USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 598 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 72 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -111:sc= 1.26 (180deg=0) USER MOD Set 1.3: A 79 HIS : no HE2:sc= -1.16! K(o=-0.57!,f=-5.8) USER MOD Set 1.4: A 83 SER OG : rot -163:sc= -0.667 USER MOD Set 2.1: A 39 SER OG : rot 88:sc= 0.0249 USER MOD Set 2.2: A 69 HIS : no HE2:sc= -4.7! C(o=-4.7!,f=-5.6!) USER MOD Set 3.1: A 33 MET CE :methyl 157:sc= -0.482 (180deg=-1.48) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -3.7 K(o=-4.2,f=-5.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -130:sc= -1.05 USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0928 F(o=-1.4!,f=-0.093) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -68:sc= 0.137 USER MOD Single : A 36 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-2.5) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.72! C(o=-3.1!,f=-1.7!) USER MOD Single : A 56 SER OG : rot 53:sc= 1.25 USER MOD Single : A 58 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 64 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.4) USER MOD Single : A 66 MET CE :methyl 154:sc= -0.153 (180deg=-0.522) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.952 K(o=-0.95,f=-3.3!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.596 -5.778 -5.403 1.00 0.00 N ATOM 142 CA ALA A 13 -2.208 -6.063 -5.060 1.00 0.00 C ATOM 143 C ALA A 13 -1.854 -7.514 -5.365 1.00 0.00 C ATOM 144 O ALA A 13 -2.735 -8.355 -5.547 1.00 0.00 O ATOM 145 CB ALA A 13 -1.953 -5.752 -3.592 1.00 0.00 C ATOM 0 HA ALA A 13 -1.570 -5.425 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.913 -5.969 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.157 -4.698 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.606 -6.365 -2.971 1.00 0.00 H new ATOM 151 N THR A 14 -0.557 -7.803 -5.420 1.00 0.00 N ATOM 152 CA THR A 14 -0.086 -9.152 -5.705 1.00 0.00 C ATOM 153 C THR A 14 0.720 -9.711 -4.538 1.00 0.00 C ATOM 154 O THR A 14 1.360 -8.964 -3.798 1.00 0.00 O ATOM 155 CB THR A 14 0.782 -9.188 -6.977 1.00 0.00 C ATOM 156 OG1 THR A 14 0.116 -8.502 -8.044 1.00 0.00 O ATOM 157 CG2 THR A 14 1.074 -10.621 -7.394 1.00 0.00 C ATOM 0 H THR A 14 0.186 -7.120 -5.271 1.00 0.00 H new ATOM 0 HA THR A 14 -0.971 -9.769 -5.861 1.00 0.00 H new ATOM 0 HB THR A 14 1.727 -8.691 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.675 -8.528 -8.849 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.688 -10.620 -8.294 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.607 -11.132 -6.592 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.137 -11.140 -7.595 1.00 0.00 H new ATOM 165 N VAL A 15 0.686 -11.031 -4.379 1.00 0.00 N ATOM 166 CA VAL A 15 1.416 -11.690 -3.303 1.00 0.00 C ATOM 167 C VAL A 15 2.874 -11.916 -3.686 1.00 0.00 C ATOM 168 O VAL A 15 3.174 -12.378 -4.786 1.00 0.00 O ATOM 169 CB VAL A 15 0.776 -13.043 -2.938 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.708 -13.948 -4.159 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.550 -13.711 -1.812 1.00 0.00 C ATOM 0 H VAL A 15 0.161 -11.664 -4.982 1.00 0.00 H new ATOM 0 HA VAL A 15 1.370 -11.029 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.242 -12.863 -2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.253 -14.899 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.107 -13.470 -4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.715 -14.124 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.084 -14.666 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.579 -13.880 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.542 -13.067 -0.933 1.00 0.00 H new ATOM 181 N GLY A 16 3.779 -11.588 -2.768 1.00 0.00 N ATOM 182 CA GLY A 16 5.196 -11.763 -3.028 1.00 0.00 C ATOM 183 C GLY A 16 5.782 -10.624 -3.839 1.00 0.00 C ATOM 184 O GLY A 16 6.888 -10.161 -3.562 1.00 0.00 O ATOM 0 H GLY A 16 3.556 -11.204 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.729 -11.842 -2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.351 -12.701 -3.560 1.00 0.00 H new ATOM 188 N SER A 17 5.039 -10.171 -4.844 1.00 0.00 N ATOM 189 CA SER A 17 5.494 -9.083 -5.701 1.00 0.00 C ATOM 190 C SER A 17 5.418 -7.747 -4.968 1.00 0.00 C ATOM 191 O SER A 17 4.463 -7.480 -4.238 1.00 0.00 O ATOM 192 CB SER A 17 4.653 -9.025 -6.977 1.00 0.00 C ATOM 193 OG SER A 17 5.183 -9.880 -7.976 1.00 0.00 O ATOM 0 H SER A 17 4.119 -10.541 -5.084 1.00 0.00 H new ATOM 0 HA SER A 17 6.534 -9.274 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.626 -9.315 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.621 -8.001 -7.349 1.00 0.00 H new ATOM 0 HG SER A 17 4.627 -9.826 -8.781 1.00 0.00 H new ATOM 199 N ILE A 18 6.431 -6.911 -5.169 1.00 0.00 N ATOM 200 CA ILE A 18 6.480 -5.602 -4.528 1.00 0.00 C ATOM 201 C ILE A 18 5.203 -4.812 -4.796 1.00 0.00 C ATOM 202 O ILE A 18 4.827 -4.592 -5.948 1.00 0.00 O ATOM 203 CB ILE A 18 7.689 -4.782 -5.014 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.982 -5.581 -4.829 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.767 -3.459 -4.268 1.00 0.00 C ATOM 206 CD1 ILE A 18 9.263 -5.950 -3.390 1.00 0.00 C ATOM 0 H ILE A 18 7.229 -7.116 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 18 6.578 -5.778 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 18 7.562 -4.571 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.925 -6.492 -5.425 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.818 -4.999 -5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.627 -2.891 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.856 -2.887 -4.445 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.874 -3.649 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.194 -6.514 -3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.352 -5.043 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.446 -6.559 -3.004 1.00 0.00 H new ATOM 218 N CYS A 19 4.543 -4.386 -3.726 1.00 0.00 N ATOM 219 CA CYS A 19 3.308 -3.618 -3.844 1.00 0.00 C ATOM 220 C CYS A 19 3.578 -2.126 -3.680 1.00 0.00 C ATOM 221 O CYS A 19 3.989 -1.673 -2.611 1.00 0.00 O ATOM 222 CB CYS A 19 2.292 -4.083 -2.801 1.00 0.00 C ATOM 223 SG CYS A 19 0.575 -3.702 -3.222 1.00 0.00 S ATOM 0 H CYS A 19 4.842 -4.559 -2.766 1.00 0.00 H new ATOM 0 HA CYS A 19 2.898 -3.787 -4.840 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.392 -5.160 -2.667 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.532 -3.620 -1.844 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.004 -3.131 -2.208 1.00 0.00 H new ATOM 229 N ASP A 20 3.346 -1.367 -4.745 1.00 0.00 N ATOM 230 CA ASP A 20 3.565 0.075 -4.720 1.00 0.00 C ATOM 231 C ASP A 20 2.245 0.821 -4.554 1.00 0.00 C ATOM 232 O ASP A 20 1.264 0.530 -5.239 1.00 0.00 O ATOM 233 CB ASP A 20 4.264 0.529 -6.002 1.00 0.00 C ATOM 234 CG ASP A 20 5.734 0.156 -6.023 1.00 0.00 C ATOM 235 OD1 ASP A 20 6.323 0.003 -4.932 1.00 0.00 O ATOM 236 OD2 ASP A 20 6.294 0.017 -7.130 1.00 0.00 O ATOM 0 H ASP A 20 3.006 -1.726 -5.637 1.00 0.00 H new ATOM 0 HA ASP A 20 4.203 0.306 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.766 0.081 -6.862 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.165 1.610 -6.103 1.00 0.00 H new ATOM 241 N LEU A 21 2.228 1.785 -3.639 1.00 0.00 N ATOM 242 CA LEU A 21 1.028 2.574 -3.382 1.00 0.00 C ATOM 243 C LEU A 21 1.130 3.949 -4.033 1.00 0.00 C ATOM 244 O LEU A 21 1.945 4.778 -3.631 1.00 0.00 O ATOM 245 CB LEU A 21 0.807 2.726 -1.876 1.00 0.00 C ATOM 246 CG LEU A 21 -0.633 2.985 -1.431 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.496 1.757 -1.674 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.674 3.387 0.036 1.00 0.00 C ATOM 0 H LEU A 21 3.031 2.039 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 21 0.178 2.049 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.161 1.820 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.430 3.546 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.034 3.808 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.517 1.960 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.493 1.515 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.098 0.915 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.707 3.567 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.254 2.586 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.090 4.296 0.181 1.00 0.00 H new ATOM 260 N ASN A 22 0.296 4.184 -5.041 1.00 0.00 N ATOM 261 CA ASN A 22 0.292 5.460 -5.748 1.00 0.00 C ATOM 262 C ASN A 22 -0.478 6.516 -4.959 1.00 0.00 C ATOM 263 O ASN A 22 -1.710 6.524 -4.950 1.00 0.00 O ATOM 264 CB ASN A 22 -0.326 5.295 -7.138 1.00 0.00 C ATOM 265 CG ASN A 22 -1.377 4.203 -7.177 1.00 0.00 C ATOM 266 OD1 ASN A 22 -0.932 2.955 -7.273 1.00 0.00 O flip ATOM 267 ND2 ASN A 22 -2.576 4.477 -7.122 1.00 0.00 N flip ATOM 0 H ASN A 22 -0.385 3.508 -5.386 1.00 0.00 H new ATOM 0 HA ASN A 22 1.325 5.792 -5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.775 6.239 -7.447 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.460 5.065 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.874 5.450 -7.049 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.271 3.731 -7.150 1.00 0.00 H new ATOM 274 N LEU A 23 0.256 7.405 -4.299 1.00 0.00 N ATOM 275 CA LEU A 23 -0.356 8.466 -3.508 1.00 0.00 C ATOM 276 C LEU A 23 0.108 9.838 -3.985 1.00 0.00 C ATOM 277 O LEU A 23 1.306 10.084 -4.132 1.00 0.00 O ATOM 278 CB LEU A 23 -0.017 8.286 -2.027 1.00 0.00 C ATOM 279 CG LEU A 23 -0.698 7.114 -1.320 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.020 6.827 0.011 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.178 7.402 -1.115 1.00 0.00 C ATOM 0 H LEU A 23 1.276 7.412 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.437 8.404 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.062 8.163 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.279 9.204 -1.501 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.604 6.230 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.518 5.990 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.027 6.576 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.082 7.709 0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.647 6.557 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.293 8.298 -0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.656 7.557 -2.082 1.00 0.00 H new ATOM 293 N LYS A 24 -0.846 10.731 -4.223 1.00 0.00 N ATOM 294 CA LYS A 24 -0.537 12.080 -4.680 1.00 0.00 C ATOM 295 C LYS A 24 -1.198 13.123 -3.785 1.00 0.00 C ATOM 296 O LYS A 24 -2.356 13.486 -3.990 1.00 0.00 O ATOM 297 CB LYS A 24 -0.997 12.269 -6.128 1.00 0.00 C ATOM 298 CG LYS A 24 -2.431 11.830 -6.372 1.00 0.00 C ATOM 299 CD LYS A 24 -2.759 11.799 -7.855 1.00 0.00 C ATOM 300 CE LYS A 24 -2.148 10.584 -8.535 1.00 0.00 C ATOM 301 NZ LYS A 24 -2.709 10.370 -9.898 1.00 0.00 N ATOM 0 H LYS A 24 -1.842 10.544 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 24 0.543 12.215 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.897 13.320 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.336 11.706 -6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.588 10.840 -5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.113 12.510 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.841 11.787 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.389 12.708 -8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.068 10.711 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.327 9.698 -7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.267 9.532 -10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.736 10.223 -9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.516 11.204 -10.488 1.00 0.00 H new ATOM 315 N ILE A 25 -0.454 13.602 -2.794 1.00 0.00 N ATOM 316 CA ILE A 25 -0.968 14.605 -1.869 1.00 0.00 C ATOM 317 C ILE A 25 0.013 15.762 -1.712 1.00 0.00 C ATOM 318 O ILE A 25 0.934 15.720 -0.896 1.00 0.00 O ATOM 319 CB ILE A 25 -1.256 13.999 -0.483 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.857 12.599 -0.630 1.00 0.00 C ATOM 321 CG2 ILE A 25 -2.192 14.902 0.306 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.836 11.795 0.651 1.00 0.00 C ATOM 0 H ILE A 25 0.507 13.312 -2.611 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.900 14.977 -2.294 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.317 13.916 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.887 12.689 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.308 12.056 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.386 14.460 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.730 15.881 0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.132 15.013 -0.235 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.277 10.814 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.806 11.674 0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.409 12.317 1.417 1.00 0.00 H new ATOM 334 N PRO A 26 -0.188 16.821 -2.509 1.00 0.00 N ATOM 335 CA PRO A 26 0.668 18.011 -2.476 1.00 0.00 C ATOM 336 C PRO A 26 0.488 18.818 -1.195 1.00 0.00 C ATOM 337 O PRO A 26 1.328 19.649 -0.851 1.00 0.00 O ATOM 338 CB PRO A 26 0.198 18.820 -3.688 1.00 0.00 C ATOM 339 CG PRO A 26 -1.209 18.386 -3.910 1.00 0.00 C ATOM 340 CD PRO A 26 -1.266 16.939 -3.505 1.00 0.00 C ATOM 0 HA PRO A 26 1.727 17.753 -2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.256 19.891 -3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.817 18.619 -4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.900 18.985 -3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.495 18.510 -4.954 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.236 16.678 -3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.102 16.277 -4.355 1.00 0.00 H new ATOM 348 N GLU A 27 -0.612 18.567 -0.492 1.00 0.00 N ATOM 349 CA GLU A 27 -0.901 19.272 0.752 1.00 0.00 C ATOM 350 C GLU A 27 0.029 18.808 1.869 1.00 0.00 C ATOM 351 O GLU A 27 0.025 19.367 2.966 1.00 0.00 O ATOM 352 CB GLU A 27 -2.359 19.051 1.162 1.00 0.00 C ATOM 353 CG GLU A 27 -3.353 19.828 0.316 1.00 0.00 C ATOM 354 CD GLU A 27 -4.609 20.196 1.083 1.00 0.00 C ATOM 355 OE1 GLU A 27 -5.428 19.293 1.350 1.00 0.00 O ATOM 356 OE2 GLU A 27 -4.771 21.389 1.417 1.00 0.00 O ATOM 0 H GLU A 27 -1.317 17.881 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.735 20.336 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.590 17.988 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.481 19.338 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.878 20.737 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.625 19.233 -0.556 1.00 0.00 H new ATOM 363 N ILE A 28 0.824 17.783 1.581 1.00 0.00 N ATOM 364 CA ILE A 28 1.760 17.244 2.560 1.00 0.00 C ATOM 365 C ILE A 28 3.094 16.893 1.910 1.00 0.00 C ATOM 366 O ILE A 28 3.170 16.683 0.700 1.00 0.00 O ATOM 367 CB ILE A 28 1.192 15.990 3.251 1.00 0.00 C ATOM 368 CG1 ILE A 28 -0.092 16.336 4.008 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.225 15.392 4.194 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.990 15.143 4.248 1.00 0.00 C ATOM 0 H ILE A 28 0.839 17.309 0.678 1.00 0.00 H new ATOM 0 HA ILE A 28 1.917 18.021 3.308 1.00 0.00 H new ATOM 0 HB ILE A 28 0.953 15.249 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.170 16.782 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.644 17.089 3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.809 14.507 4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.115 15.114 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.492 16.126 4.954 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.881 15.461 4.789 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.282 14.709 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.455 14.398 4.836 1.00 0.00 H new ATOM 382 N ASN A 29 4.144 16.830 2.723 1.00 0.00 N ATOM 383 CA ASN A 29 5.476 16.502 2.228 1.00 0.00 C ATOM 384 C ASN A 29 5.880 15.092 2.645 1.00 0.00 C ATOM 385 O ASN A 29 5.434 14.587 3.675 1.00 0.00 O ATOM 386 CB ASN A 29 6.499 17.513 2.748 1.00 0.00 C ATOM 387 CG ASN A 29 6.549 18.773 1.905 1.00 0.00 C ATOM 388 OD1 ASN A 29 5.674 19.634 2.003 1.00 0.00 O ATOM 389 ND2 ASN A 29 7.576 18.886 1.071 1.00 0.00 N ATOM 0 H ASN A 29 4.098 17.002 3.727 1.00 0.00 H new ATOM 0 HA ASN A 29 5.453 16.546 1.139 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.254 17.777 3.777 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.486 17.051 2.764 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.663 19.711 0.478 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.278 18.147 1.023 1.00 0.00 H new ATOM 396 N SER A 30 6.727 14.461 1.838 1.00 0.00 N ATOM 397 CA SER A 30 7.189 13.108 2.121 1.00 0.00 C ATOM 398 C SER A 30 8.112 13.092 3.336 1.00 0.00 C ATOM 399 O SER A 30 8.421 12.032 3.881 1.00 0.00 O ATOM 400 CB SER A 30 7.918 12.530 0.906 1.00 0.00 C ATOM 401 OG SER A 30 9.059 13.304 0.580 1.00 0.00 O ATOM 0 H SER A 30 7.107 14.866 0.982 1.00 0.00 H new ATOM 0 HA SER A 30 6.317 12.492 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.219 11.503 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.240 12.498 0.053 1.00 0.00 H new ATOM 0 HG SER A 30 9.508 12.913 -0.198 1.00 0.00 H new ATOM 407 N SER A 31 8.548 14.275 3.756 1.00 0.00 N ATOM 408 CA SER A 31 9.439 14.399 4.904 1.00 0.00 C ATOM 409 C SER A 31 8.644 14.446 6.205 1.00 0.00 C ATOM 410 O SER A 31 9.212 14.388 7.295 1.00 0.00 O ATOM 411 CB SER A 31 10.301 15.656 4.774 1.00 0.00 C ATOM 412 OG SER A 31 11.127 15.592 3.625 1.00 0.00 O ATOM 0 H SER A 31 8.299 15.162 3.318 1.00 0.00 H new ATOM 0 HA SER A 31 10.088 13.523 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.660 16.536 4.716 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.919 15.770 5.664 1.00 0.00 H new ATOM 0 HG SER A 31 11.666 16.408 3.564 1.00 0.00 H new ATOM 418 N ASP A 32 7.325 14.551 6.082 1.00 0.00 N ATOM 419 CA ASP A 32 6.450 14.604 7.247 1.00 0.00 C ATOM 420 C ASP A 32 5.345 13.558 7.145 1.00 0.00 C ATOM 421 O ASP A 32 4.296 13.685 7.777 1.00 0.00 O ATOM 422 CB ASP A 32 5.838 15.999 7.388 1.00 0.00 C ATOM 423 CG ASP A 32 6.748 16.959 8.128 1.00 0.00 C ATOM 424 OD1 ASP A 32 6.958 16.760 9.344 1.00 0.00 O ATOM 425 OD2 ASP A 32 7.251 17.908 7.492 1.00 0.00 O ATOM 0 H ASP A 32 6.839 14.601 5.187 1.00 0.00 H new ATOM 0 HA ASP A 32 7.049 14.387 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.621 16.399 6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.888 15.924 7.916 1.00 0.00 H new ATOM 430 N MET A 33 5.587 12.524 6.346 1.00 0.00 N ATOM 431 CA MET A 33 4.612 11.456 6.161 1.00 0.00 C ATOM 432 C MET A 33 5.050 10.189 6.890 1.00 0.00 C ATOM 433 O MET A 33 6.213 10.050 7.269 1.00 0.00 O ATOM 434 CB MET A 33 4.421 11.162 4.672 1.00 0.00 C ATOM 435 CG MET A 33 3.407 12.072 3.998 1.00 0.00 C ATOM 436 SD MET A 33 3.191 11.695 2.248 1.00 0.00 S ATOM 437 CE MET A 33 3.019 9.913 2.304 1.00 0.00 C ATOM 0 H MET A 33 6.450 12.403 5.816 1.00 0.00 H new ATOM 0 HA MET A 33 3.663 11.787 6.582 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.380 11.262 4.164 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.103 10.126 4.552 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.447 11.980 4.507 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.727 13.108 4.106 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.489 9.571 1.415 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.007 9.453 2.337 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.457 9.630 3.194 1.00 0.00 H new ATOM 447 N SER A 34 4.111 9.268 7.082 1.00 0.00 N ATOM 448 CA SER A 34 4.399 8.015 7.769 1.00 0.00 C ATOM 449 C SER A 34 3.494 6.896 7.261 1.00 0.00 C ATOM 450 O SER A 34 2.294 7.093 7.070 1.00 0.00 O ATOM 451 CB SER A 34 4.222 8.183 9.279 1.00 0.00 C ATOM 452 OG SER A 34 2.852 8.140 9.640 1.00 0.00 O ATOM 0 H SER A 34 3.144 9.366 6.771 1.00 0.00 H new ATOM 0 HA SER A 34 5.434 7.745 7.560 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.764 7.395 9.802 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.655 9.132 9.596 1.00 0.00 H new ATOM 0 HG SER A 34 2.398 8.937 9.295 1.00 0.00 H new ATOM 458 N ALA A 35 4.079 5.722 7.046 1.00 0.00 N ATOM 459 CA ALA A 35 3.326 4.572 6.562 1.00 0.00 C ATOM 460 C ALA A 35 3.718 3.304 7.313 1.00 0.00 C ATOM 461 O ALA A 35 4.874 3.134 7.703 1.00 0.00 O ATOM 462 CB ALA A 35 3.542 4.390 5.067 1.00 0.00 C ATOM 0 H ALA A 35 5.071 5.543 7.199 1.00 0.00 H new ATOM 0 HA ALA A 35 2.268 4.759 6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.973 3.527 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.206 5.283 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.602 4.229 4.869 1.00 0.00 H new ATOM 468 N HIS A 36 2.749 2.417 7.515 1.00 0.00 N ATOM 469 CA HIS A 36 2.994 1.164 8.220 1.00 0.00 C ATOM 470 C HIS A 36 2.036 0.076 7.744 1.00 0.00 C ATOM 471 O HIS A 36 0.817 0.239 7.801 1.00 0.00 O ATOM 472 CB HIS A 36 2.845 1.366 9.728 1.00 0.00 C ATOM 473 CG HIS A 36 3.812 2.357 10.298 1.00 0.00 C ATOM 474 ND1 HIS A 36 3.563 3.713 10.341 1.00 0.00 N ATOM 475 CD2 HIS A 36 5.035 2.184 10.852 1.00 0.00 C ATOM 476 CE1 HIS A 36 4.591 4.330 10.895 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.498 3.425 11.215 1.00 0.00 N ATOM 0 H HIS A 36 1.787 2.543 7.200 1.00 0.00 H new ATOM 0 HA HIS A 36 4.014 0.846 8.002 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.829 1.697 9.943 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.981 0.408 10.230 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.551 1.244 10.984 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.676 5.394 11.059 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.396 3.616 11.659 1.00 0.00 H new ATOM 486 N VAL A 37 2.596 -1.034 7.273 1.00 0.00 N ATOM 487 CA VAL A 37 1.792 -2.149 6.787 1.00 0.00 C ATOM 488 C VAL A 37 1.366 -3.060 7.933 1.00 0.00 C ATOM 489 O VAL A 37 2.181 -3.791 8.496 1.00 0.00 O ATOM 490 CB VAL A 37 2.560 -2.981 5.742 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.793 -4.250 5.401 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.822 -2.155 4.492 1.00 0.00 C ATOM 0 H VAL A 37 3.603 -1.185 7.218 1.00 0.00 H new ATOM 0 HA VAL A 37 0.906 -1.720 6.319 1.00 0.00 H new ATOM 0 HB VAL A 37 3.521 -3.269 6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.351 -4.825 4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.662 -4.849 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.816 -3.987 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.365 -2.758 3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.873 -1.835 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.416 -1.279 4.753 1.00 0.00 H new ATOM 502 N THR A 38 0.082 -3.011 8.274 1.00 0.00 N ATOM 503 CA THR A 38 -0.454 -3.832 9.353 1.00 0.00 C ATOM 504 C THR A 38 -0.976 -5.163 8.825 1.00 0.00 C ATOM 505 O THR A 38 -1.704 -5.205 7.833 1.00 0.00 O ATOM 506 CB THR A 38 -1.590 -3.107 10.099 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.142 -1.822 10.544 1.00 0.00 O ATOM 508 CG2 THR A 38 -2.064 -3.925 11.290 1.00 0.00 C ATOM 0 H THR A 38 -0.606 -2.411 7.819 1.00 0.00 H new ATOM 0 HA THR A 38 0.366 -4.017 10.047 1.00 0.00 H new ATOM 0 HB THR A 38 -2.425 -2.981 9.410 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.871 -1.367 11.016 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.866 -3.393 11.801 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.432 -4.891 10.945 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.234 -4.078 11.980 1.00 0.00 H new ATOM 516 N SER A 39 -0.600 -6.248 9.494 1.00 0.00 N ATOM 517 CA SER A 39 -1.028 -7.582 9.089 1.00 0.00 C ATOM 518 C SER A 39 -2.265 -8.016 9.871 1.00 0.00 C ATOM 519 O SER A 39 -2.495 -7.591 11.003 1.00 0.00 O ATOM 520 CB SER A 39 0.103 -8.590 9.302 1.00 0.00 C ATOM 521 OG SER A 39 1.161 -8.370 8.386 1.00 0.00 O ATOM 0 H SER A 39 -0.000 -6.230 10.319 1.00 0.00 H new ATOM 0 HA SER A 39 -1.282 -7.550 8.029 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.478 -8.510 10.322 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.281 -9.603 9.182 1.00 0.00 H new ATOM 0 HG SER A 39 1.784 -7.712 8.758 1.00 0.00 H new ATOM 527 N PRO A 40 -3.080 -8.882 9.252 1.00 0.00 N ATOM 528 CA PRO A 40 -4.307 -9.394 9.870 1.00 0.00 C ATOM 529 C PRO A 40 -4.021 -10.340 11.031 1.00 0.00 C ATOM 530 O PRO A 40 -4.936 -10.777 11.729 1.00 0.00 O ATOM 531 CB PRO A 40 -4.995 -10.143 8.727 1.00 0.00 C ATOM 532 CG PRO A 40 -3.888 -10.530 7.808 1.00 0.00 C ATOM 533 CD PRO A 40 -2.868 -9.430 7.902 1.00 0.00 C ATOM 0 HA PRO A 40 -4.911 -8.594 10.298 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.530 -11.019 9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.726 -9.511 8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.457 -11.488 8.098 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.250 -10.640 6.786 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.854 -9.811 7.778 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.021 -8.673 7.133 1.00 0.00 H new ATOM 541 N SER A 41 -2.745 -10.654 11.232 1.00 0.00 N ATOM 542 CA SER A 41 -2.338 -11.552 12.306 1.00 0.00 C ATOM 543 C SER A 41 -1.929 -10.764 13.547 1.00 0.00 C ATOM 544 O SER A 41 -1.843 -11.314 14.644 1.00 0.00 O ATOM 545 CB SER A 41 -1.179 -12.439 11.847 1.00 0.00 C ATOM 546 OG SER A 41 0.006 -11.682 11.677 1.00 0.00 O ATOM 0 H SER A 41 -1.975 -10.299 10.665 1.00 0.00 H new ATOM 0 HA SER A 41 -3.190 -12.183 12.561 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.008 -13.228 12.580 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.440 -12.927 10.908 1.00 0.00 H new ATOM 0 HG SER A 41 0.732 -12.272 11.385 1.00 0.00 H new ATOM 552 N GLY A 42 -1.678 -9.471 13.364 1.00 0.00 N ATOM 553 CA GLY A 42 -1.281 -8.628 14.476 1.00 0.00 C ATOM 554 C GLY A 42 0.153 -8.151 14.359 1.00 0.00 C ATOM 555 O GLY A 42 0.773 -7.777 15.355 1.00 0.00 O ATOM 0 H GLY A 42 -1.743 -8.993 12.465 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.945 -7.765 14.529 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.402 -9.180 15.408 1.00 0.00 H new ATOM 559 N ARG A 43 0.682 -8.165 13.140 1.00 0.00 N ATOM 560 CA ARG A 43 2.053 -7.734 12.897 1.00 0.00 C ATOM 561 C ARG A 43 2.088 -6.546 11.940 1.00 0.00 C ATOM 562 O ARG A 43 1.635 -6.640 10.800 1.00 0.00 O ATOM 563 CB ARG A 43 2.880 -8.887 12.325 1.00 0.00 C ATOM 564 CG ARG A 43 4.327 -8.519 12.045 1.00 0.00 C ATOM 565 CD ARG A 43 4.979 -9.507 11.091 1.00 0.00 C ATOM 566 NE ARG A 43 6.429 -9.344 11.039 1.00 0.00 N ATOM 567 CZ ARG A 43 7.176 -9.724 10.009 1.00 0.00 C ATOM 568 NH1 ARG A 43 6.612 -10.286 8.949 1.00 0.00 N ATOM 569 NH2 ARG A 43 8.490 -9.541 10.037 1.00 0.00 N ATOM 0 H ARG A 43 0.182 -8.470 12.305 1.00 0.00 H new ATOM 0 HA ARG A 43 2.484 -7.425 13.849 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.855 -9.722 13.025 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.416 -9.232 11.401 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.373 -7.517 11.619 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.885 -8.494 12.981 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.740 -10.524 11.403 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.563 -9.374 10.092 1.00 0.00 H new ATOM 0 HE ARG A 43 6.894 -8.914 11.839 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.602 -10.427 8.923 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.188 -10.577 8.159 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.927 -9.108 10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.063 -9.833 9.245 1.00 0.00 H new ATOM 583 N VAL A 44 2.628 -5.427 12.414 1.00 0.00 N ATOM 584 CA VAL A 44 2.723 -4.220 11.601 1.00 0.00 C ATOM 585 C VAL A 44 4.171 -3.768 11.455 1.00 0.00 C ATOM 586 O VAL A 44 4.948 -3.815 12.410 1.00 0.00 O ATOM 587 CB VAL A 44 1.896 -3.070 12.206 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.237 -2.883 13.676 1.00 0.00 C ATOM 589 CG2 VAL A 44 2.126 -1.783 11.429 1.00 0.00 C ATOM 0 H VAL A 44 3.006 -5.332 13.356 1.00 0.00 H new ATOM 0 HA VAL A 44 2.323 -4.468 10.618 1.00 0.00 H new ATOM 0 HB VAL A 44 0.839 -3.328 12.133 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.643 -2.066 14.086 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.016 -3.801 14.220 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.296 -2.647 13.777 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.534 -0.981 11.870 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.183 -1.518 11.468 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.826 -1.926 10.391 1.00 0.00 H new ATOM 599 N THR A 45 4.530 -3.330 10.252 1.00 0.00 N ATOM 600 CA THR A 45 5.886 -2.870 9.980 1.00 0.00 C ATOM 601 C THR A 45 5.882 -1.462 9.396 1.00 0.00 C ATOM 602 O THR A 45 4.823 -0.893 9.133 1.00 0.00 O ATOM 603 CB THR A 45 6.615 -3.815 9.006 1.00 0.00 C ATOM 604 OG1 THR A 45 5.734 -4.199 7.944 1.00 0.00 O ATOM 605 CG2 THR A 45 7.117 -5.055 9.729 1.00 0.00 C ATOM 0 H THR A 45 3.900 -3.284 9.451 1.00 0.00 H new ATOM 0 HA THR A 45 6.415 -2.864 10.933 1.00 0.00 H new ATOM 0 HB THR A 45 7.472 -3.284 8.592 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.205 -4.798 7.328 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.628 -5.707 9.021 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.810 -4.761 10.517 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.273 -5.587 10.168 1.00 0.00 H new ATOM 613 N GLU A 46 7.072 -0.905 9.195 1.00 0.00 N ATOM 614 CA GLU A 46 7.204 0.437 8.643 1.00 0.00 C ATOM 615 C GLU A 46 7.484 0.384 7.144 1.00 0.00 C ATOM 616 O GLU A 46 8.415 -0.288 6.699 1.00 0.00 O ATOM 617 CB GLU A 46 8.324 1.199 9.355 1.00 0.00 C ATOM 618 CG GLU A 46 8.265 2.703 9.148 1.00 0.00 C ATOM 619 CD GLU A 46 9.136 3.462 10.131 1.00 0.00 C ATOM 620 OE1 GLU A 46 9.118 3.113 11.330 1.00 0.00 O ATOM 621 OE2 GLU A 46 9.834 4.403 9.701 1.00 0.00 O ATOM 0 H GLU A 46 7.958 -1.363 9.406 1.00 0.00 H new ATOM 0 HA GLU A 46 6.261 0.960 8.801 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.275 0.986 10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.286 0.829 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.580 2.939 8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.233 3.040 9.248 1.00 0.00 H new ATOM 628 N ALA A 47 6.672 1.096 6.370 1.00 0.00 N ATOM 629 CA ALA A 47 6.832 1.130 4.921 1.00 0.00 C ATOM 630 C ALA A 47 7.797 2.235 4.502 1.00 0.00 C ATOM 631 O ALA A 47 8.006 3.200 5.237 1.00 0.00 O ATOM 632 CB ALA A 47 5.483 1.322 4.245 1.00 0.00 C ATOM 0 H ALA A 47 5.896 1.657 6.722 1.00 0.00 H new ATOM 0 HA ALA A 47 7.252 0.175 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.618 1.345 3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.822 0.497 4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.041 2.262 4.576 1.00 0.00 H new ATOM 638 N GLU A 48 8.383 2.085 3.318 1.00 0.00 N ATOM 639 CA GLU A 48 9.327 3.070 2.804 1.00 0.00 C ATOM 640 C GLU A 48 8.673 3.945 1.738 1.00 0.00 C ATOM 641 O GLU A 48 7.942 3.453 0.879 1.00 0.00 O ATOM 642 CB GLU A 48 10.558 2.373 2.222 1.00 0.00 C ATOM 643 CG GLU A 48 11.544 3.325 1.566 1.00 0.00 C ATOM 644 CD GLU A 48 12.663 2.601 0.843 1.00 0.00 C ATOM 645 OE1 GLU A 48 12.489 2.288 -0.354 1.00 0.00 O ATOM 646 OE2 GLU A 48 13.710 2.347 1.473 1.00 0.00 O ATOM 0 H GLU A 48 8.221 1.292 2.698 1.00 0.00 H new ATOM 0 HA GLU A 48 9.636 3.707 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.066 1.828 3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.234 1.636 1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.012 3.962 0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.971 3.979 2.326 1.00 0.00 H new ATOM 653 N ILE A 49 8.942 5.245 1.802 1.00 0.00 N ATOM 654 CA ILE A 49 8.381 6.189 0.844 1.00 0.00 C ATOM 655 C ILE A 49 9.440 6.661 -0.147 1.00 0.00 C ATOM 656 O ILE A 49 10.283 7.497 0.180 1.00 0.00 O ATOM 657 CB ILE A 49 7.773 7.414 1.550 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.636 6.983 2.479 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.274 8.422 0.526 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.310 8.002 3.548 1.00 0.00 C ATOM 0 H ILE A 49 9.545 5.668 2.507 1.00 0.00 H new ATOM 0 HA ILE A 49 7.593 5.662 0.307 1.00 0.00 H new ATOM 0 HB ILE A 49 8.548 7.889 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.743 6.795 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.905 6.041 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.847 9.283 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.106 8.749 -0.098 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.511 7.958 -0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.495 7.630 4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.190 8.173 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.009 8.939 3.078 1.00 0.00 H new ATOM 672 N VAL A 50 9.390 6.120 -1.360 1.00 0.00 N ATOM 673 CA VAL A 50 10.343 6.488 -2.401 1.00 0.00 C ATOM 674 C VAL A 50 9.839 7.676 -3.212 1.00 0.00 C ATOM 675 O VAL A 50 8.661 7.771 -3.555 1.00 0.00 O ATOM 676 CB VAL A 50 10.617 5.309 -3.353 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.559 5.732 -4.470 1.00 0.00 C ATOM 678 CG2 VAL A 50 11.186 4.125 -2.585 1.00 0.00 C ATOM 0 H VAL A 50 8.700 5.426 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 50 11.271 6.762 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 50 9.673 5.001 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.741 4.886 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.108 6.547 -5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.504 6.067 -4.042 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.374 3.301 -3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.120 4.417 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.472 3.807 -1.825 1.00 0.00 H new ATOM 688 N PRO A 51 10.753 8.606 -3.529 1.00 0.00 N ATOM 689 CA PRO A 51 10.425 9.805 -4.306 1.00 0.00 C ATOM 690 C PRO A 51 10.104 9.483 -5.762 1.00 0.00 C ATOM 691 O PRO A 51 11.004 9.256 -6.570 1.00 0.00 O ATOM 692 CB PRO A 51 11.700 10.647 -4.213 1.00 0.00 C ATOM 693 CG PRO A 51 12.789 9.660 -3.973 1.00 0.00 C ATOM 694 CD PRO A 51 12.176 8.557 -3.155 1.00 0.00 C ATOM 0 HA PRO A 51 9.537 10.308 -3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.871 11.209 -5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.637 11.372 -3.402 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.182 9.276 -4.914 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.623 10.121 -3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.620 7.589 -3.389 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.317 8.723 -2.087 1.00 0.00 H new ATOM 702 N MET A 52 8.816 9.466 -6.089 1.00 0.00 N ATOM 703 CA MET A 52 8.377 9.174 -7.448 1.00 0.00 C ATOM 704 C MET A 52 8.502 10.407 -8.337 1.00 0.00 C ATOM 705 O MET A 52 8.896 10.310 -9.499 1.00 0.00 O ATOM 706 CB MET A 52 6.930 8.678 -7.444 1.00 0.00 C ATOM 707 CG MET A 52 6.800 7.182 -7.208 1.00 0.00 C ATOM 708 SD MET A 52 7.127 6.213 -8.693 1.00 0.00 S ATOM 709 CE MET A 52 5.622 5.248 -8.806 1.00 0.00 C ATOM 0 H MET A 52 8.058 9.651 -5.431 1.00 0.00 H new ATOM 0 HA MET A 52 9.020 8.392 -7.850 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.375 9.209 -6.671 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.466 8.928 -8.398 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.493 6.881 -6.422 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.795 6.961 -6.849 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.672 4.596 -9.678 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.510 4.643 -7.907 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.767 5.917 -8.902 1.00 0.00 H new ATOM 719 N GLY A 53 8.163 11.568 -7.783 1.00 0.00 N ATOM 720 CA GLY A 53 8.245 12.803 -8.540 1.00 0.00 C ATOM 721 C GLY A 53 7.561 13.959 -7.838 1.00 0.00 C ATOM 722 O GLY A 53 7.983 14.379 -6.761 1.00 0.00 O ATOM 0 H GLY A 53 7.833 11.675 -6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.292 13.053 -8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.790 12.656 -9.520 1.00 0.00 H new ATOM 726 N LYS A 54 6.501 14.478 -8.450 1.00 0.00 N ATOM 727 CA LYS A 54 5.757 15.593 -7.878 1.00 0.00 C ATOM 728 C LYS A 54 4.747 15.101 -6.846 1.00 0.00 C ATOM 729 O LYS A 54 3.814 14.371 -7.176 1.00 0.00 O ATOM 730 CB LYS A 54 5.036 16.371 -8.981 1.00 0.00 C ATOM 731 CG LYS A 54 5.945 17.306 -9.760 1.00 0.00 C ATOM 732 CD LYS A 54 6.847 16.540 -10.714 1.00 0.00 C ATOM 733 CE LYS A 54 7.189 17.368 -11.943 1.00 0.00 C ATOM 734 NZ LYS A 54 8.042 16.611 -12.901 1.00 0.00 N ATOM 0 H LYS A 54 6.138 14.143 -9.343 1.00 0.00 H new ATOM 0 HA LYS A 54 6.467 16.253 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.578 15.664 -9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.228 16.951 -8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.341 18.018 -10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.555 17.884 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.764 16.255 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.354 15.618 -11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.270 17.677 -12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.706 18.277 -11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.253 17.209 -13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.930 16.338 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.539 15.756 -13.214 1.00 0.00 H new ATOM 748 N ASN A 55 4.941 15.508 -5.595 1.00 0.00 N ATOM 749 CA ASN A 55 4.046 15.109 -4.515 1.00 0.00 C ATOM 750 C ASN A 55 3.573 13.671 -4.703 1.00 0.00 C ATOM 751 O ASN A 55 2.423 13.341 -4.413 1.00 0.00 O ATOM 752 CB ASN A 55 2.841 16.049 -4.449 1.00 0.00 C ATOM 753 CG ASN A 55 2.406 16.529 -5.820 1.00 0.00 C ATOM 754 OD1 ASN A 55 3.136 17.493 -6.369 1.00 0.00 O flip ATOM 755 ND2 ASN A 55 1.426 16.037 -6.380 1.00 0.00 N flip ATOM 0 H ASN A 55 5.709 16.113 -5.305 1.00 0.00 H new ATOM 0 HA ASN A 55 4.599 15.171 -3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.009 15.536 -3.966 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.089 16.910 -3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.894 15.298 -5.921 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.146 16.369 -7.303 1.00 0.00 H new ATOM 762 N SER A 56 4.469 12.818 -5.190 1.00 0.00 N ATOM 763 CA SER A 56 4.143 11.416 -5.421 1.00 0.00 C ATOM 764 C SER A 56 4.907 10.515 -4.455 1.00 0.00 C ATOM 765 O SER A 56 6.136 10.556 -4.390 1.00 0.00 O ATOM 766 CB SER A 56 4.466 11.025 -6.864 1.00 0.00 C ATOM 767 OG SER A 56 3.673 11.759 -7.781 1.00 0.00 O ATOM 0 H SER A 56 5.426 13.074 -5.432 1.00 0.00 H new ATOM 0 HA SER A 56 3.075 11.284 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.522 11.206 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.293 9.958 -7.002 1.00 0.00 H new ATOM 0 HG SER A 56 3.758 12.717 -7.593 1.00 0.00 H new ATOM 773 N HIS A 57 4.170 9.701 -3.706 1.00 0.00 N ATOM 774 CA HIS A 57 4.777 8.788 -2.744 1.00 0.00 C ATOM 775 C HIS A 57 4.552 7.336 -3.155 1.00 0.00 C ATOM 776 O HIS A 57 3.429 6.935 -3.463 1.00 0.00 O ATOM 777 CB HIS A 57 4.202 9.030 -1.347 1.00 0.00 C ATOM 778 CG HIS A 57 4.016 10.480 -1.019 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.065 11.328 -0.736 1.00 0.00 N ATOM 780 CD2 HIS A 57 2.893 11.230 -0.932 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.596 12.537 -0.487 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.280 12.505 -0.600 1.00 0.00 N ATOM 0 H HIS A 57 3.152 9.655 -3.747 1.00 0.00 H new ATOM 0 HA HIS A 57 5.850 8.979 -2.726 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.241 8.521 -1.265 1.00 0.00 H new ATOM 0 HB3 HIS A 57 4.865 8.581 -0.607 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.881 10.889 -1.094 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.188 13.404 -0.234 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.654 13.298 -0.463 1.00 0.00 H new ATOM 791 N CYS A 58 5.625 6.554 -3.157 1.00 0.00 N ATOM 792 CA CYS A 58 5.545 5.147 -3.532 1.00 0.00 C ATOM 793 C CYS A 58 5.808 4.248 -2.328 1.00 0.00 C ATOM 794 O CYS A 58 6.954 4.056 -1.922 1.00 0.00 O ATOM 795 CB CYS A 58 6.547 4.836 -4.644 1.00 0.00 C ATOM 796 SG CYS A 58 6.662 3.081 -5.066 1.00 0.00 S ATOM 0 H CYS A 58 6.561 6.870 -2.903 1.00 0.00 H new ATOM 0 HA CYS A 58 4.537 4.950 -3.896 1.00 0.00 H new ATOM 0 HB2 CYS A 58 6.268 5.396 -5.537 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.532 5.191 -4.340 1.00 0.00 H new ATOM 0 HG CYS A 58 7.533 2.920 -6.017 1.00 0.00 H new ATOM 802 N VAL A 59 4.739 3.700 -1.760 1.00 0.00 N ATOM 803 CA VAL A 59 4.853 2.821 -0.602 1.00 0.00 C ATOM 804 C VAL A 59 5.178 1.393 -1.026 1.00 0.00 C ATOM 805 O VAL A 59 4.284 0.615 -1.358 1.00 0.00 O ATOM 806 CB VAL A 59 3.557 2.816 0.229 1.00 0.00 C ATOM 807 CG1 VAL A 59 3.702 1.908 1.440 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.191 4.230 0.654 1.00 0.00 C ATOM 0 H VAL A 59 3.783 3.849 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 59 5.667 3.209 0.011 1.00 0.00 H new ATOM 0 HB VAL A 59 2.750 2.427 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.776 1.918 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.913 0.891 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.521 2.263 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.272 4.207 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.997 4.649 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.041 4.849 -0.231 1.00 0.00 H new ATOM 818 N ARG A 60 6.463 1.055 -1.011 1.00 0.00 N ATOM 819 CA ARG A 60 6.906 -0.280 -1.394 1.00 0.00 C ATOM 820 C ARG A 60 6.845 -1.235 -0.206 1.00 0.00 C ATOM 821 O ARG A 60 7.443 -0.981 0.840 1.00 0.00 O ATOM 822 CB ARG A 60 8.332 -0.228 -1.948 1.00 0.00 C ATOM 823 CG ARG A 60 9.067 -1.555 -1.862 1.00 0.00 C ATOM 824 CD ARG A 60 10.293 -1.572 -2.761 1.00 0.00 C ATOM 825 NE ARG A 60 11.151 -2.723 -2.496 1.00 0.00 N ATOM 826 CZ ARG A 60 12.085 -3.154 -3.337 1.00 0.00 C ATOM 827 NH1 ARG A 60 12.280 -2.530 -4.491 1.00 0.00 N ATOM 828 NH2 ARG A 60 12.826 -4.209 -3.025 1.00 0.00 N ATOM 0 H ARG A 60 7.215 1.687 -0.738 1.00 0.00 H new ATOM 0 HA ARG A 60 6.235 -0.649 -2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.297 0.091 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 60 8.898 0.527 -1.402 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.368 -1.739 -0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.394 -2.364 -2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.977 -1.588 -3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.862 -0.654 -2.614 1.00 0.00 H new ATOM 0 HE ARG A 60 11.027 -3.224 -1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.713 -1.718 -4.734 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.997 -2.862 -5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.679 -4.691 -2.138 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.542 -4.538 -3.672 1.00 0.00 H new ATOM 842 N PHE A 61 6.118 -2.335 -0.374 1.00 0.00 N ATOM 843 CA PHE A 61 5.978 -3.328 0.685 1.00 0.00 C ATOM 844 C PHE A 61 5.618 -4.693 0.106 1.00 0.00 C ATOM 845 O PHE A 61 5.000 -4.787 -0.955 1.00 0.00 O ATOM 846 CB PHE A 61 4.907 -2.888 1.686 1.00 0.00 C ATOM 847 CG PHE A 61 3.526 -2.826 1.099 1.00 0.00 C ATOM 848 CD1 PHE A 61 2.829 -3.988 0.810 1.00 0.00 C ATOM 849 CD2 PHE A 61 2.925 -1.606 0.835 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.558 -3.935 0.270 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.655 -1.547 0.295 1.00 0.00 C ATOM 852 CZ PHE A 61 0.970 -2.712 0.011 1.00 0.00 C ATOM 0 H PHE A 61 5.617 -2.561 -1.233 1.00 0.00 H new ATOM 0 HA PHE A 61 6.935 -3.412 1.200 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.904 -3.579 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.170 -1.906 2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.284 -4.947 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.455 -0.691 1.054 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.025 -4.848 0.051 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.198 -0.589 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.023 -2.667 -0.412 1.00 0.00 H new ATOM 862 N VAL A 62 6.012 -5.750 0.810 1.00 0.00 N ATOM 863 CA VAL A 62 5.732 -7.110 0.368 1.00 0.00 C ATOM 864 C VAL A 62 4.573 -7.716 1.152 1.00 0.00 C ATOM 865 O VAL A 62 4.715 -8.115 2.308 1.00 0.00 O ATOM 866 CB VAL A 62 6.968 -8.016 0.519 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.664 -9.423 0.029 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.154 -7.426 -0.231 1.00 0.00 C ATOM 0 H VAL A 62 6.526 -5.690 1.689 1.00 0.00 H new ATOM 0 HA VAL A 62 5.462 -7.050 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 62 7.227 -8.075 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.550 -10.048 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.845 -9.843 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.379 -9.388 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.019 -8.078 -0.114 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.907 -7.336 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.386 -6.440 0.172 1.00 0.00 H new ATOM 878 N PRO A 63 3.398 -7.788 0.511 1.00 0.00 N ATOM 879 CA PRO A 63 2.191 -8.345 1.130 1.00 0.00 C ATOM 880 C PRO A 63 2.286 -9.854 1.330 1.00 0.00 C ATOM 881 O PRO A 63 3.325 -10.459 1.067 1.00 0.00 O ATOM 882 CB PRO A 63 1.088 -8.007 0.123 1.00 0.00 C ATOM 883 CG PRO A 63 1.793 -7.883 -1.183 1.00 0.00 C ATOM 884 CD PRO A 63 3.156 -7.332 -0.868 1.00 0.00 C ATOM 0 HA PRO A 63 2.018 -7.937 2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.329 -8.788 0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.580 -7.080 0.388 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.869 -8.851 -1.679 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.251 -7.220 -1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.912 -7.712 -1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.177 -6.245 -0.941 1.00 0.00 H new ATOM 892 N GLN A 64 1.195 -10.454 1.795 1.00 0.00 N ATOM 893 CA GLN A 64 1.157 -11.893 2.030 1.00 0.00 C ATOM 894 C GLN A 64 0.120 -12.563 1.135 1.00 0.00 C ATOM 895 O GLN A 64 -0.659 -11.890 0.461 1.00 0.00 O ATOM 896 CB GLN A 64 0.844 -12.183 3.499 1.00 0.00 C ATOM 897 CG GLN A 64 1.959 -11.780 4.450 1.00 0.00 C ATOM 898 CD GLN A 64 3.272 -12.468 4.134 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.571 -13.536 4.669 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.066 -11.858 3.261 1.00 0.00 N ATOM 0 H GLN A 64 0.327 -9.967 2.016 1.00 0.00 H new ATOM 0 HA GLN A 64 2.138 -12.302 1.787 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.068 -11.656 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.645 -13.248 3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.099 -10.700 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.664 -12.019 5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.779 -10.974 2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.963 -12.274 3.010 1.00 0.00 H new ATOM 909 N GLU A 65 0.118 -13.893 1.133 1.00 0.00 N ATOM 910 CA GLU A 65 -0.823 -14.653 0.319 1.00 0.00 C ATOM 911 C GLU A 65 -2.168 -14.791 1.027 1.00 0.00 C ATOM 912 O GLU A 65 -2.232 -15.205 2.184 1.00 0.00 O ATOM 913 CB GLU A 65 -0.255 -16.039 0.004 1.00 0.00 C ATOM 914 CG GLU A 65 0.630 -16.598 1.104 1.00 0.00 C ATOM 915 CD GLU A 65 0.662 -18.114 1.114 1.00 0.00 C ATOM 916 OE1 GLU A 65 -0.410 -18.729 1.292 1.00 0.00 O ATOM 917 OE2 GLU A 65 1.760 -18.685 0.942 1.00 0.00 O ATOM 0 H GLU A 65 0.757 -14.465 1.685 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.978 -14.111 -0.614 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.080 -16.729 -0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.319 -15.985 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.644 -16.218 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.273 -16.240 2.070 1.00 0.00 H new ATOM 924 N MET A 66 -3.239 -14.441 0.323 1.00 0.00 N ATOM 925 CA MET A 66 -4.583 -14.526 0.884 1.00 0.00 C ATOM 926 C MET A 66 -4.661 -13.795 2.221 1.00 0.00 C ATOM 927 O MET A 66 -5.378 -14.216 3.128 1.00 0.00 O ATOM 928 CB MET A 66 -4.991 -15.989 1.065 1.00 0.00 C ATOM 929 CG MET A 66 -4.433 -16.913 -0.006 1.00 0.00 C ATOM 930 SD MET A 66 -5.039 -16.509 -1.656 1.00 0.00 S ATOM 931 CE MET A 66 -3.497 -16.223 -2.522 1.00 0.00 C ATOM 0 H MET A 66 -3.203 -14.096 -0.636 1.00 0.00 H new ATOM 0 HA MET A 66 -5.272 -14.048 0.188 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.653 -16.334 2.042 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.079 -16.057 1.061 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.345 -16.856 0.001 1.00 0.00 H new ATOM 0 HG3 MET A 66 -4.700 -17.943 0.233 1.00 0.00 H new ATOM 0 HE1 MET A 66 -3.635 -16.418 -3.585 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.187 -15.188 -2.380 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.729 -16.889 -2.128 1.00 0.00 H new ATOM 941 N GLY A 67 -3.918 -12.698 2.335 1.00 0.00 N ATOM 942 CA GLY A 67 -3.918 -11.927 3.565 1.00 0.00 C ATOM 943 C GLY A 67 -4.256 -10.468 3.334 1.00 0.00 C ATOM 944 O GLY A 67 -3.623 -9.798 2.518 1.00 0.00 O ATOM 0 H GLY A 67 -3.317 -12.330 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.638 -12.358 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.938 -12.000 4.036 1.00 0.00 H new ATOM 948 N VAL A 68 -5.258 -9.973 4.054 1.00 0.00 N ATOM 949 CA VAL A 68 -5.680 -8.584 3.923 1.00 0.00 C ATOM 950 C VAL A 68 -4.925 -7.686 4.897 1.00 0.00 C ATOM 951 O VAL A 68 -5.052 -7.826 6.114 1.00 0.00 O ATOM 952 CB VAL A 68 -7.193 -8.431 4.169 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.654 -7.028 3.805 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.968 -9.477 3.383 1.00 0.00 C ATOM 0 H VAL A 68 -5.792 -10.514 4.734 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.453 -8.280 2.901 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.389 -8.588 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.725 -6.939 3.985 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.121 -6.300 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.446 -6.839 2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.035 -9.355 3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.768 -9.354 2.319 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.657 -10.473 3.698 1.00 0.00 H new ATOM 964 N HIS A 69 -4.138 -6.762 4.354 1.00 0.00 N ATOM 965 CA HIS A 69 -3.362 -5.840 5.175 1.00 0.00 C ATOM 966 C HIS A 69 -3.943 -4.431 5.106 1.00 0.00 C ATOM 967 O HIS A 69 -4.667 -4.091 4.169 1.00 0.00 O ATOM 968 CB HIS A 69 -1.902 -5.825 4.722 1.00 0.00 C ATOM 969 CG HIS A 69 -1.343 -7.189 4.457 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.842 -8.031 3.485 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.321 -7.856 5.042 1.00 0.00 C ATOM 972 CE1 HIS A 69 -1.151 -9.157 3.485 1.00 0.00 C ATOM 973 NE2 HIS A 69 -0.222 -9.076 4.420 1.00 0.00 N ATOM 0 H HIS A 69 -4.021 -6.632 3.349 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.410 -6.184 6.208 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.817 -5.224 3.816 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.298 -5.336 5.486 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.622 -7.818 2.864 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.301 -7.496 5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.318 -10.000 2.831 1.00 0.00 H new ATOM 982 N THR A 70 -3.622 -3.614 6.105 1.00 0.00 N ATOM 983 CA THR A 70 -4.114 -2.243 6.159 1.00 0.00 C ATOM 984 C THR A 70 -2.961 -1.247 6.210 1.00 0.00 C ATOM 985 O THR A 70 -2.046 -1.383 7.023 1.00 0.00 O ATOM 986 CB THR A 70 -5.024 -2.020 7.381 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.806 -3.194 7.630 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.945 -0.830 7.160 1.00 0.00 C ATOM 0 H THR A 70 -3.023 -3.878 6.887 1.00 0.00 H new ATOM 0 HA THR A 70 -4.693 -2.079 5.250 1.00 0.00 H new ATOM 0 HB THR A 70 -4.391 -1.815 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.381 -3.045 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.578 -0.692 8.036 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.348 0.067 6.999 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.570 -1.011 6.286 1.00 0.00 H new ATOM 996 N VAL A 71 -3.010 -0.246 5.338 1.00 0.00 N ATOM 997 CA VAL A 71 -1.970 0.775 5.285 1.00 0.00 C ATOM 998 C VAL A 71 -2.317 1.959 6.180 1.00 0.00 C ATOM 999 O VAL A 71 -3.210 2.746 5.867 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.751 1.279 3.846 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.576 2.243 3.792 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.535 0.108 2.899 1.00 0.00 C ATOM 0 H VAL A 71 -3.759 -0.120 4.658 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.051 0.310 5.642 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.645 1.815 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.436 2.589 2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.776 3.097 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.327 1.735 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.382 0.482 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.658 -0.457 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.410 -0.541 2.917 1.00 0.00 H new ATOM 1012 N SER A 72 -1.603 2.081 7.295 1.00 0.00 N ATOM 1013 CA SER A 72 -1.837 3.168 8.238 1.00 0.00 C ATOM 1014 C SER A 72 -0.962 4.373 7.906 1.00 0.00 C ATOM 1015 O SER A 72 0.254 4.343 8.097 1.00 0.00 O ATOM 1016 CB SER A 72 -1.560 2.700 9.667 1.00 0.00 C ATOM 1017 OG SER A 72 -1.315 3.801 10.526 1.00 0.00 O ATOM 0 H SER A 72 -0.858 1.440 7.567 1.00 0.00 H new ATOM 0 HA SER A 72 -2.882 3.467 8.158 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.411 2.128 10.037 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.699 2.031 9.674 1.00 0.00 H new ATOM 0 HG SER A 72 -1.142 3.475 11.434 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.589 5.433 7.407 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.869 6.649 7.049 1.00 0.00 C ATOM 1025 C VAL A 73 -1.372 7.843 7.854 1.00 0.00 C ATOM 1026 O VAL A 73 -2.477 8.337 7.629 1.00 0.00 O ATOM 1027 CB VAL A 73 -1.008 6.962 5.547 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.184 8.187 5.179 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.593 5.760 4.713 1.00 0.00 C ATOM 0 H VAL A 73 -2.595 5.474 7.241 1.00 0.00 H new ATOM 0 HA VAL A 73 0.182 6.474 7.281 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.054 7.180 5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.294 8.393 4.114 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.532 9.046 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.866 8.001 5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.697 5.998 3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.446 5.509 4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.230 4.910 4.958 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.553 8.302 8.794 1.00 0.00 N ATOM 1040 CA LYS A 74 -0.912 9.440 9.632 1.00 0.00 C ATOM 1041 C LYS A 74 -0.073 10.664 9.278 1.00 0.00 C ATOM 1042 O LYS A 74 1.012 10.541 8.709 1.00 0.00 O ATOM 1043 CB LYS A 74 -0.723 9.090 11.110 1.00 0.00 C ATOM 1044 CG LYS A 74 -1.958 8.485 11.755 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.025 8.803 13.239 1.00 0.00 C ATOM 1046 CE LYS A 74 -3.378 8.435 13.828 1.00 0.00 C ATOM 1047 NZ LYS A 74 -3.407 7.028 14.315 1.00 0.00 N ATOM 0 H LYS A 74 0.364 7.903 8.995 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.961 9.676 9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.107 8.389 11.206 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.443 9.991 11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.851 8.865 11.260 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.951 7.404 11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.239 8.261 13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.837 9.865 13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.611 9.109 14.652 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.152 8.574 13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.031 6.462 13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.446 6.632 14.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.765 7.006 15.291 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.583 11.842 9.618 1.00 0.00 N ATOM 1062 CA TYR A 75 0.119 13.088 9.334 1.00 0.00 C ATOM 1063 C TYR A 75 -0.015 14.067 10.497 1.00 0.00 C ATOM 1064 O TYR A 75 -1.121 14.465 10.863 1.00 0.00 O ATOM 1065 CB TYR A 75 -0.424 13.724 8.053 1.00 0.00 C ATOM 1066 CG TYR A 75 -0.011 15.167 7.872 1.00 0.00 C ATOM 1067 CD1 TYR A 75 1.302 15.501 7.566 1.00 0.00 C ATOM 1068 CD2 TYR A 75 -0.934 16.197 8.007 1.00 0.00 C ATOM 1069 CE1 TYR A 75 1.684 16.819 7.399 1.00 0.00 C ATOM 1070 CE2 TYR A 75 -0.562 17.517 7.840 1.00 0.00 C ATOM 1071 CZ TYR A 75 0.748 17.823 7.537 1.00 0.00 C ATOM 1072 OH TYR A 75 1.124 19.136 7.372 1.00 0.00 O ATOM 0 H TYR A 75 -1.479 11.961 10.090 1.00 0.00 H new ATOM 0 HA TYR A 75 1.175 12.856 9.197 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.079 13.146 7.196 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.512 13.664 8.061 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.037 14.717 7.457 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.960 15.961 8.247 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.709 17.061 7.162 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.293 18.305 7.946 1.00 0.00 H new ATOM 0 HH TYR A 75 0.346 19.718 7.502 1.00 0.00 H new ATOM 1082 N ARG A 76 1.119 14.449 11.074 1.00 0.00 N ATOM 1083 CA ARG A 76 1.129 15.380 12.196 1.00 0.00 C ATOM 1084 C ARG A 76 0.253 14.868 13.335 1.00 0.00 C ATOM 1085 O ARG A 76 -0.256 15.648 14.140 1.00 0.00 O ATOM 1086 CB ARG A 76 0.645 16.760 11.746 1.00 0.00 C ATOM 1087 CG ARG A 76 1.554 17.421 10.723 1.00 0.00 C ATOM 1088 CD ARG A 76 2.623 18.269 11.393 1.00 0.00 C ATOM 1089 NE ARG A 76 2.081 19.068 12.488 1.00 0.00 N ATOM 1090 CZ ARG A 76 1.446 20.222 12.313 1.00 0.00 C ATOM 1091 NH1 ARG A 76 1.274 20.708 11.091 1.00 0.00 N ATOM 1092 NH2 ARG A 76 0.980 20.891 13.360 1.00 0.00 N ATOM 0 H ARG A 76 2.043 14.128 10.783 1.00 0.00 H new ATOM 0 HA ARG A 76 2.154 15.463 12.558 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.355 16.665 11.323 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.562 17.409 12.618 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.028 16.656 10.108 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.959 18.044 10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.413 17.622 11.773 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.079 18.928 10.654 1.00 0.00 H new ATOM 0 HE ARG A 76 2.196 18.721 13.440 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.629 20.196 10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.786 21.594 10.958 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.109 20.520 14.301 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.493 21.777 13.224 1.00 0.00 H new ATOM 1106 N GLY A 77 0.080 13.551 13.397 1.00 0.00 N ATOM 1107 CA GLY A 77 -0.735 12.958 14.440 1.00 0.00 C ATOM 1108 C GLY A 77 -2.209 12.941 14.085 1.00 0.00 C ATOM 1109 O GLY A 77 -3.066 13.035 14.963 1.00 0.00 O ATOM 0 H GLY A 77 0.490 12.884 12.743 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.397 11.938 14.625 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.594 13.514 15.367 1.00 0.00 H new ATOM 1113 N GLN A 78 -2.504 12.823 12.794 1.00 0.00 N ATOM 1114 CA GLN A 78 -3.884 12.797 12.326 1.00 0.00 C ATOM 1115 C GLN A 78 -3.997 12.040 11.006 1.00 0.00 C ATOM 1116 O GLN A 78 -3.428 12.449 9.994 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.415 14.221 12.157 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.563 14.974 13.469 1.00 0.00 C ATOM 1119 CD GLN A 78 -5.358 16.257 13.319 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -4.823 17.287 12.910 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -6.642 16.200 13.651 1.00 0.00 N ATOM 0 H GLN A 78 -1.806 12.744 12.055 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.485 12.279 13.074 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.742 14.776 11.503 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.384 14.182 11.659 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.053 14.331 14.200 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.574 15.208 13.863 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.044 15.324 13.986 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.227 17.032 13.571 1.00 0.00 H new ATOM 1130 N HIS A 79 -4.734 10.934 11.025 1.00 0.00 N ATOM 1131 CA HIS A 79 -4.922 10.120 9.830 1.00 0.00 C ATOM 1132 C HIS A 79 -5.289 10.990 8.631 1.00 0.00 C ATOM 1133 O HIS A 79 -6.053 11.947 8.757 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.010 9.072 10.066 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.513 7.836 10.750 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.577 6.992 10.192 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -5.826 7.305 11.955 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.337 5.993 11.023 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.082 6.160 12.101 1.00 0.00 N ATOM 0 H HIS A 79 -5.211 10.581 11.855 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.981 9.614 9.615 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -6.805 9.515 10.666 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.450 8.795 9.108 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -4.138 7.119 9.280 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.530 7.707 12.669 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.649 5.179 10.850 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.738 10.653 7.470 1.00 0.00 N ATOM 1149 CA VAL A 80 -5.007 11.403 6.249 1.00 0.00 C ATOM 1150 C VAL A 80 -6.345 10.999 5.640 1.00 0.00 C ATOM 1151 O VAL A 80 -6.893 9.944 5.960 1.00 0.00 O ATOM 1152 CB VAL A 80 -3.895 11.193 5.204 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.535 11.524 5.798 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.923 9.766 4.677 1.00 0.00 C ATOM 0 H VAL A 80 -4.102 9.865 7.349 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.040 12.457 6.526 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.073 11.869 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.762 11.370 5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.523 12.565 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.344 10.875 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.131 9.635 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.770 9.070 5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.889 9.569 4.211 1.00 0.00 H new ATOM 1164 N THR A 81 -6.867 11.846 4.758 1.00 0.00 N ATOM 1165 CA THR A 81 -8.142 11.579 4.104 1.00 0.00 C ATOM 1166 C THR A 81 -8.131 10.220 3.414 1.00 0.00 C ATOM 1167 O THR A 81 -7.274 9.945 2.576 1.00 0.00 O ATOM 1168 CB THR A 81 -8.479 12.666 3.066 1.00 0.00 C ATOM 1169 OG1 THR A 81 -8.539 13.948 3.701 1.00 0.00 O ATOM 1170 CG2 THR A 81 -9.807 12.370 2.384 1.00 0.00 C ATOM 0 H THR A 81 -6.426 12.723 4.480 1.00 0.00 H new ATOM 0 HA THR A 81 -8.904 11.582 4.883 1.00 0.00 H new ATOM 0 HB THR A 81 -7.693 12.672 2.310 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.752 14.634 3.034 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.024 13.151 1.655 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.749 11.407 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.601 12.340 3.131 1.00 0.00 H new ATOM 1178 N GLY A 82 -9.091 9.372 3.772 1.00 0.00 N ATOM 1179 CA GLY A 82 -9.173 8.051 3.177 1.00 0.00 C ATOM 1180 C GLY A 82 -8.532 6.984 4.042 1.00 0.00 C ATOM 1181 O GLY A 82 -9.129 5.938 4.294 1.00 0.00 O ATOM 0 H GLY A 82 -9.813 9.576 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.219 7.797 3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.686 8.064 2.202 1.00 0.00 H new ATOM 1185 N SER A 83 -7.311 7.248 4.496 1.00 0.00 N ATOM 1186 CA SER A 83 -6.585 6.300 5.333 1.00 0.00 C ATOM 1187 C SER A 83 -7.350 6.017 6.623 1.00 0.00 C ATOM 1188 O SER A 83 -8.125 6.841 7.108 1.00 0.00 O ATOM 1189 CB SER A 83 -5.191 6.839 5.661 1.00 0.00 C ATOM 1190 OG SER A 83 -4.757 6.389 6.933 1.00 0.00 O ATOM 0 H SER A 83 -6.804 8.111 4.298 1.00 0.00 H new ATOM 0 HA SER A 83 -6.484 5.367 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.484 6.517 4.897 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.205 7.929 5.643 1.00 0.00 H new ATOM 0 HG SER A 83 -4.009 6.944 7.239 1.00 0.00 H new ATOM 1196 N PRO A 84 -7.128 4.823 7.191 1.00 0.00 N ATOM 1197 CA PRO A 84 -6.208 3.833 6.622 1.00 0.00 C ATOM 1198 C PRO A 84 -6.737 3.227 5.327 1.00 0.00 C ATOM 1199 O PRO A 84 -7.944 3.217 5.082 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.116 2.765 7.714 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.393 2.888 8.473 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.758 4.346 8.434 1.00 0.00 C ATOM 0 HA PRO A 84 -5.247 4.275 6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.005 1.769 7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.254 2.932 8.360 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.175 2.277 8.022 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.272 2.543 9.500 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.838 4.489 8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.379 4.878 9.306 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.827 2.724 4.500 1.00 0.00 N ATOM 1211 CA PHE A 85 -6.203 2.116 3.228 1.00 0.00 C ATOM 1212 C PHE A 85 -6.075 0.597 3.293 1.00 0.00 C ATOM 1213 O PHE A 85 -4.970 0.058 3.335 1.00 0.00 O ATOM 1214 CB PHE A 85 -5.329 2.665 2.099 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.346 4.164 2.002 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.386 4.818 1.360 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.323 4.918 2.552 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.403 6.197 1.269 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.335 6.298 2.465 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.378 6.938 1.823 1.00 0.00 C ATOM 0 H PHE A 85 -4.824 2.725 4.687 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.244 2.367 3.027 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.303 2.330 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.666 2.244 1.152 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.191 4.244 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.506 4.422 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.218 6.695 0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.531 6.874 2.898 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.391 8.016 1.755 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.215 -0.087 3.301 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.231 -1.543 3.362 1.00 0.00 C ATOM 1232 C GLN A 86 -7.297 -2.146 1.963 1.00 0.00 C ATOM 1233 O GLN A 86 -8.060 -1.686 1.113 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.420 -2.027 4.195 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.181 -3.365 4.877 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.470 -4.097 5.193 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -9.829 -5.064 4.522 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.174 -3.638 6.222 1.00 0.00 N ATOM 0 H GLN A 86 -8.139 0.344 3.266 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.306 -1.871 3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.651 -1.278 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.295 -2.108 3.551 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.561 -3.990 4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.624 -3.204 5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.839 -2.833 6.751 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.050 -4.091 6.483 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.493 -3.178 1.730 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.459 -3.843 0.432 1.00 0.00 C ATOM 1249 C PHE A 87 -6.268 -5.348 0.597 1.00 0.00 C ATOM 1250 O PHE A 87 -5.499 -5.799 1.447 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.334 -3.267 -0.431 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.961 -3.549 0.108 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.315 -4.736 -0.194 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.316 -2.626 0.915 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -2.051 -4.999 0.301 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -2.052 -2.882 1.413 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.418 -4.070 1.104 1.00 0.00 C ATOM 0 H PHE A 87 -5.856 -3.572 2.423 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.414 -3.667 -0.063 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.412 -3.678 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.468 -2.189 -0.516 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.804 -5.465 -0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.807 -1.695 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.559 -5.930 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.561 -2.155 2.042 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.430 -4.272 1.489 1.00 0.00 H new ATOM 1267 N THR A 88 -6.975 -6.121 -0.221 1.00 0.00 N ATOM 1268 CA THR A 88 -6.886 -7.575 -0.166 1.00 0.00 C ATOM 1269 C THR A 88 -5.907 -8.106 -1.206 1.00 0.00 C ATOM 1270 O THR A 88 -5.960 -7.724 -2.376 1.00 0.00 O ATOM 1271 CB THR A 88 -8.261 -8.231 -0.390 1.00 0.00 C ATOM 1272 OG1 THR A 88 -9.216 -7.695 0.533 1.00 0.00 O ATOM 1273 CG2 THR A 88 -8.175 -9.740 -0.220 1.00 0.00 C ATOM 0 H THR A 88 -7.616 -5.764 -0.930 1.00 0.00 H new ATOM 0 HA THR A 88 -6.527 -7.832 0.831 1.00 0.00 H new ATOM 0 HB THR A 88 -8.581 -8.014 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.088 -8.116 0.383 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.158 -10.181 -0.383 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.470 -10.148 -0.944 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.835 -9.974 0.789 1.00 0.00 H new ATOM 1281 N VAL A 89 -5.012 -8.989 -0.774 1.00 0.00 N ATOM 1282 CA VAL A 89 -4.022 -9.575 -1.670 1.00 0.00 C ATOM 1283 C VAL A 89 -4.545 -10.858 -2.305 1.00 0.00 C ATOM 1284 O VAL A 89 -5.213 -11.659 -1.652 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.707 -9.881 -0.928 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.593 -10.184 -1.919 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.324 -8.721 -0.022 1.00 0.00 C ATOM 0 H VAL A 89 -4.952 -9.314 0.191 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.828 -8.840 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.858 -10.763 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.672 -10.398 -1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.868 -11.049 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.440 -9.322 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.393 -8.955 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.191 -7.820 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.114 -8.556 0.711 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.236 -11.047 -3.584 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.682 -12.236 -4.287 1.00 0.00 C ATOM 1299 C GLY A 90 -3.532 -13.133 -4.698 1.00 0.00 C ATOM 1300 O GLY A 90 -2.448 -13.094 -4.116 1.00 0.00 O ATOM 0 H GLY A 90 -3.685 -10.398 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.365 -12.796 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.243 -11.941 -5.174 1.00 0.00 H new ATOM 1304 N PRO A 91 -3.764 -13.967 -5.722 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.750 -14.896 -6.232 1.00 0.00 C ATOM 1306 C PRO A 91 -1.612 -14.175 -6.948 1.00 0.00 C ATOM 1307 O PRO A 91 -1.828 -13.164 -7.617 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.532 -15.769 -7.216 1.00 0.00 C ATOM 1309 CG PRO A 91 -4.678 -14.921 -7.649 1.00 0.00 C ATOM 1310 CD PRO A 91 -5.033 -14.068 -6.462 1.00 0.00 C ATOM 0 HA PRO A 91 -2.271 -15.458 -5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.913 -16.061 -8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.877 -16.688 -6.742 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.406 -14.304 -8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.525 -15.536 -7.955 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.399 -13.088 -6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.815 -14.527 -5.857 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.401 -14.702 -6.803 1.00 0.00 N ATOM 1319 CA LEU A 92 0.771 -14.109 -7.437 1.00 0.00 C ATOM 1320 C LEU A 92 0.642 -14.137 -8.956 1.00 0.00 C ATOM 1321 O LEU A 92 1.197 -13.288 -9.652 1.00 0.00 O ATOM 1322 CB LEU A 92 2.038 -14.853 -7.008 1.00 0.00 C ATOM 1323 CG LEU A 92 2.392 -16.099 -7.821 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.835 -16.508 -7.568 1.00 0.00 C ATOM 1325 CD2 LEU A 92 1.445 -17.242 -7.486 1.00 0.00 C ATOM 0 H LEU A 92 -0.205 -15.538 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 92 0.840 -13.070 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.877 -14.160 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.928 -15.144 -5.963 1.00 0.00 H new ATOM 0 HG LEU A 92 2.283 -15.862 -8.879 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.070 -17.396 -8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.500 -15.695 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.971 -16.726 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.712 -18.120 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.522 -17.479 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.422 -16.947 -7.719 1.00 0.00 H new