USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 821 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 57 TYR OH : rot 37:sc= 0.654 USER MOD Set 1.2: A 97 GLN : amide:sc= -1.34! C(o=-0.69!,f=-5.7!) USER MOD Set 1.3: A 107 MET CE :methyl -176:sc= 0 (180deg=0) USER MOD Set 2.1: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 112 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Set 3.1: A 87 THR OG1 : rot 97:sc= 1.26 USER MOD Set 3.2: A 92 TYR OH : rot 180:sc= 1.04 USER MOD Set 4.1: A 36 THR OG1 : rot 170:sc= -0.551 USER MOD Set 4.2: A 84 GLN : amide:sc= 0 K(o=-0.55,f=-1.1) USER MOD Single : A 19 THR OG1 : rot -55:sc= 1.09 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0684 USER MOD Single : A 23 LYS NZ :NH3+ 149:sc= -0.276 (180deg=-1.09) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0798 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0424) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0316) USER MOD Single : A 35 LYS NZ :NH3+ 167:sc=-0.00307 (180deg=-0.103) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc=-0.00745 F(o=-1.1,f=-0.0075) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 150:sc= -0.272 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc=-0.00668 X(o=-0.0067,f=0.017) USER MOD Single : A 67 HIS : no HD1:sc= -1.05 X(o=-1,f=-1.4) USER MOD Single : A 77 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.28) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.01 USER MOD Single : A 81 HIS : no HD1:sc= -0.119 K(o=-0.12,f=-0.81) USER MOD Single : A 82 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.5!) USER MOD Single : A 90 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 95 LYS NZ :NH3+ -114:sc= 0.0415 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -1.3 K(o=-1.3,f=-10!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0075 USER MOD Single : A 115 THR OG1 : rot -153:sc= 0.732 USER MOD Single : A 117 LYS NZ :NH3+ -127:sc= -2.42! (180deg=-7.83!) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -22.645 -5.399 -3.677 1.00 0.00 N ATOM 179 CA LEU A 16 -21.733 -6.060 -4.604 1.00 0.00 C ATOM 180 C LEU A 16 -20.335 -5.457 -4.516 1.00 0.00 C ATOM 181 O LEU A 16 -20.109 -4.323 -4.939 1.00 0.00 O ATOM 182 CB LEU A 16 -22.260 -5.947 -6.036 1.00 0.00 C ATOM 183 CG LEU A 16 -23.597 -6.635 -6.315 1.00 0.00 C ATOM 184 CD1 LEU A 16 -24.755 -5.737 -5.907 1.00 0.00 C ATOM 185 CD2 LEU A 16 -23.705 -7.014 -7.785 1.00 0.00 C ATOM 0 HA LEU A 16 -21.673 -7.112 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.360 -4.890 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.512 -6.363 -6.711 1.00 0.00 H new ATOM 0 HG LEU A 16 -23.645 -7.547 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -25.698 -6.243 -6.113 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -24.687 -5.516 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -24.711 -4.807 -6.474 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -24.663 -7.502 -7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -23.635 -6.116 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -22.895 -7.696 -8.045 1.00 0.00 H new ATOM 197 N VAL A 17 -19.399 -6.224 -3.966 1.00 0.00 N ATOM 198 CA VAL A 17 -18.022 -5.767 -3.825 1.00 0.00 C ATOM 199 C VAL A 17 -17.561 -5.019 -5.071 1.00 0.00 C ATOM 200 O VAL A 17 -18.062 -5.234 -6.175 1.00 0.00 O ATOM 201 CB VAL A 17 -17.064 -6.944 -3.562 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.251 -7.480 -2.151 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.276 -8.043 -4.592 1.00 0.00 C ATOM 0 H VAL A 17 -19.570 -7.165 -3.611 1.00 0.00 H new ATOM 0 HA VAL A 17 -17.999 -5.092 -2.970 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.039 -6.584 -3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.566 -8.311 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.044 -6.688 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.277 -7.825 -2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.591 -8.867 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.303 -8.403 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.086 -7.648 -5.590 1.00 0.00 H new ATOM 213 N PRO A 18 -16.582 -4.120 -4.893 1.00 0.00 N ATOM 214 CA PRO A 18 -16.030 -3.322 -5.993 1.00 0.00 C ATOM 215 C PRO A 18 -15.213 -4.165 -6.967 1.00 0.00 C ATOM 216 O PRO A 18 -14.052 -4.482 -6.707 1.00 0.00 O ATOM 217 CB PRO A 18 -15.132 -2.308 -5.280 1.00 0.00 C ATOM 218 CG PRO A 18 -14.756 -2.970 -3.999 1.00 0.00 C ATOM 219 CD PRO A 18 -15.937 -3.812 -3.605 1.00 0.00 C ATOM 0 HA PRO A 18 -16.813 -2.866 -6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.251 -2.071 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.658 -1.370 -5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.864 -3.584 -4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.530 -2.231 -3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.628 -4.718 -3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.610 -3.273 -2.937 1.00 0.00 H new ATOM 227 N THR A 19 -15.827 -4.525 -8.090 1.00 0.00 N ATOM 228 CA THR A 19 -15.157 -5.331 -9.102 1.00 0.00 C ATOM 229 C THR A 19 -14.325 -4.460 -10.036 1.00 0.00 C ATOM 230 O THR A 19 -14.083 -4.822 -11.188 1.00 0.00 O ATOM 231 CB THR A 19 -16.168 -6.138 -9.937 1.00 0.00 C ATOM 232 OG1 THR A 19 -15.476 -6.982 -10.864 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.109 -5.212 -10.693 1.00 0.00 C ATOM 0 H THR A 19 -16.787 -4.271 -8.321 1.00 0.00 H new ATOM 0 HA THR A 19 -14.501 -6.022 -8.572 1.00 0.00 H new ATOM 0 HB THR A 19 -16.757 -6.752 -9.256 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.868 -6.440 -11.409 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.814 -5.806 -11.275 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.657 -4.592 -9.984 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.532 -4.574 -11.362 1.00 0.00 H new ATOM 241 N SER A 20 -13.888 -3.310 -9.533 1.00 0.00 N ATOM 242 CA SER A 20 -13.085 -2.385 -10.324 1.00 0.00 C ATOM 243 C SER A 20 -11.854 -1.931 -9.546 1.00 0.00 C ATOM 244 O SER A 20 -11.922 -1.614 -8.358 1.00 0.00 O ATOM 245 CB SER A 20 -13.921 -1.170 -10.733 1.00 0.00 C ATOM 246 OG SER A 20 -13.191 -0.316 -11.596 1.00 0.00 O ATOM 0 H SER A 20 -14.077 -2.996 -8.581 1.00 0.00 H new ATOM 0 HA SER A 20 -12.754 -2.907 -11.221 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.832 -1.502 -11.231 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.226 -0.619 -9.844 1.00 0.00 H new ATOM 0 HG SER A 20 -13.747 0.452 -11.844 1.00 0.00 H new ATOM 252 N PRO A 21 -10.701 -1.898 -10.230 1.00 0.00 N ATOM 253 CA PRO A 21 -9.432 -1.484 -9.623 1.00 0.00 C ATOM 254 C PRO A 21 -9.401 0.008 -9.307 1.00 0.00 C ATOM 255 O PRO A 21 -10.135 0.806 -9.889 1.00 0.00 O ATOM 256 CB PRO A 21 -8.397 -1.824 -10.698 1.00 0.00 C ATOM 257 CG PRO A 21 -9.157 -1.792 -11.979 1.00 0.00 C ATOM 258 CD PRO A 21 -10.547 -2.262 -11.648 1.00 0.00 C ATOM 0 HA PRO A 21 -9.255 -1.981 -8.669 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.581 -1.102 -10.704 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.954 -2.805 -10.525 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.175 -0.786 -12.397 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.693 -2.439 -12.724 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.296 -1.774 -12.272 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.655 -3.336 -11.801 1.00 0.00 H new ATOM 266 N PRO A 22 -8.530 0.395 -8.362 1.00 0.00 N ATOM 267 CA PRO A 22 -8.382 1.793 -7.948 1.00 0.00 C ATOM 268 C PRO A 22 -7.739 2.653 -9.030 1.00 0.00 C ATOM 269 O PRO A 22 -7.026 2.148 -9.897 1.00 0.00 O ATOM 270 CB PRO A 22 -7.468 1.705 -6.723 1.00 0.00 C ATOM 271 CG PRO A 22 -6.698 0.444 -6.915 1.00 0.00 C ATOM 272 CD PRO A 22 -7.624 -0.503 -7.626 1.00 0.00 C ATOM 0 HA PRO A 22 -9.345 2.262 -7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.805 2.568 -6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.046 1.679 -5.799 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.797 0.623 -7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.379 0.032 -5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.081 -1.166 -8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.168 -1.136 -6.925 1.00 0.00 H new ATOM 280 N LYS A 23 -7.997 3.956 -8.975 1.00 0.00 N ATOM 281 CA LYS A 23 -7.443 4.888 -9.950 1.00 0.00 C ATOM 282 C LYS A 23 -6.518 5.895 -9.274 1.00 0.00 C ATOM 283 O LYS A 23 -6.409 5.927 -8.048 1.00 0.00 O ATOM 284 CB LYS A 23 -8.569 5.623 -10.681 1.00 0.00 C ATOM 285 CG LYS A 23 -9.789 4.757 -10.944 1.00 0.00 C ATOM 286 CD LYS A 23 -10.921 5.563 -11.561 1.00 0.00 C ATOM 287 CE LYS A 23 -10.822 5.591 -13.078 1.00 0.00 C ATOM 288 NZ LYS A 23 -10.815 4.221 -13.660 1.00 0.00 N ATOM 0 H LYS A 23 -8.587 4.390 -8.265 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.862 4.316 -10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.869 6.489 -10.092 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.189 6.000 -11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.518 3.938 -11.611 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.127 4.309 -10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.878 5.133 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.896 6.582 -11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.661 6.154 -13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.913 6.115 -13.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.260 4.241 -14.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.834 3.886 -13.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.346 3.577 -13.039 1.00 0.00 H new ATOM 302 N ASP A 24 -5.857 6.718 -10.081 1.00 0.00 N ATOM 303 CA ASP A 24 -4.944 7.729 -9.561 1.00 0.00 C ATOM 304 C ASP A 24 -3.805 7.082 -8.779 1.00 0.00 C ATOM 305 O ASP A 24 -3.312 7.644 -7.801 1.00 0.00 O ATOM 306 CB ASP A 24 -5.697 8.715 -8.667 1.00 0.00 C ATOM 307 CG ASP A 24 -4.942 10.016 -8.476 1.00 0.00 C ATOM 308 OD1 ASP A 24 -4.195 10.409 -9.397 1.00 0.00 O ATOM 309 OD2 ASP A 24 -5.099 10.642 -7.407 1.00 0.00 O ATOM 0 H ASP A 24 -5.937 6.705 -11.098 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.519 8.269 -10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.673 8.925 -9.105 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.876 8.256 -7.695 1.00 0.00 H new ATOM 314 N VAL A 25 -3.393 5.896 -9.215 1.00 0.00 N ATOM 315 CA VAL A 25 -2.313 5.171 -8.556 1.00 0.00 C ATOM 316 C VAL A 25 -0.974 5.870 -8.767 1.00 0.00 C ATOM 317 O VAL A 25 -0.489 5.981 -9.893 1.00 0.00 O ATOM 318 CB VAL A 25 -2.211 3.724 -9.073 1.00 0.00 C ATOM 319 CG1 VAL A 25 -1.021 3.015 -8.444 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.500 2.967 -8.794 1.00 0.00 C ATOM 0 H VAL A 25 -3.791 5.416 -10.022 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.547 5.153 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.059 3.752 -10.152 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.965 1.994 -8.821 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.104 3.547 -8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.140 2.996 -7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.410 1.946 -9.166 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.685 2.947 -7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.330 3.464 -9.296 1.00 0.00 H new ATOM 330 N THR A 26 -0.380 6.341 -7.675 1.00 0.00 N ATOM 331 CA THR A 26 0.902 7.030 -7.739 1.00 0.00 C ATOM 332 C THR A 26 1.775 6.682 -6.538 1.00 0.00 C ATOM 333 O THR A 26 1.287 6.583 -5.412 1.00 0.00 O ATOM 334 CB THR A 26 0.717 8.558 -7.799 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.222 8.977 -6.802 1.00 0.00 O ATOM 336 CG2 THR A 26 0.232 8.991 -9.174 1.00 0.00 C ATOM 0 H THR A 26 -0.767 6.257 -6.735 1.00 0.00 H new ATOM 0 HA THR A 26 1.395 6.695 -8.652 1.00 0.00 H new ATOM 0 HB THR A 26 1.682 9.027 -7.608 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.333 9.950 -6.845 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.109 10.074 -9.192 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.963 8.696 -9.927 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.724 8.513 -9.390 1.00 0.00 H new ATOM 344 N VAL A 27 3.068 6.497 -6.786 1.00 0.00 N ATOM 345 CA VAL A 27 4.009 6.162 -5.724 1.00 0.00 C ATOM 346 C VAL A 27 5.203 7.109 -5.728 1.00 0.00 C ATOM 347 O VAL A 27 6.029 7.080 -6.641 1.00 0.00 O ATOM 348 CB VAL A 27 4.515 4.713 -5.860 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.529 4.398 -4.771 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.351 3.736 -5.815 1.00 0.00 C ATOM 0 H VAL A 27 3.487 6.573 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 27 3.472 6.265 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 27 5.010 4.608 -6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.875 3.371 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.377 5.078 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.063 4.519 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.727 2.718 -5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.826 3.840 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.665 3.949 -6.635 1.00 0.00 H new ATOM 360 N VAL A 28 5.289 7.948 -4.701 1.00 0.00 N ATOM 361 CA VAL A 28 6.384 8.904 -4.585 1.00 0.00 C ATOM 362 C VAL A 28 7.332 8.520 -3.455 1.00 0.00 C ATOM 363 O VAL A 28 7.123 7.519 -2.769 1.00 0.00 O ATOM 364 CB VAL A 28 5.860 10.331 -4.338 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.915 10.754 -5.452 1.00 0.00 C ATOM 366 CG2 VAL A 28 5.173 10.418 -2.983 1.00 0.00 C ATOM 0 H VAL A 28 4.614 7.985 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 28 6.924 8.882 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 28 6.708 11.016 -4.335 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.555 11.765 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.443 10.732 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.068 10.069 -5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.809 11.433 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.334 9.723 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.884 10.161 -2.198 1.00 0.00 H new ATOM 376 N SER A 29 8.375 9.322 -3.266 1.00 0.00 N ATOM 377 CA SER A 29 9.358 9.064 -2.220 1.00 0.00 C ATOM 378 C SER A 29 9.414 10.223 -1.230 1.00 0.00 C ATOM 379 O SER A 29 9.212 11.381 -1.598 1.00 0.00 O ATOM 380 CB SER A 29 10.740 8.836 -2.835 1.00 0.00 C ATOM 381 OG SER A 29 11.117 9.924 -3.661 1.00 0.00 O ATOM 0 H SER A 29 8.561 10.156 -3.823 1.00 0.00 H new ATOM 0 HA SER A 29 9.054 8.165 -1.683 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.477 8.705 -2.043 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.734 7.916 -3.420 1.00 0.00 H new ATOM 0 HG SER A 29 12.004 9.754 -4.040 1.00 0.00 H new ATOM 387 N LYS A 30 9.691 9.904 0.030 1.00 0.00 N ATOM 388 CA LYS A 30 9.776 10.916 1.076 1.00 0.00 C ATOM 389 C LYS A 30 11.207 11.424 1.227 1.00 0.00 C ATOM 390 O LYS A 30 12.152 10.637 1.269 1.00 0.00 O ATOM 391 CB LYS A 30 9.283 10.347 2.407 1.00 0.00 C ATOM 392 CG LYS A 30 9.027 11.406 3.465 1.00 0.00 C ATOM 393 CD LYS A 30 7.955 10.966 4.448 1.00 0.00 C ATOM 394 CE LYS A 30 7.978 11.810 5.713 1.00 0.00 C ATOM 395 NZ LYS A 30 9.114 11.444 6.604 1.00 0.00 N ATOM 0 H LYS A 30 9.861 8.951 0.352 1.00 0.00 H new ATOM 0 HA LYS A 30 9.140 11.753 0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.363 9.788 2.235 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.020 9.639 2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.952 11.615 4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.721 12.335 2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.975 11.041 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.105 9.918 4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.052 12.864 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.039 11.683 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.009 11.930 7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.117 10.415 6.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.010 11.731 6.160 1.00 0.00 H new ATOM 409 N GLU A 31 11.357 12.742 1.309 1.00 0.00 N ATOM 410 CA GLU A 31 12.673 13.353 1.456 1.00 0.00 C ATOM 411 C GLU A 31 13.216 13.142 2.866 1.00 0.00 C ATOM 412 O GLU A 31 14.204 12.437 3.064 1.00 0.00 O ATOM 413 CB GLU A 31 12.603 14.849 1.143 1.00 0.00 C ATOM 414 CG GLU A 31 13.928 15.571 1.323 1.00 0.00 C ATOM 415 CD GLU A 31 13.820 17.061 1.066 1.00 0.00 C ATOM 416 OE1 GLU A 31 13.045 17.453 0.168 1.00 0.00 O ATOM 417 OE2 GLU A 31 14.510 17.835 1.762 1.00 0.00 O ATOM 0 H GLU A 31 10.584 13.407 1.276 1.00 0.00 H new ATOM 0 HA GLU A 31 13.349 12.873 0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.263 14.981 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.856 15.312 1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.292 15.407 2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.666 15.142 0.646 1.00 0.00 H new ATOM 424 N GLY A 32 12.561 13.760 3.845 1.00 0.00 N ATOM 425 CA GLY A 32 12.992 13.629 5.224 1.00 0.00 C ATOM 426 C GLY A 32 13.493 12.235 5.545 1.00 0.00 C ATOM 427 O GLY A 32 14.429 12.067 6.328 1.00 0.00 O ATOM 0 H GLY A 32 11.740 14.349 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.783 14.351 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.162 13.875 5.886 1.00 0.00 H new ATOM 431 N LYS A 33 12.869 11.230 4.940 1.00 0.00 N ATOM 432 CA LYS A 33 13.256 9.842 5.165 1.00 0.00 C ATOM 433 C LYS A 33 13.166 9.036 3.873 1.00 0.00 C ATOM 434 O LYS A 33 12.100 8.896 3.273 1.00 0.00 O ATOM 435 CB LYS A 33 12.364 9.210 6.236 1.00 0.00 C ATOM 436 CG LYS A 33 13.102 8.249 7.152 1.00 0.00 C ATOM 437 CD LYS A 33 13.012 6.818 6.649 1.00 0.00 C ATOM 438 CE LYS A 33 13.084 5.819 7.793 1.00 0.00 C ATOM 439 NZ LYS A 33 14.486 5.581 8.234 1.00 0.00 N ATOM 0 H LYS A 33 12.093 11.351 4.290 1.00 0.00 H new ATOM 0 HA LYS A 33 14.290 9.830 5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.917 10.001 6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.546 8.679 5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.149 8.545 7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.684 8.309 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.078 6.681 6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.823 6.627 5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.496 6.187 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.637 4.876 7.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.516 4.756 8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.086 5.403 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.837 6.418 8.741 1.00 0.00 H new ATOM 453 N PRO A 34 14.310 8.491 3.434 1.00 0.00 N ATOM 454 CA PRO A 34 14.385 7.688 2.209 1.00 0.00 C ATOM 455 C PRO A 34 13.686 6.341 2.356 1.00 0.00 C ATOM 456 O PRO A 34 13.023 5.870 1.431 1.00 0.00 O ATOM 457 CB PRO A 34 15.890 7.490 2.007 1.00 0.00 C ATOM 458 CG PRO A 34 16.475 7.617 3.371 1.00 0.00 C ATOM 459 CD PRO A 34 15.618 8.616 4.098 1.00 0.00 C ATOM 0 HA PRO A 34 13.889 8.176 1.370 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.106 6.514 1.573 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.300 8.238 1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.477 6.656 3.886 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.510 7.954 3.322 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.552 8.389 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.018 9.626 4.012 1.00 0.00 H new ATOM 467 N LYS A 35 13.837 5.725 3.523 1.00 0.00 N ATOM 468 CA LYS A 35 13.218 4.432 3.792 1.00 0.00 C ATOM 469 C LYS A 35 11.700 4.560 3.864 1.00 0.00 C ATOM 470 O LYS A 35 10.990 3.569 4.040 1.00 0.00 O ATOM 471 CB LYS A 35 13.754 3.850 5.102 1.00 0.00 C ATOM 472 CG LYS A 35 15.146 3.254 4.978 1.00 0.00 C ATOM 473 CD LYS A 35 15.471 2.348 6.154 1.00 0.00 C ATOM 474 CE LYS A 35 16.956 2.027 6.216 1.00 0.00 C ATOM 475 NZ LYS A 35 17.758 3.196 6.672 1.00 0.00 N ATOM 0 H LYS A 35 14.383 6.100 4.299 1.00 0.00 H new ATOM 0 HA LYS A 35 13.470 3.759 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.770 4.634 5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.068 3.080 5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.219 2.687 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.882 4.056 4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.163 2.830 7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.901 1.423 6.070 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.118 1.189 6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.301 1.712 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.721 2.884 6.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.803 3.904 5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.311 3.617 7.511 1.00 0.00 H new ATOM 489 N THR A 36 11.207 5.787 3.726 1.00 0.00 N ATOM 490 CA THR A 36 9.773 6.044 3.775 1.00 0.00 C ATOM 491 C THR A 36 9.256 6.535 2.427 1.00 0.00 C ATOM 492 O THR A 36 9.900 7.349 1.764 1.00 0.00 O ATOM 493 CB THR A 36 9.426 7.085 4.855 1.00 0.00 C ATOM 494 OG1 THR A 36 9.758 6.576 6.152 1.00 0.00 O ATOM 495 CG2 THR A 36 7.947 7.442 4.808 1.00 0.00 C ATOM 0 H THR A 36 11.780 6.618 3.579 1.00 0.00 H new ATOM 0 HA THR A 36 9.291 5.099 4.024 1.00 0.00 H new ATOM 0 HB THR A 36 10.008 7.986 4.659 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.687 7.295 6.814 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.726 8.179 5.580 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.704 7.857 3.830 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.351 6.546 4.980 1.00 0.00 H new ATOM 503 N ILE A 37 8.091 6.036 2.028 1.00 0.00 N ATOM 504 CA ILE A 37 7.487 6.426 0.760 1.00 0.00 C ATOM 505 C ILE A 37 5.998 6.708 0.924 1.00 0.00 C ATOM 506 O ILE A 37 5.371 6.253 1.881 1.00 0.00 O ATOM 507 CB ILE A 37 7.677 5.337 -0.312 1.00 0.00 C ATOM 508 CG1 ILE A 37 6.924 4.065 0.084 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.156 5.042 -0.512 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.480 3.233 -1.099 1.00 0.00 C ATOM 0 H ILE A 37 7.546 5.361 2.565 1.00 0.00 H new ATOM 0 HA ILE A 37 7.993 7.336 0.436 1.00 0.00 H new ATOM 0 HB ILE A 37 7.269 5.701 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.564 3.458 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.049 4.339 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.273 4.270 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.668 5.949 -0.833 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.588 4.695 0.427 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.953 2.347 -0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.814 3.823 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.352 2.929 -1.678 1.00 0.00 H new ATOM 522 N ILE A 38 5.437 7.462 -0.016 1.00 0.00 N ATOM 523 CA ILE A 38 4.021 7.802 0.023 1.00 0.00 C ATOM 524 C ILE A 38 3.306 7.324 -1.236 1.00 0.00 C ATOM 525 O ILE A 38 3.817 7.469 -2.347 1.00 0.00 O ATOM 526 CB ILE A 38 3.811 9.321 0.173 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.674 9.867 1.312 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.342 9.631 0.419 1.00 0.00 C ATOM 529 CD1 ILE A 38 6.146 9.941 0.972 1.00 0.00 C ATOM 0 H ILE A 38 5.942 7.849 -0.813 1.00 0.00 H new ATOM 0 HA ILE A 38 3.599 7.297 0.892 1.00 0.00 H new ATOM 0 HB ILE A 38 4.115 9.808 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.321 10.863 1.580 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.544 9.236 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.210 10.708 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.749 9.272 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.014 9.135 1.333 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.697 10.337 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.515 8.944 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.288 10.596 0.112 1.00 0.00 H new ATOM 541 N VAL A 39 2.119 6.754 -1.055 1.00 0.00 N ATOM 542 CA VAL A 39 1.331 6.256 -2.177 1.00 0.00 C ATOM 543 C VAL A 39 -0.083 6.825 -2.150 1.00 0.00 C ATOM 544 O VAL A 39 -0.852 6.564 -1.226 1.00 0.00 O ATOM 545 CB VAL A 39 1.253 4.718 -2.169 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.368 4.222 -3.303 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.646 4.114 -2.267 1.00 0.00 C ATOM 0 H VAL A 39 1.682 6.625 -0.142 1.00 0.00 H new ATOM 0 HA VAL A 39 1.834 6.582 -3.087 1.00 0.00 H new ATOM 0 HB VAL A 39 0.808 4.399 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.325 3.133 -3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.637 4.627 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.781 4.550 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.572 3.027 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.119 4.440 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.246 4.442 -1.418 1.00 0.00 H new ATOM 557 N ASN A 40 -0.420 7.606 -3.172 1.00 0.00 N ATOM 558 CA ASN A 40 -1.743 8.213 -3.267 1.00 0.00 C ATOM 559 C ASN A 40 -2.612 7.470 -4.277 1.00 0.00 C ATOM 560 O ASN A 40 -2.102 6.781 -5.161 1.00 0.00 O ATOM 561 CB ASN A 40 -1.624 9.685 -3.665 1.00 0.00 C ATOM 562 CG ASN A 40 -0.709 10.463 -2.738 1.00 0.00 C ATOM 563 OD1 ASN A 40 -1.093 10.819 -1.624 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.509 10.729 -3.196 1.00 0.00 N ATOM 0 H ASN A 40 0.205 7.833 -3.946 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.217 8.145 -2.288 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.246 9.753 -4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.614 10.141 -3.660 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.169 11.248 -2.617 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.784 10.414 -4.126 1.00 0.00 H new ATOM 571 N TRP A 41 -3.925 7.616 -4.140 1.00 0.00 N ATOM 572 CA TRP A 41 -4.865 6.959 -5.042 1.00 0.00 C ATOM 573 C TRP A 41 -6.282 7.475 -4.820 1.00 0.00 C ATOM 574 O TRP A 41 -6.518 8.310 -3.948 1.00 0.00 O ATOM 575 CB TRP A 41 -4.823 5.444 -4.840 1.00 0.00 C ATOM 576 CG TRP A 41 -5.346 5.008 -3.504 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.654 4.832 -3.155 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.572 4.695 -2.341 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.740 4.429 -1.844 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.477 4.336 -1.323 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.203 4.680 -2.061 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.055 3.969 -0.048 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.786 4.316 -0.795 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.709 3.964 0.198 1.00 0.00 C ATOM 0 H TRP A 41 -4.363 8.183 -3.414 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.570 7.190 -6.066 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.407 4.964 -5.625 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.795 5.098 -4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.497 4.987 -3.812 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.605 4.231 -1.340 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.484 4.948 -2.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.765 3.698 0.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.730 4.303 -0.567 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.351 3.683 1.177 1.00 0.00 H new ATOM 595 N GLN A 42 -7.221 6.972 -5.615 1.00 0.00 N ATOM 596 CA GLN A 42 -8.616 7.384 -5.504 1.00 0.00 C ATOM 597 C GLN A 42 -9.550 6.186 -5.645 1.00 0.00 C ATOM 598 O GLN A 42 -9.183 5.142 -6.184 1.00 0.00 O ATOM 599 CB GLN A 42 -8.946 8.431 -6.568 1.00 0.00 C ATOM 600 CG GLN A 42 -8.634 9.855 -6.138 1.00 0.00 C ATOM 601 CD GLN A 42 -9.553 10.874 -6.783 1.00 0.00 C ATOM 602 OE1 GLN A 42 -9.571 11.026 -8.005 1.00 0.00 O ATOM 603 NE2 GLN A 42 -10.323 11.580 -5.963 1.00 0.00 N ATOM 0 H GLN A 42 -7.042 6.279 -6.342 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.762 7.821 -4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.386 8.204 -7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.004 8.360 -6.820 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.719 9.930 -5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.601 10.090 -6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.276 11.422 -4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.961 12.281 -6.340 1.00 0.00 H new ATOM 612 N PRO A 43 -10.787 6.338 -5.149 1.00 0.00 N ATOM 613 CA PRO A 43 -11.799 5.280 -5.208 1.00 0.00 C ATOM 614 C PRO A 43 -12.293 5.029 -6.628 1.00 0.00 C ATOM 615 O PRO A 43 -12.342 5.933 -7.463 1.00 0.00 O ATOM 616 CB PRO A 43 -12.933 5.824 -4.335 1.00 0.00 C ATOM 617 CG PRO A 43 -12.771 7.304 -4.384 1.00 0.00 C ATOM 618 CD PRO A 43 -11.292 7.556 -4.493 1.00 0.00 C ATOM 0 HA PRO A 43 -11.406 4.321 -4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.908 5.519 -4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.860 5.451 -3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.303 7.727 -5.237 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.181 7.771 -3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.078 8.448 -5.082 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.836 7.704 -3.514 1.00 0.00 H new ATOM 626 N PRO A 44 -12.670 3.773 -6.912 1.00 0.00 N ATOM 627 CA PRO A 44 -13.169 3.375 -8.231 1.00 0.00 C ATOM 628 C PRO A 44 -14.545 3.960 -8.532 1.00 0.00 C ATOM 629 O PRO A 44 -15.413 4.007 -7.661 1.00 0.00 O ATOM 630 CB PRO A 44 -13.246 1.849 -8.136 1.00 0.00 C ATOM 631 CG PRO A 44 -13.405 1.568 -6.682 1.00 0.00 C ATOM 632 CD PRO A 44 -12.639 2.645 -5.965 1.00 0.00 C ATOM 0 HA PRO A 44 -12.526 3.734 -9.035 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.087 1.459 -8.709 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.345 1.382 -8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.456 1.580 -6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.018 0.581 -6.431 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.105 2.905 -5.015 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.618 2.333 -5.744 1.00 0.00 H new ATOM 640 N SER A 45 -14.736 4.405 -9.770 1.00 0.00 N ATOM 641 CA SER A 45 -16.006 4.990 -10.184 1.00 0.00 C ATOM 642 C SER A 45 -17.142 3.984 -10.033 1.00 0.00 C ATOM 643 O SER A 45 -18.248 4.338 -9.625 1.00 0.00 O ATOM 644 CB SER A 45 -15.922 5.468 -11.635 1.00 0.00 C ATOM 645 OG SER A 45 -17.119 6.116 -12.029 1.00 0.00 O ATOM 0 H SER A 45 -14.028 4.372 -10.503 1.00 0.00 H new ATOM 0 HA SER A 45 -16.212 5.844 -9.539 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.081 6.152 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.732 4.618 -12.291 1.00 0.00 H new ATOM 0 HG SER A 45 -17.039 6.413 -12.959 1.00 0.00 H new ATOM 651 N GLU A 46 -16.861 2.728 -10.366 1.00 0.00 N ATOM 652 CA GLU A 46 -17.860 1.670 -10.269 1.00 0.00 C ATOM 653 C GLU A 46 -17.865 1.053 -8.873 1.00 0.00 C ATOM 654 O GLU A 46 -17.335 -0.038 -8.663 1.00 0.00 O ATOM 655 CB GLU A 46 -17.592 0.587 -11.316 1.00 0.00 C ATOM 656 CG GLU A 46 -17.693 1.087 -12.748 1.00 0.00 C ATOM 657 CD GLU A 46 -17.447 -0.009 -13.767 1.00 0.00 C ATOM 658 OE1 GLU A 46 -16.476 -0.774 -13.591 1.00 0.00 O ATOM 659 OE2 GLU A 46 -18.225 -0.101 -14.739 1.00 0.00 O ATOM 0 H GLU A 46 -15.950 2.418 -10.705 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.839 2.112 -10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.596 0.175 -11.153 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.302 -0.228 -11.174 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -18.683 1.514 -12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.971 1.889 -12.901 1.00 0.00 H new ATOM 666 N ALA A 47 -18.466 1.760 -7.922 1.00 0.00 N ATOM 667 CA ALA A 47 -18.542 1.282 -6.547 1.00 0.00 C ATOM 668 C ALA A 47 -19.951 0.809 -6.207 1.00 0.00 C ATOM 669 O ALA A 47 -20.645 1.425 -5.399 1.00 0.00 O ATOM 670 CB ALA A 47 -18.103 2.375 -5.584 1.00 0.00 C ATOM 0 H ALA A 47 -18.908 2.666 -8.079 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.868 0.431 -6.446 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.165 2.005 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.075 2.663 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.754 3.242 -5.696 1.00 0.00 H new ATOM 676 N ASN A 48 -20.367 -0.289 -6.829 1.00 0.00 N ATOM 677 CA ASN A 48 -21.695 -0.845 -6.593 1.00 0.00 C ATOM 678 C ASN A 48 -22.113 -0.655 -5.138 1.00 0.00 C ATOM 679 O ASN A 48 -23.295 -0.491 -4.837 1.00 0.00 O ATOM 680 CB ASN A 48 -21.720 -2.332 -6.953 1.00 0.00 C ATOM 681 CG ASN A 48 -21.180 -2.599 -8.344 1.00 0.00 C ATOM 682 OD1 ASN A 48 -19.864 -2.746 -8.450 1.00 0.00 O flip ATOM 683 ND2 ASN A 48 -21.937 -2.673 -9.312 1.00 0.00 N flip ATOM 0 H ASN A 48 -19.804 -0.812 -7.500 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.403 -0.313 -7.228 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -21.131 -2.889 -6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.743 -2.702 -6.886 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -22.942 -2.554 -9.184 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -21.559 -2.854 -10.242 1.00 0.00 H new ATOM 690 N GLY A 49 -21.134 -0.677 -4.239 1.00 0.00 N ATOM 691 CA GLY A 49 -21.420 -0.506 -2.826 1.00 0.00 C ATOM 692 C GLY A 49 -20.751 0.724 -2.245 1.00 0.00 C ATOM 693 O GLY A 49 -20.504 1.700 -2.954 1.00 0.00 O ATOM 0 H GLY A 49 -20.148 -0.810 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.498 -0.432 -2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.086 -1.389 -2.281 1.00 0.00 H new ATOM 697 N LYS A 50 -20.459 0.680 -0.949 1.00 0.00 N ATOM 698 CA LYS A 50 -19.816 1.798 -0.271 1.00 0.00 C ATOM 699 C LYS A 50 -18.417 1.416 0.202 1.00 0.00 C ATOM 700 O LYS A 50 -18.205 0.319 0.720 1.00 0.00 O ATOM 701 CB LYS A 50 -20.662 2.254 0.921 1.00 0.00 C ATOM 702 CG LYS A 50 -20.576 1.325 2.119 1.00 0.00 C ATOM 703 CD LYS A 50 -21.780 1.479 3.032 1.00 0.00 C ATOM 704 CE LYS A 50 -21.771 2.822 3.745 1.00 0.00 C ATOM 705 NZ LYS A 50 -23.133 3.219 4.197 1.00 0.00 N ATOM 0 H LYS A 50 -20.658 -0.119 -0.347 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.729 2.619 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.342 3.252 1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -21.703 2.334 0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -20.508 0.293 1.776 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.665 1.535 2.679 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -22.695 1.382 2.448 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.785 0.675 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.103 2.772 4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -21.373 3.585 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -23.084 4.140 4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -23.765 3.291 3.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -23.503 2.503 4.855 1.00 0.00 H new ATOM 719 N ILE A 51 -17.467 2.327 0.023 1.00 0.00 N ATOM 720 CA ILE A 51 -16.090 2.085 0.434 1.00 0.00 C ATOM 721 C ILE A 51 -15.883 2.445 1.901 1.00 0.00 C ATOM 722 O ILE A 51 -16.440 3.425 2.397 1.00 0.00 O ATOM 723 CB ILE A 51 -15.096 2.889 -0.426 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.447 2.756 -1.909 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.672 2.419 -0.168 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.311 1.346 -2.438 1.00 0.00 C ATOM 0 H ILE A 51 -17.626 3.240 -0.404 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.901 1.021 0.293 1.00 0.00 H new ATOM 0 HB ILE A 51 -15.166 3.941 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.471 3.096 -2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.801 3.416 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.981 2.996 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.427 2.561 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.586 1.362 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.576 1.327 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.282 1.009 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.978 0.684 -1.885 1.00 0.00 H new ATOM 738 N THR A 52 -15.075 1.647 2.592 1.00 0.00 N ATOM 739 CA THR A 52 -14.793 1.881 4.003 1.00 0.00 C ATOM 740 C THR A 52 -13.292 1.873 4.272 1.00 0.00 C ATOM 741 O THR A 52 -12.809 2.567 5.166 1.00 0.00 O ATOM 742 CB THR A 52 -15.468 0.822 4.894 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.903 -0.468 4.637 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.969 0.782 4.645 1.00 0.00 C ATOM 0 H THR A 52 -14.604 0.833 2.197 1.00 0.00 H new ATOM 0 HA THR A 52 -15.198 2.863 4.248 1.00 0.00 H new ATOM 0 HB THR A 52 -15.295 1.093 5.936 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.337 -1.135 5.209 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.424 0.027 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.401 1.757 4.870 1.00 0.00 H new ATOM 0 HG23 THR A 52 -17.158 0.534 3.601 1.00 0.00 H new ATOM 752 N GLY A 53 -12.560 1.084 3.492 1.00 0.00 N ATOM 753 CA GLY A 53 -11.121 1.002 3.663 1.00 0.00 C ATOM 754 C GLY A 53 -10.428 0.393 2.460 1.00 0.00 C ATOM 755 O GLY A 53 -11.079 0.017 1.484 1.00 0.00 O ATOM 0 H GLY A 53 -12.937 0.500 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.722 2.001 3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.897 0.406 4.548 1.00 0.00 H new ATOM 759 N TYR A 54 -9.105 0.296 2.527 1.00 0.00 N ATOM 760 CA TYR A 54 -8.324 -0.269 1.433 1.00 0.00 C ATOM 761 C TYR A 54 -7.188 -1.137 1.966 1.00 0.00 C ATOM 762 O TYR A 54 -6.883 -1.115 3.159 1.00 0.00 O ATOM 763 CB TYR A 54 -7.758 0.848 0.554 1.00 0.00 C ATOM 764 CG TYR A 54 -8.767 1.921 0.213 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.153 2.865 1.157 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.334 1.991 -1.054 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.075 3.846 0.849 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.256 2.969 -1.370 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.624 3.894 -0.415 1.00 0.00 C ATOM 770 OH TYR A 54 -11.542 4.871 -0.726 1.00 0.00 O ATOM 0 H TYR A 54 -8.551 0.601 3.327 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.985 -0.895 0.834 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.911 1.307 1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.376 0.414 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.725 2.831 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.049 1.268 -1.804 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.365 4.572 1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.687 3.010 -2.360 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.478 5.088 -1.680 1.00 0.00 H new ATOM 780 N ILE A 55 -6.566 -1.899 1.073 1.00 0.00 N ATOM 781 CA ILE A 55 -5.463 -2.773 1.453 1.00 0.00 C ATOM 782 C ILE A 55 -4.345 -2.728 0.417 1.00 0.00 C ATOM 783 O ILE A 55 -4.572 -2.974 -0.768 1.00 0.00 O ATOM 784 CB ILE A 55 -5.932 -4.231 1.621 1.00 0.00 C ATOM 785 CG1 ILE A 55 -6.986 -4.325 2.727 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.749 -5.135 1.931 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.816 -5.588 2.664 1.00 0.00 C ATOM 0 H ILE A 55 -6.807 -1.929 0.082 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.086 -2.408 2.408 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.382 -4.563 0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.490 -4.274 3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.648 -3.461 2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.096 -6.162 2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.029 -5.085 1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.272 -4.807 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.542 -5.587 3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.340 -5.631 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.165 -6.457 2.760 1.00 0.00 H new ATOM 799 N ILE A 56 -3.137 -2.414 0.872 1.00 0.00 N ATOM 800 CA ILE A 56 -1.982 -2.339 -0.014 1.00 0.00 C ATOM 801 C ILE A 56 -1.074 -3.551 0.163 1.00 0.00 C ATOM 802 O ILE A 56 -0.855 -4.017 1.281 1.00 0.00 O ATOM 803 CB ILE A 56 -1.164 -1.058 0.233 1.00 0.00 C ATOM 804 CG1 ILE A 56 -2.005 0.180 -0.089 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.108 -1.072 -0.602 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.352 1.479 0.329 1.00 0.00 C ATOM 0 H ILE A 56 -2.932 -2.207 1.850 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.367 -2.322 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.884 -1.021 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.199 0.209 -1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.971 0.092 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.675 -0.160 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.713 -1.937 -0.330 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.151 -1.129 -1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.004 2.314 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.183 1.471 1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.398 1.590 -0.187 1.00 0.00 H new ATOM 818 N TYR A 57 -0.546 -4.055 -0.947 1.00 0.00 N ATOM 819 CA TYR A 57 0.340 -5.213 -0.914 1.00 0.00 C ATOM 820 C TYR A 57 1.663 -4.907 -1.610 1.00 0.00 C ATOM 821 O TYR A 57 1.685 -4.411 -2.736 1.00 0.00 O ATOM 822 CB TYR A 57 -0.333 -6.414 -1.581 1.00 0.00 C ATOM 823 CG TYR A 57 -1.753 -6.648 -1.115 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.797 -5.859 -1.583 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.050 -7.657 -0.207 1.00 0.00 C ATOM 826 CE1 TYR A 57 -4.095 -6.069 -1.160 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.345 -7.875 0.220 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.365 -7.078 -0.259 1.00 0.00 C ATOM 829 OH TYR A 57 -5.656 -7.290 0.166 1.00 0.00 O ATOM 0 H TYR A 57 -0.716 -3.680 -1.880 1.00 0.00 H new ATOM 0 HA TYR A 57 0.546 -5.452 0.129 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.334 -6.266 -2.661 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.258 -7.308 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.590 -5.069 -2.289 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.254 -8.282 0.171 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.895 -5.446 -1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.559 -8.665 0.925 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.275 -7.137 -0.578 1.00 0.00 H new ATOM 839 N TYR A 58 2.764 -5.207 -0.929 1.00 0.00 N ATOM 840 CA TYR A 58 4.092 -4.963 -1.479 1.00 0.00 C ATOM 841 C TYR A 58 5.065 -6.061 -1.060 1.00 0.00 C ATOM 842 O TYR A 58 5.027 -6.540 0.073 1.00 0.00 O ATOM 843 CB TYR A 58 4.614 -3.601 -1.020 1.00 0.00 C ATOM 844 CG TYR A 58 5.086 -3.585 0.416 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.242 -4.255 0.796 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.374 -2.901 1.394 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.676 -4.244 2.108 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.801 -2.883 2.708 1.00 0.00 C ATOM 849 CZ TYR A 58 5.952 -3.557 3.060 1.00 0.00 C ATOM 850 OH TYR A 58 6.381 -3.543 4.367 1.00 0.00 O ATOM 0 H TYR A 58 2.763 -5.619 0.004 1.00 0.00 H new ATOM 0 HA TYR A 58 4.014 -4.967 -2.566 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.438 -3.300 -1.668 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.825 -2.859 -1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.811 -4.794 0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.471 -2.374 1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.577 -4.770 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.237 -2.344 3.455 1.00 0.00 H new ATOM 0 HH TYR A 58 5.760 -3.014 4.910 1.00 0.00 H new ATOM 860 N SER A 59 5.936 -6.454 -1.984 1.00 0.00 N ATOM 861 CA SER A 59 6.918 -7.498 -1.713 1.00 0.00 C ATOM 862 C SER A 59 8.100 -7.393 -2.672 1.00 0.00 C ATOM 863 O SER A 59 7.944 -7.006 -3.830 1.00 0.00 O ATOM 864 CB SER A 59 6.271 -8.879 -1.832 1.00 0.00 C ATOM 865 OG SER A 59 7.226 -9.908 -1.636 1.00 0.00 O ATOM 0 H SER A 59 5.982 -6.066 -2.926 1.00 0.00 H new ATOM 0 HA SER A 59 7.285 -7.363 -0.695 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.472 -8.975 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.813 -8.986 -2.815 1.00 0.00 H new ATOM 0 HG SER A 59 6.787 -10.781 -1.715 1.00 0.00 H new ATOM 871 N THR A 60 9.285 -7.742 -2.181 1.00 0.00 N ATOM 872 CA THR A 60 10.495 -7.686 -2.991 1.00 0.00 C ATOM 873 C THR A 60 10.323 -8.465 -4.290 1.00 0.00 C ATOM 874 O THR A 60 10.899 -8.110 -5.319 1.00 0.00 O ATOM 875 CB THR A 60 11.710 -8.247 -2.227 1.00 0.00 C ATOM 876 OG1 THR A 60 11.449 -9.593 -1.813 1.00 0.00 O ATOM 877 CG2 THR A 60 12.027 -7.390 -1.011 1.00 0.00 C ATOM 0 H THR A 60 9.432 -8.067 -1.225 1.00 0.00 H new ATOM 0 HA THR A 60 10.673 -6.635 -3.220 1.00 0.00 H new ATOM 0 HB THR A 60 12.570 -8.233 -2.896 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.226 -9.943 -1.330 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.888 -7.805 -0.488 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.253 -6.373 -1.332 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.167 -7.377 -0.341 1.00 0.00 H new ATOM 885 N ASP A 61 9.526 -9.527 -4.237 1.00 0.00 N ATOM 886 CA ASP A 61 9.276 -10.355 -5.411 1.00 0.00 C ATOM 887 C ASP A 61 7.955 -9.975 -6.073 1.00 0.00 C ATOM 888 O ASP A 61 6.987 -9.629 -5.396 1.00 0.00 O ATOM 889 CB ASP A 61 9.260 -11.834 -5.023 1.00 0.00 C ATOM 890 CG ASP A 61 9.686 -12.736 -6.165 1.00 0.00 C ATOM 891 OD1 ASP A 61 9.695 -12.266 -7.321 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.011 -13.914 -5.902 1.00 0.00 O ATOM 0 H ASP A 61 9.042 -9.835 -3.393 1.00 0.00 H new ATOM 0 HA ASP A 61 10.081 -10.183 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.924 -11.991 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.257 -12.111 -4.700 1.00 0.00 H new ATOM 897 N VAL A 62 7.924 -10.041 -7.400 1.00 0.00 N ATOM 898 CA VAL A 62 6.722 -9.703 -8.154 1.00 0.00 C ATOM 899 C VAL A 62 5.978 -10.960 -8.592 1.00 0.00 C ATOM 900 O VAL A 62 4.807 -10.901 -8.965 1.00 0.00 O ATOM 901 CB VAL A 62 7.058 -8.859 -9.398 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.792 -9.700 -10.432 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.793 -8.256 -9.989 1.00 0.00 C ATOM 0 H VAL A 62 8.717 -10.325 -7.975 1.00 0.00 H new ATOM 0 HA VAL A 62 6.085 -9.119 -7.490 1.00 0.00 H new ATOM 0 HB VAL A 62 7.715 -8.043 -9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.021 -9.087 -11.304 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.719 -10.079 -10.001 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.163 -10.538 -10.733 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.049 -7.663 -10.867 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.109 -9.055 -10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.313 -7.618 -9.247 1.00 0.00 H new ATOM 913 N ASN A 63 6.665 -12.096 -8.543 1.00 0.00 N ATOM 914 CA ASN A 63 6.069 -13.368 -8.934 1.00 0.00 C ATOM 915 C ASN A 63 5.529 -14.113 -7.718 1.00 0.00 C ATOM 916 O ASN A 63 4.731 -15.041 -7.849 1.00 0.00 O ATOM 917 CB ASN A 63 7.098 -14.235 -9.662 1.00 0.00 C ATOM 918 CG ASN A 63 8.013 -13.420 -10.555 1.00 0.00 C ATOM 919 OD1 ASN A 63 9.162 -13.150 -10.205 1.00 0.00 O ATOM 920 ND2 ASN A 63 7.506 -13.022 -11.716 1.00 0.00 N ATOM 0 H ASN A 63 7.636 -12.162 -8.236 1.00 0.00 H new ATOM 0 HA ASN A 63 5.238 -13.159 -9.608 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.697 -14.775 -8.929 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.579 -14.982 -10.263 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.074 -12.470 -12.358 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.548 -13.269 -11.966 1.00 0.00 H new ATOM 927 N ALA A 64 5.969 -13.700 -6.534 1.00 0.00 N ATOM 928 CA ALA A 64 5.528 -14.326 -5.294 1.00 0.00 C ATOM 929 C ALA A 64 4.006 -14.343 -5.199 1.00 0.00 C ATOM 930 O ALA A 64 3.331 -13.479 -5.756 1.00 0.00 O ATOM 931 CB ALA A 64 6.125 -13.602 -4.096 1.00 0.00 C ATOM 0 H ALA A 64 6.631 -12.934 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 64 5.878 -15.358 -5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.787 -14.080 -3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.213 -13.646 -4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.803 -12.561 -4.103 1.00 0.00 H new ATOM 937 N GLU A 65 3.473 -15.334 -4.490 1.00 0.00 N ATOM 938 CA GLU A 65 2.031 -15.464 -4.324 1.00 0.00 C ATOM 939 C GLU A 65 1.499 -14.422 -3.344 1.00 0.00 C ATOM 940 O GLU A 65 2.100 -14.176 -2.298 1.00 0.00 O ATOM 941 CB GLU A 65 1.675 -16.869 -3.833 1.00 0.00 C ATOM 942 CG GLU A 65 1.603 -17.902 -4.945 1.00 0.00 C ATOM 943 CD GLU A 65 1.148 -19.261 -4.451 1.00 0.00 C ATOM 944 OE1 GLU A 65 1.919 -19.915 -3.718 1.00 0.00 O ATOM 945 OE2 GLU A 65 0.020 -19.670 -4.797 1.00 0.00 O ATOM 0 H GLU A 65 4.019 -16.058 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 65 1.564 -15.297 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.416 -17.187 -3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.714 -16.833 -3.319 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.917 -17.552 -5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.584 -17.999 -5.410 1.00 0.00 H new ATOM 952 N ILE A 66 0.371 -13.813 -3.691 1.00 0.00 N ATOM 953 CA ILE A 66 -0.242 -12.798 -2.843 1.00 0.00 C ATOM 954 C ILE A 66 -0.066 -13.137 -1.366 1.00 0.00 C ATOM 955 O ILE A 66 0.049 -12.247 -0.523 1.00 0.00 O ATOM 956 CB ILE A 66 -1.743 -12.642 -3.146 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.287 -11.368 -2.496 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.512 -13.861 -2.660 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.884 -10.101 -3.218 1.00 0.00 C ATOM 0 H ILE A 66 -0.138 -14.005 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 66 0.264 -11.857 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.874 -12.561 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.375 -11.425 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.935 -11.317 -1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.572 -13.735 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.139 -14.752 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.377 -13.971 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.305 -9.238 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.797 -10.020 -3.232 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.259 -10.130 -4.241 1.00 0.00 H new ATOM 971 N HIS A 67 -0.043 -14.430 -1.060 1.00 0.00 N ATOM 972 CA HIS A 67 0.122 -14.888 0.315 1.00 0.00 C ATOM 973 C HIS A 67 1.379 -14.289 0.940 1.00 0.00 C ATOM 974 O HIS A 67 1.339 -13.756 2.048 1.00 0.00 O ATOM 975 CB HIS A 67 0.192 -16.414 0.362 1.00 0.00 C ATOM 976 CG HIS A 67 -0.681 -17.086 -0.653 1.00 0.00 C ATOM 977 ND1 HIS A 67 -0.266 -18.162 -1.408 1.00 0.00 N ATOM 978 CD2 HIS A 67 -1.954 -16.829 -1.034 1.00 0.00 C ATOM 979 CE1 HIS A 67 -1.245 -18.537 -2.212 1.00 0.00 C ATOM 980 NE2 HIS A 67 -2.281 -17.744 -2.003 1.00 0.00 N ATOM 0 H HIS A 67 -0.137 -15.179 -1.746 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.742 -14.554 0.889 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.224 -16.727 0.205 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.096 -16.752 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.593 -16.049 -0.647 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.205 -19.352 -2.919 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.179 -17.802 -2.484 1.00 0.00 H new ATOM 989 N ASP A 68 2.493 -14.383 0.221 1.00 0.00 N ATOM 990 CA ASP A 68 3.761 -13.850 0.705 1.00 0.00 C ATOM 991 C ASP A 68 3.700 -12.332 0.834 1.00 0.00 C ATOM 992 O ASP A 68 4.281 -11.753 1.751 1.00 0.00 O ATOM 993 CB ASP A 68 4.898 -14.249 -0.238 1.00 0.00 C ATOM 994 CG ASP A 68 6.261 -13.870 0.307 1.00 0.00 C ATOM 995 OD1 ASP A 68 6.601 -12.669 0.271 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.989 -14.775 0.768 1.00 0.00 O ATOM 0 H ASP A 68 2.543 -14.823 -0.698 1.00 0.00 H new ATOM 0 HA ASP A 68 3.951 -14.272 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.864 -15.325 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.750 -13.768 -1.205 1.00 0.00 H new ATOM 1001 N TRP A 69 2.992 -11.693 -0.091 1.00 0.00 N ATOM 1002 CA TRP A 69 2.856 -10.241 -0.081 1.00 0.00 C ATOM 1003 C TRP A 69 2.303 -9.755 1.254 1.00 0.00 C ATOM 1004 O TRP A 69 1.320 -10.295 1.763 1.00 0.00 O ATOM 1005 CB TRP A 69 1.944 -9.786 -1.221 1.00 0.00 C ATOM 1006 CG TRP A 69 2.551 -9.972 -2.579 1.00 0.00 C ATOM 1007 CD1 TRP A 69 2.902 -11.155 -3.164 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.880 -8.944 -3.519 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.430 -10.924 -4.412 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.426 -9.575 -4.653 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.764 -7.551 -3.514 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.856 -8.860 -5.768 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.191 -6.843 -4.621 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.731 -7.498 -5.736 1.00 0.00 C ATOM 0 H TRP A 69 2.504 -12.157 -0.857 1.00 0.00 H new ATOM 0 HA TRP A 69 3.846 -9.807 -0.222 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.007 -10.341 -1.171 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.698 -8.733 -1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.782 -12.129 -2.713 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.769 -11.640 -5.054 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.348 -7.037 -2.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.273 -9.363 -6.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.107 -5.766 -4.627 1.00 0.00 H new ATOM 0 HH2 TRP A 69 4.055 -6.916 -6.586 1.00 0.00 H new ATOM 1025 N VAL A 70 2.939 -8.733 1.817 1.00 0.00 N ATOM 1026 CA VAL A 70 2.509 -8.174 3.093 1.00 0.00 C ATOM 1027 C VAL A 70 1.150 -7.494 2.965 1.00 0.00 C ATOM 1028 O VAL A 70 0.758 -7.068 1.878 1.00 0.00 O ATOM 1029 CB VAL A 70 3.531 -7.155 3.632 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.467 -5.861 2.836 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.291 -6.894 5.112 1.00 0.00 C ATOM 0 H VAL A 70 3.754 -8.275 1.409 1.00 0.00 H new ATOM 0 HA VAL A 70 2.432 -9.006 3.793 1.00 0.00 H new ATOM 0 HB VAL A 70 4.531 -7.573 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.196 -5.154 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.692 -6.066 1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.467 -5.434 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.021 -6.172 5.477 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.286 -6.496 5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.394 -7.826 5.667 1.00 0.00 H new ATOM 1041 N ILE A 71 0.436 -7.397 4.081 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.878 -6.767 4.094 1.00 0.00 C ATOM 1043 C ILE A 71 -0.846 -5.442 4.849 1.00 0.00 C ATOM 1044 O ILE A 71 -0.709 -5.417 6.071 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.936 -7.685 4.736 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.079 -8.977 3.929 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.272 -6.965 4.836 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.878 -10.047 4.639 1.00 0.00 C ATOM 0 H ILE A 71 0.745 -7.747 4.988 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.150 -6.583 3.055 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.609 -7.943 5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.557 -8.750 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.086 -9.366 3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.009 -7.627 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.159 -6.071 5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.607 -6.680 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.939 -10.934 4.009 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.389 -10.302 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.883 -9.676 4.842 1.00 0.00 H new ATOM 1060 N GLU A 72 -0.975 -4.344 4.111 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.962 -3.015 4.711 1.00 0.00 C ATOM 1062 C GLU A 72 -2.356 -2.394 4.687 1.00 0.00 C ATOM 1063 O GLU A 72 -2.717 -1.653 3.772 1.00 0.00 O ATOM 1064 CB GLU A 72 0.026 -2.109 3.974 1.00 0.00 C ATOM 1065 CG GLU A 72 1.435 -2.157 4.540 1.00 0.00 C ATOM 1066 CD GLU A 72 1.551 -1.450 5.877 1.00 0.00 C ATOM 1067 OE1 GLU A 72 0.541 -1.391 6.607 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.654 -0.956 6.192 1.00 0.00 O ATOM 0 H GLU A 72 -1.090 -4.348 3.097 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.646 -3.115 5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.056 -2.397 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.337 -1.082 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.741 -3.197 4.655 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.124 -1.699 3.830 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.158 -2.702 5.716 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.525 -2.184 5.837 1.00 0.00 C ATOM 1077 C PRO A 73 -4.554 -0.689 6.135 1.00 0.00 C ATOM 1078 O PRO A 73 -3.832 -0.205 7.007 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.101 -2.975 7.014 1.00 0.00 C ATOM 1080 CG PRO A 73 -3.913 -3.369 7.824 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.794 -3.579 6.842 1.00 0.00 C ATOM 0 HA PRO A 73 -5.088 -2.300 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.794 -2.369 7.597 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.654 -3.850 6.671 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.658 -2.593 8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.111 -4.279 8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.829 -3.306 7.268 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.722 -4.622 6.532 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.393 0.039 5.405 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.518 1.479 5.592 1.00 0.00 C ATOM 1091 C VAL A 74 -6.816 1.830 6.310 1.00 0.00 C ATOM 1092 O VAL A 74 -7.899 1.762 5.727 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.471 2.226 4.246 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.488 3.731 4.469 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.243 1.811 3.449 1.00 0.00 C ATOM 0 H VAL A 74 -5.997 -0.346 4.678 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.672 1.793 6.203 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.357 1.958 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.454 4.242 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.400 4.010 4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.622 4.020 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.226 2.349 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.343 2.048 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.279 0.739 3.257 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.701 2.205 7.580 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.866 2.569 8.378 1.00 0.00 C ATOM 1107 C VAL A 75 -8.668 3.678 7.707 1.00 0.00 C ATOM 1108 O VAL A 75 -8.223 4.274 6.727 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.457 3.028 9.791 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.693 1.927 10.510 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.629 4.302 9.717 1.00 0.00 C ATOM 0 H VAL A 75 -5.813 2.265 8.078 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.486 1.676 8.459 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.361 3.241 10.361 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.413 2.270 11.506 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.324 1.042 10.595 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.794 1.679 9.945 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.348 4.613 10.723 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.729 4.118 9.130 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.215 5.090 9.244 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.854 3.951 8.243 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.699 4.989 7.684 1.00 0.00 C ATOM 1123 C GLY A 76 -10.794 4.909 6.173 1.00 0.00 C ATOM 1124 O GLY A 76 -10.424 3.899 5.575 1.00 0.00 O ATOM 0 H GLY A 76 -10.244 3.472 9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.698 4.910 8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.307 5.965 7.969 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.291 5.975 5.555 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.435 6.019 4.104 1.00 0.00 C ATOM 1130 C ASN A 77 -10.189 6.611 3.452 1.00 0.00 C ATOM 1131 O ASN A 77 -10.171 6.872 2.249 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.666 6.842 3.718 1.00 0.00 C ATOM 1133 CG ASN A 77 -13.056 6.653 2.265 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -13.656 5.642 1.898 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -12.714 7.627 1.429 1.00 0.00 N ATOM 0 H ASN A 77 -11.601 6.820 6.036 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.561 4.998 3.745 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -13.503 6.559 4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.467 7.897 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.948 7.555 0.439 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.217 8.447 1.777 1.00 0.00 H new ATOM 1142 N ARG A 78 -9.150 6.819 4.254 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.900 7.380 3.755 1.00 0.00 C ATOM 1144 C ARG A 78 -7.589 6.855 2.356 1.00 0.00 C ATOM 1145 O ARG A 78 -7.965 5.736 2.003 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.750 7.043 4.705 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.657 8.099 4.737 1.00 0.00 C ATOM 1148 CD ARG A 78 -4.989 8.168 6.101 1.00 0.00 C ATOM 1149 NE ARG A 78 -5.964 8.193 7.188 1.00 0.00 N ATOM 1150 CZ ARG A 78 -6.660 9.273 7.526 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -6.490 10.409 6.864 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -7.529 9.217 8.527 1.00 0.00 N ATOM 0 H ARG A 78 -9.149 6.608 5.252 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.012 8.463 3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.148 6.913 5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.313 6.089 4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.910 7.874 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.082 9.072 4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.330 7.309 6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.364 9.060 6.154 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.119 7.334 7.717 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.824 10.455 6.093 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.026 11.237 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.663 8.344 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.063 10.047 8.786 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.901 7.669 1.564 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.539 7.288 0.203 1.00 0.00 C ATOM 1168 C LEU A 79 -5.025 7.292 0.021 1.00 0.00 C ATOM 1169 O LEU A 79 -4.520 7.108 -1.087 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.188 8.239 -0.804 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.691 8.467 -0.640 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -9.176 9.540 -1.601 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.454 7.169 -0.857 1.00 0.00 C ATOM 0 H LEU A 79 -6.582 8.598 1.841 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.905 6.277 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.685 9.204 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.007 7.853 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.878 8.809 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.248 9.688 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.653 10.474 -1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.976 9.228 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.522 7.350 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.260 6.797 -1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.127 6.428 -0.127 1.00 0.00 H new ATOM 1185 N THR A 80 -4.302 7.502 1.117 1.00 0.00 N ATOM 1186 CA THR A 80 -2.846 7.530 1.080 1.00 0.00 C ATOM 1187 C THR A 80 -2.251 6.737 2.238 1.00 0.00 C ATOM 1188 O THR A 80 -2.849 6.641 3.310 1.00 0.00 O ATOM 1189 CB THR A 80 -2.309 8.973 1.130 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.882 8.961 1.247 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.912 9.733 2.302 1.00 0.00 C ATOM 0 H THR A 80 -4.703 7.655 2.042 1.00 0.00 H new ATOM 0 HA THR A 80 -2.546 7.072 0.138 1.00 0.00 H new ATOM 0 HB THR A 80 -2.593 9.476 0.205 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.548 9.882 1.276 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.519 10.749 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.996 9.765 2.196 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.654 9.230 3.234 1.00 0.00 H new ATOM 1199 N HIS A 81 -1.068 6.171 2.016 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.391 5.388 3.043 1.00 0.00 C ATOM 1201 C HIS A 81 1.101 5.706 3.074 1.00 0.00 C ATOM 1202 O HIS A 81 1.704 5.995 2.041 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.601 3.893 2.795 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.598 3.072 4.048 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -1.180 3.493 5.225 1.00 0.00 N ATOM 1206 CD2 HIS A 81 -0.081 1.848 4.302 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -1.020 2.564 6.150 1.00 0.00 C ATOM 1208 NE2 HIS A 81 -0.356 1.555 5.615 1.00 0.00 N ATOM 0 H HIS A 81 -0.559 6.240 1.135 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.821 5.653 4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.550 3.749 2.278 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.183 3.530 2.130 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.449 1.219 3.603 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.372 2.620 7.170 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.091 0.697 6.099 1.00 0.00 H new ATOM 1217 N GLN A 82 1.688 5.651 4.265 1.00 0.00 N ATOM 1218 CA GLN A 82 3.109 5.935 4.429 1.00 0.00 C ATOM 1219 C GLN A 82 3.852 4.710 4.950 1.00 0.00 C ATOM 1220 O GLN A 82 3.880 4.455 6.155 1.00 0.00 O ATOM 1221 CB GLN A 82 3.308 7.112 5.386 1.00 0.00 C ATOM 1222 CG GLN A 82 3.291 8.467 4.696 1.00 0.00 C ATOM 1223 CD GLN A 82 2.820 9.581 5.609 1.00 0.00 C ATOM 1224 OE1 GLN A 82 1.999 9.363 6.501 1.00 0.00 O ATOM 1225 NE2 GLN A 82 3.338 10.784 5.392 1.00 0.00 N ATOM 0 H GLN A 82 1.202 5.413 5.130 1.00 0.00 H new ATOM 0 HA GLN A 82 3.517 6.197 3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.525 7.090 6.144 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.258 6.990 5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.293 8.698 4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.640 8.418 3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.015 10.920 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.059 11.572 5.976 1.00 0.00 H new ATOM 1234 N ILE A 83 4.452 3.955 4.036 1.00 0.00 N ATOM 1235 CA ILE A 83 5.196 2.757 4.404 1.00 0.00 C ATOM 1236 C ILE A 83 6.652 3.088 4.718 1.00 0.00 C ATOM 1237 O ILE A 83 7.387 3.570 3.857 1.00 0.00 O ATOM 1238 CB ILE A 83 5.152 1.700 3.285 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.702 1.383 2.911 1.00 0.00 C ATOM 1240 CG2 ILE A 83 5.881 0.438 3.719 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.573 0.476 1.707 1.00 0.00 C ATOM 0 H ILE A 83 4.437 4.152 3.035 1.00 0.00 H new ATOM 0 HA ILE A 83 4.718 2.351 5.295 1.00 0.00 H new ATOM 0 HB ILE A 83 5.655 2.102 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.210 0.914 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.175 2.316 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.841 -0.299 2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 83 6.921 0.677 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.404 0.031 4.611 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.518 0.294 1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.036 0.951 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.072 -0.472 1.910 1.00 0.00 H new ATOM 1253 N GLN A 84 7.060 2.824 5.955 1.00 0.00 N ATOM 1254 CA GLN A 84 8.428 3.093 6.381 1.00 0.00 C ATOM 1255 C GLN A 84 9.206 1.795 6.566 1.00 0.00 C ATOM 1256 O GLN A 84 8.683 0.707 6.325 1.00 0.00 O ATOM 1257 CB GLN A 84 8.431 3.894 7.684 1.00 0.00 C ATOM 1258 CG GLN A 84 7.484 5.083 7.669 1.00 0.00 C ATOM 1259 CD GLN A 84 7.891 6.165 8.650 1.00 0.00 C ATOM 1260 OE1 GLN A 84 8.630 5.910 9.602 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.410 7.382 8.424 1.00 0.00 N ATOM 0 H GLN A 84 6.463 2.424 6.679 1.00 0.00 H new ATOM 0 HA GLN A 84 8.915 3.679 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.159 3.234 8.507 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.443 4.248 7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.450 5.503 6.664 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.476 4.743 7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.801 7.549 7.623 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.650 8.150 9.051 1.00 0.00 H new ATOM 1270 N GLU A 85 10.458 1.917 6.996 1.00 0.00 N ATOM 1271 CA GLU A 85 11.308 0.751 7.212 1.00 0.00 C ATOM 1272 C GLU A 85 11.482 -0.042 5.921 1.00 0.00 C ATOM 1273 O GLU A 85 11.446 -1.274 5.926 1.00 0.00 O ATOM 1274 CB GLU A 85 10.713 -0.146 8.299 1.00 0.00 C ATOM 1275 CG GLU A 85 10.429 0.582 9.602 1.00 0.00 C ATOM 1276 CD GLU A 85 11.660 0.708 10.480 1.00 0.00 C ATOM 1277 OE1 GLU A 85 12.379 -0.299 10.642 1.00 0.00 O ATOM 1278 OE2 GLU A 85 11.903 1.816 11.004 1.00 0.00 O ATOM 0 H GLU A 85 10.906 2.810 7.202 1.00 0.00 H new ATOM 0 HA GLU A 85 12.288 1.102 7.536 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.787 -0.585 7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.400 -0.969 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.041 1.577 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.650 0.050 10.149 1.00 0.00 H new ATOM 1285 N LEU A 86 11.669 0.671 4.816 1.00 0.00 N ATOM 1286 CA LEU A 86 11.848 0.034 3.515 1.00 0.00 C ATOM 1287 C LEU A 86 13.319 0.027 3.111 1.00 0.00 C ATOM 1288 O LEU A 86 14.132 0.765 3.669 1.00 0.00 O ATOM 1289 CB LEU A 86 11.019 0.757 2.453 1.00 0.00 C ATOM 1290 CG LEU A 86 9.521 0.448 2.446 1.00 0.00 C ATOM 1291 CD1 LEU A 86 8.788 1.382 1.496 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.278 -1.005 2.062 1.00 0.00 C ATOM 0 H LEU A 86 11.701 1.690 4.794 1.00 0.00 H new ATOM 0 HA LEU A 86 11.506 -0.998 3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.148 1.831 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.425 0.509 1.472 1.00 0.00 H new ATOM 0 HG LEU A 86 9.132 0.607 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.724 1.147 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.935 2.414 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.180 1.255 0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.207 -1.207 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.682 -1.191 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.771 -1.659 2.782 1.00 0.00 H new ATOM 1304 N THR A 87 13.655 -0.810 2.134 1.00 0.00 N ATOM 1305 CA THR A 87 15.027 -0.913 1.654 1.00 0.00 C ATOM 1306 C THR A 87 15.335 0.176 0.632 1.00 0.00 C ATOM 1307 O THR A 87 14.428 0.733 0.011 1.00 0.00 O ATOM 1308 CB THR A 87 15.298 -2.289 1.017 1.00 0.00 C ATOM 1309 OG1 THR A 87 14.879 -3.331 1.905 1.00 0.00 O ATOM 1310 CG2 THR A 87 16.775 -2.455 0.694 1.00 0.00 C ATOM 0 H THR A 87 12.995 -1.426 1.660 1.00 0.00 H new ATOM 0 HA THR A 87 15.675 -0.788 2.521 1.00 0.00 H new ATOM 0 HB THR A 87 14.730 -2.353 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.983 -3.636 1.652 1.00 0.00 H new ATOM 0 HG21 THR A 87 16.941 -3.434 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.084 -1.678 -0.005 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.359 -2.372 1.610 1.00 0.00 H new ATOM 1318 N LEU A 88 16.617 0.476 0.462 1.00 0.00 N ATOM 1319 CA LEU A 88 17.045 1.499 -0.485 1.00 0.00 C ATOM 1320 C LEU A 88 17.643 0.866 -1.737 1.00 0.00 C ATOM 1321 O LEU A 88 18.039 -0.300 -1.727 1.00 0.00 O ATOM 1322 CB LEU A 88 18.068 2.431 0.167 1.00 0.00 C ATOM 1323 CG LEU A 88 17.701 2.966 1.552 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.813 3.851 2.094 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.387 3.730 1.498 1.00 0.00 C ATOM 0 H LEU A 88 17.379 0.025 0.968 1.00 0.00 H new ATOM 0 HA LEU A 88 16.169 2.078 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.017 1.900 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.231 3.280 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 88 17.577 2.119 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.534 4.223 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.734 3.272 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 88 18.969 4.693 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.142 4.103 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.482 4.569 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.594 3.066 1.154 1.00 0.00 H new ATOM 1337 N ASP A 89 17.708 1.642 -2.813 1.00 0.00 N ATOM 1338 CA ASP A 89 18.261 1.158 -4.073 1.00 0.00 C ATOM 1339 C ASP A 89 17.760 -0.249 -4.382 1.00 0.00 C ATOM 1340 O ASP A 89 18.536 -1.128 -4.758 1.00 0.00 O ATOM 1341 CB ASP A 89 19.790 1.169 -4.021 1.00 0.00 C ATOM 1342 CG ASP A 89 20.416 0.637 -5.295 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.235 1.271 -6.355 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.089 -0.413 -5.231 1.00 0.00 O ATOM 0 H ASP A 89 17.385 2.609 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 89 17.927 1.825 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.137 2.187 -3.847 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.126 0.568 -3.176 1.00 0.00 H new ATOM 1349 N THR A 90 16.457 -0.456 -4.220 1.00 0.00 N ATOM 1350 CA THR A 90 15.852 -1.757 -4.479 1.00 0.00 C ATOM 1351 C THR A 90 14.474 -1.606 -5.113 1.00 0.00 C ATOM 1352 O THR A 90 13.625 -0.851 -4.638 1.00 0.00 O ATOM 1353 CB THR A 90 15.722 -2.583 -3.186 1.00 0.00 C ATOM 1354 OG1 THR A 90 16.974 -2.607 -2.491 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.281 -4.006 -3.495 1.00 0.00 C ATOM 0 H THR A 90 15.800 0.261 -3.911 1.00 0.00 H new ATOM 0 HA THR A 90 16.512 -2.280 -5.171 1.00 0.00 H new ATOM 0 HB THR A 90 14.966 -2.113 -2.556 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.168 -1.715 -2.135 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.196 -4.570 -2.566 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.314 -3.986 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.017 -4.482 -4.143 1.00 0.00 H new ATOM 1363 N PRO A 91 14.243 -2.340 -6.211 1.00 0.00 N ATOM 1364 CA PRO A 91 12.968 -2.306 -6.933 1.00 0.00 C ATOM 1365 C PRO A 91 11.836 -2.954 -6.142 1.00 0.00 C ATOM 1366 O PRO A 91 11.783 -4.176 -6.005 1.00 0.00 O ATOM 1367 CB PRO A 91 13.258 -3.106 -8.205 1.00 0.00 C ATOM 1368 CG PRO A 91 14.377 -4.016 -7.832 1.00 0.00 C ATOM 1369 CD PRO A 91 15.209 -3.261 -6.832 1.00 0.00 C ATOM 0 HA PRO A 91 12.634 -1.286 -7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.382 -3.668 -8.528 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.538 -2.451 -9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.999 -4.944 -7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.968 -4.286 -8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.657 -3.929 -6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 91 16.025 -2.723 -7.313 1.00 0.00 H new ATOM 1377 N TYR A 92 10.934 -2.128 -5.624 1.00 0.00 N ATOM 1378 CA TYR A 92 9.804 -2.622 -4.845 1.00 0.00 C ATOM 1379 C TYR A 92 8.504 -2.501 -5.635 1.00 0.00 C ATOM 1380 O TYR A 92 8.278 -1.512 -6.333 1.00 0.00 O ATOM 1381 CB TYR A 92 9.689 -1.850 -3.530 1.00 0.00 C ATOM 1382 CG TYR A 92 10.463 -2.474 -2.391 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.847 -2.589 -2.446 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.811 -2.949 -1.260 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.558 -3.159 -1.409 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.515 -3.520 -0.217 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.888 -3.623 -0.296 1.00 0.00 C ATOM 1388 OH TYR A 92 12.593 -4.191 0.740 1.00 0.00 O ATOM 0 H TYR A 92 10.963 -1.114 -5.729 1.00 0.00 H new ATOM 0 HA TYR A 92 9.978 -3.676 -4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.045 -0.831 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.638 -1.782 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.375 -2.226 -3.315 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.736 -2.871 -1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.633 -3.241 -1.469 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.993 -3.884 0.656 1.00 0.00 H new ATOM 0 HH TYR A 92 11.972 -4.464 1.447 1.00 0.00 H new ATOM 1398 N TYR A 93 7.653 -3.514 -5.518 1.00 0.00 N ATOM 1399 CA TYR A 93 6.376 -3.524 -6.221 1.00 0.00 C ATOM 1400 C TYR A 93 5.218 -3.305 -5.252 1.00 0.00 C ATOM 1401 O TYR A 93 5.044 -4.059 -4.294 1.00 0.00 O ATOM 1402 CB TYR A 93 6.189 -4.848 -6.965 1.00 0.00 C ATOM 1403 CG TYR A 93 7.413 -5.286 -7.737 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.440 -5.983 -7.112 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.542 -5.004 -9.091 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.560 -6.385 -7.814 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.658 -5.403 -9.801 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.664 -6.093 -9.158 1.00 0.00 C ATOM 1409 OH TYR A 93 10.778 -6.493 -9.861 1.00 0.00 O ATOM 0 H TYR A 93 7.824 -4.339 -4.943 1.00 0.00 H new ATOM 0 HA TYR A 93 6.382 -2.707 -6.942 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.925 -5.625 -6.247 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.350 -4.753 -7.654 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.361 -6.214 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.756 -4.463 -9.598 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.350 -6.925 -7.313 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.742 -5.176 -10.853 1.00 0.00 H new ATOM 0 HH TYR A 93 10.694 -6.210 -10.795 1.00 0.00 H new ATOM 1419 N PHE A 94 4.430 -2.266 -5.507 1.00 0.00 N ATOM 1420 CA PHE A 94 3.288 -1.946 -4.658 1.00 0.00 C ATOM 1421 C PHE A 94 1.975 -2.236 -5.379 1.00 0.00 C ATOM 1422 O PHE A 94 1.914 -2.229 -6.609 1.00 0.00 O ATOM 1423 CB PHE A 94 3.337 -0.476 -4.235 1.00 0.00 C ATOM 1424 CG PHE A 94 4.613 -0.094 -3.541 1.00 0.00 C ATOM 1425 CD1 PHE A 94 4.785 -0.351 -2.190 1.00 0.00 C ATOM 1426 CD2 PHE A 94 5.639 0.521 -4.239 1.00 0.00 C ATOM 1427 CE1 PHE A 94 5.958 0.001 -1.549 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.814 0.874 -3.602 1.00 0.00 C ATOM 1429 CZ PHE A 94 6.974 0.613 -2.256 1.00 0.00 C ATOM 0 H PHE A 94 4.561 -1.631 -6.295 1.00 0.00 H new ATOM 0 HA PHE A 94 3.340 -2.575 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.210 0.152 -5.117 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.496 -0.269 -3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 94 3.995 -0.831 -1.632 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.520 0.727 -5.292 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.080 -0.203 -0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.606 1.354 -4.157 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.892 0.887 -1.757 1.00 0.00 H new ATOM 1439 N LYS A 95 0.926 -2.493 -4.605 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.387 -2.785 -5.167 1.00 0.00 C ATOM 1441 C LYS A 95 -1.494 -2.190 -4.303 1.00 0.00 C ATOM 1442 O LYS A 95 -1.430 -2.243 -3.074 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.584 -4.297 -5.297 1.00 0.00 C ATOM 1444 CG LYS A 95 -0.019 -4.876 -6.583 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.453 -6.318 -6.784 1.00 0.00 C ATOM 1446 CE LYS A 95 -0.072 -7.185 -5.594 1.00 0.00 C ATOM 1447 NZ LYS A 95 0.160 -8.602 -5.992 1.00 0.00 N ATOM 0 H LYS A 95 0.960 -2.505 -3.586 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.440 -2.331 -6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.112 -4.791 -4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.649 -4.522 -5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.349 -4.274 -7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.069 -4.823 -6.560 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.532 -6.357 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.009 -6.716 -7.688 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.829 -6.786 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.863 -7.143 -4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.568 -9.207 -5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.111 -8.684 -7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 1.100 -8.905 -5.665 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.507 -1.627 -4.952 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.629 -1.025 -4.241 1.00 0.00 C ATOM 1463 C ILE A 96 -4.906 -1.832 -4.447 1.00 0.00 C ATOM 1464 O ILE A 96 -5.121 -2.411 -5.511 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.872 0.425 -4.699 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.627 1.278 -4.446 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -5.077 1.012 -3.979 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.470 2.422 -5.423 1.00 0.00 C ATOM 0 H ILE A 96 -2.574 -1.575 -5.968 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.369 -1.024 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.077 0.423 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.671 1.679 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.744 0.642 -4.499 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.236 2.037 -4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.961 0.416 -4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.898 1.004 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.567 2.983 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.394 2.027 -6.436 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.336 3.081 -5.354 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.751 -1.863 -3.422 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.009 -2.598 -3.491 1.00 0.00 C ATOM 1482 C GLN A 97 -8.049 -1.987 -2.557 1.00 0.00 C ATOM 1483 O GLN A 97 -7.730 -1.571 -1.444 1.00 0.00 O ATOM 1484 CB GLN A 97 -6.785 -4.068 -3.131 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.068 -4.881 -3.068 1.00 0.00 C ATOM 1486 CD GLN A 97 -7.896 -6.186 -2.315 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -7.495 -6.196 -1.151 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.198 -7.296 -2.978 1.00 0.00 N ATOM 0 H GLN A 97 -5.588 -1.388 -2.534 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.383 -2.534 -4.513 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.117 -4.516 -3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.281 -4.124 -2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.846 -4.288 -2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.409 -5.093 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.527 -7.241 -3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.101 -8.204 -2.523 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.294 -1.936 -3.019 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.381 -1.377 -2.225 1.00 0.00 C ATOM 1499 C ALA A 98 -11.211 -2.480 -1.577 1.00 0.00 C ATOM 1500 O ALA A 98 -11.231 -3.615 -2.053 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.263 -0.489 -3.090 1.00 0.00 C ATOM 0 H ALA A 98 -9.575 -2.275 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.944 -0.773 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.071 -0.078 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.667 0.326 -3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.684 -1.078 -3.905 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.894 -2.139 -0.490 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.724 -3.101 0.225 1.00 0.00 C ATOM 1509 C ARG A 99 -13.852 -2.396 0.973 1.00 0.00 C ATOM 1510 O ARG A 99 -13.701 -1.258 1.414 1.00 0.00 O ATOM 1511 CB ARG A 99 -11.874 -3.910 1.206 1.00 0.00 C ATOM 1512 CG ARG A 99 -12.638 -4.370 2.437 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.839 -5.383 3.243 1.00 0.00 C ATOM 1514 NE ARG A 99 -12.407 -5.597 4.571 1.00 0.00 N ATOM 1515 CZ ARG A 99 -11.851 -6.377 5.491 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -10.717 -7.013 5.228 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -12.428 -6.522 6.677 1.00 0.00 N ATOM 0 H ARG A 99 -11.889 -1.203 -0.085 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.165 -3.778 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -11.472 -4.782 0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.024 -3.305 1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.873 -3.509 3.063 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.587 -4.812 2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.808 -6.331 2.705 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.810 -5.038 3.340 1.00 0.00 H new ATOM 0 HE ARG A 99 -13.278 -5.121 4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.270 -6.904 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.292 -7.611 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.300 -6.034 6.883 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.000 -7.121 7.383 1.00 0.00 H new ATOM 1531 N ASN A 100 -14.982 -3.082 1.111 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.136 -2.522 1.804 1.00 0.00 C ATOM 1533 C ASN A 100 -16.640 -3.477 2.882 1.00 0.00 C ATOM 1534 O ASN A 100 -16.077 -4.553 3.085 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.259 -2.220 0.809 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.603 -3.418 -0.055 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -17.117 -4.525 0.178 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -18.444 -3.201 -1.059 1.00 0.00 N ATOM 0 H ASN A 100 -15.123 -4.026 0.752 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.825 -1.594 2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.148 -1.901 1.354 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -16.961 -1.388 0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.712 -3.969 -1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.822 -2.267 -1.215 1.00 0.00 H new ATOM 1545 N SER A 101 -17.705 -3.076 3.569 1.00 0.00 N ATOM 1546 CA SER A 101 -18.283 -3.895 4.629 1.00 0.00 C ATOM 1547 C SER A 101 -18.397 -5.351 4.189 1.00 0.00 C ATOM 1548 O SER A 101 -18.450 -6.260 5.017 1.00 0.00 O ATOM 1549 CB SER A 101 -19.661 -3.359 5.021 1.00 0.00 C ATOM 1550 OG SER A 101 -19.564 -2.061 5.579 1.00 0.00 O ATOM 0 H SER A 101 -18.185 -2.190 3.411 1.00 0.00 H new ATOM 0 HA SER A 101 -17.622 -3.846 5.494 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.308 -3.334 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.126 -4.033 5.740 1.00 0.00 H new ATOM 0 HG SER A 101 -20.458 -1.741 5.819 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.434 -5.566 2.878 1.00 0.00 N ATOM 1557 CA LYS A 102 -18.540 -6.911 2.325 1.00 0.00 C ATOM 1558 C LYS A 102 -17.168 -7.572 2.236 1.00 0.00 C ATOM 1559 O LYS A 102 -16.836 -8.444 3.038 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.186 -6.864 0.939 1.00 0.00 C ATOM 1561 CG LYS A 102 -20.703 -6.791 0.977 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.182 -5.541 1.695 1.00 0.00 C ATOM 1563 CE LYS A 102 -21.507 -5.826 3.154 1.00 0.00 C ATOM 1564 NZ LYS A 102 -22.892 -6.347 3.321 1.00 0.00 N ATOM 0 H LYS A 102 -18.392 -4.825 2.178 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.167 -7.503 2.992 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.802 -5.999 0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.887 -7.749 0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.094 -6.800 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.098 -7.674 1.479 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.414 -4.770 1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -22.067 -5.149 1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.796 -6.551 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.389 -4.913 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.075 -6.529 4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -23.572 -5.645 2.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.997 -7.232 2.785 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.375 -7.150 1.256 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.048 -7.712 1.082 1.00 0.00 C ATOM 1580 C GLY A 103 -14.156 -6.837 0.224 1.00 0.00 C ATOM 1581 O GLY A 103 -14.404 -5.640 0.078 1.00 0.00 O ATOM 0 H GLY A 103 -16.627 -6.429 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.585 -7.851 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.131 -8.698 0.626 1.00 0.00 H new ATOM 1585 N MET A 104 -13.113 -7.434 -0.344 1.00 0.00 N ATOM 1586 CA MET A 104 -12.181 -6.700 -1.191 1.00 0.00 C ATOM 1587 C MET A 104 -12.545 -6.857 -2.664 1.00 0.00 C ATOM 1588 O MET A 104 -13.440 -7.626 -3.013 1.00 0.00 O ATOM 1589 CB MET A 104 -10.750 -7.187 -0.953 1.00 0.00 C ATOM 1590 CG MET A 104 -10.321 -7.124 0.504 1.00 0.00 C ATOM 1591 SD MET A 104 -8.952 -8.237 0.874 1.00 0.00 S ATOM 1592 CE MET A 104 -9.833 -9.643 1.550 1.00 0.00 C ATOM 0 H MET A 104 -12.892 -8.424 -0.233 1.00 0.00 H new ATOM 0 HA MET A 104 -12.246 -5.644 -0.929 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.661 -8.215 -1.305 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.066 -6.585 -1.551 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.030 -6.103 0.749 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.170 -7.375 1.140 1.00 0.00 H new ATOM 0 HE1 MET A 104 -9.120 -10.420 1.828 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.393 -9.332 2.432 1.00 0.00 H new ATOM 0 HE3 MET A 104 -10.523 -10.034 0.802 1.00 0.00 H new ATOM 1602 N GLY A 105 -11.846 -6.123 -3.524 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.112 -6.196 -4.949 1.00 0.00 C ATOM 1604 C GLY A 105 -10.922 -6.710 -5.735 1.00 0.00 C ATOM 1605 O GLY A 105 -10.120 -7.503 -5.241 1.00 0.00 O ATOM 0 H GLY A 105 -11.100 -5.479 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -12.968 -6.848 -5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.386 -5.207 -5.316 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.796 -6.255 -6.991 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.699 -6.662 -7.874 1.00 0.00 C ATOM 1611 C PRO A 106 -8.356 -6.094 -7.429 1.00 0.00 C ATOM 1612 O PRO A 106 -8.290 -5.276 -6.512 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.102 -6.081 -9.231 1.00 0.00 C ATOM 1614 CG PRO A 106 -10.984 -4.927 -8.902 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.715 -5.309 -7.645 1.00 0.00 C ATOM 0 HA PRO A 106 -9.562 -7.743 -7.882 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.229 -5.762 -9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.626 -6.819 -9.838 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.399 -4.019 -8.753 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.683 -4.726 -9.714 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -11.913 -4.441 -7.016 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.678 -5.770 -7.864 1.00 0.00 H new ATOM 1623 N MET A 107 -7.286 -6.532 -8.085 1.00 0.00 N ATOM 1624 CA MET A 107 -5.944 -6.065 -7.758 1.00 0.00 C ATOM 1625 C MET A 107 -5.297 -5.384 -8.959 1.00 0.00 C ATOM 1626 O MET A 107 -5.312 -5.917 -10.069 1.00 0.00 O ATOM 1627 CB MET A 107 -5.075 -7.233 -7.289 1.00 0.00 C ATOM 1628 CG MET A 107 -5.195 -7.522 -5.802 1.00 0.00 C ATOM 1629 SD MET A 107 -4.805 -9.235 -5.393 1.00 0.00 S ATOM 1630 CE MET A 107 -5.750 -9.447 -3.887 1.00 0.00 C ATOM 0 H MET A 107 -7.323 -7.210 -8.846 1.00 0.00 H new ATOM 0 HA MET A 107 -6.026 -5.336 -6.952 1.00 0.00 H new ATOM 0 HB2 MET A 107 -5.351 -8.127 -7.848 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.033 -7.018 -7.526 1.00 0.00 H new ATOM 0 HG2 MET A 107 -4.526 -6.860 -5.252 1.00 0.00 H new ATOM 0 HG3 MET A 107 -6.209 -7.296 -5.473 1.00 0.00 H new ATOM 0 HE1 MET A 107 -5.556 -10.436 -3.472 1.00 0.00 H new ATOM 0 HE2 MET A 107 -5.457 -8.686 -3.164 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.813 -9.348 -4.108 1.00 0.00 H new ATOM 1640 N SER A 108 -4.730 -4.204 -8.731 1.00 0.00 N ATOM 1641 CA SER A 108 -4.082 -3.448 -9.796 1.00 0.00 C ATOM 1642 C SER A 108 -2.769 -4.108 -10.208 1.00 0.00 C ATOM 1643 O SER A 108 -2.269 -4.999 -9.523 1.00 0.00 O ATOM 1644 CB SER A 108 -3.823 -2.009 -9.345 1.00 0.00 C ATOM 1645 OG SER A 108 -2.906 -1.971 -8.265 1.00 0.00 O ATOM 0 H SER A 108 -4.706 -3.751 -7.818 1.00 0.00 H new ATOM 0 HA SER A 108 -4.750 -3.436 -10.658 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.431 -1.428 -10.180 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.762 -1.544 -9.046 1.00 0.00 H new ATOM 0 HG SER A 108 -2.756 -1.041 -7.996 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.218 -3.663 -11.333 1.00 0.00 N ATOM 1652 CA GLU A 109 -0.965 -4.210 -11.838 1.00 0.00 C ATOM 1653 C GLU A 109 0.197 -3.847 -10.917 1.00 0.00 C ATOM 1654 O GLU A 109 0.267 -2.734 -10.398 1.00 0.00 O ATOM 1655 CB GLU A 109 -0.689 -3.695 -13.252 1.00 0.00 C ATOM 1656 CG GLU A 109 -1.452 -4.443 -14.332 1.00 0.00 C ATOM 1657 CD GLU A 109 -0.987 -5.878 -14.486 1.00 0.00 C ATOM 1658 OE1 GLU A 109 0.237 -6.095 -14.607 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -1.847 -6.784 -14.487 1.00 0.00 O ATOM 0 H GLU A 109 -2.620 -2.925 -11.912 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.059 -5.296 -11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.949 -2.638 -13.302 1.00 0.00 H new ATOM 0 HB3 GLU A 109 0.379 -3.771 -13.455 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.516 -4.433 -14.094 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.334 -3.922 -15.282 1.00 0.00 H new ATOM 1666 N ALA A 110 1.107 -4.796 -10.720 1.00 0.00 N ATOM 1667 CA ALA A 110 2.266 -4.577 -9.864 1.00 0.00 C ATOM 1668 C ALA A 110 3.019 -3.315 -10.272 1.00 0.00 C ATOM 1669 O ALA A 110 3.674 -3.281 -11.314 1.00 0.00 O ATOM 1670 CB ALA A 110 3.191 -5.784 -9.908 1.00 0.00 C ATOM 0 H ALA A 110 1.063 -5.724 -11.142 1.00 0.00 H new ATOM 0 HA ALA A 110 1.912 -4.443 -8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.052 -5.606 -9.264 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.654 -6.667 -9.560 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.530 -5.945 -10.931 1.00 0.00 H new ATOM 1676 N VAL A 111 2.922 -2.279 -9.445 1.00 0.00 N ATOM 1677 CA VAL A 111 3.594 -1.015 -9.720 1.00 0.00 C ATOM 1678 C VAL A 111 5.039 -1.045 -9.235 1.00 0.00 C ATOM 1679 O VAL A 111 5.302 -0.979 -8.035 1.00 0.00 O ATOM 1680 CB VAL A 111 2.864 0.166 -9.053 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.597 1.470 -9.327 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.424 0.242 -9.535 1.00 0.00 C ATOM 0 H VAL A 111 2.384 -2.290 -8.578 1.00 0.00 H new ATOM 0 HA VAL A 111 3.579 -0.877 -10.801 1.00 0.00 H new ATOM 0 HB VAL A 111 2.854 0.003 -7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.067 2.293 -8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.609 1.409 -8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.641 1.644 -10.402 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.923 1.082 -9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.409 0.382 -10.616 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.906 -0.683 -9.281 1.00 0.00 H new ATOM 1692 N GLN A 112 5.972 -1.144 -10.177 1.00 0.00 N ATOM 1693 CA GLN A 112 7.391 -1.182 -9.845 1.00 0.00 C ATOM 1694 C GLN A 112 7.929 0.222 -9.594 1.00 0.00 C ATOM 1695 O GLN A 112 7.930 1.067 -10.489 1.00 0.00 O ATOM 1696 CB GLN A 112 8.182 -1.850 -10.971 1.00 0.00 C ATOM 1697 CG GLN A 112 9.687 -1.818 -10.760 1.00 0.00 C ATOM 1698 CD GLN A 112 10.446 -2.528 -11.863 1.00 0.00 C ATOM 1699 OE1 GLN A 112 10.264 -2.236 -13.046 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.305 -3.466 -11.483 1.00 0.00 N ATOM 0 H GLN A 112 5.771 -1.199 -11.175 1.00 0.00 H new ATOM 0 HA GLN A 112 7.509 -1.765 -8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.859 -2.887 -11.065 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.945 -1.355 -11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 112 10.020 -0.782 -10.704 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.926 -2.282 -9.803 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.425 -3.676 -10.492 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.845 -3.976 -12.182 1.00 0.00 H new ATOM 1709 N PHE A 113 8.386 0.465 -8.369 1.00 0.00 N ATOM 1710 CA PHE A 113 8.927 1.768 -7.999 1.00 0.00 C ATOM 1711 C PHE A 113 10.292 1.622 -7.334 1.00 0.00 C ATOM 1712 O PHE A 113 10.477 0.784 -6.451 1.00 0.00 O ATOM 1713 CB PHE A 113 7.963 2.494 -7.059 1.00 0.00 C ATOM 1714 CG PHE A 113 8.500 3.798 -6.541 1.00 0.00 C ATOM 1715 CD1 PHE A 113 8.456 4.941 -7.323 1.00 0.00 C ATOM 1716 CD2 PHE A 113 9.048 3.881 -5.271 1.00 0.00 C ATOM 1717 CE1 PHE A 113 8.950 6.141 -6.850 1.00 0.00 C ATOM 1718 CE2 PHE A 113 9.544 5.079 -4.792 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.493 6.211 -5.582 1.00 0.00 C ATOM 0 H PHE A 113 8.392 -0.223 -7.616 1.00 0.00 H new ATOM 0 HA PHE A 113 9.048 2.356 -8.909 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.026 2.679 -7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.732 1.844 -6.215 1.00 0.00 H new ATOM 0 HD1 PHE A 113 8.030 4.893 -8.314 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.088 3.000 -4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 113 8.912 7.024 -7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 113 9.971 5.130 -3.801 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.877 7.149 -5.209 1.00 0.00 H new ATOM 1729 N ARG A 114 11.244 2.442 -7.765 1.00 0.00 N ATOM 1730 CA ARG A 114 12.593 2.404 -7.213 1.00 0.00 C ATOM 1731 C ARG A 114 12.692 3.265 -5.958 1.00 0.00 C ATOM 1732 O ARG A 114 12.147 4.368 -5.903 1.00 0.00 O ATOM 1733 CB ARG A 114 13.607 2.882 -8.254 1.00 0.00 C ATOM 1734 CG ARG A 114 14.986 2.264 -8.091 1.00 0.00 C ATOM 1735 CD ARG A 114 15.830 2.447 -9.342 1.00 0.00 C ATOM 1736 NE ARG A 114 16.336 3.812 -9.465 1.00 0.00 N ATOM 1737 CZ ARG A 114 17.005 4.255 -10.524 1.00 0.00 C ATOM 1738 NH1 ARG A 114 17.247 3.445 -11.546 1.00 0.00 N ATOM 1739 NH2 ARG A 114 17.433 5.510 -10.563 1.00 0.00 N ATOM 0 H ARG A 114 11.107 3.141 -8.495 1.00 0.00 H new ATOM 0 HA ARG A 114 12.819 1.372 -6.943 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.230 2.649 -9.250 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.695 3.967 -8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.492 2.720 -7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.886 1.201 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 114 16.668 1.750 -9.319 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.234 2.200 -10.221 1.00 0.00 H new ATOM 0 HE ARG A 114 16.166 4.460 -8.696 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.919 2.479 -11.520 1.00 0.00 H new ATOM 0 HH12 ARG A 114 17.761 3.788 -12.358 1.00 0.00 H new ATOM 0 HH21 ARG A 114 17.249 6.136 -9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 114 17.946 5.849 -11.377 1.00 0.00 H new ATOM 1753 N THR A 115 13.390 2.754 -4.949 1.00 0.00 N ATOM 1754 CA THR A 115 13.559 3.475 -3.693 1.00 0.00 C ATOM 1755 C THR A 115 14.668 4.516 -3.802 1.00 0.00 C ATOM 1756 O THR A 115 15.642 4.346 -4.535 1.00 0.00 O ATOM 1757 CB THR A 115 13.884 2.515 -2.533 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.861 1.555 -2.951 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.630 1.796 -2.058 1.00 0.00 C ATOM 0 H THR A 115 13.848 1.843 -4.977 1.00 0.00 H new ATOM 0 HA THR A 115 12.613 3.975 -3.486 1.00 0.00 H new ATOM 0 HB THR A 115 14.283 3.102 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.759 0.734 -2.425 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.884 1.124 -1.239 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.899 2.528 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.207 1.221 -2.881 1.00 0.00 H new ATOM 1767 N PRO A 116 14.519 5.620 -3.055 1.00 0.00 N ATOM 1768 CA PRO A 116 15.499 6.710 -3.049 1.00 0.00 C ATOM 1769 C PRO A 116 16.807 6.310 -2.373 1.00 0.00 C ATOM 1770 O PRO A 116 17.078 5.126 -2.173 1.00 0.00 O ATOM 1771 CB PRO A 116 14.800 7.812 -2.250 1.00 0.00 C ATOM 1772 CG PRO A 116 13.834 7.090 -1.374 1.00 0.00 C ATOM 1773 CD PRO A 116 13.383 5.889 -2.157 1.00 0.00 C ATOM 0 HA PRO A 116 15.781 7.010 -4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.514 8.388 -1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.289 8.515 -2.908 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.305 6.791 -0.437 1.00 0.00 H new ATOM 0 HG3 PRO A 116 12.989 7.728 -1.116 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.176 5.040 -1.506 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.469 6.093 -2.715 1.00 0.00 H new ATOM 1781 N LYS A 117 17.615 7.305 -2.023 1.00 0.00 N ATOM 1782 CA LYS A 117 18.894 7.058 -1.368 1.00 0.00 C ATOM 1783 C LYS A 117 19.122 8.048 -0.230 1.00 0.00 C ATOM 1784 O LYS A 117 18.615 9.169 -0.259 1.00 0.00 O ATOM 1785 CB LYS A 117 20.036 7.156 -2.381 1.00 0.00 C ATOM 1786 CG LYS A 117 19.965 6.112 -3.481 1.00 0.00 C ATOM 1787 CD LYS A 117 20.779 4.877 -3.131 1.00 0.00 C ATOM 1788 CE LYS A 117 20.185 4.136 -1.943 1.00 0.00 C ATOM 1789 NZ LYS A 117 20.805 2.795 -1.759 1.00 0.00 N ATOM 0 H LYS A 117 17.407 8.291 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 117 18.873 6.051 -0.951 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.026 8.148 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.986 7.054 -1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.926 5.829 -3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.333 6.539 -4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.820 4.211 -3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.804 5.168 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.325 4.728 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.110 4.023 -2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.060 2.071 -1.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.439 2.593 -2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 21.350 2.783 -0.873 1.00 0.00 H new ATOM 1803 N ALA A 118 19.890 7.627 0.769 1.00 0.00 N ATOM 1804 CA ALA A 118 20.189 8.479 1.914 1.00 0.00 C ATOM 1805 C ALA A 118 21.094 9.639 1.514 1.00 0.00 C ATOM 1806 O ALA A 118 20.899 10.771 1.955 1.00 0.00 O ATOM 1807 CB ALA A 118 20.833 7.662 3.025 1.00 0.00 C ATOM 0 H ALA A 118 20.317 6.701 0.809 1.00 0.00 H new ATOM 0 HA ALA A 118 19.251 8.895 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.051 8.310 3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.151 6.872 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 118 21.759 7.218 2.660 1.00 0.00 H new