USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 LYS NZ :NH3+ -168:sc= 0.0527 (180deg=0) USER MOD Set 1.2: A 55 THR OG1 : rot 73:sc= 0.773 USER MOD Single : A 12 ASN : amide:sc= -0.429 K(o=-0.43,f=-5.1!) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 1.22 (180deg=1.16) USER MOD Single : A 23 HIS : no HD1:sc= -0.625 X(o=-0.62,f=-0.34) USER MOD Single : A 24 SER OG : rot -67:sc= 1.27 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -158:sc= -0.265 (180deg=-0.765) USER MOD Single : A 28 ASN : amide:sc= 0.905 K(o=0.9,f=-0.38) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.98! C(o=-3!,f=-6!) USER MOD Single : A 37 LYS NZ :NH3+ -149:sc= 0.548 (180deg=-0.705!) USER MOD Single : A 42 MET CE :methyl -153:sc= -1.75 (180deg=-3.34!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 63:sc= -2.61! USER MOD Single : A 59 MET CE :methyl 148:sc= -1.47 (180deg=-3.68!) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.399 USER MOD Single : A 68 HIS : no HD1:sc= -0.0801 X(o=-0.08,f=0) USER MOD Single : A 70 THR OG1 : rot -46:sc= 0.703 USER MOD Single : A 71 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.7!) USER MOD Single : A 76 MET CE :methyl -162:sc= -0.115 (180deg=-0.687) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -134:sc= -0.222 (180deg=-1.14) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 1.739 -15.881 -0.211 1.00 75.32 N ATOM 165 CA PRO A 11 2.881 -15.393 0.567 1.00 70.15 C ATOM 166 C PRO A 11 2.473 -15.024 2.005 1.00 72.01 C ATOM 167 O PRO A 11 1.470 -14.336 2.216 1.00 31.12 O ATOM 168 CB PRO A 11 3.299 -14.149 -0.220 1.00 40.22 C ATOM 169 CG PRO A 11 2.012 -13.603 -0.756 1.00 4.25 C ATOM 170 CD PRO A 11 1.103 -14.792 -0.985 1.00 52.34 C ATOM 0 HA PRO A 11 3.674 -16.133 0.681 1.00 70.15 H new ATOM 0 HB2 PRO A 11 3.803 -13.424 0.419 1.00 40.22 H new ATOM 0 HB3 PRO A 11 3.990 -14.400 -1.024 1.00 40.22 H new ATOM 0 HG2 PRO A 11 1.564 -12.902 -0.051 1.00 4.25 H new ATOM 0 HG3 PRO A 11 2.179 -13.058 -1.685 1.00 4.25 H new ATOM 0 HD2 PRO A 11 0.090 -14.593 -0.636 1.00 52.34 H new ATOM 0 HD3 PRO A 11 1.032 -15.043 -2.043 1.00 52.34 H new ATOM 178 N ASN A 12 3.239 -15.481 2.990 1.00 4.31 N ATOM 179 CA ASN A 12 2.922 -15.206 4.400 1.00 43.14 C ATOM 180 C ASN A 12 2.969 -13.696 4.705 1.00 50.00 C ATOM 181 O ASN A 12 3.360 -12.893 3.852 1.00 2.13 O ATOM 182 CB ASN A 12 3.888 -15.955 5.328 1.00 52.04 C ATOM 183 CG ASN A 12 3.932 -17.450 5.056 1.00 10.11 C ATOM 184 OD1 ASN A 12 3.846 -17.896 3.916 1.00 15.14 O ATOM 185 ND2 ASN A 12 4.054 -18.238 6.102 1.00 13.21 N ATOM 0 H ASN A 12 4.080 -16.040 2.847 1.00 4.31 H new ATOM 0 HA ASN A 12 1.907 -15.559 4.581 1.00 43.14 H new ATOM 0 HB2 ASN A 12 4.889 -15.540 5.212 1.00 52.04 H new ATOM 0 HB3 ASN A 12 3.592 -15.788 6.364 1.00 52.04 H new ATOM 0 HD21 ASN A 12 4.079 -19.250 5.978 1.00 13.21 H new ATOM 0 HD22 ASN A 12 4.123 -17.837 7.037 1.00 13.21 H new ATOM 192 N GLU A 13 2.573 -13.320 5.922 1.00 33.15 N ATOM 193 CA GLU A 13 2.570 -11.911 6.352 1.00 73.14 C ATOM 194 C GLU A 13 3.906 -11.219 6.033 1.00 71.41 C ATOM 195 O GLU A 13 3.940 -10.168 5.392 1.00 30.24 O ATOM 196 CB GLU A 13 2.292 -11.828 7.861 1.00 21.53 C ATOM 197 CG GLU A 13 2.202 -10.405 8.403 1.00 14.33 C ATOM 198 CD GLU A 13 2.133 -10.365 9.922 1.00 40.44 C ATOM 199 OE1 GLU A 13 1.040 -10.601 10.479 1.00 70.03 O ATOM 200 OE2 GLU A 13 3.175 -10.111 10.565 1.00 40.21 O ATOM 0 H GLU A 13 2.247 -13.972 6.635 1.00 33.15 H new ATOM 0 HA GLU A 13 1.783 -11.395 5.802 1.00 73.14 H new ATOM 0 HB2 GLU A 13 1.358 -12.346 8.076 1.00 21.53 H new ATOM 0 HB3 GLU A 13 3.081 -12.359 8.394 1.00 21.53 H new ATOM 0 HG2 GLU A 13 3.068 -9.836 8.067 1.00 14.33 H new ATOM 0 HG3 GLU A 13 1.320 -9.917 7.989 1.00 14.33 H new ATOM 207 N GLU A 14 4.998 -11.837 6.471 1.00 33.33 N ATOM 208 CA GLU A 14 6.348 -11.300 6.258 1.00 61.54 C ATOM 209 C GLU A 14 6.674 -11.144 4.759 1.00 23.21 C ATOM 210 O GLU A 14 7.118 -10.085 4.317 1.00 41.04 O ATOM 211 CB GLU A 14 7.369 -12.228 6.935 1.00 5.03 C ATOM 212 CG GLU A 14 7.061 -12.495 8.409 1.00 24.34 C ATOM 213 CD GLU A 14 8.019 -13.486 9.056 1.00 21.34 C ATOM 214 OE1 GLU A 14 7.934 -14.693 8.744 1.00 73.34 O ATOM 215 OE2 GLU A 14 8.832 -13.071 9.907 1.00 40.42 O ATOM 0 H GLU A 14 4.979 -12.720 6.982 1.00 33.33 H new ATOM 0 HA GLU A 14 6.398 -10.305 6.701 1.00 61.54 H new ATOM 0 HB2 GLU A 14 7.398 -13.177 6.400 1.00 5.03 H new ATOM 0 HB3 GLU A 14 8.362 -11.786 6.853 1.00 5.03 H new ATOM 0 HG2 GLU A 14 7.099 -11.554 8.957 1.00 24.34 H new ATOM 0 HG3 GLU A 14 6.043 -12.874 8.497 1.00 24.34 H new ATOM 222 N ALA A 15 6.423 -12.201 3.983 1.00 63.31 N ATOM 223 CA ALA A 15 6.719 -12.208 2.542 1.00 34.32 C ATOM 224 C ALA A 15 5.936 -11.125 1.778 1.00 44.11 C ATOM 225 O ALA A 15 6.508 -10.369 0.990 1.00 21.11 O ATOM 226 CB ALA A 15 6.420 -13.583 1.957 1.00 3.02 C ATOM 0 H ALA A 15 6.013 -13.069 4.328 1.00 63.31 H new ATOM 0 HA ALA A 15 7.779 -11.981 2.426 1.00 34.32 H new ATOM 0 HB1 ALA A 15 6.642 -13.580 0.890 1.00 3.02 H new ATOM 0 HB2 ALA A 15 7.037 -14.332 2.454 1.00 3.02 H new ATOM 0 HB3 ALA A 15 5.367 -13.822 2.108 1.00 3.02 H new ATOM 232 N ARG A 16 4.622 -11.056 2.006 1.00 21.41 N ATOM 233 CA ARG A 16 3.783 -10.045 1.345 1.00 22.14 C ATOM 234 C ARG A 16 4.176 -8.630 1.798 1.00 21.03 C ATOM 235 O ARG A 16 4.091 -7.666 1.031 1.00 73.53 O ATOM 236 CB ARG A 16 2.292 -10.308 1.614 1.00 0.54 C ATOM 237 CG ARG A 16 1.875 -10.135 3.073 1.00 30.41 C ATOM 238 CD ARG A 16 0.421 -10.540 3.305 1.00 42.03 C ATOM 239 NE ARG A 16 0.201 -11.963 3.047 1.00 71.32 N ATOM 240 CZ ARG A 16 -0.946 -12.572 3.194 1.00 53.14 C ATOM 241 NH1 ARG A 16 -1.992 -11.927 3.595 1.00 35.44 N ATOM 242 NH2 ARG A 16 -1.036 -13.835 2.946 1.00 5.10 N ATOM 0 H ARG A 16 4.117 -11.680 2.636 1.00 21.41 H new ATOM 0 HA ARG A 16 3.951 -10.118 0.270 1.00 22.14 H new ATOM 0 HB2 ARG A 16 1.699 -9.633 0.997 1.00 0.54 H new ATOM 0 HB3 ARG A 16 2.052 -11.323 1.298 1.00 0.54 H new ATOM 0 HG2 ARG A 16 2.525 -10.736 3.709 1.00 30.41 H new ATOM 0 HG3 ARG A 16 2.013 -9.095 3.369 1.00 30.41 H new ATOM 0 HD2 ARG A 16 0.140 -10.310 4.333 1.00 42.03 H new ATOM 0 HD3 ARG A 16 -0.228 -9.950 2.658 1.00 42.03 H new ATOM 0 HE ARG A 16 0.997 -12.517 2.731 1.00 71.32 H new ATOM 0 HH11 ARG A 16 -1.929 -10.930 3.801 1.00 35.44 H new ATOM 0 HH12 ARG A 16 -2.881 -12.415 3.705 1.00 35.44 H new ATOM 0 HH21 ARG A 16 -0.214 -14.354 2.637 1.00 5.10 H new ATOM 0 HH22 ARG A 16 -1.929 -14.315 3.059 1.00 5.10 H new ATOM 256 N LEU A 17 4.610 -8.523 3.053 1.00 31.15 N ATOM 257 CA LEU A 17 5.110 -7.264 3.604 1.00 73.04 C ATOM 258 C LEU A 17 6.369 -6.790 2.853 1.00 40.23 C ATOM 259 O LEU A 17 6.533 -5.596 2.593 1.00 44.40 O ATOM 260 CB LEU A 17 5.402 -7.440 5.104 1.00 14.02 C ATOM 261 CG LEU A 17 6.011 -6.223 5.820 1.00 30.41 C ATOM 262 CD1 LEU A 17 5.159 -4.980 5.610 1.00 72.12 C ATOM 263 CD2 LEU A 17 6.192 -6.507 7.310 1.00 53.52 C ATOM 0 H LEU A 17 4.625 -9.301 3.713 1.00 31.15 H new ATOM 0 HA LEU A 17 4.346 -6.497 3.477 1.00 73.04 H new ATOM 0 HB2 LEU A 17 4.471 -7.704 5.606 1.00 14.02 H new ATOM 0 HB3 LEU A 17 6.080 -8.285 5.225 1.00 14.02 H new ATOM 0 HG LEU A 17 6.992 -6.035 5.384 1.00 30.41 H new ATOM 0 HD11 LEU A 17 5.614 -4.135 6.128 1.00 72.12 H new ATOM 0 HD12 LEU A 17 5.093 -4.760 4.544 1.00 72.12 H new ATOM 0 HD13 LEU A 17 4.159 -5.153 6.007 1.00 72.12 H new ATOM 0 HD21 LEU A 17 6.624 -5.633 7.797 1.00 53.52 H new ATOM 0 HD22 LEU A 17 5.224 -6.731 7.758 1.00 53.52 H new ATOM 0 HD23 LEU A 17 6.857 -7.361 7.439 1.00 53.52 H new ATOM 275 N ASP A 18 7.251 -7.730 2.499 1.00 52.24 N ATOM 276 CA ASP A 18 8.451 -7.411 1.710 1.00 41.40 C ATOM 277 C ASP A 18 8.096 -6.748 0.368 1.00 40.44 C ATOM 278 O ASP A 18 8.747 -5.789 -0.055 1.00 2.53 O ATOM 279 CB ASP A 18 9.289 -8.671 1.465 1.00 30.31 C ATOM 280 CG ASP A 18 10.030 -9.124 2.709 1.00 22.20 C ATOM 281 OD1 ASP A 18 10.743 -8.292 3.314 1.00 14.32 O ATOM 282 OD2 ASP A 18 9.921 -10.309 3.082 1.00 42.32 O ATOM 0 H ASP A 18 7.159 -8.716 2.744 1.00 52.24 H new ATOM 0 HA ASP A 18 9.037 -6.699 2.291 1.00 41.40 H new ATOM 0 HB2 ASP A 18 8.639 -9.475 1.120 1.00 30.31 H new ATOM 0 HB3 ASP A 18 10.007 -8.477 0.668 1.00 30.31 H new ATOM 287 N ILE A 19 7.062 -7.261 -0.294 1.00 10.04 N ATOM 288 CA ILE A 19 6.602 -6.694 -1.567 1.00 22.53 C ATOM 289 C ILE A 19 6.203 -5.218 -1.389 1.00 63.34 C ATOM 290 O ILE A 19 6.562 -4.357 -2.199 1.00 24.01 O ATOM 291 CB ILE A 19 5.391 -7.480 -2.131 1.00 15.33 C ATOM 292 CG1 ILE A 19 5.653 -8.996 -2.089 1.00 4.01 C ATOM 293 CG2 ILE A 19 5.082 -7.029 -3.561 1.00 2.05 C ATOM 294 CD1 ILE A 19 4.438 -9.830 -2.445 1.00 23.52 C ATOM 0 H ILE A 19 6.525 -8.067 0.026 1.00 10.04 H new ATOM 0 HA ILE A 19 7.430 -6.768 -2.272 1.00 22.53 H new ATOM 0 HB ILE A 19 4.525 -7.268 -1.504 1.00 15.33 H new ATOM 0 HG12 ILE A 19 6.463 -9.236 -2.778 1.00 4.01 H new ATOM 0 HG13 ILE A 19 5.992 -9.271 -1.090 1.00 4.01 H new ATOM 0 HG21 ILE A 19 4.229 -7.590 -3.943 1.00 2.05 H new ATOM 0 HG22 ILE A 19 4.847 -5.965 -3.564 1.00 2.05 H new ATOM 0 HG23 ILE A 19 5.950 -7.211 -4.195 1.00 2.05 H new ATOM 0 HD11 ILE A 19 4.696 -10.888 -2.395 1.00 23.52 H new ATOM 0 HD12 ILE A 19 3.633 -9.619 -1.741 1.00 23.52 H new ATOM 0 HD13 ILE A 19 4.111 -9.584 -3.455 1.00 23.52 H new ATOM 306 N LEU A 20 5.461 -4.940 -0.316 1.00 12.02 N ATOM 307 CA LEU A 20 5.056 -3.572 0.032 1.00 63.41 C ATOM 308 C LEU A 20 6.276 -2.663 0.253 1.00 42.32 C ATOM 309 O LEU A 20 6.322 -1.543 -0.260 1.00 23.33 O ATOM 310 CB LEU A 20 4.165 -3.597 1.286 1.00 50.13 C ATOM 311 CG LEU A 20 2.764 -4.202 1.074 1.00 74.02 C ATOM 312 CD1 LEU A 20 2.109 -4.574 2.403 1.00 53.11 C ATOM 313 CD2 LEU A 20 1.872 -3.231 0.295 1.00 54.53 C ATOM 0 H LEU A 20 5.124 -5.650 0.334 1.00 12.02 H new ATOM 0 HA LEU A 20 4.489 -3.160 -0.803 1.00 63.41 H new ATOM 0 HB2 LEU A 20 4.675 -4.163 2.065 1.00 50.13 H new ATOM 0 HB3 LEU A 20 4.053 -2.577 1.655 1.00 50.13 H new ATOM 0 HG LEU A 20 2.883 -5.116 0.492 1.00 74.02 H new ATOM 0 HD11 LEU A 20 1.122 -4.998 2.216 1.00 53.11 H new ATOM 0 HD12 LEU A 20 2.727 -5.308 2.920 1.00 53.11 H new ATOM 0 HD13 LEU A 20 2.010 -3.682 3.022 1.00 53.11 H new ATOM 0 HD21 LEU A 20 0.887 -3.675 0.155 1.00 54.53 H new ATOM 0 HD22 LEU A 20 1.774 -2.300 0.853 1.00 54.53 H new ATOM 0 HD23 LEU A 20 2.320 -3.026 -0.678 1.00 54.53 H new ATOM 325 N LYS A 21 7.267 -3.157 1.001 1.00 5.00 N ATOM 326 CA LYS A 21 8.511 -2.408 1.246 1.00 62.44 C ATOM 327 C LYS A 21 9.163 -1.949 -0.074 1.00 32.41 C ATOM 328 O LYS A 21 9.398 -0.761 -0.298 1.00 12.14 O ATOM 329 CB LYS A 21 9.530 -3.279 1.995 1.00 43.14 C ATOM 330 CG LYS A 21 9.061 -3.841 3.335 1.00 63.32 C ATOM 331 CD LYS A 21 10.068 -4.866 3.861 1.00 64.34 C ATOM 332 CE LYS A 21 9.618 -5.539 5.148 1.00 42.45 C ATOM 333 NZ LYS A 21 10.559 -6.615 5.558 1.00 34.50 N ATOM 0 H LYS A 21 7.235 -4.073 1.449 1.00 5.00 H new ATOM 0 HA LYS A 21 8.241 -1.538 1.844 1.00 62.44 H new ATOM 0 HB2 LYS A 21 9.812 -4.112 1.351 1.00 43.14 H new ATOM 0 HB3 LYS A 21 10.430 -2.689 2.164 1.00 43.14 H new ATOM 0 HG2 LYS A 21 8.945 -3.032 4.056 1.00 63.32 H new ATOM 0 HG3 LYS A 21 8.083 -4.308 3.219 1.00 63.32 H new ATOM 0 HD2 LYS A 21 10.234 -5.627 3.099 1.00 64.34 H new ATOM 0 HD3 LYS A 21 11.025 -4.372 4.032 1.00 64.34 H new ATOM 0 HE2 LYS A 21 9.545 -4.796 5.942 1.00 42.45 H new ATOM 0 HE3 LYS A 21 8.621 -5.958 5.011 1.00 42.45 H new ATOM 0 HZ1 LYS A 21 10.127 -7.184 6.314 1.00 34.50 H new ATOM 0 HZ2 LYS A 21 10.767 -7.224 4.741 1.00 34.50 H new ATOM 0 HZ3 LYS A 21 11.442 -6.190 5.906 1.00 34.50 H new ATOM 347 N ILE A 22 9.449 -2.920 -0.941 1.00 34.45 N ATOM 348 CA ILE A 22 10.191 -2.678 -2.184 1.00 44.24 C ATOM 349 C ILE A 22 9.456 -1.719 -3.140 1.00 13.41 C ATOM 350 O ILE A 22 10.071 -0.848 -3.754 1.00 52.52 O ATOM 351 CB ILE A 22 10.473 -4.015 -2.919 1.00 34.44 C ATOM 352 CG1 ILE A 22 11.250 -4.978 -2.002 1.00 34.41 C ATOM 353 CG2 ILE A 22 11.245 -3.766 -4.216 1.00 1.55 C ATOM 354 CD1 ILE A 22 11.514 -6.339 -2.617 1.00 60.31 C ATOM 0 H ILE A 22 9.176 -3.893 -0.805 1.00 34.45 H new ATOM 0 HA ILE A 22 11.129 -2.205 -1.894 1.00 44.24 H new ATOM 0 HB ILE A 22 9.519 -4.475 -3.174 1.00 34.44 H new ATOM 0 HG12 ILE A 22 12.203 -4.520 -1.736 1.00 34.41 H new ATOM 0 HG13 ILE A 22 10.691 -5.112 -1.076 1.00 34.41 H new ATOM 0 HG21 ILE A 22 11.433 -4.716 -4.716 1.00 1.55 H new ATOM 0 HG22 ILE A 22 10.658 -3.121 -4.870 1.00 1.55 H new ATOM 0 HG23 ILE A 22 12.195 -3.283 -3.987 1.00 1.55 H new ATOM 0 HD11 ILE A 22 12.065 -6.958 -1.909 1.00 60.31 H new ATOM 0 HD12 ILE A 22 10.566 -6.820 -2.857 1.00 60.31 H new ATOM 0 HD13 ILE A 22 12.101 -6.219 -3.528 1.00 60.31 H new ATOM 366 N HIS A 23 8.144 -1.873 -3.260 1.00 10.05 N ATOM 367 CA HIS A 23 7.370 -1.106 -4.244 1.00 21.21 C ATOM 368 C HIS A 23 7.021 0.323 -3.772 1.00 12.55 C ATOM 369 O HIS A 23 6.884 1.231 -4.595 1.00 41.34 O ATOM 370 CB HIS A 23 6.096 -1.877 -4.620 1.00 53.35 C ATOM 371 CG HIS A 23 6.357 -3.106 -5.446 1.00 72.01 C ATOM 372 ND1 HIS A 23 5.985 -3.211 -6.769 1.00 24.15 N ATOM 373 CD2 HIS A 23 6.958 -4.283 -5.137 1.00 54.12 C ATOM 374 CE1 HIS A 23 6.341 -4.391 -7.236 1.00 55.23 C ATOM 375 NE2 HIS A 23 6.931 -5.060 -6.269 1.00 23.04 N ATOM 0 H HIS A 23 7.590 -2.517 -2.695 1.00 10.05 H new ATOM 0 HA HIS A 23 8.005 -0.987 -5.122 1.00 21.21 H new ATOM 0 HB2 HIS A 23 5.574 -2.167 -3.708 1.00 53.35 H new ATOM 0 HB3 HIS A 23 5.430 -1.214 -5.171 1.00 53.35 H new ATOM 0 HD2 HIS A 23 7.378 -4.557 -4.181 1.00 54.12 H new ATOM 0 HE1 HIS A 23 6.176 -4.748 -8.242 1.00 55.23 H new ATOM 0 HE2 HIS A 23 7.308 -6.005 -6.347 1.00 23.04 H new ATOM 384 N SER A 24 6.887 0.535 -2.461 1.00 22.53 N ATOM 385 CA SER A 24 6.487 1.859 -1.930 1.00 5.42 C ATOM 386 C SER A 24 7.693 2.692 -1.464 1.00 35.23 C ATOM 387 O SER A 24 7.537 3.842 -1.043 1.00 13.21 O ATOM 388 CB SER A 24 5.505 1.690 -0.761 1.00 62.43 C ATOM 389 OG SER A 24 6.133 1.086 0.357 1.00 14.44 O ATOM 0 H SER A 24 7.045 -0.177 -1.748 1.00 22.53 H new ATOM 0 HA SER A 24 6.006 2.395 -2.748 1.00 5.42 H new ATOM 0 HB2 SER A 24 5.106 2.663 -0.475 1.00 62.43 H new ATOM 0 HB3 SER A 24 4.659 1.080 -1.079 1.00 62.43 H new ATOM 0 HG SER A 24 6.375 0.162 0.137 1.00 14.44 H new ATOM 395 N ARG A 25 8.892 2.121 -1.577 1.00 31.13 N ATOM 396 CA ARG A 25 10.127 2.730 -1.044 1.00 11.42 C ATOM 397 C ARG A 25 10.336 4.206 -1.460 1.00 24.02 C ATOM 398 O ARG A 25 10.935 4.985 -0.714 1.00 61.01 O ATOM 399 CB ARG A 25 11.344 1.900 -1.486 1.00 41.02 C ATOM 400 CG ARG A 25 11.532 1.847 -3.000 1.00 24.45 C ATOM 401 CD ARG A 25 12.659 0.903 -3.411 1.00 4.31 C ATOM 402 NE ARG A 25 13.962 1.318 -2.892 1.00 54.33 N ATOM 403 CZ ARG A 25 15.076 0.672 -3.112 1.00 62.13 C ATOM 404 NH1 ARG A 25 15.092 -0.385 -3.864 1.00 61.24 N ATOM 405 NH2 ARG A 25 16.185 1.099 -2.604 1.00 62.14 N ATOM 0 H ARG A 25 9.043 1.224 -2.039 1.00 31.13 H new ATOM 0 HA ARG A 25 10.021 2.728 0.041 1.00 11.42 H new ATOM 0 HB2 ARG A 25 12.242 2.318 -1.031 1.00 41.02 H new ATOM 0 HB3 ARG A 25 11.237 0.884 -1.106 1.00 41.02 H new ATOM 0 HG2 ARG A 25 10.602 1.525 -3.468 1.00 24.45 H new ATOM 0 HG3 ARG A 25 11.746 2.849 -3.373 1.00 24.45 H new ATOM 0 HD2 ARG A 25 12.434 -0.102 -3.054 1.00 4.31 H new ATOM 0 HD3 ARG A 25 12.706 0.852 -4.499 1.00 4.31 H new ATOM 0 HE ARG A 25 14.003 2.164 -2.323 1.00 54.33 H new ATOM 0 HH11 ARG A 25 14.228 -0.720 -4.291 1.00 61.24 H new ATOM 0 HH12 ARG A 25 15.968 -0.881 -4.028 1.00 61.24 H new ATOM 0 HH21 ARG A 25 16.192 1.942 -2.030 1.00 62.14 H new ATOM 0 HH22 ARG A 25 17.054 0.593 -2.777 1.00 62.14 H new ATOM 419 N LYS A 26 9.859 4.591 -2.646 1.00 70.15 N ATOM 420 CA LYS A 26 10.125 5.940 -3.181 1.00 72.22 C ATOM 421 C LYS A 26 9.033 6.968 -2.827 1.00 22.23 C ATOM 422 O LYS A 26 9.199 8.162 -3.088 1.00 0.01 O ATOM 423 CB LYS A 26 10.302 5.894 -4.707 1.00 63.33 C ATOM 424 CG LYS A 26 11.573 5.186 -5.163 1.00 54.04 C ATOM 425 CD LYS A 26 11.843 5.434 -6.645 1.00 15.23 C ATOM 426 CE LYS A 26 13.179 4.854 -7.093 1.00 61.31 C ATOM 427 NZ LYS A 26 13.544 5.312 -8.462 1.00 0.40 N ATOM 0 H LYS A 26 9.292 3.999 -3.253 1.00 70.15 H new ATOM 0 HA LYS A 26 11.047 6.270 -2.703 1.00 72.22 H new ATOM 0 HB2 LYS A 26 9.441 5.392 -5.147 1.00 63.33 H new ATOM 0 HB3 LYS A 26 10.308 6.913 -5.093 1.00 63.33 H new ATOM 0 HG2 LYS A 26 12.419 5.537 -4.573 1.00 54.04 H new ATOM 0 HG3 LYS A 26 11.481 4.115 -4.982 1.00 54.04 H new ATOM 0 HD2 LYS A 26 11.041 4.993 -7.237 1.00 15.23 H new ATOM 0 HD3 LYS A 26 11.831 6.506 -6.840 1.00 15.23 H new ATOM 0 HE2 LYS A 26 13.958 5.149 -6.390 1.00 61.31 H new ATOM 0 HE3 LYS A 26 13.128 3.765 -7.074 1.00 61.31 H new ATOM 0 HZ1 LYS A 26 14.458 4.898 -8.734 1.00 0.40 H new ATOM 0 HZ2 LYS A 26 12.812 5.009 -9.136 1.00 0.40 H new ATOM 0 HZ3 LYS A 26 13.617 6.349 -8.473 1.00 0.40 H new ATOM 441 N MET A 27 7.927 6.525 -2.237 1.00 25.03 N ATOM 442 CA MET A 27 6.817 7.435 -1.925 1.00 51.41 C ATOM 443 C MET A 27 6.990 8.087 -0.543 1.00 43.32 C ATOM 444 O MET A 27 7.582 7.501 0.363 1.00 30.33 O ATOM 445 CB MET A 27 5.473 6.697 -2.002 1.00 50.40 C ATOM 446 CG MET A 27 5.170 6.120 -3.380 1.00 21.52 C ATOM 447 SD MET A 27 3.459 5.565 -3.550 1.00 14.42 S ATOM 448 CE MET A 27 3.347 4.346 -2.242 1.00 20.30 C ATOM 0 H MET A 27 7.771 5.554 -1.966 1.00 25.03 H new ATOM 0 HA MET A 27 6.826 8.229 -2.672 1.00 51.41 H new ATOM 0 HB2 MET A 27 5.470 5.889 -1.271 1.00 50.40 H new ATOM 0 HB3 MET A 27 4.675 7.384 -1.722 1.00 50.40 H new ATOM 0 HG2 MET A 27 5.379 6.875 -4.138 1.00 21.52 H new ATOM 0 HG3 MET A 27 5.839 5.281 -3.572 1.00 21.52 H new ATOM 0 HE1 MET A 27 2.529 3.658 -2.455 1.00 20.30 H new ATOM 0 HE2 MET A 27 4.283 3.790 -2.182 1.00 20.30 H new ATOM 0 HE3 MET A 27 3.161 4.847 -1.292 1.00 20.30 H new ATOM 458 N ASN A 28 6.475 9.308 -0.393 1.00 53.12 N ATOM 459 CA ASN A 28 6.567 10.040 0.877 1.00 21.54 C ATOM 460 C ASN A 28 5.673 9.399 1.953 1.00 61.32 C ATOM 461 O ASN A 28 4.618 9.930 2.290 1.00 31.41 O ATOM 462 CB ASN A 28 6.164 11.509 0.683 1.00 50.24 C ATOM 463 CG ASN A 28 6.999 12.223 -0.363 1.00 14.33 C ATOM 464 OD1 ASN A 28 8.165 11.909 -0.577 1.00 73.42 O ATOM 465 ND2 ASN A 28 6.406 13.201 -1.019 1.00 30.34 N ATOM 0 H ASN A 28 5.989 9.814 -1.134 1.00 53.12 H new ATOM 0 HA ASN A 28 7.604 9.992 1.211 1.00 21.54 H new ATOM 0 HB2 ASN A 28 5.114 11.556 0.395 1.00 50.24 H new ATOM 0 HB3 ASN A 28 6.258 12.034 1.634 1.00 50.24 H new ATOM 0 HD21 ASN A 28 6.919 13.723 -1.730 1.00 30.34 H new ATOM 0 HD22 ASN A 28 5.434 13.436 -0.816 1.00 30.34 H new ATOM 472 N LEU A 29 6.094 8.253 2.473 1.00 50.21 N ATOM 473 CA LEU A 29 5.307 7.517 3.468 1.00 52.23 C ATOM 474 C LEU A 29 5.350 8.207 4.840 1.00 4.40 C ATOM 475 O LEU A 29 6.404 8.673 5.277 1.00 54.11 O ATOM 476 CB LEU A 29 5.825 6.075 3.594 1.00 54.34 C ATOM 477 CG LEU A 29 5.918 5.292 2.271 1.00 53.33 C ATOM 478 CD1 LEU A 29 6.334 3.845 2.521 1.00 45.32 C ATOM 479 CD2 LEU A 29 4.597 5.354 1.508 1.00 32.30 C ATOM 0 H LEU A 29 6.978 7.808 2.225 1.00 50.21 H new ATOM 0 HA LEU A 29 4.272 7.502 3.127 1.00 52.23 H new ATOM 0 HB2 LEU A 29 6.813 6.100 4.053 1.00 54.34 H new ATOM 0 HB3 LEU A 29 5.171 5.530 4.275 1.00 54.34 H new ATOM 0 HG LEU A 29 6.686 5.761 1.656 1.00 53.33 H new ATOM 0 HD11 LEU A 29 6.392 3.314 1.571 1.00 45.32 H new ATOM 0 HD12 LEU A 29 7.309 3.826 3.008 1.00 45.32 H new ATOM 0 HD13 LEU A 29 5.598 3.361 3.163 1.00 45.32 H new ATOM 0 HD21 LEU A 29 4.688 4.794 0.577 1.00 32.30 H new ATOM 0 HD22 LEU A 29 3.804 4.920 2.117 1.00 32.30 H new ATOM 0 HD23 LEU A 29 4.355 6.393 1.284 1.00 32.30 H new ATOM 491 N THR A 30 4.201 8.283 5.511 1.00 51.52 N ATOM 492 CA THR A 30 4.138 8.861 6.861 1.00 14.35 C ATOM 493 C THR A 30 5.022 8.076 7.841 1.00 31.42 C ATOM 494 O THR A 30 5.020 6.844 7.847 1.00 35.14 O ATOM 495 CB THR A 30 2.688 8.908 7.410 1.00 33.34 C ATOM 496 OG1 THR A 30 2.671 9.526 8.711 1.00 41.54 O ATOM 497 CG2 THR A 30 2.076 7.514 7.499 1.00 13.35 C ATOM 0 H THR A 30 3.305 7.955 5.149 1.00 51.52 H new ATOM 0 HA THR A 30 4.508 9.883 6.775 1.00 14.35 H new ATOM 0 HB THR A 30 2.091 9.498 6.715 1.00 33.34 H new ATOM 0 HG1 THR A 30 1.751 9.553 9.048 1.00 41.54 H new ATOM 0 HG21 THR A 30 1.060 7.587 7.888 1.00 13.35 H new ATOM 0 HG22 THR A 30 2.054 7.062 6.507 1.00 13.35 H new ATOM 0 HG23 THR A 30 2.676 6.895 8.166 1.00 13.35 H new ATOM 505 N ARG A 31 5.784 8.790 8.661 1.00 34.14 N ATOM 506 CA ARG A 31 6.704 8.147 9.603 1.00 71.24 C ATOM 507 C ARG A 31 5.940 7.355 10.677 1.00 10.35 C ATOM 508 O ARG A 31 4.972 7.848 11.262 1.00 63.15 O ATOM 509 CB ARG A 31 7.625 9.193 10.251 1.00 41.54 C ATOM 510 CG ARG A 31 8.457 9.978 9.236 1.00 75.11 C ATOM 511 CD ARG A 31 9.482 10.882 9.913 1.00 41.41 C ATOM 512 NE ARG A 31 10.433 10.115 10.719 1.00 4.10 N ATOM 513 CZ ARG A 31 11.674 9.889 10.375 1.00 63.33 C ATOM 514 NH1 ARG A 31 12.144 10.346 9.260 1.00 45.31 N ATOM 515 NH2 ARG A 31 12.439 9.197 11.150 1.00 50.53 N ATOM 0 H ARG A 31 5.786 9.809 8.696 1.00 34.14 H new ATOM 0 HA ARG A 31 7.318 7.440 9.045 1.00 71.24 H new ATOM 0 HB2 ARG A 31 7.020 9.890 10.831 1.00 41.54 H new ATOM 0 HB3 ARG A 31 8.295 8.693 10.951 1.00 41.54 H new ATOM 0 HG2 ARG A 31 8.970 9.282 8.572 1.00 75.11 H new ATOM 0 HG3 ARG A 31 7.795 10.582 8.615 1.00 75.11 H new ATOM 0 HD2 ARG A 31 10.022 11.450 9.156 1.00 41.41 H new ATOM 0 HD3 ARG A 31 8.968 11.604 10.547 1.00 41.41 H new ATOM 0 HE ARG A 31 10.107 9.732 11.606 1.00 4.10 H new ATOM 0 HH11 ARG A 31 11.545 10.889 8.638 1.00 45.31 H new ATOM 0 HH12 ARG A 31 13.114 10.163 9.002 1.00 45.31 H new ATOM 0 HH21 ARG A 31 12.075 8.828 12.028 1.00 50.53 H new ATOM 0 HH22 ARG A 31 13.408 9.019 10.884 1.00 50.53 H new ATOM 529 N GLY A 32 6.382 6.124 10.930 1.00 32.25 N ATOM 530 CA GLY A 32 5.686 5.248 11.871 1.00 35.10 C ATOM 531 C GLY A 32 4.491 4.524 11.249 1.00 31.12 C ATOM 532 O GLY A 32 3.601 4.054 11.960 1.00 13.11 O ATOM 0 H GLY A 32 7.211 5.713 10.501 1.00 32.25 H new ATOM 0 HA2 GLY A 32 6.389 4.510 12.258 1.00 35.10 H new ATOM 0 HA3 GLY A 32 5.343 5.838 12.721 1.00 35.10 H new ATOM 536 N ILE A 33 4.465 4.442 9.917 1.00 52.45 N ATOM 537 CA ILE A 33 3.387 3.746 9.201 1.00 1.35 C ATOM 538 C ILE A 33 3.485 2.214 9.376 1.00 4.03 C ATOM 539 O ILE A 33 4.534 1.611 9.125 1.00 2.43 O ATOM 540 CB ILE A 33 3.402 4.106 7.689 1.00 53.23 C ATOM 541 CG1 ILE A 33 2.238 3.424 6.951 1.00 52.12 C ATOM 542 CG2 ILE A 33 4.743 3.734 7.055 1.00 61.41 C ATOM 543 CD1 ILE A 33 2.157 3.768 5.476 1.00 63.43 C ATOM 0 H ILE A 33 5.177 4.848 9.310 1.00 52.45 H new ATOM 0 HA ILE A 33 2.445 4.080 9.636 1.00 1.35 H new ATOM 0 HB ILE A 33 3.272 5.184 7.597 1.00 53.23 H new ATOM 0 HG12 ILE A 33 2.337 2.344 7.057 1.00 52.12 H new ATOM 0 HG13 ILE A 33 1.301 3.706 7.431 1.00 52.12 H new ATOM 0 HG21 ILE A 33 4.730 3.995 5.997 1.00 61.41 H new ATOM 0 HG22 ILE A 33 5.545 4.279 7.553 1.00 61.41 H new ATOM 0 HG23 ILE A 33 4.911 2.662 7.162 1.00 61.41 H new ATOM 0 HD11 ILE A 33 1.311 3.248 5.027 1.00 63.43 H new ATOM 0 HD12 ILE A 33 2.025 4.844 5.360 1.00 63.43 H new ATOM 0 HD13 ILE A 33 3.077 3.460 4.979 1.00 63.43 H new ATOM 555 N ASN A 34 2.391 1.586 9.812 1.00 61.53 N ATOM 556 CA ASN A 34 2.369 0.133 10.017 1.00 72.31 C ATOM 557 C ASN A 34 1.884 -0.599 8.757 1.00 75.51 C ATOM 558 O ASN A 34 0.683 -0.755 8.532 1.00 13.13 O ATOM 559 CB ASN A 34 1.480 -0.239 11.213 1.00 43.25 C ATOM 560 CG ASN A 34 1.470 -1.737 11.482 1.00 31.10 C ATOM 561 OD1 ASN A 34 2.431 -2.441 11.189 1.00 73.14 O ATOM 562 ND2 ASN A 34 0.384 -2.237 12.036 1.00 71.41 N ATOM 0 H ASN A 34 1.512 2.056 10.029 1.00 61.53 H new ATOM 0 HA ASN A 34 3.391 -0.182 10.228 1.00 72.31 H new ATOM 0 HB2 ASN A 34 1.832 0.285 12.101 1.00 43.25 H new ATOM 0 HB3 ASN A 34 0.462 0.101 11.025 1.00 43.25 H new ATOM 0 HD21 ASN A 34 0.326 -3.236 12.233 1.00 71.41 H new ATOM 0 HD22 ASN A 34 -0.398 -1.625 12.268 1.00 71.41 H new ATOM 569 N LEU A 35 2.832 -1.047 7.938 1.00 0.33 N ATOM 570 CA LEU A 35 2.509 -1.776 6.707 1.00 64.11 C ATOM 571 C LEU A 35 1.951 -3.182 7.002 1.00 31.41 C ATOM 572 O LEU A 35 1.296 -3.787 6.153 1.00 61.54 O ATOM 573 CB LEU A 35 3.750 -1.871 5.805 1.00 12.22 C ATOM 574 CG LEU A 35 4.317 -0.524 5.320 1.00 45.13 C ATOM 575 CD1 LEU A 35 5.578 -0.734 4.481 1.00 71.42 C ATOM 576 CD2 LEU A 35 3.263 0.254 4.533 1.00 52.24 C ATOM 0 H LEU A 35 3.831 -0.920 8.101 1.00 0.33 H new ATOM 0 HA LEU A 35 1.730 -1.218 6.188 1.00 64.11 H new ATOM 0 HB2 LEU A 35 4.533 -2.402 6.347 1.00 12.22 H new ATOM 0 HB3 LEU A 35 3.500 -2.476 4.933 1.00 12.22 H new ATOM 0 HG LEU A 35 4.590 0.065 6.196 1.00 45.13 H new ATOM 0 HD11 LEU A 35 5.960 0.232 4.150 1.00 71.42 H new ATOM 0 HD12 LEU A 35 6.335 -1.237 5.082 1.00 71.42 H new ATOM 0 HD13 LEU A 35 5.339 -1.347 3.612 1.00 71.42 H new ATOM 0 HD21 LEU A 35 3.684 1.202 4.200 1.00 52.24 H new ATOM 0 HD22 LEU A 35 2.952 -0.329 3.666 1.00 52.24 H new ATOM 0 HD23 LEU A 35 2.400 0.445 5.171 1.00 52.24 H new ATOM 588 N ARG A 36 2.206 -3.697 8.209 1.00 74.12 N ATOM 589 CA ARG A 36 1.665 -5.004 8.618 1.00 11.40 C ATOM 590 C ARG A 36 0.129 -4.983 8.655 1.00 14.43 C ATOM 591 O ARG A 36 -0.523 -5.871 8.112 1.00 65.51 O ATOM 592 CB ARG A 36 2.210 -5.419 9.993 1.00 62.11 C ATOM 593 CG ARG A 36 1.548 -6.675 10.557 1.00 33.15 C ATOM 594 CD ARG A 36 2.088 -7.047 11.932 1.00 5.02 C ATOM 595 NE ARG A 36 1.297 -8.108 12.556 1.00 31.44 N ATOM 596 CZ ARG A 36 1.750 -8.930 13.467 1.00 12.55 C ATOM 597 NH1 ARG A 36 2.993 -8.892 13.834 1.00 15.30 N ATOM 598 NH2 ARG A 36 0.955 -9.804 13.995 1.00 71.21 N ATOM 0 H ARG A 36 2.778 -3.236 8.917 1.00 74.12 H new ATOM 0 HA ARG A 36 1.986 -5.735 7.876 1.00 11.40 H new ATOM 0 HB2 ARG A 36 3.284 -5.588 9.913 1.00 62.11 H new ATOM 0 HB3 ARG A 36 2.068 -4.597 10.694 1.00 62.11 H new ATOM 0 HG2 ARG A 36 0.472 -6.517 10.623 1.00 33.15 H new ATOM 0 HG3 ARG A 36 1.707 -7.506 9.870 1.00 33.15 H new ATOM 0 HD2 ARG A 36 3.124 -7.372 11.840 1.00 5.02 H new ATOM 0 HD3 ARG A 36 2.086 -6.166 12.574 1.00 5.02 H new ATOM 0 HE ARG A 36 0.326 -8.214 12.261 1.00 31.44 H new ATOM 0 HH11 ARG A 36 3.629 -8.216 13.411 1.00 15.30 H new ATOM 0 HH12 ARG A 36 3.335 -9.538 14.545 1.00 15.30 H new ATOM 0 HH21 ARG A 36 -0.020 -9.850 13.700 1.00 71.21 H new ATOM 0 HH22 ARG A 36 1.304 -10.447 14.706 1.00 71.21 H new ATOM 612 N LYS A 37 -0.438 -3.955 9.292 1.00 4.43 N ATOM 613 CA LYS A 37 -1.894 -3.795 9.374 1.00 21.30 C ATOM 614 C LYS A 37 -2.515 -3.821 7.972 1.00 11.04 C ATOM 615 O LYS A 37 -3.566 -4.418 7.754 1.00 51.11 O ATOM 616 CB LYS A 37 -2.222 -2.478 10.107 1.00 1.43 C ATOM 617 CG LYS A 37 -3.683 -2.306 10.529 1.00 34.14 C ATOM 618 CD LYS A 37 -4.545 -1.690 9.427 1.00 40.13 C ATOM 619 CE LYS A 37 -5.874 -1.191 9.983 1.00 31.52 C ATOM 620 NZ LYS A 37 -6.721 -0.544 8.945 1.00 51.15 N ATOM 0 H LYS A 37 0.090 -3.219 9.760 1.00 4.43 H new ATOM 0 HA LYS A 37 -2.321 -4.624 9.938 1.00 21.30 H new ATOM 0 HB2 LYS A 37 -1.595 -2.411 10.996 1.00 1.43 H new ATOM 0 HB3 LYS A 37 -1.948 -1.644 9.460 1.00 1.43 H new ATOM 0 HG2 LYS A 37 -4.094 -3.277 10.806 1.00 34.14 H new ATOM 0 HG3 LYS A 37 -3.729 -1.675 11.417 1.00 34.14 H new ATOM 0 HD2 LYS A 37 -4.009 -0.863 8.961 1.00 40.13 H new ATOM 0 HD3 LYS A 37 -4.728 -2.430 8.648 1.00 40.13 H new ATOM 0 HE2 LYS A 37 -6.418 -2.028 10.421 1.00 31.52 H new ATOM 0 HE3 LYS A 37 -5.683 -0.480 10.787 1.00 31.52 H new ATOM 0 HZ1 LYS A 37 -7.301 0.199 9.384 1.00 51.15 H new ATOM 0 HZ2 LYS A 37 -6.113 -0.122 8.214 1.00 51.15 H new ATOM 0 HZ3 LYS A 37 -7.342 -1.256 8.510 1.00 51.15 H new ATOM 634 N ILE A 38 -1.831 -3.188 7.024 1.00 34.14 N ATOM 635 CA ILE A 38 -2.249 -3.193 5.620 1.00 71.10 C ATOM 636 C ILE A 38 -2.128 -4.601 5.005 1.00 25.44 C ATOM 637 O ILE A 38 -3.034 -5.074 4.318 1.00 35.13 O ATOM 638 CB ILE A 38 -1.394 -2.203 4.788 1.00 32.32 C ATOM 639 CG1 ILE A 38 -1.398 -0.809 5.439 1.00 11.52 C ATOM 640 CG2 ILE A 38 -1.897 -2.131 3.345 1.00 55.44 C ATOM 641 CD1 ILE A 38 -2.778 -0.207 5.598 1.00 55.54 C ATOM 0 H ILE A 38 -0.977 -2.660 7.202 1.00 34.14 H new ATOM 0 HA ILE A 38 -3.294 -2.883 5.594 1.00 71.10 H new ATOM 0 HB ILE A 38 -0.367 -2.569 4.769 1.00 32.32 H new ATOM 0 HG12 ILE A 38 -0.927 -0.876 6.420 1.00 11.52 H new ATOM 0 HG13 ILE A 38 -0.787 -0.137 4.837 1.00 11.52 H new ATOM 0 HG21 ILE A 38 -1.282 -1.430 2.780 1.00 55.44 H new ATOM 0 HG22 ILE A 38 -1.835 -3.119 2.888 1.00 55.44 H new ATOM 0 HG23 ILE A 38 -2.933 -1.793 3.337 1.00 55.44 H new ATOM 0 HD11 ILE A 38 -2.695 0.775 6.064 1.00 55.54 H new ATOM 0 HD12 ILE A 38 -3.246 -0.105 4.619 1.00 55.54 H new ATOM 0 HD13 ILE A 38 -3.388 -0.856 6.226 1.00 55.54 H new ATOM 653 N ALA A 39 -1.003 -5.265 5.271 1.00 54.02 N ATOM 654 CA ALA A 39 -0.746 -6.616 4.755 1.00 1.33 C ATOM 655 C ALA A 39 -1.774 -7.635 5.273 1.00 44.52 C ATOM 656 O ALA A 39 -2.169 -8.555 4.552 1.00 64.03 O ATOM 657 CB ALA A 39 0.666 -7.056 5.127 1.00 62.30 C ATOM 0 H ALA A 39 -0.248 -4.889 5.845 1.00 54.02 H new ATOM 0 HA ALA A 39 -0.842 -6.579 3.670 1.00 1.33 H new ATOM 0 HB1 ALA A 39 0.848 -8.059 4.741 1.00 62.30 H new ATOM 0 HB2 ALA A 39 1.389 -6.364 4.695 1.00 62.30 H new ATOM 0 HB3 ALA A 39 0.772 -7.060 6.212 1.00 62.30 H new ATOM 663 N GLU A 40 -2.205 -7.464 6.523 1.00 0.54 N ATOM 664 CA GLU A 40 -3.208 -8.350 7.128 1.00 22.14 C ATOM 665 C GLU A 40 -4.604 -8.130 6.518 1.00 23.25 C ATOM 666 O GLU A 40 -5.489 -8.976 6.645 1.00 63.23 O ATOM 667 CB GLU A 40 -3.254 -8.147 8.652 1.00 12.03 C ATOM 668 CG GLU A 40 -1.942 -8.483 9.358 1.00 32.54 C ATOM 669 CD GLU A 40 -2.079 -8.525 10.873 1.00 2.03 C ATOM 670 OE1 GLU A 40 -2.651 -9.510 11.393 1.00 53.44 O ATOM 671 OE2 GLU A 40 -1.617 -7.583 11.555 1.00 54.31 O ATOM 0 H GLU A 40 -1.877 -6.720 7.139 1.00 0.54 H new ATOM 0 HA GLU A 40 -2.911 -9.377 6.915 1.00 22.14 H new ATOM 0 HB2 GLU A 40 -3.514 -7.110 8.863 1.00 12.03 H new ATOM 0 HB3 GLU A 40 -4.049 -8.766 9.068 1.00 12.03 H new ATOM 0 HG2 GLU A 40 -1.582 -9.449 9.004 1.00 32.54 H new ATOM 0 HG3 GLU A 40 -1.189 -7.743 9.087 1.00 32.54 H new ATOM 678 N LEU A 41 -4.795 -6.988 5.856 1.00 53.33 N ATOM 679 CA LEU A 41 -6.059 -6.688 5.166 1.00 4.43 C ATOM 680 C LEU A 41 -6.125 -7.374 3.793 1.00 55.33 C ATOM 681 O LEU A 41 -7.175 -7.398 3.150 1.00 74.55 O ATOM 682 CB LEU A 41 -6.230 -5.171 4.994 1.00 43.34 C ATOM 683 CG LEU A 41 -6.258 -4.360 6.299 1.00 2.42 C ATOM 684 CD1 LEU A 41 -6.431 -2.872 6.011 1.00 63.13 C ATOM 685 CD2 LEU A 41 -7.359 -4.862 7.227 1.00 64.43 C ATOM 0 H LEU A 41 -4.092 -6.252 5.781 1.00 53.33 H new ATOM 0 HA LEU A 41 -6.870 -7.075 5.783 1.00 4.43 H new ATOM 0 HB2 LEU A 41 -5.416 -4.799 4.372 1.00 43.34 H new ATOM 0 HB3 LEU A 41 -7.157 -4.986 4.451 1.00 43.34 H new ATOM 0 HG LEU A 41 -5.301 -4.499 6.802 1.00 2.42 H new ATOM 0 HD11 LEU A 41 -6.448 -2.319 6.950 1.00 63.13 H new ATOM 0 HD12 LEU A 41 -5.601 -2.521 5.398 1.00 63.13 H new ATOM 0 HD13 LEU A 41 -7.368 -2.711 5.478 1.00 63.13 H new ATOM 0 HD21 LEU A 41 -7.359 -4.273 8.144 1.00 64.43 H new ATOM 0 HD22 LEU A 41 -8.325 -4.763 6.732 1.00 64.43 H new ATOM 0 HD23 LEU A 41 -7.181 -5.910 7.469 1.00 64.43 H new ATOM 697 N MET A 42 -4.994 -7.934 3.360 1.00 3.22 N ATOM 698 CA MET A 42 -4.879 -8.586 2.048 1.00 44.23 C ATOM 699 C MET A 42 -4.920 -10.123 2.178 1.00 3.24 C ATOM 700 O MET A 42 -3.883 -10.753 2.376 1.00 52.10 O ATOM 701 CB MET A 42 -3.557 -8.159 1.389 1.00 70.43 C ATOM 702 CG MET A 42 -3.416 -6.654 1.196 1.00 14.20 C ATOM 703 SD MET A 42 -4.358 -6.038 -0.211 1.00 32.43 S ATOM 704 CE MET A 42 -3.453 -6.784 -1.563 1.00 50.02 C ATOM 0 H MET A 42 -4.132 -7.950 3.905 1.00 3.22 H new ATOM 0 HA MET A 42 -5.725 -8.278 1.433 1.00 44.23 H new ATOM 0 HB2 MET A 42 -2.727 -8.516 1.999 1.00 70.43 H new ATOM 0 HB3 MET A 42 -3.472 -8.648 0.419 1.00 70.43 H new ATOM 0 HG2 MET A 42 -3.747 -6.144 2.100 1.00 14.20 H new ATOM 0 HG3 MET A 42 -2.363 -6.407 1.058 1.00 14.20 H new ATOM 0 HE1 MET A 42 -3.565 -6.171 -2.458 1.00 50.02 H new ATOM 0 HE2 MET A 42 -2.397 -6.853 -1.300 1.00 50.02 H new ATOM 0 HE3 MET A 42 -3.845 -7.783 -1.756 1.00 50.02 H new ATOM 714 N PRO A 43 -6.115 -10.750 2.084 1.00 34.43 N ATOM 715 CA PRO A 43 -6.251 -12.214 2.242 1.00 55.04 C ATOM 716 C PRO A 43 -5.579 -13.030 1.110 1.00 63.24 C ATOM 717 O PRO A 43 -4.446 -13.499 1.257 1.00 1.24 O ATOM 718 CB PRO A 43 -7.776 -12.427 2.263 1.00 33.43 C ATOM 719 CG PRO A 43 -8.342 -11.243 1.549 1.00 72.41 C ATOM 720 CD PRO A 43 -7.417 -10.093 1.848 1.00 41.40 C ATOM 0 HA PRO A 43 -5.745 -12.568 3.140 1.00 55.04 H new ATOM 0 HB2 PRO A 43 -8.051 -13.357 1.765 1.00 33.43 H new ATOM 0 HB3 PRO A 43 -8.152 -12.489 3.284 1.00 33.43 H new ATOM 0 HG2 PRO A 43 -8.401 -11.427 0.476 1.00 72.41 H new ATOM 0 HG3 PRO A 43 -9.354 -11.028 1.892 1.00 72.41 H new ATOM 0 HD2 PRO A 43 -7.367 -9.391 1.016 1.00 41.40 H new ATOM 0 HD3 PRO A 43 -7.746 -9.530 2.721 1.00 41.40 H new ATOM 728 N GLY A 44 -6.272 -13.192 -0.020 1.00 14.34 N ATOM 729 CA GLY A 44 -5.730 -13.969 -1.136 1.00 23.04 C ATOM 730 C GLY A 44 -4.896 -13.129 -2.094 1.00 63.54 C ATOM 731 O GLY A 44 -5.115 -13.144 -3.306 1.00 43.32 O ATOM 0 H GLY A 44 -7.199 -12.800 -0.185 1.00 14.34 H new ATOM 0 HA2 GLY A 44 -5.116 -14.780 -0.743 1.00 23.04 H new ATOM 0 HA3 GLY A 44 -6.552 -14.429 -1.685 1.00 23.04 H new ATOM 735 N ALA A 45 -3.922 -12.410 -1.548 1.00 23.33 N ATOM 736 CA ALA A 45 -3.091 -11.498 -2.341 1.00 61.41 C ATOM 737 C ALA A 45 -1.797 -12.163 -2.834 1.00 52.31 C ATOM 738 O ALA A 45 -1.322 -13.143 -2.256 1.00 31.41 O ATOM 739 CB ALA A 45 -2.757 -10.260 -1.520 1.00 12.22 C ATOM 0 H ALA A 45 -3.684 -12.438 -0.557 1.00 23.33 H new ATOM 0 HA ALA A 45 -3.666 -11.217 -3.223 1.00 61.41 H new ATOM 0 HB1 ALA A 45 -2.140 -9.586 -2.113 1.00 12.22 H new ATOM 0 HB2 ALA A 45 -3.679 -9.752 -1.236 1.00 12.22 H new ATOM 0 HB3 ALA A 45 -2.213 -10.554 -0.622 1.00 12.22 H new ATOM 745 N SER A 46 -1.240 -11.626 -3.915 1.00 21.12 N ATOM 746 CA SER A 46 0.068 -12.057 -4.429 1.00 2.22 C ATOM 747 C SER A 46 0.828 -10.853 -5.012 1.00 63.13 C ATOM 748 O SER A 46 0.472 -9.704 -4.743 1.00 54.12 O ATOM 749 CB SER A 46 -0.104 -13.152 -5.494 1.00 61.25 C ATOM 750 OG SER A 46 -0.755 -14.298 -4.961 1.00 73.43 O ATOM 0 H SER A 46 -1.675 -10.883 -4.462 1.00 21.12 H new ATOM 0 HA SER A 46 0.648 -12.472 -3.604 1.00 2.22 H new ATOM 0 HB2 SER A 46 -0.682 -12.760 -6.331 1.00 61.25 H new ATOM 0 HB3 SER A 46 0.872 -13.436 -5.886 1.00 61.25 H new ATOM 0 HG SER A 46 -0.851 -14.976 -5.663 1.00 73.43 H new ATOM 756 N GLY A 47 1.865 -11.114 -5.814 1.00 65.33 N ATOM 757 CA GLY A 47 2.685 -10.036 -6.371 1.00 51.10 C ATOM 758 C GLY A 47 1.874 -8.967 -7.106 1.00 35.05 C ATOM 759 O GLY A 47 2.032 -7.771 -6.846 1.00 13.34 O ATOM 0 H GLY A 47 2.154 -12.053 -6.089 1.00 65.33 H new ATOM 0 HA2 GLY A 47 3.246 -9.564 -5.565 1.00 51.10 H new ATOM 0 HA3 GLY A 47 3.414 -10.464 -7.059 1.00 51.10 H new ATOM 763 N ALA A 48 0.997 -9.396 -8.014 1.00 54.25 N ATOM 764 CA ALA A 48 0.172 -8.469 -8.802 1.00 4.40 C ATOM 765 C ALA A 48 -0.770 -7.635 -7.912 1.00 14.22 C ATOM 766 O ALA A 48 -0.918 -6.425 -8.101 1.00 32.05 O ATOM 767 CB ALA A 48 -0.632 -9.242 -9.844 1.00 43.30 C ATOM 0 H ALA A 48 0.837 -10.381 -8.225 1.00 54.25 H new ATOM 0 HA ALA A 48 0.845 -7.774 -9.305 1.00 4.40 H new ATOM 0 HB1 ALA A 48 -1.240 -8.547 -10.423 1.00 43.30 H new ATOM 0 HB2 ALA A 48 0.049 -9.770 -10.511 1.00 43.30 H new ATOM 0 HB3 ALA A 48 -1.280 -9.961 -9.343 1.00 43.30 H new ATOM 773 N GLU A 49 -1.403 -8.289 -6.940 1.00 53.22 N ATOM 774 CA GLU A 49 -2.345 -7.617 -6.033 1.00 41.13 C ATOM 775 C GLU A 49 -1.639 -6.551 -5.181 1.00 12.01 C ATOM 776 O GLU A 49 -2.089 -5.406 -5.099 1.00 60.34 O ATOM 777 CB GLU A 49 -3.042 -8.641 -5.118 1.00 45.53 C ATOM 778 CG GLU A 49 -3.988 -9.599 -5.845 1.00 15.31 C ATOM 779 CD GLU A 49 -3.298 -10.411 -6.929 1.00 23.53 C ATOM 780 OE1 GLU A 49 -2.295 -11.084 -6.623 1.00 22.31 O ATOM 781 OE2 GLU A 49 -3.739 -10.353 -8.097 1.00 32.33 O ATOM 0 H GLU A 49 -1.284 -9.285 -6.756 1.00 53.22 H new ATOM 0 HA GLU A 49 -3.095 -7.121 -6.649 1.00 41.13 H new ATOM 0 HB2 GLU A 49 -2.281 -9.225 -4.601 1.00 45.53 H new ATOM 0 HB3 GLU A 49 -3.605 -8.104 -4.355 1.00 45.53 H new ATOM 0 HG2 GLU A 49 -4.435 -10.279 -5.120 1.00 15.31 H new ATOM 0 HG3 GLU A 49 -4.802 -9.028 -6.290 1.00 15.31 H new ATOM 788 N VAL A 50 -0.526 -6.932 -4.562 1.00 60.02 N ATOM 789 CA VAL A 50 0.234 -6.012 -3.715 1.00 50.21 C ATOM 790 C VAL A 50 0.829 -4.855 -4.535 1.00 73.00 C ATOM 791 O VAL A 50 0.845 -3.707 -4.088 1.00 31.31 O ATOM 792 CB VAL A 50 1.367 -6.751 -2.962 1.00 32.14 C ATOM 793 CG1 VAL A 50 2.149 -5.785 -2.079 1.00 12.33 C ATOM 794 CG2 VAL A 50 0.801 -7.903 -2.130 1.00 12.03 C ATOM 0 H VAL A 50 -0.129 -7.869 -4.629 1.00 60.02 H new ATOM 0 HA VAL A 50 -0.464 -5.600 -2.986 1.00 50.21 H new ATOM 0 HB VAL A 50 2.051 -7.167 -3.702 1.00 32.14 H new ATOM 0 HG11 VAL A 50 2.940 -6.326 -1.559 1.00 12.33 H new ATOM 0 HG12 VAL A 50 2.590 -5.003 -2.697 1.00 12.33 H new ATOM 0 HG13 VAL A 50 1.477 -5.335 -1.348 1.00 12.33 H new ATOM 0 HG21 VAL A 50 1.614 -8.409 -1.609 1.00 12.03 H new ATOM 0 HG22 VAL A 50 0.091 -7.511 -1.401 1.00 12.03 H new ATOM 0 HG23 VAL A 50 0.294 -8.611 -2.786 1.00 12.03 H new ATOM 804 N LYS A 51 1.317 -5.162 -5.740 1.00 0.14 N ATOM 805 CA LYS A 51 1.830 -4.134 -6.655 1.00 4.34 C ATOM 806 C LYS A 51 0.738 -3.091 -6.955 1.00 32.12 C ATOM 807 O LYS A 51 1.005 -1.885 -6.984 1.00 21.24 O ATOM 808 CB LYS A 51 2.340 -4.792 -7.957 1.00 4.21 C ATOM 809 CG LYS A 51 3.131 -3.863 -8.890 1.00 41.02 C ATOM 810 CD LYS A 51 2.231 -2.952 -9.728 1.00 73.40 C ATOM 811 CE LYS A 51 3.041 -1.999 -10.602 1.00 33.11 C ATOM 812 NZ LYS A 51 2.168 -1.116 -11.423 1.00 24.25 N ATOM 0 H LYS A 51 1.368 -6.113 -6.106 1.00 0.14 H new ATOM 0 HA LYS A 51 2.665 -3.620 -6.180 1.00 4.34 H new ATOM 0 HB2 LYS A 51 2.972 -5.640 -7.694 1.00 4.21 H new ATOM 0 HB3 LYS A 51 1.485 -5.189 -8.504 1.00 4.21 H new ATOM 0 HG2 LYS A 51 3.807 -3.249 -8.295 1.00 41.02 H new ATOM 0 HG3 LYS A 51 3.749 -4.466 -9.555 1.00 41.02 H new ATOM 0 HD2 LYS A 51 1.584 -3.562 -10.359 1.00 73.40 H new ATOM 0 HD3 LYS A 51 1.582 -2.376 -9.068 1.00 73.40 H new ATOM 0 HE2 LYS A 51 3.684 -1.387 -9.970 1.00 33.11 H new ATOM 0 HE3 LYS A 51 3.693 -2.575 -11.258 1.00 33.11 H new ATOM 0 HZ1 LYS A 51 2.742 -0.632 -12.143 1.00 24.25 H new ATOM 0 HZ2 LYS A 51 1.437 -1.689 -11.891 1.00 24.25 H new ATOM 0 HZ3 LYS A 51 1.714 -0.409 -10.810 1.00 24.25 H new ATOM 826 N GLY A 52 -0.487 -3.571 -7.174 1.00 50.53 N ATOM 827 CA GLY A 52 -1.624 -2.683 -7.390 1.00 72.21 C ATOM 828 C GLY A 52 -1.889 -1.771 -6.195 1.00 43.10 C ATOM 829 O GLY A 52 -2.060 -0.563 -6.355 1.00 55.11 O ATOM 0 H GLY A 52 -0.714 -4.565 -7.206 1.00 50.53 H new ATOM 0 HA2 GLY A 52 -1.442 -2.073 -8.275 1.00 72.21 H new ATOM 0 HA3 GLY A 52 -2.514 -3.280 -7.592 1.00 72.21 H new ATOM 833 N VAL A 53 -1.906 -2.352 -4.993 1.00 52.22 N ATOM 834 CA VAL A 53 -2.092 -1.580 -3.755 1.00 22.41 C ATOM 835 C VAL A 53 -0.986 -0.525 -3.577 1.00 63.31 C ATOM 836 O VAL A 53 -1.260 0.621 -3.220 1.00 41.02 O ATOM 837 CB VAL A 53 -2.120 -2.513 -2.515 1.00 25.33 C ATOM 838 CG1 VAL A 53 -2.205 -1.710 -1.217 1.00 42.11 C ATOM 839 CG2 VAL A 53 -3.284 -3.495 -2.615 1.00 34.21 C ATOM 0 H VAL A 53 -1.793 -3.355 -4.847 1.00 52.22 H new ATOM 0 HA VAL A 53 -3.051 -1.069 -3.840 1.00 22.41 H new ATOM 0 HB VAL A 53 -1.187 -3.076 -2.497 1.00 25.33 H new ATOM 0 HG11 VAL A 53 -2.223 -2.393 -0.367 1.00 42.11 H new ATOM 0 HG12 VAL A 53 -1.338 -1.054 -1.137 1.00 42.11 H new ATOM 0 HG13 VAL A 53 -3.115 -1.110 -1.219 1.00 42.11 H new ATOM 0 HG21 VAL A 53 -3.290 -4.142 -1.738 1.00 34.21 H new ATOM 0 HG22 VAL A 53 -4.223 -2.943 -2.665 1.00 34.21 H new ATOM 0 HG23 VAL A 53 -3.172 -4.102 -3.513 1.00 34.21 H new ATOM 849 N CYS A 54 0.258 -0.920 -3.837 1.00 34.44 N ATOM 850 CA CYS A 54 1.401 0.001 -3.736 1.00 65.14 C ATOM 851 C CYS A 54 1.265 1.167 -4.724 1.00 4.14 C ATOM 852 O CYS A 54 1.618 2.305 -4.414 1.00 24.31 O ATOM 853 CB CYS A 54 2.716 -0.745 -3.996 1.00 35.02 C ATOM 854 SG CYS A 54 3.031 -2.120 -2.864 1.00 1.23 S ATOM 0 H CYS A 54 0.506 -1.868 -4.119 1.00 34.44 H new ATOM 0 HA CYS A 54 1.410 0.405 -2.724 1.00 65.14 H new ATOM 0 HB2 CYS A 54 2.708 -1.126 -5.017 1.00 35.02 H new ATOM 0 HB3 CYS A 54 3.541 -0.037 -3.926 1.00 35.02 H new ATOM 0 HG CYS A 54 2.107 -3.023 -3.011 1.00 1.23 H new ATOM 860 N THR A 55 0.751 0.873 -5.916 1.00 72.11 N ATOM 861 CA THR A 55 0.547 1.900 -6.945 1.00 61.31 C ATOM 862 C THR A 55 -0.612 2.840 -6.576 1.00 44.12 C ATOM 863 O THR A 55 -0.460 4.064 -6.571 1.00 72.11 O ATOM 864 CB THR A 55 0.257 1.265 -8.330 1.00 35.33 C ATOM 865 OG1 THR A 55 1.345 0.408 -8.723 1.00 42.33 O ATOM 866 CG2 THR A 55 0.040 2.334 -9.399 1.00 70.30 C ATOM 0 H THR A 55 0.467 -0.066 -6.197 1.00 72.11 H new ATOM 0 HA THR A 55 1.472 2.474 -7.000 1.00 61.31 H new ATOM 0 HB THR A 55 -0.657 0.678 -8.239 1.00 35.33 H new ATOM 0 HG1 THR A 55 1.326 -0.412 -8.186 1.00 42.33 H new ATOM 0 HG21 THR A 55 -0.161 1.855 -10.357 1.00 70.30 H new ATOM 0 HG22 THR A 55 -0.808 2.959 -9.121 1.00 70.30 H new ATOM 0 HG23 THR A 55 0.934 2.952 -9.483 1.00 70.30 H new ATOM 874 N GLU A 56 -1.771 2.258 -6.262 1.00 60.21 N ATOM 875 CA GLU A 56 -2.956 3.039 -5.898 1.00 3.34 C ATOM 876 C GLU A 56 -2.747 3.843 -4.610 1.00 11.23 C ATOM 877 O GLU A 56 -3.321 4.916 -4.456 1.00 12.55 O ATOM 878 CB GLU A 56 -4.196 2.136 -5.773 1.00 22.33 C ATOM 879 CG GLU A 56 -4.834 1.781 -7.113 1.00 21.14 C ATOM 880 CD GLU A 56 -5.314 3.014 -7.870 1.00 35.24 C ATOM 881 OE1 GLU A 56 -6.400 3.539 -7.539 1.00 12.20 O ATOM 882 OE2 GLU A 56 -4.603 3.477 -8.788 1.00 32.42 O ATOM 0 H GLU A 56 -1.915 1.248 -6.252 1.00 60.21 H new ATOM 0 HA GLU A 56 -3.123 3.752 -6.705 1.00 3.34 H new ATOM 0 HB2 GLU A 56 -3.915 1.217 -5.260 1.00 22.33 H new ATOM 0 HB3 GLU A 56 -4.937 2.636 -5.149 1.00 22.33 H new ATOM 0 HG2 GLU A 56 -4.112 1.240 -7.725 1.00 21.14 H new ATOM 0 HG3 GLU A 56 -5.676 1.110 -6.945 1.00 21.14 H new ATOM 889 N ALA A 57 -1.924 3.334 -3.693 1.00 20.15 N ATOM 890 CA ALA A 57 -1.610 4.063 -2.456 1.00 44.24 C ATOM 891 C ALA A 57 -1.094 5.479 -2.759 1.00 1.20 C ATOM 892 O ALA A 57 -1.562 6.465 -2.185 1.00 73.45 O ATOM 893 CB ALA A 57 -0.586 3.287 -1.632 1.00 51.43 C ATOM 0 H ALA A 57 -1.464 2.428 -3.778 1.00 20.15 H new ATOM 0 HA ALA A 57 -2.529 4.160 -1.878 1.00 44.24 H new ATOM 0 HB1 ALA A 57 -0.362 3.837 -0.718 1.00 51.43 H new ATOM 0 HB2 ALA A 57 -0.992 2.308 -1.376 1.00 51.43 H new ATOM 0 HB3 ALA A 57 0.328 3.160 -2.213 1.00 51.43 H new ATOM 899 N GLY A 58 -0.145 5.576 -3.690 1.00 44.41 N ATOM 900 CA GLY A 58 0.343 6.878 -4.125 1.00 41.14 C ATOM 901 C GLY A 58 -0.707 7.656 -4.917 1.00 2.14 C ATOM 902 O GLY A 58 -0.775 8.884 -4.846 1.00 73.31 O ATOM 0 H GLY A 58 0.294 4.779 -4.150 1.00 44.41 H new ATOM 0 HA2 GLY A 58 0.643 7.461 -3.254 1.00 41.14 H new ATOM 0 HA3 GLY A 58 1.233 6.743 -4.740 1.00 41.14 H new ATOM 906 N MET A 59 -1.541 6.932 -5.666 1.00 44.41 N ATOM 907 CA MET A 59 -2.604 7.551 -6.466 1.00 54.22 C ATOM 908 C MET A 59 -3.715 8.131 -5.573 1.00 25.33 C ATOM 909 O MET A 59 -4.367 9.108 -5.939 1.00 13.22 O ATOM 910 CB MET A 59 -3.198 6.533 -7.453 1.00 25.44 C ATOM 911 CG MET A 59 -2.180 5.870 -8.390 1.00 11.43 C ATOM 912 SD MET A 59 -1.842 6.818 -9.895 1.00 74.12 S ATOM 913 CE MET A 59 -0.967 8.243 -9.250 1.00 53.21 C ATOM 0 H MET A 59 -1.502 5.915 -5.736 1.00 44.41 H new ATOM 0 HA MET A 59 -2.158 8.372 -7.027 1.00 54.22 H new ATOM 0 HB2 MET A 59 -3.708 5.755 -6.886 1.00 25.44 H new ATOM 0 HB3 MET A 59 -3.954 7.034 -8.058 1.00 25.44 H new ATOM 0 HG2 MET A 59 -1.246 5.721 -7.849 1.00 11.43 H new ATOM 0 HG3 MET A 59 -2.547 4.882 -8.669 1.00 11.43 H new ATOM 0 HE1 MET A 59 -0.241 8.588 -9.986 1.00 53.21 H new ATOM 0 HE2 MET A 59 -1.678 9.042 -9.040 1.00 53.21 H new ATOM 0 HE3 MET A 59 -0.449 7.967 -8.331 1.00 53.21 H new ATOM 923 N TYR A 60 -3.939 7.513 -4.413 1.00 21.35 N ATOM 924 CA TYR A 60 -4.897 8.028 -3.427 1.00 13.13 C ATOM 925 C TYR A 60 -4.389 9.336 -2.810 1.00 71.05 C ATOM 926 O TYR A 60 -5.120 10.324 -2.728 1.00 14.42 O ATOM 927 CB TYR A 60 -5.168 6.988 -2.325 1.00 42.12 C ATOM 928 CG TYR A 60 -6.314 6.041 -2.638 1.00 32.32 C ATOM 929 CD1 TYR A 60 -7.624 6.393 -2.328 1.00 62.22 C ATOM 930 CD2 TYR A 60 -6.095 4.804 -3.234 1.00 75.43 C ATOM 931 CE1 TYR A 60 -8.677 5.543 -2.602 1.00 52.33 C ATOM 932 CE2 TYR A 60 -7.145 3.949 -3.511 1.00 52.10 C ATOM 933 CZ TYR A 60 -8.433 4.324 -3.190 1.00 11.24 C ATOM 934 OH TYR A 60 -9.483 3.474 -3.460 1.00 55.23 O ATOM 0 H TYR A 60 -3.470 6.653 -4.130 1.00 21.35 H new ATOM 0 HA TYR A 60 -5.835 8.229 -3.945 1.00 13.13 H new ATOM 0 HB2 TYR A 60 -4.262 6.404 -2.160 1.00 42.12 H new ATOM 0 HB3 TYR A 60 -5.385 7.510 -1.393 1.00 42.12 H new ATOM 0 HD1 TYR A 60 -7.821 7.348 -1.865 1.00 62.22 H new ATOM 0 HD2 TYR A 60 -5.088 4.506 -3.485 1.00 75.43 H new ATOM 0 HE1 TYR A 60 -9.687 5.834 -2.356 1.00 52.33 H new ATOM 0 HE2 TYR A 60 -6.958 2.992 -3.976 1.00 52.10 H new ATOM 0 HH TYR A 60 -10.292 3.999 -3.636 1.00 55.23 H new ATOM 944 N ALA A 61 -3.128 9.336 -2.392 1.00 53.32 N ATOM 945 CA ALA A 61 -2.488 10.547 -1.884 1.00 14.31 C ATOM 946 C ALA A 61 -2.587 11.698 -2.898 1.00 64.15 C ATOM 947 O ALA A 61 -3.142 12.756 -2.601 1.00 53.45 O ATOM 948 CB ALA A 61 -1.031 10.262 -1.539 1.00 12.35 C ATOM 0 H ALA A 61 -2.527 8.512 -2.394 1.00 53.32 H new ATOM 0 HA ALA A 61 -3.013 10.856 -0.980 1.00 14.31 H new ATOM 0 HB1 ALA A 61 -0.562 11.171 -1.161 1.00 12.35 H new ATOM 0 HB2 ALA A 61 -0.983 9.485 -0.776 1.00 12.35 H new ATOM 0 HB3 ALA A 61 -0.504 9.927 -2.432 1.00 12.35 H new ATOM 954 N LEU A 62 -2.071 11.474 -4.104 1.00 52.20 N ATOM 955 CA LEU A 62 -2.073 12.501 -5.153 1.00 44.21 C ATOM 956 C LEU A 62 -3.495 12.986 -5.503 1.00 4.20 C ATOM 957 O LEU A 62 -3.714 14.183 -5.700 1.00 14.10 O ATOM 958 CB LEU A 62 -1.363 11.981 -6.410 1.00 30.35 C ATOM 959 CG LEU A 62 0.127 11.640 -6.222 1.00 50.05 C ATOM 960 CD1 LEU A 62 0.734 11.130 -7.525 1.00 62.35 C ATOM 961 CD2 LEU A 62 0.899 12.853 -5.709 1.00 11.11 C ATOM 0 H LEU A 62 -1.645 10.590 -4.383 1.00 52.20 H new ATOM 0 HA LEU A 62 -1.530 13.360 -4.760 1.00 44.21 H new ATOM 0 HB2 LEU A 62 -1.883 11.089 -6.760 1.00 30.35 H new ATOM 0 HB3 LEU A 62 -1.452 12.731 -7.196 1.00 30.35 H new ATOM 0 HG LEU A 62 0.201 10.847 -5.477 1.00 50.05 H new ATOM 0 HD11 LEU A 62 1.787 10.895 -7.369 1.00 62.35 H new ATOM 0 HD12 LEU A 62 0.206 10.232 -7.845 1.00 62.35 H new ATOM 0 HD13 LEU A 62 0.644 11.898 -8.293 1.00 62.35 H new ATOM 0 HD21 LEU A 62 1.949 12.589 -5.583 1.00 11.11 H new ATOM 0 HD22 LEU A 62 0.813 13.669 -6.426 1.00 11.11 H new ATOM 0 HD23 LEU A 62 0.487 13.168 -4.750 1.00 11.11 H new ATOM 973 N ARG A 63 -4.469 12.071 -5.567 1.00 12.11 N ATOM 974 CA ARG A 63 -5.851 12.456 -5.905 1.00 21.52 C ATOM 975 C ARG A 63 -6.485 13.300 -4.785 1.00 43.44 C ATOM 976 O ARG A 63 -7.339 14.147 -5.045 1.00 73.24 O ATOM 977 CB ARG A 63 -6.719 11.221 -6.204 1.00 30.44 C ATOM 978 CG ARG A 63 -7.126 10.416 -4.973 1.00 64.44 C ATOM 979 CD ARG A 63 -7.925 9.169 -5.340 1.00 31.01 C ATOM 980 NE ARG A 63 -7.128 8.208 -6.101 1.00 61.23 N ATOM 981 CZ ARG A 63 -7.455 6.953 -6.269 1.00 75.43 C ATOM 982 NH1 ARG A 63 -8.554 6.482 -5.757 1.00 25.12 N ATOM 983 NH2 ARG A 63 -6.679 6.169 -6.945 1.00 40.11 N ATOM 0 H ARG A 63 -4.334 11.075 -5.393 1.00 12.11 H new ATOM 0 HA ARG A 63 -5.806 13.066 -6.807 1.00 21.52 H new ATOM 0 HB2 ARG A 63 -7.620 11.544 -6.724 1.00 30.44 H new ATOM 0 HB3 ARG A 63 -6.175 10.567 -6.885 1.00 30.44 H new ATOM 0 HG2 ARG A 63 -6.233 10.124 -4.420 1.00 64.44 H new ATOM 0 HG3 ARG A 63 -7.720 11.045 -4.310 1.00 64.44 H new ATOM 0 HD2 ARG A 63 -8.293 8.694 -4.430 1.00 31.01 H new ATOM 0 HD3 ARG A 63 -8.799 9.458 -5.924 1.00 31.01 H new ATOM 0 HE ARG A 63 -6.262 8.537 -6.528 1.00 61.23 H new ATOM 0 HH11 ARG A 63 -9.169 7.093 -5.219 1.00 25.12 H new ATOM 0 HH12 ARG A 63 -8.801 5.502 -5.893 1.00 25.12 H new ATOM 0 HH21 ARG A 63 -5.813 6.530 -7.346 1.00 40.11 H new ATOM 0 HH22 ARG A 63 -6.933 5.190 -7.077 1.00 40.11 H new ATOM 997 N GLU A 64 -6.065 13.063 -3.540 1.00 63.00 N ATOM 998 CA GLU A 64 -6.513 13.879 -2.399 1.00 35.43 C ATOM 999 C GLU A 64 -5.554 15.054 -2.133 1.00 33.30 C ATOM 1000 O GLU A 64 -5.687 15.760 -1.129 1.00 4.44 O ATOM 1001 CB GLU A 64 -6.651 13.017 -1.133 1.00 75.44 C ATOM 1002 CG GLU A 64 -7.826 12.041 -1.176 1.00 54.21 C ATOM 1003 CD GLU A 64 -8.008 11.260 0.120 1.00 53.33 C ATOM 1004 OE1 GLU A 64 -7.822 11.849 1.210 1.00 61.35 O ATOM 1005 OE2 GLU A 64 -8.343 10.057 0.053 1.00 14.45 O ATOM 0 H GLU A 64 -5.417 12.315 -3.292 1.00 63.00 H new ATOM 0 HA GLU A 64 -7.489 14.289 -2.657 1.00 35.43 H new ATOM 0 HB2 GLU A 64 -5.729 12.455 -0.985 1.00 75.44 H new ATOM 0 HB3 GLU A 64 -6.766 13.672 -0.270 1.00 75.44 H new ATOM 0 HG2 GLU A 64 -8.741 12.594 -1.391 1.00 54.21 H new ATOM 0 HG3 GLU A 64 -7.677 11.340 -1.997 1.00 54.21 H new ATOM 1012 N ARG A 65 -4.593 15.252 -3.043 1.00 70.14 N ATOM 1013 CA ARG A 65 -3.615 16.352 -2.960 1.00 24.22 C ATOM 1014 C ARG A 65 -2.669 16.199 -1.751 1.00 64.12 C ATOM 1015 O ARG A 65 -2.026 17.161 -1.326 1.00 61.54 O ATOM 1016 CB ARG A 65 -4.328 17.716 -2.914 1.00 73.21 C ATOM 1017 CG ARG A 65 -5.299 17.954 -4.072 1.00 52.23 C ATOM 1018 CD ARG A 65 -4.622 17.838 -5.437 1.00 52.42 C ATOM 1019 NE ARG A 65 -3.542 18.812 -5.609 1.00 34.22 N ATOM 1020 CZ ARG A 65 -3.105 19.236 -6.765 1.00 43.21 C ATOM 1021 NH1 ARG A 65 -3.659 18.856 -7.868 1.00 62.53 N ATOM 1022 NH2 ARG A 65 -2.120 20.068 -6.810 1.00 64.14 N ATOM 0 H ARG A 65 -4.468 14.655 -3.861 1.00 70.14 H new ATOM 0 HA ARG A 65 -3.004 16.304 -3.861 1.00 24.22 H new ATOM 0 HB2 ARG A 65 -4.874 17.797 -1.974 1.00 73.21 H new ATOM 0 HB3 ARG A 65 -3.577 18.506 -2.915 1.00 73.21 H new ATOM 0 HG2 ARG A 65 -6.114 17.233 -4.012 1.00 52.23 H new ATOM 0 HG3 ARG A 65 -5.742 18.945 -3.973 1.00 52.23 H new ATOM 0 HD2 ARG A 65 -4.222 16.831 -5.557 1.00 52.42 H new ATOM 0 HD3 ARG A 65 -5.365 17.981 -6.221 1.00 52.42 H new ATOM 0 HE ARG A 65 -3.101 19.185 -4.769 1.00 34.22 H new ATOM 0 HH11 ARG A 65 -4.452 18.214 -7.846 1.00 62.53 H new ATOM 0 HH12 ARG A 65 -3.304 19.198 -8.761 1.00 62.53 H new ATOM 0 HH21 ARG A 65 -1.686 20.392 -5.946 1.00 64.14 H new ATOM 0 HH22 ARG A 65 -1.775 20.402 -7.710 1.00 64.14 H new ATOM 1036 N ARG A 66 -2.580 14.985 -1.215 1.00 73.01 N ATOM 1037 CA ARG A 66 -1.667 14.686 -0.104 1.00 11.31 C ATOM 1038 C ARG A 66 -0.202 14.666 -0.579 1.00 3.10 C ATOM 1039 O ARG A 66 0.122 14.040 -1.589 1.00 63.25 O ATOM 1040 CB ARG A 66 -1.994 13.317 0.518 1.00 64.11 C ATOM 1041 CG ARG A 66 -3.434 13.149 1.005 1.00 1.21 C ATOM 1042 CD ARG A 66 -3.650 11.757 1.608 1.00 41.44 C ATOM 1043 NE ARG A 66 -5.030 11.523 2.039 1.00 44.13 N ATOM 1044 CZ ARG A 66 -5.357 10.781 3.065 1.00 2.43 C ATOM 1045 NH1 ARG A 66 -4.448 10.218 3.792 1.00 35.12 N ATOM 1046 NH2 ARG A 66 -6.599 10.591 3.358 1.00 75.13 N ATOM 0 H ARG A 66 -3.130 14.186 -1.530 1.00 73.01 H new ATOM 0 HA ARG A 66 -1.799 15.472 0.639 1.00 11.31 H new ATOM 0 HB2 ARG A 66 -1.784 12.542 -0.219 1.00 64.11 H new ATOM 0 HB3 ARG A 66 -1.321 13.148 1.359 1.00 64.11 H new ATOM 0 HG2 ARG A 66 -3.661 13.911 1.750 1.00 1.21 H new ATOM 0 HG3 ARG A 66 -4.123 13.300 0.174 1.00 1.21 H new ATOM 0 HD2 ARG A 66 -3.373 11.002 0.872 1.00 41.44 H new ATOM 0 HD3 ARG A 66 -2.983 11.630 2.461 1.00 41.44 H new ATOM 0 HE ARG A 66 -5.780 11.965 1.508 1.00 44.13 H new ATOM 0 HH11 ARG A 66 -3.462 10.350 3.568 1.00 35.12 H new ATOM 0 HH12 ARG A 66 -4.717 9.642 4.589 1.00 35.12 H new ATOM 0 HH21 ARG A 66 -7.329 11.020 2.789 1.00 75.13 H new ATOM 0 HH22 ARG A 66 -6.851 10.012 4.159 1.00 75.13 H new ATOM 1060 N VAL A 67 0.679 15.343 0.154 1.00 64.31 N ATOM 1061 CA VAL A 67 2.116 15.302 -0.148 1.00 60.24 C ATOM 1062 C VAL A 67 2.762 14.044 0.458 1.00 73.33 C ATOM 1063 O VAL A 67 3.697 13.468 -0.107 1.00 74.34 O ATOM 1064 CB VAL A 67 2.846 16.566 0.380 1.00 32.14 C ATOM 1065 CG1 VAL A 67 4.325 16.553 -0.001 1.00 72.52 C ATOM 1066 CG2 VAL A 67 2.163 17.835 -0.129 1.00 24.22 C ATOM 0 H VAL A 67 0.431 15.923 0.955 1.00 64.31 H new ATOM 0 HA VAL A 67 2.218 15.274 -1.233 1.00 60.24 H new ATOM 0 HB VAL A 67 2.786 16.557 1.468 1.00 32.14 H new ATOM 0 HG11 VAL A 67 4.808 17.452 0.383 1.00 72.52 H new ATOM 0 HG12 VAL A 67 4.803 15.672 0.428 1.00 72.52 H new ATOM 0 HG13 VAL A 67 4.421 16.526 -1.086 1.00 72.52 H new ATOM 0 HG21 VAL A 67 2.690 18.710 0.252 1.00 24.22 H new ATOM 0 HG22 VAL A 67 2.182 17.846 -1.219 1.00 24.22 H new ATOM 0 HG23 VAL A 67 1.129 17.855 0.216 1.00 24.22 H new ATOM 1076 N HIS A 68 2.252 13.622 1.613 1.00 33.45 N ATOM 1077 CA HIS A 68 2.732 12.410 2.284 1.00 2.13 C ATOM 1078 C HIS A 68 1.675 11.295 2.255 1.00 14.23 C ATOM 1079 O HIS A 68 0.547 11.482 2.713 1.00 20.44 O ATOM 1080 CB HIS A 68 3.118 12.720 3.734 1.00 41.55 C ATOM 1081 CG HIS A 68 4.333 13.589 3.856 1.00 73.13 C ATOM 1082 ND1 HIS A 68 4.289 14.964 3.784 1.00 53.14 N ATOM 1083 CD2 HIS A 68 5.634 13.270 4.047 1.00 20.22 C ATOM 1084 CE1 HIS A 68 5.505 15.449 3.920 1.00 45.11 C ATOM 1085 NE2 HIS A 68 6.340 14.445 4.082 1.00 1.32 N ATOM 0 H HIS A 68 1.501 14.103 2.109 1.00 33.45 H new ATOM 0 HA HIS A 68 3.611 12.061 1.743 1.00 2.13 H new ATOM 0 HB2 HIS A 68 2.279 13.210 4.228 1.00 41.55 H new ATOM 0 HB3 HIS A 68 3.296 11.783 4.262 1.00 41.55 H new ATOM 0 HD2 HIS A 68 6.041 12.275 4.152 1.00 20.22 H new ATOM 0 HE1 HIS A 68 5.772 16.495 3.902 1.00 45.11 H new ATOM 0 HE2 HIS A 68 7.348 14.527 4.212 1.00 1.32 H new ATOM 1094 N VAL A 69 2.058 10.138 1.722 1.00 52.51 N ATOM 1095 CA VAL A 69 1.179 8.965 1.678 1.00 75.43 C ATOM 1096 C VAL A 69 1.016 8.353 3.079 1.00 55.31 C ATOM 1097 O VAL A 69 1.994 7.927 3.702 1.00 14.41 O ATOM 1098 CB VAL A 69 1.731 7.884 0.710 1.00 31.42 C ATOM 1099 CG1 VAL A 69 0.753 6.717 0.574 1.00 63.54 C ATOM 1100 CG2 VAL A 69 2.049 8.488 -0.657 1.00 5.22 C ATOM 0 H VAL A 69 2.978 9.984 1.310 1.00 52.51 H new ATOM 0 HA VAL A 69 0.208 9.302 1.315 1.00 75.43 H new ATOM 0 HB VAL A 69 2.658 7.498 1.134 1.00 31.42 H new ATOM 0 HG11 VAL A 69 1.165 5.975 -0.110 1.00 63.54 H new ATOM 0 HG12 VAL A 69 0.593 6.261 1.551 1.00 63.54 H new ATOM 0 HG13 VAL A 69 -0.197 7.082 0.184 1.00 63.54 H new ATOM 0 HG21 VAL A 69 2.434 7.711 -1.317 1.00 5.22 H new ATOM 0 HG22 VAL A 69 1.142 8.913 -1.087 1.00 5.22 H new ATOM 0 HG23 VAL A 69 2.798 9.272 -0.543 1.00 5.22 H new ATOM 1110 N THR A 70 -0.215 8.320 3.574 1.00 22.13 N ATOM 1111 CA THR A 70 -0.491 7.796 4.920 1.00 53.13 C ATOM 1112 C THR A 70 -0.892 6.317 4.881 1.00 41.14 C ATOM 1113 O THR A 70 -1.063 5.729 3.812 1.00 42.14 O ATOM 1114 CB THR A 70 -1.620 8.585 5.633 1.00 13.41 C ATOM 1115 OG1 THR A 70 -2.895 8.279 5.046 1.00 62.04 O ATOM 1116 CG2 THR A 70 -1.376 10.090 5.559 1.00 60.15 C ATOM 0 H THR A 70 -1.040 8.647 3.071 1.00 22.13 H new ATOM 0 HA THR A 70 0.438 7.912 5.478 1.00 53.13 H new ATOM 0 HB THR A 70 -1.620 8.283 6.680 1.00 13.41 H new ATOM 0 HG1 THR A 70 -2.822 8.312 4.069 1.00 62.04 H new ATOM 0 HG21 THR A 70 -2.184 10.615 6.068 1.00 60.15 H new ATOM 0 HG22 THR A 70 -0.428 10.329 6.041 1.00 60.15 H new ATOM 0 HG23 THR A 70 -1.341 10.402 4.515 1.00 60.15 H new ATOM 1124 N GLN A 71 -1.049 5.724 6.062 1.00 4.14 N ATOM 1125 CA GLN A 71 -1.493 4.332 6.179 1.00 52.52 C ATOM 1126 C GLN A 71 -2.909 4.162 5.598 1.00 13.14 C ATOM 1127 O GLN A 71 -3.268 3.095 5.091 1.00 31.21 O ATOM 1128 CB GLN A 71 -1.439 3.909 7.657 1.00 44.22 C ATOM 1129 CG GLN A 71 -1.735 2.435 7.911 1.00 23.45 C ATOM 1130 CD GLN A 71 -1.414 2.013 9.338 1.00 10.12 C ATOM 1131 OE1 GLN A 71 -0.509 2.550 9.973 1.00 43.02 O ATOM 1132 NE2 GLN A 71 -2.152 1.054 9.857 1.00 64.22 N ATOM 0 H GLN A 71 -0.876 6.185 6.955 1.00 4.14 H new ATOM 0 HA GLN A 71 -0.829 3.687 5.604 1.00 52.52 H new ATOM 0 HB2 GLN A 71 -0.449 4.139 8.050 1.00 44.22 H new ATOM 0 HB3 GLN A 71 -2.153 4.511 8.219 1.00 44.22 H new ATOM 0 HG2 GLN A 71 -2.787 2.238 7.706 1.00 23.45 H new ATOM 0 HG3 GLN A 71 -1.156 1.827 7.217 1.00 23.45 H new ATOM 0 HE21 GLN A 71 -2.896 0.628 9.305 1.00 64.22 H new ATOM 0 HE22 GLN A 71 -1.980 0.738 10.811 1.00 64.22 H new ATOM 1141 N GLU A 72 -3.685 5.248 5.641 1.00 4.04 N ATOM 1142 CA GLU A 72 -5.048 5.266 5.101 1.00 34.44 C ATOM 1143 C GLU A 72 -5.055 4.957 3.599 1.00 3.42 C ATOM 1144 O GLU A 72 -5.830 4.126 3.124 1.00 32.12 O ATOM 1145 CB GLU A 72 -5.688 6.642 5.324 1.00 62.43 C ATOM 1146 CG GLU A 72 -5.551 7.179 6.746 1.00 60.22 C ATOM 1147 CD GLU A 72 -6.084 8.598 6.887 1.00 53.01 C ATOM 1148 OE1 GLU A 72 -5.918 9.401 5.945 1.00 42.44 O ATOM 1149 OE2 GLU A 72 -6.672 8.917 7.942 1.00 42.50 O ATOM 0 H GLU A 72 -3.389 6.135 6.048 1.00 4.04 H new ATOM 0 HA GLU A 72 -5.618 4.499 5.624 1.00 34.44 H new ATOM 0 HB2 GLU A 72 -5.236 7.355 4.634 1.00 62.43 H new ATOM 0 HB3 GLU A 72 -6.747 6.582 5.072 1.00 62.43 H new ATOM 0 HG2 GLU A 72 -6.087 6.523 7.432 1.00 60.22 H new ATOM 0 HG3 GLU A 72 -4.501 7.158 7.039 1.00 60.22 H new ATOM 1156 N ASP A 73 -4.176 5.634 2.859 1.00 22.24 N ATOM 1157 CA ASP A 73 -4.093 5.479 1.403 1.00 44.11 C ATOM 1158 C ASP A 73 -3.820 4.018 1.003 1.00 65.03 C ATOM 1159 O ASP A 73 -4.395 3.508 0.037 1.00 50.05 O ATOM 1160 CB ASP A 73 -3.000 6.400 0.847 1.00 43.23 C ATOM 1161 CG ASP A 73 -3.241 7.858 1.208 1.00 14.42 C ATOM 1162 OD1 ASP A 73 -4.005 8.533 0.494 1.00 14.32 O ATOM 1163 OD2 ASP A 73 -2.673 8.326 2.220 1.00 74.41 O ATOM 0 H ASP A 73 -3.507 6.300 3.246 1.00 22.24 H new ATOM 0 HA ASP A 73 -5.056 5.760 0.975 1.00 44.11 H new ATOM 0 HB2 ASP A 73 -2.031 6.087 1.235 1.00 43.23 H new ATOM 0 HB3 ASP A 73 -2.958 6.298 -0.237 1.00 43.23 H new ATOM 1168 N PHE A 74 -2.954 3.346 1.760 1.00 23.43 N ATOM 1169 CA PHE A 74 -2.634 1.932 1.510 1.00 2.04 C ATOM 1170 C PHE A 74 -3.868 1.027 1.652 1.00 11.04 C ATOM 1171 O PHE A 74 -4.199 0.273 0.736 1.00 42.44 O ATOM 1172 CB PHE A 74 -1.525 1.456 2.455 1.00 64.31 C ATOM 1173 CG PHE A 74 -0.145 1.885 2.028 1.00 73.41 C ATOM 1174 CD1 PHE A 74 0.343 3.141 2.356 1.00 1.15 C ATOM 1175 CD2 PHE A 74 0.664 1.027 1.295 1.00 2.01 C ATOM 1176 CE1 PHE A 74 1.606 3.533 1.959 1.00 61.24 C ATOM 1177 CE2 PHE A 74 1.928 1.415 0.898 1.00 53.00 C ATOM 1178 CZ PHE A 74 2.400 2.668 1.231 1.00 61.23 C ATOM 0 H PHE A 74 -2.459 3.754 2.553 1.00 23.43 H new ATOM 0 HA PHE A 74 -2.286 1.860 0.480 1.00 2.04 H new ATOM 0 HB2 PHE A 74 -1.722 1.839 3.456 1.00 64.31 H new ATOM 0 HB3 PHE A 74 -1.555 0.368 2.519 1.00 64.31 H new ATOM 0 HD1 PHE A 74 -0.272 3.820 2.928 1.00 1.15 H new ATOM 0 HD2 PHE A 74 0.300 0.045 1.032 1.00 2.01 H new ATOM 0 HE1 PHE A 74 1.973 4.515 2.217 1.00 61.24 H new ATOM 0 HE2 PHE A 74 2.547 0.738 0.327 1.00 53.00 H new ATOM 0 HZ PHE A 74 3.389 2.972 0.923 1.00 61.23 H new ATOM 1188 N GLU A 75 -4.548 1.096 2.797 1.00 62.33 N ATOM 1189 CA GLU A 75 -5.742 0.269 3.025 1.00 40.44 C ATOM 1190 C GLU A 75 -6.901 0.667 2.095 1.00 11.20 C ATOM 1191 O GLU A 75 -7.718 -0.175 1.714 1.00 64.41 O ATOM 1192 CB GLU A 75 -6.164 0.296 4.501 1.00 61.21 C ATOM 1193 CG GLU A 75 -6.278 1.684 5.114 1.00 41.45 C ATOM 1194 CD GLU A 75 -6.517 1.623 6.614 1.00 40.04 C ATOM 1195 OE1 GLU A 75 -5.547 1.394 7.368 1.00 61.14 O ATOM 1196 OE2 GLU A 75 -7.682 1.753 7.042 1.00 1.12 O ATOM 0 H GLU A 75 -4.300 1.707 3.575 1.00 62.33 H new ATOM 0 HA GLU A 75 -5.477 -0.759 2.778 1.00 40.44 H new ATOM 0 HB2 GLU A 75 -7.126 -0.207 4.597 1.00 61.21 H new ATOM 0 HB3 GLU A 75 -5.443 -0.282 5.080 1.00 61.21 H new ATOM 0 HG2 GLU A 75 -5.365 2.245 4.914 1.00 41.45 H new ATOM 0 HG3 GLU A 75 -7.096 2.225 4.638 1.00 41.45 H new ATOM 1203 N MET A 76 -6.972 1.944 1.724 1.00 54.40 N ATOM 1204 CA MET A 76 -7.920 2.390 0.695 1.00 12.24 C ATOM 1205 C MET A 76 -7.591 1.743 -0.661 1.00 73.42 C ATOM 1206 O MET A 76 -8.487 1.418 -1.448 1.00 15.14 O ATOM 1207 CB MET A 76 -7.909 3.920 0.574 1.00 2.53 C ATOM 1208 CG MET A 76 -8.586 4.628 1.738 1.00 14.13 C ATOM 1209 SD MET A 76 -10.312 4.139 1.929 1.00 63.02 S ATOM 1210 CE MET A 76 -10.976 4.585 0.322 1.00 31.54 C ATOM 0 H MET A 76 -6.391 2.686 2.115 1.00 54.40 H new ATOM 0 HA MET A 76 -8.920 2.076 0.995 1.00 12.24 H new ATOM 0 HB2 MET A 76 -6.877 4.263 0.502 1.00 2.53 H new ATOM 0 HB3 MET A 76 -8.406 4.206 -0.353 1.00 2.53 H new ATOM 0 HG2 MET A 76 -8.045 4.408 2.658 1.00 14.13 H new ATOM 0 HG3 MET A 76 -8.531 5.706 1.586 1.00 14.13 H new ATOM 0 HE1 MET A 76 -12.063 4.648 0.382 1.00 31.54 H new ATOM 0 HE2 MET A 76 -10.573 5.551 0.017 1.00 31.54 H new ATOM 0 HE3 MET A 76 -10.696 3.828 -0.410 1.00 31.54 H new ATOM 1220 N ALA A 77 -6.300 1.563 -0.924 1.00 12.13 N ATOM 1221 CA ALA A 77 -5.844 0.840 -2.113 1.00 61.12 C ATOM 1222 C ALA A 77 -6.182 -0.657 -2.009 1.00 54.43 C ATOM 1223 O ALA A 77 -6.536 -1.291 -3.000 1.00 74.50 O ATOM 1224 CB ALA A 77 -4.347 1.043 -2.317 1.00 73.22 C ATOM 0 H ALA A 77 -5.547 1.908 -0.329 1.00 12.13 H new ATOM 0 HA ALA A 77 -6.368 1.243 -2.980 1.00 61.12 H new ATOM 0 HB1 ALA A 77 -4.024 0.499 -3.205 1.00 73.22 H new ATOM 0 HB2 ALA A 77 -4.138 2.105 -2.446 1.00 73.22 H new ATOM 0 HB3 ALA A 77 -3.807 0.670 -1.447 1.00 73.22 H new ATOM 1230 N VAL A 78 -6.074 -1.213 -0.800 1.00 65.41 N ATOM 1231 CA VAL A 78 -6.487 -2.599 -0.542 1.00 50.34 C ATOM 1232 C VAL A 78 -7.965 -2.810 -0.904 1.00 12.31 C ATOM 1233 O VAL A 78 -8.311 -3.742 -1.628 1.00 43.34 O ATOM 1234 CB VAL A 78 -6.264 -2.993 0.943 1.00 32.11 C ATOM 1235 CG1 VAL A 78 -6.831 -4.384 1.238 1.00 21.33 C ATOM 1236 CG2 VAL A 78 -4.781 -2.929 1.303 1.00 5.11 C ATOM 0 H VAL A 78 -5.704 -0.727 0.017 1.00 65.41 H new ATOM 0 HA VAL A 78 -5.867 -3.237 -1.172 1.00 50.34 H new ATOM 0 HB VAL A 78 -6.800 -2.274 1.563 1.00 32.11 H new ATOM 0 HG11 VAL A 78 -6.660 -4.632 2.285 1.00 21.33 H new ATOM 0 HG12 VAL A 78 -7.902 -4.391 1.034 1.00 21.33 H new ATOM 0 HG13 VAL A 78 -6.336 -5.120 0.605 1.00 21.33 H new ATOM 0 HG21 VAL A 78 -4.648 -3.209 2.348 1.00 5.11 H new ATOM 0 HG22 VAL A 78 -4.223 -3.618 0.669 1.00 5.11 H new ATOM 0 HG23 VAL A 78 -4.413 -1.915 1.149 1.00 5.11 H new ATOM 1246 N ALA A 79 -8.832 -1.929 -0.405 1.00 73.10 N ATOM 1247 CA ALA A 79 -10.259 -1.975 -0.746 1.00 65.11 C ATOM 1248 C ALA A 79 -10.477 -1.837 -2.263 1.00 55.41 C ATOM 1249 O ALA A 79 -11.361 -2.474 -2.838 1.00 72.33 O ATOM 1250 CB ALA A 79 -11.009 -0.878 0.000 1.00 31.11 C ATOM 0 H ALA A 79 -8.575 -1.177 0.234 1.00 73.10 H new ATOM 0 HA ALA A 79 -10.650 -2.946 -0.441 1.00 65.11 H new ATOM 0 HB1 ALA A 79 -12.067 -0.920 -0.259 1.00 31.11 H new ATOM 0 HB2 ALA A 79 -10.892 -1.023 1.074 1.00 31.11 H new ATOM 0 HB3 ALA A 79 -10.605 0.095 -0.281 1.00 31.11 H new ATOM 1256 N LYS A 80 -9.655 -1.006 -2.901 1.00 40.22 N ATOM 1257 CA LYS A 80 -9.726 -0.787 -4.350 1.00 70.10 C ATOM 1258 C LYS A 80 -9.348 -2.058 -5.140 1.00 2.24 C ATOM 1259 O LYS A 80 -10.076 -2.482 -6.039 1.00 3.05 O ATOM 1260 CB LYS A 80 -8.791 0.375 -4.738 1.00 71.54 C ATOM 1261 CG LYS A 80 -8.779 0.730 -6.232 1.00 72.02 C ATOM 1262 CD LYS A 80 -9.800 1.812 -6.601 1.00 63.32 C ATOM 1263 CE LYS A 80 -11.243 1.356 -6.414 1.00 3.40 C ATOM 1264 NZ LYS A 80 -12.214 2.418 -6.792 1.00 50.42 N ATOM 0 H LYS A 80 -8.925 -0.468 -2.435 1.00 40.22 H new ATOM 0 HA LYS A 80 -10.755 -0.537 -4.606 1.00 70.10 H new ATOM 0 HB2 LYS A 80 -9.083 1.260 -4.172 1.00 71.54 H new ATOM 0 HB3 LYS A 80 -7.776 0.122 -4.432 1.00 71.54 H new ATOM 0 HG2 LYS A 80 -7.782 1.070 -6.511 1.00 72.02 H new ATOM 0 HG3 LYS A 80 -8.984 -0.168 -6.814 1.00 72.02 H new ATOM 0 HD2 LYS A 80 -9.622 2.696 -5.989 1.00 63.32 H new ATOM 0 HD3 LYS A 80 -9.649 2.107 -7.639 1.00 63.32 H new ATOM 0 HE2 LYS A 80 -11.424 0.467 -7.018 1.00 3.40 H new ATOM 0 HE3 LYS A 80 -11.402 1.072 -5.374 1.00 3.40 H new ATOM 0 HZ1 LYS A 80 -13.183 2.069 -6.650 1.00 50.42 H new ATOM 0 HZ2 LYS A 80 -12.059 3.258 -6.198 1.00 50.42 H new ATOM 0 HZ3 LYS A 80 -12.080 2.671 -7.792 1.00 50.42 H new ATOM 1278 N VAL A 81 -8.213 -2.664 -4.790 1.00 5.33 N ATOM 1279 CA VAL A 81 -7.693 -3.835 -5.514 1.00 0.22 C ATOM 1280 C VAL A 81 -8.410 -5.139 -5.115 1.00 72.05 C ATOM 1281 O VAL A 81 -8.850 -5.902 -5.978 1.00 34.40 O ATOM 1282 CB VAL A 81 -6.167 -4.001 -5.282 1.00 52.20 C ATOM 1283 CG1 VAL A 81 -5.626 -5.236 -6.009 1.00 14.12 C ATOM 1284 CG2 VAL A 81 -5.420 -2.742 -5.724 1.00 44.42 C ATOM 0 H VAL A 81 -7.631 -2.365 -4.007 1.00 5.33 H new ATOM 0 HA VAL A 81 -7.886 -3.650 -6.571 1.00 0.22 H new ATOM 0 HB VAL A 81 -6.002 -4.146 -4.214 1.00 52.20 H new ATOM 0 HG11 VAL A 81 -4.555 -5.325 -5.827 1.00 14.12 H new ATOM 0 HG12 VAL A 81 -6.132 -6.127 -5.638 1.00 14.12 H new ATOM 0 HG13 VAL A 81 -5.805 -5.136 -7.079 1.00 14.12 H new ATOM 0 HG21 VAL A 81 -4.351 -2.875 -5.555 1.00 44.42 H new ATOM 0 HG22 VAL A 81 -5.600 -2.565 -6.784 1.00 44.42 H new ATOM 0 HG23 VAL A 81 -5.775 -1.887 -5.148 1.00 44.42 H new ATOM 1294 N MET A 82 -8.516 -5.398 -3.811 1.00 43.35 N ATOM 1295 CA MET A 82 -9.182 -6.613 -3.316 1.00 1.23 C ATOM 1296 C MET A 82 -10.709 -6.534 -3.501 1.00 62.43 C ATOM 1297 O MET A 82 -11.397 -7.556 -3.475 1.00 74.20 O ATOM 1298 CB MET A 82 -8.837 -6.859 -1.840 1.00 71.12 C ATOM 1299 CG MET A 82 -7.343 -7.019 -1.576 1.00 35.14 C ATOM 1300 SD MET A 82 -6.588 -8.329 -2.565 1.00 50.01 S ATOM 1301 CE MET A 82 -7.502 -9.767 -2.009 1.00 74.12 C ATOM 0 H MET A 82 -8.153 -4.789 -3.078 1.00 43.35 H new ATOM 0 HA MET A 82 -8.814 -7.452 -3.907 1.00 1.23 H new ATOM 0 HB2 MET A 82 -9.215 -6.028 -1.245 1.00 71.12 H new ATOM 0 HB3 MET A 82 -9.355 -7.756 -1.500 1.00 71.12 H new ATOM 0 HG2 MET A 82 -6.839 -6.076 -1.787 1.00 35.14 H new ATOM 0 HG3 MET A 82 -7.187 -7.234 -0.519 1.00 35.14 H new ATOM 0 HE1 MET A 82 -6.809 -10.584 -1.808 1.00 74.12 H new ATOM 0 HE2 MET A 82 -8.047 -9.521 -1.098 1.00 74.12 H new ATOM 0 HE3 MET A 82 -8.207 -10.072 -2.783 1.00 74.12 H new ATOM 1311 N GLN A 83 -11.226 -5.309 -3.671 1.00 74.02 N ATOM 1312 CA GLN A 83 -12.640 -5.080 -4.028 1.00 40.24 C ATOM 1313 C GLN A 83 -13.616 -5.542 -2.930 1.00 12.43 C ATOM 1314 O GLN A 83 -14.753 -5.919 -3.222 1.00 25.02 O ATOM 1315 CB GLN A 83 -12.969 -5.793 -5.351 1.00 33.41 C ATOM 1316 CG GLN A 83 -12.071 -5.384 -6.515 1.00 35.45 C ATOM 1317 CD GLN A 83 -12.318 -6.204 -7.769 1.00 73.41 C ATOM 1318 OE1 GLN A 83 -13.433 -6.652 -8.026 1.00 31.24 O ATOM 1319 NE2 GLN A 83 -11.278 -6.425 -8.547 1.00 41.53 N ATOM 0 H GLN A 83 -10.683 -4.452 -3.567 1.00 74.02 H new ATOM 0 HA GLN A 83 -12.769 -4.003 -4.139 1.00 40.24 H new ATOM 0 HB2 GLN A 83 -12.886 -6.870 -5.202 1.00 33.41 H new ATOM 0 HB3 GLN A 83 -14.006 -5.587 -5.615 1.00 33.41 H new ATOM 0 HG2 GLN A 83 -12.233 -4.330 -6.739 1.00 35.45 H new ATOM 0 HG3 GLN A 83 -11.028 -5.490 -6.217 1.00 35.45 H new ATOM 0 HE21 GLN A 83 -10.367 -6.037 -8.303 1.00 41.53 H new ATOM 0 HE22 GLN A 83 -11.384 -6.984 -9.394 1.00 41.53 H new