USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 633 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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.81) USER MOD Set 2.1: A 1 ALA N :NH3+ -169:sc= 0 (180deg=-0.159) USER MOD Set 2.2: A 5 HIS : no HD1:sc= -0.0655 X(o=0.016,f=-0.13) USER MOD Set 2.3: A 8 SER OG : rot 89:sc= 0.0817 USER MOD Set 2.4: A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.527 K(o=-0.53,f=-2.1!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= -0.0418 (180deg=-0.301) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.0618 (180deg=-0.355) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -4.52! K(o=-4.5!,f=0.1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.86 K(o=-2.9,f=-0.96) USER MOD Single : A 32 MET CE :methyl -166:sc= -0.0784 (180deg=-0.482) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -121:sc= -0.323 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.314 K(o=-0.31,f=-3.4!) USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.0289 (180deg=-1.32) USER MOD Single : A 58 GLN : amide:sc= -0.946 K(o=-0.95,f=-0.17) USER MOD Single : A 59 ASN : amide:sc= 0.794 K(o=0.79,f=-0.01) USER MOD Single : A 62 MET CE :methyl 157:sc= -0.202 (180deg=-0.85) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0761) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= -0.0492 (180deg=-0.329) USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= -0.0286 (180deg=-0.26) USER MOD Single : A 67 MET CE :methyl -162:sc= -0.14 (180deg=-0.69) USER MOD Single : A 68 ASN : amide:sc= -0.919 K(o=-0.92,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.834 16.481 4.116 1.00 0.00 N ATOM 2 CA ALA A 1 -4.187 16.776 3.577 1.00 0.00 C ATOM 3 C ALA A 1 -4.229 18.158 2.935 1.00 0.00 C ATOM 4 O ALA A 1 -4.914 18.368 1.934 1.00 0.00 O ATOM 5 CB ALA A 1 -5.228 16.678 4.682 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.776 15.476 4.378 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.118 16.692 3.392 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.659 17.068 4.956 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.415 16.036 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.214 16.897 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.223 15.671 5.098 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.994 17.396 5.467 1.00 0.00 H new ATOM 13 N ASN A 2 -3.495 19.098 3.520 1.00 0.00 N ATOM 14 CA ASN A 2 -3.448 20.460 3.004 1.00 0.00 C ATOM 15 C ASN A 2 -2.150 21.148 3.413 1.00 0.00 C ATOM 16 O ASN A 2 -1.460 21.738 2.581 1.00 0.00 O ATOM 17 CB ASN A 2 -4.649 21.261 3.515 1.00 0.00 C ATOM 18 CG ASN A 2 -4.797 22.601 2.820 1.00 0.00 C ATOM 19 OD1 ASN A 2 -3.814 23.209 2.397 1.00 0.00 O ATOM 20 ND2 ASN A 2 -6.034 23.070 2.698 1.00 0.00 N ATOM 0 H ASN A 2 -2.925 18.941 4.351 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.487 20.415 1.916 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.558 20.678 3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.543 21.422 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.197 23.966 2.239 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -6.821 22.534 3.063 1.00 0.00 H new ATOM 27 N TRP A 3 -1.823 21.066 4.699 1.00 0.00 N ATOM 28 CA TRP A 3 -0.608 21.678 5.221 1.00 0.00 C ATOM 29 C TRP A 3 0.430 20.613 5.561 1.00 0.00 C ATOM 30 O TRP A 3 1.629 20.894 5.613 1.00 0.00 O ATOM 31 CB TRP A 3 -0.930 22.513 6.463 1.00 0.00 C ATOM 32 CG TRP A 3 0.243 23.288 6.983 1.00 0.00 C ATOM 33 CD1 TRP A 3 0.659 24.520 6.568 1.00 0.00 C ATOM 34 CD2 TRP A 3 1.148 22.885 8.017 1.00 0.00 C ATOM 35 NE1 TRP A 3 1.767 24.908 7.279 1.00 0.00 N ATOM 36 CE2 TRP A 3 2.088 23.921 8.175 1.00 0.00 C ATOM 37 CE3 TRP A 3 1.256 21.748 8.823 1.00 0.00 C ATOM 38 CZ2 TRP A 3 3.121 23.853 9.108 1.00 0.00 C ATOM 39 CZ3 TRP A 3 2.280 21.683 9.749 1.00 0.00 C ATOM 40 CH2 TRP A 3 3.200 22.729 9.884 1.00 0.00 C ATOM 0 H TRP A 3 -2.384 20.581 5.399 1.00 0.00 H new ATOM 0 HA TRP A 3 -0.194 22.330 4.452 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.737 23.206 6.226 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.297 21.853 7.249 1.00 0.00 H new ATOM 0 HD1 TRP A 3 0.185 25.104 5.793 1.00 0.00 H new ATOM 0 HE1 TRP A 3 2.270 25.787 7.160 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.552 20.935 8.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.833 24.658 9.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 2.372 20.811 10.379 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.989 22.647 10.617 1.00 0.00 H new ATOM 51 N ILE A 4 -0.039 19.390 5.789 1.00 0.00 N ATOM 52 CA ILE A 4 0.844 18.280 6.126 1.00 0.00 C ATOM 53 C ILE A 4 1.868 18.039 5.020 1.00 0.00 C ATOM 54 O ILE A 4 3.059 17.881 5.288 1.00 0.00 O ATOM 55 CB ILE A 4 0.044 16.980 6.365 1.00 0.00 C ATOM 56 CG1 ILE A 4 -1.017 17.192 7.450 1.00 0.00 C ATOM 57 CG2 ILE A 4 0.979 15.838 6.743 1.00 0.00 C ATOM 58 CD1 ILE A 4 -0.450 17.566 8.805 1.00 0.00 C ATOM 0 H ILE A 4 -1.028 19.143 5.746 1.00 0.00 H new ATOM 0 HA ILE A 4 1.363 18.553 7.045 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.464 16.714 5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.701 17.976 7.126 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.604 16.279 7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.397 14.931 6.907 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.693 15.670 5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.516 16.095 7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.265 17.698 9.517 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.211 16.773 9.154 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.112 18.496 8.720 1.00 0.00 H new ATOM 70 N HIS A 5 1.394 18.014 3.778 1.00 0.00 N ATOM 71 CA HIS A 5 2.267 17.793 2.631 1.00 0.00 C ATOM 72 C HIS A 5 1.682 18.422 1.372 1.00 0.00 C ATOM 73 O HIS A 5 2.329 18.451 0.325 1.00 0.00 O ATOM 74 CB HIS A 5 2.485 16.294 2.412 1.00 0.00 C ATOM 75 CG HIS A 5 1.235 15.550 2.056 1.00 0.00 C ATOM 76 ND1 HIS A 5 1.014 15.004 0.810 1.00 0.00 N ATOM 77 CD2 HIS A 5 0.136 15.256 2.792 1.00 0.00 C ATOM 78 CE1 HIS A 5 -0.164 14.408 0.792 1.00 0.00 C ATOM 79 NE2 HIS A 5 -0.717 14.546 1.983 1.00 0.00 N ATOM 0 H HIS A 5 0.411 18.144 3.541 1.00 0.00 H new ATOM 0 HA HIS A 5 3.226 18.267 2.839 1.00 0.00 H new ATOM 0 HB2 HIS A 5 3.219 16.155 1.618 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.909 15.861 3.318 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -0.037 15.529 3.823 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -0.601 13.895 -0.052 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -1.630 14.184 2.258 1.00 0.00 H new ATOM 88 N ALA A 6 0.452 18.922 1.485 1.00 0.00 N ATOM 89 CA ALA A 6 -0.237 19.554 0.363 1.00 0.00 C ATOM 90 C ALA A 6 -0.512 18.554 -0.757 1.00 0.00 C ATOM 91 O ALA A 6 -1.619 18.026 -0.870 1.00 0.00 O ATOM 92 CB ALA A 6 0.569 20.736 -0.160 1.00 0.00 C ATOM 0 H ALA A 6 -0.090 18.901 2.349 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.198 19.919 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.041 21.195 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.697 21.470 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.547 20.390 -0.495 1.00 0.00 H new ATOM 98 N ARG A 7 0.498 18.299 -1.584 1.00 0.00 N ATOM 99 CA ARG A 7 0.362 17.364 -2.694 1.00 0.00 C ATOM 100 C ARG A 7 1.682 16.653 -2.973 1.00 0.00 C ATOM 101 O ARG A 7 2.686 17.290 -3.292 1.00 0.00 O ATOM 102 CB ARG A 7 -0.111 18.101 -3.949 1.00 0.00 C ATOM 103 CG ARG A 7 -0.327 17.193 -5.150 1.00 0.00 C ATOM 104 CD ARG A 7 -1.435 16.182 -4.899 1.00 0.00 C ATOM 105 NE ARG A 7 -1.740 15.396 -6.092 1.00 0.00 N ATOM 106 CZ ARG A 7 -2.518 14.318 -6.089 1.00 0.00 C ATOM 107 NH1 ARG A 7 -3.062 13.889 -4.957 1.00 0.00 N ATOM 108 NH2 ARG A 7 -2.753 13.665 -7.219 1.00 0.00 N ATOM 0 H ARG A 7 1.420 18.728 -1.505 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.380 16.614 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.043 18.619 -3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.623 18.864 -4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.576 17.797 -6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.600 16.667 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.139 15.514 -4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.334 16.703 -4.569 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.332 15.692 -6.979 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.884 14.387 -4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.658 13.061 -4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.337 13.990 -8.092 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.350 12.838 -7.215 1.00 0.00 H new ATOM 122 N SER A 8 1.674 15.330 -2.850 1.00 0.00 N ATOM 123 CA SER A 8 2.869 14.532 -3.091 1.00 0.00 C ATOM 124 C SER A 8 2.552 13.328 -3.971 1.00 0.00 C ATOM 125 O SER A 8 1.494 12.710 -3.837 1.00 0.00 O ATOM 126 CB SER A 8 3.470 14.064 -1.764 1.00 0.00 C ATOM 127 OG SER A 8 3.819 15.165 -0.944 1.00 0.00 O ATOM 0 H SER A 8 0.852 14.788 -2.584 1.00 0.00 H new ATOM 0 HA SER A 8 3.594 15.158 -3.611 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.754 13.430 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.354 13.456 -1.956 1.00 0.00 H new ATOM 0 HG SER A 8 3.053 15.413 -0.386 1.00 0.00 H new ATOM 133 N THR A 9 3.471 12.999 -4.873 1.00 0.00 N ATOM 134 CA THR A 9 3.290 11.867 -5.774 1.00 0.00 C ATOM 135 C THR A 9 4.086 10.659 -5.293 1.00 0.00 C ATOM 136 O THR A 9 3.872 9.535 -5.748 1.00 0.00 O ATOM 137 CB THR A 9 3.717 12.220 -7.213 1.00 0.00 C ATOM 138 OG1 THR A 9 3.102 13.448 -7.619 1.00 0.00 O ATOM 139 CG2 THR A 9 3.330 11.114 -8.185 1.00 0.00 C ATOM 0 H THR A 9 4.350 13.501 -4.999 1.00 0.00 H new ATOM 0 HA THR A 9 2.228 11.622 -5.774 1.00 0.00 H new ATOM 0 HB THR A 9 4.801 12.331 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.379 13.666 -8.533 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.643 11.389 -9.192 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.821 10.185 -7.893 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.249 10.975 -8.166 1.00 0.00 H new ATOM 147 N ARG A 10 4.998 10.903 -4.361 1.00 0.00 N ATOM 148 CA ARG A 10 5.837 9.844 -3.809 1.00 0.00 C ATOM 149 C ARG A 10 5.306 9.369 -2.461 1.00 0.00 C ATOM 150 O ARG A 10 4.626 10.112 -1.751 1.00 0.00 O ATOM 151 CB ARG A 10 7.276 10.337 -3.658 1.00 0.00 C ATOM 152 CG ARG A 10 7.918 10.741 -4.975 1.00 0.00 C ATOM 153 CD ARG A 10 9.377 11.122 -4.791 1.00 0.00 C ATOM 154 NE ARG A 10 9.999 11.515 -6.052 1.00 0.00 N ATOM 155 CZ ARG A 10 11.305 11.434 -6.288 1.00 0.00 C ATOM 156 NH1 ARG A 10 12.124 10.974 -5.351 1.00 0.00 N ATOM 157 NH2 ARG A 10 11.793 11.812 -7.462 1.00 0.00 N ATOM 0 H ARG A 10 5.177 11.828 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 10 5.816 9.002 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.291 11.189 -2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.875 9.552 -3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.843 9.917 -5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.373 11.582 -5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.451 11.943 -4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.921 10.280 -4.364 1.00 0.00 H new ATOM 0 HE ARG A 10 9.397 11.872 -6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.752 10.682 -4.447 1.00 0.00 H new ATOM 0 HH12 ARG A 10 13.126 10.913 -5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.166 12.165 -8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.795 11.749 -7.642 1.00 0.00 H new ATOM 171 N LYS A 11 5.622 8.124 -2.114 1.00 0.00 N ATOM 172 CA LYS A 11 5.180 7.541 -0.852 1.00 0.00 C ATOM 173 C LYS A 11 6.016 8.067 0.311 1.00 0.00 C ATOM 174 O LYS A 11 7.182 8.423 0.139 1.00 0.00 O ATOM 175 CB LYS A 11 5.272 6.015 -0.913 1.00 0.00 C ATOM 176 CG LYS A 11 6.670 5.500 -1.213 1.00 0.00 C ATOM 177 CD LYS A 11 6.696 3.983 -1.335 1.00 0.00 C ATOM 178 CE LYS A 11 6.436 3.308 0.002 1.00 0.00 C ATOM 179 NZ LYS A 11 6.454 1.824 -0.110 1.00 0.00 N ATOM 0 H LYS A 11 6.184 7.499 -2.691 1.00 0.00 H new ATOM 0 HA LYS A 11 4.142 7.829 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.938 5.601 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.587 5.649 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.031 5.946 -2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.351 5.813 -0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.945 3.663 -2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.665 3.665 -1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.190 3.626 0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.470 3.631 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.273 1.403 0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.717 1.517 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.385 1.513 -0.455 1.00 0.00 H new ATOM 193 N LYS A 12 5.412 8.113 1.495 1.00 0.00 N ATOM 194 CA LYS A 12 6.102 8.598 2.685 1.00 0.00 C ATOM 195 C LYS A 12 5.310 8.254 3.945 1.00 0.00 C ATOM 196 O LYS A 12 5.335 8.992 4.930 1.00 0.00 O ATOM 197 CB LYS A 12 6.316 10.112 2.585 1.00 0.00 C ATOM 198 CG LYS A 12 7.308 10.662 3.597 1.00 0.00 C ATOM 199 CD LYS A 12 7.578 12.139 3.360 1.00 0.00 C ATOM 200 CE LYS A 12 8.516 12.712 4.408 1.00 0.00 C ATOM 201 NZ LYS A 12 7.949 12.607 5.780 1.00 0.00 N ATOM 0 H LYS A 12 4.448 7.821 1.655 1.00 0.00 H new ATOM 0 HA LYS A 12 7.073 8.107 2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.664 10.354 1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.358 10.614 2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.919 10.518 4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.243 10.105 3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.012 12.276 2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.637 12.688 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.469 12.185 4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.720 13.758 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.474 13.235 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.947 12.887 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.029 11.626 6.115 1.00 0.00 H new ATOM 215 N ARG A 13 4.608 7.122 3.905 1.00 0.00 N ATOM 216 CA ARG A 13 3.807 6.668 5.039 1.00 0.00 C ATOM 217 C ARG A 13 2.702 7.669 5.359 1.00 0.00 C ATOM 218 O ARG A 13 2.197 7.718 6.480 1.00 0.00 O ATOM 219 CB ARG A 13 4.695 6.458 6.267 1.00 0.00 C ATOM 220 CG ARG A 13 5.819 5.464 6.039 1.00 0.00 C ATOM 221 CD ARG A 13 6.646 5.259 7.297 1.00 0.00 C ATOM 222 NE ARG A 13 7.762 4.345 7.073 1.00 0.00 N ATOM 223 CZ ARG A 13 8.711 4.102 7.974 1.00 0.00 C ATOM 224 NH1 ARG A 13 8.680 4.707 9.154 1.00 0.00 N ATOM 225 NH2 ARG A 13 9.689 3.254 7.695 1.00 0.00 N ATOM 0 H ARG A 13 4.579 6.501 3.096 1.00 0.00 H new ATOM 0 HA ARG A 13 3.345 5.719 4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.122 7.416 6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.078 6.113 7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.402 4.510 5.717 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.462 5.819 5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.028 6.220 7.641 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.009 4.867 8.090 1.00 0.00 H new ATOM 0 HE ARG A 13 7.818 3.865 6.175 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.928 5.360 9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.408 4.519 9.843 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.716 2.786 6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.416 3.068 8.386 1.00 0.00 H new ATOM 239 N CYS A 14 2.328 8.460 4.360 1.00 0.00 N ATOM 240 CA CYS A 14 1.281 9.464 4.525 1.00 0.00 C ATOM 241 C CYS A 14 0.335 9.494 3.319 1.00 0.00 C ATOM 242 O CYS A 14 -0.884 9.456 3.493 1.00 0.00 O ATOM 243 CB CYS A 14 1.895 10.848 4.754 1.00 0.00 C ATOM 244 SG CYS A 14 0.679 12.173 4.950 1.00 0.00 S ATOM 0 H CYS A 14 2.734 8.426 3.425 1.00 0.00 H new ATOM 0 HA CYS A 14 0.695 9.188 5.402 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.524 10.812 5.644 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.546 11.088 3.913 1.00 0.00 H new ATOM 0 HG CYS A 14 1.294 13.302 5.140 1.00 0.00 H new ATOM 250 N PRO A 15 0.868 9.564 2.077 1.00 0.00 N ATOM 251 CA PRO A 15 0.042 9.594 0.874 1.00 0.00 C ATOM 252 C PRO A 15 -0.294 8.201 0.372 1.00 0.00 C ATOM 253 O PRO A 15 -0.491 7.982 -0.825 1.00 0.00 O ATOM 254 CB PRO A 15 0.926 10.323 -0.126 1.00 0.00 C ATOM 255 CG PRO A 15 2.332 10.037 0.290 1.00 0.00 C ATOM 256 CD PRO A 15 2.303 9.616 1.740 1.00 0.00 C ATOM 0 HA PRO A 15 -0.923 10.072 1.045 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.740 9.973 -1.141 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.726 11.394 -0.117 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.762 9.249 -0.329 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.957 10.921 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 15 2.780 8.646 1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 15 2.834 10.328 2.371 1.00 0.00 H new ATOM 264 N TYR A 16 -0.359 7.270 1.304 1.00 0.00 N ATOM 265 CA TYR A 16 -0.671 5.885 1.000 1.00 0.00 C ATOM 266 C TYR A 16 -2.015 5.768 0.290 1.00 0.00 C ATOM 267 O TYR A 16 -2.819 6.700 0.298 1.00 0.00 O ATOM 268 CB TYR A 16 -0.684 5.059 2.287 1.00 0.00 C ATOM 269 CG TYR A 16 -1.298 5.784 3.464 1.00 0.00 C ATOM 270 CD1 TYR A 16 -2.669 5.990 3.542 1.00 0.00 C ATOM 271 CD2 TYR A 16 -0.502 6.266 4.498 1.00 0.00 C ATOM 272 CE1 TYR A 16 -3.230 6.657 4.614 1.00 0.00 C ATOM 273 CE2 TYR A 16 -1.058 6.931 5.574 1.00 0.00 C ATOM 274 CZ TYR A 16 -2.422 7.125 5.627 1.00 0.00 C ATOM 275 OH TYR A 16 -2.980 7.787 6.695 1.00 0.00 O ATOM 0 H TYR A 16 -0.197 7.452 2.295 1.00 0.00 H new ATOM 0 HA TYR A 16 0.100 5.500 0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.236 4.136 2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.338 4.776 2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.307 5.623 2.752 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.567 6.118 4.459 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.298 6.811 4.658 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.427 7.297 6.370 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.274 8.050 7.322 1.00 0.00 H new ATOM 285 N THR A 17 -2.246 4.614 -0.319 1.00 0.00 N ATOM 286 CA THR A 17 -3.490 4.362 -1.038 1.00 0.00 C ATOM 287 C THR A 17 -4.534 3.733 -0.121 1.00 0.00 C ATOM 288 O THR A 17 -4.225 3.328 0.999 1.00 0.00 O ATOM 289 CB THR A 17 -3.261 3.438 -2.249 1.00 0.00 C ATOM 290 OG1 THR A 17 -4.497 3.217 -2.938 1.00 0.00 O ATOM 291 CG2 THR A 17 -2.675 2.105 -1.810 1.00 0.00 C ATOM 0 H THR A 17 -1.588 3.835 -0.330 1.00 0.00 H new ATOM 0 HA THR A 17 -3.854 5.327 -1.392 1.00 0.00 H new ATOM 0 HB THR A 17 -2.553 3.925 -2.920 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.342 2.630 -3.707 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.522 1.470 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.720 2.274 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.362 1.615 -1.120 1.00 0.00 H new ATOM 299 N LYS A 18 -5.770 3.655 -0.605 1.00 0.00 N ATOM 300 CA LYS A 18 -6.862 3.074 0.170 1.00 0.00 C ATOM 301 C LYS A 18 -6.531 1.644 0.581 1.00 0.00 C ATOM 302 O LYS A 18 -6.975 1.167 1.626 1.00 0.00 O ATOM 303 CB LYS A 18 -8.161 3.098 -0.640 1.00 0.00 C ATOM 304 CG LYS A 18 -8.509 4.467 -1.207 1.00 0.00 C ATOM 305 CD LYS A 18 -8.687 5.503 -0.107 1.00 0.00 C ATOM 306 CE LYS A 18 -8.966 6.882 -0.682 1.00 0.00 C ATOM 307 NZ LYS A 18 -7.847 7.364 -1.539 1.00 0.00 N ATOM 0 H LYS A 18 -6.041 3.987 -1.531 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.995 3.672 1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.079 2.386 -1.461 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.980 2.760 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.721 4.790 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.426 4.396 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.509 5.206 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.789 5.539 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.885 6.852 -1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.130 7.588 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.941 8.389 -1.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.940 7.164 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.877 6.876 -2.457 1.00 0.00 H new ATOM 321 N TYR A 19 -5.751 0.964 -0.253 1.00 0.00 N ATOM 322 CA TYR A 19 -5.350 -0.410 0.011 1.00 0.00 C ATOM 323 C TYR A 19 -4.411 -0.489 1.210 1.00 0.00 C ATOM 324 O TYR A 19 -4.612 -1.292 2.124 1.00 0.00 O ATOM 325 CB TYR A 19 -4.661 -0.990 -1.224 1.00 0.00 C ATOM 326 CG TYR A 19 -4.712 -2.496 -1.295 1.00 0.00 C ATOM 327 CD1 TYR A 19 -5.887 -3.151 -1.634 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.586 -3.262 -1.024 1.00 0.00 C ATOM 329 CE1 TYR A 19 -5.941 -4.530 -1.701 1.00 0.00 C ATOM 330 CE2 TYR A 19 -3.630 -4.642 -1.090 1.00 0.00 C ATOM 331 CZ TYR A 19 -4.809 -5.271 -1.428 1.00 0.00 C ATOM 332 OH TYR A 19 -4.858 -6.645 -1.494 1.00 0.00 O ATOM 0 H TYR A 19 -5.383 1.347 -1.123 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.244 -0.990 0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.129 -0.577 -2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.619 -0.670 -1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.774 -2.574 -1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.661 -2.772 -0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.864 -5.025 -1.965 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.745 -5.224 -0.878 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.977 -7.015 -1.275 1.00 0.00 H new ATOM 342 N GLN A 20 -3.383 0.353 1.197 1.00 0.00 N ATOM 343 CA GLN A 20 -2.401 0.383 2.275 1.00 0.00 C ATOM 344 C GLN A 20 -3.055 0.696 3.617 1.00 0.00 C ATOM 345 O GLN A 20 -2.883 -0.042 4.587 1.00 0.00 O ATOM 346 CB GLN A 20 -1.310 1.412 1.972 1.00 0.00 C ATOM 347 CG GLN A 20 -0.420 1.024 0.803 1.00 0.00 C ATOM 348 CD GLN A 20 0.709 2.012 0.578 1.00 0.00 C ATOM 349 OE1 GLN A 20 1.790 1.879 1.153 1.00 0.00 O ATOM 350 NE2 GLN A 20 0.465 3.010 -0.263 1.00 0.00 N ATOM 0 H GLN A 20 -3.208 1.025 0.450 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.951 -0.608 2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.777 2.374 1.759 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.692 1.547 2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.001 0.034 0.983 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.024 0.955 -0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.445 3.083 -0.718 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.188 3.704 -0.454 1.00 0.00 H new ATOM 359 N THR A 21 -3.808 1.790 3.668 1.00 0.00 N ATOM 360 CA THR A 21 -4.480 2.198 4.897 1.00 0.00 C ATOM 361 C THR A 21 -5.506 1.160 5.343 1.00 0.00 C ATOM 362 O THR A 21 -5.849 1.084 6.522 1.00 0.00 O ATOM 363 CB THR A 21 -5.182 3.558 4.728 1.00 0.00 C ATOM 364 OG1 THR A 21 -5.852 3.921 5.941 1.00 0.00 O ATOM 365 CG2 THR A 21 -6.182 3.512 3.584 1.00 0.00 C ATOM 0 H THR A 21 -3.968 2.409 2.874 1.00 0.00 H new ATOM 0 HA THR A 21 -3.707 2.287 5.661 1.00 0.00 H new ATOM 0 HB THR A 21 -4.423 4.306 4.497 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.294 4.788 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.665 4.484 3.484 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.663 3.267 2.657 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.935 2.752 3.790 1.00 0.00 H new ATOM 373 N LEU A 22 -5.989 0.362 4.395 1.00 0.00 N ATOM 374 CA LEU A 22 -6.976 -0.673 4.687 1.00 0.00 C ATOM 375 C LEU A 22 -6.414 -1.706 5.665 1.00 0.00 C ATOM 376 O LEU A 22 -7.066 -2.062 6.644 1.00 0.00 O ATOM 377 CB LEU A 22 -7.427 -1.347 3.382 1.00 0.00 C ATOM 378 CG LEU A 22 -7.546 -2.875 3.423 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.752 -3.303 4.245 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.635 -3.441 2.014 1.00 0.00 C ATOM 0 H LEU A 22 -5.712 0.413 3.415 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.840 -0.206 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.395 -0.934 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.723 -1.078 2.595 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.650 -3.272 3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.815 -4.391 4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.647 -2.932 5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.659 -2.893 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.719 -4.527 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.512 -3.031 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.738 -3.171 1.456 1.00 0.00 H new ATOM 392 N GLU A 23 -5.207 -2.186 5.391 1.00 0.00 N ATOM 393 CA GLU A 23 -4.572 -3.181 6.252 1.00 0.00 C ATOM 394 C GLU A 23 -4.098 -2.554 7.561 1.00 0.00 C ATOM 395 O GLU A 23 -4.215 -3.158 8.629 1.00 0.00 O ATOM 396 CB GLU A 23 -3.396 -3.832 5.523 1.00 0.00 C ATOM 397 CG GLU A 23 -3.815 -4.670 4.329 1.00 0.00 C ATOM 398 CD GLU A 23 -4.678 -5.853 4.722 1.00 0.00 C ATOM 399 OE1 GLU A 23 -5.915 -5.696 4.771 1.00 0.00 O ATOM 400 OE2 GLU A 23 -4.115 -6.937 4.982 1.00 0.00 O ATOM 0 H GLU A 23 -4.649 -1.905 4.584 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.312 -3.945 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.710 -3.054 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.847 -4.461 6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.362 -4.044 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.925 -5.030 3.812 1.00 0.00 H new ATOM 407 N LEU A 24 -3.570 -1.339 7.470 1.00 0.00 N ATOM 408 CA LEU A 24 -3.072 -0.631 8.644 1.00 0.00 C ATOM 409 C LEU A 24 -4.198 -0.319 9.626 1.00 0.00 C ATOM 410 O LEU A 24 -3.998 -0.349 10.840 1.00 0.00 O ATOM 411 CB LEU A 24 -2.371 0.663 8.223 1.00 0.00 C ATOM 412 CG LEU A 24 -1.187 0.480 7.270 1.00 0.00 C ATOM 413 CD1 LEU A 24 -0.597 1.828 6.886 1.00 0.00 C ATOM 414 CD2 LEU A 24 -0.123 -0.408 7.902 1.00 0.00 C ATOM 0 H LEU A 24 -3.476 -0.823 6.595 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.356 -1.281 9.147 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.103 1.316 7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.021 1.176 9.119 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.548 -0.008 6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.243 1.678 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.359 2.431 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.252 2.343 7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.710 -0.526 7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.234 0.051 8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.551 -1.385 8.125 1.00 0.00 H new ATOM 426 N GLU A 25 -5.384 -0.026 9.098 1.00 0.00 N ATOM 427 CA GLU A 25 -6.533 0.294 9.940 1.00 0.00 C ATOM 428 C GLU A 25 -7.143 -0.972 10.530 1.00 0.00 C ATOM 429 O GLU A 25 -7.737 -0.940 11.608 1.00 0.00 O ATOM 430 CB GLU A 25 -7.590 1.065 9.145 1.00 0.00 C ATOM 431 CG GLU A 25 -8.285 0.233 8.080 1.00 0.00 C ATOM 432 CD GLU A 25 -9.380 0.997 7.362 1.00 0.00 C ATOM 433 OE1 GLU A 25 -10.533 0.971 7.839 1.00 0.00 O ATOM 434 OE2 GLU A 25 -9.083 1.620 6.321 1.00 0.00 O ATOM 0 H GLU A 25 -5.574 -0.004 8.096 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.183 0.924 10.758 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.339 1.453 9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.118 1.925 8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.548 -0.107 7.352 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.712 -0.657 8.542 1.00 0.00 H new ATOM 441 N LYS A 26 -6.993 -2.086 9.820 1.00 0.00 N ATOM 442 CA LYS A 26 -7.526 -3.364 10.279 1.00 0.00 C ATOM 443 C LYS A 26 -6.925 -3.750 11.625 1.00 0.00 C ATOM 444 O LYS A 26 -7.630 -4.215 12.521 1.00 0.00 O ATOM 445 CB LYS A 26 -7.248 -4.460 9.249 1.00 0.00 C ATOM 446 CG LYS A 26 -8.231 -4.471 8.088 1.00 0.00 C ATOM 447 CD LYS A 26 -9.603 -4.978 8.513 1.00 0.00 C ATOM 448 CE LYS A 26 -9.550 -6.426 8.978 1.00 0.00 C ATOM 449 NZ LYS A 26 -10.900 -6.945 9.330 1.00 0.00 N ATOM 0 H LYS A 26 -6.507 -2.129 8.924 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.604 -3.257 10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.239 -4.331 8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.276 -5.429 9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.325 -3.464 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.842 -5.102 7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.989 -4.352 9.317 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.298 -4.889 7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.117 -7.044 8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.893 -6.505 9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.821 -7.934 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.303 -6.371 10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.520 -6.893 8.497 1.00 0.00 H new ATOM 463 N GLU A 27 -5.617 -3.554 11.759 1.00 0.00 N ATOM 464 CA GLU A 27 -4.921 -3.877 13.000 1.00 0.00 C ATOM 465 C GLU A 27 -5.027 -2.723 13.989 1.00 0.00 C ATOM 466 O GLU A 27 -5.116 -2.936 15.197 1.00 0.00 O ATOM 467 CB GLU A 27 -3.448 -4.185 12.722 1.00 0.00 C ATOM 468 CG GLU A 27 -3.234 -5.219 11.630 1.00 0.00 C ATOM 469 CD GLU A 27 -1.780 -5.325 11.208 1.00 0.00 C ATOM 470 OE1 GLU A 27 -1.287 -4.392 10.542 1.00 0.00 O ATOM 471 OE2 GLU A 27 -1.137 -6.342 11.541 1.00 0.00 O ATOM 0 H GLU A 27 -5.019 -3.174 11.025 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.393 -4.759 13.434 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.940 -3.262 12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.981 -4.539 13.641 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.579 -6.191 11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.843 -4.959 10.764 1.00 0.00 H new ATOM 478 N PHE A 28 -5.021 -1.505 13.459 1.00 0.00 N ATOM 479 CA PHE A 28 -5.118 -0.297 14.275 1.00 0.00 C ATOM 480 C PHE A 28 -6.265 -0.398 15.280 1.00 0.00 C ATOM 481 O PHE A 28 -6.268 0.286 16.304 1.00 0.00 O ATOM 482 CB PHE A 28 -5.314 0.927 13.375 1.00 0.00 C ATOM 483 CG PHE A 28 -5.503 2.214 14.130 1.00 0.00 C ATOM 484 CD1 PHE A 28 -4.413 2.925 14.606 1.00 0.00 C ATOM 485 CD2 PHE A 28 -6.776 2.712 14.361 1.00 0.00 C ATOM 486 CE1 PHE A 28 -4.589 4.108 15.299 1.00 0.00 C ATOM 487 CE2 PHE A 28 -6.958 3.893 15.053 1.00 0.00 C ATOM 488 CZ PHE A 28 -5.863 4.593 15.522 1.00 0.00 C ATOM 0 H PHE A 28 -4.949 -1.326 12.457 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.189 -0.190 14.834 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.449 1.026 12.719 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.181 0.761 12.736 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.415 2.551 14.434 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.636 2.170 13.995 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.731 4.652 15.666 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -7.955 4.269 15.227 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.003 5.518 16.062 1.00 0.00 H new ATOM 498 N LEU A 29 -7.235 -1.255 14.982 1.00 0.00 N ATOM 499 CA LEU A 29 -8.393 -1.428 15.848 1.00 0.00 C ATOM 500 C LEU A 29 -7.980 -1.952 17.212 1.00 0.00 C ATOM 501 O LEU A 29 -8.193 -1.302 18.237 1.00 0.00 O ATOM 502 CB LEU A 29 -9.399 -2.392 15.213 1.00 0.00 C ATOM 503 CG LEU A 29 -9.655 -2.185 13.717 1.00 0.00 C ATOM 504 CD1 LEU A 29 -10.644 -3.220 13.199 1.00 0.00 C ATOM 505 CD2 LEU A 29 -10.167 -0.779 13.448 1.00 0.00 C ATOM 0 H LEU A 29 -7.242 -1.841 14.147 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.861 -0.452 15.975 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.045 -3.412 15.366 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.347 -2.301 15.742 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.711 -2.312 13.187 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.815 -3.059 12.135 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.239 -4.220 13.354 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.587 -3.123 13.737 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.342 -0.654 12.379 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.100 -0.622 13.989 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.427 -0.052 13.782 1.00 0.00 H new ATOM 517 N PHE A 30 -7.391 -3.131 17.208 1.00 0.00 N ATOM 518 CA PHE A 30 -6.947 -3.775 18.437 1.00 0.00 C ATOM 519 C PHE A 30 -5.430 -3.706 18.581 1.00 0.00 C ATOM 520 O PHE A 30 -4.913 -3.202 19.577 1.00 0.00 O ATOM 521 CB PHE A 30 -7.412 -5.234 18.453 1.00 0.00 C ATOM 522 CG PHE A 30 -7.565 -5.816 19.833 1.00 0.00 C ATOM 523 CD1 PHE A 30 -8.323 -5.165 20.796 1.00 0.00 C ATOM 524 CD2 PHE A 30 -6.957 -7.016 20.162 1.00 0.00 C ATOM 525 CE1 PHE A 30 -8.468 -5.702 22.062 1.00 0.00 C ATOM 526 CE2 PHE A 30 -7.101 -7.559 21.426 1.00 0.00 C ATOM 527 CZ PHE A 30 -7.857 -6.901 22.376 1.00 0.00 C ATOM 0 H PHE A 30 -7.206 -3.670 16.362 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.388 -3.244 19.280 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.367 -5.305 17.932 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.698 -5.838 17.893 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.805 -4.229 20.554 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.364 -7.534 19.423 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.058 -5.185 22.804 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.623 -8.496 21.670 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.971 -7.323 23.364 1.00 0.00 H new ATOM 537 N ASN A 31 -4.738 -4.200 17.558 1.00 0.00 N ATOM 538 CA ASN A 31 -3.269 -4.243 17.526 1.00 0.00 C ATOM 539 C ASN A 31 -2.657 -4.499 18.902 1.00 0.00 C ATOM 540 O ASN A 31 -1.550 -4.040 19.187 1.00 0.00 O ATOM 541 CB ASN A 31 -2.705 -2.943 16.958 1.00 0.00 C ATOM 542 CG ASN A 31 -3.129 -1.729 17.758 1.00 0.00 C ATOM 543 OD1 ASN A 31 -2.425 -1.294 18.670 1.00 0.00 O ATOM 544 ND2 ASN A 31 -4.287 -1.177 17.423 1.00 0.00 N ATOM 0 H ASN A 31 -5.177 -4.585 16.722 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.000 -5.079 16.881 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.617 -3.000 16.940 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.036 -2.828 15.926 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.627 -0.359 17.928 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.838 -1.571 16.660 1.00 0.00 H new ATOM 551 N MET A 32 -3.363 -5.238 19.747 1.00 0.00 N ATOM 552 CA MET A 32 -2.871 -5.543 21.077 1.00 0.00 C ATOM 553 C MET A 32 -1.800 -6.623 21.023 1.00 0.00 C ATOM 554 O MET A 32 -0.912 -6.674 21.876 1.00 0.00 O ATOM 555 CB MET A 32 -4.026 -5.991 21.967 1.00 0.00 C ATOM 556 CG MET A 32 -4.979 -4.867 22.335 1.00 0.00 C ATOM 557 SD MET A 32 -4.148 -3.480 23.135 1.00 0.00 S ATOM 558 CE MET A 32 -3.444 -4.286 24.571 1.00 0.00 C ATOM 0 H MET A 32 -4.277 -5.636 19.532 1.00 0.00 H new ATOM 0 HA MET A 32 -2.425 -4.641 21.496 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.583 -6.777 21.457 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.622 -6.428 22.880 1.00 0.00 H new ATOM 0 HG2 MET A 32 -5.481 -4.513 21.435 1.00 0.00 H new ATOM 0 HG3 MET A 32 -5.751 -5.254 23.000 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.116 -3.532 25.287 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.196 -4.924 25.035 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.591 -4.892 24.266 1.00 0.00 H new ATOM 568 N TYR A 33 -1.888 -7.481 20.010 1.00 0.00 N ATOM 569 CA TYR A 33 -0.940 -8.566 19.834 1.00 0.00 C ATOM 570 C TYR A 33 -1.244 -9.352 18.564 1.00 0.00 C ATOM 571 O TYR A 33 -2.406 -9.533 18.199 1.00 0.00 O ATOM 572 CB TYR A 33 -0.972 -9.502 21.039 1.00 0.00 C ATOM 573 CG TYR A 33 -2.363 -9.942 21.444 1.00 0.00 C ATOM 574 CD1 TYR A 33 -2.981 -11.021 20.823 1.00 0.00 C ATOM 575 CD2 TYR A 33 -3.056 -9.281 22.450 1.00 0.00 C ATOM 576 CE1 TYR A 33 -4.250 -11.427 21.192 1.00 0.00 C ATOM 577 CE2 TYR A 33 -4.325 -9.681 22.825 1.00 0.00 C ATOM 578 CZ TYR A 33 -4.918 -10.755 22.193 1.00 0.00 C ATOM 579 OH TYR A 33 -6.180 -11.157 22.563 1.00 0.00 O ATOM 0 H TYR A 33 -2.615 -7.441 19.295 1.00 0.00 H new ATOM 0 HA TYR A 33 0.056 -8.131 19.746 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.374 -10.385 20.815 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.500 -9.003 21.885 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.461 -11.551 20.039 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.596 -8.440 22.948 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.716 -12.267 20.698 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.850 -9.155 23.609 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.510 -10.579 23.283 1.00 0.00 H new ATOM 589 N LEU A 34 -0.195 -9.813 17.895 1.00 0.00 N ATOM 590 CA LEU A 34 -0.351 -10.587 16.670 1.00 0.00 C ATOM 591 C LEU A 34 0.708 -11.678 16.574 1.00 0.00 C ATOM 592 O LEU A 34 1.562 -11.808 17.452 1.00 0.00 O ATOM 593 CB LEU A 34 -0.274 -9.676 15.444 1.00 0.00 C ATOM 594 CG LEU A 34 -1.460 -8.726 15.264 1.00 0.00 C ATOM 595 CD1 LEU A 34 -1.235 -7.824 14.064 1.00 0.00 C ATOM 596 CD2 LEU A 34 -2.756 -9.507 15.100 1.00 0.00 C ATOM 0 H LEU A 34 0.773 -9.664 18.180 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.333 -11.060 16.698 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.639 -9.084 15.508 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.189 -10.298 14.553 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.542 -8.108 16.158 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.087 -7.154 13.948 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.329 -7.237 14.215 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.128 -8.433 13.166 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.586 -8.812 14.974 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.685 -10.150 14.223 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.927 -10.119 15.986 1.00 0.00 H new ATOM 608 N THR A 35 0.645 -12.460 15.501 1.00 0.00 N ATOM 609 CA THR A 35 1.596 -13.542 15.285 1.00 0.00 C ATOM 610 C THR A 35 2.366 -13.341 13.984 1.00 0.00 C ATOM 611 O THR A 35 1.988 -12.517 13.150 1.00 0.00 O ATOM 612 CB THR A 35 0.888 -14.910 15.247 1.00 0.00 C ATOM 613 OG1 THR A 35 1.833 -15.946 14.952 1.00 0.00 O ATOM 614 CG2 THR A 35 -0.223 -14.917 14.207 1.00 0.00 C ATOM 0 H THR A 35 -0.057 -12.363 14.767 1.00 0.00 H new ATOM 0 HA THR A 35 2.293 -13.527 16.122 1.00 0.00 H new ATOM 0 HB THR A 35 0.447 -15.092 16.227 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.563 -16.411 14.133 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.708 -15.893 14.199 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.957 -14.149 14.453 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.199 -14.713 13.223 1.00 0.00 H new ATOM 622 N ARG A 36 3.449 -14.094 13.819 1.00 0.00 N ATOM 623 CA ARG A 36 4.268 -14.001 12.617 1.00 0.00 C ATOM 624 C ARG A 36 3.425 -14.260 11.377 1.00 0.00 C ATOM 625 O ARG A 36 3.624 -13.640 10.332 1.00 0.00 O ATOM 626 CB ARG A 36 5.418 -15.005 12.681 1.00 0.00 C ATOM 627 CG ARG A 36 6.496 -14.759 11.640 1.00 0.00 C ATOM 628 CD ARG A 36 7.684 -15.685 11.835 1.00 0.00 C ATOM 629 NE ARG A 36 8.712 -15.468 10.821 1.00 0.00 N ATOM 630 CZ ARG A 36 10.004 -15.728 11.009 1.00 0.00 C ATOM 631 NH1 ARG A 36 10.425 -16.224 12.165 1.00 0.00 N ATOM 632 NH2 ARG A 36 10.873 -15.492 10.036 1.00 0.00 N ATOM 0 H ARG A 36 3.779 -14.775 14.503 1.00 0.00 H new ATOM 0 HA ARG A 36 4.679 -12.993 12.559 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.867 -14.968 13.673 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.019 -16.011 12.549 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.080 -14.905 10.643 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.829 -13.723 11.698 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.111 -15.525 12.825 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.348 -16.721 11.796 1.00 0.00 H new ATOM 0 HE ARG A 36 8.423 -15.096 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.758 -16.408 12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.416 -16.422 12.305 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.551 -15.112 9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.863 -15.690 10.178 1.00 0.00 H new ATOM 646 N ASP A 37 2.482 -15.186 11.507 1.00 0.00 N ATOM 647 CA ASP A 37 1.590 -15.538 10.408 1.00 0.00 C ATOM 648 C ASP A 37 0.839 -14.310 9.905 1.00 0.00 C ATOM 649 O ASP A 37 0.558 -14.188 8.713 1.00 0.00 O ATOM 650 CB ASP A 37 0.595 -16.609 10.856 1.00 0.00 C ATOM 651 CG ASP A 37 1.278 -17.893 11.285 1.00 0.00 C ATOM 652 OD1 ASP A 37 1.684 -17.984 12.463 1.00 0.00 O ATOM 653 OD2 ASP A 37 1.406 -18.806 10.443 1.00 0.00 O ATOM 0 H ASP A 37 2.315 -15.709 12.367 1.00 0.00 H new ATOM 0 HA ASP A 37 2.196 -15.932 9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.000 -16.224 11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.095 -16.823 10.040 1.00 0.00 H new ATOM 658 N ARG A 38 0.519 -13.403 10.824 1.00 0.00 N ATOM 659 CA ARG A 38 -0.202 -12.184 10.477 1.00 0.00 C ATOM 660 C ARG A 38 0.727 -11.164 9.827 1.00 0.00 C ATOM 661 O ARG A 38 0.444 -10.662 8.741 1.00 0.00 O ATOM 662 CB ARG A 38 -0.860 -11.578 11.719 1.00 0.00 C ATOM 663 CG ARG A 38 -2.307 -12.008 11.914 1.00 0.00 C ATOM 664 CD ARG A 38 -3.205 -11.439 10.825 1.00 0.00 C ATOM 665 NE ARG A 38 -4.599 -11.841 10.998 1.00 0.00 N ATOM 666 CZ ARG A 38 -5.570 -11.517 10.149 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.300 -10.789 9.073 1.00 0.00 N ATOM 668 NH2 ARG A 38 -6.812 -11.920 10.375 1.00 0.00 N ATOM 0 H ARG A 38 0.748 -13.490 11.814 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.978 -12.448 9.759 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.284 -11.861 12.600 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.819 -10.491 11.648 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.369 -13.096 11.908 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.659 -11.674 12.890 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.138 -10.351 10.832 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.850 -11.774 9.851 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.841 -12.401 11.815 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.346 -10.476 8.895 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.047 -10.542 8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.024 -12.479 11.201 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.556 -11.671 9.723 1.00 0.00 H new ATOM 682 N ARG A 39 1.838 -10.863 10.493 1.00 0.00 N ATOM 683 CA ARG A 39 2.802 -9.900 9.971 1.00 0.00 C ATOM 684 C ARG A 39 3.228 -10.272 8.554 1.00 0.00 C ATOM 685 O ARG A 39 3.548 -9.404 7.743 1.00 0.00 O ATOM 686 CB ARG A 39 4.031 -9.829 10.881 1.00 0.00 C ATOM 687 CG ARG A 39 3.701 -9.567 12.343 1.00 0.00 C ATOM 688 CD ARG A 39 3.053 -8.205 12.544 1.00 0.00 C ATOM 689 NE ARG A 39 2.823 -7.918 13.958 1.00 0.00 N ATOM 690 CZ ARG A 39 2.153 -6.857 14.399 1.00 0.00 C ATOM 691 NH1 ARG A 39 1.646 -5.982 13.541 1.00 0.00 N ATOM 692 NH2 ARG A 39 1.992 -6.670 15.702 1.00 0.00 N ATOM 0 H ARG A 39 2.092 -11.271 11.393 1.00 0.00 H new ATOM 0 HA ARG A 39 2.321 -8.922 9.944 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.582 -10.767 10.805 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.692 -9.041 10.521 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.031 -10.345 12.709 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.613 -9.626 12.937 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.691 -7.432 12.115 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.105 -8.170 12.007 1.00 0.00 H new ATOM 0 HE ARG A 39 3.198 -8.569 14.647 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.769 -6.121 12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.133 -5.170 13.884 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.382 -7.340 16.365 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.478 -5.857 16.041 1.00 0.00 H new ATOM 706 N TYR A 40 3.220 -11.569 8.261 1.00 0.00 N ATOM 707 CA TYR A 40 3.616 -12.062 6.946 1.00 0.00 C ATOM 708 C TYR A 40 2.543 -11.787 5.895 1.00 0.00 C ATOM 709 O TYR A 40 2.809 -11.137 4.882 1.00 0.00 O ATOM 710 CB TYR A 40 3.900 -13.563 7.014 1.00 0.00 C ATOM 711 CG TYR A 40 4.481 -14.132 5.739 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.702 -13.683 5.247 1.00 0.00 C ATOM 713 CD2 TYR A 40 3.812 -15.121 5.028 1.00 0.00 C ATOM 714 CE1 TYR A 40 6.238 -14.204 4.085 1.00 0.00 C ATOM 715 CE2 TYR A 40 4.342 -15.645 3.865 1.00 0.00 C ATOM 716 CZ TYR A 40 5.555 -15.184 3.398 1.00 0.00 C ATOM 717 OH TYR A 40 6.085 -15.705 2.240 1.00 0.00 O ATOM 0 H TYR A 40 2.943 -12.299 8.918 1.00 0.00 H new ATOM 0 HA TYR A 40 4.520 -11.530 6.651 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.591 -13.756 7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.974 -14.089 7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.240 -12.914 5.782 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.862 -15.486 5.391 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.188 -13.845 3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.809 -16.412 3.324 1.00 0.00 H new ATOM 0 HH TYR A 40 5.479 -16.386 1.881 1.00 0.00 H new ATOM 727 N GLU A 41 1.333 -12.283 6.140 1.00 0.00 N ATOM 728 CA GLU A 41 0.226 -12.104 5.204 1.00 0.00 C ATOM 729 C GLU A 41 -0.053 -10.626 4.940 1.00 0.00 C ATOM 730 O GLU A 41 -0.223 -10.215 3.791 1.00 0.00 O ATOM 731 CB GLU A 41 -1.037 -12.795 5.729 1.00 0.00 C ATOM 732 CG GLU A 41 -1.502 -12.280 7.082 1.00 0.00 C ATOM 733 CD GLU A 41 -2.740 -12.996 7.582 1.00 0.00 C ATOM 734 OE1 GLU A 41 -2.592 -14.024 8.277 1.00 0.00 O ATOM 735 OE2 GLU A 41 -3.859 -12.529 7.279 1.00 0.00 O ATOM 0 H GLU A 41 1.094 -12.812 6.979 1.00 0.00 H new ATOM 0 HA GLU A 41 0.516 -12.564 4.259 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.840 -12.662 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.849 -13.866 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.698 -12.400 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.708 -11.212 7.009 1.00 0.00 H new ATOM 742 N VAL A 42 -0.100 -9.828 6.003 1.00 0.00 N ATOM 743 CA VAL A 42 -0.360 -8.400 5.871 1.00 0.00 C ATOM 744 C VAL A 42 0.775 -7.710 5.121 1.00 0.00 C ATOM 745 O VAL A 42 0.576 -6.671 4.493 1.00 0.00 O ATOM 746 CB VAL A 42 -0.549 -7.727 7.246 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.596 -8.470 8.060 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.771 -7.655 8.002 1.00 0.00 C ATOM 0 H VAL A 42 0.038 -10.146 6.962 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.285 -8.295 5.304 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.898 -6.707 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.718 -7.983 9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.546 -8.460 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.276 -9.501 8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.611 -7.176 8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.158 -8.662 8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.490 -7.074 7.424 1.00 0.00 H new ATOM 758 N ALA A 43 1.964 -8.302 5.188 1.00 0.00 N ATOM 759 CA ALA A 43 3.132 -7.752 4.511 1.00 0.00 C ATOM 760 C ALA A 43 3.133 -8.131 3.036 1.00 0.00 C ATOM 761 O ALA A 43 3.707 -7.430 2.203 1.00 0.00 O ATOM 762 CB ALA A 43 4.404 -8.246 5.177 1.00 0.00 C ATOM 0 H ALA A 43 2.143 -9.163 5.705 1.00 0.00 H new ATOM 0 HA ALA A 43 3.090 -6.665 4.586 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.270 -7.829 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.415 -7.930 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.442 -9.334 5.127 1.00 0.00 H new ATOM 768 N ARG A 44 2.482 -9.246 2.722 1.00 0.00 N ATOM 769 CA ARG A 44 2.405 -9.729 1.352 1.00 0.00 C ATOM 770 C ARG A 44 1.492 -8.841 0.516 1.00 0.00 C ATOM 771 O ARG A 44 1.735 -8.623 -0.671 1.00 0.00 O ATOM 772 CB ARG A 44 1.888 -11.167 1.335 1.00 0.00 C ATOM 773 CG ARG A 44 2.930 -12.198 1.731 1.00 0.00 C ATOM 774 CD ARG A 44 2.343 -13.601 1.755 1.00 0.00 C ATOM 775 NE ARG A 44 1.710 -13.956 0.487 1.00 0.00 N ATOM 776 CZ ARG A 44 1.048 -15.092 0.287 1.00 0.00 C ATOM 777 NH1 ARG A 44 0.932 -15.977 1.266 1.00 0.00 N ATOM 778 NH2 ARG A 44 0.497 -15.341 -0.895 1.00 0.00 N ATOM 0 H ARG A 44 1.999 -9.833 3.402 1.00 0.00 H new ATOM 0 HA ARG A 44 3.405 -9.700 0.920 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.037 -11.245 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.522 -11.400 0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.763 -12.163 1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.331 -11.953 2.715 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.132 -14.319 1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.609 -13.672 2.558 1.00 0.00 H new ATOM 0 HE ARG A 44 1.780 -13.296 -0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.351 -15.788 2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.424 -16.847 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.581 -14.661 -1.650 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.011 -16.212 -1.048 1.00 0.00 H new ATOM 792 N VAL A 45 0.442 -8.331 1.149 1.00 0.00 N ATOM 793 CA VAL A 45 -0.520 -7.474 0.473 1.00 0.00 C ATOM 794 C VAL A 45 -0.096 -6.009 0.526 1.00 0.00 C ATOM 795 O VAL A 45 -0.465 -5.217 -0.340 1.00 0.00 O ATOM 796 CB VAL A 45 -1.922 -7.627 1.095 1.00 0.00 C ATOM 797 CG1 VAL A 45 -2.284 -9.097 1.210 1.00 0.00 C ATOM 798 CG2 VAL A 45 -1.989 -6.953 2.459 1.00 0.00 C ATOM 0 H VAL A 45 0.236 -8.498 2.134 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.554 -7.788 -0.570 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.644 -7.136 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.276 -9.194 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.281 -9.551 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.555 -9.603 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.988 -7.075 2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.258 -7.410 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.768 -5.891 2.351 1.00 0.00 H new ATOM 808 N LEU A 46 0.680 -5.657 1.546 1.00 0.00 N ATOM 809 CA LEU A 46 1.149 -4.286 1.712 1.00 0.00 C ATOM 810 C LEU A 46 2.539 -4.101 1.110 1.00 0.00 C ATOM 811 O LEU A 46 3.081 -2.995 1.113 1.00 0.00 O ATOM 812 CB LEU A 46 1.168 -3.906 3.194 1.00 0.00 C ATOM 813 CG LEU A 46 -0.202 -3.802 3.864 1.00 0.00 C ATOM 814 CD1 LEU A 46 -0.038 -3.435 5.330 1.00 0.00 C ATOM 815 CD2 LEU A 46 -1.068 -2.778 3.146 1.00 0.00 C ATOM 0 H LEU A 46 0.997 -6.302 2.270 1.00 0.00 H new ATOM 0 HA LEU A 46 0.457 -3.630 1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.762 -4.644 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.678 -2.949 3.299 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.699 -4.770 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.019 -3.363 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.550 -4.203 5.834 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.473 -2.476 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.040 -2.716 3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.582 -1.803 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.203 -3.080 2.108 1.00 0.00 H new ATOM 827 N ASN A 47 3.108 -5.186 0.594 1.00 0.00 N ATOM 828 CA ASN A 47 4.436 -5.146 -0.015 1.00 0.00 C ATOM 829 C ASN A 47 5.476 -4.649 0.983 1.00 0.00 C ATOM 830 O ASN A 47 6.453 -4.000 0.608 1.00 0.00 O ATOM 831 CB ASN A 47 4.430 -4.248 -1.255 1.00 0.00 C ATOM 832 CG ASN A 47 3.497 -4.756 -2.338 1.00 0.00 C ATOM 833 OD1 ASN A 47 2.491 -5.407 -2.055 1.00 0.00 O ATOM 834 ND2 ASN A 47 3.828 -4.456 -3.589 1.00 0.00 N ATOM 0 H ASN A 47 2.670 -6.107 0.585 1.00 0.00 H new ATOM 0 HA ASN A 47 4.700 -6.160 -0.314 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.132 -3.240 -0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 47 5.442 -4.180 -1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.239 -4.768 -4.361 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.671 -3.914 -3.777 1.00 0.00 H new ATOM 841 N LEU A 48 5.261 -4.966 2.254 1.00 0.00 N ATOM 842 CA LEU A 48 6.175 -4.555 3.312 1.00 0.00 C ATOM 843 C LEU A 48 6.902 -5.761 3.896 1.00 0.00 C ATOM 844 O LEU A 48 6.690 -6.893 3.463 1.00 0.00 O ATOM 845 CB LEU A 48 5.414 -3.817 4.418 1.00 0.00 C ATOM 846 CG LEU A 48 4.472 -2.711 3.933 1.00 0.00 C ATOM 847 CD1 LEU A 48 3.841 -1.992 5.116 1.00 0.00 C ATOM 848 CD2 LEU A 48 5.211 -1.726 3.040 1.00 0.00 C ATOM 0 H LEU A 48 4.460 -5.508 2.577 1.00 0.00 H new ATOM 0 HA LEU A 48 6.913 -3.880 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.833 -4.544 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.138 -3.380 5.106 1.00 0.00 H new ATOM 0 HG LEU A 48 3.678 -3.172 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.175 -1.209 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.272 -2.704 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.623 -1.546 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.522 -0.949 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.029 -1.271 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.612 -2.251 2.173 1.00 0.00 H new ATOM 860 N THR A 49 7.770 -5.510 4.869 1.00 0.00 N ATOM 861 CA THR A 49 8.524 -6.579 5.511 1.00 0.00 C ATOM 862 C THR A 49 7.884 -6.974 6.839 1.00 0.00 C ATOM 863 O THR A 49 7.243 -6.154 7.497 1.00 0.00 O ATOM 864 CB THR A 49 9.987 -6.163 5.760 1.00 0.00 C ATOM 865 OG1 THR A 49 10.552 -5.623 4.560 1.00 0.00 O ATOM 866 CG2 THR A 49 10.820 -7.350 6.221 1.00 0.00 C ATOM 0 H THR A 49 7.969 -4.577 5.230 1.00 0.00 H new ATOM 0 HA THR A 49 8.510 -7.433 4.833 1.00 0.00 H new ATOM 0 HB THR A 49 9.995 -5.406 6.544 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.481 -5.359 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.848 -7.029 6.390 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.407 -7.746 7.148 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.803 -8.126 5.456 1.00 0.00 H new ATOM 874 N GLU A 50 8.063 -8.234 7.225 1.00 0.00 N ATOM 875 CA GLU A 50 7.504 -8.744 8.473 1.00 0.00 C ATOM 876 C GLU A 50 7.946 -7.891 9.660 1.00 0.00 C ATOM 877 O GLU A 50 7.191 -7.693 10.612 1.00 0.00 O ATOM 878 CB GLU A 50 7.935 -10.196 8.685 1.00 0.00 C ATOM 879 CG GLU A 50 7.464 -11.134 7.585 1.00 0.00 C ATOM 880 CD GLU A 50 8.032 -12.533 7.728 1.00 0.00 C ATOM 881 OE1 GLU A 50 7.440 -13.340 8.475 1.00 0.00 O ATOM 882 OE2 GLU A 50 9.068 -12.821 7.094 1.00 0.00 O ATOM 0 H GLU A 50 8.592 -8.922 6.690 1.00 0.00 H new ATOM 0 HA GLU A 50 6.417 -8.697 8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.022 -10.239 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.547 -10.546 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.375 -11.185 7.598 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.753 -10.726 6.616 1.00 0.00 H new ATOM 889 N ARG A 51 9.175 -7.392 9.594 1.00 0.00 N ATOM 890 CA ARG A 51 9.724 -6.557 10.657 1.00 0.00 C ATOM 891 C ARG A 51 9.337 -5.093 10.463 1.00 0.00 C ATOM 892 O ARG A 51 9.115 -4.368 11.431 1.00 0.00 O ATOM 893 CB ARG A 51 11.249 -6.686 10.700 1.00 0.00 C ATOM 894 CG ARG A 51 11.738 -8.071 11.095 1.00 0.00 C ATOM 895 CD ARG A 51 11.580 -8.317 12.588 1.00 0.00 C ATOM 896 NE ARG A 51 12.023 -9.656 12.971 1.00 0.00 N ATOM 897 CZ ARG A 51 12.037 -10.100 14.226 1.00 0.00 C ATOM 898 NH1 ARG A 51 11.634 -9.317 15.217 1.00 0.00 N ATOM 899 NH2 ARG A 51 12.454 -11.331 14.489 1.00 0.00 N ATOM 0 H ARG A 51 9.812 -7.551 8.813 1.00 0.00 H new ATOM 0 HA ARG A 51 9.306 -6.902 11.602 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.653 -6.434 9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.646 -5.956 11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.181 -8.826 10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.786 -8.180 10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.154 -7.573 13.141 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.535 -8.187 12.869 1.00 0.00 H new ATOM 0 HE ARG A 51 12.340 -10.287 12.234 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.311 -8.370 15.020 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.647 -9.662 16.177 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.764 -11.938 13.730 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.465 -11.671 15.451 1.00 0.00 H new ATOM 913 N GLN A 52 9.258 -4.665 9.207 1.00 0.00 N ATOM 914 CA GLN A 52 8.910 -3.283 8.886 1.00 0.00 C ATOM 915 C GLN A 52 7.558 -2.893 9.474 1.00 0.00 C ATOM 916 O GLN A 52 7.384 -1.773 9.958 1.00 0.00 O ATOM 917 CB GLN A 52 8.884 -3.085 7.370 1.00 0.00 C ATOM 918 CG GLN A 52 8.719 -1.632 6.948 1.00 0.00 C ATOM 919 CD GLN A 52 8.804 -1.449 5.444 1.00 0.00 C ATOM 920 OE1 GLN A 52 9.492 -2.200 4.753 1.00 0.00 O ATOM 921 NE2 GLN A 52 8.102 -0.445 4.930 1.00 0.00 N ATOM 0 H GLN A 52 9.430 -5.255 8.393 1.00 0.00 H new ATOM 0 HA GLN A 52 9.672 -2.641 9.328 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.809 -3.475 6.945 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.067 -3.672 6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.757 -1.262 7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.489 -1.028 7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.545 0.153 5.540 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.120 -0.272 3.925 1.00 0.00 H new ATOM 930 N VAL A 53 6.605 -3.817 9.431 1.00 0.00 N ATOM 931 CA VAL A 53 5.266 -3.556 9.947 1.00 0.00 C ATOM 932 C VAL A 53 5.265 -3.403 11.466 1.00 0.00 C ATOM 933 O VAL A 53 4.628 -2.497 12.003 1.00 0.00 O ATOM 934 CB VAL A 53 4.282 -4.671 9.540 1.00 0.00 C ATOM 935 CG1 VAL A 53 4.212 -4.784 8.027 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.679 -6.001 10.158 1.00 0.00 C ATOM 0 H VAL A 53 6.734 -4.752 9.045 1.00 0.00 H new ATOM 0 HA VAL A 53 4.938 -2.615 9.504 1.00 0.00 H new ATOM 0 HB VAL A 53 3.293 -4.409 9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.514 -5.575 7.753 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.871 -3.838 7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.201 -5.021 7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.968 -6.770 9.855 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.678 -6.276 9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.676 -5.913 11.244 1.00 0.00 H new ATOM 946 N LYS A 54 5.979 -4.289 12.153 1.00 0.00 N ATOM 947 CA LYS A 54 6.055 -4.242 13.611 1.00 0.00 C ATOM 948 C LYS A 54 6.787 -2.989 14.074 1.00 0.00 C ATOM 949 O LYS A 54 6.304 -2.263 14.942 1.00 0.00 O ATOM 950 CB LYS A 54 6.753 -5.494 14.150 1.00 0.00 C ATOM 951 CG LYS A 54 6.015 -6.784 13.828 1.00 0.00 C ATOM 952 CD LYS A 54 6.596 -7.971 14.583 1.00 0.00 C ATOM 953 CE LYS A 54 8.017 -8.282 14.138 1.00 0.00 C ATOM 954 NZ LYS A 54 8.604 -9.413 14.909 1.00 0.00 N ATOM 0 H LYS A 54 6.512 -5.047 11.726 1.00 0.00 H new ATOM 0 HA LYS A 54 5.039 -4.211 14.004 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.759 -5.547 13.735 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.859 -5.405 15.231 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.961 -6.673 14.082 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.067 -6.974 12.756 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.588 -7.761 15.653 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.966 -8.846 14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.020 -8.526 13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.639 -7.396 14.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.313 -9.901 14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.058 -9.047 15.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.852 -10.082 15.171 1.00 0.00 H new ATOM 968 N ILE A 55 7.953 -2.741 13.487 1.00 0.00 N ATOM 969 CA ILE A 55 8.747 -1.571 13.832 1.00 0.00 C ATOM 970 C ILE A 55 7.932 -0.295 13.633 1.00 0.00 C ATOM 971 O ILE A 55 8.157 0.710 14.306 1.00 0.00 O ATOM 972 CB ILE A 55 10.041 -1.506 12.990 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.929 -2.714 13.300 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.793 -0.207 13.255 1.00 0.00 C ATOM 975 CD1 ILE A 55 12.122 -2.845 12.377 1.00 0.00 C ATOM 0 H ILE A 55 8.368 -3.336 12.770 1.00 0.00 H new ATOM 0 HA ILE A 55 9.025 -1.656 14.882 1.00 0.00 H new ATOM 0 HB ILE A 55 9.771 -1.530 11.934 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.283 -2.639 14.328 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.329 -3.621 13.235 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.701 -0.182 12.652 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.160 0.640 12.992 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.057 -0.149 14.311 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.704 -3.723 12.657 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.776 -2.952 11.349 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.745 -1.955 12.460 1.00 0.00 H new ATOM 987 N TRP A 56 6.974 -0.351 12.710 1.00 0.00 N ATOM 988 CA TRP A 56 6.116 0.793 12.425 1.00 0.00 C ATOM 989 C TRP A 56 5.276 1.151 13.648 1.00 0.00 C ATOM 990 O TRP A 56 5.266 2.300 14.090 1.00 0.00 O ATOM 991 CB TRP A 56 5.204 0.489 11.233 1.00 0.00 C ATOM 992 CG TRP A 56 4.384 1.664 10.793 1.00 0.00 C ATOM 993 CD1 TRP A 56 4.728 2.600 9.861 1.00 0.00 C ATOM 994 CD2 TRP A 56 3.081 2.029 11.267 1.00 0.00 C ATOM 995 NE1 TRP A 56 3.719 3.524 9.725 1.00 0.00 N ATOM 996 CE2 TRP A 56 2.699 3.196 10.577 1.00 0.00 C ATOM 997 CE3 TRP A 56 2.201 1.484 12.206 1.00 0.00 C ATOM 998 CZ2 TRP A 56 1.476 3.824 10.798 1.00 0.00 C ATOM 999 CZ3 TRP A 56 0.988 2.109 12.425 1.00 0.00 C ATOM 1000 CH2 TRP A 56 0.635 3.269 11.722 1.00 0.00 C ATOM 0 H TRP A 56 6.774 -1.178 12.147 1.00 0.00 H new ATOM 0 HA TRP A 56 6.750 1.644 12.177 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.814 0.148 10.397 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.537 -0.332 11.496 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.657 2.613 9.311 1.00 0.00 H new ATOM 0 HE1 TRP A 56 3.729 4.324 9.092 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.464 0.590 12.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 1.201 4.718 10.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 0.301 1.697 13.149 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -0.321 3.734 11.914 1.00 0.00 H new ATOM 1011 N PHE A 57 4.573 0.158 14.191 1.00 0.00 N ATOM 1012 CA PHE A 57 3.732 0.369 15.366 1.00 0.00 C ATOM 1013 C PHE A 57 4.569 0.803 16.564 1.00 0.00 C ATOM 1014 O PHE A 57 4.155 1.661 17.342 1.00 0.00 O ATOM 1015 CB PHE A 57 2.959 -0.906 15.710 1.00 0.00 C ATOM 1016 CG PHE A 57 1.887 -1.256 14.716 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.635 -0.667 14.791 1.00 0.00 C ATOM 1018 CD2 PHE A 57 2.130 -2.179 13.711 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.354 -0.989 13.882 1.00 0.00 C ATOM 1020 CE2 PHE A 57 1.145 -2.506 12.798 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.099 -1.911 12.884 1.00 0.00 C ATOM 0 H PHE A 57 4.570 -0.798 13.836 1.00 0.00 H new ATOM 0 HA PHE A 57 3.023 1.162 15.130 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.661 -1.737 15.780 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.504 -0.789 16.694 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.430 0.053 15.570 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.100 -2.648 13.640 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.325 -0.521 13.951 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.348 -3.226 12.019 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.871 -2.166 12.173 1.00 0.00 H new ATOM 1031 N GLN A 58 5.748 0.201 16.704 1.00 0.00 N ATOM 1032 CA GLN A 58 6.650 0.520 17.809 1.00 0.00 C ATOM 1033 C GLN A 58 6.838 2.029 17.956 1.00 0.00 C ATOM 1034 O GLN A 58 6.578 2.591 19.019 1.00 0.00 O ATOM 1035 CB GLN A 58 8.007 -0.155 17.604 1.00 0.00 C ATOM 1036 CG GLN A 58 7.963 -1.669 17.736 1.00 0.00 C ATOM 1037 CD GLN A 58 7.520 -2.124 19.112 1.00 0.00 C ATOM 1038 OE1 GLN A 58 8.340 -2.306 20.013 1.00 0.00 O ATOM 1039 NE2 GLN A 58 6.217 -2.315 19.283 1.00 0.00 N ATOM 0 H GLN A 58 6.102 -0.511 16.065 1.00 0.00 H new ATOM 0 HA GLN A 58 6.196 0.141 18.725 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.386 0.104 16.615 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.715 0.244 18.331 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.283 -2.075 16.987 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.951 -2.077 17.524 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.572 -2.152 18.510 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.861 -2.624 20.188 1.00 0.00 H new ATOM 1048 N ASN A 59 7.292 2.676 16.886 1.00 0.00 N ATOM 1049 CA ASN A 59 7.513 4.119 16.904 1.00 0.00 C ATOM 1050 C ASN A 59 6.234 4.870 17.266 1.00 0.00 C ATOM 1051 O ASN A 59 6.257 5.800 18.072 1.00 0.00 O ATOM 1052 CB ASN A 59 8.031 4.598 15.545 1.00 0.00 C ATOM 1053 CG ASN A 59 9.463 4.171 15.289 1.00 0.00 C ATOM 1054 OD1 ASN A 59 10.407 4.860 15.678 1.00 0.00 O ATOM 1055 ND2 ASN A 59 9.633 3.034 14.627 1.00 0.00 N ATOM 0 H ASN A 59 7.513 2.226 15.998 1.00 0.00 H new ATOM 0 HA ASN A 59 8.262 4.330 17.667 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.391 4.204 14.756 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.965 5.685 15.496 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.574 2.699 14.422 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.822 2.495 14.323 1.00 0.00 H new ATOM 1062 N ARG A 60 5.124 4.459 16.663 1.00 0.00 N ATOM 1063 CA ARG A 60 3.833 5.090 16.920 1.00 0.00 C ATOM 1064 C ARG A 60 3.490 5.061 18.406 1.00 0.00 C ATOM 1065 O ARG A 60 2.694 5.868 18.884 1.00 0.00 O ATOM 1066 CB ARG A 60 2.734 4.389 16.119 1.00 0.00 C ATOM 1067 CG ARG A 60 2.936 4.464 14.613 1.00 0.00 C ATOM 1068 CD ARG A 60 2.762 5.882 14.095 1.00 0.00 C ATOM 1069 NE ARG A 60 1.401 6.374 14.292 1.00 0.00 N ATOM 1070 CZ ARG A 60 0.977 7.562 13.872 1.00 0.00 C ATOM 1071 NH1 ARG A 60 1.804 8.377 13.231 1.00 0.00 N ATOM 1072 NH2 ARG A 60 -0.277 7.935 14.090 1.00 0.00 N ATOM 0 H ARG A 60 5.091 3.691 15.992 1.00 0.00 H new ATOM 0 HA ARG A 60 3.900 6.131 16.606 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.689 3.342 16.419 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.772 4.835 16.371 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.933 4.104 14.361 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.224 3.805 14.117 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.463 6.543 14.605 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.008 5.913 13.034 1.00 0.00 H new ATOM 0 HE ARG A 60 0.738 5.772 14.780 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.768 8.093 13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.476 9.288 12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.917 7.310 14.580 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.601 8.847 13.767 1.00 0.00 H new ATOM 1086 N ARG A 61 4.087 4.121 19.132 1.00 0.00 N ATOM 1087 CA ARG A 61 3.846 3.997 20.566 1.00 0.00 C ATOM 1088 C ARG A 61 4.732 4.958 21.353 1.00 0.00 C ATOM 1089 O ARG A 61 4.259 5.659 22.248 1.00 0.00 O ATOM 1090 CB ARG A 61 4.087 2.563 21.028 1.00 0.00 C ATOM 1091 CG ARG A 61 3.111 1.567 20.429 1.00 0.00 C ATOM 1092 CD ARG A 61 3.121 0.258 21.194 1.00 0.00 C ATOM 1093 NE ARG A 61 2.211 -0.725 20.612 1.00 0.00 N ATOM 1094 CZ ARG A 61 2.503 -2.015 20.486 1.00 0.00 C ATOM 1095 NH1 ARG A 61 3.674 -2.475 20.903 1.00 0.00 N ATOM 1096 NH2 ARG A 61 1.625 -2.846 19.944 1.00 0.00 N ATOM 0 H ARG A 61 4.740 3.435 18.752 1.00 0.00 H new ATOM 0 HA ARG A 61 2.804 4.256 20.755 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.103 2.269 20.764 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.016 2.522 22.115 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.106 1.989 20.439 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.370 1.383 19.386 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.133 -0.147 21.205 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.840 0.442 22.231 1.00 0.00 H new ATOM 0 HE ARG A 61 1.300 -0.403 20.284 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.352 -1.838 21.321 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.897 -3.466 20.806 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.723 -2.496 19.622 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.851 -3.836 19.848 1.00 0.00 H new ATOM 1110 N MET A 62 6.019 4.983 21.013 1.00 0.00 N ATOM 1111 CA MET A 62 6.981 5.852 21.684 1.00 0.00 C ATOM 1112 C MET A 62 6.493 7.297 21.720 1.00 0.00 C ATOM 1113 O MET A 62 6.508 7.940 22.770 1.00 0.00 O ATOM 1114 CB MET A 62 8.337 5.783 20.980 1.00 0.00 C ATOM 1115 CG MET A 62 8.780 4.366 20.655 1.00 0.00 C ATOM 1116 SD MET A 62 10.461 4.293 20.002 1.00 0.00 S ATOM 1117 CE MET A 62 11.400 4.901 21.402 1.00 0.00 C ATOM 0 H MET A 62 6.420 4.408 20.273 1.00 0.00 H new ATOM 0 HA MET A 62 7.087 5.501 22.710 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.288 6.361 20.057 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.090 6.255 21.612 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.718 3.755 21.555 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.093 3.933 19.928 1.00 0.00 H new ATOM 0 HE1 MET A 62 12.429 4.548 21.331 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.390 5.991 21.401 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.953 4.535 22.326 1.00 0.00 H new ATOM 1127 N LYS A 63 6.064 7.804 20.566 1.00 0.00 N ATOM 1128 CA LYS A 63 5.575 9.175 20.469 1.00 0.00 C ATOM 1129 C LYS A 63 4.424 9.414 21.441 1.00 0.00 C ATOM 1130 O LYS A 63 4.258 10.517 21.961 1.00 0.00 O ATOM 1131 CB LYS A 63 5.126 9.480 19.039 1.00 0.00 C ATOM 1132 CG LYS A 63 4.113 8.486 18.494 1.00 0.00 C ATOM 1133 CD LYS A 63 3.677 8.846 17.081 1.00 0.00 C ATOM 1134 CE LYS A 63 2.844 10.118 17.058 1.00 0.00 C ATOM 1135 NZ LYS A 63 2.377 10.452 15.684 1.00 0.00 N ATOM 0 H LYS A 63 6.046 7.286 19.687 1.00 0.00 H new ATOM 0 HA LYS A 63 6.393 9.845 20.734 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.694 10.480 19.008 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.000 9.490 18.387 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.546 7.486 18.498 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.242 8.459 19.148 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.557 8.975 16.450 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.099 8.024 16.658 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.983 10.000 17.715 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.434 10.945 17.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.946 11.398 15.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.186 10.440 15.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.673 9.751 15.377 1.00 0.00 H new ATOM 1149 N MET A 64 3.630 8.375 21.680 1.00 0.00 N ATOM 1150 CA MET A 64 2.501 8.471 22.599 1.00 0.00 C ATOM 1151 C MET A 64 2.970 8.331 24.042 1.00 0.00 C ATOM 1152 O MET A 64 2.317 8.813 24.969 1.00 0.00 O ATOM 1153 CB MET A 64 1.460 7.395 22.281 1.00 0.00 C ATOM 1154 CG MET A 64 0.814 7.556 20.914 1.00 0.00 C ATOM 1155 SD MET A 64 -0.455 6.318 20.596 1.00 0.00 S ATOM 1156 CE MET A 64 -0.985 6.788 18.951 1.00 0.00 C ATOM 0 H MET A 64 3.747 7.457 21.250 1.00 0.00 H new ATOM 0 HA MET A 64 2.043 9.452 22.474 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.934 6.415 22.336 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.683 7.416 23.045 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.373 8.550 20.840 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.582 7.490 20.143 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.771 6.112 18.615 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.368 7.808 18.970 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.139 6.730 18.266 1.00 0.00 H new ATOM 1166 N LYS A 65 4.108 7.669 24.224 1.00 0.00 N ATOM 1167 CA LYS A 65 4.673 7.465 25.551 1.00 0.00 C ATOM 1168 C LYS A 65 5.358 8.736 26.044 1.00 0.00 C ATOM 1169 O LYS A 65 5.717 8.846 27.217 1.00 0.00 O ATOM 1170 CB LYS A 65 5.665 6.300 25.534 1.00 0.00 C ATOM 1171 CG LYS A 65 5.016 4.951 25.265 1.00 0.00 C ATOM 1172 CD LYS A 65 4.067 4.550 26.384 1.00 0.00 C ATOM 1173 CE LYS A 65 3.383 3.224 26.092 1.00 0.00 C ATOM 1174 NZ LYS A 65 2.594 3.272 24.830 1.00 0.00 N ATOM 0 H LYS A 65 4.658 7.264 23.466 1.00 0.00 H new ATOM 0 HA LYS A 65 3.861 7.223 26.237 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.421 6.489 24.772 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.182 6.260 26.493 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.471 4.991 24.322 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.789 4.191 25.154 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.619 4.476 27.321 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.314 5.326 26.518 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.133 2.436 26.021 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.725 2.964 26.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.961 2.448 24.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.029 4.145 24.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.241 3.257 24.016 1.00 0.00 H new ATOM 1188 N LYS A 66 5.538 9.691 25.136 1.00 0.00 N ATOM 1189 CA LYS A 66 6.174 10.961 25.473 1.00 0.00 C ATOM 1190 C LYS A 66 5.195 12.117 25.297 1.00 0.00 C ATOM 1191 O LYS A 66 5.519 13.266 25.602 1.00 0.00 O ATOM 1192 CB LYS A 66 7.412 11.189 24.600 1.00 0.00 C ATOM 1193 CG LYS A 66 8.548 10.215 24.879 1.00 0.00 C ATOM 1194 CD LYS A 66 9.073 10.351 26.302 1.00 0.00 C ATOM 1195 CE LYS A 66 9.727 11.705 26.534 1.00 0.00 C ATOM 1196 NZ LYS A 66 10.923 11.900 25.668 1.00 0.00 N ATOM 0 H LYS A 66 5.252 9.609 24.160 1.00 0.00 H new ATOM 0 HA LYS A 66 6.481 10.919 26.518 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.126 11.108 23.551 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.772 12.206 24.754 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.200 9.195 24.716 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.360 10.392 24.174 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.252 10.218 27.007 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.795 9.559 26.501 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.003 12.496 26.337 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.018 11.793 27.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 11.473 12.713 26.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 11.514 11.045 25.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 10.618 12.079 24.690 1.00 0.00 H new ATOM 1210 N MET A 67 3.999 11.801 24.806 1.00 0.00 N ATOM 1211 CA MET A 67 2.960 12.804 24.582 1.00 0.00 C ATOM 1212 C MET A 67 3.418 13.849 23.566 1.00 0.00 C ATOM 1213 O MET A 67 3.109 13.748 22.378 1.00 0.00 O ATOM 1214 CB MET A 67 2.572 13.480 25.902 1.00 0.00 C ATOM 1215 CG MET A 67 1.451 14.496 25.758 1.00 0.00 C ATOM 1216 SD MET A 67 1.000 15.262 27.327 1.00 0.00 S ATOM 1217 CE MET A 67 0.463 13.836 28.268 1.00 0.00 C ATOM 0 H MET A 67 3.724 10.852 24.554 1.00 0.00 H new ATOM 0 HA MET A 67 2.084 12.297 24.178 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.268 12.715 26.617 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.449 13.975 26.318 1.00 0.00 H new ATOM 0 HG2 MET A 67 1.757 15.271 25.055 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.575 14.007 25.332 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.134 14.165 29.119 1.00 0.00 H new ATOM 0 HE2 MET A 67 -0.138 13.186 27.632 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.334 13.288 28.627 1.00 0.00 H new ATOM 1227 N ASN A 68 4.154 14.850 24.039 1.00 0.00 N ATOM 1228 CA ASN A 68 4.656 15.908 23.169 1.00 0.00 C ATOM 1229 C ASN A 68 6.016 15.530 22.589 1.00 0.00 C ATOM 1230 O ASN A 68 7.036 15.771 23.269 1.00 0.00 O ATOM 1231 CB ASN A 68 4.766 17.226 23.940 1.00 0.00 C ATOM 1232 CG ASN A 68 5.244 18.374 23.068 1.00 0.00 C ATOM 1233 OD1 ASN A 68 5.937 19.277 23.537 1.00 0.00 O ATOM 1234 ND2 ASN A 68 4.871 18.348 21.794 1.00 0.00 N ATOM 1235 OXT ASN A 68 6.049 14.994 21.462 1.00 0.00 O ATOM 0 H ASN A 68 4.416 14.951 25.020 1.00 0.00 H new ATOM 0 HA ASN A 68 3.950 16.036 22.348 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.794 17.477 24.364 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.454 17.098 24.775 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.159 19.096 21.163 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.296 17.580 21.446 1.00 0.00 H new TER 1242 ASN A 68