USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 583 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 97 CYS SG : rot -180:sc= -0.419 USER MOD Set 1.2: A 100 CYS SG : rot 165:sc= 0.279 USER MOD Set 1.3: A 102 MET CE :methyl 163:sc= 0 (180deg=-0.0416) USER MOD Set 1.4: A 113 HIS : no HE2:sc= 0.378 K(o=0.27,f=-1.2) USER MOD Set 1.5: A 119 HIS : no HE2:sc= 0.0333 X(o=0.27,f=-0.18) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 118 THR OG1 : rot -130:sc= 0.687 USER MOD Set 3.1: A 36 CYS SG : rot -137:sc= 0.146 USER MOD Set 3.2: A 39 CYS SG : rot 137:sc= 0.391 USER MOD Set 3.3: A 52 HIS : no HE2:sc= -0.428 K(o=0.13,f=-0.94) USER MOD Set 3.4: A 58 HIS : no HD1:sc= 0.0185 K(o=0.13,f=-0.61) USER MOD Set 4.1: A 47 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 48 GLN : amide:sc= -0.0764 K(o=-0.076,f=-0.89) USER MOD Set 5.1: A 35 GLN : amide:sc= 0.865 K(o=1.9,f=-5.7!) USER MOD Set 5.2: A 37 LYS NZ :NH3+ -146:sc= 1.01 (180deg=-0.00144) USER MOD Set 6.1: A 21 ASN : amide:sc= 0.844 K(o=4.2,f=-4.7) USER MOD Set 6.2: A 49 LYS NZ :NH3+ -158:sc= 3.34 (180deg=1.73) USER MOD Single : A 17 LYS NZ :NH3+ 152:sc= 1.31 (180deg=0.551) USER MOD Single : A 22 SER OG : rot 180:sc= 0.176 USER MOD Single : A 27 ASN : amide:sc= 0.762 K(o=0.76,f=-0.0091) USER MOD Single : A 29 HIS : no HD1:sc= 0.345 K(o=0.34,f=-3!) USER MOD Single : A 32 SER OG : rot -43:sc= 1.17 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot -166:sc= 1.21 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 55 SER OG : rot 180:sc= 0.333 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 0.972 (180deg=0.433) USER MOD Single : A 94 SER OG : rot 24:sc= 0.151 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN : amide:sc= 2.04 K(o=2,f=0) USER MOD ----------------------------------------------------------------- ATOM 188 N GLY A 16 -17.549 8.181 15.434 1.00 1.00 N ATOM 189 CA GLY A 16 -17.469 7.586 16.773 1.00 1.00 C ATOM 190 C GLY A 16 -16.573 6.347 16.830 1.00 1.00 C ATOM 191 O GLY A 16 -16.207 5.778 15.797 1.00 1.00 O ATOM 0 HA2 GLY A 16 -17.092 8.332 17.473 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -18.472 7.317 17.104 1.00 1.00 H new ATOM 195 N LYS A 17 -16.208 5.924 18.048 1.00 1.00 N ATOM 196 CA LYS A 17 -15.328 4.766 18.289 1.00 1.00 C ATOM 197 C LYS A 17 -15.873 3.450 17.726 1.00 1.00 C ATOM 198 O LYS A 17 -15.096 2.659 17.202 1.00 1.00 O ATOM 199 CB LYS A 17 -14.979 4.688 19.787 1.00 1.00 C ATOM 200 CG LYS A 17 -14.089 3.476 20.112 1.00 1.00 C ATOM 201 CD LYS A 17 -13.219 3.643 21.363 1.00 1.00 C ATOM 202 CE LYS A 17 -13.978 4.065 22.628 1.00 1.00 C ATOM 203 NZ LYS A 17 -13.097 3.962 23.817 1.00 1.00 N ATOM 0 H LYS A 17 -16.518 6.380 18.906 1.00 1.00 H new ATOM 0 HA LYS A 17 -14.407 4.924 17.729 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -14.469 5.603 20.088 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -15.898 4.629 20.370 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -14.724 2.599 20.241 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -13.441 3.278 19.258 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -12.709 2.700 21.561 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -12.448 4.385 21.155 1.00 1.00 H new ATOM 0 HE2 LYS A 17 -14.336 5.089 22.520 1.00 1.00 H new ATOM 0 HE3 LYS A 17 -14.856 3.432 22.762 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -13.402 4.649 24.536 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -13.155 3.001 24.210 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -12.115 4.164 23.540 1.00 1.00 H new ATOM 217 N ASP A 18 -17.186 3.226 17.776 1.00 1.00 N ATOM 218 CA ASP A 18 -17.814 2.018 17.217 1.00 1.00 C ATOM 219 C ASP A 18 -17.551 1.886 15.705 1.00 1.00 C ATOM 220 O ASP A 18 -17.159 0.815 15.233 1.00 1.00 O ATOM 221 CB ASP A 18 -19.323 2.032 17.496 1.00 1.00 C ATOM 222 CG ASP A 18 -19.633 1.880 18.994 1.00 1.00 C ATOM 223 OD1 ASP A 18 -19.640 0.731 19.496 1.00 1.00 O ATOM 224 OD2 ASP A 18 -19.877 2.910 19.668 1.00 1.00 O ATOM 0 H ASP A 18 -17.848 3.873 18.204 1.00 1.00 H new ATOM 0 HA ASP A 18 -17.365 1.153 17.705 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -19.751 2.965 17.130 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -19.801 1.224 16.943 1.00 1.00 H new ATOM 229 N ALA A 19 -17.706 2.983 14.952 1.00 1.00 N ATOM 230 CA ALA A 19 -17.434 3.013 13.515 1.00 1.00 C ATOM 231 C ALA A 19 -15.941 2.802 13.221 1.00 1.00 C ATOM 232 O ALA A 19 -15.595 2.013 12.343 1.00 1.00 O ATOM 233 CB ALA A 19 -17.924 4.342 12.929 1.00 1.00 C ATOM 0 H ALA A 19 -18.025 3.876 15.327 1.00 1.00 H new ATOM 0 HA ALA A 19 -17.974 2.192 13.042 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -17.721 4.364 11.858 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -18.996 4.441 13.097 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -17.403 5.168 13.414 1.00 1.00 H new ATOM 239 N VAL A 20 -15.050 3.476 13.962 1.00 1.00 N ATOM 240 CA VAL A 20 -13.592 3.341 13.784 1.00 1.00 C ATOM 241 C VAL A 20 -13.112 1.920 14.101 1.00 1.00 C ATOM 242 O VAL A 20 -12.379 1.340 13.303 1.00 1.00 O ATOM 243 CB VAL A 20 -12.838 4.396 14.617 1.00 1.00 C ATOM 244 CG1 VAL A 20 -11.323 4.165 14.599 1.00 1.00 C ATOM 245 CG2 VAL A 20 -13.112 5.800 14.059 1.00 1.00 C ATOM 0 H VAL A 20 -15.315 4.128 14.700 1.00 1.00 H new ATOM 0 HA VAL A 20 -13.367 3.524 12.733 1.00 1.00 H new ATOM 0 HB VAL A 20 -13.197 4.307 15.642 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -10.831 4.931 15.198 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.100 3.182 15.013 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -10.959 4.218 13.573 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -12.575 6.539 14.654 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -12.774 5.852 13.024 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -14.181 6.007 14.103 1.00 1.00 H new ATOM 255 N ASN A 21 -13.548 1.319 15.212 1.00 1.00 N ATOM 256 CA ASN A 21 -13.179 -0.054 15.573 1.00 1.00 C ATOM 257 C ASN A 21 -13.653 -1.058 14.504 1.00 1.00 C ATOM 258 O ASN A 21 -12.891 -1.939 14.105 1.00 1.00 O ATOM 259 CB ASN A 21 -13.745 -0.398 16.964 1.00 1.00 C ATOM 260 CG ASN A 21 -13.021 0.264 18.130 1.00 1.00 C ATOM 261 OD1 ASN A 21 -12.007 0.939 18.005 1.00 1.00 O ATOM 262 ND2 ASN A 21 -13.509 0.056 19.331 1.00 1.00 N ATOM 0 H ASN A 21 -14.166 1.770 15.886 1.00 1.00 H new ATOM 0 HA ASN A 21 -12.092 -0.126 15.616 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -14.795 -0.108 16.995 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -13.708 -1.479 17.098 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -13.044 0.455 20.147 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -14.353 -0.504 19.448 1.00 1.00 H new ATOM 269 N SER A 22 -14.883 -0.905 13.998 1.00 1.00 N ATOM 270 CA SER A 22 -15.435 -1.746 12.925 1.00 1.00 C ATOM 271 C SER A 22 -14.661 -1.559 11.612 1.00 1.00 C ATOM 272 O SER A 22 -14.305 -2.538 10.959 1.00 1.00 O ATOM 273 CB SER A 22 -16.919 -1.395 12.744 1.00 1.00 C ATOM 274 OG SER A 22 -17.590 -2.330 11.916 1.00 1.00 O ATOM 0 H SER A 22 -15.530 -0.187 14.324 1.00 1.00 H new ATOM 0 HA SER A 22 -15.336 -2.796 13.202 1.00 1.00 H new ATOM 0 HB2 SER A 22 -17.405 -1.361 13.719 1.00 1.00 H new ATOM 0 HB3 SER A 22 -17.005 -0.399 12.310 1.00 1.00 H new ATOM 0 HG SER A 22 -18.531 -2.072 11.827 1.00 1.00 H new ATOM 280 N LEU A 23 -14.323 -0.318 11.239 1.00 1.00 N ATOM 281 CA LEU A 23 -13.525 -0.007 10.048 1.00 1.00 C ATOM 282 C LEU A 23 -12.131 -0.652 10.120 1.00 1.00 C ATOM 283 O LEU A 23 -11.686 -1.245 9.135 1.00 1.00 O ATOM 284 CB LEU A 23 -13.460 1.524 9.896 1.00 1.00 C ATOM 285 CG LEU A 23 -12.721 2.024 8.644 1.00 1.00 C ATOM 286 CD1 LEU A 23 -13.430 1.613 7.353 1.00 1.00 C ATOM 287 CD2 LEU A 23 -12.661 3.549 8.674 1.00 1.00 C ATOM 0 H LEU A 23 -14.601 0.510 11.765 1.00 1.00 H new ATOM 0 HA LEU A 23 -13.997 -0.430 9.161 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -14.477 1.915 9.879 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -12.973 1.941 10.777 1.00 1.00 H new ATOM 0 HG LEU A 23 -11.726 1.579 8.655 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -12.871 1.989 6.496 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -13.488 0.526 7.300 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -14.436 2.031 7.342 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -12.138 3.910 7.788 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -13.673 3.953 8.687 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -12.129 3.875 9.568 1.00 1.00 H new ATOM 299 N ILE A 24 -11.473 -0.585 11.286 1.00 1.00 N ATOM 300 CA ILE A 24 -10.182 -1.243 11.537 1.00 1.00 C ATOM 301 C ILE A 24 -10.348 -2.766 11.412 1.00 1.00 C ATOM 302 O ILE A 24 -9.548 -3.409 10.736 1.00 1.00 O ATOM 303 CB ILE A 24 -9.613 -0.843 12.922 1.00 1.00 C ATOM 304 CG1 ILE A 24 -9.197 0.647 12.954 1.00 1.00 C ATOM 305 CG2 ILE A 24 -8.399 -1.716 13.299 1.00 1.00 C ATOM 306 CD1 ILE A 24 -9.014 1.184 14.383 1.00 1.00 C ATOM 0 H ILE A 24 -11.826 -0.067 12.091 1.00 1.00 H new ATOM 0 HA ILE A 24 -9.461 -0.911 10.790 1.00 1.00 H new ATOM 0 HB ILE A 24 -10.410 -1.003 13.649 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -8.265 0.771 12.402 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -9.953 1.242 12.441 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -8.021 -1.412 14.275 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -8.701 -2.763 13.336 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -7.615 -1.591 12.552 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -8.722 2.234 14.343 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -9.952 1.089 14.930 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -8.238 0.611 14.890 1.00 1.00 H new ATOM 318 N ARG A 25 -11.390 -3.350 12.025 1.00 1.00 N ATOM 319 CA ARG A 25 -11.682 -4.796 11.985 1.00 1.00 C ATOM 320 C ARG A 25 -11.881 -5.319 10.557 1.00 1.00 C ATOM 321 O ARG A 25 -11.283 -6.328 10.190 1.00 1.00 O ATOM 322 CB ARG A 25 -12.927 -5.067 12.853 1.00 1.00 C ATOM 323 CG ARG A 25 -13.244 -6.554 13.014 1.00 1.00 C ATOM 324 CD ARG A 25 -14.639 -6.810 13.597 1.00 1.00 C ATOM 325 NE ARG A 25 -15.681 -6.457 12.614 1.00 1.00 N ATOM 326 CZ ARG A 25 -16.593 -5.512 12.712 1.00 1.00 C ATOM 327 NH1 ARG A 25 -16.859 -4.876 13.816 1.00 1.00 N ATOM 328 NH2 ARG A 25 -17.243 -5.174 11.648 1.00 1.00 N ATOM 0 H ARG A 25 -12.068 -2.821 12.574 1.00 1.00 H new ATOM 0 HA ARG A 25 -10.822 -5.335 12.382 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -12.776 -4.627 13.839 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -13.787 -4.566 12.408 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -13.167 -7.043 12.043 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -12.496 -7.011 13.662 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -14.736 -7.859 13.878 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -14.774 -6.223 14.506 1.00 1.00 H new ATOM 0 HE ARG A 25 -15.697 -7.010 11.757 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -16.348 -5.101 14.670 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -17.578 -4.153 13.827 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -17.044 -5.636 10.761 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -17.955 -4.445 11.695 1.00 1.00 H new ATOM 342 N GLU A 26 -12.684 -4.634 9.743 1.00 1.00 N ATOM 343 CA GLU A 26 -12.955 -5.021 8.347 1.00 1.00 C ATOM 344 C GLU A 26 -11.755 -4.827 7.398 1.00 1.00 C ATOM 345 O GLU A 26 -11.761 -5.351 6.283 1.00 1.00 O ATOM 346 CB GLU A 26 -14.185 -4.272 7.803 1.00 1.00 C ATOM 347 CG GLU A 26 -15.505 -4.626 8.507 1.00 1.00 C ATOM 348 CD GLU A 26 -15.782 -6.138 8.576 1.00 1.00 C ATOM 349 OE1 GLU A 26 -15.864 -6.800 7.515 1.00 1.00 O ATOM 350 OE2 GLU A 26 -15.946 -6.656 9.707 1.00 1.00 O ATOM 0 H GLU A 26 -13.172 -3.786 10.031 1.00 1.00 H new ATOM 0 HA GLU A 26 -13.155 -6.092 8.373 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -14.013 -3.200 7.897 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -14.285 -4.487 6.739 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -15.486 -4.222 9.519 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -16.328 -4.138 7.984 1.00 1.00 H new ATOM 357 N ASN A 27 -10.724 -4.090 7.827 1.00 1.00 N ATOM 358 CA ASN A 27 -9.524 -3.774 7.041 1.00 1.00 C ATOM 359 C ASN A 27 -8.223 -4.005 7.843 1.00 1.00 C ATOM 360 O ASN A 27 -7.257 -3.248 7.722 1.00 1.00 O ATOM 361 CB ASN A 27 -9.651 -2.328 6.539 1.00 1.00 C ATOM 362 CG ASN A 27 -10.865 -2.086 5.663 1.00 1.00 C ATOM 363 OD1 ASN A 27 -10.858 -2.322 4.464 1.00 1.00 O ATOM 364 ND2 ASN A 27 -11.942 -1.600 6.239 1.00 1.00 N ATOM 0 H ASN A 27 -10.701 -3.683 8.762 1.00 1.00 H new ATOM 0 HA ASN A 27 -9.456 -4.450 6.189 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -9.696 -1.658 7.398 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -8.753 -2.068 5.978 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -12.779 -1.418 5.685 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -11.941 -1.405 7.240 1.00 1.00 H new ATOM 371 N SER A 28 -8.194 -5.043 8.686 1.00 1.00 N ATOM 372 CA SER A 28 -7.067 -5.397 9.570 1.00 1.00 C ATOM 373 C SER A 28 -5.711 -5.593 8.867 1.00 1.00 C ATOM 374 O SER A 28 -4.660 -5.550 9.511 1.00 1.00 O ATOM 375 CB SER A 28 -7.431 -6.646 10.381 1.00 1.00 C ATOM 376 OG SER A 28 -7.709 -7.740 9.520 1.00 1.00 O ATOM 0 H SER A 28 -8.981 -5.686 8.778 1.00 1.00 H new ATOM 0 HA SER A 28 -6.918 -4.533 10.218 1.00 1.00 H new ATOM 0 HB2 SER A 28 -6.610 -6.903 11.050 1.00 1.00 H new ATOM 0 HB3 SER A 28 -8.299 -6.439 11.006 1.00 1.00 H new ATOM 0 HG SER A 28 -7.937 -8.528 10.056 1.00 1.00 H new ATOM 382 N HIS A 29 -5.715 -5.775 7.544 1.00 1.00 N ATOM 383 CA HIS A 29 -4.535 -5.914 6.685 1.00 1.00 C ATOM 384 C HIS A 29 -3.892 -4.568 6.288 1.00 1.00 C ATOM 385 O HIS A 29 -2.756 -4.564 5.809 1.00 1.00 O ATOM 386 CB HIS A 29 -4.940 -6.717 5.437 1.00 1.00 C ATOM 387 CG HIS A 29 -5.983 -6.061 4.557 1.00 1.00 C ATOM 388 ND1 HIS A 29 -7.234 -5.586 4.971 1.00 1.00 N ATOM 389 CD2 HIS A 29 -5.863 -5.857 3.213 1.00 1.00 C ATOM 390 CE1 HIS A 29 -7.829 -5.101 3.867 1.00 1.00 C ATOM 391 NE2 HIS A 29 -7.027 -5.250 2.799 1.00 1.00 N ATOM 0 H HIS A 29 -6.586 -5.832 7.016 1.00 1.00 H new ATOM 0 HA HIS A 29 -3.767 -6.438 7.254 1.00 1.00 H new ATOM 0 HB2 HIS A 29 -4.048 -6.902 4.839 1.00 1.00 H new ATOM 0 HB3 HIS A 29 -5.317 -7.689 5.757 1.00 1.00 H new ATOM 0 HD2 HIS A 29 -5.018 -6.121 2.594 1.00 1.00 H new ATOM 0 HE1 HIS A 29 -8.812 -4.655 3.842 1.00 1.00 H new ATOM 0 HE2 HIS A 29 -7.244 -4.962 1.845 1.00 1.00 H new ATOM 399 N ILE A 30 -4.589 -3.436 6.480 1.00 1.00 N ATOM 400 CA ILE A 30 -4.133 -2.073 6.113 1.00 1.00 C ATOM 401 C ILE A 30 -4.375 -0.995 7.190 1.00 1.00 C ATOM 402 O ILE A 30 -3.786 0.087 7.110 1.00 1.00 O ATOM 403 CB ILE A 30 -4.742 -1.635 4.760 1.00 1.00 C ATOM 404 CG1 ILE A 30 -6.287 -1.620 4.805 1.00 1.00 C ATOM 405 CG2 ILE A 30 -4.199 -2.512 3.620 1.00 1.00 C ATOM 406 CD1 ILE A 30 -6.968 -1.138 3.519 1.00 1.00 C ATOM 0 H ILE A 30 -5.515 -3.438 6.908 1.00 1.00 H new ATOM 0 HA ILE A 30 -3.050 -2.152 6.024 1.00 1.00 H new ATOM 0 HB ILE A 30 -4.435 -0.608 4.563 1.00 1.00 H new ATOM 0 HG12 ILE A 30 -6.639 -2.627 5.029 1.00 1.00 H new ATOM 0 HG13 ILE A 30 -6.605 -0.981 5.628 1.00 1.00 H new ATOM 0 HG21 ILE A 30 -4.637 -2.192 2.674 1.00 1.00 H new ATOM 0 HG22 ILE A 30 -3.115 -2.413 3.570 1.00 1.00 H new ATOM 0 HG23 ILE A 30 -4.460 -3.554 3.806 1.00 1.00 H new ATOM 0 HD11 ILE A 30 -8.050 -1.163 3.649 1.00 1.00 H new ATOM 0 HD12 ILE A 30 -6.652 -0.118 3.301 1.00 1.00 H new ATOM 0 HD13 ILE A 30 -6.686 -1.790 2.692 1.00 1.00 H new ATOM 418 N PHE A 31 -5.179 -1.283 8.216 1.00 1.00 N ATOM 419 CA PHE A 31 -5.468 -0.413 9.364 1.00 1.00 C ATOM 420 C PHE A 31 -5.235 -1.189 10.672 1.00 1.00 C ATOM 421 O PHE A 31 -5.383 -2.412 10.721 1.00 1.00 O ATOM 422 CB PHE A 31 -6.940 0.045 9.354 1.00 1.00 C ATOM 423 CG PHE A 31 -7.483 0.811 8.158 1.00 1.00 C ATOM 424 CD1 PHE A 31 -6.665 1.601 7.326 1.00 1.00 C ATOM 425 CD2 PHE A 31 -8.865 0.750 7.903 1.00 1.00 C ATOM 426 CE1 PHE A 31 -7.218 2.249 6.206 1.00 1.00 C ATOM 427 CE2 PHE A 31 -9.413 1.375 6.770 1.00 1.00 C ATOM 428 CZ PHE A 31 -8.584 2.108 5.911 1.00 1.00 C ATOM 0 H PHE A 31 -5.672 -2.174 8.274 1.00 1.00 H new ATOM 0 HA PHE A 31 -4.810 0.454 9.297 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -7.558 -0.844 9.479 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.093 0.667 10.236 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -5.614 1.709 7.548 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -9.511 0.217 8.585 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -6.590 2.857 5.571 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -10.469 1.291 6.562 1.00 1.00 H new ATOM 0 HZ PHE A 31 -8.995 2.564 5.023 1.00 1.00 H new ATOM 438 N SER A 32 -4.908 -0.475 11.746 1.00 1.00 N ATOM 439 CA SER A 32 -4.715 -1.030 13.094 1.00 1.00 C ATOM 440 C SER A 32 -4.936 0.035 14.174 1.00 1.00 C ATOM 441 O SER A 32 -4.919 1.237 13.896 1.00 1.00 O ATOM 442 CB SER A 32 -3.317 -1.651 13.229 1.00 1.00 C ATOM 443 OG SER A 32 -2.308 -0.661 13.200 1.00 1.00 O ATOM 0 H SER A 32 -4.765 0.534 11.707 1.00 1.00 H new ATOM 0 HA SER A 32 -5.459 -1.813 13.240 1.00 1.00 H new ATOM 0 HB2 SER A 32 -3.254 -2.210 14.163 1.00 1.00 H new ATOM 0 HB3 SER A 32 -3.154 -2.363 12.420 1.00 1.00 H new ATOM 0 HG SER A 32 -2.513 -0.006 12.500 1.00 1.00 H new ATOM 449 N ASP A 33 -5.123 -0.396 15.423 1.00 1.00 N ATOM 450 CA ASP A 33 -5.335 0.491 16.577 1.00 1.00 C ATOM 451 C ASP A 33 -4.165 1.457 16.864 1.00 1.00 C ATOM 452 O ASP A 33 -4.347 2.425 17.604 1.00 1.00 O ATOM 453 CB ASP A 33 -5.609 -0.361 17.824 1.00 1.00 C ATOM 454 CG ASP A 33 -6.983 -1.036 17.758 1.00 1.00 C ATOM 455 OD1 ASP A 33 -7.987 -0.348 18.054 1.00 1.00 O ATOM 456 OD2 ASP A 33 -7.054 -2.243 17.425 1.00 1.00 O ATOM 0 H ASP A 33 -5.132 -1.386 15.669 1.00 1.00 H new ATOM 0 HA ASP A 33 -6.189 1.120 16.325 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -4.834 -1.121 17.923 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -5.554 0.267 18.713 1.00 1.00 H new ATOM 461 N THR A 34 -2.975 1.202 16.301 1.00 1.00 N ATOM 462 CA THR A 34 -1.748 1.990 16.527 1.00 1.00 C ATOM 463 C THR A 34 -1.059 2.500 15.255 1.00 1.00 C ATOM 464 O THR A 34 -0.077 3.235 15.364 1.00 1.00 O ATOM 465 CB THR A 34 -0.737 1.205 17.381 1.00 1.00 C ATOM 466 OG1 THR A 34 -0.438 -0.037 16.772 1.00 1.00 O ATOM 467 CG2 THR A 34 -1.263 0.923 18.790 1.00 1.00 C ATOM 0 H THR A 34 -2.832 0.422 15.659 1.00 1.00 H new ATOM 0 HA THR A 34 -2.090 2.877 17.060 1.00 1.00 H new ATOM 0 HB THR A 34 0.154 1.828 17.454 1.00 1.00 H new ATOM 0 HG1 THR A 34 0.207 -0.525 17.325 1.00 1.00 H new ATOM 0 HG21 THR A 34 -0.514 0.367 19.354 1.00 1.00 H new ATOM 0 HG22 THR A 34 -1.472 1.866 19.296 1.00 1.00 H new ATOM 0 HG23 THR A 34 -2.179 0.335 18.726 1.00 1.00 H new ATOM 475 N GLN A 35 -1.544 2.172 14.050 1.00 1.00 N ATOM 476 CA GLN A 35 -0.967 2.647 12.782 1.00 1.00 C ATOM 477 C GLN A 35 -1.925 2.478 11.587 1.00 1.00 C ATOM 478 O GLN A 35 -2.481 1.398 11.374 1.00 1.00 O ATOM 479 CB GLN A 35 0.338 1.861 12.504 1.00 1.00 C ATOM 480 CG GLN A 35 1.131 2.364 11.283 1.00 1.00 C ATOM 481 CD GLN A 35 2.348 1.489 10.981 1.00 1.00 C ATOM 482 OE1 GLN A 35 2.238 0.300 10.708 1.00 1.00 O ATOM 483 NE2 GLN A 35 3.548 2.029 10.995 1.00 1.00 N ATOM 0 H GLN A 35 -2.354 1.565 13.925 1.00 1.00 H new ATOM 0 HA GLN A 35 -0.773 3.714 12.888 1.00 1.00 H new ATOM 0 HB2 GLN A 35 0.977 1.916 13.386 1.00 1.00 H new ATOM 0 HB3 GLN A 35 0.091 0.810 12.355 1.00 1.00 H new ATOM 0 HG2 GLN A 35 0.477 2.386 10.411 1.00 1.00 H new ATOM 0 HG3 GLN A 35 1.458 3.388 11.462 1.00 1.00 H new ATOM 0 HE21 GLN A 35 3.660 3.018 11.220 1.00 1.00 H new ATOM 0 HE22 GLN A 35 4.366 1.459 10.781 1.00 1.00 H new ATOM 492 N CYS A 36 -2.023 3.508 10.743 1.00 1.00 N ATOM 493 CA CYS A 36 -2.745 3.452 9.465 1.00 1.00 C ATOM 494 C CYS A 36 -1.696 3.308 8.353 1.00 1.00 C ATOM 495 O CYS A 36 -0.884 4.214 8.146 1.00 1.00 O ATOM 496 CB CYS A 36 -3.581 4.718 9.242 1.00 1.00 C ATOM 497 SG CYS A 36 -4.494 4.697 7.673 1.00 1.00 S ATOM 0 H CYS A 36 -1.599 4.417 10.928 1.00 1.00 H new ATOM 0 HA CYS A 36 -3.435 2.608 9.465 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -4.287 4.831 10.065 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -2.925 5.588 9.263 1.00 1.00 H new ATOM 0 HG CYS A 36 -4.403 5.861 7.102 1.00 1.00 H new ATOM 502 N LYS A 37 -1.687 2.177 7.637 1.00 1.00 N ATOM 503 CA LYS A 37 -0.683 1.899 6.591 1.00 1.00 C ATOM 504 C LYS A 37 -1.035 2.497 5.222 1.00 1.00 C ATOM 505 O LYS A 37 -0.133 2.735 4.422 1.00 1.00 O ATOM 506 CB LYS A 37 -0.387 0.387 6.519 1.00 1.00 C ATOM 507 CG LYS A 37 0.106 -0.197 7.864 1.00 1.00 C ATOM 508 CD LYS A 37 -0.995 -0.923 8.660 1.00 1.00 C ATOM 509 CE LYS A 37 -0.619 -1.288 10.105 1.00 1.00 C ATOM 510 NZ LYS A 37 0.672 -2.015 10.214 1.00 1.00 N ATOM 0 H LYS A 37 -2.370 1.430 7.762 1.00 1.00 H new ATOM 0 HA LYS A 37 0.233 2.412 6.885 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -1.290 -0.140 6.209 1.00 1.00 H new ATOM 0 HB3 LYS A 37 0.367 0.206 5.753 1.00 1.00 H new ATOM 0 HG2 LYS A 37 0.923 -0.893 7.671 1.00 1.00 H new ATOM 0 HG3 LYS A 37 0.512 0.610 8.474 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -1.884 -0.292 8.680 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -1.264 -1.836 8.129 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -0.565 -0.376 10.700 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -1.411 -1.902 10.534 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.620 -2.700 10.995 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 0.863 -2.518 9.324 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 1.438 -1.336 10.400 1.00 1.00 H new ATOM 524 N VAL A 38 -2.309 2.819 4.963 1.00 1.00 N ATOM 525 CA VAL A 38 -2.739 3.519 3.726 1.00 1.00 C ATOM 526 C VAL A 38 -2.213 4.961 3.713 1.00 1.00 C ATOM 527 O VAL A 38 -1.827 5.493 2.671 1.00 1.00 O ATOM 528 CB VAL A 38 -4.277 3.525 3.583 1.00 1.00 C ATOM 529 CG1 VAL A 38 -4.738 4.228 2.301 1.00 1.00 C ATOM 530 CG2 VAL A 38 -4.818 2.094 3.549 1.00 1.00 C ATOM 0 H VAL A 38 -3.077 2.606 5.599 1.00 1.00 H new ATOM 0 HA VAL A 38 -2.319 2.974 2.881 1.00 1.00 H new ATOM 0 HB VAL A 38 -4.662 4.067 4.447 1.00 1.00 H new ATOM 0 HG11 VAL A 38 -5.826 4.206 2.245 1.00 1.00 H new ATOM 0 HG12 VAL A 38 -4.396 5.263 2.310 1.00 1.00 H new ATOM 0 HG13 VAL A 38 -4.320 3.715 1.435 1.00 1.00 H new ATOM 0 HG21 VAL A 38 -5.903 2.118 3.448 1.00 1.00 H new ATOM 0 HG22 VAL A 38 -4.386 1.562 2.702 1.00 1.00 H new ATOM 0 HG23 VAL A 38 -4.551 1.582 4.473 1.00 1.00 H new ATOM 540 N CYS A 39 -2.169 5.596 4.887 1.00 1.00 N ATOM 541 CA CYS A 39 -1.699 6.962 5.096 1.00 1.00 C ATOM 542 C CYS A 39 -0.289 7.016 5.726 1.00 1.00 C ATOM 543 O CYS A 39 0.189 8.099 6.064 1.00 1.00 O ATOM 544 CB CYS A 39 -2.750 7.645 5.969 1.00 1.00 C ATOM 545 SG CYS A 39 -4.419 7.628 5.254 1.00 1.00 S ATOM 0 H CYS A 39 -2.474 5.151 5.753 1.00 1.00 H new ATOM 0 HA CYS A 39 -1.588 7.479 4.143 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -2.776 7.153 6.942 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -2.449 8.678 6.142 1.00 1.00 H new ATOM 0 HG CYS A 39 -5.285 7.346 6.181 1.00 1.00 H new ATOM 550 N SER A 40 0.364 5.853 5.875 1.00 1.00 N ATOM 551 CA SER A 40 1.692 5.627 6.473 1.00 1.00 C ATOM 552 C SER A 40 1.969 6.513 7.697 1.00 1.00 C ATOM 553 O SER A 40 2.942 7.271 7.741 1.00 1.00 O ATOM 554 CB SER A 40 2.799 5.741 5.413 1.00 1.00 C ATOM 555 OG SER A 40 2.580 4.827 4.350 1.00 1.00 O ATOM 0 H SER A 40 -0.053 4.978 5.557 1.00 1.00 H new ATOM 0 HA SER A 40 1.693 4.605 6.852 1.00 1.00 H new ATOM 0 HB2 SER A 40 2.830 6.758 5.022 1.00 1.00 H new ATOM 0 HB3 SER A 40 3.768 5.546 5.872 1.00 1.00 H new ATOM 0 HG SER A 40 3.296 4.919 3.687 1.00 1.00 H new ATOM 561 N ALA A 41 1.075 6.428 8.684 1.00 1.00 N ATOM 562 CA ALA A 41 1.102 7.241 9.901 1.00 1.00 C ATOM 563 C ALA A 41 0.836 6.417 11.170 1.00 1.00 C ATOM 564 O ALA A 41 -0.041 5.550 11.199 1.00 1.00 O ATOM 565 CB ALA A 41 0.064 8.362 9.748 1.00 1.00 C ATOM 0 H ALA A 41 0.292 5.775 8.658 1.00 1.00 H new ATOM 0 HA ALA A 41 2.102 7.658 10.022 1.00 1.00 H new ATOM 0 HB1 ALA A 41 0.065 8.983 10.644 1.00 1.00 H new ATOM 0 HB2 ALA A 41 0.315 8.974 8.882 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -0.925 7.926 9.610 1.00 1.00 H new ATOM 571 N VAL A 42 1.585 6.717 12.235 1.00 1.00 N ATOM 572 CA VAL A 42 1.464 6.067 13.550 1.00 1.00 C ATOM 573 C VAL A 42 0.409 6.800 14.386 1.00 1.00 C ATOM 574 O VAL A 42 0.233 8.016 14.283 1.00 1.00 O ATOM 575 CB VAL A 42 2.835 6.034 14.266 1.00 1.00 C ATOM 576 CG1 VAL A 42 2.781 5.399 15.662 1.00 1.00 C ATOM 577 CG2 VAL A 42 3.849 5.221 13.447 1.00 1.00 C ATOM 0 H VAL A 42 2.310 7.434 12.210 1.00 1.00 H new ATOM 0 HA VAL A 42 1.142 5.034 13.418 1.00 1.00 H new ATOM 0 HB VAL A 42 3.131 7.078 14.364 1.00 1.00 H new ATOM 0 HG11 VAL A 42 3.777 5.409 16.105 1.00 1.00 H new ATOM 0 HG12 VAL A 42 2.097 5.966 16.293 1.00 1.00 H new ATOM 0 HG13 VAL A 42 2.431 4.370 15.580 1.00 1.00 H new ATOM 0 HG21 VAL A 42 4.808 5.208 13.965 1.00 1.00 H new ATOM 0 HG22 VAL A 42 3.486 4.200 13.329 1.00 1.00 H new ATOM 0 HG23 VAL A 42 3.973 5.678 12.465 1.00 1.00 H new ATOM 587 N LEU A 43 -0.308 6.037 15.209 1.00 1.00 N ATOM 588 CA LEU A 43 -1.441 6.453 16.036 1.00 1.00 C ATOM 589 C LEU A 43 -1.123 6.127 17.507 1.00 1.00 C ATOM 590 O LEU A 43 -1.582 5.132 18.066 1.00 1.00 O ATOM 591 CB LEU A 43 -2.715 5.764 15.487 1.00 1.00 C ATOM 592 CG LEU A 43 -2.949 5.944 13.971 1.00 1.00 C ATOM 593 CD1 LEU A 43 -4.092 5.057 13.487 1.00 1.00 C ATOM 594 CD2 LEU A 43 -3.257 7.394 13.606 1.00 1.00 C ATOM 0 H LEU A 43 -0.099 5.045 15.324 1.00 1.00 H new ATOM 0 HA LEU A 43 -1.622 7.527 15.995 1.00 1.00 H new ATOM 0 HB2 LEU A 43 -2.658 4.698 15.707 1.00 1.00 H new ATOM 0 HB3 LEU A 43 -3.581 6.154 16.022 1.00 1.00 H new ATOM 0 HG LEU A 43 -2.022 5.652 13.478 1.00 1.00 H new ATOM 0 HD11 LEU A 43 -4.237 5.202 12.416 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -3.850 4.012 13.682 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -5.007 5.322 14.016 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -3.414 7.473 12.530 1.00 1.00 H new ATOM 0 HD22 LEU A 43 -4.157 7.718 14.129 1.00 1.00 H new ATOM 0 HD23 LEU A 43 -2.420 8.028 13.898 1.00 1.00 H new ATOM 606 N ILE A 44 -0.255 6.951 18.106 1.00 1.00 N ATOM 607 CA ILE A 44 0.301 6.804 19.469 1.00 1.00 C ATOM 608 C ILE A 44 -0.717 6.642 20.620 1.00 1.00 C ATOM 609 O ILE A 44 -0.343 6.176 21.698 1.00 1.00 O ATOM 610 CB ILE A 44 1.295 7.949 19.777 1.00 1.00 C ATOM 611 CG1 ILE A 44 0.602 9.330 19.794 1.00 1.00 C ATOM 612 CG2 ILE A 44 2.476 7.907 18.787 1.00 1.00 C ATOM 613 CD1 ILE A 44 1.519 10.487 20.214 1.00 1.00 C ATOM 0 H ILE A 44 0.101 7.783 17.635 1.00 1.00 H new ATOM 0 HA ILE A 44 0.814 5.843 19.439 1.00 1.00 H new ATOM 0 HB ILE A 44 1.688 7.796 20.782 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.205 9.538 18.800 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -0.248 9.289 20.475 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.169 8.717 19.013 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.993 6.952 18.877 1.00 1.00 H new ATOM 0 HG23 ILE A 44 2.102 8.023 17.770 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.957 11.421 20.200 1.00 1.00 H new ATOM 0 HD12 ILE A 44 1.896 10.306 21.221 1.00 1.00 H new ATOM 0 HD13 ILE A 44 2.357 10.558 19.520 1.00 1.00 H new ATOM 625 N SER A 45 -1.988 6.991 20.407 1.00 1.00 N ATOM 626 CA SER A 45 -3.084 6.844 21.374 1.00 1.00 C ATOM 627 C SER A 45 -4.430 6.733 20.652 1.00 1.00 C ATOM 628 O SER A 45 -4.555 7.124 19.487 1.00 1.00 O ATOM 629 CB SER A 45 -3.110 8.041 22.334 1.00 1.00 C ATOM 630 OG SER A 45 -3.989 7.789 23.421 1.00 1.00 O ATOM 0 H SER A 45 -2.296 7.399 19.524 1.00 1.00 H new ATOM 0 HA SER A 45 -2.915 5.931 21.944 1.00 1.00 H new ATOM 0 HB2 SER A 45 -2.105 8.236 22.709 1.00 1.00 H new ATOM 0 HB3 SER A 45 -3.430 8.936 21.800 1.00 1.00 H new ATOM 0 HG SER A 45 -3.993 8.561 24.025 1.00 1.00 H new ATOM 636 N GLU A 46 -5.459 6.237 21.340 1.00 1.00 N ATOM 637 CA GLU A 46 -6.820 6.114 20.800 1.00 1.00 C ATOM 638 C GLU A 46 -7.375 7.463 20.318 1.00 1.00 C ATOM 639 O GLU A 46 -8.032 7.498 19.285 1.00 1.00 O ATOM 640 CB GLU A 46 -7.733 5.448 21.839 1.00 1.00 C ATOM 641 CG GLU A 46 -9.136 5.181 21.282 1.00 1.00 C ATOM 642 CD GLU A 46 -9.801 4.002 22.002 1.00 1.00 C ATOM 643 OE1 GLU A 46 -10.441 4.217 23.060 1.00 1.00 O ATOM 644 OE2 GLU A 46 -9.709 2.866 21.475 1.00 1.00 O ATOM 0 H GLU A 46 -5.373 5.904 22.300 1.00 1.00 H new ATOM 0 HA GLU A 46 -6.784 5.476 19.917 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -7.287 4.508 22.164 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -7.808 6.087 22.719 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -9.751 6.074 21.395 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -9.073 4.970 20.214 1.00 1.00 H new ATOM 651 N SER A 47 -7.070 8.586 20.977 1.00 1.00 N ATOM 652 CA SER A 47 -7.507 9.912 20.505 1.00 1.00 C ATOM 653 C SER A 47 -6.925 10.260 19.127 1.00 1.00 C ATOM 654 O SER A 47 -7.656 10.748 18.260 1.00 1.00 O ATOM 655 CB SER A 47 -7.175 10.995 21.532 1.00 1.00 C ATOM 656 OG SER A 47 -5.800 10.963 21.883 1.00 1.00 O ATOM 0 H SER A 47 -6.523 8.607 21.838 1.00 1.00 H new ATOM 0 HA SER A 47 -8.590 9.869 20.390 1.00 1.00 H new ATOM 0 HB2 SER A 47 -7.427 11.975 21.126 1.00 1.00 H new ATOM 0 HB3 SER A 47 -7.785 10.853 22.424 1.00 1.00 H new ATOM 0 HG SER A 47 -5.614 11.666 22.540 1.00 1.00 H new ATOM 662 N GLN A 48 -5.647 9.941 18.873 1.00 1.00 N ATOM 663 CA GLN A 48 -5.029 10.110 17.551 1.00 1.00 C ATOM 664 C GLN A 48 -5.656 9.138 16.544 1.00 1.00 C ATOM 665 O GLN A 48 -5.942 9.537 15.415 1.00 1.00 O ATOM 666 CB GLN A 48 -3.502 9.906 17.599 1.00 1.00 C ATOM 667 CG GLN A 48 -2.734 11.164 18.032 1.00 1.00 C ATOM 668 CD GLN A 48 -2.943 11.525 19.500 1.00 1.00 C ATOM 669 OE1 GLN A 48 -2.539 10.807 20.402 1.00 1.00 O ATOM 670 NE2 GLN A 48 -3.561 12.647 19.802 1.00 1.00 N ATOM 0 H GLN A 48 -5.015 9.560 19.577 1.00 1.00 H new ATOM 0 HA GLN A 48 -5.217 11.135 17.232 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -3.273 9.093 18.288 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -3.153 9.597 16.614 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -1.670 11.012 17.851 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -3.046 12.003 17.411 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -3.904 13.256 19.059 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -3.697 12.907 20.779 1.00 1.00 H new ATOM 679 N LYS A 49 -5.913 7.880 16.942 1.00 1.00 N ATOM 680 CA LYS A 49 -6.559 6.876 16.079 1.00 1.00 C ATOM 681 C LYS A 49 -7.954 7.341 15.645 1.00 1.00 C ATOM 682 O LYS A 49 -8.264 7.322 14.456 1.00 1.00 O ATOM 683 CB LYS A 49 -6.521 5.478 16.764 1.00 1.00 C ATOM 684 CG LYS A 49 -7.887 4.836 17.068 1.00 1.00 C ATOM 685 CD LYS A 49 -7.815 3.489 17.799 1.00 1.00 C ATOM 686 CE LYS A 49 -9.268 3.057 18.016 1.00 1.00 C ATOM 687 NZ LYS A 49 -9.424 1.861 18.876 1.00 1.00 N ATOM 0 H LYS A 49 -5.679 7.531 17.871 1.00 1.00 H new ATOM 0 HA LYS A 49 -6.000 6.767 15.150 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -5.957 4.798 16.126 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -5.969 5.569 17.699 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.473 5.530 17.671 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -8.424 4.696 16.130 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -7.271 2.752 17.208 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -7.290 3.587 18.749 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.819 3.885 18.462 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -9.724 2.856 17.047 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -10.343 1.414 18.685 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -8.661 1.185 18.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.378 2.144 19.876 1.00 1.00 H new ATOM 701 N LEU A 50 -8.768 7.819 16.588 1.00 1.00 N ATOM 702 CA LEU A 50 -10.116 8.324 16.330 1.00 1.00 C ATOM 703 C LEU A 50 -10.074 9.534 15.392 1.00 1.00 C ATOM 704 O LEU A 50 -10.789 9.550 14.395 1.00 1.00 O ATOM 705 CB LEU A 50 -10.830 8.647 17.661 1.00 1.00 C ATOM 706 CG LEU A 50 -11.214 7.417 18.515 1.00 1.00 C ATOM 707 CD1 LEU A 50 -11.936 7.864 19.785 1.00 1.00 C ATOM 708 CD2 LEU A 50 -12.135 6.435 17.795 1.00 1.00 C ATOM 0 H LEU A 50 -8.502 7.866 17.572 1.00 1.00 H new ATOM 0 HA LEU A 50 -10.693 7.549 15.825 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -10.184 9.294 18.254 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -11.735 9.214 17.442 1.00 1.00 H new ATOM 0 HG LEU A 50 -10.274 6.911 18.734 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -12.202 6.990 20.379 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -11.281 8.513 20.367 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -12.841 8.409 19.516 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -12.362 5.598 18.455 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -13.061 6.940 17.519 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -11.641 6.065 16.896 1.00 1.00 H new ATOM 720 N ALA A 51 -9.210 10.516 15.658 1.00 1.00 N ATOM 721 CA ALA A 51 -9.071 11.683 14.790 1.00 1.00 C ATOM 722 C ALA A 51 -8.603 11.318 13.370 1.00 1.00 C ATOM 723 O ALA A 51 -9.159 11.831 12.399 1.00 1.00 O ATOM 724 CB ALA A 51 -8.129 12.688 15.462 1.00 1.00 C ATOM 0 H ALA A 51 -8.595 10.524 16.471 1.00 1.00 H new ATOM 0 HA ALA A 51 -10.053 12.137 14.659 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -8.017 13.564 14.824 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -8.545 12.990 16.423 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -7.154 12.225 15.618 1.00 1.00 H new ATOM 730 N HIS A 52 -7.619 10.422 13.228 1.00 1.00 N ATOM 731 CA HIS A 52 -7.116 10.011 11.919 1.00 1.00 C ATOM 732 C HIS A 52 -8.167 9.239 11.108 1.00 1.00 C ATOM 733 O HIS A 52 -8.447 9.610 9.971 1.00 1.00 O ATOM 734 CB HIS A 52 -5.841 9.174 12.098 1.00 1.00 C ATOM 735 CG HIS A 52 -5.136 8.889 10.793 1.00 1.00 C ATOM 736 ND1 HIS A 52 -4.000 9.516 10.327 1.00 1.00 N ATOM 737 CD2 HIS A 52 -5.528 7.998 9.828 1.00 1.00 C ATOM 738 CE1 HIS A 52 -3.724 9.028 9.106 1.00 1.00 C ATOM 739 NE2 HIS A 52 -4.633 8.105 8.758 1.00 1.00 N ATOM 0 H HIS A 52 -7.154 9.966 14.013 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.883 10.911 11.350 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -5.159 9.699 12.766 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -6.097 8.231 12.580 1.00 1.00 H new ATOM 0 HD1 HIS A 52 -3.462 10.227 10.823 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -6.376 7.332 9.884 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -2.890 9.335 8.493 1.00 1.00 H new ATOM 747 N TYR A 53 -8.789 8.199 11.677 1.00 1.00 N ATOM 748 CA TYR A 53 -9.790 7.387 10.966 1.00 1.00 C ATOM 749 C TYR A 53 -11.088 8.145 10.618 1.00 1.00 C ATOM 750 O TYR A 53 -11.834 7.705 9.741 1.00 1.00 O ATOM 751 CB TYR A 53 -10.048 6.074 11.727 1.00 1.00 C ATOM 752 CG TYR A 53 -8.881 5.093 11.687 1.00 1.00 C ATOM 753 CD1 TYR A 53 -8.421 4.604 10.450 1.00 1.00 C ATOM 754 CD2 TYR A 53 -8.254 4.658 12.871 1.00 1.00 C ATOM 755 CE1 TYR A 53 -7.305 3.750 10.385 1.00 1.00 C ATOM 756 CE2 TYR A 53 -7.147 3.788 12.817 1.00 1.00 C ATOM 757 CZ TYR A 53 -6.658 3.346 11.571 1.00 1.00 C ATOM 758 OH TYR A 53 -5.574 2.528 11.513 1.00 1.00 O ATOM 0 H TYR A 53 -8.616 7.897 12.636 1.00 1.00 H new ATOM 0 HA TYR A 53 -9.364 7.141 9.993 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -10.277 6.308 12.767 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -10.930 5.590 11.307 1.00 1.00 H new ATOM 0 HD1 TYR A 53 -8.930 4.887 9.541 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -8.625 4.994 13.828 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -6.944 3.404 9.428 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -6.673 3.460 13.730 1.00 1.00 H new ATOM 0 HH TYR A 53 -5.384 2.172 12.406 1.00 1.00 H new ATOM 768 N GLN A 54 -11.359 9.285 11.268 1.00 1.00 N ATOM 769 CA GLN A 54 -12.530 10.134 11.003 1.00 1.00 C ATOM 770 C GLN A 54 -12.223 11.336 10.075 1.00 1.00 C ATOM 771 O GLN A 54 -13.158 11.992 9.611 1.00 1.00 O ATOM 772 CB GLN A 54 -13.095 10.645 12.344 1.00 1.00 C ATOM 773 CG GLN A 54 -13.658 9.527 13.242 1.00 1.00 C ATOM 774 CD GLN A 54 -14.086 10.013 14.627 1.00 1.00 C ATOM 775 OE1 GLN A 54 -14.324 11.187 14.883 1.00 1.00 O ATOM 776 NE2 GLN A 54 -14.226 9.119 15.585 1.00 1.00 N ATOM 0 H GLN A 54 -10.759 9.651 12.007 1.00 1.00 H new ATOM 0 HA GLN A 54 -13.261 9.518 10.479 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -12.307 11.171 12.884 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -13.884 11.370 12.144 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -14.514 9.070 12.746 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -12.903 8.749 13.356 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -14.034 8.135 15.397 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -14.527 9.411 16.515 1.00 1.00 H new ATOM 785 N SER A 55 -10.949 11.662 9.810 1.00 1.00 N ATOM 786 CA SER A 55 -10.567 12.832 8.994 1.00 1.00 C ATOM 787 C SER A 55 -10.918 12.740 7.500 1.00 1.00 C ATOM 788 O SER A 55 -10.999 11.660 6.903 1.00 1.00 O ATOM 789 CB SER A 55 -9.075 13.175 9.162 1.00 1.00 C ATOM 790 OG SER A 55 -8.244 12.519 8.216 1.00 1.00 O ATOM 0 H SER A 55 -10.153 11.125 10.153 1.00 1.00 H new ATOM 0 HA SER A 55 -11.184 13.638 9.391 1.00 1.00 H new ATOM 0 HB2 SER A 55 -8.943 14.253 9.067 1.00 1.00 H new ATOM 0 HB3 SER A 55 -8.756 12.902 10.168 1.00 1.00 H new ATOM 0 HG SER A 55 -7.310 12.774 8.368 1.00 1.00 H new ATOM 796 N ARG A 56 -11.077 13.915 6.870 1.00 1.00 N ATOM 797 CA ARG A 56 -11.351 14.056 5.427 1.00 1.00 C ATOM 798 C ARG A 56 -10.151 13.628 4.573 1.00 1.00 C ATOM 799 O ARG A 56 -10.336 13.078 3.485 1.00 1.00 O ATOM 800 CB ARG A 56 -11.745 15.506 5.088 1.00 1.00 C ATOM 801 CG ARG A 56 -12.956 16.029 5.877 1.00 1.00 C ATOM 802 CD ARG A 56 -14.254 15.247 5.643 1.00 1.00 C ATOM 803 NE ARG A 56 -15.370 15.856 6.395 1.00 1.00 N ATOM 804 CZ ARG A 56 -16.235 16.760 5.964 1.00 1.00 C ATOM 805 NH1 ARG A 56 -16.227 17.210 4.741 1.00 1.00 N ATOM 806 NH2 ARG A 56 -17.137 17.242 6.772 1.00 1.00 N ATOM 0 H ARG A 56 -11.018 14.810 7.356 1.00 1.00 H new ATOM 0 HA ARG A 56 -12.184 13.393 5.192 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -10.892 16.157 5.279 1.00 1.00 H new ATOM 0 HB3 ARG A 56 -11.964 15.572 4.022 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -12.719 16.004 6.941 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -13.123 17.073 5.612 1.00 1.00 H new ATOM 0 HD2 ARG A 56 -14.490 15.233 4.579 1.00 1.00 H new ATOM 0 HD3 ARG A 56 -14.122 14.211 5.954 1.00 1.00 H new ATOM 0 HE ARG A 56 -15.488 15.543 7.359 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -15.536 16.865 4.075 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -16.912 17.907 4.450 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -17.178 16.923 7.740 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -17.802 17.939 6.437 1.00 1.00 H new ATOM 820 N LYS A 57 -8.925 13.854 5.065 1.00 1.00 N ATOM 821 CA LYS A 57 -7.665 13.484 4.394 1.00 1.00 C ATOM 822 C LYS A 57 -7.507 11.962 4.324 1.00 1.00 C ATOM 823 O LYS A 57 -7.213 11.426 3.256 1.00 1.00 O ATOM 824 CB LYS A 57 -6.493 14.156 5.136 1.00 1.00 C ATOM 825 CG LYS A 57 -5.133 14.058 4.421 1.00 1.00 C ATOM 826 CD LYS A 57 -5.121 14.772 3.058 1.00 1.00 C ATOM 827 CE LYS A 57 -3.699 15.024 2.532 1.00 1.00 C ATOM 828 NZ LYS A 57 -2.982 13.768 2.188 1.00 1.00 N ATOM 0 H LYS A 57 -8.775 14.311 5.964 1.00 1.00 H new ATOM 0 HA LYS A 57 -7.676 13.839 3.363 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -6.733 15.209 5.287 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -6.401 13.705 6.124 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -4.361 14.489 5.058 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -4.878 13.008 4.278 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -5.671 14.172 2.333 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -5.645 15.724 3.146 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -3.751 15.661 1.649 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -3.129 15.568 3.285 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -2.029 13.997 1.839 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -2.906 13.169 3.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -3.508 13.259 1.449 1.00 1.00 H new ATOM 842 N HIS A 58 -7.780 11.267 5.433 1.00 1.00 N ATOM 843 CA HIS A 58 -7.779 9.801 5.500 1.00 1.00 C ATOM 844 C HIS A 58 -8.834 9.222 4.557 1.00 1.00 C ATOM 845 O HIS A 58 -8.523 8.350 3.748 1.00 1.00 O ATOM 846 CB HIS A 58 -8.038 9.357 6.945 1.00 1.00 C ATOM 847 CG HIS A 58 -8.297 7.877 7.082 1.00 1.00 C ATOM 848 ND1 HIS A 58 -7.324 6.883 7.182 1.00 1.00 N ATOM 849 CD2 HIS A 58 -9.529 7.288 7.056 1.00 1.00 C ATOM 850 CE1 HIS A 58 -7.988 5.719 7.211 1.00 1.00 C ATOM 851 NE2 HIS A 58 -9.315 5.931 7.147 1.00 1.00 N ATOM 0 H HIS A 58 -8.011 11.712 6.321 1.00 1.00 H new ATOM 0 HA HIS A 58 -6.806 9.426 5.183 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -7.178 9.626 7.559 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -8.894 9.906 7.337 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -10.483 7.788 6.979 1.00 1.00 H new ATOM 0 HE1 HIS A 58 -7.523 4.747 7.277 1.00 1.00 H new ATOM 0 HE2 HIS A 58 -10.037 5.211 7.163 1.00 1.00 H new ATOM 859 N ALA A 59 -10.066 9.744 4.609 1.00 1.00 N ATOM 860 CA ALA A 59 -11.155 9.300 3.740 1.00 1.00 C ATOM 861 C ALA A 59 -10.796 9.444 2.250 1.00 1.00 C ATOM 862 O ALA A 59 -11.028 8.520 1.468 1.00 1.00 O ATOM 863 CB ALA A 59 -12.410 10.102 4.095 1.00 1.00 C ATOM 0 H ALA A 59 -10.332 10.486 5.256 1.00 1.00 H new ATOM 0 HA ALA A 59 -11.338 8.238 3.903 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -13.236 9.786 3.458 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -12.670 9.927 5.139 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -12.219 11.164 3.941 1.00 1.00 H new ATOM 869 N ASN A 60 -10.180 10.567 1.857 1.00 1.00 N ATOM 870 CA ASN A 60 -9.730 10.783 0.481 1.00 1.00 C ATOM 871 C ASN A 60 -8.640 9.782 0.068 1.00 1.00 C ATOM 872 O ASN A 60 -8.770 9.175 -0.999 1.00 1.00 O ATOM 873 CB ASN A 60 -9.269 12.240 0.302 1.00 1.00 C ATOM 874 CG ASN A 60 -10.420 13.125 -0.133 1.00 1.00 C ATOM 875 OD1 ASN A 60 -10.742 13.201 -1.312 1.00 1.00 O ATOM 876 ND2 ASN A 60 -11.097 13.771 0.786 1.00 1.00 N ATOM 0 H ASN A 60 -9.982 11.347 2.484 1.00 1.00 H new ATOM 0 HA ASN A 60 -10.573 10.605 -0.186 1.00 1.00 H new ATOM 0 HB2 ASN A 60 -8.854 12.611 1.239 1.00 1.00 H new ATOM 0 HB3 ASN A 60 -8.471 12.284 -0.440 1.00 1.00 H new ATOM 0 HD21 ASN A 60 -11.899 14.343 0.521 1.00 1.00 H new ATOM 0 HD22 ASN A 60 -10.821 13.702 1.766 1.00 1.00 H new ATOM 883 N LYS A 61 -7.607 9.565 0.900 1.00 1.00 N ATOM 884 CA LYS A 61 -6.545 8.580 0.614 1.00 1.00 C ATOM 885 C LYS A 61 -7.106 7.167 0.478 1.00 1.00 C ATOM 886 O LYS A 61 -6.765 6.475 -0.479 1.00 1.00 O ATOM 887 CB LYS A 61 -5.453 8.599 1.700 1.00 1.00 C ATOM 888 CG LYS A 61 -4.423 9.728 1.506 1.00 1.00 C ATOM 889 CD LYS A 61 -2.991 9.278 1.852 1.00 1.00 C ATOM 890 CE LYS A 61 -2.452 8.296 0.795 1.00 1.00 C ATOM 891 NZ LYS A 61 -1.095 7.787 1.117 1.00 1.00 N ATOM 0 H LYS A 61 -7.483 10.061 1.782 1.00 1.00 H new ATOM 0 HA LYS A 61 -6.101 8.870 -0.338 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -5.923 8.709 2.677 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -4.935 7.640 1.702 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -4.454 10.071 0.472 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -4.696 10.577 2.132 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -2.337 10.148 1.913 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -2.982 8.803 2.833 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.138 7.454 0.705 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -2.428 8.792 -0.175 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -0.585 7.578 0.235 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -0.573 8.507 1.657 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -1.175 6.919 1.685 1.00 1.00 H new ATOM 905 N VAL A 62 -7.992 6.751 1.386 1.00 1.00 N ATOM 906 CA VAL A 62 -8.640 5.431 1.332 1.00 1.00 C ATOM 907 C VAL A 62 -9.472 5.290 0.059 1.00 1.00 C ATOM 908 O VAL A 62 -9.358 4.269 -0.612 1.00 1.00 O ATOM 909 CB VAL A 62 -9.467 5.164 2.602 1.00 1.00 C ATOM 910 CG1 VAL A 62 -10.301 3.877 2.515 1.00 1.00 C ATOM 911 CG2 VAL A 62 -8.518 5.004 3.795 1.00 1.00 C ATOM 0 H VAL A 62 -8.283 7.318 2.182 1.00 1.00 H new ATOM 0 HA VAL A 62 -7.863 4.667 1.298 1.00 1.00 H new ATOM 0 HB VAL A 62 -10.143 6.011 2.716 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -10.862 3.744 3.440 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -10.995 3.949 1.677 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -9.639 3.024 2.366 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -9.098 4.815 4.698 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -7.844 4.167 3.614 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -7.936 5.917 3.922 1.00 1.00 H new ATOM 1397 N SER A 94 -8.370 -16.505 -4.906 1.00 1.00 N ATOM 1398 CA SER A 94 -7.312 -15.477 -4.784 1.00 1.00 C ATOM 1399 C SER A 94 -7.499 -14.151 -5.547 1.00 1.00 C ATOM 1400 O SER A 94 -6.992 -13.124 -5.097 1.00 1.00 O ATOM 1401 CB SER A 94 -5.934 -16.080 -5.085 1.00 1.00 C ATOM 1402 OG SER A 94 -5.707 -17.233 -4.286 1.00 1.00 O ATOM 0 HA SER A 94 -7.396 -15.171 -3.741 1.00 1.00 H new ATOM 0 HB2 SER A 94 -5.869 -16.344 -6.141 1.00 1.00 H new ATOM 0 HB3 SER A 94 -5.157 -15.340 -4.893 1.00 1.00 H new ATOM 0 HG SER A 94 -6.567 -17.621 -4.019 1.00 1.00 H new ATOM 1408 N LYS A 95 -8.226 -14.126 -6.671 1.00 1.00 N ATOM 1409 CA LYS A 95 -8.523 -12.906 -7.453 1.00 1.00 C ATOM 1410 C LYS A 95 -9.720 -12.128 -6.888 1.00 1.00 C ATOM 1411 O LYS A 95 -9.808 -10.909 -7.047 1.00 1.00 O ATOM 1412 CB LYS A 95 -8.776 -13.298 -8.916 1.00 1.00 C ATOM 1413 CG LYS A 95 -7.461 -13.712 -9.604 1.00 1.00 C ATOM 1414 CD LYS A 95 -7.641 -14.930 -10.511 1.00 1.00 C ATOM 1415 CE LYS A 95 -8.558 -14.643 -11.703 1.00 1.00 C ATOM 1416 NZ LYS A 95 -8.826 -15.881 -12.471 1.00 1.00 N ATOM 0 H LYS A 95 -8.636 -14.968 -7.076 1.00 1.00 H new ATOM 0 HA LYS A 95 -7.661 -12.242 -7.388 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -9.489 -14.121 -8.959 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -9.224 -12.460 -9.450 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -7.082 -12.876 -10.192 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -6.710 -13.934 -8.845 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -6.667 -15.254 -10.876 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -8.054 -15.754 -9.929 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -9.498 -14.218 -11.350 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -8.096 -13.900 -12.353 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -9.450 -15.663 -13.274 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -7.929 -16.271 -12.825 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -9.288 -16.579 -11.854 1.00 1.00 H new ATOM 1430 N CYS A 96 -10.636 -12.830 -6.220 1.00 1.00 N ATOM 1431 CA CYS A 96 -11.841 -12.277 -5.603 1.00 1.00 C ATOM 1432 C CYS A 96 -12.306 -13.066 -4.365 1.00 1.00 C ATOM 1433 O CYS A 96 -11.830 -14.170 -4.093 1.00 1.00 O ATOM 1434 CB CYS A 96 -12.939 -12.190 -6.680 1.00 1.00 C ATOM 1435 SG CYS A 96 -13.333 -13.828 -7.369 1.00 1.00 S ATOM 0 H CYS A 96 -10.555 -13.838 -6.089 1.00 1.00 H new ATOM 0 HA CYS A 96 -11.613 -11.281 -5.224 1.00 1.00 H new ATOM 0 HB2 CYS A 96 -13.838 -11.750 -6.249 1.00 1.00 H new ATOM 0 HB3 CYS A 96 -12.612 -11.527 -7.481 1.00 1.00 H new ATOM 0 HG CYS A 96 -14.263 -13.708 -8.269 1.00 1.00 H new ATOM 1441 N CYS A 97 -13.263 -12.481 -3.642 1.00 1.00 N ATOM 1442 CA CYS A 97 -13.910 -13.002 -2.438 1.00 1.00 C ATOM 1443 C CYS A 97 -15.430 -12.775 -2.600 1.00 1.00 C ATOM 1444 O CYS A 97 -15.916 -11.681 -2.300 1.00 1.00 O ATOM 1445 CB CYS A 97 -13.312 -12.283 -1.221 1.00 1.00 C ATOM 1446 SG CYS A 97 -13.998 -12.761 0.382 1.00 1.00 S ATOM 0 H CYS A 97 -13.632 -11.566 -3.902 1.00 1.00 H new ATOM 0 HA CYS A 97 -13.743 -14.069 -2.290 1.00 1.00 H new ATOM 0 HB2 CYS A 97 -12.237 -12.465 -1.205 1.00 1.00 H new ATOM 0 HB3 CYS A 97 -13.451 -11.210 -1.351 1.00 1.00 H new ATOM 0 HG CYS A 97 -13.415 -12.080 1.324 1.00 1.00 H new ATOM 1451 N PRO A 98 -16.189 -13.751 -3.142 1.00 1.00 N ATOM 1452 CA PRO A 98 -17.604 -13.575 -3.490 1.00 1.00 C ATOM 1453 C PRO A 98 -18.583 -13.427 -2.318 1.00 1.00 C ATOM 1454 O PRO A 98 -19.587 -12.732 -2.477 1.00 1.00 O ATOM 1455 CB PRO A 98 -17.956 -14.776 -4.377 1.00 1.00 C ATOM 1456 CG PRO A 98 -16.983 -15.860 -3.921 1.00 1.00 C ATOM 1457 CD PRO A 98 -15.727 -15.068 -3.566 1.00 1.00 C ATOM 0 HA PRO A 98 -17.719 -12.615 -3.993 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -18.992 -15.085 -4.240 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -17.830 -14.544 -5.434 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -17.367 -16.412 -3.064 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -16.792 -16.588 -4.709 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -15.167 -15.560 -2.771 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -15.059 -14.990 -4.424 1.00 1.00 H new ATOM 1465 N VAL A 99 -18.328 -14.018 -1.139 1.00 1.00 N ATOM 1466 CA VAL A 99 -19.238 -13.850 0.020 1.00 1.00 C ATOM 1467 C VAL A 99 -19.201 -12.398 0.509 1.00 1.00 C ATOM 1468 O VAL A 99 -20.246 -11.768 0.659 1.00 1.00 O ATOM 1469 CB VAL A 99 -18.947 -14.839 1.168 1.00 1.00 C ATOM 1470 CG1 VAL A 99 -19.899 -14.590 2.346 1.00 1.00 C ATOM 1471 CG2 VAL A 99 -19.142 -16.285 0.694 1.00 1.00 C ATOM 0 H VAL A 99 -17.516 -14.608 -0.958 1.00 1.00 H new ATOM 0 HA VAL A 99 -20.245 -14.085 -0.323 1.00 1.00 H new ATOM 0 HB VAL A 99 -17.915 -14.685 1.483 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -19.680 -15.296 3.147 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -19.765 -13.572 2.713 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -20.929 -14.724 2.016 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -18.932 -16.969 1.516 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -20.170 -16.423 0.360 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -18.462 -16.492 -0.132 1.00 1.00 H new ATOM 1481 N CYS A 100 -18.001 -11.841 0.677 1.00 1.00 N ATOM 1482 CA CYS A 100 -17.785 -10.433 1.033 1.00 1.00 C ATOM 1483 C CYS A 100 -17.993 -9.469 -0.164 1.00 1.00 C ATOM 1484 O CYS A 100 -18.019 -8.248 -0.003 1.00 1.00 O ATOM 1485 CB CYS A 100 -16.368 -10.315 1.588 1.00 1.00 C ATOM 1486 SG CYS A 100 -16.069 -11.301 3.089 1.00 1.00 S ATOM 0 H CYS A 100 -17.132 -12.365 0.568 1.00 1.00 H new ATOM 0 HA CYS A 100 -18.525 -10.136 1.777 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -15.661 -10.624 0.818 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -16.162 -9.267 1.808 1.00 1.00 H new ATOM 0 HG CYS A 100 -14.790 -11.386 3.305 1.00 1.00 H new ATOM 1491 N ASN A 101 -18.145 -10.046 -1.359 1.00 1.00 N ATOM 1492 CA ASN A 101 -18.369 -9.439 -2.673 1.00 1.00 C ATOM 1493 C ASN A 101 -17.350 -8.343 -3.050 1.00 1.00 C ATOM 1494 O ASN A 101 -17.697 -7.171 -3.222 1.00 1.00 O ATOM 1495 CB ASN A 101 -19.850 -9.031 -2.800 1.00 1.00 C ATOM 1496 CG ASN A 101 -20.239 -8.627 -4.216 1.00 1.00 C ATOM 1497 OD1 ASN A 101 -19.640 -9.032 -5.205 1.00 1.00 O ATOM 1498 ND2 ASN A 101 -21.265 -7.820 -4.366 1.00 1.00 N ATOM 0 H ASN A 101 -18.110 -11.062 -1.437 1.00 1.00 H new ATOM 0 HA ASN A 101 -18.171 -10.190 -3.438 1.00 1.00 H new ATOM 0 HB2 ASN A 101 -20.478 -9.862 -2.480 1.00 1.00 H new ATOM 0 HB3 ASN A 101 -20.051 -8.200 -2.123 1.00 1.00 H new ATOM 0 HD21 ASN A 101 -21.557 -7.535 -5.301 1.00 1.00 H new ATOM 0 HD22 ASN A 101 -21.769 -7.478 -3.548 1.00 1.00 H new ATOM 1505 N MET A 102 -16.079 -8.741 -3.177 1.00 1.00 N ATOM 1506 CA MET A 102 -14.960 -7.856 -3.545 1.00 1.00 C ATOM 1507 C MET A 102 -13.880 -8.562 -4.385 1.00 1.00 C ATOM 1508 O MET A 102 -13.874 -9.788 -4.517 1.00 1.00 O ATOM 1509 CB MET A 102 -14.375 -7.206 -2.276 1.00 1.00 C ATOM 1510 CG MET A 102 -13.800 -8.202 -1.261 1.00 1.00 C ATOM 1511 SD MET A 102 -13.153 -7.382 0.221 1.00 1.00 S ATOM 1512 CE MET A 102 -12.712 -8.829 1.213 1.00 1.00 C ATOM 0 H MET A 102 -15.790 -9.707 -3.024 1.00 1.00 H new ATOM 0 HA MET A 102 -15.355 -7.073 -4.193 1.00 1.00 H new ATOM 0 HB2 MET A 102 -13.589 -6.510 -2.569 1.00 1.00 H new ATOM 0 HB3 MET A 102 -15.155 -6.620 -1.790 1.00 1.00 H new ATOM 0 HG2 MET A 102 -14.576 -8.910 -0.971 1.00 1.00 H new ATOM 0 HG3 MET A 102 -13.003 -8.777 -1.732 1.00 1.00 H new ATOM 0 HE1 MET A 102 -12.034 -8.529 2.012 1.00 1.00 H new ATOM 0 HE2 MET A 102 -13.614 -9.262 1.645 1.00 1.00 H new ATOM 0 HE3 MET A 102 -12.222 -9.568 0.580 1.00 1.00 H new ATOM 1522 N THR A 103 -12.947 -7.781 -4.940 1.00 1.00 N ATOM 1523 CA THR A 103 -11.823 -8.239 -5.783 1.00 1.00 C ATOM 1524 C THR A 103 -10.476 -7.741 -5.240 1.00 1.00 C ATOM 1525 O THR A 103 -10.439 -6.826 -4.413 1.00 1.00 O ATOM 1526 CB THR A 103 -11.996 -7.810 -7.251 1.00 1.00 C ATOM 1527 OG1 THR A 103 -11.969 -6.405 -7.380 1.00 1.00 O ATOM 1528 CG2 THR A 103 -13.295 -8.295 -7.889 1.00 1.00 C ATOM 0 H THR A 103 -12.949 -6.769 -4.812 1.00 1.00 H new ATOM 0 HA THR A 103 -11.828 -9.328 -5.748 1.00 1.00 H new ATOM 0 HB THR A 103 -11.157 -8.275 -7.769 1.00 1.00 H new ATOM 0 HG1 THR A 103 -12.079 -6.161 -8.323 1.00 1.00 H new ATOM 0 HG21 THR A 103 -13.343 -7.952 -8.923 1.00 1.00 H new ATOM 0 HG22 THR A 103 -13.327 -9.384 -7.866 1.00 1.00 H new ATOM 0 HG23 THR A 103 -14.144 -7.895 -7.335 1.00 1.00 H new ATOM 1536 N PHE A 104 -9.366 -8.345 -5.679 1.00 1.00 N ATOM 1537 CA PHE A 104 -8.012 -8.015 -5.207 1.00 1.00 C ATOM 1538 C PHE A 104 -7.007 -7.795 -6.346 1.00 1.00 C ATOM 1539 O PHE A 104 -7.046 -8.480 -7.370 1.00 1.00 O ATOM 1540 CB PHE A 104 -7.498 -9.142 -4.298 1.00 1.00 C ATOM 1541 CG PHE A 104 -8.445 -9.609 -3.207 1.00 1.00 C ATOM 1542 CD1 PHE A 104 -8.680 -8.811 -2.072 1.00 1.00 C ATOM 1543 CD2 PHE A 104 -9.062 -10.870 -3.308 1.00 1.00 C ATOM 1544 CE1 PHE A 104 -9.490 -9.289 -1.026 1.00 1.00 C ATOM 1545 CE2 PHE A 104 -9.866 -11.353 -2.262 1.00 1.00 C ATOM 1546 CZ PHE A 104 -10.070 -10.567 -1.115 1.00 1.00 C ATOM 0 H PHE A 104 -9.380 -9.086 -6.380 1.00 1.00 H new ATOM 0 HA PHE A 104 -8.092 -7.074 -4.663 1.00 1.00 H new ATOM 0 HB2 PHE A 104 -7.247 -9.999 -4.923 1.00 1.00 H new ATOM 0 HB3 PHE A 104 -6.573 -8.808 -3.828 1.00 1.00 H new ATOM 0 HD1 PHE A 104 -8.237 -7.828 -2.004 1.00 1.00 H new ATOM 0 HD2 PHE A 104 -8.917 -11.470 -4.194 1.00 1.00 H new ATOM 0 HE1 PHE A 104 -9.666 -8.675 -0.155 1.00 1.00 H new ATOM 0 HE2 PHE A 104 -10.327 -12.327 -2.339 1.00 1.00 H new ATOM 0 HZ PHE A 104 -10.672 -10.944 -0.302 1.00 1.00 H new ATOM 1556 N SER A 105 -6.068 -6.865 -6.146 1.00 1.00 N ATOM 1557 CA SER A 105 -4.987 -6.547 -7.096 1.00 1.00 C ATOM 1558 C SER A 105 -3.840 -7.570 -7.096 1.00 1.00 C ATOM 1559 O SER A 105 -3.140 -7.706 -8.104 1.00 1.00 O ATOM 1560 CB SER A 105 -4.429 -5.155 -6.781 1.00 1.00 C ATOM 1561 OG SER A 105 -4.124 -5.042 -5.397 1.00 1.00 O ATOM 0 H SER A 105 -6.034 -6.296 -5.300 1.00 1.00 H new ATOM 0 HA SER A 105 -5.429 -6.579 -8.092 1.00 1.00 H new ATOM 0 HB2 SER A 105 -3.532 -4.974 -7.373 1.00 1.00 H new ATOM 0 HB3 SER A 105 -5.156 -4.393 -7.063 1.00 1.00 H new ATOM 0 HG SER A 105 -3.767 -4.148 -5.213 1.00 1.00 H new ATOM 1567 N SER A 106 -3.669 -8.312 -5.995 1.00 1.00 N ATOM 1568 CA SER A 106 -2.649 -9.354 -5.798 1.00 1.00 C ATOM 1569 C SER A 106 -3.205 -10.499 -4.932 1.00 1.00 C ATOM 1570 O SER A 106 -4.035 -10.243 -4.053 1.00 1.00 O ATOM 1571 CB SER A 106 -1.413 -8.764 -5.100 1.00 1.00 C ATOM 1572 OG SER A 106 -0.724 -7.857 -5.947 1.00 1.00 O ATOM 0 H SER A 106 -4.267 -8.198 -5.176 1.00 1.00 H new ATOM 0 HA SER A 106 -2.371 -9.741 -6.778 1.00 1.00 H new ATOM 0 HB2 SER A 106 -1.718 -8.252 -4.188 1.00 1.00 H new ATOM 0 HB3 SER A 106 -0.741 -9.570 -4.804 1.00 1.00 H new ATOM 0 HG SER A 106 0.056 -7.497 -5.475 1.00 1.00 H new ATOM 1578 N PRO A 107 -2.756 -11.757 -5.124 1.00 1.00 N ATOM 1579 CA PRO A 107 -3.246 -12.911 -4.362 1.00 1.00 C ATOM 1580 C PRO A 107 -2.913 -12.847 -2.862 1.00 1.00 C ATOM 1581 O PRO A 107 -3.662 -13.374 -2.040 1.00 1.00 O ATOM 1582 CB PRO A 107 -2.626 -14.137 -5.042 1.00 1.00 C ATOM 1583 CG PRO A 107 -1.353 -13.595 -5.688 1.00 1.00 C ATOM 1584 CD PRO A 107 -1.761 -12.183 -6.102 1.00 1.00 C ATOM 0 HA PRO A 107 -4.335 -12.943 -4.376 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -2.404 -14.924 -4.321 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -3.299 -14.565 -5.784 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -0.517 -13.586 -4.989 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -1.046 -14.195 -6.545 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -0.902 -11.512 -6.104 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -2.175 -12.175 -7.110 1.00 1.00 H new ATOM 1592 N VAL A 108 -1.821 -12.171 -2.484 1.00 1.00 N ATOM 1593 CA VAL A 108 -1.406 -12.007 -1.076 1.00 1.00 C ATOM 1594 C VAL A 108 -2.464 -11.248 -0.262 1.00 1.00 C ATOM 1595 O VAL A 108 -2.668 -11.548 0.914 1.00 1.00 O ATOM 1596 CB VAL A 108 -0.030 -11.312 -0.974 1.00 1.00 C ATOM 1597 CG1 VAL A 108 0.489 -11.295 0.470 1.00 1.00 C ATOM 1598 CG2 VAL A 108 1.032 -12.023 -1.829 1.00 1.00 C ATOM 0 H VAL A 108 -1.193 -11.717 -3.148 1.00 1.00 H new ATOM 0 HA VAL A 108 -1.311 -13.005 -0.648 1.00 1.00 H new ATOM 0 HB VAL A 108 -0.186 -10.295 -1.334 1.00 1.00 H new ATOM 0 HG11 VAL A 108 1.459 -10.798 0.502 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -0.216 -10.757 1.104 1.00 1.00 H new ATOM 0 HG13 VAL A 108 0.593 -12.318 0.831 1.00 1.00 H new ATOM 0 HG21 VAL A 108 1.986 -11.504 -1.730 1.00 1.00 H new ATOM 0 HG22 VAL A 108 1.143 -13.053 -1.490 1.00 1.00 H new ATOM 0 HG23 VAL A 108 0.722 -12.017 -2.874 1.00 1.00 H new ATOM 1608 N VAL A 109 -3.185 -10.305 -0.883 1.00 1.00 N ATOM 1609 CA VAL A 109 -4.275 -9.548 -0.234 1.00 1.00 C ATOM 1610 C VAL A 109 -5.417 -10.493 0.160 1.00 1.00 C ATOM 1611 O VAL A 109 -5.935 -10.407 1.275 1.00 1.00 O ATOM 1612 CB VAL A 109 -4.801 -8.421 -1.147 1.00 1.00 C ATOM 1613 CG1 VAL A 109 -5.786 -7.512 -0.404 1.00 1.00 C ATOM 1614 CG2 VAL A 109 -3.671 -7.521 -1.669 1.00 1.00 C ATOM 0 H VAL A 109 -3.031 -10.041 -1.856 1.00 1.00 H new ATOM 0 HA VAL A 109 -3.871 -9.085 0.666 1.00 1.00 H new ATOM 0 HB VAL A 109 -5.291 -8.927 -1.979 1.00 1.00 H new ATOM 0 HG11 VAL A 109 -6.137 -6.729 -1.076 1.00 1.00 H new ATOM 0 HG12 VAL A 109 -6.635 -8.101 -0.059 1.00 1.00 H new ATOM 0 HG13 VAL A 109 -5.287 -7.058 0.452 1.00 1.00 H new ATOM 0 HG21 VAL A 109 -4.091 -6.743 -2.307 1.00 1.00 H new ATOM 0 HG22 VAL A 109 -3.154 -7.060 -0.827 1.00 1.00 H new ATOM 0 HG23 VAL A 109 -2.965 -8.120 -2.244 1.00 1.00 H new ATOM 1624 N ALA A 110 -5.766 -11.439 -0.720 1.00 1.00 N ATOM 1625 CA ALA A 110 -6.780 -12.456 -0.448 1.00 1.00 C ATOM 1626 C ALA A 110 -6.340 -13.372 0.705 1.00 1.00 C ATOM 1627 O ALA A 110 -7.100 -13.586 1.648 1.00 1.00 O ATOM 1628 CB ALA A 110 -7.037 -13.261 -1.724 1.00 1.00 C ATOM 0 H ALA A 110 -5.348 -11.518 -1.647 1.00 1.00 H new ATOM 0 HA ALA A 110 -7.706 -11.970 -0.141 1.00 1.00 H new ATOM 0 HB1 ALA A 110 -7.793 -14.022 -1.528 1.00 1.00 H new ATOM 0 HB2 ALA A 110 -7.389 -12.594 -2.511 1.00 1.00 H new ATOM 0 HB3 ALA A 110 -6.112 -13.742 -2.043 1.00 1.00 H new ATOM 1634 N GLU A 111 -5.099 -13.875 0.669 1.00 1.00 N ATOM 1635 CA GLU A 111 -4.560 -14.716 1.746 1.00 1.00 C ATOM 1636 C GLU A 111 -4.570 -13.977 3.093 1.00 1.00 C ATOM 1637 O GLU A 111 -5.003 -14.542 4.095 1.00 1.00 O ATOM 1638 CB GLU A 111 -3.133 -15.187 1.418 1.00 1.00 C ATOM 1639 CG GLU A 111 -3.084 -16.148 0.224 1.00 1.00 C ATOM 1640 CD GLU A 111 -1.665 -16.716 0.034 1.00 1.00 C ATOM 1641 OE1 GLU A 111 -0.819 -16.055 -0.618 1.00 1.00 O ATOM 1642 OE2 GLU A 111 -1.382 -17.833 0.532 1.00 1.00 O ATOM 0 H GLU A 111 -4.447 -13.713 -0.098 1.00 1.00 H new ATOM 0 HA GLU A 111 -5.208 -15.589 1.827 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -2.509 -14.319 1.206 1.00 1.00 H new ATOM 0 HB3 GLU A 111 -2.708 -15.679 2.293 1.00 1.00 H new ATOM 0 HG2 GLU A 111 -3.789 -16.964 0.380 1.00 1.00 H new ATOM 0 HG3 GLU A 111 -3.396 -15.626 -0.681 1.00 1.00 H new ATOM 1649 N SER A 112 -4.166 -12.699 3.116 1.00 1.00 N ATOM 1650 CA SER A 112 -4.171 -11.847 4.315 1.00 1.00 C ATOM 1651 C SER A 112 -5.583 -11.687 4.904 1.00 1.00 C ATOM 1652 O SER A 112 -5.761 -11.721 6.124 1.00 1.00 O ATOM 1653 CB SER A 112 -3.572 -10.478 3.968 1.00 1.00 C ATOM 1654 OG SER A 112 -3.341 -9.710 5.139 1.00 1.00 O ATOM 0 H SER A 112 -3.820 -12.219 2.286 1.00 1.00 H new ATOM 0 HA SER A 112 -3.563 -12.331 5.079 1.00 1.00 H new ATOM 0 HB2 SER A 112 -2.635 -10.614 3.428 1.00 1.00 H new ATOM 0 HB3 SER A 112 -4.248 -9.940 3.304 1.00 1.00 H new ATOM 0 HG SER A 112 -2.958 -8.843 4.891 1.00 1.00 H new ATOM 1660 N HIS A 113 -6.603 -11.571 4.049 1.00 1.00 N ATOM 1661 CA HIS A 113 -8.007 -11.497 4.460 1.00 1.00 C ATOM 1662 C HIS A 113 -8.516 -12.846 5.018 1.00 1.00 C ATOM 1663 O HIS A 113 -9.201 -12.873 6.043 1.00 1.00 O ATOM 1664 CB HIS A 113 -8.836 -11.029 3.252 1.00 1.00 C ATOM 1665 CG HIS A 113 -10.320 -10.959 3.505 1.00 1.00 C ATOM 1666 ND1 HIS A 113 -10.970 -10.090 4.355 1.00 1.00 N ATOM 1667 CD2 HIS A 113 -11.276 -11.743 2.919 1.00 1.00 C ATOM 1668 CE1 HIS A 113 -12.287 -10.349 4.285 1.00 1.00 C ATOM 1669 NE2 HIS A 113 -12.523 -11.346 3.414 1.00 1.00 N ATOM 0 H HIS A 113 -6.474 -11.525 3.038 1.00 1.00 H new ATOM 0 HA HIS A 113 -8.111 -10.781 5.275 1.00 1.00 H new ATOM 0 HB2 HIS A 113 -8.485 -10.044 2.946 1.00 1.00 H new ATOM 0 HB3 HIS A 113 -8.654 -11.706 2.417 1.00 1.00 H new ATOM 0 HD1 HIS A 113 -10.529 -9.376 4.935 1.00 1.00 H new ATOM 0 HD2 HIS A 113 -11.099 -12.530 2.201 1.00 1.00 H new ATOM 0 HE1 HIS A 113 -13.048 -9.830 4.849 1.00 1.00 H new ATOM 1677 N TYR A 114 -8.178 -13.968 4.370 1.00 1.00 N ATOM 1678 CA TYR A 114 -8.618 -15.313 4.768 1.00 1.00 C ATOM 1679 C TYR A 114 -7.970 -15.877 6.048 1.00 1.00 C ATOM 1680 O TYR A 114 -8.610 -16.685 6.727 1.00 1.00 O ATOM 1681 CB TYR A 114 -8.416 -16.295 3.599 1.00 1.00 C ATOM 1682 CG TYR A 114 -9.182 -15.993 2.315 1.00 1.00 C ATOM 1683 CD1 TYR A 114 -10.494 -15.476 2.358 1.00 1.00 C ATOM 1684 CD2 TYR A 114 -8.587 -16.268 1.066 1.00 1.00 C ATOM 1685 CE1 TYR A 114 -11.187 -15.203 1.166 1.00 1.00 C ATOM 1686 CE2 TYR A 114 -9.281 -16.000 -0.132 1.00 1.00 C ATOM 1687 CZ TYR A 114 -10.585 -15.457 -0.082 1.00 1.00 C ATOM 1688 OH TYR A 114 -11.276 -15.181 -1.221 1.00 1.00 O ATOM 0 H TYR A 114 -7.582 -13.968 3.542 1.00 1.00 H new ATOM 0 HA TYR A 114 -9.674 -15.203 5.016 1.00 1.00 H new ATOM 0 HB2 TYR A 114 -7.353 -16.329 3.362 1.00 1.00 H new ATOM 0 HB3 TYR A 114 -8.699 -17.292 3.938 1.00 1.00 H new ATOM 0 HD1 TYR A 114 -10.968 -15.289 3.310 1.00 1.00 H new ATOM 0 HD2 TYR A 114 -7.592 -16.687 1.027 1.00 1.00 H new ATOM 0 HE1 TYR A 114 -12.187 -14.796 1.207 1.00 1.00 H new ATOM 0 HE2 TYR A 114 -8.818 -16.209 -1.085 1.00 1.00 H new ATOM 0 HH TYR A 114 -10.727 -15.409 -2.000 1.00 1.00 H new ATOM 1698 N ILE A 115 -6.739 -15.485 6.415 1.00 1.00 N ATOM 1699 CA ILE A 115 -6.066 -15.991 7.636 1.00 1.00 C ATOM 1700 C ILE A 115 -6.602 -15.401 8.958 1.00 1.00 C ATOM 1701 O ILE A 115 -6.119 -15.774 10.031 1.00 1.00 O ATOM 1702 CB ILE A 115 -4.519 -15.902 7.548 1.00 1.00 C ATOM 1703 CG1 ILE A 115 -3.919 -14.496 7.317 1.00 1.00 C ATOM 1704 CG2 ILE A 115 -4.014 -16.867 6.461 1.00 1.00 C ATOM 1705 CD1 ILE A 115 -4.063 -13.520 8.491 1.00 1.00 C ATOM 0 H ILE A 115 -6.182 -14.816 5.884 1.00 1.00 H new ATOM 0 HA ILE A 115 -6.331 -17.048 7.668 1.00 1.00 H new ATOM 0 HB ILE A 115 -4.170 -16.182 8.542 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -2.860 -14.605 7.085 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -4.394 -14.056 6.440 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -2.928 -16.807 6.397 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -4.306 -17.886 6.715 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -4.450 -16.593 5.500 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -3.610 -12.564 8.227 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -5.120 -13.372 8.713 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -3.562 -13.929 9.368 1.00 1.00 H new ATOM 1717 N GLY A 116 -7.597 -14.507 8.911 1.00 1.00 N ATOM 1718 CA GLY A 116 -8.207 -13.870 10.085 1.00 1.00 C ATOM 1719 C GLY A 116 -9.730 -14.036 10.155 1.00 1.00 C ATOM 1720 O GLY A 116 -10.404 -14.274 9.149 1.00 1.00 O ATOM 0 H GLY A 116 -8.011 -14.198 8.032 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -7.763 -14.290 10.987 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -7.966 -12.807 10.077 1.00 1.00 H new ATOM 1724 N LYS A 117 -10.282 -13.893 11.368 1.00 1.00 N ATOM 1725 CA LYS A 117 -11.724 -14.029 11.661 1.00 1.00 C ATOM 1726 C LYS A 117 -12.616 -13.006 10.948 1.00 1.00 C ATOM 1727 O LYS A 117 -13.815 -13.239 10.851 1.00 1.00 O ATOM 1728 CB LYS A 117 -11.958 -13.996 13.185 1.00 1.00 C ATOM 1729 CG LYS A 117 -11.370 -15.241 13.874 1.00 1.00 C ATOM 1730 CD LYS A 117 -11.667 -15.303 15.380 1.00 1.00 C ATOM 1731 CE LYS A 117 -10.952 -14.192 16.162 1.00 1.00 C ATOM 1732 NZ LYS A 117 -11.173 -14.325 17.626 1.00 1.00 N ATOM 0 H LYS A 117 -9.728 -13.674 12.196 1.00 1.00 H new ATOM 0 HA LYS A 117 -12.024 -14.996 11.258 1.00 1.00 H new ATOM 0 HB2 LYS A 117 -11.504 -13.098 13.604 1.00 1.00 H new ATOM 0 HB3 LYS A 117 -13.027 -13.937 13.389 1.00 1.00 H new ATOM 0 HG2 LYS A 117 -11.770 -16.135 13.395 1.00 1.00 H new ATOM 0 HG3 LYS A 117 -10.291 -15.255 13.723 1.00 1.00 H new ATOM 0 HD2 LYS A 117 -12.742 -15.222 15.539 1.00 1.00 H new ATOM 0 HD3 LYS A 117 -11.359 -16.274 15.769 1.00 1.00 H new ATOM 0 HE2 LYS A 117 -9.883 -14.227 15.950 1.00 1.00 H new ATOM 0 HE3 LYS A 117 -11.312 -13.220 15.826 1.00 1.00 H new ATOM 0 HZ1 LYS A 117 -10.676 -13.559 18.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 117 -12.191 -14.267 17.830 1.00 1.00 H new ATOM 0 HZ3 LYS A 117 -10.807 -15.243 17.950 1.00 1.00 H new ATOM 1746 N THR A 118 -12.072 -11.907 10.419 1.00 1.00 N ATOM 1747 CA THR A 118 -12.824 -10.880 9.669 1.00 1.00 C ATOM 1748 C THR A 118 -13.646 -11.483 8.524 1.00 1.00 C ATOM 1749 O THR A 118 -14.826 -11.162 8.368 1.00 1.00 O ATOM 1750 CB THR A 118 -11.859 -9.813 9.129 1.00 1.00 C ATOM 1751 OG1 THR A 118 -11.152 -9.251 10.214 1.00 1.00 O ATOM 1752 CG2 THR A 118 -12.572 -8.679 8.396 1.00 1.00 C ATOM 0 H THR A 118 -11.077 -11.696 10.498 1.00 1.00 H new ATOM 0 HA THR A 118 -13.528 -10.418 10.361 1.00 1.00 H new ATOM 0 HB THR A 118 -11.199 -10.309 8.418 1.00 1.00 H new ATOM 0 HG1 THR A 118 -11.202 -8.273 10.166 1.00 1.00 H new ATOM 0 HG21 THR A 118 -11.837 -7.958 8.039 1.00 1.00 H new ATOM 0 HG22 THR A 118 -13.124 -9.084 7.548 1.00 1.00 H new ATOM 0 HG23 THR A 118 -13.264 -8.184 9.077 1.00 1.00 H new ATOM 1760 N HIS A 119 -13.063 -12.409 7.754 1.00 1.00 N ATOM 1761 CA HIS A 119 -13.777 -13.122 6.687 1.00 1.00 C ATOM 1762 C HIS A 119 -14.919 -13.970 7.267 1.00 1.00 C ATOM 1763 O HIS A 119 -16.054 -13.897 6.804 1.00 1.00 O ATOM 1764 CB HIS A 119 -12.777 -13.989 5.912 1.00 1.00 C ATOM 1765 CG HIS A 119 -13.416 -14.797 4.809 1.00 1.00 C ATOM 1766 ND1 HIS A 119 -13.946 -14.283 3.621 1.00 1.00 N ATOM 1767 CD2 HIS A 119 -13.528 -16.157 4.792 1.00 1.00 C ATOM 1768 CE1 HIS A 119 -14.363 -15.347 2.917 1.00 1.00 C ATOM 1769 NE2 HIS A 119 -14.117 -16.483 3.591 1.00 1.00 N ATOM 0 H HIS A 119 -12.086 -12.685 7.852 1.00 1.00 H new ATOM 0 HA HIS A 119 -14.227 -12.402 6.004 1.00 1.00 H new ATOM 0 HB2 HIS A 119 -12.007 -13.348 5.484 1.00 1.00 H new ATOM 0 HB3 HIS A 119 -12.279 -14.665 6.606 1.00 1.00 H new ATOM 0 HD1 HIS A 119 -14.004 -13.302 3.346 1.00 1.00 H new ATOM 0 HD2 HIS A 119 -13.216 -16.842 5.567 1.00 1.00 H new ATOM 0 HE1 HIS A 119 -14.831 -15.297 1.945 1.00 1.00 H new ATOM 1777 N ILE A 120 -14.640 -14.731 8.330 1.00 1.00 N ATOM 1778 CA ILE A 120 -15.603 -15.597 9.034 1.00 1.00 C ATOM 1779 C ILE A 120 -16.769 -14.803 9.650 1.00 1.00 C ATOM 1780 O ILE A 120 -17.914 -15.250 9.581 1.00 1.00 O ATOM 1781 CB ILE A 120 -14.852 -16.508 10.031 1.00 1.00 C ATOM 1782 CG1 ILE A 120 -13.905 -17.424 9.213 1.00 1.00 C ATOM 1783 CG2 ILE A 120 -15.817 -17.334 10.898 1.00 1.00 C ATOM 1784 CD1 ILE A 120 -13.079 -18.413 10.047 1.00 1.00 C ATOM 0 H ILE A 120 -13.707 -14.765 8.741 1.00 1.00 H new ATOM 0 HA ILE A 120 -16.089 -16.251 8.311 1.00 1.00 H new ATOM 0 HB ILE A 120 -14.278 -15.894 10.726 1.00 1.00 H new ATOM 0 HG12 ILE A 120 -14.500 -17.987 8.494 1.00 1.00 H new ATOM 0 HG13 ILE A 120 -13.222 -16.796 8.640 1.00 1.00 H new ATOM 0 HG21 ILE A 120 -15.245 -17.959 11.584 1.00 1.00 H new ATOM 0 HG22 ILE A 120 -16.459 -16.663 11.469 1.00 1.00 H new ATOM 0 HG23 ILE A 120 -16.432 -17.966 10.257 1.00 1.00 H new ATOM 0 HD11 ILE A 120 -12.449 -19.008 9.386 1.00 1.00 H new ATOM 0 HD12 ILE A 120 -12.452 -17.863 10.748 1.00 1.00 H new ATOM 0 HD13 ILE A 120 -13.749 -19.071 10.600 1.00 1.00 H new ATOM 1796 N LYS A 121 -16.528 -13.597 10.181 1.00 1.00 N ATOM 1797 CA LYS A 121 -17.590 -12.702 10.682 1.00 1.00 C ATOM 1798 C LYS A 121 -18.549 -12.315 9.549 1.00 1.00 C ATOM 1799 O LYS A 121 -19.763 -12.288 9.753 1.00 1.00 O ATOM 1800 CB LYS A 121 -16.974 -11.461 11.350 1.00 1.00 C ATOM 1801 CG LYS A 121 -16.378 -11.810 12.724 1.00 1.00 C ATOM 1802 CD LYS A 121 -15.703 -10.593 13.363 1.00 1.00 C ATOM 1803 CE LYS A 121 -15.079 -10.917 14.730 1.00 1.00 C ATOM 1804 NZ LYS A 121 -16.104 -11.180 15.778 1.00 1.00 N ATOM 0 H LYS A 121 -15.589 -13.210 10.277 1.00 1.00 H new ATOM 0 HA LYS A 121 -18.170 -13.233 11.437 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -16.197 -11.047 10.708 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -17.736 -10.691 11.466 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -17.165 -12.179 13.381 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -15.652 -12.615 12.614 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -14.929 -10.218 12.694 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -16.436 -9.795 13.482 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -14.432 -11.789 14.633 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -14.448 -10.085 15.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -15.632 -11.393 16.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -16.707 -10.340 15.893 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -16.690 -11.991 15.494 1.00 1.00 H new ATOM 1818 N ASN A 122 -18.023 -12.101 8.339 1.00 1.00 N ATOM 1819 CA ASN A 122 -18.843 -11.860 7.151 1.00 1.00 C ATOM 1820 C ASN A 122 -19.589 -13.145 6.741 1.00 1.00 C ATOM 1821 O ASN A 122 -20.777 -13.055 6.437 1.00 1.00 O ATOM 1822 CB ASN A 122 -17.996 -11.270 6.010 1.00 1.00 C ATOM 1823 CG ASN A 122 -17.688 -9.794 6.225 1.00 1.00 C ATOM 1824 OD1 ASN A 122 -18.409 -8.923 5.759 1.00 1.00 O ATOM 1825 ND2 ASN A 122 -16.636 -9.461 6.937 1.00 1.00 N ATOM 0 H ASN A 122 -17.019 -12.090 8.157 1.00 1.00 H new ATOM 0 HA ASN A 122 -19.602 -11.115 7.388 1.00 1.00 H new ATOM 0 HB2 ASN A 122 -17.062 -11.826 5.928 1.00 1.00 H new ATOM 0 HB3 ASN A 122 -18.525 -11.395 5.065 1.00 1.00 H new ATOM 0 HD21 ASN A 122 -16.421 -8.477 7.101 1.00 1.00 H new ATOM 0 HD22 ASN A 122 -16.033 -10.186 7.327 1.00 1.00 H new