USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 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 79 HIS : no HD1:sc= -2.65 K(o=-2.6,f=-3.6!) USER MOD Set 1.2: A 83 SER OG : rot -147:sc= 0.0503 USER MOD Set 2.1: A 36 HIS : no HD1:sc= -0.373 X(o=0.52,f=0.4) USER MOD Set 2.2: A 72 SER OG : rot -17:sc= 0.891 USER MOD Set 3.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 69 HIS : no HE2:sc= -6.27! C(o=-6.3!,f=-7.8!) USER MOD Set 4.1: A 30 SER OG : rot -72:sc= 1.37 USER MOD Set 4.2: A 33 MET CE :methyl 147:sc= -0.831 (180deg=-2.75) USER MOD Set 4.3: A 57 HIS : no HD1:sc= -2.98 K(o=-2.4,f=-9.9!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -160:sc= -0.211 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.035) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0951 K(o=-0.095,f=-1.3!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0167 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 : amide:sc= -0.435 K(o=-0.43,f=-2) USER MOD Single : A 56 SER OG : rot 35:sc= 0.436 USER MOD Single : A 58 CYS SG : rot 180:sc=-0.00671 USER MOD Single : A 64 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.27) USER MOD Single : A 66 MET CE :methyl -134:sc= -2.55 (180deg=-4.15!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=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 X(o=0,f=-0.14) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N ALA A 13 -3.845 -5.968 -5.019 1.00 0.00 N ATOM 142 CA ALA A 13 -2.457 -6.299 -4.722 1.00 0.00 C ATOM 143 C ALA A 13 -2.198 -7.791 -4.902 1.00 0.00 C ATOM 144 O ALA A 13 -3.070 -8.620 -4.635 1.00 0.00 O ATOM 145 CB ALA A 13 -2.102 -5.866 -3.308 1.00 0.00 C ATOM 0 HA ALA A 13 -1.822 -5.760 -5.425 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.062 -6.120 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.239 -4.789 -3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.750 -6.379 -2.597 1.00 0.00 H new ATOM 151 N THR A 14 -0.995 -8.128 -5.356 1.00 0.00 N ATOM 152 CA THR A 14 -0.622 -9.520 -5.572 1.00 0.00 C ATOM 153 C THR A 14 0.408 -9.980 -4.547 1.00 0.00 C ATOM 154 O THR A 14 1.313 -9.229 -4.183 1.00 0.00 O ATOM 155 CB THR A 14 -0.054 -9.736 -6.988 1.00 0.00 C ATOM 156 OG1 THR A 14 -0.892 -9.095 -7.955 1.00 0.00 O ATOM 157 CG2 THR A 14 0.056 -11.219 -7.307 1.00 0.00 C ATOM 0 H THR A 14 -0.262 -7.455 -5.581 1.00 0.00 H new ATOM 0 HA THR A 14 -1.531 -10.111 -5.459 1.00 0.00 H new ATOM 0 HB THR A 14 0.944 -9.298 -7.026 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.523 -9.236 -8.852 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.459 -11.346 -8.312 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.719 -11.698 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.931 -11.677 -7.252 1.00 0.00 H new ATOM 165 N VAL A 15 0.267 -11.218 -4.086 1.00 0.00 N ATOM 166 CA VAL A 15 1.187 -11.779 -3.104 1.00 0.00 C ATOM 167 C VAL A 15 2.613 -11.811 -3.643 1.00 0.00 C ATOM 168 O VAL A 15 2.843 -12.171 -4.797 1.00 0.00 O ATOM 169 CB VAL A 15 0.772 -13.204 -2.695 1.00 0.00 C ATOM 170 CG1 VAL A 15 0.640 -14.095 -3.921 1.00 0.00 C ATOM 171 CG2 VAL A 15 1.771 -13.787 -1.707 1.00 0.00 C ATOM 0 H VAL A 15 -0.477 -11.853 -4.377 1.00 0.00 H new ATOM 0 HA VAL A 15 1.147 -11.132 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.201 -13.154 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.346 -15.098 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.117 -13.685 -4.589 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.596 -14.142 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.462 -14.795 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.758 -13.824 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.810 -13.160 -0.816 1.00 0.00 H new ATOM 181 N GLY A 16 3.568 -11.434 -2.799 1.00 0.00 N ATOM 182 CA GLY A 16 4.960 -11.428 -3.208 1.00 0.00 C ATOM 183 C GLY A 16 5.298 -10.247 -4.097 1.00 0.00 C ATOM 184 O GLY A 16 6.310 -9.577 -3.892 1.00 0.00 O ATOM 0 H GLY A 16 3.402 -11.132 -1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.596 -11.406 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.184 -12.354 -3.738 1.00 0.00 H new ATOM 188 N SER A 17 4.450 -9.992 -5.088 1.00 0.00 N ATOM 189 CA SER A 17 4.666 -8.887 -6.014 1.00 0.00 C ATOM 190 C SER A 17 4.771 -7.562 -5.265 1.00 0.00 C ATOM 191 O SER A 17 3.883 -7.202 -4.492 1.00 0.00 O ATOM 192 CB SER A 17 3.529 -8.820 -7.036 1.00 0.00 C ATOM 193 OG SER A 17 3.151 -10.116 -7.464 1.00 0.00 O ATOM 0 H SER A 17 3.607 -10.536 -5.270 1.00 0.00 H new ATOM 0 HA SER A 17 5.606 -9.063 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.670 -8.314 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.843 -8.227 -7.895 1.00 0.00 H new ATOM 0 HG SER A 17 2.672 -10.052 -8.316 1.00 0.00 H new ATOM 199 N ILE A 18 5.863 -6.842 -5.500 1.00 0.00 N ATOM 200 CA ILE A 18 6.084 -5.557 -4.849 1.00 0.00 C ATOM 201 C ILE A 18 4.891 -4.628 -5.047 1.00 0.00 C ATOM 202 O ILE A 18 4.577 -4.235 -6.171 1.00 0.00 O ATOM 203 CB ILE A 18 7.353 -4.866 -5.383 1.00 0.00 C ATOM 204 CG1 ILE A 18 8.565 -5.786 -5.226 1.00 0.00 C ATOM 205 CG2 ILE A 18 7.583 -3.548 -4.658 1.00 0.00 C ATOM 206 CD1 ILE A 18 8.975 -6.004 -3.786 1.00 0.00 C ATOM 0 H ILE A 18 6.608 -7.127 -6.136 1.00 0.00 H new ATOM 0 HA ILE A 18 6.211 -5.760 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 18 7.216 -4.655 -6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.340 -6.750 -5.681 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.406 -5.362 -5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.483 -3.071 -5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.728 -2.891 -4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.703 -3.736 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.840 -6.666 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.231 -5.047 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.149 -6.456 -3.237 1.00 0.00 H new ATOM 218 N CYS A 19 4.232 -4.279 -3.948 1.00 0.00 N ATOM 219 CA CYS A 19 3.073 -3.394 -4.000 1.00 0.00 C ATOM 220 C CYS A 19 3.503 -1.931 -3.954 1.00 0.00 C ATOM 221 O CYS A 19 4.212 -1.510 -3.040 1.00 0.00 O ATOM 222 CB CYS A 19 2.123 -3.695 -2.839 1.00 0.00 C ATOM 223 SG CYS A 19 0.387 -3.335 -3.194 1.00 0.00 S ATOM 0 H CYS A 19 4.480 -4.595 -3.010 1.00 0.00 H new ATOM 0 HA CYS A 19 2.553 -3.572 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.217 -4.747 -2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.433 -3.115 -1.970 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.337 -3.623 -2.154 1.00 0.00 H new ATOM 229 N ASP A 20 3.072 -1.162 -4.948 1.00 0.00 N ATOM 230 CA ASP A 20 3.413 0.254 -5.023 1.00 0.00 C ATOM 231 C ASP A 20 2.182 1.122 -4.782 1.00 0.00 C ATOM 232 O ASP A 20 1.199 1.043 -5.520 1.00 0.00 O ATOM 233 CB ASP A 20 4.026 0.582 -6.385 1.00 0.00 C ATOM 234 CG ASP A 20 5.259 -0.249 -6.680 1.00 0.00 C ATOM 235 OD1 ASP A 20 6.293 -0.035 -6.012 1.00 0.00 O ATOM 236 OD2 ASP A 20 5.191 -1.114 -7.578 1.00 0.00 O ATOM 0 H ASP A 20 2.486 -1.495 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 20 4.145 0.468 -4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.283 0.414 -7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.288 1.640 -6.417 1.00 0.00 H new ATOM 241 N LEU A 21 2.242 1.950 -3.745 1.00 0.00 N ATOM 242 CA LEU A 21 1.132 2.834 -3.406 1.00 0.00 C ATOM 243 C LEU A 21 1.382 4.246 -3.925 1.00 0.00 C ATOM 244 O LEU A 21 2.204 4.982 -3.380 1.00 0.00 O ATOM 245 CB LEU A 21 0.923 2.865 -1.891 1.00 0.00 C ATOM 246 CG LEU A 21 -0.502 3.146 -1.416 1.00 0.00 C ATOM 247 CD1 LEU A 21 -1.349 1.885 -1.491 1.00 0.00 C ATOM 248 CD2 LEU A 21 -0.492 3.700 0.002 1.00 0.00 C ATOM 0 H LEU A 21 3.048 2.028 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 21 0.232 2.446 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.239 1.906 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.582 3.624 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.943 3.894 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.360 2.105 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.384 1.531 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.911 1.114 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.515 3.894 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.032 2.974 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.078 4.629 0.026 1.00 0.00 H new ATOM 260 N ASN A 22 0.666 4.618 -4.981 1.00 0.00 N ATOM 261 CA ASN A 22 0.809 5.944 -5.573 1.00 0.00 C ATOM 262 C ASN A 22 -0.044 6.967 -4.830 1.00 0.00 C ATOM 263 O ASN A 22 -1.256 6.794 -4.687 1.00 0.00 O ATOM 264 CB ASN A 22 0.414 5.910 -7.051 1.00 0.00 C ATOM 265 CG ASN A 22 0.897 4.655 -7.751 1.00 0.00 C ATOM 266 OD1 ASN A 22 0.106 3.911 -8.331 1.00 0.00 O ATOM 267 ND2 ASN A 22 2.202 4.413 -7.698 1.00 0.00 N ATOM 0 H ASN A 22 -0.019 4.021 -5.444 1.00 0.00 H new ATOM 0 HA ASN A 22 1.854 6.241 -5.490 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.671 5.975 -7.136 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.826 6.785 -7.554 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.585 3.583 -8.149 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.821 5.058 -7.206 1.00 0.00 H new ATOM 274 N LEU A 23 0.595 8.032 -4.359 1.00 0.00 N ATOM 275 CA LEU A 23 -0.105 9.084 -3.630 1.00 0.00 C ATOM 276 C LEU A 23 0.254 10.460 -4.182 1.00 0.00 C ATOM 277 O LEU A 23 1.404 10.717 -4.538 1.00 0.00 O ATOM 278 CB LEU A 23 0.236 9.014 -2.141 1.00 0.00 C ATOM 279 CG LEU A 23 -0.668 8.126 -1.286 1.00 0.00 C ATOM 280 CD1 LEU A 23 -0.029 7.860 0.068 1.00 0.00 C ATOM 281 CD2 LEU A 23 -2.038 8.768 -1.114 1.00 0.00 C ATOM 0 H LEU A 23 1.597 8.190 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.176 8.930 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.261 8.658 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.208 10.025 -1.734 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.797 7.172 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.687 7.226 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.928 7.358 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.131 8.805 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.668 8.122 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.927 9.736 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.500 8.906 -2.091 1.00 0.00 H new ATOM 293 N LYS A 24 -0.737 11.342 -4.248 1.00 0.00 N ATOM 294 CA LYS A 24 -0.527 12.694 -4.753 1.00 0.00 C ATOM 295 C LYS A 24 -1.038 13.732 -3.758 1.00 0.00 C ATOM 296 O LYS A 24 -2.199 14.137 -3.812 1.00 0.00 O ATOM 297 CB LYS A 24 -1.231 12.873 -6.100 1.00 0.00 C ATOM 298 CG LYS A 24 -1.690 14.297 -6.362 1.00 0.00 C ATOM 299 CD LYS A 24 -1.682 14.621 -7.846 1.00 0.00 C ATOM 300 CE LYS A 24 -2.962 14.159 -8.525 1.00 0.00 C ATOM 301 NZ LYS A 24 -4.044 15.178 -8.421 1.00 0.00 N ATOM 0 H LYS A 24 -1.695 11.145 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 24 0.544 12.842 -4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.555 12.566 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.094 12.209 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.695 14.435 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.039 14.993 -5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.563 15.696 -7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.825 14.142 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.761 13.949 -9.575 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.297 13.226 -8.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.900 14.826 -8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.254 15.360 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.734 16.061 -8.876 1.00 0.00 H new ATOM 315 N ILE A 25 -0.163 14.158 -2.854 1.00 0.00 N ATOM 316 CA ILE A 25 -0.526 15.150 -1.849 1.00 0.00 C ATOM 317 C ILE A 25 0.551 16.221 -1.720 1.00 0.00 C ATOM 318 O ILE A 25 1.526 16.071 -0.983 1.00 0.00 O ATOM 319 CB ILE A 25 -0.755 14.500 -0.472 1.00 0.00 C ATOM 320 CG1 ILE A 25 -1.469 13.156 -0.631 1.00 0.00 C ATOM 321 CG2 ILE A 25 -1.558 15.430 0.425 1.00 0.00 C ATOM 322 CD1 ILE A 25 -1.805 12.491 0.686 1.00 0.00 C ATOM 0 H ILE A 25 0.802 13.832 -2.796 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.456 15.611 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 25 0.213 14.322 -0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.388 13.307 -1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.839 12.486 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.712 14.957 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.014 16.365 0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.524 15.635 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.309 11.543 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.888 12.308 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.460 13.141 1.265 1.00 0.00 H new ATOM 334 N PRO A 26 0.374 17.331 -2.453 1.00 0.00 N ATOM 335 CA PRO A 26 1.320 18.451 -2.436 1.00 0.00 C ATOM 336 C PRO A 26 1.301 19.205 -1.111 1.00 0.00 C ATOM 337 O PRO A 26 2.143 20.068 -0.867 1.00 0.00 O ATOM 338 CB PRO A 26 0.824 19.351 -3.570 1.00 0.00 C ATOM 339 CG PRO A 26 -0.626 19.035 -3.699 1.00 0.00 C ATOM 340 CD PRO A 26 -0.765 17.578 -3.354 1.00 0.00 C ATOM 0 HA PRO A 26 2.350 18.117 -2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.980 20.404 -3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.357 19.148 -4.499 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.221 19.654 -3.027 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.980 19.232 -4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.717 17.370 -2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.719 16.948 -4.243 1.00 0.00 H new ATOM 348 N GLU A 27 0.337 18.872 -0.259 1.00 0.00 N ATOM 349 CA GLU A 27 0.210 19.519 1.042 1.00 0.00 C ATOM 350 C GLU A 27 1.062 18.807 2.089 1.00 0.00 C ATOM 351 O GLU A 27 1.403 19.383 3.123 1.00 0.00 O ATOM 352 CB GLU A 27 -1.254 19.538 1.486 1.00 0.00 C ATOM 353 CG GLU A 27 -2.013 20.772 1.028 1.00 0.00 C ATOM 354 CD GLU A 27 -2.121 20.864 -0.481 1.00 0.00 C ATOM 355 OE1 GLU A 27 -2.915 20.096 -1.066 1.00 0.00 O ATOM 356 OE2 GLU A 27 -1.414 21.701 -1.078 1.00 0.00 O ATOM 0 H GLU A 27 -0.367 18.158 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 27 0.566 20.545 0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.754 18.650 1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.296 19.479 2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.014 20.759 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.513 21.663 1.408 1.00 0.00 H new ATOM 363 N ILE A 28 1.401 17.552 1.814 1.00 0.00 N ATOM 364 CA ILE A 28 2.213 16.762 2.731 1.00 0.00 C ATOM 365 C ILE A 28 3.577 16.447 2.126 1.00 0.00 C ATOM 366 O ILE A 28 3.749 16.480 0.908 1.00 0.00 O ATOM 367 CB ILE A 28 1.514 15.443 3.108 1.00 0.00 C ATOM 368 CG1 ILE A 28 0.242 15.725 3.910 1.00 0.00 C ATOM 369 CG2 ILE A 28 2.458 14.550 3.898 1.00 0.00 C ATOM 370 CD1 ILE A 28 -0.667 14.524 4.044 1.00 0.00 C ATOM 0 H ILE A 28 1.126 17.061 0.964 1.00 0.00 H new ATOM 0 HA ILE A 28 2.347 17.362 3.631 1.00 0.00 H new ATOM 0 HB ILE A 28 1.235 14.923 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.519 16.073 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.308 16.535 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.949 13.622 4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.337 14.326 3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.765 15.062 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.548 14.798 4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.974 14.188 3.054 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.134 13.719 4.551 1.00 0.00 H new ATOM 382 N ASN A 29 4.543 16.141 2.986 1.00 0.00 N ATOM 383 CA ASN A 29 5.892 15.818 2.536 1.00 0.00 C ATOM 384 C ASN A 29 6.294 14.416 2.985 1.00 0.00 C ATOM 385 O ASN A 29 5.897 13.959 4.057 1.00 0.00 O ATOM 386 CB ASN A 29 6.890 16.844 3.075 1.00 0.00 C ATOM 387 CG ASN A 29 6.912 18.117 2.250 1.00 0.00 C ATOM 388 OD1 ASN A 29 6.686 18.090 1.041 1.00 0.00 O ATOM 389 ND2 ASN A 29 7.187 19.240 2.904 1.00 0.00 N ATOM 0 H ASN A 29 4.417 16.110 3.998 1.00 0.00 H new ATOM 0 HA ASN A 29 5.902 15.848 1.446 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.636 17.087 4.107 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.888 16.405 3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 29 7.217 20.128 2.403 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.368 19.215 3.907 1.00 0.00 H new ATOM 396 N SER A 30 7.085 13.740 2.158 1.00 0.00 N ATOM 397 CA SER A 30 7.540 12.390 2.468 1.00 0.00 C ATOM 398 C SER A 30 8.346 12.371 3.764 1.00 0.00 C ATOM 399 O SER A 30 8.434 11.346 4.439 1.00 0.00 O ATOM 400 CB SER A 30 8.386 11.837 1.320 1.00 0.00 C ATOM 401 OG SER A 30 7.852 12.219 0.064 1.00 0.00 O ATOM 0 H SER A 30 7.424 14.105 1.268 1.00 0.00 H new ATOM 0 HA SER A 30 6.661 11.759 2.598 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.409 12.201 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.428 10.750 1.386 1.00 0.00 H new ATOM 0 HG SER A 30 7.026 11.720 -0.105 1.00 0.00 H new ATOM 407 N SER A 31 8.933 13.514 4.104 1.00 0.00 N ATOM 408 CA SER A 31 9.735 13.630 5.316 1.00 0.00 C ATOM 409 C SER A 31 8.850 13.605 6.558 1.00 0.00 C ATOM 410 O SER A 31 9.296 13.234 7.644 1.00 0.00 O ATOM 411 CB SER A 31 10.557 14.920 5.287 1.00 0.00 C ATOM 412 OG SER A 31 11.640 14.855 6.199 1.00 0.00 O ATOM 0 H SER A 31 8.868 14.373 3.557 1.00 0.00 H new ATOM 0 HA SER A 31 10.412 12.777 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.936 15.091 4.279 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.918 15.768 5.536 1.00 0.00 H new ATOM 0 HG SER A 31 12.151 15.691 6.160 1.00 0.00 H new ATOM 418 N ASP A 32 7.594 14.003 6.390 1.00 0.00 N ATOM 419 CA ASP A 32 6.644 14.025 7.496 1.00 0.00 C ATOM 420 C ASP A 32 5.570 12.958 7.312 1.00 0.00 C ATOM 421 O ASP A 32 4.493 13.039 7.903 1.00 0.00 O ATOM 422 CB ASP A 32 5.995 15.405 7.611 1.00 0.00 C ATOM 423 CG ASP A 32 6.857 16.388 8.379 1.00 0.00 C ATOM 424 OD1 ASP A 32 8.043 16.543 8.021 1.00 0.00 O ATOM 425 OD2 ASP A 32 6.345 17.003 9.339 1.00 0.00 O ATOM 0 H ASP A 32 7.210 14.315 5.498 1.00 0.00 H new ATOM 0 HA ASP A 32 7.189 13.811 8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.803 15.797 6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.029 15.309 8.107 1.00 0.00 H new ATOM 430 N MET A 33 5.870 11.959 6.488 1.00 0.00 N ATOM 431 CA MET A 33 4.930 10.876 6.226 1.00 0.00 C ATOM 432 C MET A 33 5.407 9.576 6.865 1.00 0.00 C ATOM 433 O MET A 33 6.608 9.333 6.977 1.00 0.00 O ATOM 434 CB MET A 33 4.749 10.682 4.720 1.00 0.00 C ATOM 435 CG MET A 33 3.764 11.657 4.095 1.00 0.00 C ATOM 436 SD MET A 33 3.652 11.479 2.304 1.00 0.00 S ATOM 437 CE MET A 33 3.401 9.712 2.154 1.00 0.00 C ATOM 0 H MET A 33 6.757 11.877 5.991 1.00 0.00 H new ATOM 0 HA MET A 33 3.971 11.146 6.667 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.716 10.791 4.229 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.409 9.664 4.532 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.778 11.503 4.534 1.00 0.00 H new ATOM 0 HG3 MET A 33 4.065 12.676 4.337 1.00 0.00 H new ATOM 0 HE1 MET A 33 2.765 9.507 1.293 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.363 9.218 2.021 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.922 9.335 3.057 1.00 0.00 H new ATOM 447 N SER A 34 4.458 8.743 7.282 1.00 0.00 N ATOM 448 CA SER A 34 4.783 7.469 7.913 1.00 0.00 C ATOM 449 C SER A 34 3.720 6.420 7.597 1.00 0.00 C ATOM 450 O SER A 34 2.576 6.528 8.037 1.00 0.00 O ATOM 451 CB SER A 34 4.909 7.644 9.428 1.00 0.00 C ATOM 452 OG SER A 34 5.855 8.649 9.748 1.00 0.00 O ATOM 0 H SER A 34 3.459 8.928 7.194 1.00 0.00 H new ATOM 0 HA SER A 34 5.737 7.126 7.513 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.938 7.906 9.849 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.209 6.700 9.883 1.00 0.00 H new ATOM 0 HG SER A 34 5.916 8.743 10.722 1.00 0.00 H new ATOM 458 N ALA A 35 4.109 5.406 6.831 1.00 0.00 N ATOM 459 CA ALA A 35 3.192 4.337 6.457 1.00 0.00 C ATOM 460 C ALA A 35 3.601 3.014 7.096 1.00 0.00 C ATOM 461 O ALA A 35 4.778 2.652 7.098 1.00 0.00 O ATOM 462 CB ALA A 35 3.133 4.197 4.943 1.00 0.00 C ATOM 0 H ALA A 35 5.053 5.303 6.458 1.00 0.00 H new ATOM 0 HA ALA A 35 2.200 4.598 6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.444 3.395 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.786 5.133 4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.126 3.963 4.560 1.00 0.00 H new ATOM 468 N HIS A 36 2.623 2.297 7.640 1.00 0.00 N ATOM 469 CA HIS A 36 2.882 1.014 8.283 1.00 0.00 C ATOM 470 C HIS A 36 1.940 -0.062 7.749 1.00 0.00 C ATOM 471 O HIS A 36 0.729 0.145 7.667 1.00 0.00 O ATOM 472 CB HIS A 36 2.726 1.138 9.799 1.00 0.00 C ATOM 473 CG HIS A 36 3.569 2.220 10.401 1.00 0.00 C ATOM 474 ND1 HIS A 36 3.160 3.534 10.486 1.00 0.00 N ATOM 475 CD2 HIS A 36 4.805 2.176 10.951 1.00 0.00 C ATOM 476 CE1 HIS A 36 4.109 4.252 11.061 1.00 0.00 C ATOM 477 NE2 HIS A 36 5.118 3.451 11.353 1.00 0.00 N ATOM 0 H HIS A 36 1.644 2.583 7.648 1.00 0.00 H new ATOM 0 HA HIS A 36 3.907 0.721 8.054 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.679 1.331 10.034 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.986 0.186 10.262 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.429 1.301 11.054 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.067 5.313 11.259 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.988 3.734 11.804 1.00 0.00 H new ATOM 486 N VAL A 37 2.505 -1.209 7.387 1.00 0.00 N ATOM 487 CA VAL A 37 1.716 -2.317 6.862 1.00 0.00 C ATOM 488 C VAL A 37 1.298 -3.271 7.975 1.00 0.00 C ATOM 489 O VAL A 37 2.121 -4.005 8.521 1.00 0.00 O ATOM 490 CB VAL A 37 2.496 -3.104 5.793 1.00 0.00 C ATOM 491 CG1 VAL A 37 1.714 -4.335 5.359 1.00 0.00 C ATOM 492 CG2 VAL A 37 2.811 -2.214 4.600 1.00 0.00 C ATOM 0 H VAL A 37 3.506 -1.395 7.448 1.00 0.00 H new ATOM 0 HA VAL A 37 0.826 -1.883 6.406 1.00 0.00 H new ATOM 0 HB VAL A 37 3.439 -3.437 6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.281 -4.878 4.603 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.545 -4.981 6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.755 -4.028 4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.363 -2.787 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.882 -1.849 4.163 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.415 -1.368 4.927 1.00 0.00 H new ATOM 502 N THR A 38 0.011 -3.255 8.308 1.00 0.00 N ATOM 503 CA THR A 38 -0.518 -4.117 9.357 1.00 0.00 C ATOM 504 C THR A 38 -1.054 -5.422 8.779 1.00 0.00 C ATOM 505 O THR A 38 -1.807 -5.417 7.805 1.00 0.00 O ATOM 506 CB THR A 38 -1.642 -3.419 10.146 1.00 0.00 C ATOM 507 OG1 THR A 38 -1.179 -2.159 10.647 1.00 0.00 O ATOM 508 CG2 THR A 38 -2.112 -4.288 11.303 1.00 0.00 C ATOM 0 H THR A 38 -0.684 -2.654 7.866 1.00 0.00 H new ATOM 0 HA THR A 38 0.309 -4.334 10.033 1.00 0.00 H new ATOM 0 HB THR A 38 -2.482 -3.255 9.471 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.900 -1.721 11.146 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.906 -3.774 11.845 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.490 -5.234 10.917 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.277 -4.479 11.977 1.00 0.00 H new ATOM 516 N SER A 39 -0.661 -6.538 9.384 1.00 0.00 N ATOM 517 CA SER A 39 -1.101 -7.851 8.926 1.00 0.00 C ATOM 518 C SER A 39 -2.326 -8.317 9.707 1.00 0.00 C ATOM 519 O SER A 39 -2.584 -7.876 10.827 1.00 0.00 O ATOM 520 CB SER A 39 0.030 -8.871 9.074 1.00 0.00 C ATOM 521 OG SER A 39 0.962 -8.756 8.013 1.00 0.00 O ATOM 0 H SER A 39 -0.039 -6.560 10.192 1.00 0.00 H new ATOM 0 HA SER A 39 -1.372 -7.769 7.874 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.538 -8.720 10.026 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.385 -9.879 9.090 1.00 0.00 H new ATOM 0 HG SER A 39 1.676 -9.417 8.131 1.00 0.00 H new ATOM 527 N PRO A 40 -3.100 -9.230 9.102 1.00 0.00 N ATOM 528 CA PRO A 40 -4.311 -9.777 9.721 1.00 0.00 C ATOM 529 C PRO A 40 -3.997 -10.684 10.906 1.00 0.00 C ATOM 530 O PRO A 40 -4.893 -11.078 11.652 1.00 0.00 O ATOM 531 CB PRO A 40 -4.957 -10.579 8.589 1.00 0.00 C ATOM 532 CG PRO A 40 -3.827 -10.942 7.689 1.00 0.00 C ATOM 533 CD PRO A 40 -2.852 -9.799 7.767 1.00 0.00 C ATOM 0 HA PRO A 40 -4.952 -8.993 10.125 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.460 -11.467 8.971 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.707 -9.988 8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.361 -11.875 8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.174 -11.090 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.823 -10.141 7.661 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.027 -9.067 6.979 1.00 0.00 H new ATOM 541 N SER A 41 -2.720 -11.012 11.072 1.00 0.00 N ATOM 542 CA SER A 41 -2.288 -11.876 12.165 1.00 0.00 C ATOM 543 C SER A 41 -1.952 -11.055 13.406 1.00 0.00 C ATOM 544 O SER A 41 -1.903 -11.581 14.517 1.00 0.00 O ATOM 545 CB SER A 41 -1.072 -12.702 11.740 1.00 0.00 C ATOM 546 OG SER A 41 0.029 -11.865 11.429 1.00 0.00 O ATOM 0 H SER A 41 -1.966 -10.693 10.464 1.00 0.00 H new ATOM 0 HA SER A 41 -3.109 -12.551 12.409 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.797 -13.388 12.541 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.327 -13.311 10.872 1.00 0.00 H new ATOM 0 HG SER A 41 0.794 -12.416 11.162 1.00 0.00 H new ATOM 552 N GLY A 42 -1.721 -9.761 13.208 1.00 0.00 N ATOM 553 CA GLY A 42 -1.392 -8.887 14.319 1.00 0.00 C ATOM 554 C GLY A 42 0.030 -8.366 14.245 1.00 0.00 C ATOM 555 O GLY A 42 0.568 -7.869 15.235 1.00 0.00 O ATOM 0 H GLY A 42 -1.756 -9.302 12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.084 -8.045 14.332 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.530 -9.427 15.256 1.00 0.00 H new ATOM 559 N ARG A 43 0.640 -8.481 13.070 1.00 0.00 N ATOM 560 CA ARG A 43 2.009 -8.020 12.873 1.00 0.00 C ATOM 561 C ARG A 43 2.049 -6.826 11.922 1.00 0.00 C ATOM 562 O ARG A 43 1.703 -6.944 10.747 1.00 0.00 O ATOM 563 CB ARG A 43 2.877 -9.153 12.322 1.00 0.00 C ATOM 564 CG ARG A 43 4.311 -8.738 12.037 1.00 0.00 C ATOM 565 CD ARG A 43 5.225 -9.947 11.906 1.00 0.00 C ATOM 566 NE ARG A 43 5.251 -10.468 10.542 1.00 0.00 N ATOM 567 CZ ARG A 43 4.347 -11.313 10.061 1.00 0.00 C ATOM 568 NH1 ARG A 43 3.351 -11.731 10.829 1.00 0.00 N ATOM 569 NH2 ARG A 43 4.439 -11.742 8.808 1.00 0.00 N ATOM 0 H ARG A 43 0.208 -8.889 12.241 1.00 0.00 H new ATOM 0 HA ARG A 43 2.403 -7.707 13.840 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.881 -9.976 13.036 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.427 -9.530 11.403 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.346 -8.153 11.118 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.671 -8.094 12.839 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.235 -9.672 12.208 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.891 -10.730 12.587 1.00 0.00 H new ATOM 0 HE ARG A 43 6.005 -10.166 9.925 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.278 -11.403 11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.658 -12.380 10.457 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.204 -11.422 8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.744 -12.391 8.439 1.00 0.00 H new ATOM 583 N VAL A 44 2.472 -5.678 12.441 1.00 0.00 N ATOM 584 CA VAL A 44 2.558 -4.463 11.639 1.00 0.00 C ATOM 585 C VAL A 44 4.002 -3.995 11.503 1.00 0.00 C ATOM 586 O VAL A 44 4.749 -3.956 12.482 1.00 0.00 O ATOM 587 CB VAL A 44 1.717 -3.326 12.251 1.00 0.00 C ATOM 588 CG1 VAL A 44 2.130 -3.072 13.692 1.00 0.00 C ATOM 589 CG2 VAL A 44 1.848 -2.060 11.418 1.00 0.00 C ATOM 0 H VAL A 44 2.760 -5.564 13.413 1.00 0.00 H new ATOM 0 HA VAL A 44 2.164 -4.707 10.652 1.00 0.00 H new ATOM 0 HB VAL A 44 0.670 -3.629 12.248 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.525 -2.266 14.107 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.979 -3.978 14.279 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.182 -2.790 13.725 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.248 -1.267 11.864 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.893 -1.751 11.388 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.497 -2.254 10.404 1.00 0.00 H new ATOM 599 N THR A 45 4.391 -3.638 10.283 1.00 0.00 N ATOM 600 CA THR A 45 5.746 -3.173 10.018 1.00 0.00 C ATOM 601 C THR A 45 5.740 -1.767 9.430 1.00 0.00 C ATOM 602 O THR A 45 4.680 -1.197 9.174 1.00 0.00 O ATOM 603 CB THR A 45 6.486 -4.118 9.051 1.00 0.00 C ATOM 604 OG1 THR A 45 5.571 -4.640 8.081 1.00 0.00 O ATOM 605 CG2 THR A 45 7.139 -5.264 9.809 1.00 0.00 C ATOM 0 H THR A 45 3.786 -3.662 9.462 1.00 0.00 H new ATOM 0 HA THR A 45 6.268 -3.162 10.975 1.00 0.00 H new ATOM 0 HB THR A 45 7.265 -3.548 8.545 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.049 -5.238 7.469 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.655 -5.918 9.106 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.856 -4.864 10.526 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.374 -5.832 10.339 1.00 0.00 H new ATOM 613 N GLU A 46 6.930 -1.214 9.217 1.00 0.00 N ATOM 614 CA GLU A 46 7.059 0.127 8.658 1.00 0.00 C ATOM 615 C GLU A 46 7.459 0.068 7.187 1.00 0.00 C ATOM 616 O GLU A 46 8.427 -0.600 6.823 1.00 0.00 O ATOM 617 CB GLU A 46 8.092 0.935 9.447 1.00 0.00 C ATOM 618 CG GLU A 46 7.995 2.434 9.220 1.00 0.00 C ATOM 619 CD GLU A 46 9.136 3.197 9.866 1.00 0.00 C ATOM 620 OE1 GLU A 46 9.636 2.738 10.914 1.00 0.00 O ATOM 621 OE2 GLU A 46 9.527 4.251 9.324 1.00 0.00 O ATOM 0 H GLU A 46 7.817 -1.673 9.423 1.00 0.00 H new ATOM 0 HA GLU A 46 6.089 0.619 8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.968 0.728 10.510 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.091 0.598 9.172 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.988 2.636 8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.048 2.798 9.619 1.00 0.00 H new ATOM 628 N ALA A 47 6.707 0.770 6.346 1.00 0.00 N ATOM 629 CA ALA A 47 6.983 0.798 4.915 1.00 0.00 C ATOM 630 C ALA A 47 7.887 1.972 4.554 1.00 0.00 C ATOM 631 O ALA A 47 8.014 2.927 5.319 1.00 0.00 O ATOM 632 CB ALA A 47 5.683 0.869 4.128 1.00 0.00 C ATOM 0 H ALA A 47 5.902 1.327 6.631 1.00 0.00 H new ATOM 0 HA ALA A 47 7.504 -0.123 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.904 0.889 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.072 -0.005 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.140 1.773 4.403 1.00 0.00 H new ATOM 638 N GLU A 48 8.513 1.893 3.384 1.00 0.00 N ATOM 639 CA GLU A 48 9.406 2.950 2.923 1.00 0.00 C ATOM 640 C GLU A 48 8.737 3.796 1.844 1.00 0.00 C ATOM 641 O GLU A 48 8.064 3.270 0.957 1.00 0.00 O ATOM 642 CB GLU A 48 10.706 2.350 2.383 1.00 0.00 C ATOM 643 CG GLU A 48 11.587 3.356 1.662 1.00 0.00 C ATOM 644 CD GLU A 48 11.264 3.460 0.184 1.00 0.00 C ATOM 645 OE1 GLU A 48 10.593 2.549 -0.343 1.00 0.00 O ATOM 646 OE2 GLU A 48 11.683 4.455 -0.445 1.00 0.00 O ATOM 0 H GLU A 48 8.418 1.109 2.739 1.00 0.00 H new ATOM 0 HA GLU A 48 9.636 3.592 3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.267 1.916 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.464 1.536 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.469 4.335 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.632 3.070 1.783 1.00 0.00 H new ATOM 653 N ILE A 49 8.927 5.108 1.927 1.00 0.00 N ATOM 654 CA ILE A 49 8.342 6.027 0.958 1.00 0.00 C ATOM 655 C ILE A 49 9.373 6.462 -0.078 1.00 0.00 C ATOM 656 O ILE A 49 10.463 6.918 0.268 1.00 0.00 O ATOM 657 CB ILE A 49 7.763 7.277 1.646 1.00 0.00 C ATOM 658 CG1 ILE A 49 6.680 6.878 2.650 1.00 0.00 C ATOM 659 CG2 ILE A 49 7.203 8.240 0.610 1.00 0.00 C ATOM 660 CD1 ILE A 49 6.417 7.930 3.705 1.00 0.00 C ATOM 0 H ILE A 49 9.481 5.559 2.655 1.00 0.00 H new ATOM 0 HA ILE A 49 7.535 5.490 0.461 1.00 0.00 H new ATOM 0 HB ILE A 49 8.565 7.780 2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.754 6.675 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.974 5.950 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.797 9.119 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.998 8.545 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.412 7.747 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.638 7.579 4.382 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.331 8.116 4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.092 8.853 3.225 1.00 0.00 H new ATOM 672 N VAL A 50 9.020 6.320 -1.352 1.00 0.00 N ATOM 673 CA VAL A 50 9.913 6.701 -2.439 1.00 0.00 C ATOM 674 C VAL A 50 9.401 7.941 -3.163 1.00 0.00 C ATOM 675 O VAL A 50 8.265 7.989 -3.635 1.00 0.00 O ATOM 676 CB VAL A 50 10.078 5.557 -3.457 1.00 0.00 C ATOM 677 CG1 VAL A 50 11.167 5.891 -4.465 1.00 0.00 C ATOM 678 CG2 VAL A 50 10.383 4.249 -2.744 1.00 0.00 C ATOM 0 H VAL A 50 8.122 5.944 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 50 10.882 6.921 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 50 9.140 5.439 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.269 5.071 -5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 50 10.901 6.803 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.113 6.039 -3.943 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.496 3.452 -3.479 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.307 4.352 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.565 4.004 -2.067 1.00 0.00 H new ATOM 688 N PRO A 51 10.257 8.970 -3.253 1.00 0.00 N ATOM 689 CA PRO A 51 9.913 10.230 -3.919 1.00 0.00 C ATOM 690 C PRO A 51 9.789 10.072 -5.431 1.00 0.00 C ATOM 691 O PRO A 51 10.756 10.270 -6.166 1.00 0.00 O ATOM 692 CB PRO A 51 11.088 11.147 -3.571 1.00 0.00 C ATOM 693 CG PRO A 51 12.227 10.222 -3.315 1.00 0.00 C ATOM 694 CD PRO A 51 11.627 8.982 -2.713 1.00 0.00 C ATOM 0 HA PRO A 51 8.945 10.612 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.311 11.833 -4.389 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.868 11.757 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.756 9.990 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.951 10.673 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.180 8.088 -3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.629 9.022 -1.624 1.00 0.00 H new ATOM 702 N MET A 52 8.594 9.713 -5.888 1.00 0.00 N ATOM 703 CA MET A 52 8.345 9.530 -7.314 1.00 0.00 C ATOM 704 C MET A 52 8.570 10.832 -8.076 1.00 0.00 C ATOM 705 O MET A 52 9.381 10.890 -9.000 1.00 0.00 O ATOM 706 CB MET A 52 6.918 9.030 -7.544 1.00 0.00 C ATOM 707 CG MET A 52 6.752 7.538 -7.310 1.00 0.00 C ATOM 708 SD MET A 52 5.432 6.821 -8.308 1.00 0.00 S ATOM 709 CE MET A 52 6.366 5.710 -9.357 1.00 0.00 C ATOM 0 H MET A 52 7.783 9.543 -5.293 1.00 0.00 H new ATOM 0 HA MET A 52 9.047 8.785 -7.688 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.241 9.571 -6.882 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.620 9.265 -8.566 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.690 7.032 -7.538 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.542 7.361 -6.255 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.687 5.191 -10.033 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.090 6.281 -9.938 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.890 4.981 -8.739 1.00 0.00 H new ATOM 719 N GLY A 53 7.845 11.876 -7.683 1.00 0.00 N ATOM 720 CA GLY A 53 7.980 13.162 -8.341 1.00 0.00 C ATOM 721 C GLY A 53 7.155 14.244 -7.673 1.00 0.00 C ATOM 722 O GLY A 53 7.274 14.472 -6.469 1.00 0.00 O ATOM 0 H GLY A 53 7.167 11.853 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.029 13.458 -8.342 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.674 13.067 -9.383 1.00 0.00 H new ATOM 726 N LYS A 54 6.317 14.915 -8.455 1.00 0.00 N ATOM 727 CA LYS A 54 5.468 15.980 -7.934 1.00 0.00 C ATOM 728 C LYS A 54 4.884 15.595 -6.578 1.00 0.00 C ATOM 729 O LYS A 54 3.827 14.969 -6.503 1.00 0.00 O ATOM 730 CB LYS A 54 4.339 16.289 -8.919 1.00 0.00 C ATOM 731 CG LYS A 54 4.759 17.203 -10.058 1.00 0.00 C ATOM 732 CD LYS A 54 3.559 17.868 -10.710 1.00 0.00 C ATOM 733 CE LYS A 54 3.983 18.825 -11.814 1.00 0.00 C ATOM 734 NZ LYS A 54 4.069 18.144 -13.135 1.00 0.00 N ATOM 0 H LYS A 54 6.207 14.740 -9.454 1.00 0.00 H new ATOM 0 HA LYS A 54 6.083 16.871 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.964 15.354 -9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.513 16.752 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.439 17.967 -9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.307 16.628 -10.804 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.898 17.105 -11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.988 18.410 -9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.270 19.648 -11.875 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.951 19.260 -11.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.361 18.830 -13.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.767 17.375 -13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.139 17.751 -13.384 1.00 0.00 H new ATOM 748 N ASN A 55 5.577 15.975 -5.510 1.00 0.00 N ATOM 749 CA ASN A 55 5.125 15.671 -4.157 1.00 0.00 C ATOM 750 C ASN A 55 4.425 14.316 -4.110 1.00 0.00 C ATOM 751 O ASN A 55 3.485 14.118 -3.341 1.00 0.00 O ATOM 752 CB ASN A 55 4.179 16.763 -3.655 1.00 0.00 C ATOM 753 CG ASN A 55 4.545 18.135 -4.189 1.00 0.00 C ATOM 754 OD1 ASN A 55 4.386 18.413 -5.378 1.00 0.00 O ATOM 755 ND2 ASN A 55 5.037 19.000 -3.310 1.00 0.00 N ATOM 0 H ASN A 55 6.454 16.494 -5.555 1.00 0.00 H new ATOM 0 HA ASN A 55 6.000 15.632 -3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.159 16.521 -3.952 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.197 16.783 -2.565 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.300 19.938 -3.611 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.151 18.726 -2.334 1.00 0.00 H new ATOM 762 N SER A 56 4.892 13.386 -4.937 1.00 0.00 N ATOM 763 CA SER A 56 4.309 12.050 -4.992 1.00 0.00 C ATOM 764 C SER A 56 5.062 11.091 -4.075 1.00 0.00 C ATOM 765 O SER A 56 6.276 11.203 -3.903 1.00 0.00 O ATOM 766 CB SER A 56 4.328 11.521 -6.428 1.00 0.00 C ATOM 767 OG SER A 56 3.611 10.303 -6.532 1.00 0.00 O ATOM 0 H SER A 56 5.672 13.533 -5.578 1.00 0.00 H new ATOM 0 HA SER A 56 3.276 12.117 -4.650 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.891 12.262 -7.098 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.358 11.369 -6.749 1.00 0.00 H new ATOM 0 HG SER A 56 2.841 10.324 -5.926 1.00 0.00 H new ATOM 773 N HIS A 57 4.332 10.148 -3.488 1.00 0.00 N ATOM 774 CA HIS A 57 4.929 9.167 -2.589 1.00 0.00 C ATOM 775 C HIS A 57 4.582 7.747 -3.024 1.00 0.00 C ATOM 776 O HIS A 57 3.409 7.405 -3.182 1.00 0.00 O ATOM 777 CB HIS A 57 4.454 9.404 -1.155 1.00 0.00 C ATOM 778 CG HIS A 57 4.197 10.845 -0.839 1.00 0.00 C ATOM 779 ND1 HIS A 57 5.205 11.751 -0.585 1.00 0.00 N ATOM 780 CD2 HIS A 57 3.038 11.537 -0.738 1.00 0.00 C ATOM 781 CE1 HIS A 57 4.677 12.937 -0.341 1.00 0.00 C ATOM 782 NE2 HIS A 57 3.363 12.834 -0.427 1.00 0.00 N ATOM 0 H HIS A 57 3.326 10.043 -3.619 1.00 0.00 H new ATOM 0 HA HIS A 57 6.012 9.285 -2.630 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.540 8.835 -0.985 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.203 9.017 -0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.042 11.142 -0.876 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.226 13.838 -0.110 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.698 13.594 -0.285 1.00 0.00 H new ATOM 791 N CYS A 58 5.607 6.926 -3.218 1.00 0.00 N ATOM 792 CA CYS A 58 5.410 5.542 -3.638 1.00 0.00 C ATOM 793 C CYS A 58 5.829 4.575 -2.535 1.00 0.00 C ATOM 794 O CYS A 58 7.017 4.408 -2.260 1.00 0.00 O ATOM 795 CB CYS A 58 6.204 5.256 -4.913 1.00 0.00 C ATOM 796 SG CYS A 58 6.533 3.501 -5.199 1.00 0.00 S ATOM 0 H CYS A 58 6.583 7.193 -3.092 1.00 0.00 H new ATOM 0 HA CYS A 58 4.349 5.397 -3.840 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.657 5.656 -5.767 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.153 5.790 -4.865 1.00 0.00 H new ATOM 0 HG CYS A 58 7.208 3.360 -6.301 1.00 0.00 H new ATOM 802 N VAL A 59 4.844 3.942 -1.906 1.00 0.00 N ATOM 803 CA VAL A 59 5.110 2.991 -0.832 1.00 0.00 C ATOM 804 C VAL A 59 5.420 1.606 -1.389 1.00 0.00 C ATOM 805 O VAL A 59 4.565 0.967 -2.003 1.00 0.00 O ATOM 806 CB VAL A 59 3.916 2.889 0.135 1.00 0.00 C ATOM 807 CG1 VAL A 59 4.208 1.884 1.239 1.00 0.00 C ATOM 808 CG2 VAL A 59 3.586 4.254 0.719 1.00 0.00 C ATOM 0 H VAL A 59 3.855 4.070 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 59 5.978 3.362 -0.287 1.00 0.00 H new ATOM 0 HB VAL A 59 3.048 2.538 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.353 1.825 1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.392 0.904 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.089 2.202 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.740 4.163 1.400 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.450 4.636 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.331 4.942 -0.087 1.00 0.00 H new ATOM 818 N ARG A 60 6.647 1.147 -1.170 1.00 0.00 N ATOM 819 CA ARG A 60 7.070 -0.163 -1.650 1.00 0.00 C ATOM 820 C ARG A 60 7.124 -1.170 -0.506 1.00 0.00 C ATOM 821 O ARG A 60 7.837 -0.970 0.478 1.00 0.00 O ATOM 822 CB ARG A 60 8.441 -0.065 -2.323 1.00 0.00 C ATOM 823 CG ARG A 60 9.186 -1.389 -2.383 1.00 0.00 C ATOM 824 CD ARG A 60 10.413 -1.297 -3.277 1.00 0.00 C ATOM 825 NE ARG A 60 10.060 -1.316 -4.694 1.00 0.00 N ATOM 826 CZ ARG A 60 10.956 -1.332 -5.674 1.00 0.00 C ATOM 827 NH1 ARG A 60 12.252 -1.332 -5.393 1.00 0.00 N ATOM 828 NH2 ARG A 60 10.557 -1.349 -6.940 1.00 0.00 N ATOM 0 H ARG A 60 7.366 1.663 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 60 6.338 -0.508 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 60 8.313 0.316 -3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.050 0.661 -1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.488 -1.684 -1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.519 -2.166 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.958 -0.380 -3.051 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.083 -2.128 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 60 9.071 -1.317 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.563 -1.320 -4.422 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.938 -1.344 -6.148 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.561 -1.350 -7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.246 -1.361 -7.692 1.00 0.00 H new ATOM 842 N PHE A 61 6.366 -2.253 -0.641 1.00 0.00 N ATOM 843 CA PHE A 61 6.326 -3.291 0.382 1.00 0.00 C ATOM 844 C PHE A 61 5.878 -4.624 -0.212 1.00 0.00 C ATOM 845 O PHE A 61 5.256 -4.665 -1.273 1.00 0.00 O ATOM 846 CB PHE A 61 5.384 -2.883 1.517 1.00 0.00 C ATOM 847 CG PHE A 61 3.943 -2.804 1.100 1.00 0.00 C ATOM 848 CD1 PHE A 61 3.249 -3.947 0.736 1.00 0.00 C ATOM 849 CD2 PHE A 61 3.282 -1.586 1.071 1.00 0.00 C ATOM 850 CE1 PHE A 61 1.923 -3.877 0.352 1.00 0.00 C ATOM 851 CE2 PHE A 61 1.957 -1.510 0.689 1.00 0.00 C ATOM 852 CZ PHE A 61 1.276 -2.657 0.328 1.00 0.00 C ATOM 0 H PHE A 61 5.771 -2.435 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 61 7.333 -3.411 0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.479 -3.599 2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.695 -1.914 1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.750 -4.904 0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.809 -0.686 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 61 1.393 -4.775 0.071 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.453 -0.555 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.240 -2.600 0.028 1.00 0.00 H new ATOM 862 N VAL A 62 6.199 -5.712 0.481 1.00 0.00 N ATOM 863 CA VAL A 62 5.830 -7.046 0.024 1.00 0.00 C ATOM 864 C VAL A 62 4.711 -7.630 0.878 1.00 0.00 C ATOM 865 O VAL A 62 4.909 -8.003 2.035 1.00 0.00 O ATOM 866 CB VAL A 62 7.037 -8.003 0.053 1.00 0.00 C ATOM 867 CG1 VAL A 62 6.677 -9.335 -0.587 1.00 0.00 C ATOM 868 CG2 VAL A 62 8.234 -7.373 -0.643 1.00 0.00 C ATOM 0 H VAL A 62 6.714 -5.695 1.361 1.00 0.00 H new ATOM 0 HA VAL A 62 5.482 -6.943 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 62 7.307 -8.188 1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.541 -9.998 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.852 -9.790 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.380 -9.172 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.077 -8.063 -0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 62 7.979 -7.157 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.504 -6.447 -0.135 1.00 0.00 H new ATOM 878 N PRO A 63 3.505 -7.713 0.297 1.00 0.00 N ATOM 879 CA PRO A 63 2.329 -8.252 0.988 1.00 0.00 C ATOM 880 C PRO A 63 2.431 -9.756 1.217 1.00 0.00 C ATOM 881 O PRO A 63 3.348 -10.408 0.719 1.00 0.00 O ATOM 882 CB PRO A 63 1.179 -7.933 0.030 1.00 0.00 C ATOM 883 CG PRO A 63 1.818 -7.841 -1.313 1.00 0.00 C ATOM 884 CD PRO A 63 3.196 -7.287 -1.078 1.00 0.00 C ATOM 0 HA PRO A 63 2.206 -7.821 1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.417 -8.712 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.687 -6.998 0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.867 -8.820 -1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.244 -7.192 -1.975 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.916 -7.684 -1.793 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.215 -6.202 -1.176 1.00 0.00 H new ATOM 892 N GLN A 64 1.483 -10.299 1.973 1.00 0.00 N ATOM 893 CA GLN A 64 1.467 -11.727 2.268 1.00 0.00 C ATOM 894 C GLN A 64 0.467 -12.456 1.376 1.00 0.00 C ATOM 895 O GLN A 64 -0.292 -11.829 0.639 1.00 0.00 O ATOM 896 CB GLN A 64 1.121 -11.962 3.740 1.00 0.00 C ATOM 897 CG GLN A 64 2.262 -11.638 4.692 1.00 0.00 C ATOM 898 CD GLN A 64 3.497 -12.477 4.429 1.00 0.00 C ATOM 899 OE1 GLN A 64 3.609 -13.605 4.909 1.00 0.00 O ATOM 900 NE2 GLN A 64 4.433 -11.928 3.663 1.00 0.00 N ATOM 0 H GLN A 64 0.716 -9.773 2.392 1.00 0.00 H new ATOM 0 HA GLN A 64 2.462 -12.125 2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.256 -11.354 4.003 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.831 -13.004 3.875 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.518 -10.582 4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.931 -11.798 5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.298 -10.990 3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.287 -12.445 3.452 1.00 0.00 H new ATOM 909 N GLU A 65 0.473 -13.784 1.450 1.00 0.00 N ATOM 910 CA GLU A 65 -0.433 -14.597 0.648 1.00 0.00 C ATOM 911 C GLU A 65 -1.807 -14.690 1.306 1.00 0.00 C ATOM 912 O GLU A 65 -1.923 -15.047 2.478 1.00 0.00 O ATOM 913 CB GLU A 65 0.146 -16.000 0.450 1.00 0.00 C ATOM 914 CG GLU A 65 0.657 -16.634 1.732 1.00 0.00 C ATOM 915 CD GLU A 65 2.092 -16.251 2.040 1.00 0.00 C ATOM 916 OE1 GLU A 65 2.990 -16.643 1.267 1.00 0.00 O ATOM 917 OE2 GLU A 65 2.316 -15.558 3.055 1.00 0.00 O ATOM 0 H GLU A 65 1.095 -14.318 2.057 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.547 -14.118 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.621 -16.643 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.962 -15.949 -0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.018 -16.332 2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.584 -17.719 1.651 1.00 0.00 H new ATOM 924 N MET A 66 -2.845 -14.365 0.542 1.00 0.00 N ATOM 925 CA MET A 66 -4.211 -14.412 1.049 1.00 0.00 C ATOM 926 C MET A 66 -4.316 -13.700 2.394 1.00 0.00 C ATOM 927 O MET A 66 -4.964 -14.190 3.318 1.00 0.00 O ATOM 928 CB MET A 66 -4.676 -15.863 1.190 1.00 0.00 C ATOM 929 CG MET A 66 -4.821 -16.587 -0.139 1.00 0.00 C ATOM 930 SD MET A 66 -3.292 -17.384 -0.666 1.00 0.00 S ATOM 931 CE MET A 66 -2.716 -16.225 -1.905 1.00 0.00 C ATOM 0 H MET A 66 -2.766 -14.066 -0.430 1.00 0.00 H new ATOM 0 HA MET A 66 -4.855 -13.899 0.335 1.00 0.00 H new ATOM 0 HB2 MET A 66 -3.965 -16.405 1.814 1.00 0.00 H new ATOM 0 HB3 MET A 66 -5.634 -15.880 1.710 1.00 0.00 H new ATOM 0 HG2 MET A 66 -5.607 -17.337 -0.056 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.138 -15.877 -0.903 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.399 -16.770 -2.794 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.524 -15.541 -2.167 1.00 0.00 H new ATOM 0 HE3 MET A 66 -1.874 -15.657 -1.509 1.00 0.00 H new ATOM 941 N GLY A 67 -3.675 -12.539 2.496 1.00 0.00 N ATOM 942 CA GLY A 67 -3.709 -11.779 3.731 1.00 0.00 C ATOM 943 C GLY A 67 -4.069 -10.324 3.506 1.00 0.00 C ATOM 944 O GLY A 67 -3.412 -9.626 2.733 1.00 0.00 O ATOM 0 H GLY A 67 -3.133 -12.112 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.433 -12.228 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.735 -11.838 4.218 1.00 0.00 H new ATOM 948 N VAL A 68 -5.117 -9.863 4.182 1.00 0.00 N ATOM 949 CA VAL A 68 -5.564 -8.481 4.052 1.00 0.00 C ATOM 950 C VAL A 68 -4.786 -7.562 4.987 1.00 0.00 C ATOM 951 O VAL A 68 -4.903 -7.659 6.209 1.00 0.00 O ATOM 952 CB VAL A 68 -7.068 -8.347 4.353 1.00 0.00 C ATOM 953 CG1 VAL A 68 -7.546 -6.932 4.066 1.00 0.00 C ATOM 954 CG2 VAL A 68 -7.865 -9.362 3.547 1.00 0.00 C ATOM 0 H VAL A 68 -5.672 -10.427 4.825 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.380 -8.185 3.019 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.229 -8.551 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.611 -6.856 4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.996 -6.228 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.373 -6.696 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.926 -9.253 3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.700 -9.192 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.540 -10.369 3.808 1.00 0.00 H new ATOM 964 N HIS A 69 -3.991 -6.670 4.405 1.00 0.00 N ATOM 965 CA HIS A 69 -3.194 -5.731 5.186 1.00 0.00 C ATOM 966 C HIS A 69 -3.794 -4.329 5.129 1.00 0.00 C ATOM 967 O HIS A 69 -4.620 -4.030 4.266 1.00 0.00 O ATOM 968 CB HIS A 69 -1.754 -5.703 4.674 1.00 0.00 C ATOM 969 CG HIS A 69 -1.161 -7.064 4.478 1.00 0.00 C ATOM 970 ND1 HIS A 69 -1.687 -7.995 3.607 1.00 0.00 N ATOM 971 CD2 HIS A 69 -0.080 -7.649 5.044 1.00 0.00 C ATOM 972 CE1 HIS A 69 -0.956 -9.095 3.648 1.00 0.00 C ATOM 973 NE2 HIS A 69 0.026 -8.911 4.512 1.00 0.00 N ATOM 0 H HIS A 69 -3.882 -6.578 3.395 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.197 -6.066 6.223 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.724 -5.163 3.728 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.137 -5.145 5.379 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -2.511 -7.856 3.023 1.00 0.00 H new ATOM 0 HD2 HIS A 69 0.577 -7.206 5.778 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.132 -9.992 3.073 1.00 0.00 H new ATOM 982 N THR A 70 -3.374 -3.473 6.055 1.00 0.00 N ATOM 983 CA THR A 70 -3.872 -2.104 6.111 1.00 0.00 C ATOM 984 C THR A 70 -2.724 -1.106 6.214 1.00 0.00 C ATOM 985 O THR A 70 -1.868 -1.217 7.091 1.00 0.00 O ATOM 986 CB THR A 70 -4.822 -1.900 7.306 1.00 0.00 C ATOM 987 OG1 THR A 70 -5.545 -3.108 7.569 1.00 0.00 O ATOM 988 CG2 THR A 70 -5.800 -0.767 7.033 1.00 0.00 C ATOM 0 H THR A 70 -2.690 -3.703 6.776 1.00 0.00 H new ATOM 0 HA THR A 70 -4.421 -1.929 5.186 1.00 0.00 H new ATOM 0 HB THR A 70 -4.222 -1.639 8.178 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.145 -2.971 8.331 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.461 -0.642 7.891 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.248 0.157 6.862 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.393 -1.003 6.150 1.00 0.00 H new ATOM 996 N VAL A 71 -2.712 -0.130 5.311 1.00 0.00 N ATOM 997 CA VAL A 71 -1.670 0.890 5.301 1.00 0.00 C ATOM 998 C VAL A 71 -2.056 2.079 6.173 1.00 0.00 C ATOM 999 O VAL A 71 -2.942 2.858 5.820 1.00 0.00 O ATOM 1000 CB VAL A 71 -1.384 1.386 3.871 1.00 0.00 C ATOM 1001 CG1 VAL A 71 -0.160 2.288 3.854 1.00 0.00 C ATOM 1002 CG2 VAL A 71 -1.203 0.209 2.925 1.00 0.00 C ATOM 0 H VAL A 71 -3.412 -0.024 4.577 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.769 0.426 5.703 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.239 1.968 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.027 2.629 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.334 3.149 4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.706 1.733 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.002 0.578 1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.366 -0.403 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.112 -0.393 2.915 1.00 0.00 H new ATOM 1012 N SER A 72 -1.386 2.213 7.313 1.00 0.00 N ATOM 1013 CA SER A 72 -1.662 3.306 8.238 1.00 0.00 C ATOM 1014 C SER A 72 -0.835 4.539 7.883 1.00 0.00 C ATOM 1015 O SER A 72 0.384 4.553 8.052 1.00 0.00 O ATOM 1016 CB SER A 72 -1.363 2.874 9.675 1.00 0.00 C ATOM 1017 OG SER A 72 0.004 3.070 9.993 1.00 0.00 O ATOM 0 H SER A 72 -0.648 1.578 7.618 1.00 0.00 H new ATOM 0 HA SER A 72 -2.718 3.562 8.156 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.985 3.443 10.366 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.622 1.823 9.803 1.00 0.00 H new ATOM 0 HG SER A 72 0.520 3.174 9.167 1.00 0.00 H new ATOM 1023 N VAL A 73 -1.509 5.573 7.390 1.00 0.00 N ATOM 1024 CA VAL A 73 -0.839 6.812 7.012 1.00 0.00 C ATOM 1025 C VAL A 73 -1.388 7.996 7.799 1.00 0.00 C ATOM 1026 O VAL A 73 -2.427 8.558 7.453 1.00 0.00 O ATOM 1027 CB VAL A 73 -0.991 7.095 5.506 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -0.119 8.272 5.093 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -0.648 5.856 4.693 1.00 0.00 C ATOM 0 H VAL A 73 -2.518 5.577 7.243 1.00 0.00 H new ATOM 0 HA VAL A 73 0.218 6.684 7.245 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.030 7.356 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.239 8.457 4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.417 9.159 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.925 8.044 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.761 6.075 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.382 5.562 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.319 5.042 4.969 1.00 0.00 H new ATOM 1039 N LYS A 74 -0.683 8.372 8.861 1.00 0.00 N ATOM 1040 CA LYS A 74 -1.098 9.492 9.698 1.00 0.00 C ATOM 1041 C LYS A 74 -0.177 10.691 9.497 1.00 0.00 C ATOM 1042 O LYS A 74 0.996 10.536 9.158 1.00 0.00 O ATOM 1043 CB LYS A 74 -1.101 9.079 11.171 1.00 0.00 C ATOM 1044 CG LYS A 74 -2.395 8.418 11.615 1.00 0.00 C ATOM 1045 CD LYS A 74 -2.547 8.447 13.126 1.00 0.00 C ATOM 1046 CE LYS A 74 -4.010 8.472 13.539 1.00 0.00 C ATOM 1047 NZ LYS A 74 -4.177 8.262 15.004 1.00 0.00 N ATOM 0 H LYS A 74 0.179 7.917 9.163 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.108 9.779 9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.273 8.393 11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.923 9.960 11.787 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.241 8.927 11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.415 7.385 11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.061 7.572 13.558 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.040 9.325 13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.451 9.428 13.257 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.554 7.698 12.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.188 8.286 15.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.779 7.338 15.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.680 9.015 15.522 1.00 0.00 H new ATOM 1061 N TYR A 75 -0.716 11.887 9.710 1.00 0.00 N ATOM 1062 CA TYR A 75 0.057 13.113 9.551 1.00 0.00 C ATOM 1063 C TYR A 75 -0.201 14.073 10.709 1.00 0.00 C ATOM 1064 O TYR A 75 -1.322 14.542 10.903 1.00 0.00 O ATOM 1065 CB TYR A 75 -0.290 13.791 8.225 1.00 0.00 C ATOM 1066 CG TYR A 75 0.392 15.127 8.031 1.00 0.00 C ATOM 1067 CD1 TYR A 75 -0.137 16.286 8.586 1.00 0.00 C ATOM 1068 CD2 TYR A 75 1.565 15.229 7.295 1.00 0.00 C ATOM 1069 CE1 TYR A 75 0.483 17.508 8.411 1.00 0.00 C ATOM 1070 CE2 TYR A 75 2.193 16.447 7.116 1.00 0.00 C ATOM 1071 CZ TYR A 75 1.647 17.583 7.675 1.00 0.00 C ATOM 1072 OH TYR A 75 2.268 18.799 7.499 1.00 0.00 O ATOM 0 H TYR A 75 -1.685 12.033 9.993 1.00 0.00 H new ATOM 0 HA TYR A 75 1.114 12.849 9.550 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.013 13.129 7.405 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.369 13.932 8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.048 16.230 9.164 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.994 14.341 6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.059 18.400 8.848 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.106 16.509 6.542 1.00 0.00 H new ATOM 0 HH TYR A 75 3.076 18.678 6.958 1.00 0.00 H new ATOM 1082 N ARG A 76 0.847 14.360 11.475 1.00 0.00 N ATOM 1083 CA ARG A 76 0.736 15.263 12.614 1.00 0.00 C ATOM 1084 C ARG A 76 -0.367 14.806 13.565 1.00 0.00 C ATOM 1085 O ARG A 76 -1.043 15.624 14.187 1.00 0.00 O ATOM 1086 CB ARG A 76 0.453 16.689 12.136 1.00 0.00 C ATOM 1087 CG ARG A 76 1.595 17.303 11.343 1.00 0.00 C ATOM 1088 CD ARG A 76 2.568 18.040 12.249 1.00 0.00 C ATOM 1089 NE ARG A 76 3.545 17.138 12.852 1.00 0.00 N ATOM 1090 CZ ARG A 76 4.611 17.554 13.528 1.00 0.00 C ATOM 1091 NH1 ARG A 76 4.834 18.851 13.687 1.00 0.00 N ATOM 1092 NH2 ARG A 76 5.454 16.671 14.047 1.00 0.00 N ATOM 0 H ARG A 76 1.782 13.980 11.327 1.00 0.00 H new ATOM 0 HA ARG A 76 1.684 15.248 13.151 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.446 16.685 11.519 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.243 17.318 13.001 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.124 16.520 10.799 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.194 17.992 10.600 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.088 18.806 11.675 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.014 18.552 13.036 1.00 0.00 H new ATOM 0 HE ARG A 76 3.402 16.133 12.749 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.187 19.532 13.290 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.653 19.168 14.206 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.284 15.672 13.927 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.272 16.991 14.566 1.00 0.00 H new ATOM 1106 N GLY A 77 -0.542 13.492 13.672 1.00 0.00 N ATOM 1107 CA GLY A 77 -1.563 12.949 14.548 1.00 0.00 C ATOM 1108 C GLY A 77 -2.954 13.062 13.956 1.00 0.00 C ATOM 1109 O GLY A 77 -3.926 13.284 14.678 1.00 0.00 O ATOM 0 H GLY A 77 0.005 12.794 13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.342 11.901 14.752 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.534 13.473 15.503 1.00 0.00 H new ATOM 1113 N GLN A 78 -3.050 12.911 12.639 1.00 0.00 N ATOM 1114 CA GLN A 78 -4.333 13.000 11.952 1.00 0.00 C ATOM 1115 C GLN A 78 -4.303 12.221 10.641 1.00 0.00 C ATOM 1116 O GLN A 78 -3.620 12.608 9.692 1.00 0.00 O ATOM 1117 CB GLN A 78 -4.690 14.463 11.682 1.00 0.00 C ATOM 1118 CG GLN A 78 -4.996 15.257 12.941 1.00 0.00 C ATOM 1119 CD GLN A 78 -5.461 16.668 12.642 1.00 0.00 C ATOM 1120 OE1 GLN A 78 -4.701 17.627 12.781 1.00 0.00 O ATOM 1121 NE2 GLN A 78 -6.716 16.803 12.229 1.00 0.00 N ATOM 0 H GLN A 78 -2.255 12.727 12.027 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.094 12.561 12.597 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.863 14.939 11.155 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.555 14.501 11.019 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.765 14.739 13.515 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.104 15.297 13.566 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -7.311 15.981 12.128 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.085 17.729 12.013 1.00 0.00 H new ATOM 1130 N HIS A 79 -5.047 11.121 10.595 1.00 0.00 N ATOM 1131 CA HIS A 79 -5.106 10.287 9.400 1.00 0.00 C ATOM 1132 C HIS A 79 -5.304 11.141 8.151 1.00 0.00 C ATOM 1133 O HIS A 79 -6.017 12.144 8.179 1.00 0.00 O ATOM 1134 CB HIS A 79 -6.239 9.267 9.519 1.00 0.00 C ATOM 1135 CG HIS A 79 -5.834 8.000 10.208 1.00 0.00 C ATOM 1136 ND1 HIS A 79 -4.785 7.214 9.782 1.00 0.00 N ATOM 1137 CD2 HIS A 79 -6.343 7.385 11.301 1.00 0.00 C ATOM 1138 CE1 HIS A 79 -4.667 6.169 10.582 1.00 0.00 C ATOM 1139 NE2 HIS A 79 -5.601 6.249 11.512 1.00 0.00 N ATOM 0 H HIS A 79 -5.618 10.786 11.371 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.158 9.757 9.310 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.068 9.719 10.064 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -6.607 9.027 8.521 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.178 7.725 11.896 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.932 5.383 10.491 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -5.747 5.576 12.265 1.00 0.00 H new ATOM 1148 N VAL A 80 -4.668 10.736 7.056 1.00 0.00 N ATOM 1149 CA VAL A 80 -4.775 11.464 5.797 1.00 0.00 C ATOM 1150 C VAL A 80 -6.028 11.056 5.031 1.00 0.00 C ATOM 1151 O VAL A 80 -6.720 10.110 5.409 1.00 0.00 O ATOM 1152 CB VAL A 80 -3.541 11.227 4.906 1.00 0.00 C ATOM 1153 CG1 VAL A 80 -2.264 11.555 5.664 1.00 0.00 C ATOM 1154 CG2 VAL A 80 -3.517 9.793 4.399 1.00 0.00 C ATOM 0 H VAL A 80 -4.074 9.908 7.015 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.835 12.523 6.047 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.604 11.891 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.403 11.381 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.282 12.600 5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.191 10.918 6.546 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -2.638 9.644 3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.478 9.108 5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.417 9.598 3.816 1.00 0.00 H new ATOM 1164 N THR A 81 -6.314 11.774 3.949 1.00 0.00 N ATOM 1165 CA THR A 81 -7.484 11.488 3.129 1.00 0.00 C ATOM 1166 C THR A 81 -7.449 10.058 2.601 1.00 0.00 C ATOM 1167 O THR A 81 -6.532 9.677 1.873 1.00 0.00 O ATOM 1168 CB THR A 81 -7.588 12.460 1.939 1.00 0.00 C ATOM 1169 OG1 THR A 81 -7.610 13.812 2.411 1.00 0.00 O ATOM 1170 CG2 THR A 81 -8.840 12.183 1.121 1.00 0.00 C ATOM 0 H THR A 81 -5.751 12.558 3.621 1.00 0.00 H new ATOM 0 HA THR A 81 -8.357 11.615 3.769 1.00 0.00 H new ATOM 0 HB THR A 81 -6.717 12.312 1.301 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.675 14.424 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.891 12.882 0.286 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.806 11.163 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.721 12.305 1.751 1.00 0.00 H new ATOM 1178 N GLY A 82 -8.453 9.270 2.972 1.00 0.00 N ATOM 1179 CA GLY A 82 -8.517 7.890 2.525 1.00 0.00 C ATOM 1180 C GLY A 82 -7.926 6.926 3.534 1.00 0.00 C ATOM 1181 O GLY A 82 -8.516 5.887 3.830 1.00 0.00 O ATOM 0 H GLY A 82 -9.223 9.562 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.556 7.621 2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.984 7.793 1.579 1.00 0.00 H new ATOM 1185 N SER A 83 -6.756 7.269 4.064 1.00 0.00 N ATOM 1186 CA SER A 83 -6.082 6.424 5.042 1.00 0.00 C ATOM 1187 C SER A 83 -6.934 6.259 6.297 1.00 0.00 C ATOM 1188 O SER A 83 -7.661 7.163 6.708 1.00 0.00 O ATOM 1189 CB SER A 83 -4.721 7.018 5.410 1.00 0.00 C ATOM 1190 OG SER A 83 -4.197 6.408 6.577 1.00 0.00 O ATOM 0 H SER A 83 -6.255 8.127 3.832 1.00 0.00 H new ATOM 0 HA SER A 83 -5.932 5.442 4.594 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.026 6.883 4.582 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.821 8.092 5.570 1.00 0.00 H new ATOM 0 HG SER A 83 -3.675 7.065 7.083 1.00 0.00 H new ATOM 1196 N PRO A 84 -6.844 5.075 6.921 1.00 0.00 N ATOM 1197 CA PRO A 84 -5.983 3.990 6.440 1.00 0.00 C ATOM 1198 C PRO A 84 -6.493 3.377 5.141 1.00 0.00 C ATOM 1199 O PRO A 84 -7.682 3.455 4.831 1.00 0.00 O ATOM 1200 CB PRO A 84 -6.039 2.964 7.574 1.00 0.00 C ATOM 1201 CG PRO A 84 -7.337 3.223 8.256 1.00 0.00 C ATOM 1202 CD PRO A 84 -7.576 4.704 8.143 1.00 0.00 C ATOM 0 HA PRO A 84 -4.976 4.340 6.212 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.991 1.945 7.189 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.200 3.086 8.260 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.144 2.661 7.786 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.298 2.913 9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.638 4.935 8.061 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.200 5.239 9.015 1.00 0.00 H new ATOM 1210 N PHE A 85 -5.588 2.766 4.384 1.00 0.00 N ATOM 1211 CA PHE A 85 -5.947 2.140 3.117 1.00 0.00 C ATOM 1212 C PHE A 85 -5.917 0.619 3.235 1.00 0.00 C ATOM 1213 O PHE A 85 -4.854 0.020 3.395 1.00 0.00 O ATOM 1214 CB PHE A 85 -4.995 2.596 2.010 1.00 0.00 C ATOM 1215 CG PHE A 85 -5.014 4.079 1.776 1.00 0.00 C ATOM 1216 CD1 PHE A 85 -6.012 4.660 1.009 1.00 0.00 C ATOM 1217 CD2 PHE A 85 -4.035 4.893 2.323 1.00 0.00 C ATOM 1218 CE1 PHE A 85 -6.031 6.024 0.792 1.00 0.00 C ATOM 1219 CE2 PHE A 85 -4.050 6.259 2.109 1.00 0.00 C ATOM 1220 CZ PHE A 85 -5.050 6.825 1.343 1.00 0.00 C ATOM 0 H PHE A 85 -4.600 2.691 4.626 1.00 0.00 H new ATOM 0 HA PHE A 85 -6.961 2.448 2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.981 2.290 2.265 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.258 2.087 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.783 4.039 0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.251 4.455 2.923 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.813 6.464 0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.281 6.882 2.540 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.065 7.892 1.175 1.00 0.00 H new ATOM 1230 N GLN A 86 -7.091 0.001 3.155 1.00 0.00 N ATOM 1231 CA GLN A 86 -7.200 -1.449 3.254 1.00 0.00 C ATOM 1232 C GLN A 86 -7.142 -2.095 1.873 1.00 0.00 C ATOM 1233 O GLN A 86 -7.787 -1.631 0.933 1.00 0.00 O ATOM 1234 CB GLN A 86 -8.501 -1.838 3.958 1.00 0.00 C ATOM 1235 CG GLN A 86 -8.412 -3.150 4.720 1.00 0.00 C ATOM 1236 CD GLN A 86 -9.741 -3.875 4.793 1.00 0.00 C ATOM 1237 OE1 GLN A 86 -10.047 -4.721 3.952 1.00 0.00 O ATOM 1238 NE2 GLN A 86 -10.541 -3.545 5.800 1.00 0.00 N ATOM 0 H GLN A 86 -7.980 0.482 3.022 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.356 -1.812 3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.781 -1.044 4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.297 -1.911 3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.677 -3.795 4.240 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.053 -2.955 5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.247 -2.838 6.474 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.449 -3.998 5.899 1.00 0.00 H new ATOM 1247 N PHE A 87 -6.366 -3.167 1.759 1.00 0.00 N ATOM 1248 CA PHE A 87 -6.224 -3.876 0.493 1.00 0.00 C ATOM 1249 C PHE A 87 -6.052 -5.375 0.724 1.00 0.00 C ATOM 1250 O PHE A 87 -5.324 -5.797 1.624 1.00 0.00 O ATOM 1251 CB PHE A 87 -5.028 -3.330 -0.291 1.00 0.00 C ATOM 1252 CG PHE A 87 -3.705 -3.613 0.360 1.00 0.00 C ATOM 1253 CD1 PHE A 87 -3.136 -4.874 0.282 1.00 0.00 C ATOM 1254 CD2 PHE A 87 -3.029 -2.619 1.049 1.00 0.00 C ATOM 1255 CE1 PHE A 87 -1.918 -5.138 0.881 1.00 0.00 C ATOM 1256 CE2 PHE A 87 -1.811 -2.877 1.650 1.00 0.00 C ATOM 1257 CZ PHE A 87 -1.255 -4.138 1.565 1.00 0.00 C ATOM 0 H PHE A 87 -5.826 -3.564 2.528 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.133 -3.717 -0.086 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.032 -3.763 -1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.143 -2.253 -0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.650 -5.659 -0.253 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -3.459 -1.631 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.486 -6.125 0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.295 -2.093 2.185 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.303 -4.342 2.033 1.00 0.00 H new ATOM 1267 N THR A 88 -6.728 -6.176 -0.094 1.00 0.00 N ATOM 1268 CA THR A 88 -6.652 -7.626 0.022 1.00 0.00 C ATOM 1269 C THR A 88 -5.721 -8.214 -1.032 1.00 0.00 C ATOM 1270 O THR A 88 -5.747 -7.807 -2.194 1.00 0.00 O ATOM 1271 CB THR A 88 -8.043 -8.274 -0.118 1.00 0.00 C ATOM 1272 OG1 THR A 88 -8.962 -7.664 0.795 1.00 0.00 O ATOM 1273 CG2 THR A 88 -7.972 -9.770 0.149 1.00 0.00 C ATOM 0 H THR A 88 -7.334 -5.844 -0.844 1.00 0.00 H new ATOM 0 HA THR A 88 -6.256 -7.844 1.014 1.00 0.00 H new ATOM 0 HB THR A 88 -8.391 -8.119 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.844 -8.080 0.698 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.966 -10.206 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.294 -10.236 -0.567 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.605 -9.942 1.161 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.900 -9.175 -0.621 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.962 -9.821 -1.531 1.00 0.00 C ATOM 1283 C VAL A 89 -4.424 -11.229 -1.889 1.00 0.00 C ATOM 1284 O VAL A 89 -4.732 -12.034 -1.012 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.549 -9.895 -0.921 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -1.590 -10.586 -1.878 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -2.049 -8.504 -0.564 1.00 0.00 C ATOM 0 H VAL A 89 -4.866 -9.524 0.337 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.928 -9.213 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.598 -10.484 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.597 -10.629 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.942 -11.598 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.543 -10.027 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.050 -8.576 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.014 -7.888 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.724 -8.050 0.161 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.469 -11.519 -3.186 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.895 -12.831 -3.638 1.00 0.00 C ATOM 1299 C GLY A 90 -3.730 -13.704 -4.061 1.00 0.00 C ATOM 1300 O GLY A 90 -2.590 -13.500 -3.644 1.00 0.00 O ATOM 0 H GLY A 90 -4.218 -10.869 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.445 -13.327 -2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.583 -12.718 -4.476 1.00 0.00 H new ATOM 1304 N PRO A 91 -4.013 -14.704 -4.908 1.00 0.00 N ATOM 1305 CA PRO A 91 -2.994 -15.633 -5.406 1.00 0.00 C ATOM 1306 C PRO A 91 -2.020 -14.962 -6.369 1.00 0.00 C ATOM 1307 O PRO A 91 -2.425 -14.196 -7.244 1.00 0.00 O ATOM 1308 CB PRO A 91 -3.813 -16.703 -6.132 1.00 0.00 C ATOM 1309 CG PRO A 91 -5.072 -16.012 -6.529 1.00 0.00 C ATOM 1310 CD PRO A 91 -5.350 -15.006 -5.446 1.00 0.00 C ATOM 0 HA PRO A 91 -2.373 -16.026 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.280 -17.086 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.017 -17.554 -5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.961 -15.523 -7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.894 -16.722 -6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.835 -14.113 -5.842 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.009 -15.413 -4.679 1.00 0.00 H new ATOM 1318 N LEU A 92 -0.735 -15.255 -6.202 1.00 0.00 N ATOM 1319 CA LEU A 92 0.298 -14.681 -7.058 1.00 0.00 C ATOM 1320 C LEU A 92 -0.099 -14.773 -8.527 1.00 0.00 C ATOM 1321 O LEU A 92 -0.276 -13.757 -9.198 1.00 0.00 O ATOM 1322 CB LEU A 92 1.631 -15.396 -6.832 1.00 0.00 C ATOM 1323 CG LEU A 92 2.665 -15.256 -7.949 1.00 0.00 C ATOM 1324 CD1 LEU A 92 3.368 -13.910 -7.861 1.00 0.00 C ATOM 1325 CD2 LEU A 92 3.676 -16.392 -7.885 1.00 0.00 C ATOM 0 H LEU A 92 -0.383 -15.886 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 92 0.409 -13.629 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.070 -15.020 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.430 -16.457 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 92 2.146 -15.310 -8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.100 -13.829 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.634 -13.109 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.874 -13.826 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 92 4.405 -16.276 -8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.189 -16.369 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.160 -17.345 -7.998 1.00 0.00 H new