USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 639 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 40 LYS NZ :NH3+ -171:sc= 1.77 (180deg=1.05) USER MOD Set 1.2: A 41 ASN : amide:sc= 0.337 X(o=2,f=1.6) USER MOD Set 1.3: A 67 THR OG1 : rot 149:sc= 0.764 USER MOD Set 1.4: A 68 HIS : no HD1:sc= -0.923 X(o=2,f=1.6) USER MOD Set 2.1: A 48 CYS SG : rot 79:sc= 0.516 USER MOD Set 2.2: A 54 SER OG : rot 71:sc= 0.947 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.044) USER MOD Single : A 15 GLN : amide:sc= 1.02 K(o=1,f=-0.00088) USER MOD Single : A 17 HIS : no HE2:sc= -0.071 X(o=-0.071,f=-0.56) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.247 K(o=-0.25,f=-3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 1.33 (180deg=1.16) USER MOD Single : A 47 TYR OH : rot 60:sc= 0.372 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.674 X(o=-0.67,f=-0.58) USER MOD Single : A 56 GLN : amide:sc= 0.953 K(o=0.95,f=-5.5!) USER MOD Single : A 58 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.1) USER MOD Single : A 62 SER OG : rot 85:sc= 1.29 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.958 K(o=0.96,f=0.026) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 1.92 (180deg=1.87) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 1.806 0.415 -3.624 1.00 0.00 N ATOM 14 CA GLU A 2 0.909 0.862 -4.679 1.00 0.00 C ATOM 15 C GLU A 2 -0.236 1.655 -4.045 1.00 0.00 C ATOM 16 O GLU A 2 -0.661 1.341 -2.928 1.00 0.00 O ATOM 17 CB GLU A 2 0.388 -0.385 -5.421 1.00 0.00 C ATOM 18 CG GLU A 2 -0.596 -0.098 -6.566 1.00 0.00 C ATOM 19 CD GLU A 2 -1.047 -1.409 -7.235 1.00 0.00 C ATOM 20 OE1 GLU A 2 -0.325 -1.918 -8.122 1.00 0.00 O ATOM 21 OE2 GLU A 2 -2.124 -1.935 -6.871 1.00 0.00 O ATOM 0 HA GLU A 2 1.418 1.510 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.241 -0.932 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.099 -1.041 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.464 0.437 -6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.124 0.550 -7.305 1.00 0.00 H new ATOM 28 N HIS A 3 -0.768 2.630 -4.784 1.00 0.00 N ATOM 29 CA HIS A 3 -1.997 3.347 -4.473 1.00 0.00 C ATOM 30 C HIS A 3 -2.839 3.436 -5.749 1.00 0.00 C ATOM 31 O HIS A 3 -2.307 3.360 -6.862 1.00 0.00 O ATOM 32 CB HIS A 3 -1.687 4.747 -3.913 1.00 0.00 C ATOM 33 CG HIS A 3 -1.113 4.733 -2.516 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.761 4.326 -1.368 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.140 5.144 -2.144 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.915 4.478 -0.336 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.263 4.977 -0.756 1.00 0.00 N ATOM 0 H HIS A 3 -0.334 2.951 -5.649 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.555 2.812 -3.704 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.984 5.247 -4.579 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.602 5.339 -3.913 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.902 5.530 -2.805 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.148 4.234 0.690 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.079 5.190 -0.182 1.00 0.00 H new ATOM 45 N TRP A 4 -4.148 3.619 -5.571 1.00 0.00 N ATOM 46 CA TRP A 4 -5.129 3.752 -6.638 1.00 0.00 C ATOM 47 C TRP A 4 -5.755 5.127 -6.477 1.00 0.00 C ATOM 48 O TRP A 4 -6.330 5.426 -5.428 1.00 0.00 O ATOM 49 CB TRP A 4 -6.191 2.645 -6.545 1.00 0.00 C ATOM 50 CG TRP A 4 -5.746 1.290 -7.009 1.00 0.00 C ATOM 51 CD1 TRP A 4 -4.807 0.519 -6.415 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.176 0.542 -8.190 1.00 0.00 C ATOM 53 NE1 TRP A 4 -4.609 -0.629 -7.148 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.432 -0.675 -8.253 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.105 0.778 -9.228 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -5.590 -1.600 -9.296 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.279 -0.149 -10.273 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.522 -1.334 -10.312 1.00 0.00 C ATOM 0 H TRP A 4 -4.565 3.680 -4.642 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.662 3.650 -7.618 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.520 2.566 -5.509 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.058 2.946 -7.133 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.289 0.767 -5.500 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -3.936 -1.356 -6.904 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.691 1.685 -9.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.002 -2.506 -9.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.000 0.051 -11.052 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.657 -2.037 -11.121 1.00 0.00 H new ATOM 69 N ILE A 5 -5.622 5.964 -7.501 1.00 0.00 N ATOM 70 CA ILE A 5 -6.009 7.364 -7.464 1.00 0.00 C ATOM 71 C ILE A 5 -6.835 7.582 -8.728 1.00 0.00 C ATOM 72 O ILE A 5 -6.303 7.525 -9.837 1.00 0.00 O ATOM 73 CB ILE A 5 -4.753 8.273 -7.387 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.902 7.992 -6.122 1.00 0.00 C ATOM 75 CG2 ILE A 5 -5.152 9.759 -7.428 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.567 8.735 -6.095 1.00 0.00 C ATOM 0 H ILE A 5 -5.233 5.678 -8.399 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.595 7.622 -6.582 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.141 8.039 -8.258 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.479 8.269 -5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.712 6.921 -6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.256 10.378 -7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.681 9.968 -8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.802 9.985 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.031 8.486 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.969 8.440 -6.957 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.748 9.809 -6.129 1.00 0.00 H new ATOM 88 N ASP A 6 -8.143 7.779 -8.580 1.00 0.00 N ATOM 89 CA ASP A 6 -8.959 8.241 -9.692 1.00 0.00 C ATOM 90 C ASP A 6 -8.518 9.673 -10.025 1.00 0.00 C ATOM 91 O ASP A 6 -8.195 10.436 -9.111 1.00 0.00 O ATOM 92 CB ASP A 6 -10.435 8.207 -9.303 1.00 0.00 C ATOM 93 CG ASP A 6 -11.298 8.741 -10.437 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.395 9.979 -10.552 1.00 0.00 O ATOM 95 OD2 ASP A 6 -11.901 7.940 -11.184 1.00 0.00 O ATOM 0 H ASP A 6 -8.653 7.627 -7.710 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.830 7.598 -10.562 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.730 7.186 -9.063 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.594 8.804 -8.405 1.00 0.00 H new ATOM 100 N VAL A 7 -8.518 10.070 -11.296 1.00 0.00 N ATOM 101 CA VAL A 7 -8.062 11.399 -11.709 1.00 0.00 C ATOM 102 C VAL A 7 -9.110 12.154 -12.539 1.00 0.00 C ATOM 103 O VAL A 7 -8.802 13.192 -13.130 1.00 0.00 O ATOM 104 CB VAL A 7 -6.671 11.306 -12.375 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.588 10.738 -11.441 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.682 10.436 -13.636 1.00 0.00 C ATOM 0 H VAL A 7 -8.833 9.482 -12.068 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.941 12.014 -10.817 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.431 12.339 -12.628 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.636 10.699 -11.970 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.491 11.379 -10.565 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.870 9.733 -11.126 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.680 10.404 -14.065 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.999 9.425 -13.378 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.375 10.859 -14.364 1.00 0.00 H new ATOM 116 N ARG A 8 -10.354 11.666 -12.596 1.00 0.00 N ATOM 117 CA ARG A 8 -11.450 12.387 -13.244 1.00 0.00 C ATOM 118 C ARG A 8 -11.800 13.637 -12.434 1.00 0.00 C ATOM 119 O ARG A 8 -11.399 13.760 -11.272 1.00 0.00 O ATOM 120 CB ARG A 8 -12.616 11.424 -13.514 1.00 0.00 C ATOM 121 CG ARG A 8 -13.729 11.405 -12.473 1.00 0.00 C ATOM 122 CD ARG A 8 -14.695 10.262 -12.794 1.00 0.00 C ATOM 123 NE ARG A 8 -14.281 9.037 -12.110 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.065 8.207 -11.424 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.373 8.394 -11.302 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.502 7.179 -10.821 1.00 0.00 N ATOM 0 H ARG A 8 -10.626 10.767 -12.197 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.156 12.760 -14.225 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.054 11.679 -14.479 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.213 10.415 -13.603 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.309 11.274 -11.476 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.260 12.357 -12.472 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.705 10.534 -12.487 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.724 10.093 -13.870 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.292 8.794 -12.164 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.816 9.200 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.935 7.732 -10.767 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.494 7.038 -10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.074 6.525 -10.287 1.00 0.00 H new ATOM 140 N VAL A 9 -12.536 14.564 -13.057 1.00 0.00 N ATOM 141 CA VAL A 9 -12.936 15.812 -12.411 1.00 0.00 C ATOM 142 C VAL A 9 -13.706 15.480 -11.114 1.00 0.00 C ATOM 143 O VAL A 9 -14.410 14.465 -11.079 1.00 0.00 O ATOM 144 CB VAL A 9 -13.680 16.741 -13.398 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.751 17.148 -14.553 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.963 16.137 -13.979 1.00 0.00 C ATOM 0 H VAL A 9 -12.868 14.468 -14.017 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.062 16.392 -12.113 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.976 17.611 -12.812 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.289 17.802 -15.239 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.884 17.675 -14.154 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.420 16.256 -15.085 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.425 16.851 -14.661 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.722 15.222 -14.520 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.656 15.908 -13.170 1.00 0.00 H new ATOM 156 N PRO A 10 -13.628 16.298 -10.048 1.00 0.00 N ATOM 157 CA PRO A 10 -14.092 15.885 -8.723 1.00 0.00 C ATOM 158 C PRO A 10 -15.586 15.552 -8.676 1.00 0.00 C ATOM 159 O PRO A 10 -15.983 14.561 -8.062 1.00 0.00 O ATOM 160 CB PRO A 10 -13.706 17.021 -7.772 1.00 0.00 C ATOM 161 CG PRO A 10 -13.527 18.239 -8.680 1.00 0.00 C ATOM 162 CD PRO A 10 -13.084 17.649 -10.016 1.00 0.00 C ATOM 0 HA PRO A 10 -13.620 14.948 -8.428 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.481 17.194 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.788 16.791 -7.231 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.456 18.800 -8.781 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.781 18.927 -8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.459 18.242 -10.850 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.997 17.636 -10.097 1.00 0.00 H new ATOM 170 N GLU A 11 -16.423 16.322 -9.374 1.00 0.00 N ATOM 171 CA GLU A 11 -17.861 16.070 -9.407 1.00 0.00 C ATOM 172 C GLU A 11 -18.200 14.783 -10.159 1.00 0.00 C ATOM 173 O GLU A 11 -19.234 14.178 -9.877 1.00 0.00 O ATOM 174 CB GLU A 11 -18.583 17.242 -10.075 1.00 0.00 C ATOM 175 CG GLU A 11 -18.668 18.465 -9.152 1.00 0.00 C ATOM 176 CD GLU A 11 -19.426 19.626 -9.821 1.00 0.00 C ATOM 177 OE1 GLU A 11 -20.666 19.717 -9.673 1.00 0.00 O ATOM 178 OE2 GLU A 11 -18.789 20.474 -10.487 1.00 0.00 O ATOM 0 H GLU A 11 -16.126 17.127 -9.925 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.193 15.960 -8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.060 17.515 -10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.588 16.933 -10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.170 18.188 -8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.663 18.791 -8.885 1.00 0.00 H new ATOM 185 N GLN A 12 -17.353 14.345 -11.097 1.00 0.00 N ATOM 186 CA GLN A 12 -17.553 13.087 -11.797 1.00 0.00 C ATOM 187 C GLN A 12 -17.030 11.963 -10.909 1.00 0.00 C ATOM 188 O GLN A 12 -17.619 10.883 -10.904 1.00 0.00 O ATOM 189 CB GLN A 12 -16.880 13.122 -13.189 1.00 0.00 C ATOM 190 CG GLN A 12 -17.682 13.966 -14.194 1.00 0.00 C ATOM 191 CD GLN A 12 -19.050 13.355 -14.516 1.00 0.00 C ATOM 192 OE1 GLN A 12 -19.148 12.265 -15.073 1.00 0.00 O ATOM 193 NE2 GLN A 12 -20.135 14.027 -14.163 1.00 0.00 N ATOM 0 H GLN A 12 -16.517 14.854 -11.385 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.612 12.912 -11.987 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.873 13.529 -13.095 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.778 12.105 -13.569 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.822 14.969 -13.791 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.109 14.070 -15.115 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -20.047 14.932 -13.701 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -21.059 13.640 -14.353 1.00 0.00 H new ATOM 202 N TYR A 13 -15.959 12.193 -10.141 1.00 0.00 N ATOM 203 CA TYR A 13 -15.427 11.210 -9.206 1.00 0.00 C ATOM 204 C TYR A 13 -16.489 10.810 -8.185 1.00 0.00 C ATOM 205 O TYR A 13 -16.689 9.617 -7.945 1.00 0.00 O ATOM 206 CB TYR A 13 -14.149 11.726 -8.529 1.00 0.00 C ATOM 207 CG TYR A 13 -14.038 11.425 -7.042 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.782 10.113 -6.601 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.200 12.459 -6.098 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.646 9.847 -5.229 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.089 12.192 -4.723 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.806 10.881 -4.280 1.00 0.00 C ATOM 213 OH TYR A 13 -13.660 10.606 -2.954 1.00 0.00 O ATOM 0 H TYR A 13 -15.439 13.071 -10.155 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.154 10.315 -9.765 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.287 11.292 -9.037 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.092 12.805 -8.670 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.690 9.311 -7.318 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.411 13.464 -6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.418 8.845 -4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.220 12.988 -4.005 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.800 11.424 -2.433 1.00 0.00 H new ATOM 223 N GLN A 14 -17.199 11.804 -7.635 1.00 0.00 N ATOM 224 CA GLN A 14 -18.209 11.601 -6.604 1.00 0.00 C ATOM 225 C GLN A 14 -19.246 10.543 -6.991 1.00 0.00 C ATOM 226 O GLN A 14 -19.796 9.884 -6.106 1.00 0.00 O ATOM 227 CB GLN A 14 -18.906 12.940 -6.289 1.00 0.00 C ATOM 228 CG GLN A 14 -18.157 13.799 -5.254 1.00 0.00 C ATOM 229 CD GLN A 14 -18.025 13.103 -3.894 1.00 0.00 C ATOM 230 OE1 GLN A 14 -16.940 13.010 -3.329 1.00 0.00 O ATOM 231 NE2 GLN A 14 -19.106 12.565 -3.351 1.00 0.00 N ATOM 0 H GLN A 14 -17.082 12.782 -7.901 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.697 11.229 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.013 13.510 -7.212 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.912 12.738 -5.921 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.163 14.036 -5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -18.682 14.745 -5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -20.007 12.644 -3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -19.038 12.072 -2.461 1.00 0.00 H new ATOM 240 N GLN A 15 -19.508 10.377 -8.291 1.00 0.00 N ATOM 241 CA GLN A 15 -20.590 9.545 -8.784 1.00 0.00 C ATOM 242 C GLN A 15 -20.360 8.049 -8.513 1.00 0.00 C ATOM 243 O GLN A 15 -21.356 7.333 -8.425 1.00 0.00 O ATOM 244 CB GLN A 15 -20.841 9.844 -10.276 1.00 0.00 C ATOM 245 CG GLN A 15 -21.027 11.345 -10.602 1.00 0.00 C ATOM 246 CD GLN A 15 -22.121 12.028 -9.776 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.223 11.511 -9.604 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.838 13.203 -9.239 1.00 0.00 N ATOM 0 H GLN A 15 -18.966 10.824 -9.030 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.492 9.798 -8.228 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.003 9.459 -10.858 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.729 9.301 -10.599 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.083 11.863 -10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.265 11.450 -11.660 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.921 13.624 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.537 13.688 -8.676 1.00 0.00 H new ATOM 257 N GLU A 16 -19.103 7.609 -8.333 1.00 0.00 N ATOM 258 CA GLU A 16 -18.616 6.305 -7.841 1.00 0.00 C ATOM 259 C GLU A 16 -17.199 6.045 -8.340 1.00 0.00 C ATOM 260 O GLU A 16 -16.849 6.446 -9.448 1.00 0.00 O ATOM 261 CB GLU A 16 -19.521 5.083 -8.102 1.00 0.00 C ATOM 262 CG GLU A 16 -19.807 4.736 -9.571 1.00 0.00 C ATOM 263 CD GLU A 16 -20.916 3.672 -9.694 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.984 3.813 -9.052 1.00 0.00 O ATOM 265 OE2 GLU A 16 -20.735 2.693 -10.453 1.00 0.00 O ATOM 0 H GLU A 16 -18.318 8.223 -8.552 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.633 6.409 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.063 4.214 -7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.474 5.252 -7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.104 5.637 -10.108 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.896 4.370 -10.044 1.00 0.00 H new ATOM 272 N HIS A 17 -16.380 5.351 -7.551 1.00 0.00 N ATOM 273 CA HIS A 17 -14.991 5.028 -7.868 1.00 0.00 C ATOM 274 C HIS A 17 -14.605 3.722 -7.165 1.00 0.00 C ATOM 275 O HIS A 17 -15.378 3.231 -6.342 1.00 0.00 O ATOM 276 CB HIS A 17 -14.088 6.204 -7.462 1.00 0.00 C ATOM 277 CG HIS A 17 -13.732 6.258 -5.995 1.00 0.00 C ATOM 278 ND1 HIS A 17 -14.577 6.069 -4.919 1.00 0.00 N ATOM 279 CD2 HIS A 17 -12.479 6.485 -5.492 1.00 0.00 C ATOM 280 CE1 HIS A 17 -13.841 6.179 -3.799 1.00 0.00 C ATOM 281 NE2 HIS A 17 -12.555 6.442 -4.095 1.00 0.00 N ATOM 0 H HIS A 17 -16.675 4.987 -6.645 1.00 0.00 H new ATOM 0 HA HIS A 17 -14.864 4.875 -8.940 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.167 6.153 -8.042 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.585 7.135 -7.735 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -15.578 5.880 -4.966 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.586 6.666 -6.073 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.230 6.071 -2.797 1.00 0.00 H new ATOM 289 N VAL A 18 -13.450 3.143 -7.496 1.00 0.00 N ATOM 290 CA VAL A 18 -13.030 1.832 -7.006 1.00 0.00 C ATOM 291 C VAL A 18 -12.959 1.841 -5.472 1.00 0.00 C ATOM 292 O VAL A 18 -12.456 2.786 -4.858 1.00 0.00 O ATOM 293 CB VAL A 18 -11.699 1.417 -7.673 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.166 0.080 -7.145 1.00 0.00 C ATOM 295 CG2 VAL A 18 -11.869 1.283 -9.197 1.00 0.00 C ATOM 0 H VAL A 18 -12.771 3.579 -8.121 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.767 1.078 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.987 2.205 -7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.230 -0.163 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.992 0.156 -6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.896 -0.705 -7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.919 0.990 -9.645 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.621 0.525 -9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.187 2.239 -9.613 1.00 0.00 H new ATOM 305 N GLN A 19 -13.460 0.768 -4.856 1.00 0.00 N ATOM 306 CA GLN A 19 -13.455 0.577 -3.414 1.00 0.00 C ATOM 307 C GLN A 19 -12.020 0.697 -2.878 1.00 0.00 C ATOM 308 O GLN A 19 -11.117 0.002 -3.347 1.00 0.00 O ATOM 309 CB GLN A 19 -14.101 -0.783 -3.103 1.00 0.00 C ATOM 310 CG GLN A 19 -14.282 -1.039 -1.600 1.00 0.00 C ATOM 311 CD GLN A 19 -15.014 -2.360 -1.355 1.00 0.00 C ATOM 312 OE1 GLN A 19 -14.399 -3.413 -1.208 1.00 0.00 O ATOM 313 NE2 GLN A 19 -16.338 -2.345 -1.319 1.00 0.00 N ATOM 0 H GLN A 19 -13.889 -0.007 -5.362 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.038 1.348 -2.911 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.073 -0.837 -3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.485 -1.576 -3.528 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.308 -1.062 -1.111 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.844 -0.219 -1.152 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.842 -1.467 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.854 -3.212 -1.168 1.00 0.00 H new ATOM 322 N GLY A 20 -11.818 1.577 -1.891 1.00 0.00 N ATOM 323 CA GLY A 20 -10.544 1.748 -1.196 1.00 0.00 C ATOM 324 C GLY A 20 -9.558 2.682 -1.910 1.00 0.00 C ATOM 325 O GLY A 20 -8.462 2.901 -1.389 1.00 0.00 O ATOM 0 H GLY A 20 -12.550 2.200 -1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.738 2.138 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.077 0.771 -1.072 1.00 0.00 H new ATOM 329 N ALA A 21 -9.910 3.229 -3.079 1.00 0.00 N ATOM 330 CA ALA A 21 -9.102 4.224 -3.779 1.00 0.00 C ATOM 331 C ALA A 21 -9.258 5.617 -3.134 1.00 0.00 C ATOM 332 O ALA A 21 -9.907 5.780 -2.095 1.00 0.00 O ATOM 333 CB ALA A 21 -9.513 4.227 -5.257 1.00 0.00 C ATOM 0 H ALA A 21 -10.773 2.989 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.045 3.968 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.920 4.965 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.341 3.239 -5.684 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.570 4.479 -5.340 1.00 0.00 H new ATOM 339 N ILE A 22 -8.666 6.625 -3.772 1.00 0.00 N ATOM 340 CA ILE A 22 -8.831 8.054 -3.498 1.00 0.00 C ATOM 341 C ILE A 22 -9.061 8.731 -4.864 1.00 0.00 C ATOM 342 O ILE A 22 -9.021 8.055 -5.896 1.00 0.00 O ATOM 343 CB ILE A 22 -7.599 8.559 -2.696 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.779 9.968 -2.093 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.313 8.524 -3.534 1.00 0.00 C ATOM 346 CD1 ILE A 22 -6.619 10.389 -1.180 1.00 0.00 C ATOM 0 H ILE A 22 -8.018 6.457 -4.542 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.687 8.294 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.510 7.859 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.877 10.692 -2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.709 9.997 -1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.478 8.885 -2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.115 7.501 -3.853 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.432 9.161 -4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.808 11.389 -0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.534 9.686 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.690 10.392 -1.750 1.00 0.00 H new ATOM 358 N ASN A 23 -9.274 10.048 -4.910 1.00 0.00 N ATOM 359 CA ASN A 23 -9.328 10.815 -6.152 1.00 0.00 C ATOM 360 C ASN A 23 -8.496 12.078 -6.001 1.00 0.00 C ATOM 361 O ASN A 23 -8.577 12.758 -4.977 1.00 0.00 O ATOM 362 CB ASN A 23 -10.775 11.159 -6.517 1.00 0.00 C ATOM 363 CG ASN A 23 -10.925 12.327 -7.498 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.218 13.437 -7.074 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.764 12.136 -8.799 1.00 0.00 N ATOM 0 H ASN A 23 -9.415 10.616 -4.075 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.918 10.211 -6.961 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.247 10.276 -6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.320 11.397 -5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.884 12.914 -9.447 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.520 11.211 -9.152 1.00 0.00 H new ATOM 372 N ILE A 24 -7.717 12.384 -7.035 1.00 0.00 N ATOM 373 CA ILE A 24 -6.965 13.617 -7.194 1.00 0.00 C ATOM 374 C ILE A 24 -7.187 13.979 -8.666 1.00 0.00 C ATOM 375 O ILE A 24 -6.521 13.403 -9.524 1.00 0.00 O ATOM 376 CB ILE A 24 -5.473 13.449 -6.817 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.331 13.078 -5.323 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.720 14.755 -7.131 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.892 12.886 -4.840 1.00 0.00 C ATOM 0 H ILE A 24 -7.590 11.746 -7.820 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.297 14.411 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.040 12.639 -7.404 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.799 13.859 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.887 12.159 -5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.669 14.641 -6.867 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.805 14.977 -8.195 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.153 15.572 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.895 12.628 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.422 12.083 -5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.333 13.810 -4.987 1.00 0.00 H new ATOM 391 N PRO A 25 -8.160 14.849 -8.982 1.00 0.00 N ATOM 392 CA PRO A 25 -8.475 15.235 -10.351 1.00 0.00 C ATOM 393 C PRO A 25 -7.240 15.712 -11.107 1.00 0.00 C ATOM 394 O PRO A 25 -6.354 16.302 -10.494 1.00 0.00 O ATOM 395 CB PRO A 25 -9.492 16.371 -10.227 1.00 0.00 C ATOM 396 CG PRO A 25 -10.156 16.120 -8.876 1.00 0.00 C ATOM 397 CD PRO A 25 -9.017 15.551 -8.044 1.00 0.00 C ATOM 0 HA PRO A 25 -8.863 14.386 -10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.007 17.347 -10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.218 16.348 -11.040 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.554 17.038 -8.444 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.987 15.420 -8.957 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.471 16.344 -7.533 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.393 14.876 -7.275 1.00 0.00 H new ATOM 405 N LEU A 26 -7.208 15.568 -12.434 1.00 0.00 N ATOM 406 CA LEU A 26 -6.099 16.031 -13.279 1.00 0.00 C ATOM 407 C LEU A 26 -5.674 17.478 -12.967 1.00 0.00 C ATOM 408 O LEU A 26 -4.479 17.766 -12.913 1.00 0.00 O ATOM 409 CB LEU A 26 -6.505 15.868 -14.755 1.00 0.00 C ATOM 410 CG LEU A 26 -5.475 16.403 -15.772 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.166 15.610 -15.720 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.062 16.317 -17.184 1.00 0.00 C ATOM 0 H LEU A 26 -7.959 15.122 -12.960 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.223 15.419 -13.065 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.677 14.810 -14.955 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.453 16.381 -14.915 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.255 17.439 -15.514 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.466 16.016 -16.450 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.734 15.685 -14.722 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.365 14.564 -15.951 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.336 16.695 -17.904 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.298 15.279 -17.417 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.971 16.916 -17.237 1.00 0.00 H new ATOM 424 N LYS A 27 -6.634 18.377 -12.716 1.00 0.00 N ATOM 425 CA LYS A 27 -6.354 19.771 -12.348 1.00 0.00 C ATOM 426 C LYS A 27 -5.585 19.871 -11.026 1.00 0.00 C ATOM 427 O LYS A 27 -4.760 20.767 -10.855 1.00 0.00 O ATOM 428 CB LYS A 27 -7.670 20.560 -12.226 1.00 0.00 C ATOM 429 CG LYS A 27 -8.442 20.649 -13.553 1.00 0.00 C ATOM 430 CD LYS A 27 -9.729 21.472 -13.384 1.00 0.00 C ATOM 431 CE LYS A 27 -10.565 21.538 -14.673 1.00 0.00 C ATOM 432 NZ LYS A 27 -9.918 22.333 -15.749 1.00 0.00 N ATOM 0 H LYS A 27 -7.629 18.158 -12.762 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.733 20.195 -13.137 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.303 20.087 -11.475 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.452 21.567 -11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.811 21.106 -14.316 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.690 19.647 -13.902 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.332 21.037 -12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.470 22.484 -13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.743 20.526 -15.035 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.539 21.971 -14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.529 22.340 -16.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.771 23.308 -15.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.000 21.908 -15.991 1.00 0.00 H new ATOM 446 N GLU A 28 -5.870 18.969 -10.089 1.00 0.00 N ATOM 447 CA GLU A 28 -5.337 18.956 -8.736 1.00 0.00 C ATOM 448 C GLU A 28 -4.013 18.186 -8.670 1.00 0.00 C ATOM 449 O GLU A 28 -3.203 18.491 -7.798 1.00 0.00 O ATOM 450 CB GLU A 28 -6.375 18.312 -7.798 1.00 0.00 C ATOM 451 CG GLU A 28 -7.682 19.121 -7.663 1.00 0.00 C ATOM 452 CD GLU A 28 -7.453 20.431 -6.892 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.016 20.362 -5.719 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.720 21.524 -7.441 1.00 0.00 O ATOM 0 H GLU A 28 -6.509 18.193 -10.264 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.138 19.981 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.613 17.314 -8.166 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.931 18.190 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.077 19.344 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.432 18.520 -7.148 1.00 0.00 H new ATOM 461 N VAL A 29 -3.756 17.230 -9.580 1.00 0.00 N ATOM 462 CA VAL A 29 -2.536 16.408 -9.601 1.00 0.00 C ATOM 463 C VAL A 29 -1.298 17.289 -9.420 1.00 0.00 C ATOM 464 O VAL A 29 -0.486 17.010 -8.539 1.00 0.00 O ATOM 465 CB VAL A 29 -2.487 15.546 -10.891 1.00 0.00 C ATOM 466 CG1 VAL A 29 -1.124 14.895 -11.176 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.500 14.393 -10.831 1.00 0.00 C ATOM 0 H VAL A 29 -4.403 17.004 -10.335 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.550 15.712 -8.762 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.713 16.261 -11.682 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.184 14.313 -12.096 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.366 15.671 -11.286 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.854 14.239 -10.348 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.441 13.808 -11.749 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.273 13.753 -9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.506 14.798 -10.723 1.00 0.00 H new ATOM 477 N LYS A 30 -1.205 18.396 -10.165 1.00 0.00 N ATOM 478 CA LYS A 30 -0.051 19.298 -10.165 1.00 0.00 C ATOM 479 C LYS A 30 0.305 19.856 -8.782 1.00 0.00 C ATOM 480 O LYS A 30 1.439 20.298 -8.599 1.00 0.00 O ATOM 481 CB LYS A 30 -0.303 20.458 -11.145 1.00 0.00 C ATOM 482 CG LYS A 30 -0.437 19.985 -12.601 1.00 0.00 C ATOM 483 CD LYS A 30 -0.665 21.169 -13.550 1.00 0.00 C ATOM 484 CE LYS A 30 -0.796 20.668 -14.996 1.00 0.00 C ATOM 485 NZ LYS A 30 -1.016 21.779 -15.956 1.00 0.00 N ATOM 0 H LYS A 30 -1.947 18.695 -10.798 1.00 0.00 H new ATOM 0 HA LYS A 30 0.805 18.701 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.212 20.984 -10.853 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.516 21.173 -11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.464 19.447 -12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.268 19.284 -12.684 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.567 21.709 -13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.165 21.871 -13.474 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.107 20.124 -15.273 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.626 19.964 -15.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.099 21.395 -16.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.891 22.284 -15.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.213 22.438 -15.914 1.00 0.00 H new ATOM 499 N GLU A 31 -0.622 19.854 -7.819 1.00 0.00 N ATOM 500 CA GLU A 31 -0.445 20.478 -6.508 1.00 0.00 C ATOM 501 C GLU A 31 -0.766 19.513 -5.354 1.00 0.00 C ATOM 502 O GLU A 31 -0.615 19.891 -4.190 1.00 0.00 O ATOM 503 CB GLU A 31 -1.325 21.740 -6.423 1.00 0.00 C ATOM 504 CG GLU A 31 -0.932 22.818 -7.445 1.00 0.00 C ATOM 505 CD GLU A 31 -1.727 24.118 -7.229 1.00 0.00 C ATOM 506 OE1 GLU A 31 -2.821 24.277 -7.818 1.00 0.00 O ATOM 507 OE2 GLU A 31 -1.258 25.009 -6.484 1.00 0.00 O ATOM 0 H GLU A 31 -1.533 19.410 -7.933 1.00 0.00 H new ATOM 0 HA GLU A 31 0.605 20.752 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.367 21.461 -6.581 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.255 22.157 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.135 23.025 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.109 22.446 -8.454 1.00 0.00 H new ATOM 514 N ARG A 32 -1.194 18.274 -5.641 1.00 0.00 N ATOM 515 CA ARG A 32 -1.747 17.367 -4.628 1.00 0.00 C ATOM 516 C ARG A 32 -1.212 15.942 -4.739 1.00 0.00 C ATOM 517 O ARG A 32 -1.272 15.211 -3.753 1.00 0.00 O ATOM 518 CB ARG A 32 -3.285 17.416 -4.747 1.00 0.00 C ATOM 519 CG ARG A 32 -4.050 16.789 -3.567 1.00 0.00 C ATOM 520 CD ARG A 32 -5.575 16.972 -3.688 1.00 0.00 C ATOM 521 NE ARG A 32 -5.995 18.387 -3.759 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.130 19.244 -2.741 1.00 0.00 C ATOM 523 NH1 ARG A 32 -5.863 18.886 -1.486 1.00 0.00 N ATOM 524 NH2 ARG A 32 -6.544 20.472 -3.017 1.00 0.00 N ATOM 0 H ARG A 32 -1.166 17.875 -6.579 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.430 17.701 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.593 18.457 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.580 16.905 -5.664 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.818 15.725 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.706 17.239 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.926 16.452 -4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.059 16.500 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.206 18.751 -4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.547 17.938 -1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.975 19.560 -0.729 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.748 20.737 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.658 21.152 -2.266 1.00 0.00 H new ATOM 538 N ILE A 33 -0.672 15.521 -5.889 1.00 0.00 N ATOM 539 CA ILE A 33 -0.284 14.123 -6.079 1.00 0.00 C ATOM 540 C ILE A 33 0.802 13.685 -5.089 1.00 0.00 C ATOM 541 O ILE A 33 0.749 12.560 -4.592 1.00 0.00 O ATOM 542 CB ILE A 33 0.070 13.859 -7.559 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.229 12.354 -7.870 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.311 14.635 -8.053 1.00 0.00 C ATOM 545 CD1 ILE A 33 -1.036 11.532 -7.611 1.00 0.00 C ATOM 0 H ILE A 33 -0.496 16.123 -6.693 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.139 13.488 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.788 14.240 -8.113 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.519 12.237 -8.914 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.042 11.952 -7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.496 14.397 -9.101 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.136 15.706 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.179 14.350 -7.458 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.846 10.486 -7.852 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.317 11.617 -6.561 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.847 11.907 -8.235 1.00 0.00 H new ATOM 557 N ALA A 34 1.730 14.579 -4.726 1.00 0.00 N ATOM 558 CA ALA A 34 2.798 14.274 -3.778 1.00 0.00 C ATOM 559 C ALA A 34 2.256 13.858 -2.403 1.00 0.00 C ATOM 560 O ALA A 34 2.902 13.078 -1.706 1.00 0.00 O ATOM 561 CB ALA A 34 3.725 15.486 -3.641 1.00 0.00 C ATOM 0 H ALA A 34 1.758 15.534 -5.084 1.00 0.00 H new ATOM 0 HA ALA A 34 3.357 13.424 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.521 15.257 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.160 15.723 -4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.154 16.342 -3.280 1.00 0.00 H new ATOM 567 N THR A 35 1.077 14.345 -2.006 1.00 0.00 N ATOM 568 CA THR A 35 0.456 14.000 -0.733 1.00 0.00 C ATOM 569 C THR A 35 0.053 12.515 -0.716 1.00 0.00 C ATOM 570 O THR A 35 0.164 11.859 0.322 1.00 0.00 O ATOM 571 CB THR A 35 -0.749 14.936 -0.501 1.00 0.00 C ATOM 572 OG1 THR A 35 -0.386 16.277 -0.799 1.00 0.00 O ATOM 573 CG2 THR A 35 -1.251 14.888 0.945 1.00 0.00 C ATOM 0 H THR A 35 0.526 14.995 -2.567 1.00 0.00 H new ATOM 0 HA THR A 35 1.164 14.140 0.084 1.00 0.00 H new ATOM 0 HB THR A 35 -1.547 14.591 -1.159 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.156 16.865 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.099 15.563 1.058 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.561 13.872 1.189 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.451 15.195 1.618 1.00 0.00 H new ATOM 581 N ALA A 36 -0.379 11.967 -1.861 1.00 0.00 N ATOM 582 CA ALA A 36 -0.771 10.566 -1.993 1.00 0.00 C ATOM 583 C ALA A 36 0.400 9.674 -2.423 1.00 0.00 C ATOM 584 O ALA A 36 0.357 8.464 -2.202 1.00 0.00 O ATOM 585 CB ALA A 36 -1.898 10.464 -3.019 1.00 0.00 C ATOM 0 H ALA A 36 -0.465 12.495 -2.729 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.104 10.214 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.199 9.422 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.750 11.055 -2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.550 10.842 -3.980 1.00 0.00 H new ATOM 591 N VAL A 37 1.441 10.256 -3.022 1.00 0.00 N ATOM 592 CA VAL A 37 2.593 9.550 -3.569 1.00 0.00 C ATOM 593 C VAL A 37 3.855 10.209 -2.977 1.00 0.00 C ATOM 594 O VAL A 37 4.524 10.990 -3.657 1.00 0.00 O ATOM 595 CB VAL A 37 2.532 9.536 -5.117 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.565 8.551 -5.683 1.00 0.00 C ATOM 597 CG2 VAL A 37 1.153 9.122 -5.665 1.00 0.00 C ATOM 0 H VAL A 37 1.504 11.267 -3.142 1.00 0.00 H new ATOM 0 HA VAL A 37 2.606 8.497 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 37 2.740 10.559 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.510 8.552 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.565 8.852 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.354 7.549 -5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.177 9.132 -6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.909 8.118 -5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.396 9.822 -5.312 1.00 0.00 H new ATOM 607 N PRO A 38 4.170 9.954 -1.690 1.00 0.00 N ATOM 608 CA PRO A 38 5.248 10.639 -0.975 1.00 0.00 C ATOM 609 C PRO A 38 6.654 10.208 -1.426 1.00 0.00 C ATOM 610 O PRO A 38 7.640 10.821 -1.011 1.00 0.00 O ATOM 611 CB PRO A 38 5.008 10.328 0.506 1.00 0.00 C ATOM 612 CG PRO A 38 4.332 8.960 0.471 1.00 0.00 C ATOM 613 CD PRO A 38 3.473 9.044 -0.788 1.00 0.00 C ATOM 0 HA PRO A 38 5.224 11.709 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.942 10.301 1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.373 11.079 0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.059 8.150 0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.729 8.783 1.362 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.351 8.061 -1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.475 9.414 -0.555 1.00 0.00 H new ATOM 621 N ASP A 39 6.768 9.177 -2.268 1.00 0.00 N ATOM 622 CA ASP A 39 8.018 8.692 -2.842 1.00 0.00 C ATOM 623 C ASP A 39 7.723 8.372 -4.302 1.00 0.00 C ATOM 624 O ASP A 39 6.813 7.590 -4.589 1.00 0.00 O ATOM 625 CB ASP A 39 8.502 7.447 -2.080 1.00 0.00 C ATOM 626 CG ASP A 39 9.860 6.915 -2.577 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.174 7.025 -3.781 1.00 0.00 O ATOM 628 OD2 ASP A 39 10.621 6.367 -1.746 1.00 0.00 O ATOM 0 H ASP A 39 5.959 8.639 -2.578 1.00 0.00 H new ATOM 0 HA ASP A 39 8.813 9.434 -2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.580 7.687 -1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.755 6.659 -2.174 1.00 0.00 H new ATOM 633 N LYS A 40 8.458 8.992 -5.231 1.00 0.00 N ATOM 634 CA LYS A 40 8.242 8.826 -6.668 1.00 0.00 C ATOM 635 C LYS A 40 8.380 7.380 -7.154 1.00 0.00 C ATOM 636 O LYS A 40 7.925 7.088 -8.260 1.00 0.00 O ATOM 637 CB LYS A 40 9.165 9.762 -7.470 1.00 0.00 C ATOM 638 CG LYS A 40 10.669 9.566 -7.175 1.00 0.00 C ATOM 639 CD LYS A 40 11.522 9.609 -8.450 1.00 0.00 C ATOM 640 CE LYS A 40 11.298 8.331 -9.275 1.00 0.00 C ATOM 641 NZ LYS A 40 11.841 8.444 -10.645 1.00 0.00 N ATOM 0 H LYS A 40 9.224 9.626 -5.003 1.00 0.00 H new ATOM 0 HA LYS A 40 7.203 9.102 -6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.990 9.603 -8.534 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.894 10.795 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.007 10.342 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.817 8.610 -6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.260 10.485 -9.043 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.576 9.704 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.768 7.488 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.230 8.117 -9.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.535 7.625 -11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.491 9.318 -11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.880 8.468 -10.606 1.00 0.00 H new ATOM 655 N ASN A 41 9.027 6.494 -6.391 1.00 0.00 N ATOM 656 CA ASN A 41 9.164 5.083 -6.746 1.00 0.00 C ATOM 657 C ASN A 41 7.874 4.294 -6.478 1.00 0.00 C ATOM 658 O ASN A 41 7.711 3.196 -7.008 1.00 0.00 O ATOM 659 CB ASN A 41 10.340 4.465 -5.976 1.00 0.00 C ATOM 660 CG ASN A 41 10.544 2.979 -6.272 1.00 0.00 C ATOM 661 OD1 ASN A 41 10.526 2.154 -5.362 1.00 0.00 O ATOM 662 ND2 ASN A 41 10.767 2.594 -7.519 1.00 0.00 N ATOM 0 H ASN A 41 9.472 6.739 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 41 9.360 5.026 -7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.253 5.006 -6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.174 4.596 -4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.925 1.608 -7.728 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.781 3.283 -8.271 1.00 0.00 H new ATOM 669 N ASP A 42 6.963 4.809 -5.647 1.00 0.00 N ATOM 670 CA ASP A 42 5.730 4.101 -5.301 1.00 0.00 C ATOM 671 C ASP A 42 4.806 3.998 -6.522 1.00 0.00 C ATOM 672 O ASP A 42 4.788 4.901 -7.363 1.00 0.00 O ATOM 673 CB ASP A 42 5.025 4.799 -4.138 1.00 0.00 C ATOM 674 CG ASP A 42 3.983 3.863 -3.523 1.00 0.00 C ATOM 675 OD1 ASP A 42 4.402 2.927 -2.806 1.00 0.00 O ATOM 676 OD2 ASP A 42 2.774 4.055 -3.760 1.00 0.00 O ATOM 0 H ASP A 42 7.059 5.720 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 42 5.986 3.089 -4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.754 5.092 -3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.544 5.712 -4.488 1.00 0.00 H new ATOM 681 N THR A 43 4.063 2.898 -6.647 1.00 0.00 N ATOM 682 CA THR A 43 3.279 2.606 -7.847 1.00 0.00 C ATOM 683 C THR A 43 1.964 3.397 -7.807 1.00 0.00 C ATOM 684 O THR A 43 1.309 3.459 -6.764 1.00 0.00 O ATOM 685 CB THR A 43 3.020 1.089 -7.961 1.00 0.00 C ATOM 686 OG1 THR A 43 4.153 0.332 -7.570 1.00 0.00 O ATOM 687 CG2 THR A 43 2.643 0.683 -9.390 1.00 0.00 C ATOM 0 H THR A 43 3.988 2.186 -5.921 1.00 0.00 H new ATOM 0 HA THR A 43 3.838 2.913 -8.731 1.00 0.00 H new ATOM 0 HB THR A 43 2.188 0.877 -7.289 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.953 -0.624 -7.653 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.469 -0.392 -9.429 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.737 1.209 -9.690 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.455 0.944 -10.069 1.00 0.00 H new ATOM 695 N VAL A 44 1.536 3.956 -8.941 1.00 0.00 N ATOM 696 CA VAL A 44 0.377 4.841 -9.007 1.00 0.00 C ATOM 697 C VAL A 44 -0.552 4.313 -10.098 1.00 0.00 C ATOM 698 O VAL A 44 -0.384 4.609 -11.283 1.00 0.00 O ATOM 699 CB VAL A 44 0.796 6.317 -9.216 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.321 7.239 -8.714 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.097 6.716 -8.501 1.00 0.00 C ATOM 0 H VAL A 44 1.988 3.805 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.161 4.840 -8.059 1.00 0.00 H new ATOM 0 HB VAL A 44 0.972 6.423 -10.286 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.028 8.279 -8.860 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.236 7.038 -9.271 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.494 7.057 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.315 7.765 -8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.982 6.568 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.917 6.099 -8.867 1.00 0.00 H new ATOM 711 N LYS A 45 -1.517 3.481 -9.706 1.00 0.00 N ATOM 712 CA LYS A 45 -2.590 3.071 -10.602 1.00 0.00 C ATOM 713 C LYS A 45 -3.511 4.280 -10.750 1.00 0.00 C ATOM 714 O LYS A 45 -3.995 4.796 -9.738 1.00 0.00 O ATOM 715 CB LYS A 45 -3.330 1.863 -10.006 1.00 0.00 C ATOM 716 CG LYS A 45 -2.476 0.583 -9.962 1.00 0.00 C ATOM 717 CD LYS A 45 -2.346 -0.118 -11.322 1.00 0.00 C ATOM 718 CE LYS A 45 -1.606 -1.448 -11.120 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.587 -2.287 -12.341 1.00 0.00 N ATOM 0 H LYS A 45 -1.575 3.079 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.215 2.762 -11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.656 2.108 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.229 1.671 -10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.480 0.833 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.914 -0.112 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.332 -0.295 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.802 0.515 -12.023 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.581 -1.245 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.081 -2.003 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.245 -3.240 -12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.548 -2.353 -12.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.955 -1.859 -13.047 1.00 0.00 H new ATOM 733 N VAL A 46 -3.766 4.723 -11.979 1.00 0.00 N ATOM 734 CA VAL A 46 -4.629 5.870 -12.251 1.00 0.00 C ATOM 735 C VAL A 46 -5.732 5.454 -13.215 1.00 0.00 C ATOM 736 O VAL A 46 -5.511 4.624 -14.101 1.00 0.00 O ATOM 737 CB VAL A 46 -3.817 7.095 -12.732 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.933 7.646 -11.604 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.921 6.819 -13.951 1.00 0.00 C ATOM 0 H VAL A 46 -3.378 4.294 -12.819 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.107 6.195 -11.327 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.570 7.824 -13.033 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.373 8.507 -11.968 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.560 7.950 -10.766 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.238 6.873 -11.276 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.387 7.729 -14.223 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.203 6.037 -13.705 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.537 6.495 -14.790 1.00 0.00 H new ATOM 749 N TYR A 47 -6.932 5.994 -13.036 1.00 0.00 N ATOM 750 CA TYR A 47 -8.088 5.700 -13.870 1.00 0.00 C ATOM 751 C TYR A 47 -9.039 6.893 -13.826 1.00 0.00 C ATOM 752 O TYR A 47 -8.948 7.739 -12.931 1.00 0.00 O ATOM 753 CB TYR A 47 -8.769 4.404 -13.411 1.00 0.00 C ATOM 754 CG TYR A 47 -9.371 4.443 -12.020 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.549 4.285 -10.887 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.756 4.645 -11.864 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.101 4.362 -9.598 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.317 4.706 -10.579 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.488 4.577 -9.443 1.00 0.00 C ATOM 760 OH TYR A 47 -11.038 4.680 -8.203 1.00 0.00 O ATOM 0 H TYR A 47 -7.131 6.662 -12.291 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.776 5.541 -14.902 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.557 4.156 -14.122 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.038 3.596 -13.450 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.491 4.104 -11.010 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.387 4.753 -12.734 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.468 4.257 -8.729 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.380 4.851 -10.459 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.632 5.434 -7.726 1.00 0.00 H new ATOM 770 N CYS A 48 -9.942 6.979 -14.801 1.00 0.00 N ATOM 771 CA CYS A 48 -10.960 8.013 -14.884 1.00 0.00 C ATOM 772 C CYS A 48 -12.025 7.562 -15.882 1.00 0.00 C ATOM 773 O CYS A 48 -11.901 6.503 -16.504 1.00 0.00 O ATOM 774 CB CYS A 48 -10.315 9.338 -15.343 1.00 0.00 C ATOM 775 SG CYS A 48 -9.520 9.149 -16.966 1.00 0.00 S ATOM 0 H CYS A 48 -9.983 6.313 -15.572 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.420 8.175 -13.909 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.075 10.117 -15.395 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.577 9.661 -14.608 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.423 9.200 -17.900 1.00 0.00 H new ATOM 781 N ASN A 49 -13.051 8.388 -16.086 1.00 0.00 N ATOM 782 CA ASN A 49 -13.965 8.197 -17.204 1.00 0.00 C ATOM 783 C ASN A 49 -13.174 8.391 -18.503 1.00 0.00 C ATOM 784 O ASN A 49 -12.389 9.337 -18.602 1.00 0.00 O ATOM 785 CB ASN A 49 -15.119 9.206 -17.125 1.00 0.00 C ATOM 786 CG ASN A 49 -16.092 8.988 -18.279 1.00 0.00 C ATOM 787 OD1 ASN A 49 -16.116 9.748 -19.242 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.890 7.932 -18.222 1.00 0.00 N ATOM 0 H ASN A 49 -13.267 9.190 -15.494 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.394 7.195 -17.173 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.641 9.098 -16.174 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.726 10.222 -17.159 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.538 7.740 -18.986 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.857 7.311 -17.414 1.00 0.00 H new ATOM 795 N ALA A 50 -13.380 7.505 -19.482 1.00 0.00 N ATOM 796 CA ALA A 50 -12.810 7.547 -20.832 1.00 0.00 C ATOM 797 C ALA A 50 -11.271 7.647 -20.915 1.00 0.00 C ATOM 798 O ALA A 50 -10.746 7.969 -21.982 1.00 0.00 O ATOM 799 CB ALA A 50 -13.522 8.637 -21.651 1.00 0.00 C ATOM 0 H ALA A 50 -13.983 6.694 -19.346 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.000 6.568 -21.272 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.100 8.671 -22.656 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.586 8.410 -21.712 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.384 9.604 -21.167 1.00 0.00 H new ATOM 805 N GLY A 51 -10.532 7.374 -19.833 1.00 0.00 N ATOM 806 CA GLY A 51 -9.071 7.237 -19.828 1.00 0.00 C ATOM 807 C GLY A 51 -8.270 8.537 -20.022 1.00 0.00 C ATOM 808 O GLY A 51 -7.116 8.592 -19.594 1.00 0.00 O ATOM 0 H GLY A 51 -10.946 7.239 -18.911 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.772 6.787 -18.881 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.789 6.539 -20.616 1.00 0.00 H new ATOM 812 N ARG A 52 -8.839 9.596 -20.617 1.00 0.00 N ATOM 813 CA ARG A 52 -8.110 10.829 -20.953 1.00 0.00 C ATOM 814 C ARG A 52 -7.386 11.431 -19.772 1.00 0.00 C ATOM 815 O ARG A 52 -6.186 11.665 -19.874 1.00 0.00 O ATOM 816 CB ARG A 52 -9.032 11.883 -21.581 1.00 0.00 C ATOM 817 CG ARG A 52 -9.245 11.658 -23.088 1.00 0.00 C ATOM 818 CD ARG A 52 -9.864 12.888 -23.766 1.00 0.00 C ATOM 819 NE ARG A 52 -8.987 14.068 -23.645 1.00 0.00 N ATOM 820 CZ ARG A 52 -9.111 15.234 -24.284 1.00 0.00 C ATOM 821 NH1 ARG A 52 -10.085 15.437 -25.167 1.00 0.00 N ATOM 822 NH2 ARG A 52 -8.233 16.190 -24.010 1.00 0.00 N ATOM 0 H ARG A 52 -9.824 9.622 -20.880 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.360 10.528 -21.684 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.997 11.865 -21.074 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.607 12.874 -21.422 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.290 11.425 -23.559 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.894 10.795 -23.239 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.044 12.673 -24.819 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.832 13.105 -23.315 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.199 13.984 -23.003 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.755 14.694 -25.367 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.162 16.335 -25.644 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.492 16.022 -23.329 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.299 17.093 -24.480 1.00 0.00 H new ATOM 836 N GLN A 53 -8.078 11.658 -18.658 1.00 0.00 N ATOM 837 CA GLN A 53 -7.460 12.296 -17.500 1.00 0.00 C ATOM 838 C GLN A 53 -6.305 11.433 -16.967 1.00 0.00 C ATOM 839 O GLN A 53 -5.367 11.985 -16.404 1.00 0.00 O ATOM 840 CB GLN A 53 -8.490 12.631 -16.398 1.00 0.00 C ATOM 841 CG GLN A 53 -9.451 13.802 -16.698 1.00 0.00 C ATOM 842 CD GLN A 53 -10.276 13.619 -17.976 1.00 0.00 C ATOM 843 OE1 GLN A 53 -10.143 14.378 -18.931 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.114 12.593 -18.048 1.00 0.00 N ATOM 0 H GLN A 53 -9.060 11.411 -18.533 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.046 13.251 -17.825 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.086 11.739 -16.203 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.948 12.859 -15.480 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.130 13.927 -15.854 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.872 14.722 -16.780 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.221 11.965 -17.251 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.651 12.432 -18.900 1.00 0.00 H new ATOM 853 N SER A 54 -6.320 10.111 -17.178 1.00 0.00 N ATOM 854 CA SER A 54 -5.248 9.215 -16.751 1.00 0.00 C ATOM 855 C SER A 54 -4.033 9.314 -17.666 1.00 0.00 C ATOM 856 O SER A 54 -2.918 9.425 -17.163 1.00 0.00 O ATOM 857 CB SER A 54 -5.752 7.776 -16.698 1.00 0.00 C ATOM 858 OG SER A 54 -6.848 7.691 -15.813 1.00 0.00 O ATOM 0 H SER A 54 -7.085 9.633 -17.654 1.00 0.00 H new ATOM 0 HA SER A 54 -4.937 9.523 -15.753 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.049 7.447 -17.694 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.953 7.112 -16.368 1.00 0.00 H new ATOM 0 HG SER A 54 -7.627 8.131 -16.213 1.00 0.00 H new ATOM 864 N GLY A 55 -4.222 9.325 -18.989 1.00 0.00 N ATOM 865 CA GLY A 55 -3.113 9.517 -19.920 1.00 0.00 C ATOM 866 C GLY A 55 -2.498 10.902 -19.724 1.00 0.00 C ATOM 867 O GLY A 55 -1.280 11.047 -19.614 1.00 0.00 O ATOM 0 H GLY A 55 -5.131 9.203 -19.436 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.357 8.749 -19.760 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.466 9.409 -20.946 1.00 0.00 H new ATOM 871 N GLN A 56 -3.360 11.913 -19.598 1.00 0.00 N ATOM 872 CA GLN A 56 -2.976 13.293 -19.356 1.00 0.00 C ATOM 873 C GLN A 56 -2.272 13.450 -17.995 1.00 0.00 C ATOM 874 O GLN A 56 -1.318 14.223 -17.894 1.00 0.00 O ATOM 875 CB GLN A 56 -4.221 14.185 -19.514 1.00 0.00 C ATOM 876 CG GLN A 56 -4.565 14.384 -21.006 1.00 0.00 C ATOM 877 CD GLN A 56 -5.808 15.246 -21.243 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.769 14.826 -21.886 1.00 0.00 O ATOM 879 NE2 GLN A 56 -5.816 16.483 -20.773 1.00 0.00 N ATOM 0 H GLN A 56 -4.370 11.784 -19.664 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.239 13.615 -20.092 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.067 13.731 -18.998 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.043 15.153 -19.045 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.714 14.845 -21.507 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.717 13.408 -21.468 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.019 16.831 -20.240 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.619 17.088 -20.944 1.00 0.00 H new ATOM 888 N ALA A 57 -2.670 12.700 -16.959 1.00 0.00 N ATOM 889 CA ALA A 57 -1.960 12.693 -15.683 1.00 0.00 C ATOM 890 C ALA A 57 -0.611 11.983 -15.822 1.00 0.00 C ATOM 891 O ALA A 57 0.392 12.465 -15.300 1.00 0.00 O ATOM 892 CB ALA A 57 -2.808 12.032 -14.587 1.00 0.00 C ATOM 0 H ALA A 57 -3.486 12.088 -16.985 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.777 13.727 -15.391 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.257 12.039 -13.647 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.740 12.584 -14.466 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.030 11.003 -14.870 1.00 0.00 H new ATOM 898 N LYS A 58 -0.547 10.852 -16.529 1.00 0.00 N ATOM 899 CA LYS A 58 0.697 10.107 -16.687 1.00 0.00 C ATOM 900 C LYS A 58 1.758 10.967 -17.365 1.00 0.00 C ATOM 901 O LYS A 58 2.909 10.922 -16.932 1.00 0.00 O ATOM 902 CB LYS A 58 0.433 8.781 -17.421 1.00 0.00 C ATOM 903 CG LYS A 58 1.713 7.948 -17.603 1.00 0.00 C ATOM 904 CD LYS A 58 1.392 6.527 -18.094 1.00 0.00 C ATOM 905 CE LYS A 58 2.637 5.759 -18.571 1.00 0.00 C ATOM 906 NZ LYS A 58 3.651 5.544 -17.506 1.00 0.00 N ATOM 0 H LYS A 58 -1.348 10.433 -17.002 1.00 0.00 H new ATOM 0 HA LYS A 58 1.094 9.850 -15.705 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.300 8.199 -16.862 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.004 8.990 -18.398 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.372 8.441 -18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.252 7.895 -16.657 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.915 5.969 -17.288 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.673 6.585 -18.911 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.327 4.791 -18.966 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.097 6.306 -19.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.377 4.882 -17.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.097 6.452 -17.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.190 5.148 -16.662 1.00 0.00 H new ATOM 920 N GLU A 59 1.414 11.764 -18.382 1.00 0.00 N ATOM 921 CA GLU A 59 2.426 12.571 -19.058 1.00 0.00 C ATOM 922 C GLU A 59 2.975 13.678 -18.147 1.00 0.00 C ATOM 923 O GLU A 59 4.199 13.821 -18.080 1.00 0.00 O ATOM 924 CB GLU A 59 1.962 13.078 -20.435 1.00 0.00 C ATOM 925 CG GLU A 59 0.759 14.024 -20.423 1.00 0.00 C ATOM 926 CD GLU A 59 0.406 14.508 -21.841 1.00 0.00 C ATOM 927 OE1 GLU A 59 0.936 15.555 -22.279 1.00 0.00 O ATOM 928 OE2 GLU A 59 -0.411 13.858 -22.531 1.00 0.00 O ATOM 0 H GLU A 59 0.466 11.865 -18.746 1.00 0.00 H new ATOM 0 HA GLU A 59 3.268 11.913 -19.272 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.797 13.588 -20.914 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.717 12.216 -21.055 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.101 13.515 -19.987 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.977 14.883 -19.788 1.00 0.00 H new ATOM 935 N ILE A 60 2.146 14.418 -17.388 1.00 0.00 N ATOM 936 CA ILE A 60 2.680 15.437 -16.492 1.00 0.00 C ATOM 937 C ILE A 60 3.474 14.781 -15.362 1.00 0.00 C ATOM 938 O ILE A 60 4.513 15.303 -14.976 1.00 0.00 O ATOM 939 CB ILE A 60 1.581 16.388 -15.974 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.588 15.700 -15.011 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.887 17.071 -17.170 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.569 16.581 -14.555 1.00 0.00 C ATOM 0 H ILE A 60 1.130 14.327 -17.382 1.00 0.00 H new ATOM 0 HA ILE A 60 3.367 16.066 -17.058 1.00 0.00 H new ATOM 0 HB ILE A 60 2.055 17.159 -15.366 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.182 14.815 -15.501 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.134 15.356 -14.132 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.110 17.743 -16.805 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.621 17.641 -17.740 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.438 16.313 -17.812 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.214 16.015 -13.883 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.178 17.454 -14.033 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.144 16.904 -15.423 1.00 0.00 H new ATOM 954 N LEU A 61 3.045 13.617 -14.866 1.00 0.00 N ATOM 955 CA LEU A 61 3.747 12.928 -13.792 1.00 0.00 C ATOM 956 C LEU A 61 5.102 12.417 -14.272 1.00 0.00 C ATOM 957 O LEU A 61 6.076 12.492 -13.523 1.00 0.00 O ATOM 958 CB LEU A 61 2.881 11.789 -13.236 1.00 0.00 C ATOM 959 CG LEU A 61 1.678 12.300 -12.422 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.683 11.170 -12.133 1.00 0.00 C ATOM 961 CD2 LEU A 61 2.120 12.913 -11.096 1.00 0.00 C ATOM 0 H LEU A 61 2.210 13.134 -15.197 1.00 0.00 H new ATOM 0 HA LEU A 61 3.932 13.635 -12.984 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.521 11.175 -14.062 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.495 11.146 -12.605 1.00 0.00 H new ATOM 0 HG LEU A 61 1.194 13.066 -13.028 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.155 11.562 -11.557 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.316 10.759 -13.073 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.180 10.385 -11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.246 13.263 -10.548 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.643 12.162 -10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.788 13.753 -11.288 1.00 0.00 H new ATOM 973 N SER A 62 5.191 11.959 -15.521 1.00 0.00 N ATOM 974 CA SER A 62 6.455 11.560 -16.123 1.00 0.00 C ATOM 975 C SER A 62 7.405 12.762 -16.220 1.00 0.00 C ATOM 976 O SER A 62 8.599 12.618 -15.957 1.00 0.00 O ATOM 977 CB SER A 62 6.206 10.926 -17.497 1.00 0.00 C ATOM 978 OG SER A 62 5.316 9.824 -17.398 1.00 0.00 O ATOM 0 H SER A 62 4.387 11.856 -16.140 1.00 0.00 H new ATOM 0 HA SER A 62 6.933 10.813 -15.490 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.792 11.672 -18.175 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.152 10.596 -17.925 1.00 0.00 H new ATOM 0 HG SER A 62 4.391 10.146 -17.433 1.00 0.00 H new ATOM 984 N GLU A 63 6.888 13.954 -16.543 1.00 0.00 N ATOM 985 CA GLU A 63 7.682 15.179 -16.590 1.00 0.00 C ATOM 986 C GLU A 63 8.117 15.596 -15.173 1.00 0.00 C ATOM 987 O GLU A 63 9.269 15.985 -14.968 1.00 0.00 O ATOM 988 CB GLU A 63 6.861 16.281 -17.287 1.00 0.00 C ATOM 989 CG GLU A 63 7.669 17.542 -17.627 1.00 0.00 C ATOM 990 CD GLU A 63 8.729 17.290 -18.716 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.394 17.339 -19.922 1.00 0.00 O ATOM 992 OE2 GLU A 63 9.914 17.065 -18.383 1.00 0.00 O ATOM 0 H GLU A 63 5.905 14.092 -16.779 1.00 0.00 H new ATOM 0 HA GLU A 63 8.593 15.010 -17.164 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.435 15.876 -18.205 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.026 16.559 -16.644 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.989 18.326 -17.961 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.160 17.909 -16.725 1.00 0.00 H new ATOM 999 N MET A 64 7.221 15.479 -14.185 1.00 0.00 N ATOM 1000 CA MET A 64 7.491 15.798 -12.781 1.00 0.00 C ATOM 1001 C MET A 64 8.547 14.850 -12.191 1.00 0.00 C ATOM 1002 O MET A 64 9.315 15.273 -11.324 1.00 0.00 O ATOM 1003 CB MET A 64 6.187 15.753 -11.963 1.00 0.00 C ATOM 1004 CG MET A 64 5.239 16.915 -12.305 1.00 0.00 C ATOM 1005 SD MET A 64 3.516 16.705 -11.758 1.00 0.00 S ATOM 1006 CE MET A 64 3.672 17.048 -9.984 1.00 0.00 C ATOM 0 H MET A 64 6.268 15.153 -14.345 1.00 0.00 H new ATOM 0 HA MET A 64 7.894 16.810 -12.730 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.678 14.807 -12.147 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.427 15.784 -10.900 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.635 17.828 -11.859 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.244 17.060 -13.385 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.695 16.958 -9.509 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.361 16.333 -9.534 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.053 18.059 -9.841 1.00 0.00 H new ATOM 1016 N GLY A 65 8.617 13.600 -12.665 1.00 0.00 N ATOM 1017 CA GLY A 65 9.700 12.664 -12.367 1.00 0.00 C ATOM 1018 C GLY A 65 9.231 11.300 -11.859 1.00 0.00 C ATOM 1019 O GLY A 65 10.075 10.462 -11.537 1.00 0.00 O ATOM 0 H GLY A 65 7.905 13.206 -13.280 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.296 12.518 -13.268 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.356 13.111 -11.620 1.00 0.00 H new ATOM 1023 N TYR A 66 7.922 11.059 -11.751 1.00 0.00 N ATOM 1024 CA TYR A 66 7.392 9.758 -11.356 1.00 0.00 C ATOM 1025 C TYR A 66 7.601 8.770 -12.506 1.00 0.00 C ATOM 1026 O TYR A 66 7.501 9.147 -13.676 1.00 0.00 O ATOM 1027 CB TYR A 66 5.903 9.862 -10.997 1.00 0.00 C ATOM 1028 CG TYR A 66 5.584 10.811 -9.852 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.433 12.192 -10.090 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.441 10.314 -8.543 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.160 13.075 -9.032 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.175 11.193 -7.476 1.00 0.00 C ATOM 1033 CZ TYR A 66 5.032 12.578 -7.715 1.00 0.00 C ATOM 1034 OH TYR A 66 4.776 13.419 -6.673 1.00 0.00 O ATOM 0 H TYR A 66 7.204 11.760 -11.935 1.00 0.00 H new ATOM 0 HA TYR A 66 7.920 9.405 -10.470 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.353 10.185 -11.881 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.536 8.868 -10.739 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.528 12.575 -11.095 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.536 9.254 -8.356 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.048 14.132 -9.225 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.080 10.807 -6.472 1.00 0.00 H new ATOM 0 HH TYR A 66 4.720 12.903 -5.842 1.00 0.00 H new ATOM 1044 N THR A 67 7.858 7.503 -12.180 1.00 0.00 N ATOM 1045 CA THR A 67 8.292 6.497 -13.155 1.00 0.00 C ATOM 1046 C THR A 67 7.500 5.182 -13.042 1.00 0.00 C ATOM 1047 O THR A 67 7.832 4.204 -13.715 1.00 0.00 O ATOM 1048 CB THR A 67 9.822 6.316 -13.019 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.238 6.333 -11.661 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.565 7.474 -13.693 1.00 0.00 C ATOM 0 H THR A 67 7.771 7.142 -11.230 1.00 0.00 H new ATOM 0 HA THR A 67 8.074 6.846 -14.164 1.00 0.00 H new ATOM 0 HB THR A 67 10.051 5.357 -13.483 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.026 5.760 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.640 7.328 -13.586 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.306 7.505 -14.751 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.278 8.414 -13.222 1.00 0.00 H new ATOM 1058 N HIS A 68 6.440 5.154 -12.219 1.00 0.00 N ATOM 1059 CA HIS A 68 5.668 3.948 -11.898 1.00 0.00 C ATOM 1060 C HIS A 68 4.164 4.254 -11.913 1.00 0.00 C ATOM 1061 O HIS A 68 3.385 3.678 -11.151 1.00 0.00 O ATOM 1062 CB HIS A 68 6.145 3.364 -10.554 1.00 0.00 C ATOM 1063 CG HIS A 68 7.644 3.210 -10.458 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.401 2.123 -10.835 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.516 4.189 -10.073 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.696 2.448 -10.681 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.823 3.705 -10.210 1.00 0.00 N ATOM 0 H HIS A 68 6.090 5.989 -11.749 1.00 0.00 H new ATOM 0 HA HIS A 68 5.839 3.188 -12.660 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.802 4.009 -9.745 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.678 2.390 -10.405 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.243 5.173 -9.721 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.523 1.791 -10.904 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.689 4.200 -9.998 1.00 0.00 H new ATOM 1075 N VAL A 69 3.764 5.206 -12.755 1.00 0.00 N ATOM 1076 CA VAL A 69 2.367 5.547 -12.994 1.00 0.00 C ATOM 1077 C VAL A 69 1.883 4.627 -14.116 1.00 0.00 C ATOM 1078 O VAL A 69 2.589 4.463 -15.116 1.00 0.00 O ATOM 1079 CB VAL A 69 2.239 7.037 -13.378 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.768 7.464 -13.489 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.945 7.957 -12.368 1.00 0.00 C ATOM 0 H VAL A 69 4.416 5.771 -13.299 1.00 0.00 H new ATOM 0 HA VAL A 69 1.757 5.406 -12.102 1.00 0.00 H new ATOM 0 HB VAL A 69 2.724 7.140 -14.349 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.715 8.518 -13.761 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.272 6.867 -14.254 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.271 7.311 -12.531 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.829 8.995 -12.679 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.502 7.822 -11.381 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.005 7.707 -12.327 1.00 0.00 H new ATOM 1091 N GLU A 70 0.688 4.056 -13.990 1.00 0.00 N ATOM 1092 CA GLU A 70 0.115 3.171 -14.995 1.00 0.00 C ATOM 1093 C GLU A 70 -1.394 3.399 -15.030 1.00 0.00 C ATOM 1094 O GLU A 70 -2.046 3.426 -13.983 1.00 0.00 O ATOM 1095 CB GLU A 70 0.469 1.717 -14.644 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.025 0.730 -15.709 1.00 0.00 C ATOM 1097 CD GLU A 70 0.427 -0.704 -15.394 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -0.178 -1.343 -14.505 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.376 -1.207 -16.039 1.00 0.00 O ATOM 0 H GLU A 70 0.086 4.197 -13.179 1.00 0.00 H new ATOM 0 HA GLU A 70 0.519 3.380 -15.986 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.550 1.623 -14.537 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.030 1.460 -13.680 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.113 0.767 -15.765 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.355 1.027 -16.687 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.958 3.571 -16.229 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.403 3.661 -16.378 1.00 0.00 C ATOM 1108 C ASN A 71 -4.008 2.267 -16.210 1.00 0.00 C ATOM 1109 O ASN A 71 -3.794 1.397 -17.056 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.813 4.283 -17.720 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.325 4.194 -17.933 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.786 3.754 -18.980 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -6.133 4.579 -16.954 1.00 0.00 N ATOM 0 H ASN A 71 -1.436 3.650 -17.102 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.789 4.325 -15.604 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.500 5.327 -17.751 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.298 3.772 -18.533 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.144 4.510 -17.070 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.743 4.944 -16.085 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.761 2.058 -15.127 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.447 0.800 -14.860 1.00 0.00 C ATOM 1122 C ALA A 72 -6.579 0.547 -15.867 1.00 0.00 C ATOM 1123 O ALA A 72 -6.878 -0.609 -16.170 1.00 0.00 O ATOM 1124 CB ALA A 72 -6.001 0.817 -13.432 1.00 0.00 C ATOM 0 H ALA A 72 -4.910 2.765 -14.408 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.728 -0.012 -14.967 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.515 -0.123 -13.230 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.181 0.942 -12.725 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.702 1.644 -13.324 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.208 1.611 -16.376 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.328 1.550 -17.305 1.00 0.00 C ATOM 1132 C GLY A 73 -9.283 2.694 -17.001 1.00 0.00 C ATOM 1133 O GLY A 73 -8.838 3.818 -16.751 1.00 0.00 O ATOM 0 H GLY A 73 -6.939 2.567 -16.142 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.970 1.621 -18.332 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.843 0.594 -17.212 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.583 2.406 -16.992 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.617 3.365 -16.646 1.00 0.00 C ATOM 1139 C GLY A 74 -12.741 2.687 -15.877 1.00 0.00 C ATOM 1140 O GLY A 74 -12.789 1.457 -15.776 1.00 0.00 O ATOM 0 H GLY A 74 -10.948 1.484 -17.229 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.190 4.167 -16.044 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.014 3.823 -17.552 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.646 3.502 -15.331 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.670 3.090 -14.367 1.00 0.00 C ATOM 1146 C LEU A 75 -15.512 1.904 -14.846 1.00 0.00 C ATOM 1147 O LEU A 75 -15.813 1.004 -14.061 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.570 4.306 -14.073 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.585 4.103 -12.927 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -15.876 3.869 -11.587 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -17.471 5.349 -12.852 1.00 0.00 C ATOM 0 H LEU A 75 -13.688 4.496 -15.554 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.166 2.747 -13.463 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.936 5.159 -13.830 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.116 4.563 -14.981 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.189 3.218 -13.128 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.619 3.730 -10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.251 2.979 -11.657 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.254 4.732 -11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -18.198 5.231 -12.049 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.852 6.224 -12.655 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.995 5.481 -13.799 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.888 1.899 -16.130 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.752 0.871 -16.714 1.00 0.00 C ATOM 1165 C LYS A 76 -16.004 -0.420 -17.066 1.00 0.00 C ATOM 1166 O LYS A 76 -16.651 -1.403 -17.429 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.488 1.443 -17.942 1.00 0.00 C ATOM 1168 CG LYS A 76 -16.564 1.797 -19.122 1.00 0.00 C ATOM 1169 CD LYS A 76 -17.375 2.337 -20.308 1.00 0.00 C ATOM 1170 CE LYS A 76 -16.444 2.661 -21.485 1.00 0.00 C ATOM 1171 NZ LYS A 76 -17.187 3.164 -22.667 1.00 0.00 N ATOM 0 H LYS A 76 -15.598 2.614 -16.797 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.480 0.591 -15.953 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -18.228 0.717 -18.279 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -18.033 2.337 -17.641 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.833 2.542 -18.807 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -16.006 0.913 -19.430 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.118 1.601 -20.615 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.919 3.233 -20.008 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.713 3.407 -21.173 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.887 1.766 -21.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.518 3.369 -23.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.867 2.443 -22.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.698 4.033 -22.412 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.670 -0.431 -16.994 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.835 -1.520 -17.510 1.00 0.00 C ATOM 1187 C ASP A 77 -13.054 -2.214 -16.395 1.00 0.00 C ATOM 1188 O ASP A 77 -12.850 -3.427 -16.456 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.871 -0.965 -18.564 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.929 -2.060 -19.090 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.379 -2.925 -19.876 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.725 -2.039 -18.751 1.00 0.00 O ATOM 0 H ASP A 77 -14.133 0.325 -16.570 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.489 -2.266 -17.961 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.439 -0.542 -19.393 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.284 -0.154 -18.132 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.656 -1.474 -15.356 1.00 0.00 N ATOM 1198 CA ILE A 78 -12.030 -2.029 -14.161 1.00 0.00 C ATOM 1199 C ILE A 78 -13.083 -2.901 -13.464 1.00 0.00 C ATOM 1200 O ILE A 78 -14.183 -2.429 -13.167 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.482 -0.875 -13.285 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.305 -0.184 -14.016 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.020 -1.378 -11.904 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.954 1.193 -13.450 1.00 0.00 C ATOM 0 H ILE A 78 -12.763 -0.460 -15.325 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.170 -2.659 -14.388 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.289 -0.161 -13.124 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.426 -0.826 -13.958 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.555 -0.080 -15.072 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.642 -0.539 -11.319 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.862 -1.834 -11.383 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.229 -2.117 -12.032 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.121 1.616 -14.012 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.819 1.852 -13.533 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.672 1.094 -12.402 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.758 -4.172 -13.209 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.707 -5.160 -12.693 1.00 0.00 C ATOM 1218 C ALA A 79 -13.919 -5.070 -11.171 1.00 0.00 C ATOM 1219 O ALA A 79 -14.814 -5.733 -10.643 1.00 0.00 O ATOM 1220 CB ALA A 79 -13.216 -6.563 -13.073 1.00 0.00 C ATOM 0 H ALA A 79 -11.821 -4.546 -13.357 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.676 -4.949 -13.146 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.915 -7.308 -12.694 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.152 -6.645 -14.158 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.232 -6.734 -12.637 1.00 0.00 H new ATOM 1226 N MET A 80 -13.092 -4.296 -10.459 1.00 0.00 N ATOM 1227 CA MET A 80 -13.143 -4.177 -8.999 1.00 0.00 C ATOM 1228 C MET A 80 -14.477 -3.554 -8.540 1.00 0.00 C ATOM 1229 O MET A 80 -15.094 -2.821 -9.321 1.00 0.00 O ATOM 1230 CB MET A 80 -11.958 -3.333 -8.501 1.00 0.00 C ATOM 1231 CG MET A 80 -10.606 -4.008 -8.772 1.00 0.00 C ATOM 1232 SD MET A 80 -9.145 -3.018 -8.344 1.00 0.00 S ATOM 1233 CE MET A 80 -9.233 -3.015 -6.532 1.00 0.00 C ATOM 0 H MET A 80 -12.360 -3.728 -10.886 1.00 0.00 H new ATOM 0 HA MET A 80 -13.075 -5.176 -8.569 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.979 -2.358 -8.989 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.065 -3.156 -7.431 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.567 -4.943 -8.214 1.00 0.00 H new ATOM 0 HG3 MET A 80 -10.553 -4.266 -9.830 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.397 -2.443 -6.128 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.171 -2.560 -6.214 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.183 -4.040 -6.164 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.927 -3.805 -7.293 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.065 -3.112 -6.685 1.00 0.00 C ATOM 1245 C PRO A 81 -15.887 -1.591 -6.646 1.00 0.00 C ATOM 1246 O PRO A 81 -14.762 -1.085 -6.707 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.188 -3.672 -5.261 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.492 -5.027 -5.335 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.390 -4.789 -6.364 1.00 0.00 C ATOM 0 HA PRO A 81 -16.963 -3.283 -7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.710 -3.017 -4.532 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.231 -3.775 -4.961 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.085 -5.325 -4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.175 -5.815 -5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.481 -4.422 -5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.129 -5.713 -6.880 1.00 0.00 H new ATOM 1257 N LYS A 82 -16.991 -0.857 -6.462 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.000 0.605 -6.391 1.00 0.00 C ATOM 1259 C LYS A 82 -17.800 1.082 -5.181 1.00 0.00 C ATOM 1260 O LYS A 82 -18.649 0.352 -4.667 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.583 1.235 -7.674 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.730 1.047 -8.938 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.137 -0.178 -9.763 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.210 -0.319 -10.976 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.329 -1.657 -11.594 1.00 0.00 N ATOM 0 H LYS A 82 -17.917 -1.271 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.964 0.927 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.570 0.808 -7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.723 2.303 -7.505 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.811 1.939 -9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.683 0.952 -8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.085 -1.076 -9.147 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.171 -0.078 -10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.454 0.447 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.178 -0.149 -10.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.618 -1.756 -12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.172 -2.388 -10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.280 -1.769 -11.999 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.552 2.325 -4.769 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.250 3.041 -3.706 1.00 0.00 C ATOM 1281 C VAL A 83 -18.425 4.498 -4.152 1.00 0.00 C ATOM 1282 O VAL A 83 -17.625 5.008 -4.949 1.00 0.00 O ATOM 1283 CB VAL A 83 -17.470 2.933 -2.372 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -17.361 1.480 -1.885 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.057 3.538 -2.442 1.00 0.00 C ATOM 0 H VAL A 83 -16.816 2.890 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.231 2.601 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.056 3.515 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.807 1.451 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.360 1.073 -1.729 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.839 0.884 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.566 3.429 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.476 3.019 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.126 4.596 -2.696 1.00 0.00 H new