USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 720 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 52 ASN :FLIP amide:sc= -3.27 F(o=-4.1!,f=-3.3) USER MOD Set 1.2: A 66 GLN : amide:sc= 0 X(o=-3.3,f=-3.3) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -169:sc=-0.00444 (180deg=0) USER MOD Set 2.2: A 70 GLN : amide:sc= -11.4! C(o=-11!,f=-23!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.111 K(o=0.11,f=-2.9!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.17 K(o=-1.2,f=-5.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 39:sc= 0.0568 USER MOD Single : A 47 TYR OH : rot 171:sc= 0.0435 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS :FLIP no HD1:sc= -3.45 F(o=-4!,f=-3.5) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= -0.067 (180deg=-1.38!) USER MOD Single : A 68 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=-0.012) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00435 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.0521 F(o=-1.2,f=-0.052) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 152:sc= 0.32 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00029 USER MOD Single : A 89 SER OG : rot -144:sc= 1.99 USER MOD Single : A 90 SER OG : rot 180:sc= 0.00685 USER MOD Single : A 92 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.1!) USER MOD Single : A 100 ASN : amide:sc= -1.97 K(o=-2,f=-6.2!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.716 2.792 7.993 1.00 0.00 N ATOM 119 CA VAL A 11 -20.088 2.659 6.684 1.00 0.00 C ATOM 120 C VAL A 11 -19.965 1.194 6.280 1.00 0.00 C ATOM 121 O VAL A 11 -20.123 0.295 7.107 1.00 0.00 O ATOM 122 CB VAL A 11 -18.690 3.305 6.663 1.00 0.00 C ATOM 123 CG1 VAL A 11 -18.775 4.773 7.052 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.743 2.554 7.586 1.00 0.00 C ATOM 0 HA VAL A 11 -20.730 3.177 5.971 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.295 3.245 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -17.778 5.213 7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.418 5.300 6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.190 4.860 8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.760 3.024 7.559 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.130 2.581 8.605 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.659 1.518 7.257 1.00 0.00 H new ATOM 134 N LYS A 12 -19.681 0.959 5.004 1.00 0.00 N ATOM 135 CA LYS A 12 -19.534 -0.397 4.488 1.00 0.00 C ATOM 136 C LYS A 12 -18.114 -0.909 4.702 1.00 0.00 C ATOM 137 O LYS A 12 -17.143 -0.228 4.373 1.00 0.00 O ATOM 138 CB LYS A 12 -19.884 -0.439 2.999 1.00 0.00 C ATOM 139 CG LYS A 12 -21.367 -0.622 2.728 1.00 0.00 C ATOM 140 CD LYS A 12 -21.676 -0.544 1.242 1.00 0.00 C ATOM 141 CE LYS A 12 -21.485 -1.891 0.561 1.00 0.00 C ATOM 142 NZ LYS A 12 -21.681 -1.800 -0.912 1.00 0.00 N ATOM 0 H LYS A 12 -19.548 1.691 4.307 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.221 -1.043 5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.549 0.486 2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.334 -1.254 2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.693 -1.586 3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.932 0.144 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.702 -0.206 1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.028 0.197 0.773 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.483 -2.266 0.772 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.189 -2.612 0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.542 -2.738 -1.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.645 -1.467 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.993 -1.132 -1.313 1.00 0.00 H new ATOM 156 N GLU A 13 -18.001 -2.113 5.255 1.00 0.00 N ATOM 157 CA GLU A 13 -16.698 -2.716 5.511 1.00 0.00 C ATOM 158 C GLU A 13 -16.104 -3.293 4.230 1.00 0.00 C ATOM 159 O GLU A 13 -16.625 -4.259 3.670 1.00 0.00 O ATOM 160 CB GLU A 13 -16.819 -3.813 6.570 1.00 0.00 C ATOM 161 CG GLU A 13 -17.895 -4.841 6.262 1.00 0.00 C ATOM 162 CD GLU A 13 -17.953 -5.952 7.293 1.00 0.00 C ATOM 163 OE1 GLU A 13 -18.437 -5.695 8.415 1.00 0.00 O ATOM 164 OE2 GLU A 13 -17.514 -7.078 6.978 1.00 0.00 O ATOM 0 H GLU A 13 -18.795 -2.689 5.534 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.032 -1.936 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.860 -4.321 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.033 -3.353 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.864 -4.344 6.214 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.709 -5.272 5.278 1.00 0.00 H new ATOM 171 N LEU A 14 -15.010 -2.696 3.770 1.00 0.00 N ATOM 172 CA LEU A 14 -14.344 -3.149 2.554 1.00 0.00 C ATOM 173 C LEU A 14 -13.102 -3.970 2.887 1.00 0.00 C ATOM 174 O LEU A 14 -12.408 -3.697 3.867 1.00 0.00 O ATOM 175 CB LEU A 14 -13.959 -1.952 1.683 1.00 0.00 C ATOM 176 CG LEU A 14 -15.010 -0.849 1.556 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.351 0.479 1.217 1.00 0.00 C ATOM 178 CD2 LEU A 14 -16.045 -1.217 0.503 1.00 0.00 C ATOM 0 H LEU A 14 -14.565 -1.897 4.221 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.039 -3.782 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.047 -1.512 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.721 -2.317 0.684 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.518 -0.745 2.515 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.114 1.252 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.649 0.749 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.817 0.389 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.785 -0.420 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.553 -1.349 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.540 -2.146 0.788 1.00 0.00 H new ATOM 190 N THR A 15 -12.827 -4.978 2.065 1.00 0.00 N ATOM 191 CA THR A 15 -11.669 -5.839 2.271 1.00 0.00 C ATOM 192 C THR A 15 -10.493 -5.394 1.410 1.00 0.00 C ATOM 193 O THR A 15 -10.435 -5.695 0.217 1.00 0.00 O ATOM 194 CB THR A 15 -11.998 -7.309 1.951 1.00 0.00 C ATOM 195 OG1 THR A 15 -13.158 -7.722 2.682 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.825 -8.214 2.298 1.00 0.00 C ATOM 0 H THR A 15 -13.391 -5.218 1.250 1.00 0.00 H new ATOM 0 HA THR A 15 -11.397 -5.756 3.323 1.00 0.00 H new ATOM 0 HB THR A 15 -12.195 -7.390 0.882 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.361 -8.657 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.081 -9.247 2.063 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.951 -7.916 1.718 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.601 -8.128 3.361 1.00 0.00 H new ATOM 204 N VAL A 16 -9.556 -4.675 2.020 1.00 0.00 N ATOM 205 CA VAL A 16 -8.380 -4.190 1.309 1.00 0.00 C ATOM 206 C VAL A 16 -7.213 -5.161 1.451 1.00 0.00 C ATOM 207 O VAL A 16 -6.983 -5.719 2.523 1.00 0.00 O ATOM 208 CB VAL A 16 -7.945 -2.804 1.822 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.683 -2.343 1.111 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.068 -1.794 1.642 1.00 0.00 C ATOM 0 H VAL A 16 -9.589 -4.416 3.006 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.657 -4.110 0.258 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.724 -2.882 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.391 -1.362 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.880 -3.056 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.872 -2.280 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.744 -0.820 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.322 -1.717 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.944 -2.120 2.203 1.00 0.00 H new ATOM 220 N SER A 17 -6.478 -5.357 0.361 1.00 0.00 N ATOM 221 CA SER A 17 -5.335 -6.264 0.362 1.00 0.00 C ATOM 222 C SER A 17 -4.245 -5.764 -0.580 1.00 0.00 C ATOM 223 O SER A 17 -4.500 -5.486 -1.752 1.00 0.00 O ATOM 224 CB SER A 17 -5.774 -7.671 -0.047 1.00 0.00 C ATOM 225 OG SER A 17 -4.712 -8.598 0.096 1.00 0.00 O ATOM 0 H SER A 17 -6.653 -4.900 -0.534 1.00 0.00 H new ATOM 0 HA SER A 17 -4.929 -6.298 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.619 -7.984 0.566 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.116 -7.662 -1.082 1.00 0.00 H new ATOM 0 HG SER A 17 -5.018 -9.490 -0.170 1.00 0.00 H new ATOM 231 N ALA A 18 -3.027 -5.653 -0.060 1.00 0.00 N ATOM 232 CA ALA A 18 -1.896 -5.189 -0.854 1.00 0.00 C ATOM 233 C ALA A 18 -1.308 -6.323 -1.687 1.00 0.00 C ATOM 234 O ALA A 18 -0.917 -6.124 -2.836 1.00 0.00 O ATOM 235 CB ALA A 18 -0.829 -4.587 0.049 1.00 0.00 C ATOM 0 H ALA A 18 -2.798 -5.878 0.908 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.255 -4.419 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.010 -4.245 -0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.249 -3.743 0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.482 -5.341 0.755 1.00 0.00 H new ATOM 241 N GLY A 19 -1.249 -7.514 -1.099 1.00 0.00 N ATOM 242 CA GLY A 19 -0.706 -8.662 -1.801 1.00 0.00 C ATOM 243 C GLY A 19 0.019 -9.619 -0.876 1.00 0.00 C ATOM 244 O GLY A 19 -0.535 -10.640 -0.468 1.00 0.00 O ATOM 0 H GLY A 19 -1.568 -7.704 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.515 -9.191 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.019 -8.319 -2.575 1.00 0.00 H new ATOM 248 N ASP A 20 1.263 -9.290 -0.545 1.00 0.00 N ATOM 249 CA ASP A 20 2.066 -10.128 0.338 1.00 0.00 C ATOM 250 C ASP A 20 3.405 -9.465 0.647 1.00 0.00 C ATOM 251 O ASP A 20 3.766 -8.460 0.037 1.00 0.00 O ATOM 252 CB ASP A 20 2.296 -11.500 -0.296 1.00 0.00 C ATOM 253 CG ASP A 20 2.918 -12.489 0.671 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.452 -12.560 1.827 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.871 -13.190 0.271 1.00 0.00 O ATOM 0 H ASP A 20 1.737 -8.449 -0.875 1.00 0.00 H new ATOM 0 HA ASP A 20 1.520 -10.256 1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.345 -11.895 -0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.944 -11.391 -1.166 1.00 0.00 H new ATOM 260 N ASN A 21 4.137 -10.036 1.598 1.00 0.00 N ATOM 261 CA ASN A 21 5.435 -9.500 1.989 1.00 0.00 C ATOM 262 C ASN A 21 6.396 -9.482 0.804 1.00 0.00 C ATOM 263 O ASN A 21 6.563 -10.486 0.111 1.00 0.00 O ATOM 264 CB ASN A 21 6.030 -10.328 3.129 1.00 0.00 C ATOM 265 CG ASN A 21 6.016 -11.815 2.832 1.00 0.00 C ATOM 266 OD1 ASN A 21 4.966 -12.458 2.871 1.00 0.00 O ATOM 267 ND2 ASN A 21 7.185 -12.370 2.533 1.00 0.00 N ATOM 0 H ASN A 21 3.853 -10.870 2.112 1.00 0.00 H new ATOM 0 HA ASN A 21 5.288 -8.475 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.055 -10.006 3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.469 -10.138 4.044 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.238 -13.367 2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.030 -11.799 2.512 1.00 0.00 H new ATOM 274 N LEU A 22 7.025 -8.334 0.577 1.00 0.00 N ATOM 275 CA LEU A 22 7.970 -8.184 -0.525 1.00 0.00 C ATOM 276 C LEU A 22 9.392 -8.011 -0.002 1.00 0.00 C ATOM 277 O LEU A 22 9.625 -7.278 0.960 1.00 0.00 O ATOM 278 CB LEU A 22 7.584 -6.986 -1.394 1.00 0.00 C ATOM 279 CG LEU A 22 6.126 -6.931 -1.852 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.633 -8.319 -2.230 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.248 -6.328 -0.766 1.00 0.00 C ATOM 0 H LEU A 22 6.898 -7.494 1.141 1.00 0.00 H new ATOM 0 HA LEU A 22 7.933 -9.090 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.804 -6.074 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.222 -6.983 -2.278 1.00 0.00 H new ATOM 0 HG LEU A 22 6.066 -6.294 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.594 -8.260 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.244 -8.714 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.707 -8.979 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.214 -6.297 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.313 -6.938 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.587 -5.316 -0.544 1.00 0.00 H new ATOM 293 N ILE A 23 10.339 -8.688 -0.643 1.00 0.00 N ATOM 294 CA ILE A 23 11.738 -8.606 -0.244 1.00 0.00 C ATOM 295 C ILE A 23 12.633 -8.291 -1.439 1.00 0.00 C ATOM 296 O ILE A 23 12.558 -8.953 -2.474 1.00 0.00 O ATOM 297 CB ILE A 23 12.216 -9.916 0.409 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.388 -10.220 1.659 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.695 -9.828 0.755 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.568 -11.631 2.175 1.00 0.00 C ATOM 0 H ILE A 23 10.163 -9.299 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 23 11.811 -7.799 0.485 1.00 0.00 H new ATOM 0 HB ILE A 23 12.078 -10.730 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.661 -9.517 2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.334 -10.055 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 23 14.017 -10.762 1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.271 -9.654 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.857 -9.005 1.451 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.951 -11.775 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.267 -12.341 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.615 -11.794 2.430 1.00 0.00 H new ATOM 312 N ILE A 24 13.478 -7.277 -1.287 1.00 0.00 N ATOM 313 CA ILE A 24 14.389 -6.876 -2.352 1.00 0.00 C ATOM 314 C ILE A 24 15.841 -6.958 -1.893 1.00 0.00 C ATOM 315 O ILE A 24 16.124 -6.999 -0.696 1.00 0.00 O ATOM 316 CB ILE A 24 14.094 -5.444 -2.835 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.587 -4.585 -1.675 1.00 0.00 C ATOM 318 CG2 ILE A 24 13.080 -5.465 -3.969 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.044 -3.242 -2.109 1.00 0.00 C ATOM 0 H ILE A 24 13.551 -6.718 -0.437 1.00 0.00 H new ATOM 0 HA ILE A 24 14.233 -7.569 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 24 15.019 -5.005 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.806 -5.130 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.401 -4.427 -0.968 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.882 -4.445 -4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.477 -6.045 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.153 -5.920 -3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.703 -2.688 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.829 -2.678 -2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.208 -3.391 -2.793 1.00 0.00 H new ATOM 331 N THR A 25 16.759 -6.979 -2.855 1.00 0.00 N ATOM 332 CA THR A 25 18.182 -7.055 -2.550 1.00 0.00 C ATOM 333 C THR A 25 18.965 -5.991 -3.312 1.00 0.00 C ATOM 334 O THR A 25 18.852 -5.879 -4.533 1.00 0.00 O ATOM 335 CB THR A 25 18.757 -8.443 -2.894 1.00 0.00 C ATOM 336 OG1 THR A 25 18.024 -9.461 -2.203 1.00 0.00 O ATOM 337 CG2 THR A 25 20.228 -8.527 -2.518 1.00 0.00 C ATOM 0 H THR A 25 16.542 -6.944 -3.851 1.00 0.00 H new ATOM 0 HA THR A 25 18.285 -6.882 -1.479 1.00 0.00 H new ATOM 0 HB THR A 25 18.664 -8.595 -3.969 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.394 -10.340 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.612 -9.515 -2.770 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.788 -7.770 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.340 -8.356 -1.447 1.00 0.00 H new ATOM 345 N LEU A 26 19.758 -5.213 -2.584 1.00 0.00 N ATOM 346 CA LEU A 26 20.561 -4.158 -3.192 1.00 0.00 C ATOM 347 C LEU A 26 21.339 -4.688 -4.392 1.00 0.00 C ATOM 348 O LEU A 26 21.628 -5.880 -4.498 1.00 0.00 O ATOM 349 CB LEU A 26 21.527 -3.568 -2.162 1.00 0.00 C ATOM 350 CG LEU A 26 20.913 -2.624 -1.129 1.00 0.00 C ATOM 351 CD1 LEU A 26 22.000 -1.975 -0.287 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.062 -1.564 -1.814 1.00 0.00 C ATOM 0 H LEU A 26 19.862 -5.293 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 26 19.886 -3.375 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.008 -4.390 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.311 -3.030 -2.695 1.00 0.00 H new ATOM 0 HG LEU A 26 20.270 -3.207 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.544 -1.306 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.567 -2.747 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.669 -1.406 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.633 -0.901 -1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.683 -0.985 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.260 -2.046 -2.373 1.00 0.00 H new ATOM 364 N PRO A 27 21.690 -3.782 -5.317 1.00 0.00 N ATOM 365 CA PRO A 27 21.352 -2.360 -5.201 1.00 0.00 C ATOM 366 C PRO A 27 19.858 -2.104 -5.374 1.00 0.00 C ATOM 367 O PRO A 27 19.332 -1.098 -4.897 1.00 0.00 O ATOM 368 CB PRO A 27 22.141 -1.714 -6.342 1.00 0.00 C ATOM 369 CG PRO A 27 22.326 -2.804 -7.340 1.00 0.00 C ATOM 370 CD PRO A 27 22.443 -4.076 -6.547 1.00 0.00 C ATOM 0 HA PRO A 27 21.597 -1.961 -4.216 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.598 -0.872 -6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 27 23.100 -1.330 -5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.482 -2.850 -8.029 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.220 -2.635 -7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 27 22.020 -4.925 -7.084 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.483 -4.321 -6.332 1.00 0.00 H new ATOM 378 N ASP A 28 19.181 -3.019 -6.059 1.00 0.00 N ATOM 379 CA ASP A 28 17.748 -2.892 -6.294 1.00 0.00 C ATOM 380 C ASP A 28 17.030 -2.421 -5.033 1.00 0.00 C ATOM 381 O ASP A 28 16.849 -3.187 -4.088 1.00 0.00 O ATOM 382 CB ASP A 28 17.165 -4.228 -6.759 1.00 0.00 C ATOM 383 CG ASP A 28 17.556 -4.566 -8.184 1.00 0.00 C ATOM 384 OD1 ASP A 28 17.304 -3.734 -9.081 1.00 0.00 O ATOM 385 OD2 ASP A 28 18.114 -5.661 -8.402 1.00 0.00 O ATOM 0 H ASP A 28 19.602 -3.857 -6.461 1.00 0.00 H new ATOM 0 HA ASP A 28 17.598 -2.147 -7.076 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.506 -5.021 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.078 -4.193 -6.682 1.00 0.00 H new ATOM 390 N ASN A 29 16.625 -1.155 -5.027 1.00 0.00 N ATOM 391 CA ASN A 29 15.928 -0.582 -3.881 1.00 0.00 C ATOM 392 C ASN A 29 14.589 0.016 -4.302 1.00 0.00 C ATOM 393 O ASN A 29 14.138 1.012 -3.737 1.00 0.00 O ATOM 394 CB ASN A 29 16.793 0.492 -3.218 1.00 0.00 C ATOM 395 CG ASN A 29 17.143 1.621 -4.168 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.390 1.925 -5.093 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.292 2.247 -3.945 1.00 0.00 N ATOM 0 H ASN A 29 16.767 -0.507 -5.802 1.00 0.00 H new ATOM 0 HA ASN A 29 15.739 -1.381 -3.164 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.265 0.898 -2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.711 0.037 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.581 3.013 -4.553 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.885 1.962 -3.166 1.00 0.00 H new ATOM 404 N GLU A 30 13.959 -0.600 -5.297 1.00 0.00 N ATOM 405 CA GLU A 30 12.671 -0.129 -5.793 1.00 0.00 C ATOM 406 C GLU A 30 11.639 -1.253 -5.783 1.00 0.00 C ATOM 407 O GLU A 30 11.936 -2.387 -6.160 1.00 0.00 O ATOM 408 CB GLU A 30 12.819 0.430 -7.210 1.00 0.00 C ATOM 409 CG GLU A 30 13.962 1.420 -7.358 1.00 0.00 C ATOM 410 CD GLU A 30 14.053 2.001 -8.756 1.00 0.00 C ATOM 411 OE1 GLU A 30 14.335 1.235 -9.700 1.00 0.00 O ATOM 412 OE2 GLU A 30 13.842 3.223 -8.904 1.00 0.00 O ATOM 0 H GLU A 30 14.319 -1.426 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 30 12.324 0.664 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.974 -0.397 -7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.888 0.918 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.832 2.230 -6.640 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.901 0.924 -7.113 1.00 0.00 H new ATOM 419 N VAL A 31 10.425 -0.930 -5.348 1.00 0.00 N ATOM 420 CA VAL A 31 9.349 -1.911 -5.288 1.00 0.00 C ATOM 421 C VAL A 31 8.003 -1.270 -5.609 1.00 0.00 C ATOM 422 O VAL A 31 7.703 -0.169 -5.148 1.00 0.00 O ATOM 423 CB VAL A 31 9.271 -2.575 -3.901 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.413 -1.534 -2.801 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.967 -3.345 -3.752 1.00 0.00 C ATOM 0 H VAL A 31 10.163 0.004 -5.032 1.00 0.00 H new ATOM 0 HA VAL A 31 9.573 -2.673 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 31 10.096 -3.281 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.355 -2.022 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.375 -1.031 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.610 -0.802 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.928 -3.808 -2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.126 -2.661 -3.865 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.911 -4.118 -4.518 1.00 0.00 H new ATOM 435 N GLU A 32 7.196 -1.967 -6.402 1.00 0.00 N ATOM 436 CA GLU A 32 5.881 -1.465 -6.785 1.00 0.00 C ATOM 437 C GLU A 32 4.774 -2.261 -6.100 1.00 0.00 C ATOM 438 O GLU A 32 4.554 -3.433 -6.409 1.00 0.00 O ATOM 439 CB GLU A 32 5.707 -1.532 -8.304 1.00 0.00 C ATOM 440 CG GLU A 32 4.278 -1.296 -8.764 1.00 0.00 C ATOM 441 CD GLU A 32 4.195 -0.892 -10.223 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.205 -0.391 -10.759 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.118 -1.077 -10.828 1.00 0.00 O ATOM 0 H GLU A 32 7.429 -2.880 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 32 5.810 -0.426 -6.464 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.357 -0.790 -8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.036 -2.510 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.695 -2.204 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.826 -0.518 -8.149 1.00 0.00 H new ATOM 450 N LEU A 33 4.081 -1.617 -5.167 1.00 0.00 N ATOM 451 CA LEU A 33 2.996 -2.264 -4.437 1.00 0.00 C ATOM 452 C LEU A 33 1.651 -1.986 -5.100 1.00 0.00 C ATOM 453 O LEU A 33 1.463 -0.948 -5.735 1.00 0.00 O ATOM 454 CB LEU A 33 2.973 -1.780 -2.986 1.00 0.00 C ATOM 455 CG LEU A 33 4.305 -1.836 -2.238 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.365 -0.752 -1.172 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.509 -3.210 -1.616 1.00 0.00 C ATOM 0 H LEU A 33 4.251 -0.648 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 33 3.171 -3.340 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.615 -0.750 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.245 -2.377 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 33 5.109 -1.659 -2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.320 -0.807 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.265 0.226 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.553 -0.897 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.462 -3.232 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.700 -3.416 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.511 -3.968 -2.400 1.00 0.00 H new ATOM 469 N LYS A 34 0.717 -2.918 -4.946 1.00 0.00 N ATOM 470 CA LYS A 34 -0.612 -2.773 -5.526 1.00 0.00 C ATOM 471 C LYS A 34 -1.693 -3.048 -4.486 1.00 0.00 C ATOM 472 O LYS A 34 -1.592 -3.997 -3.708 1.00 0.00 O ATOM 473 CB LYS A 34 -0.779 -3.723 -6.714 1.00 0.00 C ATOM 474 CG LYS A 34 -1.911 -3.334 -7.650 1.00 0.00 C ATOM 475 CD LYS A 34 -2.254 -4.462 -8.609 1.00 0.00 C ATOM 476 CE LYS A 34 -3.329 -4.043 -9.600 1.00 0.00 C ATOM 477 NZ LYS A 34 -2.746 -3.405 -10.813 1.00 0.00 N ATOM 0 H LYS A 34 0.856 -3.783 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.719 -1.745 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.153 -3.753 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.958 -4.731 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.793 -3.071 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.627 -2.447 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.358 -4.767 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.596 -5.330 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.913 -4.916 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.016 -3.347 -9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.505 -2.968 -11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.063 -2.675 -10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.262 -4.126 -11.386 1.00 0.00 H new ATOM 491 N ALA A 35 -2.727 -2.214 -4.478 1.00 0.00 N ATOM 492 CA ALA A 35 -3.828 -2.370 -3.535 1.00 0.00 C ATOM 493 C ALA A 35 -5.012 -3.077 -4.186 1.00 0.00 C ATOM 494 O ALA A 35 -5.284 -2.890 -5.372 1.00 0.00 O ATOM 495 CB ALA A 35 -4.254 -1.014 -2.992 1.00 0.00 C ATOM 0 H ALA A 35 -2.826 -1.423 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.480 -2.988 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.077 -1.146 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.412 -0.546 -2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.579 -0.378 -3.816 1.00 0.00 H new ATOM 501 N PHE A 36 -5.713 -3.890 -3.403 1.00 0.00 N ATOM 502 CA PHE A 36 -6.867 -4.627 -3.904 1.00 0.00 C ATOM 503 C PHE A 36 -8.014 -4.589 -2.899 1.00 0.00 C ATOM 504 O PHE A 36 -7.904 -5.119 -1.793 1.00 0.00 O ATOM 505 CB PHE A 36 -6.483 -6.078 -4.202 1.00 0.00 C ATOM 506 CG PHE A 36 -5.872 -6.269 -5.561 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.605 -6.010 -6.707 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.564 -6.709 -5.691 1.00 0.00 C ATOM 509 CE1 PHE A 36 -6.046 -6.185 -7.959 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.999 -6.885 -6.940 1.00 0.00 C ATOM 511 CZ PHE A 36 -4.741 -6.624 -8.076 1.00 0.00 C ATOM 0 H PHE A 36 -5.502 -4.055 -2.419 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.199 -4.150 -4.826 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.779 -6.422 -3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.371 -6.705 -4.120 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.626 -5.667 -6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.980 -6.917 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.629 -5.979 -8.845 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.978 -7.226 -7.028 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.302 -6.763 -9.053 1.00 0.00 H new ATOM 521 N VAL A 37 -9.116 -3.958 -3.291 1.00 0.00 N ATOM 522 CA VAL A 37 -10.285 -3.850 -2.426 1.00 0.00 C ATOM 523 C VAL A 37 -11.517 -4.457 -3.089 1.00 0.00 C ATOM 524 O VAL A 37 -11.701 -4.344 -4.300 1.00 0.00 O ATOM 525 CB VAL A 37 -10.581 -2.383 -2.063 1.00 0.00 C ATOM 526 CG1 VAL A 37 -10.755 -1.546 -3.321 1.00 0.00 C ATOM 527 CG2 VAL A 37 -11.815 -2.292 -1.178 1.00 0.00 C ATOM 0 H VAL A 37 -9.224 -3.513 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.057 -4.403 -1.515 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.732 -1.986 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.963 -0.512 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.841 -1.586 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.585 -1.939 -3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.010 -1.248 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.673 -2.706 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.647 -2.857 -0.261 1.00 0.00 H new ATOM 537 N ALA A 38 -12.358 -5.100 -2.285 1.00 0.00 N ATOM 538 CA ALA A 38 -13.574 -5.722 -2.793 1.00 0.00 C ATOM 539 C ALA A 38 -14.778 -5.357 -1.932 1.00 0.00 C ATOM 540 O ALA A 38 -14.696 -5.281 -0.706 1.00 0.00 O ATOM 541 CB ALA A 38 -13.407 -7.233 -2.856 1.00 0.00 C ATOM 0 H ALA A 38 -12.219 -5.203 -1.280 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.752 -5.345 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.323 -7.685 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.577 -7.480 -3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.201 -7.618 -1.857 1.00 0.00 H new ATOM 547 N PRO A 39 -15.926 -5.123 -2.587 1.00 0.00 N ATOM 548 CA PRO A 39 -16.036 -5.209 -4.046 1.00 0.00 C ATOM 549 C PRO A 39 -15.290 -4.082 -4.751 1.00 0.00 C ATOM 550 O PRO A 39 -15.129 -2.992 -4.202 1.00 0.00 O ATOM 551 CB PRO A 39 -17.542 -5.092 -4.295 1.00 0.00 C ATOM 552 CG PRO A 39 -18.064 -4.347 -3.116 1.00 0.00 C ATOM 553 CD PRO A 39 -17.203 -4.756 -1.953 1.00 0.00 C ATOM 0 HA PRO A 39 -15.596 -6.127 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.750 -4.560 -5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -18.007 -6.074 -4.380 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.012 -3.271 -3.280 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.110 -4.591 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.078 -3.942 -1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.636 -5.594 -1.407 1.00 0.00 H new ATOM 561 N ALA A 40 -14.836 -4.351 -5.971 1.00 0.00 N ATOM 562 CA ALA A 40 -14.109 -3.358 -6.752 1.00 0.00 C ATOM 563 C ALA A 40 -15.036 -2.242 -7.220 1.00 0.00 C ATOM 564 O ALA A 40 -16.181 -2.475 -7.610 1.00 0.00 O ATOM 565 CB ALA A 40 -13.431 -4.018 -7.944 1.00 0.00 C ATOM 0 H ALA A 40 -14.959 -5.249 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.345 -2.916 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.892 -3.265 -8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.731 -4.775 -7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.184 -4.487 -8.577 1.00 0.00 H new ATOM 571 N PRO A 41 -14.533 -0.999 -7.182 1.00 0.00 N ATOM 572 CA PRO A 41 -15.301 0.179 -7.599 1.00 0.00 C ATOM 573 C PRO A 41 -15.535 0.215 -9.105 1.00 0.00 C ATOM 574 O PRO A 41 -14.706 -0.234 -9.898 1.00 0.00 O ATOM 575 CB PRO A 41 -14.414 1.350 -7.168 1.00 0.00 C ATOM 576 CG PRO A 41 -13.034 0.791 -7.142 1.00 0.00 C ATOM 577 CD PRO A 41 -13.177 -0.648 -6.730 1.00 0.00 C ATOM 0 HA PRO A 41 -16.297 0.194 -7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.491 2.183 -7.867 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.706 1.728 -6.188 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.562 0.871 -8.121 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.405 1.337 -6.439 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.421 -1.277 -7.200 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.068 -0.770 -5.652 1.00 0.00 H new ATOM 585 N PRO A 42 -16.690 0.761 -9.512 1.00 0.00 N ATOM 586 CA PRO A 42 -17.060 0.869 -10.927 1.00 0.00 C ATOM 587 C PRO A 42 -16.203 1.886 -11.674 1.00 0.00 C ATOM 588 O PRO A 42 -15.230 2.410 -11.131 1.00 0.00 O ATOM 589 CB PRO A 42 -18.518 1.333 -10.878 1.00 0.00 C ATOM 590 CG PRO A 42 -18.650 2.031 -9.568 1.00 0.00 C ATOM 591 CD PRO A 42 -17.725 1.316 -8.623 1.00 0.00 C ATOM 0 HA PRO A 42 -16.915 -0.071 -11.459 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.749 2.001 -11.708 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.204 0.489 -10.948 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.380 3.083 -9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.679 1.996 -9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.299 1.997 -7.886 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.243 0.532 -8.071 1.00 0.00 H new ATOM 599 N VAL A 43 -16.570 2.159 -12.921 1.00 0.00 N ATOM 600 CA VAL A 43 -15.836 3.114 -13.742 1.00 0.00 C ATOM 601 C VAL A 43 -16.020 4.538 -13.227 1.00 0.00 C ATOM 602 O VAL A 43 -15.106 5.358 -13.304 1.00 0.00 O ATOM 603 CB VAL A 43 -16.285 3.051 -15.214 1.00 0.00 C ATOM 604 CG1 VAL A 43 -17.787 3.264 -15.325 1.00 0.00 C ATOM 605 CG2 VAL A 43 -15.530 4.077 -16.046 1.00 0.00 C ATOM 0 H VAL A 43 -17.372 1.732 -13.385 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.783 2.841 -13.679 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.053 2.060 -15.603 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.085 3.216 -16.372 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.307 2.488 -14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.047 4.241 -14.918 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.860 4.018 -17.083 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.728 5.076 -15.658 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.461 3.872 -15.993 1.00 0.00 H new ATOM 615 N GLU A 44 -17.207 4.822 -12.702 1.00 0.00 N ATOM 616 CA GLU A 44 -17.510 6.147 -12.175 1.00 0.00 C ATOM 617 C GLU A 44 -16.961 6.309 -10.760 1.00 0.00 C ATOM 618 O GLU A 44 -15.977 7.017 -10.540 1.00 0.00 O ATOM 619 CB GLU A 44 -19.022 6.388 -12.177 1.00 0.00 C ATOM 620 CG GLU A 44 -19.625 6.456 -13.570 1.00 0.00 C ATOM 621 CD GLU A 44 -21.126 6.239 -13.567 1.00 0.00 C ATOM 622 OE1 GLU A 44 -21.598 5.376 -12.797 1.00 0.00 O ATOM 623 OE2 GLU A 44 -21.828 6.930 -14.333 1.00 0.00 O ATOM 0 H GLU A 44 -17.974 4.153 -12.630 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.030 6.884 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.510 5.590 -11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.234 7.320 -11.653 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.403 7.428 -14.011 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.154 5.704 -14.203 1.00 0.00 H new ATOM 630 N THR A 45 -17.603 5.647 -9.803 1.00 0.00 N ATOM 631 CA THR A 45 -17.181 5.718 -8.409 1.00 0.00 C ATOM 632 C THR A 45 -15.818 5.065 -8.214 1.00 0.00 C ATOM 633 O THR A 45 -15.601 3.921 -8.617 1.00 0.00 O ATOM 634 CB THR A 45 -18.202 5.036 -7.478 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.514 5.550 -7.730 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.836 5.260 -6.019 1.00 0.00 C ATOM 0 H THR A 45 -18.417 5.055 -9.967 1.00 0.00 H new ATOM 0 HA THR A 45 -17.115 6.775 -8.152 1.00 0.00 H new ATOM 0 HB THR A 45 -18.187 3.965 -7.680 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.157 5.110 -7.136 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.571 4.770 -5.380 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.848 4.842 -5.823 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.826 6.329 -5.806 1.00 0.00 H new ATOM 644 N THR A 46 -14.899 5.799 -7.593 1.00 0.00 N ATOM 645 CA THR A 46 -13.555 5.291 -7.345 1.00 0.00 C ATOM 646 C THR A 46 -13.092 5.631 -5.933 1.00 0.00 C ATOM 647 O THR A 46 -13.206 6.774 -5.490 1.00 0.00 O ATOM 648 CB THR A 46 -12.544 5.862 -8.357 1.00 0.00 C ATOM 649 OG1 THR A 46 -12.611 7.292 -8.364 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.818 5.330 -9.755 1.00 0.00 C ATOM 0 H THR A 46 -15.061 6.747 -7.253 1.00 0.00 H new ATOM 0 HA THR A 46 -13.599 4.208 -7.459 1.00 0.00 H new ATOM 0 HB THR A 46 -11.545 5.547 -8.055 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.743 7.618 -7.449 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.091 5.747 -10.452 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.736 4.243 -9.753 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.823 5.618 -10.063 1.00 0.00 H new ATOM 658 N TYR A 47 -12.568 4.632 -5.232 1.00 0.00 N ATOM 659 CA TYR A 47 -12.088 4.825 -3.869 1.00 0.00 C ATOM 660 C TYR A 47 -10.814 5.664 -3.853 1.00 0.00 C ATOM 661 O TYR A 47 -10.297 6.047 -4.902 1.00 0.00 O ATOM 662 CB TYR A 47 -11.829 3.473 -3.200 1.00 0.00 C ATOM 663 CG TYR A 47 -13.014 2.536 -3.253 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.314 3.021 -3.175 1.00 0.00 C ATOM 665 CD2 TYR A 47 -12.834 1.164 -3.381 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.399 2.168 -3.222 1.00 0.00 C ATOM 667 CE2 TYR A 47 -13.914 0.303 -3.430 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.194 0.810 -3.349 1.00 0.00 C ATOM 669 OH TYR A 47 -16.273 -0.043 -3.398 1.00 0.00 O ATOM 0 H TYR A 47 -12.465 3.681 -5.585 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.859 5.357 -3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.977 2.995 -3.683 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.554 3.639 -2.158 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.479 4.084 -3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.833 0.764 -3.443 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.403 2.562 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.756 -0.761 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 47 -15.968 -0.943 -3.639 1.00 0.00 H new ATOM 679 N ASN A 48 -10.313 5.946 -2.654 1.00 0.00 N ATOM 680 CA ASN A 48 -9.099 6.740 -2.500 1.00 0.00 C ATOM 681 C ASN A 48 -8.010 5.936 -1.797 1.00 0.00 C ATOM 682 O ASN A 48 -8.176 5.514 -0.653 1.00 0.00 O ATOM 683 CB ASN A 48 -9.397 8.017 -1.711 1.00 0.00 C ATOM 684 CG ASN A 48 -9.868 9.150 -2.602 1.00 0.00 C ATOM 685 OD1 ASN A 48 -9.154 9.578 -3.510 1.00 0.00 O ATOM 686 ND2 ASN A 48 -11.074 9.642 -2.346 1.00 0.00 N ATOM 0 H ASN A 48 -10.729 5.637 -1.776 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.742 7.010 -3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.159 7.808 -0.960 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.500 8.328 -1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.444 10.406 -2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.631 9.256 -1.583 1.00 0.00 H new ATOM 693 N TYR A 49 -6.895 5.730 -2.489 1.00 0.00 N ATOM 694 CA TYR A 49 -5.778 4.976 -1.933 1.00 0.00 C ATOM 695 C TYR A 49 -4.798 5.902 -1.217 1.00 0.00 C ATOM 696 O TYR A 49 -4.077 6.670 -1.853 1.00 0.00 O ATOM 697 CB TYR A 49 -5.054 4.206 -3.038 1.00 0.00 C ATOM 698 CG TYR A 49 -5.979 3.394 -3.916 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.341 2.099 -3.568 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.491 3.923 -5.095 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.186 1.354 -4.367 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.337 3.185 -5.900 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.682 1.901 -5.532 1.00 0.00 C ATOM 704 OH TYR A 49 -8.524 1.163 -6.332 1.00 0.00 O ATOM 0 H TYR A 49 -6.741 6.075 -3.436 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.177 4.267 -1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.503 4.912 -3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.320 3.540 -2.584 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.955 1.667 -2.657 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.223 4.928 -5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.457 0.348 -4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.726 3.611 -6.813 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.783 1.695 -7.113 1.00 0.00 H new ATOM 714 N GLU A 50 -4.780 5.822 0.110 1.00 0.00 N ATOM 715 CA GLU A 50 -3.890 6.652 0.912 1.00 0.00 C ATOM 716 C GLU A 50 -2.846 5.798 1.627 1.00 0.00 C ATOM 717 O GLU A 50 -3.150 5.124 2.611 1.00 0.00 O ATOM 718 CB GLU A 50 -4.692 7.459 1.935 1.00 0.00 C ATOM 719 CG GLU A 50 -3.836 8.090 3.020 1.00 0.00 C ATOM 720 CD GLU A 50 -4.532 9.244 3.714 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.469 8.988 4.498 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.137 10.405 3.474 1.00 0.00 O ATOM 0 H GLU A 50 -5.371 5.191 0.651 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.375 7.339 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.242 8.244 1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.431 6.807 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.574 7.332 3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.903 8.444 2.582 1.00 0.00 H new ATOM 729 N TRP A 51 -1.618 5.833 1.124 1.00 0.00 N ATOM 730 CA TRP A 51 -0.529 5.062 1.714 1.00 0.00 C ATOM 731 C TRP A 51 0.173 5.859 2.807 1.00 0.00 C ATOM 732 O TRP A 51 0.130 7.089 2.816 1.00 0.00 O ATOM 733 CB TRP A 51 0.478 4.655 0.636 1.00 0.00 C ATOM 734 CG TRP A 51 -0.063 3.647 -0.332 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.705 3.903 -1.510 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.011 2.222 -0.203 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.055 2.724 -2.121 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.640 1.678 -1.340 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.507 1.353 0.761 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.764 0.305 -1.536 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.382 -0.010 0.565 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.248 -0.523 -0.577 1.00 0.00 C ATOM 0 H TRP A 51 -1.351 6.386 0.310 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.955 4.164 2.162 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.791 5.543 0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.368 4.247 1.116 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.908 4.888 -1.903 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.545 2.641 -3.012 1.00 0.00 H new ATOM 0 HE3 TRP A 51 0.996 1.739 1.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.251 -0.092 -2.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.777 -0.691 1.305 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.328 -1.593 -0.702 1.00 0.00 H new ATOM 753 N ASN A 52 0.819 5.151 3.728 1.00 0.00 N ATOM 754 CA ASN A 52 1.530 5.794 4.827 1.00 0.00 C ATOM 755 C ASN A 52 2.468 4.810 5.519 1.00 0.00 C ATOM 756 O ASN A 52 2.160 3.623 5.641 1.00 0.00 O ATOM 757 CB ASN A 52 0.536 6.367 5.840 1.00 0.00 C ATOM 758 CG ASN A 52 0.037 7.743 5.445 1.00 0.00 C ATOM 759 OD1 ASN A 52 -1.124 7.789 4.802 1.00 0.00 O flip ATOM 760 ND2 ASN A 52 0.688 8.753 5.716 1.00 0.00 N flip ATOM 0 H ASN A 52 0.865 4.132 3.735 1.00 0.00 H new ATOM 0 HA ASN A 52 2.127 6.607 4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.312 5.689 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.011 6.423 6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.576 8.670 6.212 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.339 9.672 5.445 1.00 0.00 H new ATOM 767 N LEU A 53 3.614 5.309 5.969 1.00 0.00 N ATOM 768 CA LEU A 53 4.597 4.474 6.650 1.00 0.00 C ATOM 769 C LEU A 53 4.425 4.553 8.163 1.00 0.00 C ATOM 770 O LEU A 53 4.803 5.544 8.789 1.00 0.00 O ATOM 771 CB LEU A 53 6.014 4.902 6.263 1.00 0.00 C ATOM 772 CG LEU A 53 7.138 3.949 6.670 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.802 2.522 6.264 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.458 4.385 6.050 1.00 0.00 C ATOM 0 H LEU A 53 3.885 6.288 5.875 1.00 0.00 H new ATOM 0 HA LEU A 53 4.438 3.442 6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.050 5.033 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.212 5.877 6.709 1.00 0.00 H new ATOM 0 HG LEU A 53 7.241 3.982 7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.614 1.858 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.880 2.211 6.756 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.671 2.473 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.247 3.695 6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.368 4.382 4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.706 5.390 6.391 1.00 0.00 H new ATOM 786 N ILE A 54 3.855 3.503 8.745 1.00 0.00 N ATOM 787 CA ILE A 54 3.637 3.453 10.185 1.00 0.00 C ATOM 788 C ILE A 54 4.751 2.682 10.884 1.00 0.00 C ATOM 789 O ILE A 54 5.069 2.944 12.043 1.00 0.00 O ATOM 790 CB ILE A 54 2.284 2.801 10.527 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.263 1.344 10.060 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.144 3.583 9.892 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.949 1.186 8.589 1.00 0.00 C ATOM 0 H ILE A 54 3.536 2.676 8.241 1.00 0.00 H new ATOM 0 HA ILE A 54 3.635 4.484 10.539 1.00 0.00 H new ATOM 0 HB ILE A 54 2.152 2.818 11.609 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.232 0.890 10.267 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.523 0.795 10.642 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.194 3.110 10.143 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.150 4.606 10.268 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.269 3.594 8.809 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.951 0.128 8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.967 1.610 8.379 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.703 1.707 7.998 1.00 0.00 H new ATOM 805 N SER A 55 5.342 1.730 10.169 1.00 0.00 N ATOM 806 CA SER A 55 6.421 0.918 10.721 1.00 0.00 C ATOM 807 C SER A 55 7.694 1.072 9.894 1.00 0.00 C ATOM 808 O SER A 55 7.734 0.703 8.720 1.00 0.00 O ATOM 809 CB SER A 55 6.006 -0.554 10.770 1.00 0.00 C ATOM 810 OG SER A 55 6.662 -1.233 11.827 1.00 0.00 O ATOM 0 H SER A 55 5.092 1.502 9.207 1.00 0.00 H new ATOM 0 HA SER A 55 6.622 1.265 11.734 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.926 -0.627 10.901 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.245 -1.034 9.821 1.00 0.00 H new ATOM 0 HG SER A 55 6.379 -2.171 11.839 1.00 0.00 H new ATOM 816 N HIS A 56 8.734 1.619 10.516 1.00 0.00 N ATOM 817 CA HIS A 56 10.010 1.821 9.838 1.00 0.00 C ATOM 818 C HIS A 56 11.068 2.327 10.814 1.00 0.00 C ATOM 819 O HIS A 56 10.768 3.001 11.800 1.00 0.00 O ATOM 820 CB HIS A 56 9.847 2.812 8.685 1.00 0.00 C ATOM 821 CG HIS A 56 9.313 4.145 9.111 1.00 0.00 C ATOM 822 ND1 HIS A 56 8.240 4.467 9.871 1.00 0.00 N flip ATOM 823 CD2 HIS A 56 9.897 5.340 8.750 1.00 0.00 C flip ATOM 824 CE1 HIS A 56 8.197 5.837 9.955 1.00 0.00 C flip ATOM 825 NE2 HIS A 56 9.208 6.340 9.271 1.00 0.00 N flip ATOM 0 H HIS A 56 8.718 1.930 11.487 1.00 0.00 H new ATOM 0 HA HIS A 56 10.338 0.861 9.438 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.813 2.955 8.200 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.177 2.383 7.940 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.780 5.443 8.137 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.456 6.410 10.493 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.421 7.332 9.163 1.00 0.00 H new ATOM 834 N PRO A 57 12.337 1.995 10.535 1.00 0.00 N ATOM 835 CA PRO A 57 13.466 2.405 11.376 1.00 0.00 C ATOM 836 C PRO A 57 13.737 3.903 11.293 1.00 0.00 C ATOM 837 O PRO A 57 13.796 4.475 10.204 1.00 0.00 O ATOM 838 CB PRO A 57 14.644 1.616 10.799 1.00 0.00 C ATOM 839 CG PRO A 57 14.264 1.351 9.383 1.00 0.00 C ATOM 840 CD PRO A 57 12.769 1.194 9.377 1.00 0.00 C ATOM 0 HA PRO A 57 13.280 2.208 12.432 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.571 2.187 10.860 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.805 0.687 11.346 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.573 2.172 8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.752 0.451 9.010 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.330 1.560 8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.474 0.150 9.478 1.00 0.00 H new ATOM 848 N THR A 58 13.900 4.535 12.451 1.00 0.00 N ATOM 849 CA THR A 58 14.164 5.968 12.510 1.00 0.00 C ATOM 850 C THR A 58 15.310 6.354 11.582 1.00 0.00 C ATOM 851 O THR A 58 15.416 7.504 11.156 1.00 0.00 O ATOM 852 CB THR A 58 14.505 6.418 13.943 1.00 0.00 C ATOM 853 OG1 THR A 58 14.378 7.840 14.052 1.00 0.00 O ATOM 854 CG2 THR A 58 15.918 6.000 14.320 1.00 0.00 C ATOM 0 H THR A 58 13.854 4.077 13.361 1.00 0.00 H new ATOM 0 HA THR A 58 13.253 6.471 12.187 1.00 0.00 H new ATOM 0 HB THR A 58 13.806 5.937 14.628 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.595 8.119 14.966 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.136 6.329 15.336 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.004 4.915 14.264 1.00 0.00 H new ATOM 0 HG23 THR A 58 16.629 6.456 13.631 1.00 0.00 H new ATOM 862 N ASP A 59 16.165 5.386 11.271 1.00 0.00 N ATOM 863 CA ASP A 59 17.304 5.625 10.391 1.00 0.00 C ATOM 864 C ASP A 59 16.837 6.065 9.007 1.00 0.00 C ATOM 865 O ASP A 59 17.495 6.868 8.345 1.00 0.00 O ATOM 866 CB ASP A 59 18.161 4.363 10.277 1.00 0.00 C ATOM 867 CG ASP A 59 18.800 3.977 11.596 1.00 0.00 C ATOM 868 OD1 ASP A 59 19.611 4.771 12.118 1.00 0.00 O ATOM 869 OD2 ASP A 59 18.489 2.881 12.107 1.00 0.00 O ATOM 0 H ASP A 59 16.091 4.429 11.615 1.00 0.00 H new ATOM 0 HA ASP A 59 17.905 6.425 10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.543 3.539 9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.940 4.522 9.532 1.00 0.00 H new ATOM 874 N TYR A 60 15.699 5.533 8.575 1.00 0.00 N ATOM 875 CA TYR A 60 15.146 5.868 7.268 1.00 0.00 C ATOM 876 C TYR A 60 14.752 7.341 7.205 1.00 0.00 C ATOM 877 O TYR A 60 14.187 7.884 8.153 1.00 0.00 O ATOM 878 CB TYR A 60 13.932 4.990 6.964 1.00 0.00 C ATOM 879 CG TYR A 60 13.313 5.259 5.611 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.040 5.070 4.443 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.001 5.703 5.501 1.00 0.00 C ATOM 882 CE1 TYR A 60 13.479 5.316 3.204 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.431 5.950 4.267 1.00 0.00 C ATOM 884 CZ TYR A 60 12.174 5.755 3.122 1.00 0.00 C ATOM 885 OH TYR A 60 11.611 6.001 1.891 1.00 0.00 O ATOM 0 H TYR A 60 15.141 4.868 9.111 1.00 0.00 H new ATOM 0 HA TYR A 60 15.915 5.684 6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.230 3.943 7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.179 5.146 7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.062 4.725 4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.417 5.858 6.396 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.059 5.165 2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.409 6.294 4.200 1.00 0.00 H new ATOM 0 HH TYR A 60 10.686 6.303 2.009 1.00 0.00 H new ATOM 934 N ILE A 64 7.558 9.237 1.545 1.00 0.00 N ATOM 935 CA ILE A 64 6.581 8.683 0.616 1.00 0.00 C ATOM 936 C ILE A 64 5.438 9.663 0.373 1.00 0.00 C ATOM 937 O ILE A 64 5.021 10.386 1.278 1.00 0.00 O ATOM 938 CB ILE A 64 6.002 7.353 1.133 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.132 6.403 1.537 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.118 6.713 0.074 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.751 5.450 2.648 1.00 0.00 C ATOM 0 HA ILE A 64 7.106 8.500 -0.322 1.00 0.00 H new ATOM 0 HB ILE A 64 5.392 7.557 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.441 5.827 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.994 6.990 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.716 5.774 0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.297 7.387 -0.170 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.707 6.519 -0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.599 4.807 2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.470 6.018 3.535 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.908 4.837 2.328 1.00 0.00 H new ATOM 953 N LYS A 65 4.932 9.680 -0.856 1.00 0.00 N ATOM 954 CA LYS A 65 3.833 10.567 -1.219 1.00 0.00 C ATOM 955 C LYS A 65 2.486 9.909 -0.938 1.00 0.00 C ATOM 956 O LYS A 65 1.508 10.150 -1.645 1.00 0.00 O ATOM 957 CB LYS A 65 3.927 10.949 -2.698 1.00 0.00 C ATOM 958 CG LYS A 65 5.015 11.966 -2.996 1.00 0.00 C ATOM 959 CD LYS A 65 4.818 12.611 -4.357 1.00 0.00 C ATOM 960 CE LYS A 65 5.443 11.777 -5.465 1.00 0.00 C ATOM 961 NZ LYS A 65 4.592 10.610 -5.827 1.00 0.00 N ATOM 0 H LYS A 65 5.266 9.089 -1.618 1.00 0.00 H new ATOM 0 HA LYS A 65 3.911 11.468 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.111 10.050 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.967 11.351 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.016 12.736 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.989 11.479 -2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.753 12.736 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.261 13.607 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.598 12.400 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.424 11.426 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.681 10.418 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.901 9.775 -5.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.599 10.821 -5.600 1.00 0.00 H new ATOM 975 N GLN A 66 2.444 9.079 0.099 1.00 0.00 N ATOM 976 CA GLN A 66 1.216 8.387 0.474 1.00 0.00 C ATOM 977 C GLN A 66 0.533 7.789 -0.752 1.00 0.00 C ATOM 978 O GLN A 66 -0.681 7.588 -0.762 1.00 0.00 O ATOM 979 CB GLN A 66 0.261 9.348 1.185 1.00 0.00 C ATOM 980 CG GLN A 66 0.807 9.886 2.499 1.00 0.00 C ATOM 981 CD GLN A 66 0.240 11.246 2.852 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.654 11.361 3.691 1.00 0.00 O ATOM 983 NE2 GLN A 66 0.759 12.288 2.213 1.00 0.00 N ATOM 0 H GLN A 66 3.245 8.869 0.694 1.00 0.00 H new ATOM 0 HA GLN A 66 1.478 7.576 1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.041 10.185 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.682 8.836 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.578 9.182 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.893 9.954 2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.499 12.148 1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.418 13.229 2.410 1.00 0.00 H new ATOM 992 N GLY A 67 1.322 7.506 -1.784 1.00 0.00 N ATOM 993 CA GLY A 67 0.776 6.933 -3.000 1.00 0.00 C ATOM 994 C GLY A 67 -0.642 7.396 -3.273 1.00 0.00 C ATOM 995 O GLY A 67 -1.604 6.732 -2.887 1.00 0.00 O ATOM 0 H GLY A 67 2.330 7.663 -1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.412 7.203 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.792 5.846 -2.925 1.00 0.00 H new ATOM 999 N HIS A 68 -0.772 8.539 -3.939 1.00 0.00 N ATOM 1000 CA HIS A 68 -2.083 9.091 -4.262 1.00 0.00 C ATOM 1001 C HIS A 68 -2.846 8.163 -5.202 1.00 0.00 C ATOM 1002 O HIS A 68 -4.022 8.386 -5.493 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.935 10.472 -4.899 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.111 11.422 -4.085 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -1.322 11.640 -2.740 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -0.069 12.212 -4.434 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.447 12.524 -2.297 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.326 12.887 -3.305 1.00 0.00 N ATOM 0 H HIS A 68 0.014 9.101 -4.265 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.649 9.186 -3.335 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.481 10.362 -5.884 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.925 10.901 -5.051 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.370 12.296 -5.417 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.375 12.888 -1.283 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.091 13.559 -3.253 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.170 7.122 -5.676 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.783 6.159 -6.583 1.00 0.00 C ATOM 1019 C LYS A 69 -2.925 4.795 -5.914 1.00 0.00 C ATOM 1020 O LYS A 69 -2.562 4.624 -4.751 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.950 6.028 -7.860 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.142 7.180 -8.831 1.00 0.00 C ATOM 1023 CD LYS A 69 -0.889 7.429 -9.655 1.00 0.00 C ATOM 1024 CE LYS A 69 -0.911 8.806 -10.300 1.00 0.00 C ATOM 1025 NZ LYS A 69 -0.347 9.850 -9.400 1.00 0.00 N ATOM 0 H LYS A 69 -1.196 6.924 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.778 6.523 -6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.896 5.962 -7.591 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.210 5.095 -8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.978 6.962 -9.495 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.401 8.083 -8.279 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.009 7.338 -9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.803 6.665 -10.428 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.341 8.781 -11.229 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.936 9.068 -10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.380 10.774 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.906 9.892 -8.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.639 9.614 -9.170 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.453 3.828 -6.658 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.641 2.480 -6.136 1.00 0.00 C ATOM 1041 C GLN A 70 -2.303 1.765 -5.981 1.00 0.00 C ATOM 1042 O GLN A 70 -2.151 0.886 -5.131 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.559 1.676 -7.060 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.531 0.180 -6.793 1.00 0.00 C ATOM 1045 CD GLN A 70 -3.430 -0.529 -7.556 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -2.350 -0.778 -7.021 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -3.699 -0.858 -8.814 1.00 0.00 N ATOM 0 H GLN A 70 -3.758 3.953 -7.623 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.106 2.559 -5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.581 2.038 -6.948 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.269 1.858 -8.095 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.396 0.008 -5.725 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.494 -0.252 -7.067 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.608 -0.632 -9.217 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.996 -1.337 -9.377 1.00 0.00 H new ATOM 1056 N THR A 71 -1.335 2.146 -6.808 1.00 0.00 N ATOM 1057 CA THR A 71 -0.010 1.540 -6.764 1.00 0.00 C ATOM 1058 C THR A 71 1.023 2.517 -6.214 1.00 0.00 C ATOM 1059 O THR A 71 1.024 3.698 -6.563 1.00 0.00 O ATOM 1060 CB THR A 71 0.439 1.068 -8.160 1.00 0.00 C ATOM 1061 OG1 THR A 71 -0.022 1.985 -9.159 1.00 0.00 O ATOM 1062 CG2 THR A 71 -0.095 -0.325 -8.458 1.00 0.00 C ATOM 0 H THR A 71 -1.444 2.872 -7.517 1.00 0.00 H new ATOM 0 HA THR A 71 -0.079 0.677 -6.102 1.00 0.00 H new ATOM 0 HB THR A 71 1.528 1.033 -8.174 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.269 1.679 -10.043 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.235 -0.637 -9.449 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.281 -1.026 -7.713 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.184 -0.312 -8.426 1.00 0.00 H new ATOM 1070 N LEU A 72 1.903 2.017 -5.352 1.00 0.00 N ATOM 1071 CA LEU A 72 2.943 2.847 -4.754 1.00 0.00 C ATOM 1072 C LEU A 72 4.330 2.315 -5.101 1.00 0.00 C ATOM 1073 O LEU A 72 4.598 1.122 -4.972 1.00 0.00 O ATOM 1074 CB LEU A 72 2.770 2.899 -3.235 1.00 0.00 C ATOM 1075 CG LEU A 72 3.774 3.766 -2.474 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.518 5.240 -2.744 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.708 3.475 -0.982 1.00 0.00 C ATOM 0 H LEU A 72 1.917 1.042 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 72 2.848 3.854 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.766 3.263 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.831 1.882 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 72 4.776 3.522 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.242 5.842 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.618 5.437 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.510 5.500 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.429 4.101 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.705 3.690 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.942 2.425 -0.805 1.00 0.00 H new ATOM 1089 N ASN A 73 5.208 3.211 -5.541 1.00 0.00 N ATOM 1090 CA ASN A 73 6.569 2.832 -5.905 1.00 0.00 C ATOM 1091 C ASN A 73 7.583 3.473 -4.962 1.00 0.00 C ATOM 1092 O ASN A 73 7.474 4.653 -4.625 1.00 0.00 O ATOM 1093 CB ASN A 73 6.865 3.244 -7.348 1.00 0.00 C ATOM 1094 CG ASN A 73 6.545 2.143 -8.341 1.00 0.00 C ATOM 1095 OD1 ASN A 73 5.275 1.762 -8.412 1.00 0.00 O flip ATOM 1096 ND2 ASN A 73 7.429 1.642 -9.036 1.00 0.00 N flip ATOM 0 H ASN A 73 5.002 4.204 -5.654 1.00 0.00 H new ATOM 0 HA ASN A 73 6.654 1.749 -5.818 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.285 4.133 -7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.917 3.515 -7.437 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.392 1.966 -8.948 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.198 0.903 -9.700 1.00 0.00 H new ATOM 1103 N LEU A 74 8.569 2.689 -4.542 1.00 0.00 N ATOM 1104 CA LEU A 74 9.604 3.180 -3.638 1.00 0.00 C ATOM 1105 C LEU A 74 10.942 3.306 -4.360 1.00 0.00 C ATOM 1106 O LEU A 74 11.214 2.579 -5.316 1.00 0.00 O ATOM 1107 CB LEU A 74 9.746 2.244 -2.437 1.00 0.00 C ATOM 1108 CG LEU A 74 8.871 2.568 -1.226 1.00 0.00 C ATOM 1109 CD1 LEU A 74 9.134 3.985 -0.741 1.00 0.00 C ATOM 1110 CD2 LEU A 74 7.399 2.384 -1.567 1.00 0.00 C ATOM 0 H LEU A 74 8.674 1.711 -4.812 1.00 0.00 H new ATOM 0 HA LEU A 74 9.307 4.168 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.518 1.229 -2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.788 2.250 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 74 9.127 1.877 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.502 4.198 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.182 4.084 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.907 4.691 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.791 2.619 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.129 3.050 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.221 1.351 -1.866 1.00 0.00 H new ATOM 1122 N SER A 75 11.774 4.232 -3.895 1.00 0.00 N ATOM 1123 CA SER A 75 13.084 4.454 -4.497 1.00 0.00 C ATOM 1124 C SER A 75 14.107 4.854 -3.439 1.00 0.00 C ATOM 1125 O SER A 75 13.751 5.365 -2.378 1.00 0.00 O ATOM 1126 CB SER A 75 12.996 5.537 -5.574 1.00 0.00 C ATOM 1127 OG SER A 75 13.158 6.828 -5.013 1.00 0.00 O ATOM 0 H SER A 75 11.565 4.841 -3.104 1.00 0.00 H new ATOM 0 HA SER A 75 13.409 3.520 -4.956 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.763 5.366 -6.329 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.032 5.475 -6.079 1.00 0.00 H new ATOM 0 HG SER A 75 13.099 7.502 -5.722 1.00 0.00 H new ATOM 1133 N GLN A 76 15.381 4.618 -3.738 1.00 0.00 N ATOM 1134 CA GLN A 76 16.457 4.953 -2.812 1.00 0.00 C ATOM 1135 C GLN A 76 16.180 4.381 -1.426 1.00 0.00 C ATOM 1136 O GLN A 76 16.499 5.003 -0.411 1.00 0.00 O ATOM 1137 CB GLN A 76 16.630 6.470 -2.726 1.00 0.00 C ATOM 1138 CG GLN A 76 16.728 7.149 -4.083 1.00 0.00 C ATOM 1139 CD GLN A 76 16.848 8.657 -3.974 1.00 0.00 C ATOM 1140 OE1 GLN A 76 15.844 9.369 -3.934 1.00 0.00 O ATOM 1141 NE2 GLN A 76 18.079 9.151 -3.923 1.00 0.00 N ATOM 0 H GLN A 76 15.693 4.197 -4.613 1.00 0.00 H new ATOM 0 HA GLN A 76 17.379 4.510 -3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.788 6.893 -2.177 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.529 6.693 -2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.592 6.757 -4.619 1.00 0.00 H new ATOM 0 HG3 GLN A 76 15.847 6.900 -4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 76 18.882 8.523 -3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 76 18.222 10.158 -3.848 1.00 0.00 H new ATOM 1150 N LEU A 77 15.585 3.194 -1.389 1.00 0.00 N ATOM 1151 CA LEU A 77 15.264 2.538 -0.126 1.00 0.00 C ATOM 1152 C LEU A 77 16.527 2.017 0.553 1.00 0.00 C ATOM 1153 O LEU A 77 17.534 1.756 -0.105 1.00 0.00 O ATOM 1154 CB LEU A 77 14.285 1.386 -0.361 1.00 0.00 C ATOM 1155 CG LEU A 77 12.812 1.774 -0.495 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.980 0.573 -0.917 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.292 2.352 0.813 1.00 0.00 C ATOM 0 H LEU A 77 15.315 2.666 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 77 14.798 3.274 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.585 0.860 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.381 0.680 0.464 1.00 0.00 H new ATOM 0 HG LEU A 77 12.726 2.539 -1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.935 0.868 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.337 0.203 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.071 -0.214 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.242 2.623 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.392 1.609 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.869 3.239 1.074 1.00 0.00 H new ATOM 1169 N SER A 78 16.464 1.866 1.872 1.00 0.00 N ATOM 1170 CA SER A 78 17.603 1.377 2.640 1.00 0.00 C ATOM 1171 C SER A 78 17.267 0.059 3.331 1.00 0.00 C ATOM 1172 O SER A 78 16.107 -0.352 3.379 1.00 0.00 O ATOM 1173 CB SER A 78 18.028 2.417 3.679 1.00 0.00 C ATOM 1174 OG SER A 78 18.846 3.416 3.096 1.00 0.00 O ATOM 0 H SER A 78 15.637 2.075 2.431 1.00 0.00 H new ATOM 0 HA SER A 78 18.429 1.205 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.144 2.878 4.119 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.569 1.927 4.489 1.00 0.00 H new ATOM 0 HG SER A 78 19.103 4.069 3.780 1.00 0.00 H new ATOM 1180 N VAL A 79 18.290 -0.600 3.865 1.00 0.00 N ATOM 1181 CA VAL A 79 18.105 -1.871 4.554 1.00 0.00 C ATOM 1182 C VAL A 79 17.328 -1.685 5.852 1.00 0.00 C ATOM 1183 O VAL A 79 17.765 -0.967 6.751 1.00 0.00 O ATOM 1184 CB VAL A 79 19.456 -2.541 4.868 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.243 -3.846 5.620 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.245 -2.776 3.589 1.00 0.00 C ATOM 0 H VAL A 79 19.256 -0.274 3.834 1.00 0.00 H new ATOM 0 HA VAL A 79 17.536 -2.515 3.883 1.00 0.00 H new ATOM 0 HB VAL A 79 20.034 -1.872 5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.208 -4.305 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.722 -3.646 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.646 -4.524 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.196 -3.250 3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.675 -3.425 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.430 -1.822 3.095 1.00 0.00 H new ATOM 1196 N GLY A 80 16.173 -2.336 5.944 1.00 0.00 N ATOM 1197 CA GLY A 80 15.353 -2.229 7.137 1.00 0.00 C ATOM 1198 C GLY A 80 13.914 -2.635 6.889 1.00 0.00 C ATOM 1199 O GLY A 80 13.523 -2.903 5.752 1.00 0.00 O ATOM 0 H GLY A 80 15.790 -2.936 5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.775 -2.857 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.380 -1.202 7.502 1.00 0.00 H new ATOM 1203 N LEU A 81 13.123 -2.683 7.955 1.00 0.00 N ATOM 1204 CA LEU A 81 11.718 -3.062 7.849 1.00 0.00 C ATOM 1205 C LEU A 81 10.848 -1.845 7.551 1.00 0.00 C ATOM 1206 O LEU A 81 11.009 -0.789 8.163 1.00 0.00 O ATOM 1207 CB LEU A 81 11.251 -3.733 9.142 1.00 0.00 C ATOM 1208 CG LEU A 81 9.771 -4.112 9.205 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.438 -5.140 8.135 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.415 -4.643 10.586 1.00 0.00 C ATOM 0 H LEU A 81 13.430 -2.464 8.903 1.00 0.00 H new ATOM 0 HA LEU A 81 11.618 -3.768 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.843 -4.635 9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.470 -3.064 9.974 1.00 0.00 H new ATOM 0 HG LEU A 81 9.178 -3.217 9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.381 -5.398 8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.655 -4.724 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.039 -6.036 8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.358 -4.908 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.016 -5.526 10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.616 -3.876 11.334 1.00 0.00 H new ATOM 1222 N TYR A 82 9.923 -2.002 6.610 1.00 0.00 N ATOM 1223 CA TYR A 82 9.027 -0.916 6.231 1.00 0.00 C ATOM 1224 C TYR A 82 7.618 -1.440 5.967 1.00 0.00 C ATOM 1225 O TYR A 82 7.411 -2.288 5.099 1.00 0.00 O ATOM 1226 CB TYR A 82 9.558 -0.199 4.989 1.00 0.00 C ATOM 1227 CG TYR A 82 11.035 0.117 5.056 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.511 1.133 5.875 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.954 -0.603 4.302 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.860 1.426 5.939 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.304 -0.318 4.361 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.752 0.697 5.181 1.00 0.00 C ATOM 1233 OH TYR A 82 15.097 0.984 5.243 1.00 0.00 O ATOM 0 H TYR A 82 9.774 -2.870 6.096 1.00 0.00 H new ATOM 0 HA TYR A 82 8.983 -0.209 7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.367 -0.819 4.113 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.003 0.729 4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.815 1.704 6.472 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.607 -1.398 3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.214 2.221 6.579 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.005 -0.887 3.768 1.00 0.00 H new ATOM 0 HH TYR A 82 15.614 0.175 5.046 1.00 0.00 H new ATOM 1243 N VAL A 83 6.652 -0.928 6.723 1.00 0.00 N ATOM 1244 CA VAL A 83 5.262 -1.341 6.571 1.00 0.00 C ATOM 1245 C VAL A 83 4.420 -0.223 5.966 1.00 0.00 C ATOM 1246 O VAL A 83 4.316 0.866 6.531 1.00 0.00 O ATOM 1247 CB VAL A 83 4.650 -1.757 7.922 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.191 -2.151 7.748 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.448 -2.895 8.540 1.00 0.00 C ATOM 0 H VAL A 83 6.807 -0.226 7.447 1.00 0.00 H new ATOM 0 HA VAL A 83 5.258 -2.199 5.899 1.00 0.00 H new ATOM 0 HB VAL A 83 4.693 -0.904 8.599 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.775 -2.442 8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.630 -1.305 7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.121 -2.989 7.055 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.002 -3.176 9.494 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.438 -3.753 7.868 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.476 -2.572 8.702 1.00 0.00 H new ATOM 1259 N PHE A 84 3.819 -0.501 4.814 1.00 0.00 N ATOM 1260 CA PHE A 84 2.985 0.482 4.131 1.00 0.00 C ATOM 1261 C PHE A 84 1.505 0.159 4.314 1.00 0.00 C ATOM 1262 O PHE A 84 1.027 -0.889 3.881 1.00 0.00 O ATOM 1263 CB PHE A 84 3.328 0.525 2.641 1.00 0.00 C ATOM 1264 CG PHE A 84 4.805 0.559 2.366 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.539 1.712 2.591 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.459 -0.564 1.884 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.897 1.746 2.338 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.817 -0.536 1.631 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.537 0.620 1.859 1.00 0.00 C ATOM 0 H PHE A 84 3.894 -1.398 4.334 1.00 0.00 H new ATOM 0 HA PHE A 84 3.183 1.459 4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.895 -0.348 2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.863 1.404 2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.044 2.595 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.901 -1.471 1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.457 2.652 2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.315 -1.418 1.255 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.599 0.643 1.663 1.00 0.00 H new ATOM 1279 N LYS A 85 0.783 1.069 4.960 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.643 0.885 5.201 1.00 0.00 C ATOM 1281 C LYS A 85 -1.472 1.680 4.198 1.00 0.00 C ATOM 1282 O LYS A 85 -1.398 2.908 4.151 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.000 1.313 6.626 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.482 1.572 6.831 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.727 2.538 7.978 1.00 0.00 C ATOM 1286 CE LYS A 85 -3.017 1.800 9.276 1.00 0.00 C ATOM 1287 NZ LYS A 85 -4.475 1.562 9.464 1.00 0.00 N ATOM 0 H LYS A 85 1.163 1.942 5.326 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.873 -0.173 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.676 0.538 7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.444 2.217 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.911 1.978 5.915 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.992 0.630 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.854 3.178 8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.566 3.190 7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.490 0.846 9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.632 2.378 10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.632 1.057 10.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.975 2.473 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.838 0.989 8.675 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.263 0.973 3.397 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.108 1.613 2.396 1.00 0.00 C ATOM 1303 C VAL A 86 -4.537 1.769 2.903 1.00 0.00 C ATOM 1304 O VAL A 86 -5.358 0.860 2.771 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.125 0.813 1.081 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.311 -0.671 1.361 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.218 1.330 0.157 1.00 0.00 C ATOM 0 H VAL A 86 -2.336 -0.044 3.422 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.683 2.599 2.206 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.165 0.947 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.321 -1.220 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.490 -1.030 1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.256 -0.827 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.216 0.753 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.187 1.227 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.036 2.380 -0.070 1.00 0.00 H new ATOM 1317 N THR A 87 -4.831 2.929 3.483 1.00 0.00 N ATOM 1318 CA THR A 87 -6.161 3.205 4.010 1.00 0.00 C ATOM 1319 C THR A 87 -7.093 3.710 2.914 1.00 0.00 C ATOM 1320 O THR A 87 -7.019 4.871 2.509 1.00 0.00 O ATOM 1321 CB THR A 87 -6.111 4.244 5.145 1.00 0.00 C ATOM 1322 OG1 THR A 87 -4.822 4.227 5.768 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.186 3.962 6.185 1.00 0.00 C ATOM 0 H THR A 87 -4.165 3.693 3.599 1.00 0.00 H new ATOM 0 HA THR A 87 -6.546 2.265 4.405 1.00 0.00 H new ATOM 0 HB THR A 87 -6.293 5.229 4.715 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.798 4.892 6.488 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.131 4.709 6.977 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.168 4.004 5.714 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.030 2.971 6.610 1.00 0.00 H new ATOM 1331 N VAL A 88 -7.970 2.833 2.438 1.00 0.00 N ATOM 1332 CA VAL A 88 -8.918 3.191 1.390 1.00 0.00 C ATOM 1333 C VAL A 88 -10.343 3.239 1.930 1.00 0.00 C ATOM 1334 O VAL A 88 -10.949 2.203 2.205 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.859 2.196 0.216 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -9.918 2.534 -0.824 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.472 2.190 -0.407 1.00 0.00 C ATOM 0 H VAL A 88 -8.044 1.869 2.762 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.635 4.181 1.032 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.065 1.196 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.861 1.821 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.906 2.483 -0.367 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.746 3.541 -1.205 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.448 1.481 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.235 3.188 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.738 1.897 0.343 1.00 0.00 H new ATOM 1347 N SER A 89 -10.873 4.449 2.081 1.00 0.00 N ATOM 1348 CA SER A 89 -12.226 4.632 2.592 1.00 0.00 C ATOM 1349 C SER A 89 -13.020 5.582 1.699 1.00 0.00 C ATOM 1350 O SER A 89 -12.448 6.425 1.008 1.00 0.00 O ATOM 1351 CB SER A 89 -12.185 5.174 4.022 1.00 0.00 C ATOM 1352 OG SER A 89 -11.325 4.396 4.837 1.00 0.00 O ATOM 0 H SER A 89 -10.386 5.317 1.857 1.00 0.00 H new ATOM 0 HA SER A 89 -12.722 3.661 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.844 6.209 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 89 -13.190 5.173 4.444 1.00 0.00 H new ATOM 0 HG SER A 89 -11.696 4.339 5.742 1.00 0.00 H new ATOM 1358 N SER A 90 -14.341 5.437 1.720 1.00 0.00 N ATOM 1359 CA SER A 90 -15.215 6.279 0.910 1.00 0.00 C ATOM 1360 C SER A 90 -16.302 6.917 1.768 1.00 0.00 C ATOM 1361 O SER A 90 -16.308 6.773 2.990 1.00 0.00 O ATOM 1362 CB SER A 90 -15.851 5.457 -0.213 1.00 0.00 C ATOM 1363 OG SER A 90 -16.122 6.265 -1.345 1.00 0.00 O ATOM 0 H SER A 90 -14.830 4.745 2.288 1.00 0.00 H new ATOM 0 HA SER A 90 -14.611 7.073 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 90 -15.184 4.643 -0.495 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.776 5.003 0.143 1.00 0.00 H new ATOM 0 HG SER A 90 -16.526 5.716 -2.049 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.222 7.624 1.118 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.315 8.285 1.822 1.00 0.00 C ATOM 1371 C GLU A 91 -19.015 7.318 2.772 1.00 0.00 C ATOM 1372 O GLU A 91 -19.116 7.573 3.971 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.323 8.855 0.822 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.556 9.455 1.477 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.212 10.475 2.545 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -19.184 11.168 2.393 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -20.969 10.580 3.532 1.00 0.00 O ATOM 0 H GLU A 91 -17.232 7.753 0.106 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.894 9.101 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -18.832 9.620 0.220 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.633 8.063 0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.174 9.928 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.152 8.657 1.920 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.496 6.206 2.226 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.188 5.200 3.024 1.00 0.00 C ATOM 1386 C ASN A 92 -19.413 3.886 3.033 1.00 0.00 C ATOM 1387 O ASN A 92 -20.001 2.806 2.973 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.599 4.969 2.480 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.612 4.755 0.978 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -20.925 3.874 0.460 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -22.396 5.561 0.272 1.00 0.00 N ATOM 0 H ASN A 92 -19.419 5.979 1.235 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.257 5.568 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.037 4.101 2.972 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.226 5.826 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -22.446 5.464 -0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -22.948 6.277 0.744 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.090 3.985 3.110 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.235 2.805 3.130 1.00 0.00 C ATOM 1400 C ALA A 93 -15.904 3.104 3.811 1.00 0.00 C ATOM 1401 O ALA A 93 -15.524 4.263 3.973 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.003 2.298 1.714 1.00 0.00 C ATOM 0 H ALA A 93 -17.587 4.871 3.160 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.741 2.029 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.363 1.416 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -17.959 2.037 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.521 3.077 1.123 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.199 2.050 4.210 1.00 0.00 N ATOM 1409 CA PHE A 94 -13.911 2.199 4.876 1.00 0.00 C ATOM 1410 C PHE A 94 -13.109 0.902 4.807 1.00 0.00 C ATOM 1411 O PHE A 94 -13.650 -0.185 5.001 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.112 2.610 6.336 1.00 0.00 C ATOM 1413 CG PHE A 94 -12.849 3.062 7.011 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.781 2.192 7.164 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -12.729 4.355 7.492 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.617 2.605 7.786 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -11.568 4.774 8.115 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.510 3.898 8.261 1.00 0.00 C ATOM 0 H PHE A 94 -15.499 1.083 4.083 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.352 2.979 4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.846 3.414 6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.528 1.767 6.888 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.859 1.181 6.793 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.552 5.045 7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.792 1.917 7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.488 5.785 8.487 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.601 4.223 8.745 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.815 1.028 4.527 1.00 0.00 N ATOM 1429 CA GLY A 95 -10.959 -0.141 4.436 1.00 0.00 C ATOM 1430 C GLY A 95 -9.486 0.215 4.468 1.00 0.00 C ATOM 1431 O GLY A 95 -9.107 1.339 4.143 1.00 0.00 O ATOM 0 H GLY A 95 -11.345 1.918 4.362 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.184 -0.817 5.261 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.180 -0.678 3.514 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.655 -0.745 4.862 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.216 -0.525 4.936 1.00 0.00 C ATOM 1437 C GLU A 96 -6.458 -1.846 4.843 1.00 0.00 C ATOM 1438 O GLU A 96 -7.010 -2.912 5.111 1.00 0.00 O ATOM 1439 CB GLU A 96 -6.854 0.192 6.239 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.519 -0.405 7.467 1.00 0.00 C ATOM 1441 CD GLU A 96 -6.822 -1.659 7.957 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -5.659 -1.885 7.561 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -7.438 -2.414 8.738 1.00 0.00 O ATOM 0 H GLU A 96 -8.954 -1.681 5.135 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.926 0.101 4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.772 0.163 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.137 1.241 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.529 0.336 8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.558 -0.639 7.235 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.187 -1.766 4.459 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.373 -2.962 4.336 1.00 0.00 C ATOM 1452 C GLY A 97 -3.001 -2.796 4.958 1.00 0.00 C ATOM 1453 O GLY A 97 -2.644 -1.708 5.411 1.00 0.00 O ATOM 0 H GLY A 97 -4.707 -0.895 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.886 -3.797 4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.262 -3.216 3.282 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.229 -3.877 4.981 1.00 0.00 N ATOM 1458 CA PHE A 98 -0.889 -3.847 5.555 1.00 0.00 C ATOM 1459 C PHE A 98 0.069 -4.716 4.745 1.00 0.00 C ATOM 1460 O PHE A 98 -0.204 -5.888 4.489 1.00 0.00 O ATOM 1461 CB PHE A 98 -0.922 -4.324 7.008 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.104 -3.212 8.000 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -2.314 -2.543 8.098 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.065 -2.834 8.836 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -2.483 -1.519 9.010 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -0.229 -1.810 9.750 1.00 0.00 C ATOM 1467 CZ PHE A 98 -1.440 -1.152 9.838 1.00 0.00 C ATOM 0 H PHE A 98 -2.508 -4.785 4.609 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.532 -2.818 5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.732 -5.043 7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.006 -4.850 7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.134 -2.825 7.454 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.884 -3.346 8.773 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.431 -1.005 9.076 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.589 -1.525 10.395 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.571 -0.353 10.552 1.00 0.00 H new ATOM 1477 N VAL A 99 1.193 -4.130 4.343 1.00 0.00 N ATOM 1478 CA VAL A 99 2.193 -4.849 3.562 1.00 0.00 C ATOM 1479 C VAL A 99 3.604 -4.494 4.015 1.00 0.00 C ATOM 1480 O VAL A 99 4.003 -3.331 3.983 1.00 0.00 O ATOM 1481 CB VAL A 99 2.056 -4.544 2.058 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.060 -3.043 1.815 1.00 0.00 C ATOM 1483 CG2 VAL A 99 3.169 -5.223 1.274 1.00 0.00 C ATOM 0 H VAL A 99 1.434 -3.160 4.545 1.00 0.00 H new ATOM 0 HA VAL A 99 2.019 -5.912 3.727 1.00 0.00 H new ATOM 0 HB VAL A 99 1.103 -4.941 1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.962 -2.847 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.225 -2.586 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.996 -2.618 2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.057 -4.997 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.135 -4.858 1.623 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.114 -6.301 1.423 1.00 0.00 H new ATOM 1493 N ASN A 100 4.357 -5.505 4.437 1.00 0.00 N ATOM 1494 CA ASN A 100 5.725 -5.300 4.897 1.00 0.00 C ATOM 1495 C ASN A 100 6.719 -5.500 3.757 1.00 0.00 C ATOM 1496 O ASN A 100 6.525 -6.355 2.893 1.00 0.00 O ATOM 1497 CB ASN A 100 6.049 -6.259 6.045 1.00 0.00 C ATOM 1498 CG ASN A 100 5.054 -6.153 7.185 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.893 -5.798 6.980 1.00 0.00 O ATOM 1500 ND2 ASN A 100 5.506 -6.461 8.395 1.00 0.00 N ATOM 0 H ASN A 100 4.042 -6.475 4.470 1.00 0.00 H new ATOM 0 HA ASN A 100 5.811 -4.274 5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.059 -7.282 5.669 1.00 0.00 H new ATOM 0 HB3 ASN A 100 7.051 -6.048 6.420 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.883 -6.408 9.201 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.476 -6.751 8.519 1.00 0.00 H new ATOM 1507 N VAL A 101 7.784 -4.705 3.761 1.00 0.00 N ATOM 1508 CA VAL A 101 8.809 -4.795 2.729 1.00 0.00 C ATOM 1509 C VAL A 101 10.207 -4.751 3.336 1.00 0.00 C ATOM 1510 O VAL A 101 10.587 -3.770 3.977 1.00 0.00 O ATOM 1511 CB VAL A 101 8.672 -3.657 1.700 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.875 -3.630 0.770 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.381 -3.807 0.910 1.00 0.00 C ATOM 0 H VAL A 101 7.959 -3.991 4.468 1.00 0.00 H new ATOM 0 HA VAL A 101 8.665 -5.750 2.224 1.00 0.00 H new ATOM 0 HB VAL A 101 8.636 -2.708 2.236 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.760 -2.820 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.782 -3.472 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.946 -4.579 0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.300 -2.995 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.385 -4.762 0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.531 -3.772 1.592 1.00 0.00 H new ATOM 1523 N THR A 102 10.970 -5.820 3.131 1.00 0.00 N ATOM 1524 CA THR A 102 12.326 -5.903 3.659 1.00 0.00 C ATOM 1525 C THR A 102 13.358 -5.654 2.566 1.00 0.00 C ATOM 1526 O THR A 102 13.199 -6.109 1.433 1.00 0.00 O ATOM 1527 CB THR A 102 12.595 -7.278 4.300 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.552 -7.600 5.226 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.937 -7.287 5.017 1.00 0.00 C ATOM 0 H THR A 102 10.672 -6.640 2.603 1.00 0.00 H new ATOM 0 HA THR A 102 12.416 -5.130 4.422 1.00 0.00 H new ATOM 0 HB THR A 102 12.619 -8.025 3.507 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.730 -8.476 5.627 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.105 -8.268 5.462 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.732 -7.071 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.936 -6.529 5.800 1.00 0.00 H new ATOM 1537 N VAL A 103 14.417 -4.929 2.912 1.00 0.00 N ATOM 1538 CA VAL A 103 15.477 -4.620 1.960 1.00 0.00 C ATOM 1539 C VAL A 103 16.799 -5.250 2.385 1.00 0.00 C ATOM 1540 O VAL A 103 17.472 -4.755 3.289 1.00 0.00 O ATOM 1541 CB VAL A 103 15.670 -3.099 1.809 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.860 -2.799 0.910 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.405 -2.453 1.265 1.00 0.00 C ATOM 0 H VAL A 103 14.564 -4.544 3.845 1.00 0.00 H new ATOM 0 HA VAL A 103 15.172 -5.037 1.000 1.00 0.00 H new ATOM 0 HB VAL A 103 15.872 -2.676 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.981 -1.720 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.762 -3.228 1.345 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.690 -3.233 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.559 -1.379 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.170 -2.878 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.578 -2.638 1.951 1.00 0.00 H new ATOM 1553 N LYS A 104 17.165 -6.345 1.728 1.00 0.00 N ATOM 1554 CA LYS A 104 18.407 -7.043 2.036 1.00 0.00 C ATOM 1555 C LYS A 104 19.605 -6.311 1.440 1.00 0.00 C ATOM 1556 O LYS A 104 19.525 -5.709 0.369 1.00 0.00 O ATOM 1557 CB LYS A 104 18.356 -8.477 1.503 1.00 0.00 C ATOM 1558 CG LYS A 104 17.154 -9.265 1.994 1.00 0.00 C ATOM 1559 CD LYS A 104 17.352 -9.755 3.418 1.00 0.00 C ATOM 1560 CE LYS A 104 16.428 -10.919 3.741 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.951 -12.208 3.208 1.00 0.00 N ATOM 0 H LYS A 104 16.618 -6.769 0.978 1.00 0.00 H new ATOM 0 HA LYS A 104 18.521 -7.068 3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.342 -8.451 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.267 -8.998 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.263 -8.639 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.983 -10.117 1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.388 -10.063 3.557 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.166 -8.937 4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.305 -10.996 4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.441 -10.726 3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.293 -12.976 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.044 -12.144 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.882 -12.405 3.628 1.00 0.00 H new ATOM 1575 N PRO A 105 20.744 -6.363 2.147 1.00 0.00 N ATOM 1576 CA PRO A 105 21.980 -5.711 1.705 1.00 0.00 C ATOM 1577 C PRO A 105 22.591 -6.393 0.486 1.00 0.00 C ATOM 1578 O PRO A 105 22.401 -7.590 0.272 1.00 0.00 O ATOM 1579 CB PRO A 105 22.906 -5.850 2.916 1.00 0.00 C ATOM 1580 CG PRO A 105 22.400 -7.047 3.645 1.00 0.00 C ATOM 1581 CD PRO A 105 20.911 -7.062 3.432 1.00 0.00 C ATOM 0 HA PRO A 105 21.810 -4.679 1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.943 -5.983 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.872 -4.960 3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.858 -7.959 3.263 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.642 -6.989 4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.521 -8.079 3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.384 -6.552 4.239 1.00 0.00 H new ATOM 1589 N ALA A 106 23.326 -5.624 -0.311 1.00 0.00 N ATOM 1590 CA ALA A 106 23.967 -6.155 -1.507 1.00 0.00 C ATOM 1591 C ALA A 106 24.908 -7.304 -1.162 1.00 0.00 C ATOM 1592 O ALA A 106 25.982 -7.092 -0.599 1.00 0.00 O ATOM 1593 CB ALA A 106 24.722 -5.053 -2.235 1.00 0.00 C ATOM 0 H ALA A 106 23.492 -4.631 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 106 23.188 -6.542 -2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.196 -5.464 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 106 24.026 -4.265 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.486 -4.639 -1.577 1.00 0.00 H new