USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 806 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 Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.21) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.44) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0905 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -3.53 K(o=-3.5,f=-11!) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 13 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.28) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= -1.35 K(o=-1.3,f=-2.6!) USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.45) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 THR OG1 : rot 180:sc= -0.0869 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 GLN : amide:sc= -3.57 K(o=-3.6,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.602 -10.968 13.394 1.00 0.00 N ATOM 2 CA ALA A 2 -6.425 -10.249 12.099 1.00 0.00 C ATOM 3 C ALA A 2 -6.958 -8.818 12.212 1.00 0.00 C ATOM 4 O ALA A 2 -7.942 -8.566 12.881 1.00 0.00 O ATOM 5 CB ALA A 2 -7.246 -11.047 11.088 1.00 0.00 C ATOM 0 HA ALA A 2 -5.377 -10.176 11.807 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.167 -10.580 10.106 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.867 -12.068 11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.290 -11.063 11.399 1.00 0.00 H new ATOM 13 N VAL A 3 -6.313 -7.883 11.562 1.00 0.00 N ATOM 14 CA VAL A 3 -6.775 -6.463 11.628 1.00 0.00 C ATOM 15 C VAL A 3 -7.424 -6.059 10.300 1.00 0.00 C ATOM 16 O VAL A 3 -6.765 -5.968 9.280 1.00 0.00 O ATOM 17 CB VAL A 3 -5.508 -5.640 11.887 1.00 0.00 C ATOM 18 CG1 VAL A 3 -5.866 -4.153 11.975 1.00 0.00 C ATOM 19 CG2 VAL A 3 -4.867 -6.081 13.207 1.00 0.00 C ATOM 0 H VAL A 3 -5.485 -8.042 10.988 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.522 -6.306 12.406 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.807 -5.799 11.068 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.963 -3.572 12.159 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.319 -3.832 11.037 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.571 -3.996 12.791 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.967 -5.494 13.388 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.572 -5.925 14.024 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.606 -7.138 13.149 1.00 0.00 H new ATOM 29 N GLU A 4 -8.711 -5.817 10.308 1.00 0.00 N ATOM 30 CA GLU A 4 -9.412 -5.416 9.051 1.00 0.00 C ATOM 31 C GLU A 4 -9.669 -3.906 9.052 1.00 0.00 C ATOM 32 O GLU A 4 -9.649 -3.268 10.089 1.00 0.00 O ATOM 33 CB GLU A 4 -10.733 -6.186 9.069 1.00 0.00 C ATOM 34 CG GLU A 4 -10.453 -7.691 8.974 1.00 0.00 C ATOM 35 CD GLU A 4 -10.555 -8.325 10.364 1.00 0.00 C ATOM 36 OE1 GLU A 4 -11.440 -7.934 11.108 1.00 0.00 O ATOM 37 OE2 GLU A 4 -9.748 -9.191 10.660 1.00 0.00 O ATOM 0 H GLU A 4 -9.307 -5.880 11.133 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.825 -5.639 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.282 -5.965 9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.361 -5.870 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.166 -8.161 8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.459 -7.860 8.559 1.00 0.00 H new ATOM 44 N GLU A 5 -9.908 -3.333 7.900 1.00 0.00 N ATOM 45 CA GLU A 5 -10.166 -1.864 7.829 1.00 0.00 C ATOM 46 C GLU A 5 -11.070 -1.540 6.637 1.00 0.00 C ATOM 47 O GLU A 5 -11.039 -2.210 5.622 1.00 0.00 O ATOM 48 CB GLU A 5 -8.785 -1.230 7.649 1.00 0.00 C ATOM 49 CG GLU A 5 -8.705 0.060 8.469 1.00 0.00 C ATOM 50 CD GLU A 5 -9.229 1.229 7.633 1.00 0.00 C ATOM 51 OE1 GLU A 5 -8.560 1.599 6.683 1.00 0.00 O ATOM 52 OE2 GLU A 5 -10.291 1.733 7.958 1.00 0.00 O ATOM 0 H GLU A 5 -9.936 -3.820 7.004 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.674 -1.489 8.718 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.009 -1.926 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.606 -1.016 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.292 -0.040 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.675 0.248 8.771 1.00 0.00 H new ATOM 59 N ILE A 6 -11.875 -0.516 6.759 1.00 0.00 N ATOM 60 CA ILE A 6 -12.793 -0.136 5.641 1.00 0.00 C ATOM 61 C ILE A 6 -12.489 1.295 5.184 1.00 0.00 C ATOM 62 O ILE A 6 -12.096 2.134 5.973 1.00 0.00 O ATOM 63 CB ILE A 6 -14.204 -0.229 6.235 1.00 0.00 C ATOM 64 CG1 ILE A 6 -14.472 -1.659 6.715 1.00 0.00 C ATOM 65 CG2 ILE A 6 -15.239 0.145 5.172 1.00 0.00 C ATOM 66 CD1 ILE A 6 -15.482 -1.630 7.862 1.00 0.00 C ATOM 0 H ILE A 6 -11.937 0.076 7.587 1.00 0.00 H new ATOM 0 HA ILE A 6 -12.681 -0.781 4.769 1.00 0.00 H new ATOM 0 HB ILE A 6 -14.279 0.459 7.077 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -14.856 -2.264 5.893 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.543 -2.123 7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -16.240 0.077 5.599 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -15.058 1.164 4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -15.158 -0.540 4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -15.673 -2.647 8.204 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -15.080 -1.040 8.686 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -16.414 -1.183 7.515 1.00 0.00 H new ATOM 78 N VAL A 7 -12.668 1.577 3.917 1.00 0.00 N ATOM 79 CA VAL A 7 -12.391 2.954 3.404 1.00 0.00 C ATOM 80 C VAL A 7 -12.946 3.116 1.983 1.00 0.00 C ATOM 81 O VAL A 7 -13.216 2.146 1.300 1.00 0.00 O ATOM 82 CB VAL A 7 -10.862 3.083 3.420 1.00 0.00 C ATOM 83 CG1 VAL A 7 -10.237 2.024 2.505 1.00 0.00 C ATOM 84 CG2 VAL A 7 -10.462 4.478 2.935 1.00 0.00 C ATOM 0 H VAL A 7 -12.994 0.912 3.216 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.866 3.726 4.009 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.502 2.932 4.438 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.152 2.123 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.516 1.030 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -10.598 2.165 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.376 4.570 2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.828 4.629 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -10.896 5.230 3.593 1.00 0.00 H new ATOM 94 N LYS A 8 -13.115 4.336 1.538 1.00 0.00 N ATOM 95 CA LYS A 8 -13.652 4.571 0.162 1.00 0.00 C ATOM 96 C LYS A 8 -12.558 5.155 -0.739 1.00 0.00 C ATOM 97 O LYS A 8 -11.401 5.207 -0.368 1.00 0.00 O ATOM 98 CB LYS A 8 -14.794 5.575 0.347 1.00 0.00 C ATOM 99 CG LYS A 8 -15.993 5.151 -0.504 1.00 0.00 C ATOM 100 CD LYS A 8 -17.282 5.690 0.121 1.00 0.00 C ATOM 101 CE LYS A 8 -17.537 7.113 -0.382 1.00 0.00 C ATOM 102 NZ LYS A 8 -19.015 7.287 -0.311 1.00 0.00 N ATOM 0 H LYS A 8 -12.904 5.181 2.069 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.994 3.651 -0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.081 5.626 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.465 6.573 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.883 5.530 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.037 4.064 -0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.122 5.045 -0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.201 5.686 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.023 7.849 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.173 7.243 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.269 8.240 -0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -19.477 6.578 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -19.332 7.165 0.672 1.00 0.00 H new ATOM 116 N VAL A 9 -12.918 5.590 -1.922 1.00 0.00 N ATOM 117 CA VAL A 9 -11.902 6.168 -2.855 1.00 0.00 C ATOM 118 C VAL A 9 -12.116 7.680 -2.994 1.00 0.00 C ATOM 119 O VAL A 9 -13.203 8.182 -2.776 1.00 0.00 O ATOM 120 CB VAL A 9 -12.140 5.463 -4.194 1.00 0.00 C ATOM 121 CG1 VAL A 9 -11.130 5.966 -5.228 1.00 0.00 C ATOM 122 CG2 VAL A 9 -11.970 3.950 -4.018 1.00 0.00 C ATOM 0 H VAL A 9 -13.872 5.570 -2.282 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.882 6.022 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.152 5.680 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.302 5.463 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.249 7.041 -5.360 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.119 5.753 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.140 3.451 -4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.959 3.735 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.690 3.586 -3.285 1.00 0.00 H new ATOM 132 N SER A 10 -11.086 8.407 -3.355 1.00 0.00 N ATOM 133 CA SER A 10 -11.227 9.887 -3.509 1.00 0.00 C ATOM 134 C SER A 10 -9.987 10.473 -4.193 1.00 0.00 C ATOM 135 O SER A 10 -9.083 9.759 -4.578 1.00 0.00 O ATOM 136 CB SER A 10 -11.352 10.427 -2.084 1.00 0.00 C ATOM 137 OG SER A 10 -10.093 10.329 -1.433 1.00 0.00 O ATOM 0 H SER A 10 -10.155 8.039 -3.549 1.00 0.00 H new ATOM 0 HA SER A 10 -12.086 10.153 -4.125 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.684 11.465 -2.104 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.104 9.862 -1.533 1.00 0.00 H new ATOM 0 HG SER A 10 -10.169 10.676 -0.520 1.00 0.00 H new ATOM 143 N ARG A 11 -9.942 11.777 -4.340 1.00 0.00 N ATOM 144 CA ARG A 11 -8.767 12.441 -4.995 1.00 0.00 C ATOM 145 C ARG A 11 -8.481 11.812 -6.367 1.00 0.00 C ATOM 146 O ARG A 11 -9.349 11.214 -6.975 1.00 0.00 O ATOM 147 CB ARG A 11 -7.589 12.216 -4.037 1.00 0.00 C ATOM 148 CG ARG A 11 -6.837 13.534 -3.820 1.00 0.00 C ATOM 149 CD ARG A 11 -7.324 14.199 -2.527 1.00 0.00 C ATOM 150 NE ARG A 11 -8.245 15.293 -2.970 1.00 0.00 N ATOM 151 CZ ARG A 11 -9.124 15.829 -2.145 1.00 0.00 C ATOM 152 NH1 ARG A 11 -9.222 15.437 -0.894 1.00 0.00 N ATOM 153 NH2 ARG A 11 -9.912 16.773 -2.580 1.00 0.00 N ATOM 0 H ARG A 11 -10.675 12.415 -4.032 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.948 13.501 -5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.952 11.833 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.914 11.465 -4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.765 13.347 -3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.000 14.201 -4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.841 13.484 -1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.489 14.597 -1.950 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.192 15.631 -3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.610 14.702 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.910 15.868 -0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.844 17.088 -3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.596 17.196 -1.953 1.00 0.00 H new ATOM 167 N ASN A 12 -7.272 11.946 -6.852 1.00 0.00 N ATOM 168 CA ASN A 12 -6.921 11.362 -8.180 1.00 0.00 C ATOM 169 C ASN A 12 -6.450 9.912 -8.015 1.00 0.00 C ATOM 170 O ASN A 12 -5.306 9.588 -8.271 1.00 0.00 O ATOM 171 CB ASN A 12 -5.786 12.241 -8.711 1.00 0.00 C ATOM 172 CG ASN A 12 -5.874 12.329 -10.237 1.00 0.00 C ATOM 173 OD1 ASN A 12 -6.803 12.901 -10.773 1.00 0.00 O ATOM 174 ND2 ASN A 12 -4.938 11.782 -10.964 1.00 0.00 N ATOM 0 H ASN A 12 -6.511 12.437 -6.382 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.772 11.341 -8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.850 13.238 -8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.822 11.826 -8.416 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.986 11.835 -11.981 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.158 11.302 -10.515 1.00 0.00 H new ATOM 181 N TYR A 13 -7.330 9.038 -7.589 1.00 0.00 N ATOM 182 CA TYR A 13 -6.957 7.595 -7.400 1.00 0.00 C ATOM 183 C TYR A 13 -5.721 7.459 -6.505 1.00 0.00 C ATOM 184 O TYR A 13 -4.924 6.553 -6.669 1.00 0.00 O ATOM 185 CB TYR A 13 -6.664 7.061 -8.807 1.00 0.00 C ATOM 186 CG TYR A 13 -7.953 6.961 -9.583 1.00 0.00 C ATOM 187 CD1 TYR A 13 -8.420 8.063 -10.311 1.00 0.00 C ATOM 188 CD2 TYR A 13 -8.685 5.768 -9.572 1.00 0.00 C ATOM 189 CE1 TYR A 13 -9.619 7.970 -11.027 1.00 0.00 C ATOM 190 CE2 TYR A 13 -9.884 5.676 -10.288 1.00 0.00 C ATOM 191 CZ TYR A 13 -10.352 6.776 -11.016 1.00 0.00 C ATOM 192 OH TYR A 13 -11.534 6.686 -11.722 1.00 0.00 O ATOM 0 H TYR A 13 -8.299 9.262 -7.362 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.756 7.037 -6.911 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.967 7.723 -9.321 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.187 6.083 -8.745 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.855 8.984 -10.320 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -8.325 4.918 -9.011 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -9.979 8.819 -11.588 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.449 4.755 -10.279 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.915 5.790 -11.609 1.00 0.00 H new ATOM 202 N GLN A 14 -5.564 8.344 -5.555 1.00 0.00 N ATOM 203 CA GLN A 14 -4.388 8.266 -4.638 1.00 0.00 C ATOM 204 C GLN A 14 -4.685 7.286 -3.500 1.00 0.00 C ATOM 205 O GLN A 14 -5.824 7.101 -3.114 1.00 0.00 O ATOM 206 CB GLN A 14 -4.210 9.683 -4.091 1.00 0.00 C ATOM 207 CG GLN A 14 -3.306 10.485 -5.030 1.00 0.00 C ATOM 208 CD GLN A 14 -1.883 9.925 -4.972 1.00 0.00 C ATOM 209 OE1 GLN A 14 -1.372 9.431 -5.958 1.00 0.00 O ATOM 210 NE2 GLN A 14 -1.217 9.981 -3.851 1.00 0.00 N ATOM 0 H GLN A 14 -6.201 9.120 -5.374 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.489 7.914 -5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.180 10.172 -3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.774 9.646 -3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.687 10.434 -6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.306 11.536 -4.742 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.646 10.396 -3.023 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.268 9.610 -3.803 1.00 0.00 H new ATOM 219 N VAL A 15 -3.671 6.659 -2.960 1.00 0.00 N ATOM 220 CA VAL A 15 -3.894 5.691 -1.842 1.00 0.00 C ATOM 221 C VAL A 15 -3.056 6.091 -0.626 1.00 0.00 C ATOM 222 O VAL A 15 -1.917 6.503 -0.751 1.00 0.00 O ATOM 223 CB VAL A 15 -3.446 4.328 -2.387 1.00 0.00 C ATOM 224 CG1 VAL A 15 -3.675 3.249 -1.324 1.00 0.00 C ATOM 225 CG2 VAL A 15 -4.260 3.979 -3.637 1.00 0.00 C ATOM 0 H VAL A 15 -2.698 6.775 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.935 5.669 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.387 4.376 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.356 2.282 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.098 3.489 -0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.734 3.207 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.939 3.011 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.319 3.935 -3.381 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.102 4.742 -4.399 1.00 0.00 H new ATOM 235 N THR A 16 -3.613 5.968 0.551 1.00 0.00 N ATOM 236 CA THR A 16 -2.862 6.333 1.788 1.00 0.00 C ATOM 237 C THR A 16 -3.244 5.384 2.929 1.00 0.00 C ATOM 238 O THR A 16 -4.353 5.414 3.429 1.00 0.00 O ATOM 239 CB THR A 16 -3.285 7.774 2.109 1.00 0.00 C ATOM 240 OG1 THR A 16 -2.648 8.192 3.309 1.00 0.00 O ATOM 241 CG2 THR A 16 -4.806 7.857 2.284 1.00 0.00 C ATOM 0 H THR A 16 -4.562 5.628 0.709 1.00 0.00 H new ATOM 0 HA THR A 16 -1.783 6.255 1.657 1.00 0.00 H new ATOM 0 HB THR A 16 -2.990 8.423 1.285 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.914 9.112 3.517 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.091 8.884 2.511 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.296 7.540 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.114 7.206 3.102 1.00 0.00 H new ATOM 249 N ILE A 17 -2.332 4.537 3.336 1.00 0.00 N ATOM 250 CA ILE A 17 -2.636 3.575 4.442 1.00 0.00 C ATOM 251 C ILE A 17 -2.732 4.325 5.783 1.00 0.00 C ATOM 252 O ILE A 17 -1.979 5.250 6.019 1.00 0.00 O ATOM 253 CB ILE A 17 -1.464 2.585 4.450 1.00 0.00 C ATOM 254 CG1 ILE A 17 -1.385 1.876 3.095 1.00 0.00 C ATOM 255 CG2 ILE A 17 -1.675 1.543 5.552 1.00 0.00 C ATOM 256 CD1 ILE A 17 -0.109 1.037 3.028 1.00 0.00 C ATOM 0 H ILE A 17 -1.390 4.469 2.951 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.588 3.065 4.297 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.537 3.128 4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.259 1.239 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.393 2.609 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.840 0.842 5.554 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.732 2.043 6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.603 1.002 5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.055 0.533 2.063 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.759 1.685 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.120 0.294 3.825 1.00 0.00 H new ATOM 268 N PRO A 18 -3.656 3.909 6.627 1.00 0.00 N ATOM 269 CA PRO A 18 -3.820 4.574 7.945 1.00 0.00 C ATOM 270 C PRO A 18 -2.619 4.278 8.847 1.00 0.00 C ATOM 271 O PRO A 18 -1.700 3.581 8.462 1.00 0.00 O ATOM 272 CB PRO A 18 -5.091 3.952 8.521 1.00 0.00 C ATOM 273 CG PRO A 18 -5.263 2.655 7.796 1.00 0.00 C ATOM 274 CD PRO A 18 -4.615 2.807 6.447 1.00 0.00 C ATOM 0 HA PRO A 18 -3.885 5.659 7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -4.998 3.792 9.595 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.951 4.604 8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.803 1.839 8.354 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.320 2.412 7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.113 1.889 6.141 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.350 3.041 5.677 1.00 0.00 H new ATOM 282 N ALA A 19 -2.625 4.804 10.046 1.00 0.00 N ATOM 283 CA ALA A 19 -1.489 4.557 10.985 1.00 0.00 C ATOM 284 C ALA A 19 -1.628 3.173 11.626 1.00 0.00 C ATOM 285 O ALA A 19 -0.647 2.532 11.954 1.00 0.00 O ATOM 286 CB ALA A 19 -1.596 5.653 12.044 1.00 0.00 C ATOM 0 H ALA A 19 -3.370 5.395 10.416 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.524 4.579 10.479 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.792 5.536 12.771 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.515 6.629 11.567 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.558 5.576 12.551 1.00 0.00 H new ATOM 292 N LYS A 20 -2.840 2.709 11.801 1.00 0.00 N ATOM 293 CA LYS A 20 -3.054 1.361 12.417 1.00 0.00 C ATOM 294 C LYS A 20 -2.394 0.282 11.555 1.00 0.00 C ATOM 295 O LYS A 20 -1.634 -0.534 12.043 1.00 0.00 O ATOM 296 CB LYS A 20 -4.571 1.167 12.454 1.00 0.00 C ATOM 297 CG LYS A 20 -5.170 2.042 13.556 1.00 0.00 C ATOM 298 CD LYS A 20 -6.692 1.890 13.561 1.00 0.00 C ATOM 299 CE LYS A 20 -7.305 2.922 14.511 1.00 0.00 C ATOM 300 NZ LYS A 20 -8.761 2.613 14.525 1.00 0.00 N ATOM 0 H LYS A 20 -3.693 3.206 11.544 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.617 1.289 13.413 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.006 1.430 11.490 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.810 0.119 12.636 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.762 1.754 14.525 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.899 3.085 13.394 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.085 2.028 12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.967 0.883 13.875 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.875 2.844 15.510 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.120 3.938 14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.251 3.279 15.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.144 2.702 13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.906 1.642 14.867 1.00 0.00 H new ATOM 314 N VAL A 21 -2.672 0.282 10.276 1.00 0.00 N ATOM 315 CA VAL A 21 -2.054 -0.736 9.373 1.00 0.00 C ATOM 316 C VAL A 21 -0.548 -0.483 9.283 1.00 0.00 C ATOM 317 O VAL A 21 0.244 -1.405 9.216 1.00 0.00 O ATOM 318 CB VAL A 21 -2.724 -0.534 8.008 1.00 0.00 C ATOM 319 CG1 VAL A 21 -2.156 -1.537 6.997 1.00 0.00 C ATOM 320 CG2 VAL A 21 -4.236 -0.748 8.140 1.00 0.00 C ATOM 0 H VAL A 21 -3.300 0.943 9.818 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.194 -1.756 9.732 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.528 0.480 7.661 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.635 -1.389 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.081 -1.384 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.347 -2.552 7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.710 -0.604 7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.431 -1.761 8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.644 -0.031 8.853 1.00 0.00 H new ATOM 330 N ARG A 22 -0.151 0.765 9.292 1.00 0.00 N ATOM 331 CA ARG A 22 1.304 1.092 9.219 1.00 0.00 C ATOM 332 C ARG A 22 2.013 0.557 10.464 1.00 0.00 C ATOM 333 O ARG A 22 3.163 0.165 10.416 1.00 0.00 O ATOM 334 CB ARG A 22 1.375 2.621 9.172 1.00 0.00 C ATOM 335 CG ARG A 22 2.799 3.058 8.822 1.00 0.00 C ATOM 336 CD ARG A 22 2.977 3.047 7.300 1.00 0.00 C ATOM 337 NE ARG A 22 2.124 4.169 6.801 1.00 0.00 N ATOM 338 CZ ARG A 22 1.682 4.198 5.558 1.00 0.00 C ATOM 339 NH1 ARG A 22 2.014 3.275 4.686 1.00 0.00 N ATOM 340 NH2 ARG A 22 0.909 5.179 5.181 1.00 0.00 N ATOM 0 H ARG A 22 -0.773 1.571 9.347 1.00 0.00 H new ATOM 0 HA ARG A 22 1.788 0.644 8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.674 3.005 8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.082 3.039 10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.991 4.057 9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.521 2.388 9.288 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.021 3.193 7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.664 2.094 6.873 1.00 0.00 H new ATOM 0 HE ARG A 22 1.878 4.929 7.435 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.629 2.510 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.657 3.323 3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.654 5.911 5.844 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.560 5.214 4.223 1.00 0.00 H new ATOM 354 N GLN A 23 1.324 0.530 11.579 1.00 0.00 N ATOM 355 CA GLN A 23 1.945 0.009 12.834 1.00 0.00 C ATOM 356 C GLN A 23 2.161 -1.501 12.703 1.00 0.00 C ATOM 357 O GLN A 23 3.227 -2.011 12.990 1.00 0.00 O ATOM 358 CB GLN A 23 0.939 0.319 13.950 1.00 0.00 C ATOM 359 CG GLN A 23 1.455 1.480 14.806 1.00 0.00 C ATOM 360 CD GLN A 23 1.518 2.755 13.961 1.00 0.00 C ATOM 361 OE1 GLN A 23 0.565 3.505 13.902 1.00 0.00 O ATOM 362 NE2 GLN A 23 2.609 3.031 13.299 1.00 0.00 N ATOM 0 H GLN A 23 0.359 0.846 11.673 1.00 0.00 H new ATOM 0 HA GLN A 23 2.914 0.463 13.040 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.029 0.575 13.519 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.788 -0.564 14.571 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.799 1.632 15.663 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.444 1.243 15.199 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.409 2.400 13.349 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.661 3.877 12.732 1.00 0.00 H new ATOM 371 N LYS A 24 1.155 -2.213 12.259 1.00 0.00 N ATOM 372 CA LYS A 24 1.299 -3.692 12.089 1.00 0.00 C ATOM 373 C LYS A 24 2.352 -3.979 11.017 1.00 0.00 C ATOM 374 O LYS A 24 3.432 -4.460 11.307 1.00 0.00 O ATOM 375 CB LYS A 24 -0.082 -4.190 11.641 1.00 0.00 C ATOM 376 CG LYS A 24 -0.755 -4.955 12.785 1.00 0.00 C ATOM 377 CD LYS A 24 -1.526 -3.977 13.682 1.00 0.00 C ATOM 378 CE LYS A 24 -1.230 -4.281 15.156 1.00 0.00 C ATOM 379 NZ LYS A 24 -2.548 -4.180 15.842 1.00 0.00 N ATOM 0 H LYS A 24 0.242 -1.835 12.007 1.00 0.00 H new ATOM 0 HA LYS A 24 1.620 -4.189 13.005 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.703 -3.346 11.341 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.020 -4.837 10.769 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.434 -5.706 12.382 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.004 -5.486 13.371 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.240 -2.952 13.448 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.596 -4.061 13.492 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.798 -5.275 15.275 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.514 -3.571 15.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.427 -4.375 16.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.932 -3.221 15.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.207 -4.873 15.432 1.00 0.00 H new ATOM 393 N PHE A 25 2.046 -3.675 9.779 1.00 0.00 N ATOM 394 CA PHE A 25 3.031 -3.915 8.677 1.00 0.00 C ATOM 395 C PHE A 25 4.242 -2.993 8.856 1.00 0.00 C ATOM 396 O PHE A 25 4.149 -1.953 9.482 1.00 0.00 O ATOM 397 CB PHE A 25 2.280 -3.573 7.383 1.00 0.00 C ATOM 398 CG PHE A 25 2.494 -4.666 6.362 1.00 0.00 C ATOM 399 CD1 PHE A 25 3.688 -4.724 5.635 1.00 0.00 C ATOM 400 CD2 PHE A 25 1.496 -5.623 6.144 1.00 0.00 C ATOM 401 CE1 PHE A 25 3.884 -5.739 4.691 1.00 0.00 C ATOM 402 CE2 PHE A 25 1.692 -6.637 5.201 1.00 0.00 C ATOM 403 CZ PHE A 25 2.887 -6.696 4.474 1.00 0.00 C ATOM 0 H PHE A 25 1.157 -3.271 9.484 1.00 0.00 H new ATOM 0 HA PHE A 25 3.402 -4.940 8.667 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.216 -3.459 7.589 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.633 -2.620 6.988 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.458 -3.986 5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.574 -5.578 6.704 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.806 -5.783 4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.921 -7.375 5.034 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.039 -7.480 3.746 1.00 0.00 H new ATOM 413 N GLN A 26 5.374 -3.365 8.311 1.00 0.00 N ATOM 414 CA GLN A 26 6.590 -2.508 8.449 1.00 0.00 C ATOM 415 C GLN A 26 6.512 -1.321 7.476 1.00 0.00 C ATOM 416 O GLN A 26 6.131 -0.230 7.854 1.00 0.00 O ATOM 417 CB GLN A 26 7.770 -3.425 8.109 1.00 0.00 C ATOM 418 CG GLN A 26 8.315 -4.057 9.392 1.00 0.00 C ATOM 419 CD GLN A 26 7.261 -4.987 9.993 1.00 0.00 C ATOM 420 OE1 GLN A 26 7.029 -6.069 9.490 1.00 0.00 O ATOM 421 NE2 GLN A 26 6.607 -4.609 11.057 1.00 0.00 N ATOM 0 H GLN A 26 5.508 -4.224 7.777 1.00 0.00 H new ATOM 0 HA GLN A 26 6.690 -2.086 9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.451 -4.203 7.415 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.554 -2.856 7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.226 -4.615 9.176 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.580 -3.279 10.109 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.801 -3.701 11.479 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.901 -5.221 11.466 1.00 0.00 H new ATOM 430 N ILE A 27 6.864 -1.524 6.224 1.00 0.00 N ATOM 431 CA ILE A 27 6.806 -0.411 5.219 1.00 0.00 C ATOM 432 C ILE A 27 7.525 0.840 5.745 1.00 0.00 C ATOM 433 O ILE A 27 6.919 1.709 6.345 1.00 0.00 O ATOM 434 CB ILE A 27 5.310 -0.138 5.013 1.00 0.00 C ATOM 435 CG1 ILE A 27 4.636 -1.399 4.464 1.00 0.00 C ATOM 436 CG2 ILE A 27 5.116 1.011 4.018 1.00 0.00 C ATOM 437 CD1 ILE A 27 3.124 -1.319 4.691 1.00 0.00 C ATOM 0 H ILE A 27 7.190 -2.417 5.855 1.00 0.00 H new ATOM 0 HA ILE A 27 7.303 -0.677 4.286 1.00 0.00 H new ATOM 0 HB ILE A 27 4.864 0.137 5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.848 -1.502 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.041 -2.283 4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.051 1.196 3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.594 1.911 4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.565 0.744 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.649 -2.218 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.920 -1.237 5.759 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.725 -0.444 4.177 1.00 0.00 H new ATOM 449 N LYS A 28 8.811 0.933 5.520 1.00 0.00 N ATOM 450 CA LYS A 28 9.577 2.122 5.999 1.00 0.00 C ATOM 451 C LYS A 28 10.314 2.775 4.826 1.00 0.00 C ATOM 452 O LYS A 28 10.331 2.252 3.728 1.00 0.00 O ATOM 453 CB LYS A 28 10.569 1.566 7.023 1.00 0.00 C ATOM 454 CG LYS A 28 9.805 1.052 8.246 1.00 0.00 C ATOM 455 CD LYS A 28 10.725 1.056 9.472 1.00 0.00 C ATOM 456 CE LYS A 28 10.435 2.291 10.331 1.00 0.00 C ATOM 457 NZ LYS A 28 11.592 2.391 11.263 1.00 0.00 N ATOM 0 H LYS A 28 9.364 0.234 5.024 1.00 0.00 H new ATOM 0 HA LYS A 28 8.934 2.887 6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.152 0.759 6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.274 2.342 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.933 1.680 8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.437 0.043 8.059 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.571 0.150 10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.768 1.058 9.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.344 3.187 9.717 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.497 2.182 10.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.466 3.215 11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.649 1.527 11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.470 2.501 10.716 1.00 0.00 H new ATOM 471 N GLU A 29 10.921 3.914 5.051 1.00 0.00 N ATOM 472 CA GLU A 29 11.656 4.607 3.946 1.00 0.00 C ATOM 473 C GLU A 29 12.777 3.712 3.412 1.00 0.00 C ATOM 474 O GLU A 29 13.697 3.362 4.128 1.00 0.00 O ATOM 475 CB GLU A 29 12.239 5.873 4.577 1.00 0.00 C ATOM 476 CG GLU A 29 12.893 6.729 3.489 1.00 0.00 C ATOM 477 CD GLU A 29 14.065 7.508 4.086 1.00 0.00 C ATOM 478 OE1 GLU A 29 15.019 6.875 4.508 1.00 0.00 O ATOM 479 OE2 GLU A 29 13.990 8.726 4.110 1.00 0.00 O ATOM 0 H GLU A 29 10.940 4.394 5.951 1.00 0.00 H new ATOM 0 HA GLU A 29 11.003 4.838 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.453 6.439 5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.974 5.608 5.338 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.242 6.095 2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.162 7.419 3.066 1.00 0.00 H new ATOM 486 N GLY A 30 12.704 3.342 2.159 1.00 0.00 N ATOM 487 CA GLY A 30 13.761 2.469 1.567 1.00 0.00 C ATOM 488 C GLY A 30 13.407 1.002 1.814 1.00 0.00 C ATOM 489 O GLY A 30 14.137 0.281 2.469 1.00 0.00 O ATOM 0 H GLY A 30 11.956 3.608 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.847 2.658 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.729 2.700 2.011 1.00 0.00 H new ATOM 493 N ASP A 31 12.292 0.555 1.292 1.00 0.00 N ATOM 494 CA ASP A 31 11.881 -0.867 1.491 1.00 0.00 C ATOM 495 C ASP A 31 11.422 -1.474 0.163 1.00 0.00 C ATOM 496 O ASP A 31 10.725 -0.842 -0.609 1.00 0.00 O ATOM 497 CB ASP A 31 10.721 -0.808 2.484 1.00 0.00 C ATOM 498 CG ASP A 31 11.270 -0.818 3.913 1.00 0.00 C ATOM 499 OD1 ASP A 31 12.296 -0.196 4.136 1.00 0.00 O ATOM 500 OD2 ASP A 31 10.654 -1.446 4.758 1.00 0.00 O ATOM 0 H ASP A 31 11.648 1.116 0.735 1.00 0.00 H new ATOM 0 HA ASP A 31 12.699 -1.487 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.131 0.093 2.316 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.056 -1.658 2.333 1.00 0.00 H new ATOM 505 N LEU A 32 11.810 -2.694 -0.107 1.00 0.00 N ATOM 506 CA LEU A 32 11.403 -3.349 -1.385 1.00 0.00 C ATOM 507 C LEU A 32 10.030 -4.011 -1.230 1.00 0.00 C ATOM 508 O LEU A 32 9.927 -5.163 -0.853 1.00 0.00 O ATOM 509 CB LEU A 32 12.480 -4.401 -1.653 1.00 0.00 C ATOM 510 CG LEU A 32 13.700 -3.729 -2.285 1.00 0.00 C ATOM 511 CD1 LEU A 32 14.683 -3.320 -1.186 1.00 0.00 C ATOM 512 CD2 LEU A 32 14.383 -4.710 -3.240 1.00 0.00 C ATOM 0 H LEU A 32 12.393 -3.266 0.505 1.00 0.00 H new ATOM 0 HA LEU A 32 11.318 -2.635 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.763 -4.893 -0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.092 -5.174 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 32 13.383 -2.844 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.553 -2.841 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.197 -2.623 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.001 -4.205 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.253 -4.233 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 32 14.700 -5.594 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.683 -5.003 -4.023 1.00 0.00 H new ATOM 524 N VAL A 33 8.979 -3.289 -1.526 1.00 0.00 N ATOM 525 CA VAL A 33 7.607 -3.868 -1.406 1.00 0.00 C ATOM 526 C VAL A 33 7.131 -4.364 -2.777 1.00 0.00 C ATOM 527 O VAL A 33 7.546 -3.859 -3.804 1.00 0.00 O ATOM 528 CB VAL A 33 6.725 -2.721 -0.890 1.00 0.00 C ATOM 529 CG1 VAL A 33 6.759 -1.540 -1.867 1.00 0.00 C ATOM 530 CG2 VAL A 33 5.281 -3.211 -0.739 1.00 0.00 C ATOM 0 H VAL A 33 9.012 -2.321 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 33 7.571 -4.724 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 33 7.107 -2.394 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.129 -0.735 -1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.783 -1.182 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.389 -1.862 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.657 -2.396 -0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.908 -3.548 -1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.250 -4.039 -0.030 1.00 0.00 H new ATOM 540 N LYS A 34 6.270 -5.351 -2.798 1.00 0.00 N ATOM 541 CA LYS A 34 5.773 -5.886 -4.101 1.00 0.00 C ATOM 542 C LYS A 34 4.243 -5.909 -4.126 1.00 0.00 C ATOM 543 O LYS A 34 3.597 -6.042 -3.105 1.00 0.00 O ATOM 544 CB LYS A 34 6.326 -7.309 -4.180 1.00 0.00 C ATOM 545 CG LYS A 34 7.636 -7.307 -4.972 1.00 0.00 C ATOM 546 CD LYS A 34 8.815 -7.161 -4.006 1.00 0.00 C ATOM 547 CE LYS A 34 9.016 -8.468 -3.226 1.00 0.00 C ATOM 548 NZ LYS A 34 10.336 -8.992 -3.675 1.00 0.00 N ATOM 0 H LYS A 34 5.891 -5.809 -1.969 1.00 0.00 H new ATOM 0 HA LYS A 34 6.092 -5.271 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.496 -7.700 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.600 -7.966 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.731 -8.232 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.638 -6.488 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.721 -6.914 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.630 -6.339 -3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.008 -8.290 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.218 -9.179 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.540 -9.885 -3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.312 -9.159 -4.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.078 -8.298 -3.455 1.00 0.00 H new ATOM 562 N VAL A 35 3.665 -5.791 -5.293 1.00 0.00 N ATOM 563 CA VAL A 35 2.176 -5.815 -5.412 1.00 0.00 C ATOM 564 C VAL A 35 1.771 -6.906 -6.408 1.00 0.00 C ATOM 565 O VAL A 35 2.274 -6.953 -7.516 1.00 0.00 O ATOM 566 CB VAL A 35 1.791 -4.426 -5.934 1.00 0.00 C ATOM 567 CG1 VAL A 35 0.271 -4.340 -6.087 1.00 0.00 C ATOM 568 CG2 VAL A 35 2.258 -3.354 -4.943 1.00 0.00 C ATOM 0 H VAL A 35 4.164 -5.678 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 35 1.677 -6.033 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 35 2.268 -4.262 -6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.002 -3.352 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.067 -5.099 -6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.202 -4.508 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.983 -2.368 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.783 -3.521 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.341 -3.410 -4.830 1.00 0.00 H new ATOM 578 N THR A 36 0.884 -7.789 -6.021 1.00 0.00 N ATOM 579 CA THR A 36 0.470 -8.887 -6.949 1.00 0.00 C ATOM 580 C THR A 36 -1.054 -8.948 -7.097 1.00 0.00 C ATOM 581 O THR A 36 -1.794 -8.619 -6.190 1.00 0.00 O ATOM 582 CB THR A 36 0.996 -10.166 -6.296 1.00 0.00 C ATOM 583 OG1 THR A 36 0.645 -10.174 -4.919 1.00 0.00 O ATOM 584 CG2 THR A 36 2.518 -10.224 -6.437 1.00 0.00 C ATOM 0 H THR A 36 0.431 -7.798 -5.107 1.00 0.00 H new ATOM 0 HA THR A 36 0.865 -8.737 -7.954 1.00 0.00 H new ATOM 0 HB THR A 36 0.554 -11.033 -6.788 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.981 -10.994 -4.501 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.892 -11.136 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.786 -10.220 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.962 -9.358 -5.947 1.00 0.00 H new ATOM 592 N PHE A 37 -1.517 -9.385 -8.240 1.00 0.00 N ATOM 593 CA PHE A 37 -2.986 -9.497 -8.480 1.00 0.00 C ATOM 594 C PHE A 37 -3.285 -10.833 -9.173 1.00 0.00 C ATOM 595 O PHE A 37 -2.717 -11.143 -10.203 1.00 0.00 O ATOM 596 CB PHE A 37 -3.337 -8.315 -9.392 1.00 0.00 C ATOM 597 CG PHE A 37 -4.810 -8.345 -9.726 1.00 0.00 C ATOM 598 CD1 PHE A 37 -5.760 -8.379 -8.698 1.00 0.00 C ATOM 599 CD2 PHE A 37 -5.224 -8.340 -11.063 1.00 0.00 C ATOM 600 CE1 PHE A 37 -7.126 -8.407 -9.009 1.00 0.00 C ATOM 601 CE2 PHE A 37 -6.589 -8.368 -11.373 1.00 0.00 C ATOM 602 CZ PHE A 37 -7.540 -8.401 -10.346 1.00 0.00 C ATOM 0 H PHE A 37 -0.933 -9.672 -9.025 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.569 -9.471 -7.559 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.086 -7.376 -8.898 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.746 -8.362 -10.307 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.440 -8.384 -7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.491 -8.315 -11.855 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.860 -8.433 -8.217 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.908 -8.364 -12.405 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.593 -8.422 -10.585 1.00 0.00 H new ATOM 612 N ASP A 38 -4.163 -11.624 -8.611 1.00 0.00 N ATOM 613 CA ASP A 38 -4.491 -12.944 -9.230 1.00 0.00 C ATOM 614 C ASP A 38 -5.794 -12.853 -10.031 1.00 0.00 C ATOM 615 O ASP A 38 -6.395 -11.801 -10.137 1.00 0.00 O ATOM 616 CB ASP A 38 -4.656 -13.903 -8.051 1.00 0.00 C ATOM 617 CG ASP A 38 -3.279 -14.300 -7.519 1.00 0.00 C ATOM 618 OD1 ASP A 38 -2.524 -13.409 -7.163 1.00 0.00 O ATOM 619 OD2 ASP A 38 -3.002 -15.487 -7.475 1.00 0.00 O ATOM 0 H ASP A 38 -4.667 -11.413 -7.750 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.718 -13.274 -9.924 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.239 -13.429 -7.262 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.206 -14.790 -8.365 1.00 0.00 H new ATOM 624 N GLU A 39 -6.228 -13.952 -10.591 1.00 0.00 N ATOM 625 CA GLU A 39 -7.491 -13.948 -11.388 1.00 0.00 C ATOM 626 C GLU A 39 -8.472 -14.990 -10.842 1.00 0.00 C ATOM 627 O GLU A 39 -9.340 -15.466 -11.550 1.00 0.00 O ATOM 628 CB GLU A 39 -7.059 -14.310 -12.809 1.00 0.00 C ATOM 629 CG GLU A 39 -8.035 -13.695 -13.813 1.00 0.00 C ATOM 630 CD GLU A 39 -7.279 -13.291 -15.079 1.00 0.00 C ATOM 631 OE1 GLU A 39 -6.177 -12.782 -14.950 1.00 0.00 O ATOM 632 OE2 GLU A 39 -7.813 -13.497 -16.156 1.00 0.00 O ATOM 0 H GLU A 39 -5.760 -14.856 -10.530 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.001 -12.986 -11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.049 -13.945 -12.997 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.034 -15.393 -12.928 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.820 -14.411 -14.058 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.523 -12.824 -13.375 1.00 0.00 H new ATOM 639 N SER A 40 -8.342 -15.348 -9.588 1.00 0.00 N ATOM 640 CA SER A 40 -9.266 -16.357 -8.992 1.00 0.00 C ATOM 641 C SER A 40 -10.034 -15.739 -7.821 1.00 0.00 C ATOM 642 O SER A 40 -11.216 -15.974 -7.651 1.00 0.00 O ATOM 643 CB SER A 40 -8.357 -17.484 -8.502 1.00 0.00 C ATOM 644 OG SER A 40 -9.127 -18.423 -7.763 1.00 0.00 O ATOM 0 H SER A 40 -7.633 -14.983 -8.952 1.00 0.00 H new ATOM 0 HA SER A 40 -10.008 -16.714 -9.707 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.879 -17.975 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.560 -17.079 -7.878 1.00 0.00 H new ATOM 0 HG SER A 40 -8.546 -19.147 -7.449 1.00 0.00 H new ATOM 650 N GLU A 41 -9.370 -14.947 -7.018 1.00 0.00 N ATOM 651 CA GLU A 41 -10.052 -14.306 -5.856 1.00 0.00 C ATOM 652 C GLU A 41 -10.451 -12.869 -6.206 1.00 0.00 C ATOM 653 O GLU A 41 -11.579 -12.463 -6.003 1.00 0.00 O ATOM 654 CB GLU A 41 -9.016 -14.319 -4.731 1.00 0.00 C ATOM 655 CG GLU A 41 -9.010 -15.693 -4.055 1.00 0.00 C ATOM 656 CD GLU A 41 -7.580 -16.066 -3.664 1.00 0.00 C ATOM 657 OE1 GLU A 41 -6.847 -15.179 -3.258 1.00 0.00 O ATOM 658 OE2 GLU A 41 -7.242 -17.233 -3.775 1.00 0.00 O ATOM 0 H GLU A 41 -8.381 -14.717 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.965 -14.829 -5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.027 -14.095 -5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.248 -13.544 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.647 -15.677 -3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.421 -16.444 -4.730 1.00 0.00 H new ATOM 665 N GLY A 42 -9.531 -12.100 -6.733 1.00 0.00 N ATOM 666 CA GLY A 42 -9.849 -10.688 -7.103 1.00 0.00 C ATOM 667 C GLY A 42 -9.353 -9.745 -6.006 1.00 0.00 C ATOM 668 O GLY A 42 -10.041 -8.820 -5.614 1.00 0.00 O ATOM 0 H GLY A 42 -8.572 -12.390 -6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.378 -10.436 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.924 -10.570 -7.239 1.00 0.00 H new ATOM 672 N VAL A 43 -8.162 -9.970 -5.513 1.00 0.00 N ATOM 673 CA VAL A 43 -7.608 -9.086 -4.441 1.00 0.00 C ATOM 674 C VAL A 43 -6.111 -8.856 -4.672 1.00 0.00 C ATOM 675 O VAL A 43 -5.448 -9.651 -5.313 1.00 0.00 O ATOM 676 CB VAL A 43 -7.846 -9.840 -3.128 1.00 0.00 C ATOM 677 CG1 VAL A 43 -9.348 -10.041 -2.919 1.00 0.00 C ATOM 678 CG2 VAL A 43 -7.155 -11.209 -3.169 1.00 0.00 C ATOM 0 H VAL A 43 -7.547 -10.729 -5.807 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.083 -8.105 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.432 -9.255 -2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.517 -10.577 -1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.842 -9.071 -2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.757 -10.619 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.332 -11.734 -2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.558 -11.796 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.083 -11.071 -3.311 1.00 0.00 H new ATOM 688 N VAL A 44 -5.578 -7.778 -4.154 1.00 0.00 N ATOM 689 CA VAL A 44 -4.120 -7.500 -4.344 1.00 0.00 C ATOM 690 C VAL A 44 -3.365 -7.761 -3.039 1.00 0.00 C ATOM 691 O VAL A 44 -3.699 -7.222 -2.000 1.00 0.00 O ATOM 692 CB VAL A 44 -4.025 -6.019 -4.734 1.00 0.00 C ATOM 693 CG1 VAL A 44 -2.564 -5.666 -5.031 1.00 0.00 C ATOM 694 CG2 VAL A 44 -4.877 -5.750 -5.983 1.00 0.00 C ATOM 0 H VAL A 44 -6.086 -7.081 -3.610 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.679 -8.141 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.393 -5.407 -3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.493 -4.614 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.958 -5.849 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.200 -6.283 -5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.804 -4.697 -6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.515 -6.362 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.917 -6.000 -5.775 1.00 0.00 H new ATOM 704 N LYS A 45 -2.353 -8.588 -3.089 1.00 0.00 N ATOM 705 CA LYS A 45 -1.568 -8.899 -1.857 1.00 0.00 C ATOM 706 C LYS A 45 -0.191 -8.234 -1.924 1.00 0.00 C ATOM 707 O LYS A 45 0.532 -8.382 -2.893 1.00 0.00 O ATOM 708 CB LYS A 45 -1.432 -10.422 -1.856 1.00 0.00 C ATOM 709 CG LYS A 45 -1.175 -10.914 -0.432 1.00 0.00 C ATOM 710 CD LYS A 45 -1.631 -12.369 -0.305 1.00 0.00 C ATOM 711 CE LYS A 45 -0.480 -13.298 -0.698 1.00 0.00 C ATOM 712 NZ LYS A 45 -1.123 -14.409 -1.454 1.00 0.00 N ATOM 0 H LYS A 45 -2.035 -9.063 -3.934 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.051 -8.531 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.340 -10.878 -2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.613 -10.724 -2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.115 -10.832 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.712 -10.290 0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.946 -12.575 0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.494 -12.549 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.256 -12.777 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.044 -13.671 0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.396 -15.088 -1.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.813 -14.890 -0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.609 -14.025 -2.290 1.00 0.00 H new ATOM 726 N ILE A 46 0.176 -7.503 -0.901 1.00 0.00 N ATOM 727 CA ILE A 46 1.508 -6.825 -0.896 1.00 0.00 C ATOM 728 C ILE A 46 2.379 -7.370 0.240 1.00 0.00 C ATOM 729 O ILE A 46 1.881 -7.842 1.243 1.00 0.00 O ATOM 730 CB ILE A 46 1.209 -5.337 -0.684 1.00 0.00 C ATOM 731 CG1 ILE A 46 0.432 -5.137 0.620 1.00 0.00 C ATOM 732 CG2 ILE A 46 0.374 -4.811 -1.852 1.00 0.00 C ATOM 733 CD1 ILE A 46 0.546 -3.678 1.067 1.00 0.00 C ATOM 0 H ILE A 46 -0.391 -7.347 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 46 2.055 -6.996 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 46 2.151 -4.792 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.615 -5.403 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.825 -5.797 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.162 -3.753 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.927 -4.940 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.563 -5.365 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.008 -3.538 1.995 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.595 -3.428 1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.132 -3.028 0.296 1.00 0.00 H new ATOM 745 N GLN A 47 3.678 -7.306 0.084 1.00 0.00 N ATOM 746 CA GLN A 47 4.594 -7.818 1.149 1.00 0.00 C ATOM 747 C GLN A 47 5.963 -7.141 1.047 1.00 0.00 C ATOM 748 O GLN A 47 6.304 -6.558 0.035 1.00 0.00 O ATOM 749 CB GLN A 47 4.716 -9.317 0.873 1.00 0.00 C ATOM 750 CG GLN A 47 5.421 -10.006 2.048 1.00 0.00 C ATOM 751 CD GLN A 47 6.890 -10.255 1.695 1.00 0.00 C ATOM 752 OE1 GLN A 47 7.509 -9.456 1.019 1.00 0.00 O ATOM 753 NE2 GLN A 47 7.477 -11.338 2.126 1.00 0.00 N ATOM 0 H GLN A 47 4.144 -6.920 -0.737 1.00 0.00 H new ATOM 0 HA GLN A 47 4.216 -7.614 2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.727 -9.751 0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.277 -9.482 -0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.352 -9.385 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.927 -10.950 2.278 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.958 -12.008 2.693 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.455 -11.514 1.896 1.00 0.00 H new ATOM 762 N LEU A 48 6.747 -7.216 2.092 1.00 0.00 N ATOM 763 CA LEU A 48 8.099 -6.581 2.071 1.00 0.00 C ATOM 764 C LEU A 48 9.185 -7.645 2.256 1.00 0.00 C ATOM 765 O LEU A 48 9.972 -7.903 1.364 1.00 0.00 O ATOM 766 CB LEU A 48 8.098 -5.603 3.251 1.00 0.00 C ATOM 767 CG LEU A 48 7.971 -4.168 2.735 1.00 0.00 C ATOM 768 CD1 LEU A 48 6.492 -3.792 2.625 1.00 0.00 C ATOM 769 CD2 LEU A 48 8.667 -3.216 3.710 1.00 0.00 C ATOM 0 H LEU A 48 6.508 -7.692 2.962 1.00 0.00 H new ATOM 0 HA LEU A 48 8.304 -6.078 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.272 -5.832 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.017 -5.712 3.826 1.00 0.00 H new ATOM 0 HG LEU A 48 8.438 -4.092 1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.403 -2.770 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.994 -4.471 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.024 -3.867 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.578 -2.193 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.198 -3.293 4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.721 -3.483 3.789 1.00 0.00 H new ATOM 899 N ALA B 2 -1.361 -14.299 -13.843 1.00 0.00 N ATOM 900 CA ALA B 2 -1.290 -13.334 -12.706 1.00 0.00 C ATOM 901 C ALA B 2 -0.378 -12.157 -13.066 1.00 0.00 C ATOM 902 O ALA B 2 0.618 -12.320 -13.744 1.00 0.00 O ATOM 903 CB ALA B 2 -0.702 -14.133 -11.541 1.00 0.00 C ATOM 0 HA ALA B 2 -2.266 -12.915 -12.460 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -0.618 -13.490 -10.665 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -1.354 -14.976 -11.312 1.00 0.00 H new ATOM 0 HB3 ALA B 2 0.286 -14.503 -11.815 1.00 0.00 H new ATOM 911 N VAL B 3 -0.716 -10.975 -12.616 1.00 0.00 N ATOM 912 CA VAL B 3 0.126 -9.780 -12.929 1.00 0.00 C ATOM 913 C VAL B 3 0.898 -9.340 -11.680 1.00 0.00 C ATOM 914 O VAL B 3 0.319 -8.881 -10.712 1.00 0.00 O ATOM 915 CB VAL B 3 -0.865 -8.695 -13.366 1.00 0.00 C ATOM 916 CG1 VAL B 3 -0.108 -7.411 -13.716 1.00 0.00 C ATOM 917 CG2 VAL B 3 -1.637 -9.174 -14.599 1.00 0.00 C ATOM 0 H VAL B 3 -1.540 -10.786 -12.045 1.00 0.00 H new ATOM 0 HA VAL B 3 0.865 -9.985 -13.703 1.00 0.00 H new ATOM 0 HB VAL B 3 -1.559 -8.497 -12.550 1.00 0.00 H new ATOM 0 HG11 VAL B 3 -0.817 -6.643 -14.026 1.00 0.00 H new ATOM 0 HG12 VAL B 3 0.443 -7.064 -12.842 1.00 0.00 H new ATOM 0 HG13 VAL B 3 0.590 -7.610 -14.530 1.00 0.00 H new ATOM 0 HG21 VAL B 3 -2.342 -8.402 -14.910 1.00 0.00 H new ATOM 0 HG22 VAL B 3 -0.938 -9.375 -15.411 1.00 0.00 H new ATOM 0 HG23 VAL B 3 -2.182 -10.086 -14.355 1.00 0.00 H new ATOM 927 N GLU B 4 2.200 -9.475 -11.698 1.00 0.00 N ATOM 928 CA GLU B 4 3.019 -9.065 -10.519 1.00 0.00 C ATOM 929 C GLU B 4 3.690 -7.716 -10.790 1.00 0.00 C ATOM 930 O GLU B 4 3.822 -7.298 -11.927 1.00 0.00 O ATOM 931 CB GLU B 4 4.068 -10.167 -10.361 1.00 0.00 C ATOM 932 CG GLU B 4 3.380 -11.488 -9.999 1.00 0.00 C ATOM 933 CD GLU B 4 3.262 -12.367 -11.247 1.00 0.00 C ATOM 934 OE1 GLU B 4 4.200 -12.384 -12.027 1.00 0.00 O ATOM 935 OE2 GLU B 4 2.236 -13.009 -11.400 1.00 0.00 O ATOM 0 H GLU B 4 2.732 -9.853 -12.482 1.00 0.00 H new ATOM 0 HA GLU B 4 2.418 -8.946 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.632 -10.281 -11.287 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.783 -9.893 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.951 -12.007 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU B 4 2.391 -11.293 -9.585 1.00 0.00 H new ATOM 942 N GLU B 5 4.112 -7.034 -9.757 1.00 0.00 N ATOM 943 CA GLU B 5 4.775 -5.710 -9.949 1.00 0.00 C ATOM 944 C GLU B 5 5.766 -5.439 -8.814 1.00 0.00 C ATOM 945 O GLU B 5 5.576 -5.877 -7.695 1.00 0.00 O ATOM 946 CB GLU B 5 3.635 -4.690 -9.924 1.00 0.00 C ATOM 947 CG GLU B 5 3.898 -3.602 -10.968 1.00 0.00 C ATOM 948 CD GLU B 5 4.753 -2.496 -10.348 1.00 0.00 C ATOM 949 OE1 GLU B 5 4.241 -1.784 -9.499 1.00 0.00 O ATOM 950 OE2 GLU B 5 5.905 -2.379 -10.732 1.00 0.00 O ATOM 0 H GLU B 5 4.026 -7.338 -8.787 1.00 0.00 H new ATOM 0 HA GLU B 5 5.343 -5.665 -10.878 1.00 0.00 H new ATOM 0 HB2 GLU B 5 2.686 -5.185 -10.131 1.00 0.00 H new ATOM 0 HB3 GLU B 5 3.553 -4.245 -8.932 1.00 0.00 H new ATOM 0 HG2 GLU B 5 4.407 -4.028 -11.833 1.00 0.00 H new ATOM 0 HG3 GLU B 5 2.954 -3.190 -11.325 1.00 0.00 H new ATOM 957 N ILE B 6 6.824 -4.724 -9.101 1.00 0.00 N ATOM 958 CA ILE B 6 7.841 -4.420 -8.047 1.00 0.00 C ATOM 959 C ILE B 6 7.965 -2.903 -7.869 1.00 0.00 C ATOM 960 O ILE B 6 7.803 -2.145 -8.807 1.00 0.00 O ATOM 961 CB ILE B 6 9.152 -5.013 -8.578 1.00 0.00 C ATOM 962 CG1 ILE B 6 8.994 -6.525 -8.780 1.00 0.00 C ATOM 963 CG2 ILE B 6 10.280 -4.758 -7.574 1.00 0.00 C ATOM 964 CD1 ILE B 6 9.940 -6.992 -9.888 1.00 0.00 C ATOM 0 H ILE B 6 7.029 -4.336 -10.022 1.00 0.00 H new ATOM 0 HA ILE B 6 7.575 -4.836 -7.075 1.00 0.00 H new ATOM 0 HB ILE B 6 9.394 -4.540 -9.530 1.00 0.00 H new ATOM 0 HG12 ILE B 6 9.215 -7.052 -7.852 1.00 0.00 H new ATOM 0 HG13 ILE B 6 7.963 -6.762 -9.043 1.00 0.00 H new ATOM 0 HG21 ILE B 6 11.209 -5.181 -7.956 1.00 0.00 H new ATOM 0 HG22 ILE B 6 10.402 -3.685 -7.429 1.00 0.00 H new ATOM 0 HG23 ILE B 6 10.032 -5.227 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE B 6 9.829 -8.067 -10.033 1.00 0.00 H new ATOM 0 HD12 ILE B 6 9.697 -6.474 -10.816 1.00 0.00 H new ATOM 0 HD13 ILE B 6 10.969 -6.769 -9.606 1.00 0.00 H new ATOM 976 N VAL B 7 8.251 -2.456 -6.671 1.00 0.00 N ATOM 977 CA VAL B 7 8.387 -0.987 -6.427 1.00 0.00 C ATOM 978 C VAL B 7 9.003 -0.730 -5.044 1.00 0.00 C ATOM 979 O VAL B 7 9.007 -1.595 -4.189 1.00 0.00 O ATOM 980 CB VAL B 7 6.956 -0.438 -6.505 1.00 0.00 C ATOM 981 CG1 VAL B 7 6.083 -1.092 -5.428 1.00 0.00 C ATOM 982 CG2 VAL B 7 6.977 1.078 -6.294 1.00 0.00 C ATOM 0 H VAL B 7 8.396 -3.045 -5.851 1.00 0.00 H new ATOM 0 HA VAL B 7 9.043 -0.505 -7.151 1.00 0.00 H new ATOM 0 HB VAL B 7 6.541 -0.665 -7.487 1.00 0.00 H new ATOM 0 HG11 VAL B 7 5.069 -0.696 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL B 7 6.061 -2.171 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL B 7 6.496 -0.875 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL B 7 5.960 1.467 -6.350 1.00 0.00 H new ATOM 0 HG22 VAL B 7 7.399 1.303 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL B 7 7.587 1.545 -7.068 1.00 0.00 H new ATOM 992 N LYS B 8 9.521 0.452 -4.826 1.00 0.00 N ATOM 993 CA LYS B 8 10.139 0.774 -3.503 1.00 0.00 C ATOM 994 C LYS B 8 9.279 1.795 -2.753 1.00 0.00 C ATOM 995 O LYS B 8 8.175 2.103 -3.157 1.00 0.00 O ATOM 996 CB LYS B 8 11.513 1.362 -3.840 1.00 0.00 C ATOM 997 CG LYS B 8 12.568 0.784 -2.894 1.00 0.00 C ATOM 998 CD LYS B 8 13.938 0.814 -3.575 1.00 0.00 C ATOM 999 CE LYS B 8 14.598 2.174 -3.336 1.00 0.00 C ATOM 1000 NZ LYS B 8 16.062 1.907 -3.396 1.00 0.00 N ATOM 0 H LYS B 8 9.543 1.210 -5.508 1.00 0.00 H new ATOM 0 HA LYS B 8 10.221 -0.101 -2.859 1.00 0.00 H new ATOM 0 HB2 LYS B 8 11.773 1.134 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS B 8 11.486 2.448 -3.750 1.00 0.00 H new ATOM 0 HG2 LYS B 8 12.597 1.361 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS B 8 12.307 -0.239 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS B 8 14.569 0.017 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS B 8 13.828 0.634 -4.644 1.00 0.00 H new ATOM 0 HE2 LYS B 8 14.297 2.897 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS B 8 14.311 2.587 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 16.583 2.794 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 16.320 1.220 -2.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 16.306 1.521 -4.330 1.00 0.00 H new ATOM 1014 N VAL B 9 9.780 2.321 -1.661 1.00 0.00 N ATOM 1015 CA VAL B 9 8.995 3.323 -0.876 1.00 0.00 C ATOM 1016 C VAL B 9 9.629 4.712 -1.011 1.00 0.00 C ATOM 1017 O VAL B 9 10.806 4.839 -1.290 1.00 0.00 O ATOM 1018 CB VAL B 9 9.060 2.836 0.576 1.00 0.00 C ATOM 1019 CG1 VAL B 9 8.260 3.785 1.472 1.00 0.00 C ATOM 1020 CG2 VAL B 9 8.464 1.429 0.675 1.00 0.00 C ATOM 0 H VAL B 9 10.700 2.099 -1.280 1.00 0.00 H new ATOM 0 HA VAL B 9 7.966 3.409 -1.226 1.00 0.00 H new ATOM 0 HB VAL B 9 10.100 2.816 0.900 1.00 0.00 H new ATOM 0 HG11 VAL B 9 8.307 3.437 2.504 1.00 0.00 H new ATOM 0 HG12 VAL B 9 8.681 4.788 1.407 1.00 0.00 H new ATOM 0 HG13 VAL B 9 7.221 3.806 1.143 1.00 0.00 H new ATOM 0 HG21 VAL B 9 8.512 1.086 1.708 1.00 0.00 H new ATOM 0 HG22 VAL B 9 7.425 1.450 0.347 1.00 0.00 H new ATOM 0 HG23 VAL B 9 9.031 0.748 0.040 1.00 0.00 H new ATOM 1030 N SER B 10 8.856 5.752 -0.815 1.00 0.00 N ATOM 1031 CA SER B 10 9.411 7.136 -0.931 1.00 0.00 C ATOM 1032 C SER B 10 8.406 8.162 -0.399 1.00 0.00 C ATOM 1033 O SER B 10 7.346 7.815 0.087 1.00 0.00 O ATOM 1034 CB SER B 10 9.643 7.345 -2.427 1.00 0.00 C ATOM 1035 OG SER B 10 8.390 7.491 -3.081 1.00 0.00 O ATOM 0 H SER B 10 7.865 5.702 -0.580 1.00 0.00 H new ATOM 0 HA SER B 10 10.326 7.260 -0.352 1.00 0.00 H new ATOM 0 HB2 SER B 10 10.257 8.230 -2.591 1.00 0.00 H new ATOM 0 HB3 SER B 10 10.187 6.498 -2.844 1.00 0.00 H new ATOM 0 HG SER B 10 8.536 7.627 -4.041 1.00 0.00 H new ATOM 1041 N ARG B 11 8.734 9.429 -0.493 1.00 0.00 N ATOM 1042 CA ARG B 11 7.811 10.505 -0.001 1.00 0.00 C ATOM 1043 C ARG B 11 7.396 10.244 1.454 1.00 0.00 C ATOM 1044 O ARG B 11 8.077 9.548 2.184 1.00 0.00 O ATOM 1045 CB ARG B 11 6.590 10.451 -0.932 1.00 0.00 C ATOM 1046 CG ARG B 11 6.236 11.865 -1.407 1.00 0.00 C ATOM 1047 CD ARG B 11 6.854 12.117 -2.786 1.00 0.00 C ATOM 1048 NE ARG B 11 8.057 12.968 -2.527 1.00 0.00 N ATOM 1049 CZ ARG B 11 9.028 13.075 -3.415 1.00 0.00 C ATOM 1050 NH1 ARG B 11 8.978 12.449 -4.569 1.00 0.00 N ATOM 1051 NH2 ARG B 11 10.061 13.822 -3.140 1.00 0.00 N ATOM 0 H ARG B 11 9.609 9.768 -0.893 1.00 0.00 H new ATOM 0 HA ARG B 11 8.289 11.485 -0.016 1.00 0.00 H new ATOM 0 HB2 ARG B 11 6.803 9.812 -1.789 1.00 0.00 H new ATOM 0 HB3 ARG B 11 5.741 10.010 -0.409 1.00 0.00 H new ATOM 0 HG2 ARG B 11 5.153 11.982 -1.456 1.00 0.00 H new ATOM 0 HG3 ARG B 11 6.604 12.602 -0.693 1.00 0.00 H new ATOM 0 HD2 ARG B 11 7.131 11.181 -3.270 1.00 0.00 H new ATOM 0 HD3 ARG B 11 6.149 12.622 -3.447 1.00 0.00 H new ATOM 0 HE ARG B 11 8.128 13.476 -1.646 1.00 0.00 H new ATOM 0 HH11 ARG B 11 8.175 11.863 -4.797 1.00 0.00 H new ATOM 0 HH12 ARG B 11 9.742 12.549 -5.237 1.00 0.00 H new ATOM 0 HH21 ARG B 11 10.111 14.314 -2.248 1.00 0.00 H new ATOM 0 HH22 ARG B 11 10.819 13.914 -3.817 1.00 0.00 H new ATOM 1065 N ASN B 12 6.287 10.800 1.874 1.00 0.00 N ATOM 1066 CA ASN B 12 5.823 10.591 3.278 1.00 0.00 C ATOM 1067 C ASN B 12 4.959 9.329 3.368 1.00 0.00 C ATOM 1068 O ASN B 12 3.777 9.392 3.650 1.00 0.00 O ATOM 1069 CB ASN B 12 4.998 11.837 3.610 1.00 0.00 C ATOM 1070 CG ASN B 12 5.148 12.173 5.096 1.00 0.00 C ATOM 1071 OD1 ASN B 12 6.215 12.547 5.542 1.00 0.00 O ATOM 1072 ND2 ASN B 12 4.115 12.058 5.886 1.00 0.00 N ATOM 0 H ASN B 12 5.682 11.391 1.303 1.00 0.00 H new ATOM 0 HA ASN B 12 6.652 10.455 3.973 1.00 0.00 H new ATOM 0 HB2 ASN B 12 5.330 12.678 3.002 1.00 0.00 H new ATOM 0 HB3 ASN B 12 3.949 11.665 3.370 1.00 0.00 H new ATOM 0 HD21 ASN B 12 4.204 12.282 6.877 1.00 0.00 H new ATOM 0 HD22 ASN B 12 3.219 11.744 5.512 1.00 0.00 H new ATOM 1079 N TYR B 13 5.545 8.179 3.133 1.00 0.00 N ATOM 1080 CA TYR B 13 4.776 6.892 3.204 1.00 0.00 C ATOM 1081 C TYR B 13 3.527 6.946 2.316 1.00 0.00 C ATOM 1082 O TYR B 13 2.514 6.347 2.621 1.00 0.00 O ATOM 1083 CB TYR B 13 4.383 6.730 4.676 1.00 0.00 C ATOM 1084 CG TYR B 13 5.614 6.414 5.489 1.00 0.00 C ATOM 1085 CD1 TYR B 13 6.391 7.452 6.016 1.00 0.00 C ATOM 1086 CD2 TYR B 13 5.980 5.081 5.715 1.00 0.00 C ATOM 1087 CE1 TYR B 13 7.535 7.158 6.767 1.00 0.00 C ATOM 1088 CE2 TYR B 13 7.123 4.788 6.467 1.00 0.00 C ATOM 1089 CZ TYR B 13 7.901 5.826 6.994 1.00 0.00 C ATOM 1090 OH TYR B 13 9.029 5.537 7.734 1.00 0.00 O ATOM 0 H TYR B 13 6.531 8.075 2.893 1.00 0.00 H new ATOM 0 HA TYR B 13 5.372 6.052 2.847 1.00 0.00 H new ATOM 0 HB2 TYR B 13 3.916 7.644 5.042 1.00 0.00 H new ATOM 0 HB3 TYR B 13 3.648 5.932 4.782 1.00 0.00 H new ATOM 0 HD1 TYR B 13 6.108 8.480 5.843 1.00 0.00 H new ATOM 0 HD2 TYR B 13 5.380 4.280 5.309 1.00 0.00 H new ATOM 0 HE1 TYR B 13 8.136 7.959 7.172 1.00 0.00 H new ATOM 0 HE2 TYR B 13 7.405 3.760 6.641 1.00 0.00 H new ATOM 0 HH TYR B 13 9.139 4.565 7.797 1.00 0.00 H new ATOM 1100 N GLN B 14 3.600 7.653 1.217 1.00 0.00 N ATOM 1101 CA GLN B 14 2.425 7.742 0.300 1.00 0.00 C ATOM 1102 C GLN B 14 2.402 6.526 -0.632 1.00 0.00 C ATOM 1103 O GLN B 14 3.433 5.960 -0.947 1.00 0.00 O ATOM 1104 CB GLN B 14 2.640 9.027 -0.502 1.00 0.00 C ATOM 1105 CG GLN B 14 2.022 10.210 0.247 1.00 0.00 C ATOM 1106 CD GLN B 14 0.498 10.071 0.259 1.00 0.00 C ATOM 1107 OE1 GLN B 14 -0.102 9.929 1.306 1.00 0.00 O ATOM 1108 NE2 GLN B 14 -0.156 10.104 -0.869 1.00 0.00 N ATOM 0 H GLN B 14 4.424 8.173 0.915 1.00 0.00 H new ATOM 0 HA GLN B 14 1.477 7.756 0.838 1.00 0.00 H new ATOM 0 HB2 GLN B 14 3.706 9.198 -0.656 1.00 0.00 H new ATOM 0 HB3 GLN B 14 2.187 8.932 -1.489 1.00 0.00 H new ATOM 0 HG2 GLN B 14 2.402 10.245 1.268 1.00 0.00 H new ATOM 0 HG3 GLN B 14 2.308 11.146 -0.232 1.00 0.00 H new ATOM 0 HE21 GLN B 14 0.348 10.223 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -1.172 10.011 -0.873 1.00 0.00 H new ATOM 1117 N VAL B 15 1.238 6.123 -1.074 1.00 0.00 N ATOM 1118 CA VAL B 15 1.150 4.943 -1.989 1.00 0.00 C ATOM 1119 C VAL B 15 0.425 5.333 -3.280 1.00 0.00 C ATOM 1120 O VAL B 15 -0.547 6.065 -3.261 1.00 0.00 O ATOM 1121 CB VAL B 15 0.352 3.885 -1.216 1.00 0.00 C ATOM 1122 CG1 VAL B 15 0.240 2.613 -2.060 1.00 0.00 C ATOM 1123 CG2 VAL B 15 1.068 3.554 0.097 1.00 0.00 C ATOM 0 H VAL B 15 0.345 6.559 -0.842 1.00 0.00 H new ATOM 0 HA VAL B 15 2.134 4.571 -2.276 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.643 4.274 -1.000 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.327 1.861 -1.511 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -0.271 2.841 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL B 15 1.238 2.230 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL B 15 0.498 2.802 0.643 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.064 3.168 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.152 4.456 0.703 1.00 0.00 H new ATOM 1133 N THR B 16 0.893 4.845 -4.398 1.00 0.00 N ATOM 1134 CA THR B 16 0.244 5.174 -5.702 1.00 0.00 C ATOM 1135 C THR B 16 0.310 3.964 -6.638 1.00 0.00 C ATOM 1136 O THR B 16 1.368 3.588 -7.107 1.00 0.00 O ATOM 1137 CB THR B 16 1.045 6.353 -6.270 1.00 0.00 C ATOM 1138 OG1 THR B 16 0.518 6.708 -7.541 1.00 0.00 O ATOM 1139 CG2 THR B 16 2.522 5.971 -6.421 1.00 0.00 C ATOM 0 H THR B 16 1.703 4.228 -4.465 1.00 0.00 H new ATOM 0 HA THR B 16 -0.810 5.429 -5.588 1.00 0.00 H new ATOM 0 HB THR B 16 0.967 7.197 -5.585 1.00 0.00 H new ATOM 0 HG1 THR B 16 1.026 7.462 -7.907 1.00 0.00 H new ATOM 0 HG21 THR B 16 3.077 6.817 -6.825 1.00 0.00 H new ATOM 0 HG22 THR B 16 2.930 5.701 -5.447 1.00 0.00 H new ATOM 0 HG23 THR B 16 2.611 5.122 -7.099 1.00 0.00 H new ATOM 1147 N ILE B 17 -0.814 3.349 -6.907 1.00 0.00 N ATOM 1148 CA ILE B 17 -0.823 2.155 -7.808 1.00 0.00 C ATOM 1149 C ILE B 17 -0.557 2.589 -9.263 1.00 0.00 C ATOM 1150 O ILE B 17 -1.025 3.629 -9.683 1.00 0.00 O ATOM 1151 CB ILE B 17 -2.226 1.552 -7.667 1.00 0.00 C ATOM 1152 CG1 ILE B 17 -2.464 1.154 -6.207 1.00 0.00 C ATOM 1153 CG2 ILE B 17 -2.347 0.310 -8.554 1.00 0.00 C ATOM 1154 CD1 ILE B 17 -3.925 0.736 -6.019 1.00 0.00 C ATOM 0 H ILE B 17 -1.726 3.622 -6.542 1.00 0.00 H new ATOM 0 HA ILE B 17 -0.049 1.433 -7.546 1.00 0.00 H new ATOM 0 HB ILE B 17 -2.967 2.290 -7.974 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -1.802 0.333 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -2.227 1.990 -5.549 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.345 -0.115 -8.451 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -2.177 0.588 -9.594 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -1.605 -0.428 -8.250 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -4.092 0.453 -4.980 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -4.578 1.569 -6.278 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.147 -0.113 -6.666 1.00 0.00 H new ATOM 1166 N PRO B 18 0.188 1.782 -9.992 1.00 0.00 N ATOM 1167 CA PRO B 18 0.498 2.123 -11.405 1.00 0.00 C ATOM 1168 C PRO B 18 -0.762 2.017 -12.269 1.00 0.00 C ATOM 1169 O PRO B 18 -1.829 1.687 -11.786 1.00 0.00 O ATOM 1170 CB PRO B 18 1.527 1.074 -11.825 1.00 0.00 C ATOM 1171 CG PRO B 18 1.346 -0.065 -10.872 1.00 0.00 C ATOM 1172 CD PRO B 18 0.805 0.507 -9.590 1.00 0.00 C ATOM 0 HA PRO B 18 0.868 3.142 -11.521 1.00 0.00 H new ATOM 0 HB2 PRO B 18 1.364 0.754 -12.854 1.00 0.00 H new ATOM 0 HB3 PRO B 18 2.540 1.474 -11.772 1.00 0.00 H new ATOM 0 HG2 PRO B 18 0.659 -0.805 -11.283 1.00 0.00 H new ATOM 0 HG3 PRO B 18 2.294 -0.574 -10.696 1.00 0.00 H new ATOM 0 HD2 PRO B 18 0.075 -0.161 -9.133 1.00 0.00 H new ATOM 0 HD3 PRO B 18 1.598 0.662 -8.858 1.00 0.00 H new ATOM 1180 N ALA B 19 -0.642 2.291 -13.544 1.00 0.00 N ATOM 1181 CA ALA B 19 -1.827 2.206 -14.449 1.00 0.00 C ATOM 1182 C ALA B 19 -2.101 0.746 -14.822 1.00 0.00 C ATOM 1183 O ALA B 19 -3.231 0.358 -15.053 1.00 0.00 O ATOM 1184 CB ALA B 19 -1.444 3.017 -15.689 1.00 0.00 C ATOM 0 H ALA B 19 0.228 2.570 -13.997 1.00 0.00 H new ATOM 0 HA ALA B 19 -2.733 2.590 -13.980 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -2.268 3.001 -16.403 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -1.234 4.047 -15.400 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -0.557 2.581 -16.149 1.00 0.00 H new ATOM 1190 N LYS B 20 -1.072 -0.064 -14.877 1.00 0.00 N ATOM 1191 CA LYS B 20 -1.266 -1.507 -15.232 1.00 0.00 C ATOM 1192 C LYS B 20 -2.178 -2.180 -14.204 1.00 0.00 C ATOM 1193 O LYS B 20 -3.150 -2.823 -14.554 1.00 0.00 O ATOM 1194 CB LYS B 20 0.134 -2.125 -15.194 1.00 0.00 C ATOM 1195 CG LYS B 20 0.925 -1.668 -16.419 1.00 0.00 C ATOM 1196 CD LYS B 20 2.343 -2.241 -16.358 1.00 0.00 C ATOM 1197 CE LYS B 20 3.194 -1.617 -17.466 1.00 0.00 C ATOM 1198 NZ LYS B 20 4.504 -2.322 -17.385 1.00 0.00 N ATOM 0 H LYS B 20 -0.107 0.210 -14.692 1.00 0.00 H new ATOM 0 HA LYS B 20 -1.734 -1.632 -16.208 1.00 0.00 H new ATOM 0 HB2 LYS B 20 0.651 -1.826 -14.282 1.00 0.00 H new ATOM 0 HB3 LYS B 20 0.063 -3.213 -15.178 1.00 0.00 H new ATOM 0 HG2 LYS B 20 0.427 -1.999 -17.330 1.00 0.00 H new ATOM 0 HG3 LYS B 20 0.963 -0.579 -16.454 1.00 0.00 H new ATOM 0 HD2 LYS B 20 2.788 -2.036 -15.384 1.00 0.00 H new ATOM 0 HD3 LYS B 20 2.314 -3.324 -16.474 1.00 0.00 H new ATOM 0 HE2 LYS B 20 2.732 -1.753 -18.444 1.00 0.00 H new ATOM 0 HE3 LYS B 20 3.313 -0.544 -17.316 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 5.144 -1.949 -18.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 4.923 -2.169 -16.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 4.360 -3.341 -17.538 1.00 0.00 H new ATOM 1212 N VAL B 21 -1.876 -2.024 -12.940 1.00 0.00 N ATOM 1213 CA VAL B 21 -2.730 -2.643 -11.881 1.00 0.00 C ATOM 1214 C VAL B 21 -4.101 -1.965 -11.878 1.00 0.00 C ATOM 1215 O VAL B 21 -5.118 -2.599 -11.665 1.00 0.00 O ATOM 1216 CB VAL B 21 -1.992 -2.391 -10.561 1.00 0.00 C ATOM 1217 CG1 VAL B 21 -2.791 -2.993 -9.401 1.00 0.00 C ATOM 1218 CG2 VAL B 21 -0.609 -3.046 -10.614 1.00 0.00 C ATOM 0 H VAL B 21 -1.075 -1.495 -12.595 1.00 0.00 H new ATOM 0 HA VAL B 21 -2.893 -3.709 -12.042 1.00 0.00 H new ATOM 0 HB VAL B 21 -1.883 -1.317 -10.410 1.00 0.00 H new ATOM 0 HG11 VAL B 21 -2.264 -2.812 -8.464 1.00 0.00 H new ATOM 0 HG12 VAL B 21 -3.776 -2.529 -9.358 1.00 0.00 H new ATOM 0 HG13 VAL B 21 -2.902 -4.067 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.085 -2.866 -9.675 1.00 0.00 H new ATOM 0 HG22 VAL B 21 -0.720 -4.119 -10.768 1.00 0.00 H new ATOM 0 HG23 VAL B 21 -0.036 -2.619 -11.437 1.00 0.00 H new ATOM 1228 N ARG B 22 -4.132 -0.678 -12.125 1.00 0.00 N ATOM 1229 CA ARG B 22 -5.434 0.052 -12.151 1.00 0.00 C ATOM 1230 C ARG B 22 -6.297 -0.480 -13.295 1.00 0.00 C ATOM 1231 O ARG B 22 -7.510 -0.517 -13.205 1.00 0.00 O ATOM 1232 CB ARG B 22 -5.070 1.521 -12.389 1.00 0.00 C ATOM 1233 CG ARG B 22 -6.304 2.397 -12.159 1.00 0.00 C ATOM 1234 CD ARG B 22 -6.435 2.716 -10.667 1.00 0.00 C ATOM 1235 NE ARG B 22 -5.285 3.622 -10.360 1.00 0.00 N ATOM 1236 CZ ARG B 22 -4.821 3.756 -9.132 1.00 0.00 C ATOM 1237 NH1 ARG B 22 -5.377 3.138 -8.114 1.00 0.00 N ATOM 1238 NH2 ARG B 22 -3.793 4.530 -8.922 1.00 0.00 N ATOM 0 H ARG B 22 -3.310 -0.103 -12.310 1.00 0.00 H new ATOM 0 HA ARG B 22 -6.001 -0.075 -11.229 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.267 1.821 -11.716 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -4.700 1.655 -13.406 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -6.220 3.320 -12.733 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.198 1.883 -12.512 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -7.387 3.200 -10.449 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -6.394 1.808 -10.065 1.00 0.00 H new ATOM 0 HE ARG B 22 -4.849 4.148 -11.117 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -6.188 2.537 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -4.998 3.259 -7.175 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.358 5.023 -9.702 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -3.424 4.643 -7.978 1.00 0.00 H new ATOM 1252 N GLN B 23 -5.674 -0.903 -14.368 1.00 0.00 N ATOM 1253 CA GLN B 23 -6.451 -1.449 -15.522 1.00 0.00 C ATOM 1254 C GLN B 23 -7.078 -2.787 -15.122 1.00 0.00 C ATOM 1255 O GLN B 23 -8.253 -3.020 -15.339 1.00 0.00 O ATOM 1256 CB GLN B 23 -5.429 -1.645 -16.649 1.00 0.00 C ATOM 1257 CG GLN B 23 -5.620 -0.562 -17.717 1.00 0.00 C ATOM 1258 CD GLN B 23 -5.299 0.810 -17.121 1.00 0.00 C ATOM 1259 OE1 GLN B 23 -4.172 1.259 -17.176 1.00 0.00 O ATOM 1260 NE2 GLN B 23 -6.249 1.500 -16.551 1.00 0.00 N ATOM 0 H GLN B 23 -4.662 -0.893 -14.494 1.00 0.00 H new ATOM 0 HA GLN B 23 -7.259 -0.787 -15.833 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -4.417 -1.598 -16.247 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -5.549 -2.633 -17.094 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -4.971 -0.760 -18.570 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -6.645 -0.578 -18.086 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -7.196 1.123 -16.505 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -6.045 2.416 -16.152 1.00 0.00 H new ATOM 1269 N LYS B 24 -6.303 -3.659 -14.528 1.00 0.00 N ATOM 1270 CA LYS B 24 -6.852 -4.980 -14.095 1.00 0.00 C ATOM 1271 C LYS B 24 -7.914 -4.757 -13.016 1.00 0.00 C ATOM 1272 O LYS B 24 -9.092 -4.958 -13.242 1.00 0.00 O ATOM 1273 CB LYS B 24 -5.656 -5.756 -13.528 1.00 0.00 C ATOM 1274 CG LYS B 24 -5.258 -6.876 -14.495 1.00 0.00 C ATOM 1275 CD LYS B 24 -4.268 -6.335 -15.538 1.00 0.00 C ATOM 1276 CE LYS B 24 -4.677 -6.811 -16.937 1.00 0.00 C ATOM 1277 NZ LYS B 24 -3.402 -7.209 -17.597 1.00 0.00 N ATOM 0 H LYS B 24 -5.314 -3.513 -14.324 1.00 0.00 H new ATOM 0 HA LYS B 24 -7.324 -5.525 -14.912 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -4.814 -5.081 -13.372 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -5.912 -6.177 -12.555 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -4.806 -7.701 -13.944 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -6.144 -7.272 -14.992 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -4.250 -5.246 -15.505 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -3.259 -6.678 -15.308 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -5.371 -7.650 -16.881 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -5.178 -6.019 -17.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -3.600 -7.547 -18.560 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -2.764 -6.389 -17.642 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -2.951 -7.970 -17.050 1.00 0.00 H new ATOM 1291 N PHE B 25 -7.501 -4.332 -11.847 1.00 0.00 N ATOM 1292 CA PHE B 25 -8.483 -4.079 -10.747 1.00 0.00 C ATOM 1293 C PHE B 25 -9.390 -2.901 -11.122 1.00 0.00 C ATOM 1294 O PHE B 25 -9.025 -2.062 -11.924 1.00 0.00 O ATOM 1295 CB PHE B 25 -7.632 -3.732 -9.517 1.00 0.00 C ATOM 1296 CG PHE B 25 -8.117 -4.516 -8.320 1.00 0.00 C ATOM 1297 CD1 PHE B 25 -9.260 -4.101 -7.625 1.00 0.00 C ATOM 1298 CD2 PHE B 25 -7.421 -5.655 -7.905 1.00 0.00 C ATOM 1299 CE1 PHE B 25 -9.707 -4.828 -6.516 1.00 0.00 C ATOM 1300 CE2 PHE B 25 -7.869 -6.382 -6.795 1.00 0.00 C ATOM 1301 CZ PHE B 25 -9.012 -5.968 -6.102 1.00 0.00 C ATOM 0 H PHE B 25 -6.527 -4.149 -11.607 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.128 -4.938 -10.561 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.584 -3.960 -9.712 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.692 -2.663 -9.312 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -9.796 -3.220 -7.945 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -6.539 -5.974 -8.440 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.589 -4.508 -5.980 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -7.332 -7.262 -6.474 1.00 0.00 H new ATOM 0 HZ PHE B 25 -9.357 -6.530 -5.247 1.00 0.00 H new ATOM 1311 N GLN B 26 -10.566 -2.835 -10.549 1.00 0.00 N ATOM 1312 CA GLN B 26 -11.496 -1.710 -10.872 1.00 0.00 C ATOM 1313 C GLN B 26 -11.060 -0.437 -10.130 1.00 0.00 C ATOM 1314 O GLN B 26 -10.397 0.415 -10.691 1.00 0.00 O ATOM 1315 CB GLN B 26 -12.875 -2.180 -10.400 1.00 0.00 C ATOM 1316 CG GLN B 26 -13.613 -2.856 -11.557 1.00 0.00 C ATOM 1317 CD GLN B 26 -12.879 -4.139 -11.953 1.00 0.00 C ATOM 1318 OE1 GLN B 26 -12.947 -5.131 -11.254 1.00 0.00 O ATOM 1319 NE2 GLN B 26 -12.176 -4.161 -13.051 1.00 0.00 N ATOM 0 H GLN B 26 -10.922 -3.511 -9.873 1.00 0.00 H new ATOM 0 HA GLN B 26 -11.502 -1.466 -11.934 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -12.768 -2.876 -9.568 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -13.453 -1.332 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -14.637 -3.087 -11.263 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -13.670 -2.180 -12.410 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.119 -3.328 -13.637 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -11.683 -5.011 -13.324 1.00 0.00 H new ATOM 1328 N ILE B 27 -11.420 -0.300 -8.872 1.00 0.00 N ATOM 1329 CA ILE B 27 -11.024 0.916 -8.086 1.00 0.00 C ATOM 1330 C ILE B 27 -11.376 2.202 -8.852 1.00 0.00 C ATOM 1331 O ILE B 27 -10.565 2.740 -9.584 1.00 0.00 O ATOM 1332 CB ILE B 27 -9.506 0.789 -7.894 1.00 0.00 C ATOM 1333 CG1 ILE B 27 -9.202 -0.490 -7.107 1.00 0.00 C ATOM 1334 CG2 ILE B 27 -8.967 2.005 -7.123 1.00 0.00 C ATOM 1335 CD1 ILE B 27 -7.735 -0.877 -7.306 1.00 0.00 C ATOM 0 H ILE B 27 -11.974 -0.982 -8.354 1.00 0.00 H new ATOM 0 HA ILE B 27 -11.551 0.976 -7.134 1.00 0.00 H new ATOM 0 HB ILE B 27 -9.024 0.746 -8.871 1.00 0.00 H new ATOM 0 HG12 ILE B 27 -9.408 -0.335 -6.048 1.00 0.00 H new ATOM 0 HG13 ILE B 27 -9.851 -1.299 -7.443 1.00 0.00 H new ATOM 0 HG21 ILE B 27 -7.890 1.905 -6.992 1.00 0.00 H new ATOM 0 HG22 ILE B 27 -9.181 2.915 -7.683 1.00 0.00 H new ATOM 0 HG23 ILE B 27 -9.447 2.059 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE B 27 -7.520 -1.787 -6.746 1.00 0.00 H new ATOM 0 HD12 ILE B 27 -7.545 -1.049 -8.365 1.00 0.00 H new ATOM 0 HD13 ILE B 27 -7.094 -0.071 -6.949 1.00 0.00 H new ATOM 1347 N LYS B 28 -12.577 2.693 -8.681 1.00 0.00 N ATOM 1348 CA LYS B 28 -12.991 3.941 -9.389 1.00 0.00 C ATOM 1349 C LYS B 28 -13.481 4.978 -8.375 1.00 0.00 C ATOM 1350 O LYS B 28 -13.613 4.691 -7.200 1.00 0.00 O ATOM 1351 CB LYS B 28 -14.126 3.509 -10.318 1.00 0.00 C ATOM 1352 CG LYS B 28 -13.572 2.586 -11.406 1.00 0.00 C ATOM 1353 CD LYS B 28 -14.487 2.624 -12.636 1.00 0.00 C ATOM 1354 CE LYS B 28 -13.885 3.548 -13.699 1.00 0.00 C ATOM 1355 NZ LYS B 28 -14.991 3.798 -14.664 1.00 0.00 N ATOM 0 H LYS B 28 -13.291 2.282 -8.079 1.00 0.00 H new ATOM 0 HA LYS B 28 -12.171 4.401 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -14.900 2.994 -9.749 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.592 4.384 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.564 2.897 -11.681 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -13.498 1.566 -11.028 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.610 1.619 -13.041 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -15.479 2.977 -12.353 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.529 4.479 -13.257 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -13.031 3.081 -14.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.655 4.424 -15.423 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -15.305 2.895 -15.074 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.787 4.249 -14.170 1.00 0.00 H new ATOM 1369 N GLU B 29 -13.749 6.180 -8.820 1.00 0.00 N ATOM 1370 CA GLU B 29 -14.229 7.242 -7.880 1.00 0.00 C ATOM 1371 C GLU B 29 -15.542 6.813 -7.219 1.00 0.00 C ATOM 1372 O GLU B 29 -16.542 6.611 -7.881 1.00 0.00 O ATOM 1373 CB GLU B 29 -14.449 8.485 -8.745 1.00 0.00 C ATOM 1374 CG GLU B 29 -14.805 9.674 -7.849 1.00 0.00 C ATOM 1375 CD GLU B 29 -15.727 10.629 -8.608 1.00 0.00 C ATOM 1376 OE1 GLU B 29 -16.831 10.223 -8.933 1.00 0.00 O ATOM 1377 OE2 GLU B 29 -15.313 11.750 -8.853 1.00 0.00 O ATOM 0 H GLU B 29 -13.657 6.473 -9.793 1.00 0.00 H new ATOM 0 HA GLU B 29 -13.513 7.428 -7.079 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -13.549 8.705 -9.319 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -15.249 8.305 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -15.295 9.324 -6.941 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -13.898 10.195 -7.541 1.00 0.00 H new ATOM 1384 N GLY B 30 -15.541 6.673 -5.918 1.00 0.00 N ATOM 1385 CA GLY B 30 -16.783 6.256 -5.204 1.00 0.00 C ATOM 1386 C GLY B 30 -16.865 4.730 -5.168 1.00 0.00 C ATOM 1387 O GLY B 30 -17.787 4.136 -5.698 1.00 0.00 O ATOM 0 H GLY B 30 -14.731 6.830 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -16.783 6.654 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -17.659 6.666 -5.707 1.00 0.00 H new ATOM 1391 N ASP B 31 -15.905 4.090 -4.546 1.00 0.00 N ATOM 1392 CA ASP B 31 -15.918 2.599 -4.470 1.00 0.00 C ATOM 1393 C ASP B 31 -15.612 2.141 -3.041 1.00 0.00 C ATOM 1394 O ASP B 31 -14.745 2.681 -2.381 1.00 0.00 O ATOM 1395 CB ASP B 31 -14.815 2.144 -5.427 1.00 0.00 C ATOM 1396 CG ASP B 31 -15.383 2.030 -6.843 1.00 0.00 C ATOM 1397 OD1 ASP B 31 -16.199 2.863 -7.203 1.00 0.00 O ATOM 1398 OD2 ASP B 31 -14.993 1.110 -7.543 1.00 0.00 O ATOM 0 H ASP B 31 -15.112 4.539 -4.087 1.00 0.00 H new ATOM 0 HA ASP B 31 -16.888 2.179 -4.738 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -13.989 2.855 -5.411 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -14.414 1.183 -5.106 1.00 0.00 H new ATOM 1403 N LEU B 32 -16.320 1.149 -2.563 1.00 0.00 N ATOM 1404 CA LEU B 32 -16.078 0.651 -1.176 1.00 0.00 C ATOM 1405 C LEU B 32 -14.953 -0.387 -1.172 1.00 0.00 C ATOM 1406 O LEU B 32 -15.188 -1.571 -1.330 1.00 0.00 O ATOM 1407 CB LEU B 32 -17.400 0.013 -0.748 1.00 0.00 C ATOM 1408 CG LEU B 32 -18.365 1.105 -0.281 1.00 0.00 C ATOM 1409 CD1 LEU B 32 -19.222 1.567 -1.463 1.00 0.00 C ATOM 1410 CD2 LEU B 32 -19.271 0.549 0.820 1.00 0.00 C ATOM 0 H LEU B 32 -17.056 0.662 -3.075 1.00 0.00 H new ATOM 0 HA LEU B 32 -15.773 1.449 -0.499 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -17.835 -0.541 -1.580 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -17.227 -0.703 0.056 1.00 0.00 H new ATOM 0 HG LEU B 32 -17.797 1.950 0.109 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -19.910 2.345 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -18.577 1.963 -2.247 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -19.790 0.722 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -19.958 1.327 1.153 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -19.840 -0.296 0.431 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -18.661 0.220 1.661 1.00 0.00 H new ATOM 1422 N VAL B 33 -13.734 0.052 -0.986 1.00 0.00 N ATOM 1423 CA VAL B 33 -12.584 -0.903 -0.962 1.00 0.00 C ATOM 1424 C VAL B 33 -12.229 -1.253 0.488 1.00 0.00 C ATOM 1425 O VAL B 33 -12.456 -0.473 1.393 1.00 0.00 O ATOM 1426 CB VAL B 33 -11.429 -0.164 -1.658 1.00 0.00 C ATOM 1427 CG1 VAL B 33 -11.101 1.136 -0.914 1.00 0.00 C ATOM 1428 CG2 VAL B 33 -10.188 -1.060 -1.680 1.00 0.00 C ATOM 0 H VAL B 33 -13.485 1.032 -0.850 1.00 0.00 H new ATOM 0 HA VAL B 33 -12.809 -1.843 -1.465 1.00 0.00 H new ATOM 0 HB VAL B 33 -11.731 0.077 -2.677 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -10.281 1.647 -1.419 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -11.980 1.781 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -10.808 0.905 0.110 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -9.370 -0.536 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -9.898 -1.305 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -10.411 -1.978 -2.224 1.00 0.00 H new ATOM 1438 N LYS B 34 -11.682 -2.421 0.711 1.00 0.00 N ATOM 1439 CA LYS B 34 -11.319 -2.827 2.102 1.00 0.00 C ATOM 1440 C LYS B 34 -9.856 -3.275 2.170 1.00 0.00 C ATOM 1441 O LYS B 34 -9.303 -3.768 1.207 1.00 0.00 O ATOM 1442 CB LYS B 34 -12.249 -3.998 2.427 1.00 0.00 C ATOM 1443 CG LYS B 34 -13.483 -3.482 3.169 1.00 0.00 C ATOM 1444 CD LYS B 34 -14.599 -3.188 2.164 1.00 0.00 C ATOM 1445 CE LYS B 34 -15.181 -4.505 1.631 1.00 0.00 C ATOM 1446 NZ LYS B 34 -16.582 -4.545 2.138 1.00 0.00 N ATOM 0 H LYS B 34 -11.471 -3.111 -0.010 1.00 0.00 H new ATOM 0 HA LYS B 34 -11.428 -2.004 2.808 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -12.549 -4.503 1.509 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -11.725 -4.733 3.038 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -13.819 -4.222 3.895 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -13.234 -2.579 3.726 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -15.383 -2.600 2.640 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.210 -2.592 1.339 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -15.155 -4.535 0.542 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -14.608 -5.361 1.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -17.044 -5.418 1.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -16.576 -4.523 3.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -17.105 -3.722 1.777 1.00 0.00 H new ATOM 1460 N VAL B 35 -9.237 -3.113 3.310 1.00 0.00 N ATOM 1461 CA VAL B 35 -7.813 -3.532 3.469 1.00 0.00 C ATOM 1462 C VAL B 35 -7.703 -4.491 4.659 1.00 0.00 C ATOM 1463 O VAL B 35 -8.169 -4.194 5.743 1.00 0.00 O ATOM 1464 CB VAL B 35 -7.038 -2.238 3.739 1.00 0.00 C ATOM 1465 CG1 VAL B 35 -5.552 -2.555 3.912 1.00 0.00 C ATOM 1466 CG2 VAL B 35 -7.216 -1.279 2.559 1.00 0.00 C ATOM 0 H VAL B 35 -9.660 -2.705 4.144 1.00 0.00 H new ATOM 0 HA VAL B 35 -7.423 -4.049 2.592 1.00 0.00 H new ATOM 0 HB VAL B 35 -7.419 -1.774 4.649 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -5.003 -1.633 4.104 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -5.421 -3.237 4.752 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -5.171 -3.021 3.003 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -6.665 -0.359 2.752 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -6.836 -1.746 1.650 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -8.274 -1.049 2.434 1.00 0.00 H new ATOM 1476 N THR B 36 -7.111 -5.644 4.463 1.00 0.00 N ATOM 1477 CA THR B 36 -6.999 -6.624 5.586 1.00 0.00 C ATOM 1478 C THR B 36 -5.550 -7.086 5.782 1.00 0.00 C ATOM 1479 O THR B 36 -4.773 -7.149 4.850 1.00 0.00 O ATOM 1480 CB THR B 36 -7.882 -7.802 5.166 1.00 0.00 C ATOM 1481 OG1 THR B 36 -7.585 -8.159 3.823 1.00 0.00 O ATOM 1482 CG2 THR B 36 -9.354 -7.402 5.275 1.00 0.00 C ATOM 0 H THR B 36 -6.703 -5.947 3.579 1.00 0.00 H new ATOM 0 HA THR B 36 -7.309 -6.185 6.535 1.00 0.00 H new ATOM 0 HB THR B 36 -7.689 -8.653 5.820 1.00 0.00 H new ATOM 0 HG1 THR B 36 -8.148 -8.914 3.553 1.00 0.00 H new ATOM 0 HG21 THR B 36 -9.982 -8.241 4.976 1.00 0.00 H new ATOM 0 HG22 THR B 36 -9.581 -7.128 6.305 1.00 0.00 H new ATOM 0 HG23 THR B 36 -9.549 -6.552 4.622 1.00 0.00 H new ATOM 1490 N PHE B 37 -5.198 -7.418 6.999 1.00 0.00 N ATOM 1491 CA PHE B 37 -3.814 -7.895 7.292 1.00 0.00 C ATOM 1492 C PHE B 37 -3.884 -9.108 8.226 1.00 0.00 C ATOM 1493 O PHE B 37 -4.488 -9.053 9.281 1.00 0.00 O ATOM 1494 CB PHE B 37 -3.121 -6.713 7.982 1.00 0.00 C ATOM 1495 CG PHE B 37 -1.705 -7.094 8.353 1.00 0.00 C ATOM 1496 CD1 PHE B 37 -0.833 -7.581 7.373 1.00 0.00 C ATOM 1497 CD2 PHE B 37 -1.270 -6.961 9.676 1.00 0.00 C ATOM 1498 CE1 PHE B 37 0.477 -7.936 7.718 1.00 0.00 C ATOM 1499 CE2 PHE B 37 0.041 -7.316 10.020 1.00 0.00 C ATOM 1500 CZ PHE B 37 0.914 -7.803 9.041 1.00 0.00 C ATOM 0 H PHE B 37 -5.817 -7.378 7.809 1.00 0.00 H new ATOM 0 HA PHE B 37 -3.274 -8.204 6.397 1.00 0.00 H new ATOM 0 HB2 PHE B 37 -3.113 -5.847 7.319 1.00 0.00 H new ATOM 0 HB3 PHE B 37 -3.676 -6.425 8.875 1.00 0.00 H new ATOM 0 HD1 PHE B 37 -1.170 -7.683 6.352 1.00 0.00 H new ATOM 0 HD2 PHE B 37 -1.944 -6.585 10.431 1.00 0.00 H new ATOM 0 HE1 PHE B 37 1.151 -8.313 6.963 1.00 0.00 H new ATOM 0 HE2 PHE B 37 0.378 -7.214 11.041 1.00 0.00 H new ATOM 0 HZ PHE B 37 1.925 -8.076 9.306 1.00 0.00 H new ATOM 1510 N ASP B 38 -3.280 -10.204 7.841 1.00 0.00 N ATOM 1511 CA ASP B 38 -3.318 -11.427 8.699 1.00 0.00 C ATOM 1512 C ASP B 38 -2.022 -11.561 9.502 1.00 0.00 C ATOM 1513 O ASP B 38 -1.146 -10.720 9.430 1.00 0.00 O ATOM 1514 CB ASP B 38 -3.462 -12.592 7.720 1.00 0.00 C ATOM 1515 CG ASP B 38 -4.910 -12.676 7.234 1.00 0.00 C ATOM 1516 OD1 ASP B 38 -5.393 -11.690 6.702 1.00 0.00 O ATOM 1517 OD2 ASP B 38 -5.511 -13.724 7.400 1.00 0.00 O ATOM 0 H ASP B 38 -2.762 -10.305 6.968 1.00 0.00 H new ATOM 0 HA ASP B 38 -4.133 -11.394 9.422 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -2.791 -12.454 6.873 1.00 0.00 H new ATOM 0 HB3 ASP B 38 -3.175 -13.525 8.205 1.00 0.00 H new ATOM 1522 N GLU B 39 -1.899 -12.617 10.266 1.00 0.00 N ATOM 1523 CA GLU B 39 -0.664 -12.822 11.081 1.00 0.00 C ATOM 1524 C GLU B 39 -0.032 -14.181 10.760 1.00 0.00 C ATOM 1525 O GLU B 39 0.686 -14.743 11.565 1.00 0.00 O ATOM 1526 CB GLU B 39 -1.140 -12.785 12.532 1.00 0.00 C ATOM 1527 CG GLU B 39 -0.003 -12.292 13.431 1.00 0.00 C ATOM 1528 CD GLU B 39 -0.583 -11.468 14.581 1.00 0.00 C ATOM 1529 OE1 GLU B 39 -1.500 -10.703 14.334 1.00 0.00 O ATOM 1530 OE2 GLU B 39 -0.100 -11.618 15.692 1.00 0.00 O ATOM 0 H GLU B 39 -2.604 -13.348 10.360 1.00 0.00 H new ATOM 0 HA GLU B 39 0.094 -12.065 10.878 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -2.003 -12.126 12.626 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.461 -13.778 12.846 1.00 0.00 H new ATOM 0 HG2 GLU B 39 0.558 -13.140 13.824 1.00 0.00 H new ATOM 0 HG3 GLU B 39 0.696 -11.688 12.853 1.00 0.00 H new ATOM 1537 N SER B 40 -0.292 -14.709 9.590 1.00 0.00 N ATOM 1538 CA SER B 40 0.294 -16.030 9.213 1.00 0.00 C ATOM 1539 C SER B 40 1.174 -15.877 7.969 1.00 0.00 C ATOM 1540 O SER B 40 2.236 -16.462 7.875 1.00 0.00 O ATOM 1541 CB SER B 40 -0.909 -16.925 8.912 1.00 0.00 C ATOM 1542 OG SER B 40 -0.454 -18.161 8.380 1.00 0.00 O ATOM 0 H SER B 40 -0.886 -14.281 8.879 1.00 0.00 H new ATOM 0 HA SER B 40 0.923 -16.445 10.000 1.00 0.00 H new ATOM 0 HB2 SER B 40 -1.485 -17.097 9.821 1.00 0.00 H new ATOM 0 HB3 SER B 40 -1.574 -16.433 8.202 1.00 0.00 H new ATOM 0 HG SER B 40 -1.223 -18.737 8.188 1.00 0.00 H new ATOM 1548 N GLU B 41 0.736 -15.092 7.018 1.00 0.00 N ATOM 1549 CA GLU B 41 1.539 -14.892 5.775 1.00 0.00 C ATOM 1550 C GLU B 41 2.336 -13.588 5.866 1.00 0.00 C ATOM 1551 O GLU B 41 3.527 -13.561 5.621 1.00 0.00 O ATOM 1552 CB GLU B 41 0.510 -14.818 4.648 1.00 0.00 C ATOM 1553 CG GLU B 41 0.102 -16.234 4.231 1.00 0.00 C ATOM 1554 CD GLU B 41 -1.387 -16.255 3.879 1.00 0.00 C ATOM 1555 OE1 GLU B 41 -1.852 -15.288 3.301 1.00 0.00 O ATOM 1556 OE2 GLU B 41 -2.036 -17.239 4.194 1.00 0.00 O ATOM 0 H GLU B 41 -0.146 -14.580 7.049 1.00 0.00 H new ATOM 0 HA GLU B 41 2.261 -15.693 5.614 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -0.366 -14.259 4.978 1.00 0.00 H new ATOM 0 HB3 GLU B 41 0.928 -14.283 3.795 1.00 0.00 H new ATOM 0 HG2 GLU B 41 0.693 -16.556 3.374 1.00 0.00 H new ATOM 0 HG3 GLU B 41 0.305 -16.935 5.040 1.00 0.00 H new ATOM 1563 N GLY B 42 1.684 -12.508 6.219 1.00 0.00 N ATOM 1564 CA GLY B 42 2.396 -11.201 6.333 1.00 0.00 C ATOM 1565 C GLY B 42 2.156 -10.371 5.071 1.00 0.00 C ATOM 1566 O GLY B 42 3.065 -9.766 4.535 1.00 0.00 O ATOM 0 H GLY B 42 0.687 -12.477 6.433 1.00 0.00 H new ATOM 0 HA2 GLY B 42 2.042 -10.658 7.209 1.00 0.00 H new ATOM 0 HA3 GLY B 42 3.464 -11.369 6.472 1.00 0.00 H new ATOM 1570 N VAL B 43 0.937 -10.339 4.596 1.00 0.00 N ATOM 1571 CA VAL B 43 0.625 -9.546 3.368 1.00 0.00 C ATOM 1572 C VAL B 43 -0.740 -8.865 3.513 1.00 0.00 C ATOM 1573 O VAL B 43 -1.582 -9.311 4.270 1.00 0.00 O ATOM 1574 CB VAL B 43 0.607 -10.562 2.221 1.00 0.00 C ATOM 1575 CG1 VAL B 43 1.985 -11.213 2.090 1.00 0.00 C ATOM 1576 CG2 VAL B 43 -0.440 -11.649 2.495 1.00 0.00 C ATOM 0 H VAL B 43 0.142 -10.829 5.007 1.00 0.00 H new ATOM 0 HA VAL B 43 1.356 -8.757 3.191 1.00 0.00 H new ATOM 0 HB VAL B 43 0.354 -10.044 1.296 1.00 0.00 H new ATOM 0 HG11 VAL B 43 1.970 -11.935 1.274 1.00 0.00 H new ATOM 0 HG12 VAL B 43 2.731 -10.446 1.882 1.00 0.00 H new ATOM 0 HG13 VAL B 43 2.237 -11.722 3.020 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -0.444 -12.365 1.674 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -0.196 -12.164 3.424 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -1.425 -11.191 2.582 1.00 0.00 H new ATOM 1586 N VAL B 44 -0.963 -7.792 2.795 1.00 0.00 N ATOM 1587 CA VAL B 44 -2.279 -7.086 2.893 1.00 0.00 C ATOM 1588 C VAL B 44 -3.111 -7.359 1.638 1.00 0.00 C ATOM 1589 O VAL B 44 -2.668 -7.134 0.528 1.00 0.00 O ATOM 1590 CB VAL B 44 -1.946 -5.594 3.002 1.00 0.00 C ATOM 1591 CG1 VAL B 44 -3.238 -4.798 3.194 1.00 0.00 C ATOM 1592 CG2 VAL B 44 -1.014 -5.348 4.197 1.00 0.00 C ATOM 0 H VAL B 44 -0.294 -7.375 2.148 1.00 0.00 H new ATOM 0 HA VAL B 44 -2.861 -7.426 3.750 1.00 0.00 H new ATOM 0 HB VAL B 44 -1.447 -5.273 2.088 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -3.003 -3.736 3.272 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -3.897 -4.962 2.341 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -3.736 -5.127 4.106 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -0.783 -4.285 4.266 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -1.505 -5.673 5.114 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -0.091 -5.911 4.061 1.00 0.00 H new ATOM 1602 N LYS B 45 -4.314 -7.845 1.812 1.00 0.00 N ATOM 1603 CA LYS B 45 -5.187 -8.142 0.637 1.00 0.00 C ATOM 1604 C LYS B 45 -6.319 -7.116 0.547 1.00 0.00 C ATOM 1605 O LYS B 45 -7.027 -6.874 1.507 1.00 0.00 O ATOM 1606 CB LYS B 45 -5.748 -9.539 0.910 1.00 0.00 C ATOM 1607 CG LYS B 45 -6.165 -10.192 -0.409 1.00 0.00 C ATOM 1608 CD LYS B 45 -6.147 -11.714 -0.254 1.00 0.00 C ATOM 1609 CE LYS B 45 -7.500 -12.192 0.276 1.00 0.00 C ATOM 1610 NZ LYS B 45 -7.175 -13.279 1.240 1.00 0.00 N ATOM 0 H LYS B 45 -4.730 -8.049 2.721 1.00 0.00 H new ATOM 0 HA LYS B 45 -4.644 -8.096 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -4.998 -10.152 1.409 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -6.604 -9.473 1.581 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -7.162 -9.857 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -5.487 -9.889 -1.207 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -5.934 -12.185 -1.214 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -5.352 -12.011 0.430 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -8.041 -11.381 0.763 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -8.133 -12.558 -0.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -8.055 -13.657 1.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -6.666 -14.040 0.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -6.577 -12.900 2.002 1.00 0.00 H new ATOM 1624 N ILE B 46 -6.492 -6.512 -0.603 1.00 0.00 N ATOM 1625 CA ILE B 46 -7.578 -5.498 -0.766 1.00 0.00 C ATOM 1626 C ILE B 46 -8.599 -5.974 -1.805 1.00 0.00 C ATOM 1627 O ILE B 46 -8.278 -6.742 -2.694 1.00 0.00 O ATOM 1628 CB ILE B 46 -6.878 -4.220 -1.241 1.00 0.00 C ATOM 1629 CG1 ILE B 46 -6.112 -4.491 -2.540 1.00 0.00 C ATOM 1630 CG2 ILE B 46 -5.899 -3.747 -0.166 1.00 0.00 C ATOM 1631 CD1 ILE B 46 -5.823 -3.165 -3.247 1.00 0.00 C ATOM 0 H ILE B 46 -5.927 -6.678 -1.436 1.00 0.00 H new ATOM 0 HA ILE B 46 -8.124 -5.334 0.163 1.00 0.00 H new ATOM 0 HB ILE B 46 -7.628 -3.450 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -5.179 -5.011 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -6.696 -5.142 -3.190 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -5.400 -2.838 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -6.442 -3.542 0.756 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -5.155 -4.523 0.016 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -5.278 -3.357 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -6.763 -2.663 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -5.222 -2.529 -2.597 1.00 0.00 H new ATOM 1643 N GLN B 47 -9.823 -5.519 -1.698 1.00 0.00 N ATOM 1644 CA GLN B 47 -10.874 -5.939 -2.673 1.00 0.00 C ATOM 1645 C GLN B 47 -11.995 -4.897 -2.732 1.00 0.00 C ATOM 1646 O GLN B 47 -12.129 -4.067 -1.852 1.00 0.00 O ATOM 1647 CB GLN B 47 -11.405 -7.267 -2.131 1.00 0.00 C ATOM 1648 CG GLN B 47 -12.309 -7.930 -3.177 1.00 0.00 C ATOM 1649 CD GLN B 47 -13.778 -7.688 -2.821 1.00 0.00 C ATOM 1650 OE1 GLN B 47 -14.128 -6.637 -2.321 1.00 0.00 O ATOM 1651 NE2 GLN B 47 -14.657 -8.622 -3.059 1.00 0.00 N ATOM 0 H GLN B 47 -10.139 -4.873 -0.975 1.00 0.00 H new ATOM 0 HA GLN B 47 -10.482 -6.036 -3.685 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -10.574 -7.928 -1.884 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -11.963 -7.098 -1.210 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -12.094 -7.525 -4.166 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -12.107 -9.000 -3.219 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -14.363 -9.504 -3.479 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -15.638 -8.470 -2.825 1.00 0.00 H new ATOM 1660 N LEU B 48 -12.796 -4.937 -3.766 1.00 0.00 N ATOM 1661 CA LEU B 48 -13.915 -3.955 -3.896 1.00 0.00 C ATOM 1662 C LEU B 48 -15.260 -4.686 -3.910 1.00 0.00 C ATOM 1663 O LEU B 48 -16.063 -4.544 -3.006 1.00 0.00 O ATOM 1664 CB LEU B 48 -13.671 -3.250 -5.234 1.00 0.00 C ATOM 1665 CG LEU B 48 -13.130 -1.840 -4.987 1.00 0.00 C ATOM 1666 CD1 LEU B 48 -11.603 -1.882 -4.913 1.00 0.00 C ATOM 1667 CD2 LEU B 48 -13.558 -0.924 -6.135 1.00 0.00 C ATOM 0 H LEU B 48 -12.723 -5.610 -4.529 1.00 0.00 H new ATOM 0 HA LEU B 48 -13.946 -3.250 -3.065 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -12.962 -3.822 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -14.599 -3.199 -5.803 1.00 0.00 H new ATOM 0 HG LEU B 48 -13.528 -1.459 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -11.219 -0.877 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -11.296 -2.536 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -11.204 -2.263 -5.853 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -13.174 0.081 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -13.160 -1.307 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -14.646 -0.892 -6.189 1.00 0.00 H new