 0.00 O ATOM 775 CB PRO A 57 -1.203 13.830 -2.669 1.00 0.00 C ATOM 776 CG PRO A 57 -2.586 14.004 -2.061 1.00 0.00 C ATOM 777 CD PRO A 57 -3.611 13.766 -3.158 1.00 0.00 C ATOM 0 HA PRO A 57 -0.752 13.569 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.566 13.224 -2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.707 14.793 -2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.734 13.301 -1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.697 15.006 -1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.317 12.984 -2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.194 14.665 -3.357 1.00 0.00 H new ATOM 785 N ALA A 58 -2.144 10.860 -3.843 1.00 0.00 N ATOM 786 CA ALA A 58 -1.985 9.416 -3.802 1.00 0.00 C ATOM 787 C ALA A 58 -1.696 8.899 -5.213 1.00 0.00 C ATOM 788 O ALA A 58 -1.044 7.869 -5.379 1.00 0.00 O ATOM 789 CB ALA A 58 -3.238 8.781 -3.195 1.00 0.00 C ATOM 0 H ALA A 58 -3.106 11.186 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.141 9.141 -3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.119 7.698 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.384 9.159 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.106 9.033 -3.805 1.00 0.00 H new ATOM 795 N GLU A 59 -2.195 9.637 -6.194 1.00 0.00 N ATOM 796 CA GLU A 59 -1.998 9.266 -7.584 1.00 0.00 C ATOM 797 C GLU A 59 -0.814 10.034 -8.176 1.00 0.00 C ATOM 798 O GLU A 59 -0.010 9.469 -8.916 1.00 0.00 O ATOM 799 CB GLU A 59 -3.269 9.505 -8.401 1.00 0.00 C ATOM 800 CG GLU A 59 -3.176 8.830 -9.771 1.00 0.00 C ATOM 801 CD GLU A 59 -3.338 7.314 -9.647 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.323 6.660 -9.324 1.00 0.00 O ATOM 803 OE2 GLU A 59 -4.472 6.843 -9.878 1.00 0.00 O ATOM 0 H GLU A 59 -2.736 10.490 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.773 8.200 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.132 9.118 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.427 10.576 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.947 9.229 -10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.214 9.060 -10.229 1.00 0.00 H new ATOM 810 N ARG A 60 -0.744 11.310 -7.827 1.00 0.00 N ATOM 811 CA ARG A 60 0.329 12.161 -8.315 1.00 0.00 C ATOM 812 C ARG A 60 1.667 11.423 -8.242 1.00 0.00 C ATOM 813 O ARG A 60 2.358 11.283 -9.249 1.00 0.00 O ATOM 814 CB ARG A 60 0.421 13.452 -7.499 1.00 0.00 C ATOM 815 CG ARG A 60 -0.382 14.576 -8.158 1.00 0.00 C ATOM 816 CD ARG A 60 0.494 15.807 -8.399 1.00 0.00 C ATOM 817 NE ARG A 60 -0.199 16.751 -9.304 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.239 16.621 -10.637 1.00 0.00 C ATOM 819 NH1 ARG A 60 0.374 15.586 -11.228 1.00 0.00 N ATOM 820 NH2 ARG A 60 -0.891 17.526 -11.379 1.00 0.00 N ATOM 0 H ARG A 60 -1.412 11.775 -7.213 1.00 0.00 H new ATOM 0 HA ARG A 60 0.107 12.414 -9.352 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.047 13.276 -6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.464 13.753 -7.404 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.793 14.227 -9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.227 14.845 -7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.717 16.296 -7.451 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.447 15.506 -8.834 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.676 17.550 -8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.871 14.897 -10.663 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.344 15.487 -12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.357 18.314 -10.929 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.921 17.427 -12.394 1.00 0.00 H new ATOM 834 N CYS A 61 1.992 10.970 -7.040 1.00 0.00 N ATOM 835 CA CYS A 61 3.235 10.250 -6.822 1.00 0.00 C ATOM 836 C CYS A 61 3.227 9.001 -7.705 1.00 0.00 C ATOM 837 O CYS A 61 4.274 8.566 -8.181 1.00 0.00 O ATOM 838 CB CYS A 61 3.437 9.905 -5.345 1.00 0.00 C ATOM 839 SG CYS A 61 3.076 11.366 -4.305 1.00 0.00 S ATOM 0 H CYS A 61 1.416 11.088 -6.207 1.00 0.00 H new ATOM 0 HA CYS A 61 4.079 10.883 -7.098 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.785 9.078 -5.064 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.462 9.574 -5.177 1.00 0.00 H new ATOM 0 HG CYS A 61 1.791 11.475 -4.141 1.00 0.00 H new ATOM 845 N GLY A 62 2.034 8.458 -7.896 1.00 0.00 N ATOM 846 CA GLY A 62 1.875 7.267 -8.714 1.00 0.00 C ATOM 847 C GLY A 62 2.651 6.089 -8.121 1.00 0.00 C ATOM 848 O GLY A 62 2.894 5.095 -8.804 1.00 0.00 O ATOM 0 H GLY A 62 1.168 8.821 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.818 7.011 -8.789 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.227 7.467 -9.726 1.00 0.00 H new ATOM 852 N VAL A 63 3.019 6.239 -6.857 1.00 0.00 N ATOM 853 CA VAL A 63 3.762 5.200 -6.165 1.00 0.00 C ATOM 854 C VAL A 63 2.780 4.246 -5.482 1.00 0.00 C ATOM 855 O VAL A 63 3.192 3.293 -4.821 1.00 0.00 O ATOM 856 CB VAL A 63 4.759 5.830 -5.191 1.00 0.00 C ATOM 857 CG1 VAL A 63 5.824 6.634 -5.940 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.041 6.700 -4.158 1.00 0.00 C ATOM 0 H VAL A 63 2.816 7.065 -6.294 1.00 0.00 H new ATOM 0 HA VAL A 63 4.347 4.613 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 63 5.262 5.023 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.520 7.071 -5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.367 5.976 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.345 7.429 -6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.773 7.136 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.499 7.497 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.339 6.088 -3.592 1.00 0.00 H new ATOM 868 N LEU A 64 1.500 4.535 -5.663 1.00 0.00 N ATOM 869 CA LEU A 64 0.456 3.715 -5.072 1.00 0.00 C ATOM 870 C LEU A 64 -0.419 3.132 -6.184 1.00 0.00 C ATOM 871 O LEU A 64 -1.135 3.865 -6.864 1.00 0.00 O ATOM 872 CB LEU A 64 -0.327 4.514 -4.029 1.00 0.00 C ATOM 873 CG LEU A 64 0.509 5.214 -2.955 1.00 0.00 C ATOM 874 CD1 LEU A 64 -0.072 6.589 -2.619 1.00 0.00 C ATOM 875 CD2 LEU A 64 0.654 4.334 -1.712 1.00 0.00 C ATOM 0 H LEU A 64 1.162 5.326 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 64 0.892 2.873 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.921 5.267 -4.547 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.027 3.841 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 64 1.511 5.375 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.540 7.066 -1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.080 7.209 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.091 6.473 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.252 4.855 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.333 4.119 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.146 3.400 -1.983 1.00 0.00 H new ATOM 887 N GLN A 65 -0.333 1.818 -6.334 1.00 0.00 N ATOM 888 CA GLN A 65 -1.108 1.129 -7.351 1.00 0.00 C ATOM 889 C GLN A 65 -2.426 0.623 -6.761 1.00 0.00 C ATOM 890 O GLN A 65 -2.512 0.354 -5.564 1.00 0.00 O ATOM 891 CB GLN A 65 -0.306 -0.020 -7.967 1.00 0.00 C ATOM 892 CG GLN A 65 -0.992 -0.554 -9.225 1.00 0.00 C ATOM 893 CD GLN A 65 0.023 -0.783 -10.348 1.00 0.00 C ATOM 894 OE1 GLN A 65 1.193 -0.453 -10.239 1.00 0.00 O ATOM 895 NE2 GLN A 65 -0.488 -1.364 -11.429 1.00 0.00 N ATOM 0 H GLN A 65 0.262 1.213 -5.768 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.337 1.837 -8.148 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.698 0.324 -8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.197 -0.824 -7.239 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.503 -1.489 -8.996 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.753 0.152 -9.556 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.476 -1.615 -11.454 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.108 -1.559 -12.233 1.00 0.00 H new ATOM 904 N ILE A 66 -3.420 0.508 -7.630 1.00 0.00 N ATOM 905 CA ILE A 66 -4.730 0.038 -7.210 1.00 0.00 C ATOM 906 C ILE A 66 -4.623 -1.419 -6.757 1.00 0.00 C ATOM 907 O ILE A 66 -4.566 -2.328 -7.584 1.00 0.00 O ATOM 908 CB ILE A 66 -5.760 0.264 -8.318 1.00 0.00 C ATOM 909 CG1 ILE A 66 -6.022 1.757 -8.528 1.00 0.00 C ATOM 910 CG2 ILE A 66 -7.049 -0.509 -8.034 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.835 2.339 -7.370 1.00 0.00 C ATOM 0 H ILE A 66 -3.345 0.732 -8.622 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.085 0.612 -6.354 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.349 -0.125 -9.250 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.074 2.288 -8.614 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.558 1.908 -9.465 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.764 -0.331 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.828 -1.575 -7.974 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.474 -0.173 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.007 3.401 -7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.792 1.823 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.285 2.209 -6.438 1.00 0.00 H new ATOM 923 N GLY A 67 -4.600 -1.597 -5.444 1.00 0.00 N ATOM 924 CA GLY A 67 -4.502 -2.928 -4.871 1.00 0.00 C ATOM 925 C GLY A 67 -3.119 -3.161 -4.259 1.00 0.00 C ATOM 926 O GLY A 67 -2.614 -4.283 -4.266 1.00 0.00 O ATOM 0 H GLY A 67 -4.648 -0.841 -4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.268 -3.056 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.693 -3.675 -5.642 1.00 0.00 H new ATOM 930 N ASP A 68 -2.545 -2.083 -3.746 1.00 0.00 N ATOM 931 CA ASP A 68 -1.230 -2.156 -3.132 1.00 0.00 C ATOM 932 C ASP A 68 -1.251 -3.200 -2.014 1.00 0.00 C ATOM 933 O ASP A 68 -2.206 -3.967 -1.893 1.00 0.00 O ATOM 934 CB ASP A 68 -0.834 -0.813 -2.516 1.00 0.00 C ATOM 935 CG ASP A 68 -1.653 -0.395 -1.294 1.00 0.00 C ATOM 936 OD1 ASP A 68 -2.743 -0.980 -1.114 1.00 0.00 O ATOM 937 OD2 ASP A 68 -1.171 0.500 -0.567 1.00 0.00 O ATOM 0 H ASP A 68 -2.966 -1.154 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.511 -2.424 -3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.217 -0.857 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.926 -0.039 -3.278 1.00 0.00 H new ATOM 942 N ARG A 69 -0.187 -3.197 -1.224 1.00 0.00 N ATOM 943 CA ARG A 69 -0.071 -4.134 -0.120 1.00 0.00 C ATOM 944 C ARG A 69 0.378 -3.407 1.149 1.00 0.00 C ATOM 945 O ARG A 69 1.365 -3.793 1.773 1.00 0.00 O ATOM 946 CB ARG A 69 0.929 -5.246 -0.444 1.00 0.00 C ATOM 947 CG ARG A 69 2.034 -4.736 -1.371 1.00 0.00 C ATOM 948 CD ARG A 69 1.579 -4.761 -2.832 1.00 0.00 C ATOM 949 NE ARG A 69 2.695 -5.191 -3.703 1.00 0.00 N ATOM 950 CZ ARG A 69 3.637 -4.366 -4.179 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.604 -3.062 -3.872 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.613 -4.845 -4.963 1.00 0.00 N ATOM 0 H ARG A 69 0.603 -2.560 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.053 -4.580 0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.369 -5.624 0.479 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.410 -6.081 -0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.309 -3.720 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.925 -5.352 -1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.735 -5.441 -2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.234 -3.771 -3.131 1.00 0.00 H new ATOM 0 HE ARG A 69 2.751 -6.177 -3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.861 -2.697 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.322 -2.434 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.638 -5.837 -5.197 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.330 -4.217 -5.326 1.00 0.00 H new ATOM 966 N VAL A 70 -0.369 -2.368 1.493 1.00 0.00 N ATOM 967 CA VAL A 70 -0.060 -1.583 2.676 1.00 0.00 C ATOM 968 C VAL A 70 0.313 -2.524 3.823 1.00 0.00 C ATOM 969 O VAL A 70 -0.503 -3.336 4.255 1.00 0.00 O ATOM 970 CB VAL A 70 -1.235 -0.663 3.015 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.359 -1.441 3.702 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.777 0.516 3.876 1.00 0.00 C ATOM 0 H VAL A 70 -1.188 -2.052 0.973 1.00 0.00 H new ATOM 0 HA VAL A 70 0.799 -0.937 2.493 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.628 -0.262 2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.182 -0.764 3.932 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.713 -2.230 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.984 -1.883 4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.631 1.154 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.346 0.142 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.027 1.092 3.334 1.00 0.00 H new ATOM 982 N MET A 71 1.548 -2.383 4.284 1.00 0.00 N ATOM 983 CA MET A 71 2.039 -3.210 5.373 1.00 0.00 C ATOM 984 C MET A 71 1.844 -2.514 6.721 1.00 0.00 C ATOM 985 O MET A 71 1.904 -3.155 7.769 1.00 0.00 O ATOM 986 CB MET A 71 3.525 -3.504 5.160 1.00 0.00 C ATOM 987 CG MET A 71 3.803 -3.907 3.711 1.00 0.00 C ATOM 988 SD MET A 71 3.026 -5.474 3.354 1.00 0.00 S ATOM 989 CE MET A 71 3.936 -6.531 4.467 1.00 0.00 C ATOM 0 H MET A 71 2.223 -1.708 3.923 1.00 0.00 H new ATOM 0 HA MET A 71 1.473 -4.141 5.381 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.114 -2.623 5.415 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.841 -4.303 5.830 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.425 -3.142 3.033 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.878 -3.978 3.544 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.134 -7.486 3.981 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.880 -6.055 4.730 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.350 -6.698 5.371 1.00 0.00 H new ATOM 999 N ALA A 72 1.614 -1.211 6.651 1.00 0.00 N ATOM 1000 CA ALA A 72 1.409 -0.421 7.853 1.00 0.00 C ATOM 1001 C ALA A 72 1.062 1.017 7.461 1.00 0.00 C ATOM 1002 O ALA A 72 1.383 1.458 6.358 1.00 0.00 O ATOM 1003 CB ALA A 72 2.658 -0.499 8.734 1.00 0.00 C ATOM 0 H ALA A 72 1.565 -0.682 5.780 1.00 0.00 H new ATOM 0 HA ALA A 72 0.575 -0.815 8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.505 0.094 9.636 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.845 -1.537 9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.515 -0.109 8.185 1.00 0.00 H new ATOM 1009 N ILE A 73 0.410 1.708 8.384 1.00 0.00 N ATOM 1010 CA ILE A 73 0.016 3.086 8.149 1.00 0.00 C ATOM 1011 C ILE A 73 0.577 3.970 9.264 1.00 0.00 C ATOM 1012 O ILE A 73 -0.076 4.174 10.287 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.502 3.189 7.987 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -1.979 2.395 6.769 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -1.950 4.651 7.929 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.503 2.258 6.766 1.00 0.00 C ATOM 0 H ILE A 73 0.145 1.339 9.297 1.00 0.00 H new ATOM 0 HA ILE A 73 0.439 3.448 7.212 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.970 2.744 8.865 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.653 2.893 5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.521 1.406 6.773 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.033 4.695 7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.662 5.157 8.851 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.474 5.144 7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.815 1.690 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.823 1.738 7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.957 3.248 6.737 1.00 0.00 H new ATOM 1028 N ASN A 74 1.780 4.472 9.029 1.00 0.00 N ATOM 1029 CA ASN A 74 2.436 5.330 10.002 1.00 0.00 C ATOM 1030 C ASN A 74 3.112 4.463 11.066 1.00 0.00 C ATOM 1031 O ASN A 74 3.520 4.964 12.113 1.00 0.00 O ATOM 1032 CB ASN A 74 1.426 6.239 10.704 1.00 0.00 C ATOM 1033 CG ASN A 74 0.372 6.751 9.720 1.00 0.00 C ATOM 1034 OD1 ASN A 74 0.514 6.654 8.512 1.00 0.00 O ATOM 1035 ND2 ASN A 74 -0.690 7.299 10.302 1.00 0.00 N ATOM 0 H ASN A 74 2.318 4.301 8.179 1.00 0.00 H new ATOM 0 HA ASN A 74 3.166 5.943 9.473 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.939 5.692 11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.945 7.083 11.158 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.450 7.670 9.731 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.745 7.348 11.319 1.00 0.00 H new ATOM 1042 N GLY A 75 3.209 3.177 10.762 1.00 0.00 N ATOM 1043 CA GLY A 75 3.829 2.236 11.680 1.00 0.00 C ATOM 1044 C GLY A 75 2.806 1.222 12.197 1.00 0.00 C ATOM 1045 O GLY A 75 3.166 0.103 12.562 1.00 0.00 O ATOM 0 H GLY A 75 2.869 2.765 9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.643 1.713 11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.268 2.776 12.519 1.00 0.00 H new ATOM 1049 N ILE A 76 1.552 1.649 12.213 1.00 0.00 N ATOM 1050 CA ILE A 76 0.476 0.792 12.680 1.00 0.00 C ATOM 1051 C ILE A 76 0.407 -0.458 11.801 1.00 0.00 C ATOM 1052 O ILE A 76 0.561 -0.375 10.584 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.839 1.571 12.745 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.764 2.688 13.788 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.021 0.632 12.994 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -2.163 3.106 14.245 1.00 0.00 C ATOM 0 H ILE A 76 1.257 2.577 11.910 1.00 0.00 H new ATOM 0 HA ILE A 76 0.672 0.456 13.698 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.003 2.045 11.777 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.183 2.351 14.646 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.243 3.548 13.368 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.943 1.211 13.036 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.085 -0.095 12.184 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.878 0.109 13.940 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.081 3.901 14.986 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.733 3.466 13.388 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.673 2.250 14.686 1.00 0.00 H new ATOM 1068 N PRO A 77 0.170 -1.618 12.470 1.00 0.00 N ATOM 1069 CA PRO A 77 0.078 -2.885 11.763 1.00 0.00 C ATOM 1070 C PRO A 77 -1.252 -3.002 11.017 1.00 0.00 C ATOM 1071 O PRO A 77 -2.310 -3.099 11.638 1.00 0.00 O ATOM 1072 CB PRO A 77 0.254 -3.947 12.835 1.00 0.00 C ATOM 1073 CG PRO A 77 -0.028 -3.255 14.159 1.00 0.00 C ATOM 1074 CD PRO A 77 -0.018 -1.755 13.911 1.00 0.00 C ATOM 0 HA PRO A 77 0.838 -2.991 10.988 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.431 -4.780 12.676 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.264 -4.357 12.816 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.993 -3.570 14.557 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.725 -3.525 14.899 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.952 -1.294 14.234 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.786 -1.268 14.463 1.00 0.00 H new ATOM 1082 N THR A 78 -1.156 -2.988 9.696 1.00 0.00 N ATOM 1083 CA THR A 78 -2.340 -3.091 8.858 1.00 0.00 C ATOM 1084 C THR A 78 -2.797 -4.548 8.760 1.00 0.00 C ATOM 1085 O THR A 78 -2.719 -5.156 7.694 1.00 0.00 O ATOM 1086 CB THR A 78 -2.015 -2.464 7.502 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.681 -2.888 7.233 1.00 0.00 O ATOM 1088 CG2 THR A 78 -1.913 -0.938 7.571 1.00 0.00 C ATOM 0 H THR A 78 -0.277 -2.907 9.185 1.00 0.00 H new ATOM 0 HA THR A 78 -3.180 -2.547 9.290 1.00 0.00 H new ATOM 0 HB THR A 78 -2.782 -2.745 6.780 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.606 -3.154 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.681 -0.544 6.582 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.862 -0.525 7.913 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.123 -0.657 8.268 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.266 -5.065 9.886 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.737 -6.438 9.940 1.00 0.00 C ATOM 1098 C GLU A 79 -4.179 -6.792 11.362 1.00 0.00 C ATOM 1099 O GLU A 79 -3.946 -7.906 11.829 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.661 -7.406 9.444 1.00 0.00 C ATOM 1101 CG GLU A 79 -3.098 -8.094 8.148 1.00 0.00 C ATOM 1102 CD GLU A 79 -2.633 -9.551 8.117 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -3.207 -10.347 8.891 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -1.713 -9.836 7.320 1.00 0.00 O ATOM 0 H GLU A 79 -3.330 -4.557 10.768 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.598 -6.533 9.278 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.729 -6.865 9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.461 -8.156 10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.184 -8.053 8.059 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.687 -7.559 7.292 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.810 -5.824 12.009 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.287 -6.019 13.368 1.00 0.00 C ATOM 1113 C ASP A 80 -6.245 -4.884 13.736 1.00 0.00 C ATOM 1114 O ASP A 80 -6.014 -4.161 14.704 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.128 -6.002 14.367 1.00 0.00 C ATOM 1116 CG ASP A 80 -4.432 -6.644 15.721 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -4.655 -7.875 15.729 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -4.436 -5.891 16.719 1.00 0.00 O ATOM 0 H ASP A 80 -5.002 -4.902 11.618 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.788 -6.986 13.413 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.276 -6.516 13.921 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.826 -4.968 14.532 1.00 0.00 H new ATOM 1123 N SER A 81 -7.300 -4.762 12.943 1.00 0.00 N ATOM 1124 CA SER A 81 -8.293 -3.728 13.173 1.00 0.00 C ATOM 1125 C SER A 81 -9.397 -3.818 12.118 1.00 0.00 C ATOM 1126 O SER A 81 -9.438 -4.768 11.337 1.00 0.00 O ATOM 1127 CB SER A 81 -7.655 -2.337 13.156 1.00 0.00 C ATOM 1128 OG SER A 81 -6.303 -2.376 12.707 1.00 0.00 O ATOM 0 H SER A 81 -7.488 -5.363 12.140 1.00 0.00 H new ATOM 0 HA SER A 81 -8.728 -3.886 14.160 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.234 -1.680 12.507 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.692 -1.909 14.158 1.00 0.00 H new ATOM 0 HG SER A 81 -5.893 -1.494 12.826 1.00 0.00 H new ATOM 1134 N THR A 82 -10.265 -2.817 12.128 1.00 0.00 N ATOM 1135 CA THR A 82 -11.366 -2.771 11.181 1.00 0.00 C ATOM 1136 C THR A 82 -11.025 -1.847 10.011 1.00 0.00 C ATOM 1137 O THR A 82 -10.245 -0.908 10.163 1.00 0.00 O ATOM 1138 CB THR A 82 -12.626 -2.351 11.941 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.498 -0.937 12.070 1.00 0.00 O ATOM 1140 CG2 THR A 82 -12.636 -2.857 13.384 1.00 0.00 C ATOM 0 H THR A 82 -10.228 -2.031 12.777 1.00 0.00 H new ATOM 0 HA THR A 82 -11.548 -3.750 10.738 1.00 0.00 H new ATOM 0 HB THR A 82 -13.506 -2.726 11.419 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.274 -0.581 12.550 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.552 -2.531 13.878 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.590 -3.946 13.388 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.774 -2.455 13.916 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.627 -2.144 8.868 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.397 -1.352 7.673 1.00 0.00 C ATOM 1150 C PHE A 83 -11.507 0.144 7.977 1.00 0.00 C ATOM 1151 O PHE A 83 -10.882 0.965 7.306 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.482 -1.736 6.665 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.784 -0.651 5.631 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.461 0.470 5.998 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -12.374 -0.805 4.343 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.742 1.478 5.038 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.655 0.202 3.383 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.332 1.323 3.751 1.00 0.00 C ATOM 0 H PHE A 83 -12.274 -2.923 8.745 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.396 -1.545 7.287 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -12.175 -2.643 6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.398 -1.973 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.785 0.594 7.021 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.834 -1.694 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.281 2.367 5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.331 0.078 2.360 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.544 2.090 3.021 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.306 0.452 8.988 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.506 1.835 9.389 1.00 0.00 C ATOM 1170 C GLU A 84 -11.212 2.413 9.965 1.00 0.00 C ATOM 1171 O GLU A 84 -10.834 3.539 9.646 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.654 1.954 10.392 1.00 0.00 C ATOM 1173 CG GLU A 84 -15.010 1.881 9.686 1.00 0.00 C ATOM 1174 CD GLU A 84 -16.129 1.559 10.678 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -15.847 0.787 11.620 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -17.240 2.093 10.473 1.00 0.00 O ATOM 0 H GLU A 84 -12.822 -0.232 9.541 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.778 2.413 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.581 1.155 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.572 2.897 10.933 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.219 2.830 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.978 1.118 8.908 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.567 1.615 10.804 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.324 2.034 11.428 1.00 0.00 C ATOM 1185 C GLU A 85 -8.435 2.753 10.411 1.00 0.00 C ATOM 1186 O GLU A 85 -8.203 3.955 10.526 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.593 0.841 12.048 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.093 1.175 13.455 1.00 0.00 C ATOM 1189 CD GLU A 85 -6.565 1.247 13.491 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -5.942 0.177 13.320 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -6.054 2.371 13.689 1.00 0.00 O ATOM 0 H GLU A 85 -10.882 0.681 11.066 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.561 2.731 12.232 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.262 -0.018 12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.751 0.558 11.417 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.513 2.128 13.778 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.442 0.418 14.158 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.963 1.986 9.439 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.105 2.535 8.403 1.00 0.00 C ATOM 1200 C ALA A 86 -7.749 3.799 7.830 1.00 0.00 C ATOM 1201 O ALA A 86 -7.137 4.866 7.827 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.854 1.472 7.332 1.00 0.00 C ATOM 0 H ALA A 86 -8.159 0.989 9.347 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.137 2.817 8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.210 1.884 6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.369 0.607 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.804 1.167 6.893 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.977 3.638 7.360 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.711 4.753 6.786 1.00 0.00 C ATOM 1210 C ASN A 87 -9.728 5.913 7.782 1.00 0.00 C ATOM 1211 O ASN A 87 -9.932 7.064 7.397 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.161 4.363 6.489 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.709 5.155 5.300 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.859 6.365 5.342 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -11.998 4.407 4.239 1.00 0.00 N ATOM 0 H ASN A 87 -9.482 2.752 7.365 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.217 5.040 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.218 3.295 6.277 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.778 4.547 7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.369 4.842 3.394 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.849 3.398 4.270 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.512 5.572 9.044 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.500 6.571 10.099 1.00 0.00 C ATOM 1224 C GLN A 88 -8.094 7.152 10.263 1.00 0.00 C ATOM 1225 O GLN A 88 -7.938 8.337 10.551 1.00 0.00 O ATOM 1226 CB GLN A 88 -10.008 5.984 11.417 1.00 0.00 C ATOM 1227 CG GLN A 88 -11.077 6.882 12.041 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.371 6.843 11.226 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.884 7.855 10.778 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.869 5.620 11.060 1.00 0.00 N ATOM 0 H GLN A 88 -9.344 4.617 9.360 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.175 7.378 9.816 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.420 4.990 11.242 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.176 5.866 12.111 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.277 6.559 13.063 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.709 7.906 12.097 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.389 4.815 11.462 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.731 5.488 10.531 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.106 6.289 10.073 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.718 6.702 10.197 1.00 0.00 C ATOM 1241 C LEU A 89 -5.437 7.835 9.208 1.00 0.00 C ATOM 1242 O LEU A 89 -4.441 8.545 9.338 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.785 5.500 10.036 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.829 4.462 11.160 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.621 3.526 11.089 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -4.951 5.138 12.527 1.00 0.00 C ATOM 0 H LEU A 89 -7.239 5.306 9.834 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.525 7.095 11.195 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.026 5.001 9.098 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.763 5.868 9.948 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.720 3.849 11.024 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.677 2.798 11.899 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.620 3.005 10.132 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.704 4.107 11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.980 4.378 13.308 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.093 5.791 12.688 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.867 5.728 12.561 1.00 0.00 H new ATOM 1258 N LEU A 90 -6.333 7.968 8.240 1.00 0.00 N ATOM 1259 CA LEU A 90 -6.193 9.003 7.229 1.00 0.00 C ATOM 1260 C LEU A 90 -6.723 10.327 7.784 1.00 0.00 C ATOM 1261 O LEU A 90 -6.012 11.330 7.790 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.865 8.571 5.924 1.00 0.00 C ATOM 1263 CG LEU A 90 -6.088 7.567 5.071 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.785 7.332 3.729 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.634 8.009 4.891 1.00 0.00 C ATOM 0 H LEU A 90 -7.158 7.377 8.135 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.142 9.157 6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.836 8.139 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.052 9.461 5.323 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.072 6.613 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.212 6.614 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.787 6.940 3.903 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.853 8.274 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.104 7.278 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.607 8.981 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.153 8.084 5.866 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.967 10.286 8.238 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.600 11.470 8.793 1.00 0.00 C ATOM 1279 C ARG A 91 -7.723 12.074 9.892 1.00 0.00 C ATOM 1280 O ARG A 91 -7.867 13.248 10.231 1.00 0.00 O ATOM 1281 CB ARG A 91 -9.976 11.138 9.373 1.00 0.00 C ATOM 1282 CG ARG A 91 -9.849 10.270 10.627 1.00 0.00 C ATOM 1283 CD ARG A 91 -10.923 10.630 11.655 1.00 0.00 C ATOM 1284 NE ARG A 91 -10.454 10.288 13.017 1.00 0.00 N ATOM 1285 CZ ARG A 91 -11.110 10.611 14.140 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -12.266 11.286 14.070 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -10.610 10.259 15.332 1.00 0.00 N ATOM 0 H ARG A 91 -8.553 9.451 8.233 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.724 12.190 7.984 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.504 12.060 9.617 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.574 10.617 8.625 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.938 9.218 10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.861 10.403 11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.152 11.694 11.597 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.845 10.093 11.433 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.577 9.775 13.106 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.646 11.554 13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.766 11.532 14.925 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -9.730 9.745 15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.109 10.505 16.187 1.00 0.00 H new ATOM 1301 N ASP A 92 -6.835 11.245 10.419 1.00 0.00 N ATOM 1302 CA ASP A 92 -5.935 11.682 11.473 1.00 0.00 C ATOM 1303 C ASP A 92 -4.764 12.447 10.853 1.00 0.00 C ATOM 1304 O ASP A 92 -4.606 13.644 11.088 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.366 10.489 12.242 1.00 0.00 C ATOM 1306 CG ASP A 92 -5.277 10.679 13.758 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -6.129 11.424 14.287 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -4.358 10.075 14.353 1.00 0.00 O ATOM 0 H ASP A 92 -6.719 10.272 10.136 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.500 12.315 12.157 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.984 9.615 12.036 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.369 10.271 11.859 1.00 0.00 H new ATOM 1313 N SER A 93 -3.974 11.724 10.073 1.00 0.00 N ATOM 1314 CA SER A 93 -2.822 12.320 9.418 1.00 0.00 C ATOM 1315 C SER A 93 -3.170 13.725 8.923 1.00 0.00 C ATOM 1316 O SER A 93 -2.345 14.634 8.995 1.00 0.00 O ATOM 1317 CB SER A 93 -2.341 11.451 8.253 1.00 0.00 C ATOM 1318 OG SER A 93 -1.581 10.332 8.701 1.00 0.00 O ATOM 0 H SER A 93 -4.109 10.732 9.880 1.00 0.00 H new ATOM 0 HA SER A 93 -2.012 12.388 10.145 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.201 11.100 7.683 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.735 12.054 7.577 1.00 0.00 H new ATOM 0 HG SER A 93 -2.179 9.675 9.115 1.00 0.00 H new ATOM 1324 N SER A 94 -4.393 13.859 8.431 1.00 0.00 N ATOM 1325 CA SER A 94 -4.860 15.138 7.925 1.00 0.00 C ATOM 1326 C SER A 94 -4.409 16.266 8.855 1.00 0.00 C ATOM 1327 O SER A 94 -4.194 17.393 8.412 1.00 0.00 O ATOM 1328 CB SER A 94 -6.383 15.149 7.777 1.00 0.00 C ATOM 1329 OG SER A 94 -6.871 16.427 7.380 1.00 0.00 O ATOM 0 H SER A 94 -5.075 13.102 8.372 1.00 0.00 H new ATOM 0 HA SER A 94 -4.425 15.294 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.681 14.402 7.041 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.841 14.864 8.724 1.00 0.00 H new ATOM 0 HG SER A 94 -7.847 16.393 7.295 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.279 15.923 10.128 1.00 0.00 N ATOM 1336 CA ILE A 95 -3.858 16.892 11.125 1.00 0.00 C ATOM 1337 C ILE A 95 -2.515 17.495 10.708 1.00 0.00 C ATOM 1338 O ILE A 95 -2.436 18.679 10.384 1.00 0.00 O ATOM 1339 CB ILE A 95 -3.841 16.257 12.517 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.261 16.084 13.058 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -2.956 17.057 13.474 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.353 14.865 13.978 1.00 0.00 C ATOM 0 H ILE A 95 -4.458 14.987 10.492 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.573 17.713 11.184 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.405 15.261 12.433 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.557 16.979 13.604 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.959 15.971 12.228 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.962 16.584 14.456 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.936 17.084 13.090 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.339 18.074 13.559 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.373 14.765 14.349 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.080 13.968 13.422 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.672 14.992 14.819 1.00 0.00 H new ATOM 1354 N THR A 96 -1.492 16.653 10.730 1.00 0.00 N ATOM 1355 CA THR A 96 -0.157 17.088 10.358 1.00 0.00 C ATOM 1356 C THR A 96 -0.089 17.379 8.857 1.00 0.00 C ATOM 1357 O THR A 96 0.923 17.873 8.362 1.00 0.00 O ATOM 1358 CB THR A 96 0.834 16.016 10.814 1.00 0.00 C ATOM 1359 OG1 THR A 96 2.100 16.503 10.375 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.660 14.698 10.057 1.00 0.00 C ATOM 0 H THR A 96 -1.561 15.672 11.000 1.00 0.00 H new ATOM 0 HA THR A 96 0.105 18.024 10.851 1.00 0.00 H new ATOM 0 HB THR A 96 0.711 15.840 11.883 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.970 17.127 9.630 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.388 13.972 10.419 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.347 14.315 10.220 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.816 14.867 8.991 1.00 0.00 H new ATOM 1368 N SER A 97 -1.180 17.061 8.175 1.00 0.00 N ATOM 1369 CA SER A 97 -1.257 17.282 6.741 1.00 0.00 C ATOM 1370 C SER A 97 -0.280 16.355 6.016 1.00 0.00 C ATOM 1371 O SER A 97 0.168 16.661 4.911 1.00 0.00 O ATOM 1372 CB SER A 97 -0.962 18.742 6.392 1.00 0.00 C ATOM 1373 OG SER A 97 -2.156 19.494 6.191 1.00 0.00 O ATOM 0 H SER A 97 -2.018 16.652 8.589 1.00 0.00 H new ATOM 0 HA SER A 97 -2.272 17.057 6.414 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.378 19.196 7.193 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.351 18.783 5.490 1.00 0.00 H new ATOM 0 HG SER A 97 -1.926 20.421 5.972 1.00 0.00 H new ATOM 1379 N LYS A 98 0.023 15.241 6.666 1.00 0.00 N ATOM 1380 CA LYS A 98 0.939 14.267 6.096 1.00 0.00 C ATOM 1381 C LYS A 98 0.583 12.873 6.616 1.00 0.00 C ATOM 1382 O LYS A 98 0.393 12.685 7.817 1.00 0.00 O ATOM 1383 CB LYS A 98 2.389 14.674 6.367 1.00 0.00 C ATOM 1384 CG LYS A 98 3.166 14.839 5.060 1.00 0.00 C ATOM 1385 CD LYS A 98 4.344 15.799 5.239 1.00 0.00 C ATOM 1386 CE LYS A 98 4.701 16.481 3.917 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.715 17.538 4.137 1.00 0.00 N ATOM 0 H LYS A 98 -0.350 14.991 7.582 1.00 0.00 H new ATOM 0 HA LYS A 98 0.838 14.237 5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.409 15.609 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.872 13.920 6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.531 13.868 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.501 15.215 4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.093 16.553 5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.209 15.253 5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.083 15.743 3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.806 16.914 3.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.946 17.991 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.337 18.250 4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.575 17.115 4.542 1.00 0.00 H new ATOM 1401 N VAL A 99 0.505 11.932 5.687 1.00 0.00 N ATOM 1402 CA VAL A 99 0.176 10.561 6.037 1.00 0.00 C ATOM 1403 C VAL A 99 1.240 9.623 5.465 1.00 0.00 C ATOM 1404 O VAL A 99 1.763 9.862 4.377 1.00 0.00 O ATOM 1405 CB VAL A 99 -1.238 10.224 5.558 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -1.284 10.093 4.034 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.757 8.953 6.233 1.00 0.00 C ATOM 0 H VAL A 99 0.664 12.092 4.692 1.00 0.00 H new ATOM 0 HA VAL A 99 0.178 10.432 7.119 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.893 11.047 5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.300 9.853 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.976 11.034 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.609 9.298 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.763 8.736 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.098 8.118 5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.779 9.098 7.313 1.00 0.00 H new ATOM 1417 N THR A 100 1.531 8.576 6.223 1.00 0.00 N ATOM 1418 CA THR A 100 2.524 7.602 5.805 1.00 0.00 C ATOM 1419 C THR A 100 1.852 6.274 5.448 1.00 0.00 C ATOM 1420 O THR A 100 0.882 5.873 6.091 1.00 0.00 O ATOM 1421 CB THR A 100 3.562 7.476 6.921 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.146 8.773 7.001 1.00 0.00 O ATOM 1423 CG2 THR A 100 4.730 6.565 6.536 1.00 0.00 C ATOM 0 H THR A 100 1.096 8.381 7.125 1.00 0.00 H new ATOM 0 HA THR A 100 3.037 7.925 4.899 1.00 0.00 H new ATOM 0 HB THR A 100 3.082 7.090 7.820 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.830 8.781 7.703 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.437 6.511 7.364 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.354 5.566 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.231 6.968 5.656 1.00 0.00 H new ATOM 1431 N LEU A 101 2.393 5.630 4.425 1.00 0.00 N ATOM 1432 CA LEU A 101 1.857 4.356 3.975 1.00 0.00 C ATOM 1433 C LEU A 101 3.011 3.387 3.713 1.00 0.00 C ATOM 1434 O LEU A 101 3.821 3.608 2.813 1.00 0.00 O ATOM 1435 CB LEU A 101 0.937 4.558 2.769 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.392 5.261 3.049 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.996 5.826 1.762 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.363 4.329 3.777 1.00 0.00 C ATOM 0 H LEU A 101 3.197 5.966 3.895 1.00 0.00 H new ATOM 0 HA LEU A 101 1.234 3.909 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.478 5.133 2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.724 3.582 2.332 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.198 6.105 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.940 6.320 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.306 6.546 1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.172 5.014 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.300 4.854 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.556 3.451 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.926 4.018 4.726 1.00 0.00 H new ATOM 1450 N GLU A 102 3.050 2.333 4.515 1.00 0.00 N ATOM 1451 CA GLU A 102 4.092 1.329 4.381 1.00 0.00 C ATOM 1452 C GLU A 102 3.728 0.329 3.281 1.00 0.00 C ATOM 1453 O GLU A 102 2.726 -0.377 3.386 1.00 0.00 O ATOM 1454 CB GLU A 102 4.339 0.614 5.711 1.00 0.00 C ATOM 1455 CG GLU A 102 5.749 0.021 5.761 1.00 0.00 C ATOM 1456 CD GLU A 102 6.394 0.255 7.128 1.00 0.00 C ATOM 1457 OE1 GLU A 102 6.159 -0.589 8.019 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.109 1.274 7.251 1.00 0.00 O ATOM 0 H GLU A 102 2.377 2.152 5.260 1.00 0.00 H new ATOM 0 HA GLU A 102 5.018 1.830 4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.206 1.315 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.602 -0.178 5.844 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.705 -1.048 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.365 0.472 4.983 1.00 0.00 H new ATOM 1465 N ILE A 103 4.561 0.301 2.252 1.00 0.00 N ATOM 1466 CA ILE A 103 4.339 -0.601 1.134 1.00 0.00 C ATOM 1467 C ILE A 103 5.481 -1.616 1.069 1.00 0.00 C ATOM 1468 O ILE A 103 6.536 -1.408 1.666 1.00 0.00 O ATOM 1469 CB ILE A 103 4.144 0.190 -0.161 1.00 0.00 C ATOM 1470 CG1 ILE A 103 3.128 1.318 0.032 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.759 -0.736 -1.317 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.708 0.761 0.152 1.00 0.00 C ATOM 0 H ILE A 103 5.391 0.888 2.168 1.00 0.00 H new ATOM 0 HA ILE A 103 3.418 -1.166 1.277 1.00 0.00 H new ATOM 0 HB ILE A 103 5.095 0.654 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.376 1.887 0.928 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.182 2.009 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.626 -0.148 -2.225 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.548 -1.471 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.827 -1.249 -1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.005 1.583 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.454 0.213 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.652 0.089 1.009 1.00 0.00 H new ATOM 1484 N GLU A 104 5.232 -2.693 0.338 1.00 0.00 N ATOM 1485 CA GLU A 104 6.227 -3.741 0.187 1.00 0.00 C ATOM 1486 C GLU A 104 6.173 -4.325 -1.227 1.00 0.00 C ATOM 1487 O GLU A 104 5.128 -4.805 -1.664 1.00 0.00 O ATOM 1488 CB GLU A 104 6.035 -4.835 1.239 1.00 0.00 C ATOM 1489 CG GLU A 104 6.753 -6.122 0.829 1.00 0.00 C ATOM 1490 CD GLU A 104 7.174 -6.930 2.059 1.00 0.00 C ATOM 1491 OE1 GLU A 104 6.345 -7.749 2.511 1.00 0.00 O ATOM 1492 OE2 GLU A 104 8.315 -6.711 2.518 1.00 0.00 O ATOM 0 H GLU A 104 4.356 -2.862 -0.156 1.00 0.00 H new ATOM 0 HA GLU A 104 7.213 -3.303 0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.417 -4.491 2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.972 -5.034 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.097 -6.724 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.631 -5.878 0.231 1.00 0.00 H new ATOM 1499 N PHE A 105 7.311 -4.263 -1.902 1.00 0.00 N ATOM 1500 CA PHE A 105 7.407 -4.779 -3.257 1.00 0.00 C ATOM 1501 C PHE A 105 8.487 -5.858 -3.358 1.00 0.00 C ATOM 1502 O PHE A 105 9.144 -6.178 -2.368 1.00 0.00 O ATOM 1503 CB PHE A 105 7.791 -3.603 -4.157 1.00 0.00 C ATOM 1504 CG PHE A 105 8.978 -2.787 -3.642 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.818 -1.947 -2.584 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.193 -2.901 -4.242 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.919 -1.189 -2.106 1.00 0.00 C ATOM 1508 CE2 PHE A 105 11.294 -2.143 -3.765 1.00 0.00 C ATOM 1509 CZ PHE A 105 11.135 -1.303 -2.707 1.00 0.00 C ATOM 0 H PHE A 105 8.175 -3.863 -1.536 1.00 0.00 H new ATOM 0 HA PHE A 105 6.458 -5.225 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.028 -3.982 -5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.929 -2.944 -4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.853 -1.857 -2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.320 -3.568 -5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.792 -0.522 -1.266 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.259 -2.233 -4.242 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.973 -0.727 -2.344 1.00 0.00 H new ATOM 1519 N ASP A 106 8.638 -6.388 -4.562 1.00 0.00 N ATOM 1520 CA ASP A 106 9.627 -7.424 -4.806 1.00 0.00 C ATOM 1521 C ASP A 106 10.819 -6.820 -5.550 1.00 0.00 C ATOM 1522 O ASP A 106 10.692 -5.776 -6.189 1.00 0.00 O ATOM 1523 CB ASP A 106 9.049 -8.546 -5.670 1.00 0.00 C ATOM 1524 CG ASP A 106 8.299 -8.079 -6.919 1.00 0.00 C ATOM 1525 OD1 ASP A 106 8.734 -7.058 -7.494 1.00 0.00 O ATOM 1526 OD2 ASP A 106 7.307 -8.753 -7.271 1.00 0.00 O ATOM 0 H ASP A 106 8.092 -6.119 -5.380 1.00 0.00 H new ATOM 0 HA ASP A 106 9.932 -7.832 -3.842 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.862 -9.203 -5.977 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.371 -9.142 -5.059 1.00 0.00 H new