USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 662 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 67 THR OG1 : rot 92:sc= 0.604 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.103 K(o=0.71,f=-0.72) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -174:sc= 0.525 (180deg=-0.0331) USER MOD Set 2.2: A 62 SER OG : rot 77:sc= 1.71 USER MOD Set 3.1: A 48 CYS SG : rot 120:sc= 0.832 USER MOD Set 3.2: A 54 SER OG : rot 74:sc= 0.886 USER MOD Single : A 1 ALA N :NH3+ 171:sc= 1.18 (180deg=1.09) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.929 K(o=0.93,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.998 K(o=1,f=-0.03) USER MOD Single : A 17 HIS : no HE2:sc= 0.179 K(o=0.18,f=-0.96) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.691 K(o=0.69,f=-3.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0292) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00509 USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.19) USER MOD Single : A 41 ASN : amide:sc= 1.21 K(o=1.2,f=-0.017) USER MOD Single : A 43 THR OG1 : rot 81:sc= 1.16 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 1.17 (180deg=0.868) USER MOD Single : A 47 TYR OH : rot 50:sc= 0.169 USER MOD Single : A 49 ASN : amide:sc= -1.75! K(o=-1.7!,f=-0.26) USER MOD Single : A 53 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.37) USER MOD Single : A 56 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -9:sc= 0.669 USER MOD Single : A 71 ASN : amide:sc= 0.989 K(o=0.99,f=0.013) USER MOD Single : A 76 LYS NZ :NH3+ -153:sc= 1.2 (180deg=0.872) USER MOD Single : A 80 MET CE :methyl 173:sc= 0 (180deg=-0.0866) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 1.73 (180deg=1.64) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.062 0.203 -2.858 1.00 0.00 N ATOM 2 CA ALA A 1 3.695 -0.353 -2.881 1.00 0.00 C ATOM 3 C ALA A 1 2.924 0.270 -4.056 1.00 0.00 C ATOM 4 O ALA A 1 3.519 0.560 -5.102 1.00 0.00 O ATOM 5 CB ALA A 1 3.004 -0.166 -1.514 1.00 0.00 C ATOM 0 H1 ALA A 1 5.542 -0.092 -1.984 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.593 -0.148 -3.680 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.015 1.241 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 1 3.723 -1.430 -3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.998 -0.583 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.579 -0.679 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.947 0.897 -1.278 1.00 0.00 H new ATOM 13 N GLU A 2 1.608 0.464 -3.930 1.00 0.00 N ATOM 14 CA GLU A 2 0.765 1.072 -4.950 1.00 0.00 C ATOM 15 C GLU A 2 -0.344 1.885 -4.283 1.00 0.00 C ATOM 16 O GLU A 2 -0.691 1.632 -3.124 1.00 0.00 O ATOM 17 CB GLU A 2 0.173 -0.022 -5.867 1.00 0.00 C ATOM 18 CG GLU A 2 -0.826 -0.965 -5.166 1.00 0.00 C ATOM 19 CD GLU A 2 -1.275 -2.116 -6.079 1.00 0.00 C ATOM 20 OE1 GLU A 2 -0.494 -3.069 -6.297 1.00 0.00 O ATOM 21 OE2 GLU A 2 -2.416 -2.082 -6.596 1.00 0.00 O ATOM 0 H GLU A 2 1.092 0.194 -3.093 1.00 0.00 H new ATOM 0 HA GLU A 2 1.364 1.743 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.327 0.457 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.989 -0.616 -6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.366 -1.375 -4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.699 -0.395 -4.847 1.00 0.00 H new ATOM 28 N HIS A 3 -0.945 2.799 -5.046 1.00 0.00 N ATOM 29 CA HIS A 3 -2.168 3.503 -4.695 1.00 0.00 C ATOM 30 C HIS A 3 -3.021 3.594 -5.959 1.00 0.00 C ATOM 31 O HIS A 3 -2.506 3.872 -7.048 1.00 0.00 O ATOM 32 CB HIS A 3 -1.860 4.900 -4.129 1.00 0.00 C ATOM 33 CG HIS A 3 -1.315 4.882 -2.721 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.012 4.551 -1.578 1.00 0.00 N ATOM 35 CD2 HIS A 3 -0.042 5.205 -2.334 1.00 0.00 C ATOM 36 CE1 HIS A 3 -1.175 4.662 -0.533 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.045 5.061 -0.941 1.00 0.00 N ATOM 0 H HIS A 3 -0.577 3.075 -5.956 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.706 2.965 -3.915 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.140 5.395 -4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.771 5.498 -4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.758 5.517 -2.989 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.444 4.459 0.493 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.865 5.225 -0.357 1.00 0.00 H new ATOM 45 N TRP A 4 -4.323 3.351 -5.801 1.00 0.00 N ATOM 46 CA TRP A 4 -5.320 3.526 -6.846 1.00 0.00 C ATOM 47 C TRP A 4 -5.808 4.957 -6.719 1.00 0.00 C ATOM 48 O TRP A 4 -6.322 5.347 -5.668 1.00 0.00 O ATOM 49 CB TRP A 4 -6.455 2.507 -6.676 1.00 0.00 C ATOM 50 CG TRP A 4 -6.049 1.102 -7.017 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.182 0.337 -6.316 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.412 0.306 -8.187 1.00 0.00 C ATOM 53 NE1 TRP A 4 -4.961 -0.853 -6.974 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.713 -0.939 -8.126 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.245 0.519 -9.307 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -5.840 -1.921 -9.121 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.379 -0.460 -10.310 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.679 -1.676 -10.221 1.00 0.00 C ATOM 0 H TRP A 4 -4.718 3.020 -4.921 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.910 3.353 -7.841 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.808 2.536 -5.645 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.294 2.799 -7.308 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.729 0.618 -5.377 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.322 -1.579 -6.650 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.788 1.448 -9.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.300 -2.853 -9.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.025 -0.275 -11.155 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.786 -2.420 -10.996 1.00 0.00 H new ATOM 69 N ILE A 5 -5.608 5.746 -7.768 1.00 0.00 N ATOM 70 CA ILE A 5 -5.788 7.185 -7.745 1.00 0.00 C ATOM 71 C ILE A 5 -6.676 7.514 -8.938 1.00 0.00 C ATOM 72 O ILE A 5 -6.249 7.466 -10.092 1.00 0.00 O ATOM 73 CB ILE A 5 -4.400 7.875 -7.748 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.713 7.733 -6.367 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.502 9.369 -8.090 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.189 7.786 -6.445 1.00 0.00 C ATOM 0 H ILE A 5 -5.310 5.391 -8.677 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.278 7.557 -6.845 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.807 7.377 -8.515 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.065 8.529 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.015 6.789 -5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.507 9.813 -8.081 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.943 9.486 -9.080 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.129 9.869 -7.352 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.770 7.681 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.829 6.974 -7.077 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.879 8.741 -6.870 1.00 0.00 H new ATOM 88 N ASP A 6 -7.943 7.795 -8.663 1.00 0.00 N ATOM 89 CA ASP A 6 -8.822 8.374 -9.660 1.00 0.00 C ATOM 90 C ASP A 6 -8.291 9.778 -9.987 1.00 0.00 C ATOM 91 O ASP A 6 -7.798 10.467 -9.091 1.00 0.00 O ATOM 92 CB ASP A 6 -10.236 8.449 -9.093 1.00 0.00 C ATOM 93 CG ASP A 6 -11.156 9.120 -10.096 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.188 10.366 -10.109 1.00 0.00 O ATOM 95 OD2 ASP A 6 -11.838 8.408 -10.864 1.00 0.00 O ATOM 0 H ASP A 6 -8.381 7.630 -7.757 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.849 7.770 -10.567 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.600 7.447 -8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.233 9.008 -8.157 1.00 0.00 H new ATOM 100 N VAL A 7 -8.399 10.236 -11.233 1.00 0.00 N ATOM 101 CA VAL A 7 -7.927 11.565 -11.631 1.00 0.00 C ATOM 102 C VAL A 7 -9.007 12.378 -12.362 1.00 0.00 C ATOM 103 O VAL A 7 -8.692 13.395 -12.987 1.00 0.00 O ATOM 104 CB VAL A 7 -6.580 11.456 -12.384 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.448 10.885 -11.516 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.658 10.568 -13.631 1.00 0.00 C ATOM 0 H VAL A 7 -8.815 9.700 -11.995 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.726 12.148 -10.732 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.363 12.487 -12.663 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.530 10.834 -12.102 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.291 11.530 -10.652 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.718 9.885 -11.177 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.682 10.533 -14.114 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.957 9.560 -13.342 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.391 10.979 -14.325 1.00 0.00 H new ATOM 116 N ARG A 8 -10.284 11.971 -12.285 1.00 0.00 N ATOM 117 CA ARG A 8 -11.394 12.771 -12.812 1.00 0.00 C ATOM 118 C ARG A 8 -11.434 14.132 -12.143 1.00 0.00 C ATOM 119 O ARG A 8 -10.926 14.308 -11.030 1.00 0.00 O ATOM 120 CB ARG A 8 -12.756 12.105 -12.547 1.00 0.00 C ATOM 121 CG ARG A 8 -13.103 11.036 -13.576 1.00 0.00 C ATOM 122 CD ARG A 8 -14.382 10.293 -13.202 1.00 0.00 C ATOM 123 NE ARG A 8 -14.092 9.351 -12.124 1.00 0.00 N ATOM 124 CZ ARG A 8 -14.956 8.576 -11.485 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.264 8.675 -11.669 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.469 7.695 -10.635 1.00 0.00 N ATOM 0 H ARG A 8 -10.571 11.089 -11.861 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.224 12.861 -13.885 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.749 11.657 -11.553 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.534 12.868 -12.547 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.223 11.498 -14.556 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.279 10.327 -13.657 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.149 11.000 -12.886 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.775 9.762 -14.069 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.117 9.282 -11.831 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.637 9.365 -12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.899 8.061 -11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.462 7.629 -10.490 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.099 7.079 -10.122 1.00 0.00 H new ATOM 140 N VAL A 9 -12.125 15.066 -12.801 1.00 0.00 N ATOM 141 CA VAL A 9 -12.493 16.324 -12.176 1.00 0.00 C ATOM 142 C VAL A 9 -13.253 15.972 -10.872 1.00 0.00 C ATOM 143 O VAL A 9 -13.969 14.960 -10.846 1.00 0.00 O ATOM 144 CB VAL A 9 -13.274 17.223 -13.164 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.456 17.481 -14.441 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.634 16.648 -13.579 1.00 0.00 C ATOM 0 H VAL A 9 -12.438 14.968 -13.767 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.624 16.925 -11.909 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.450 18.151 -12.620 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.028 18.115 -15.118 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.522 17.979 -14.180 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.237 16.532 -14.931 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.123 17.333 -14.272 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.488 15.683 -14.065 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.259 16.518 -12.696 1.00 0.00 H new ATOM 156 N PRO A 10 -13.150 16.768 -9.794 1.00 0.00 N ATOM 157 CA PRO A 10 -13.608 16.349 -8.469 1.00 0.00 C ATOM 158 C PRO A 10 -15.106 16.035 -8.404 1.00 0.00 C ATOM 159 O PRO A 10 -15.523 15.163 -7.640 1.00 0.00 O ATOM 160 CB PRO A 10 -13.214 17.488 -7.521 1.00 0.00 C ATOM 161 CG PRO A 10 -13.087 18.706 -8.437 1.00 0.00 C ATOM 162 CD PRO A 10 -12.584 18.107 -9.747 1.00 0.00 C ATOM 0 HA PRO A 10 -13.141 15.405 -8.189 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.969 17.645 -6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.276 17.274 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.043 19.213 -8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.389 19.440 -8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.907 18.701 -10.602 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.495 18.076 -9.773 1.00 0.00 H new ATOM 170 N GLU A 11 -15.927 16.713 -9.207 1.00 0.00 N ATOM 171 CA GLU A 11 -17.367 16.482 -9.239 1.00 0.00 C ATOM 172 C GLU A 11 -17.720 15.157 -9.918 1.00 0.00 C ATOM 173 O GLU A 11 -18.733 14.555 -9.562 1.00 0.00 O ATOM 174 CB GLU A 11 -18.054 17.636 -9.976 1.00 0.00 C ATOM 175 CG GLU A 11 -18.098 18.912 -9.125 1.00 0.00 C ATOM 176 CD GLU A 11 -18.829 20.053 -9.855 1.00 0.00 C ATOM 177 OE1 GLU A 11 -20.069 20.175 -9.721 1.00 0.00 O ATOM 178 OE2 GLU A 11 -18.172 20.856 -10.557 1.00 0.00 O ATOM 0 H GLU A 11 -15.610 17.437 -9.852 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.718 16.430 -8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.525 17.839 -10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.069 17.343 -10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.600 18.703 -8.180 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.082 19.225 -8.884 1.00 0.00 H new ATOM 185 N GLN A 12 -16.914 14.683 -10.878 1.00 0.00 N ATOM 186 CA GLN A 12 -17.205 13.448 -11.598 1.00 0.00 C ATOM 187 C GLN A 12 -16.693 12.264 -10.786 1.00 0.00 C ATOM 188 O GLN A 12 -17.311 11.202 -10.820 1.00 0.00 O ATOM 189 CB GLN A 12 -16.587 13.464 -13.007 1.00 0.00 C ATOM 190 CG GLN A 12 -17.327 14.424 -13.955 1.00 0.00 C ATOM 191 CD GLN A 12 -16.737 14.453 -15.370 1.00 0.00 C ATOM 192 OE1 GLN A 12 -15.817 13.714 -15.715 1.00 0.00 O ATOM 193 NE2 GLN A 12 -17.251 15.318 -16.230 1.00 0.00 N ATOM 0 H GLN A 12 -16.052 15.143 -11.171 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.284 13.356 -11.725 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.540 13.758 -12.939 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.609 12.457 -13.423 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.375 14.131 -14.012 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.299 15.430 -13.537 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.014 15.931 -15.943 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.884 15.372 -17.180 1.00 0.00 H new ATOM 202 N TYR A 13 -15.605 12.447 -10.030 1.00 0.00 N ATOM 203 CA TYR A 13 -15.054 11.429 -9.142 1.00 0.00 C ATOM 204 C TYR A 13 -16.127 10.877 -8.199 1.00 0.00 C ATOM 205 O TYR A 13 -16.299 9.662 -8.092 1.00 0.00 O ATOM 206 CB TYR A 13 -13.852 12.015 -8.381 1.00 0.00 C ATOM 207 CG TYR A 13 -13.690 11.581 -6.931 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.464 10.229 -6.595 1.00 0.00 C ATOM 209 CD2 TYR A 13 -13.757 12.550 -5.910 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.291 9.859 -5.249 1.00 0.00 C ATOM 211 CE2 TYR A 13 -13.607 12.181 -4.563 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.370 10.830 -4.225 1.00 0.00 C ATOM 213 OH TYR A 13 -13.199 10.483 -2.918 1.00 0.00 O ATOM 0 H TYR A 13 -15.078 13.320 -10.021 1.00 0.00 H new ATOM 0 HA TYR A 13 -14.704 10.583 -9.733 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -12.943 11.748 -8.921 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.930 13.102 -8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.424 9.479 -7.371 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.925 13.586 -6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.097 8.827 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.673 12.929 -3.787 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.286 11.280 -2.354 1.00 0.00 H new ATOM 223 N GLN A 14 -16.870 11.776 -7.546 1.00 0.00 N ATOM 224 CA GLN A 14 -17.806 11.430 -6.479 1.00 0.00 C ATOM 225 C GLN A 14 -18.980 10.572 -6.970 1.00 0.00 C ATOM 226 O GLN A 14 -19.654 9.946 -6.149 1.00 0.00 O ATOM 227 CB GLN A 14 -18.327 12.726 -5.833 1.00 0.00 C ATOM 228 CG GLN A 14 -17.230 13.471 -5.058 1.00 0.00 C ATOM 229 CD GLN A 14 -17.665 14.886 -4.682 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.446 15.096 -3.756 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.172 15.886 -5.395 1.00 0.00 N ATOM 0 H GLN A 14 -16.836 12.775 -7.748 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.269 10.827 -5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -18.730 13.379 -6.607 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.149 12.488 -5.157 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -16.981 12.915 -4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.325 13.517 -5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.525 15.696 -6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.439 16.846 -5.179 1.00 0.00 H new ATOM 240 N GLN A 15 -19.249 10.552 -8.281 1.00 0.00 N ATOM 241 CA GLN A 15 -20.444 9.928 -8.832 1.00 0.00 C ATOM 242 C GLN A 15 -20.401 8.399 -8.701 1.00 0.00 C ATOM 243 O GLN A 15 -21.457 7.794 -8.531 1.00 0.00 O ATOM 244 CB GLN A 15 -20.639 10.359 -10.299 1.00 0.00 C ATOM 245 CG GLN A 15 -20.692 11.887 -10.503 1.00 0.00 C ATOM 246 CD GLN A 15 -21.756 12.592 -9.658 1.00 0.00 C ATOM 247 OE1 GLN A 15 -22.897 12.148 -9.549 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.404 13.705 -9.035 1.00 0.00 N ATOM 0 H GLN A 15 -18.640 10.970 -8.985 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.301 10.270 -8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -19.825 9.951 -10.898 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.563 9.920 -10.676 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -19.716 12.309 -10.265 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -20.882 12.096 -11.556 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.455 14.065 -9.132 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.082 14.203 -8.458 1.00 0.00 H new ATOM 257 N GLU A 16 -19.207 7.792 -8.754 1.00 0.00 N ATOM 258 CA GLU A 16 -18.916 6.363 -8.593 1.00 0.00 C ATOM 259 C GLU A 16 -17.417 6.209 -8.840 1.00 0.00 C ATOM 260 O GLU A 16 -16.924 6.753 -9.824 1.00 0.00 O ATOM 261 CB GLU A 16 -19.733 5.517 -9.598 1.00 0.00 C ATOM 262 CG GLU A 16 -19.337 4.036 -9.634 1.00 0.00 C ATOM 263 CD GLU A 16 -20.195 3.244 -10.635 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.268 2.729 -10.247 1.00 0.00 O ATOM 265 OE2 GLU A 16 -19.798 3.124 -11.816 1.00 0.00 O ATOM 0 H GLU A 16 -18.356 8.329 -8.923 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.191 6.011 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.791 5.594 -9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.612 5.939 -10.596 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.285 3.947 -9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.447 3.605 -8.639 1.00 0.00 H new ATOM 272 N HIS A 17 -16.677 5.481 -8.004 1.00 0.00 N ATOM 273 CA HIS A 17 -15.250 5.221 -8.191 1.00 0.00 C ATOM 274 C HIS A 17 -14.898 3.839 -7.635 1.00 0.00 C ATOM 275 O HIS A 17 -15.678 3.268 -6.871 1.00 0.00 O ATOM 276 CB HIS A 17 -14.412 6.347 -7.562 1.00 0.00 C ATOM 277 CG HIS A 17 -14.137 6.204 -6.087 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.060 5.995 -5.085 1.00 0.00 N ATOM 279 CD2 HIS A 17 -12.904 6.287 -5.497 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.394 5.972 -3.917 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.074 6.154 -4.113 1.00 0.00 N ATOM 0 H HIS A 17 -17.059 5.048 -7.163 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.013 5.213 -9.255 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.459 6.404 -8.088 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.925 7.294 -7.728 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.066 5.879 -5.207 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.964 6.430 -6.010 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.856 5.827 -2.951 1.00 0.00 H new ATOM 289 N VAL A 18 -13.755 3.283 -8.035 1.00 0.00 N ATOM 290 CA VAL A 18 -13.317 1.954 -7.622 1.00 0.00 C ATOM 291 C VAL A 18 -13.112 1.953 -6.103 1.00 0.00 C ATOM 292 O VAL A 18 -12.553 2.896 -5.540 1.00 0.00 O ATOM 293 CB VAL A 18 -12.055 1.546 -8.414 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.567 0.147 -8.022 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.326 1.541 -9.931 1.00 0.00 C ATOM 0 H VAL A 18 -13.101 3.750 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.073 1.203 -7.849 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.291 2.284 -8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.678 -0.104 -8.601 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.325 0.131 -6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.351 -0.582 -8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.419 1.250 -10.462 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.122 0.831 -10.156 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.629 2.538 -10.250 1.00 0.00 H new ATOM 305 N GLN A 19 -13.584 0.895 -5.439 1.00 0.00 N ATOM 306 CA GLN A 19 -13.457 0.726 -3.998 1.00 0.00 C ATOM 307 C GLN A 19 -11.970 0.693 -3.606 1.00 0.00 C ATOM 308 O GLN A 19 -11.153 0.100 -4.316 1.00 0.00 O ATOM 309 CB GLN A 19 -14.194 -0.567 -3.607 1.00 0.00 C ATOM 310 CG GLN A 19 -14.381 -0.740 -2.094 1.00 0.00 C ATOM 311 CD GLN A 19 -15.112 -2.047 -1.779 1.00 0.00 C ATOM 312 OE1 GLN A 19 -14.496 -3.097 -1.614 1.00 0.00 O ATOM 313 NE2 GLN A 19 -16.434 -2.026 -1.699 1.00 0.00 N ATOM 0 H GLN A 19 -14.071 0.124 -5.897 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.906 1.561 -3.460 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.172 -0.576 -4.088 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.640 -1.422 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.409 -0.734 -1.601 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.946 0.102 -1.695 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.939 -1.151 -1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.947 -2.885 -1.499 1.00 0.00 H new ATOM 322 N GLY A 20 -11.626 1.283 -2.456 1.00 0.00 N ATOM 323 CA GLY A 20 -10.269 1.243 -1.917 1.00 0.00 C ATOM 324 C GLY A 20 -9.305 2.113 -2.726 1.00 0.00 C ATOM 325 O GLY A 20 -8.212 1.658 -3.071 1.00 0.00 O ATOM 0 H GLY A 20 -12.284 1.802 -1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.280 1.581 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.911 0.213 -1.912 1.00 0.00 H new ATOM 329 N ALA A 21 -9.713 3.343 -3.053 1.00 0.00 N ATOM 330 CA ALA A 21 -8.949 4.297 -3.852 1.00 0.00 C ATOM 331 C ALA A 21 -9.050 5.704 -3.242 1.00 0.00 C ATOM 332 O ALA A 21 -9.744 5.917 -2.243 1.00 0.00 O ATOM 333 CB ALA A 21 -9.487 4.275 -5.290 1.00 0.00 C ATOM 0 H ALA A 21 -10.617 3.712 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.895 4.019 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.926 4.983 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.377 3.273 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.541 4.553 -5.288 1.00 0.00 H new ATOM 339 N ILE A 22 -8.372 6.665 -3.867 1.00 0.00 N ATOM 340 CA ILE A 22 -8.417 8.097 -3.571 1.00 0.00 C ATOM 341 C ILE A 22 -8.661 8.823 -4.906 1.00 0.00 C ATOM 342 O ILE A 22 -8.680 8.177 -5.957 1.00 0.00 O ATOM 343 CB ILE A 22 -7.113 8.497 -2.826 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.211 9.874 -2.131 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.882 8.434 -3.748 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.993 10.207 -1.260 1.00 0.00 C ATOM 0 H ILE A 22 -7.739 6.453 -4.639 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.227 8.381 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.984 7.755 -2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.328 10.648 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.108 9.897 -1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.992 8.721 -3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.761 7.418 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.019 9.118 -4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.129 11.187 -0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.887 9.454 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.095 10.217 -1.878 1.00 0.00 H new ATOM 358 N ASN A 23 -8.821 10.149 -4.902 1.00 0.00 N ATOM 359 CA ASN A 23 -8.930 10.961 -6.112 1.00 0.00 C ATOM 360 C ASN A 23 -7.965 12.133 -6.016 1.00 0.00 C ATOM 361 O ASN A 23 -7.815 12.726 -4.946 1.00 0.00 O ATOM 362 CB ASN A 23 -10.372 11.437 -6.321 1.00 0.00 C ATOM 363 CG ASN A 23 -10.486 12.678 -7.205 1.00 0.00 C ATOM 364 OD1 ASN A 23 -10.612 13.778 -6.681 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.439 12.557 -8.524 1.00 0.00 N ATOM 0 H ASN A 23 -8.879 10.695 -4.043 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.664 10.357 -6.980 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.951 10.629 -6.768 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.819 11.651 -5.350 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.508 13.386 -9.115 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.334 11.635 -8.948 1.00 0.00 H new ATOM 372 N ILE A 24 -7.316 12.450 -7.134 1.00 0.00 N ATOM 373 CA ILE A 24 -6.330 13.508 -7.293 1.00 0.00 C ATOM 374 C ILE A 24 -6.648 14.128 -8.666 1.00 0.00 C ATOM 375 O ILE A 24 -6.115 13.660 -9.672 1.00 0.00 O ATOM 376 CB ILE A 24 -4.888 12.953 -7.200 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.609 12.181 -5.891 1.00 0.00 C ATOM 378 CG2 ILE A 24 -3.866 14.086 -7.390 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.539 13.007 -4.605 1.00 0.00 C ATOM 0 H ILE A 24 -7.477 11.942 -8.004 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.382 14.256 -6.502 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.783 12.228 -8.007 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.387 11.427 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.665 11.649 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.856 13.681 -7.322 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.008 14.544 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.008 14.838 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.338 12.348 -3.760 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.740 13.744 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.489 13.518 -4.449 1.00 0.00 H new ATOM 391 N PRO A 25 -7.585 15.086 -8.764 1.00 0.00 N ATOM 392 CA PRO A 25 -8.079 15.559 -10.049 1.00 0.00 C ATOM 393 C PRO A 25 -6.971 16.089 -10.947 1.00 0.00 C ATOM 394 O PRO A 25 -6.083 16.793 -10.467 1.00 0.00 O ATOM 395 CB PRO A 25 -9.061 16.689 -9.730 1.00 0.00 C ATOM 396 CG PRO A 25 -9.517 16.392 -8.307 1.00 0.00 C ATOM 397 CD PRO A 25 -8.274 15.763 -7.679 1.00 0.00 C ATOM 0 HA PRO A 25 -8.541 14.734 -10.592 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.582 17.666 -9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.901 16.696 -10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.821 17.298 -7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.368 15.711 -8.289 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.638 16.523 -7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.546 15.062 -6.890 1.00 0.00 H new ATOM 405 N LEU A 26 -7.097 15.899 -12.264 1.00 0.00 N ATOM 406 CA LEU A 26 -6.234 16.556 -13.253 1.00 0.00 C ATOM 407 C LEU A 26 -6.241 18.091 -13.080 1.00 0.00 C ATOM 408 O LEU A 26 -5.266 18.757 -13.420 1.00 0.00 O ATOM 409 CB LEU A 26 -6.681 16.122 -14.664 1.00 0.00 C ATOM 410 CG LEU A 26 -5.848 16.699 -15.830 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.400 16.193 -15.808 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.490 16.305 -17.164 1.00 0.00 C ATOM 0 H LEU A 26 -7.800 15.285 -12.676 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.200 16.246 -13.102 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.646 15.034 -14.719 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.722 16.415 -14.803 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.832 17.783 -15.715 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.851 16.624 -16.645 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.925 16.489 -14.872 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.393 15.106 -15.891 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.901 16.713 -17.986 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.523 15.219 -17.245 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.504 16.703 -17.212 1.00 0.00 H new ATOM 424 N LYS A 27 -7.313 18.658 -12.508 1.00 0.00 N ATOM 425 CA LYS A 27 -7.418 20.085 -12.185 1.00 0.00 C ATOM 426 C LYS A 27 -6.464 20.532 -11.068 1.00 0.00 C ATOM 427 O LYS A 27 -6.170 21.724 -10.992 1.00 0.00 O ATOM 428 CB LYS A 27 -8.862 20.434 -11.772 1.00 0.00 C ATOM 429 CG LYS A 27 -9.950 20.056 -12.793 1.00 0.00 C ATOM 430 CD LYS A 27 -9.771 20.649 -14.201 1.00 0.00 C ATOM 431 CE LYS A 27 -9.767 22.186 -14.186 1.00 0.00 C ATOM 432 NZ LYS A 27 -9.656 22.762 -15.549 1.00 0.00 N ATOM 0 H LYS A 27 -8.145 18.127 -12.253 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.133 20.618 -13.092 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.083 19.934 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.919 21.506 -11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.984 18.970 -12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.916 20.376 -12.403 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.836 20.289 -14.629 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.574 20.295 -14.847 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.682 22.545 -13.716 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.936 22.539 -13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.657 23.800 -15.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.770 22.442 -15.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.463 22.448 -16.125 1.00 0.00 H new ATOM 446 N GLU A 28 -5.996 19.627 -10.200 1.00 0.00 N ATOM 447 CA GLU A 28 -5.268 19.977 -8.973 1.00 0.00 C ATOM 448 C GLU A 28 -3.971 19.177 -8.802 1.00 0.00 C ATOM 449 O GLU A 28 -3.173 19.485 -7.919 1.00 0.00 O ATOM 450 CB GLU A 28 -6.159 19.743 -7.740 1.00 0.00 C ATOM 451 CG GLU A 28 -7.529 20.438 -7.786 1.00 0.00 C ATOM 452 CD GLU A 28 -8.149 20.586 -6.385 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.025 19.657 -5.557 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.774 21.636 -6.107 1.00 0.00 O ATOM 0 H GLU A 28 -6.113 18.622 -10.330 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.004 21.031 -9.062 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.316 18.671 -7.623 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.624 20.086 -6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.421 21.423 -8.240 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.204 19.866 -8.422 1.00 0.00 H new ATOM 461 N VAL A 29 -3.754 18.150 -9.626 1.00 0.00 N ATOM 462 CA VAL A 29 -2.700 17.146 -9.507 1.00 0.00 C ATOM 463 C VAL A 29 -1.319 17.745 -9.212 1.00 0.00 C ATOM 464 O VAL A 29 -0.637 17.245 -8.319 1.00 0.00 O ATOM 465 CB VAL A 29 -2.760 16.243 -10.763 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.553 17.030 -12.064 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.792 15.055 -10.726 1.00 0.00 C ATOM 0 H VAL A 29 -4.345 17.989 -10.441 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.875 16.525 -8.628 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.772 15.839 -10.747 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.605 16.349 -12.913 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.331 17.788 -12.159 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.576 17.513 -12.045 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.896 14.472 -11.641 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.769 15.422 -10.643 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.022 14.425 -9.867 1.00 0.00 H new ATOM 477 N LYS A 30 -0.929 18.848 -9.867 1.00 0.00 N ATOM 478 CA LYS A 30 0.383 19.479 -9.674 1.00 0.00 C ATOM 479 C LYS A 30 0.638 19.897 -8.222 1.00 0.00 C ATOM 480 O LYS A 30 1.795 19.978 -7.814 1.00 0.00 O ATOM 481 CB LYS A 30 0.518 20.712 -10.588 1.00 0.00 C ATOM 482 CG LYS A 30 0.629 20.411 -12.092 1.00 0.00 C ATOM 483 CD LYS A 30 1.900 19.619 -12.446 1.00 0.00 C ATOM 484 CE LYS A 30 2.183 19.589 -13.957 1.00 0.00 C ATOM 485 NZ LYS A 30 2.614 20.907 -14.496 1.00 0.00 N ATOM 0 H LYS A 30 -1.517 19.329 -10.548 1.00 0.00 H new ATOM 0 HA LYS A 30 1.129 18.728 -9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.345 21.358 -10.427 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.400 21.275 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.247 19.846 -12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.623 21.349 -12.648 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.753 20.060 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.800 18.597 -12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.957 18.849 -14.161 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.285 19.264 -14.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.903 20.798 -15.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.824 21.581 -14.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.416 21.264 -13.939 1.00 0.00 H new ATOM 499 N GLU A 31 -0.414 20.144 -7.441 1.00 0.00 N ATOM 500 CA GLU A 31 -0.341 20.628 -6.066 1.00 0.00 C ATOM 501 C GLU A 31 -0.885 19.578 -5.083 1.00 0.00 C ATOM 502 O GLU A 31 -1.009 19.865 -3.890 1.00 0.00 O ATOM 503 CB GLU A 31 -1.146 21.938 -5.955 1.00 0.00 C ATOM 504 CG GLU A 31 -0.680 23.065 -6.894 1.00 0.00 C ATOM 505 CD GLU A 31 0.796 23.462 -6.695 1.00 0.00 C ATOM 506 OE1 GLU A 31 1.213 23.752 -5.550 1.00 0.00 O ATOM 507 OE2 GLU A 31 1.547 23.533 -7.693 1.00 0.00 O ATOM 0 H GLU A 31 -1.373 20.007 -7.761 1.00 0.00 H new ATOM 0 HA GLU A 31 0.701 20.813 -5.806 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.194 21.722 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.091 22.295 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.827 22.750 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.308 23.942 -6.736 1.00 0.00 H new ATOM 514 N ARG A 32 -1.224 18.370 -5.557 1.00 0.00 N ATOM 515 CA ARG A 32 -1.989 17.395 -4.775 1.00 0.00 C ATOM 516 C ARG A 32 -1.445 15.968 -4.894 1.00 0.00 C ATOM 517 O ARG A 32 -1.630 15.193 -3.959 1.00 0.00 O ATOM 518 CB ARG A 32 -3.465 17.530 -5.212 1.00 0.00 C ATOM 519 CG ARG A 32 -4.478 16.794 -4.321 1.00 0.00 C ATOM 520 CD ARG A 32 -5.919 17.059 -4.795 1.00 0.00 C ATOM 521 NE ARG A 32 -6.864 16.023 -4.330 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.199 16.136 -4.248 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.823 17.281 -4.496 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.920 15.067 -3.934 1.00 0.00 N ATOM 0 H ARG A 32 -0.975 18.045 -6.491 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.896 17.608 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.726 18.588 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.562 17.156 -6.231 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.275 15.723 -4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.365 17.121 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.245 18.034 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.938 17.102 -5.884 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.461 15.131 -4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.286 18.108 -4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.839 17.334 -4.425 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.459 14.174 -3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.935 15.138 -3.868 1.00 0.00 H new ATOM 538 N ILE A 33 -0.746 15.600 -5.976 1.00 0.00 N ATOM 539 CA ILE A 33 -0.271 14.225 -6.158 1.00 0.00 C ATOM 540 C ILE A 33 0.715 13.808 -5.066 1.00 0.00 C ATOM 541 O ILE A 33 0.667 12.661 -4.621 1.00 0.00 O ATOM 542 CB ILE A 33 0.269 14.005 -7.594 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.559 12.516 -7.896 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.512 14.850 -7.940 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.684 11.617 -7.877 1.00 0.00 C ATOM 0 H ILE A 33 -0.498 16.234 -6.735 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.125 13.557 -6.045 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.544 14.349 -8.233 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.033 12.441 -8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.276 12.141 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.825 14.636 -8.962 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.269 15.909 -7.849 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.322 14.604 -7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.394 10.590 -8.098 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.148 11.659 -6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.395 11.963 -8.628 1.00 0.00 H new ATOM 557 N ALA A 34 1.550 14.730 -4.572 1.00 0.00 N ATOM 558 CA ALA A 34 2.520 14.432 -3.524 1.00 0.00 C ATOM 559 C ALA A 34 1.848 13.907 -2.247 1.00 0.00 C ATOM 560 O ALA A 34 2.446 13.104 -1.532 1.00 0.00 O ATOM 561 CB ALA A 34 3.353 15.682 -3.222 1.00 0.00 C ATOM 0 H ALA A 34 1.569 15.699 -4.890 1.00 0.00 H new ATOM 0 HA ALA A 34 3.174 13.639 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.077 15.456 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.880 15.995 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.696 16.485 -2.888 1.00 0.00 H new ATOM 567 N THR A 35 0.610 14.321 -1.964 1.00 0.00 N ATOM 568 CA THR A 35 -0.142 13.865 -0.802 1.00 0.00 C ATOM 569 C THR A 35 -0.469 12.366 -0.921 1.00 0.00 C ATOM 570 O THR A 35 -0.441 11.653 0.084 1.00 0.00 O ATOM 571 CB THR A 35 -1.414 14.729 -0.668 1.00 0.00 C ATOM 572 OG1 THR A 35 -1.092 16.101 -0.848 1.00 0.00 O ATOM 573 CG2 THR A 35 -2.079 14.568 0.703 1.00 0.00 C ATOM 0 H THR A 35 0.101 14.988 -2.543 1.00 0.00 H new ATOM 0 HA THR A 35 0.455 13.981 0.102 1.00 0.00 H new ATOM 0 HB THR A 35 -2.109 14.390 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.905 16.642 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.970 15.195 0.751 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.360 13.525 0.851 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.381 14.869 1.484 1.00 0.00 H new ATOM 581 N ALA A 36 -0.747 11.873 -2.136 1.00 0.00 N ATOM 582 CA ALA A 36 -1.064 10.468 -2.378 1.00 0.00 C ATOM 583 C ALA A 36 0.188 9.639 -2.684 1.00 0.00 C ATOM 584 O ALA A 36 0.179 8.430 -2.453 1.00 0.00 O ATOM 585 CB ALA A 36 -2.057 10.361 -3.539 1.00 0.00 C ATOM 0 H ALA A 36 -0.757 12.445 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.507 10.064 -1.468 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.294 9.312 -3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.970 10.901 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.615 10.793 -4.437 1.00 0.00 H new ATOM 591 N VAL A 37 1.253 10.261 -3.196 1.00 0.00 N ATOM 592 CA VAL A 37 2.451 9.578 -3.670 1.00 0.00 C ATOM 593 C VAL A 37 3.675 10.368 -3.171 1.00 0.00 C ATOM 594 O VAL A 37 4.255 11.160 -3.922 1.00 0.00 O ATOM 595 CB VAL A 37 2.413 9.379 -5.206 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.348 8.221 -5.579 1.00 0.00 C ATOM 597 CG2 VAL A 37 1.028 9.044 -5.782 1.00 0.00 C ATOM 0 H VAL A 37 1.304 11.275 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 37 2.512 8.568 -3.265 1.00 0.00 H new ATOM 0 HB VAL A 37 2.716 10.336 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.329 8.072 -6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.364 8.457 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.016 7.310 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.103 8.923 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.664 8.118 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.334 9.853 -5.555 1.00 0.00 H new ATOM 607 N PRO A 38 4.049 10.215 -1.886 1.00 0.00 N ATOM 608 CA PRO A 38 5.084 11.029 -1.253 1.00 0.00 C ATOM 609 C PRO A 38 6.512 10.659 -1.688 1.00 0.00 C ATOM 610 O PRO A 38 7.449 11.385 -1.349 1.00 0.00 O ATOM 611 CB PRO A 38 4.882 10.834 0.254 1.00 0.00 C ATOM 612 CG PRO A 38 4.296 9.428 0.352 1.00 0.00 C ATOM 613 CD PRO A 38 3.429 9.336 -0.901 1.00 0.00 C ATOM 0 HA PRO A 38 4.984 12.072 -1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.822 10.917 0.800 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.206 11.581 0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.074 8.665 0.362 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.709 9.297 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.382 8.311 -1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.406 9.647 -0.691 1.00 0.00 H new ATOM 621 N ASP A 39 6.705 9.564 -2.433 1.00 0.00 N ATOM 622 CA ASP A 39 7.997 9.164 -2.986 1.00 0.00 C ATOM 623 C ASP A 39 7.769 8.612 -4.390 1.00 0.00 C ATOM 624 O ASP A 39 6.833 7.840 -4.617 1.00 0.00 O ATOM 625 CB ASP A 39 8.676 8.119 -2.095 1.00 0.00 C ATOM 626 CG ASP A 39 10.043 7.737 -2.678 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.076 6.942 -3.642 1.00 0.00 O ATOM 628 OD2 ASP A 39 11.078 8.236 -2.180 1.00 0.00 O ATOM 0 H ASP A 39 5.950 8.921 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 39 8.660 10.028 -3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.800 8.514 -1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.046 7.233 -2.015 1.00 0.00 H new ATOM 633 N LYS A 40 8.607 9.031 -5.341 1.00 0.00 N ATOM 634 CA LYS A 40 8.385 8.783 -6.763 1.00 0.00 C ATOM 635 C LYS A 40 8.489 7.310 -7.162 1.00 0.00 C ATOM 636 O LYS A 40 8.027 6.970 -8.252 1.00 0.00 O ATOM 637 CB LYS A 40 9.317 9.666 -7.612 1.00 0.00 C ATOM 638 CG LYS A 40 9.042 11.163 -7.383 1.00 0.00 C ATOM 639 CD LYS A 40 9.922 12.056 -8.265 1.00 0.00 C ATOM 640 CE LYS A 40 9.687 13.528 -7.893 1.00 0.00 C ATOM 641 NZ LYS A 40 10.494 14.455 -8.722 1.00 0.00 N ATOM 0 H LYS A 40 9.461 9.553 -5.143 1.00 0.00 H new ATOM 0 HA LYS A 40 7.350 9.058 -6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.355 9.444 -7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.183 9.428 -8.667 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.993 11.373 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.216 11.406 -6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.972 11.798 -8.130 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.687 11.893 -9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.630 13.766 -8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.932 13.678 -6.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.327 15.433 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.503 14.226 -8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.219 14.357 -9.720 1.00 0.00 H new ATOM 655 N ASN A 41 9.076 6.437 -6.333 1.00 0.00 N ATOM 656 CA ASN A 41 9.179 5.014 -6.660 1.00 0.00 C ATOM 657 C ASN A 41 7.837 4.282 -6.510 1.00 0.00 C ATOM 658 O ASN A 41 7.694 3.179 -7.037 1.00 0.00 O ATOM 659 CB ASN A 41 10.277 4.304 -5.840 1.00 0.00 C ATOM 660 CG ASN A 41 9.746 3.553 -4.617 1.00 0.00 C ATOM 661 OD1 ASN A 41 9.596 2.335 -4.630 1.00 0.00 O ATOM 662 ND2 ASN A 41 9.452 4.257 -3.541 1.00 0.00 N ATOM 0 H ASN A 41 9.485 6.693 -5.434 1.00 0.00 H new ATOM 0 HA ASN A 41 9.466 4.970 -7.711 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.803 3.601 -6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.008 5.043 -5.512 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.096 3.790 -2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 41 9.581 5.269 -3.543 1.00 0.00 H new ATOM 669 N ASP A 42 6.877 4.834 -5.761 1.00 0.00 N ATOM 670 CA ASP A 42 5.632 4.127 -5.457 1.00 0.00 C ATOM 671 C ASP A 42 4.718 4.078 -6.689 1.00 0.00 C ATOM 672 O ASP A 42 4.733 5.001 -7.508 1.00 0.00 O ATOM 673 CB ASP A 42 4.928 4.782 -4.270 1.00 0.00 C ATOM 674 CG ASP A 42 3.860 3.840 -3.709 1.00 0.00 C ATOM 675 OD1 ASP A 42 4.252 2.868 -3.025 1.00 0.00 O ATOM 676 OD2 ASP A 42 2.658 4.062 -3.955 1.00 0.00 O ATOM 0 H ASP A 42 6.940 5.768 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 42 5.872 3.099 -5.184 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.655 5.024 -3.494 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.469 5.720 -4.581 1.00 0.00 H new ATOM 681 N THR A 43 3.948 3.000 -6.852 1.00 0.00 N ATOM 682 CA THR A 43 3.171 2.758 -8.069 1.00 0.00 C ATOM 683 C THR A 43 1.897 3.616 -8.061 1.00 0.00 C ATOM 684 O THR A 43 1.201 3.694 -7.046 1.00 0.00 O ATOM 685 CB THR A 43 2.842 1.257 -8.207 1.00 0.00 C ATOM 686 OG1 THR A 43 3.934 0.444 -7.818 1.00 0.00 O ATOM 687 CG2 THR A 43 2.457 0.875 -9.640 1.00 0.00 C ATOM 0 H THR A 43 3.846 2.272 -6.145 1.00 0.00 H new ATOM 0 HA THR A 43 3.765 3.047 -8.936 1.00 0.00 H new ATOM 0 HB THR A 43 1.993 1.084 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.953 0.367 -6.841 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.235 -0.191 -9.685 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.577 1.442 -9.944 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.285 1.102 -10.312 1.00 0.00 H new ATOM 695 N VAL A 44 1.546 4.207 -9.205 1.00 0.00 N ATOM 696 CA VAL A 44 0.454 5.168 -9.329 1.00 0.00 C ATOM 697 C VAL A 44 -0.519 4.602 -10.364 1.00 0.00 C ATOM 698 O VAL A 44 -0.336 4.786 -11.569 1.00 0.00 O ATOM 699 CB VAL A 44 0.995 6.572 -9.697 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.063 7.653 -9.449 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.264 6.956 -8.921 1.00 0.00 C ATOM 0 H VAL A 44 2.024 4.026 -10.088 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.071 5.307 -8.384 1.00 0.00 H new ATOM 0 HB VAL A 44 1.245 6.515 -10.756 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.344 8.628 -9.716 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.943 7.448 -10.059 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.344 7.653 -8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.590 7.950 -9.226 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.051 6.956 -7.852 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.053 6.234 -9.133 1.00 0.00 H new ATOM 711 N LYS A 45 -1.521 3.847 -9.906 1.00 0.00 N ATOM 712 CA LYS A 45 -2.522 3.260 -10.790 1.00 0.00 C ATOM 713 C LYS A 45 -3.590 4.318 -11.036 1.00 0.00 C ATOM 714 O LYS A 45 -4.498 4.478 -10.214 1.00 0.00 O ATOM 715 CB LYS A 45 -3.077 1.958 -10.191 1.00 0.00 C ATOM 716 CG LYS A 45 -2.018 0.847 -10.271 1.00 0.00 C ATOM 717 CD LYS A 45 -2.560 -0.473 -9.719 1.00 0.00 C ATOM 718 CE LYS A 45 -1.501 -1.576 -9.837 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.963 -2.850 -9.239 1.00 0.00 N ATOM 0 H LYS A 45 -1.658 3.629 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.090 2.973 -11.749 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.367 2.121 -9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.975 1.655 -10.729 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.707 0.711 -11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.133 1.143 -9.709 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.849 -0.347 -8.675 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.458 -0.762 -10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.258 -1.735 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.584 -1.254 -9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.163 -3.511 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.346 -2.669 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.705 -3.266 -9.838 1.00 0.00 H new ATOM 733 N VAL A 46 -3.442 5.085 -12.116 1.00 0.00 N ATOM 734 CA VAL A 46 -4.368 6.156 -12.455 1.00 0.00 C ATOM 735 C VAL A 46 -5.567 5.583 -13.212 1.00 0.00 C ATOM 736 O VAL A 46 -5.407 4.690 -14.051 1.00 0.00 O ATOM 737 CB VAL A 46 -3.664 7.309 -13.208 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.730 8.074 -12.262 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.842 6.879 -14.433 1.00 0.00 C ATOM 0 H VAL A 46 -2.674 4.978 -12.779 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.745 6.604 -11.536 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.480 7.933 -13.571 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.242 8.882 -12.807 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.309 8.490 -11.437 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.974 7.394 -11.868 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.388 7.757 -14.893 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.060 6.187 -14.122 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.495 6.388 -15.155 1.00 0.00 H new ATOM 749 N TYR A 47 -6.765 6.111 -12.967 1.00 0.00 N ATOM 750 CA TYR A 47 -7.956 5.817 -13.758 1.00 0.00 C ATOM 751 C TYR A 47 -8.893 7.023 -13.735 1.00 0.00 C ATOM 752 O TYR A 47 -8.718 7.945 -12.937 1.00 0.00 O ATOM 753 CB TYR A 47 -8.652 4.540 -13.264 1.00 0.00 C ATOM 754 CG TYR A 47 -9.350 4.651 -11.924 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.625 4.475 -10.729 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.732 4.922 -11.880 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.279 4.568 -9.489 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.389 5.022 -10.644 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.666 4.840 -9.446 1.00 0.00 C ATOM 760 OH TYR A 47 -11.320 4.931 -8.257 1.00 0.00 O ATOM 0 H TYR A 47 -6.937 6.764 -12.202 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.661 5.629 -14.791 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.385 4.235 -14.011 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.910 3.744 -13.202 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.566 4.268 -10.766 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.286 5.053 -12.798 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.725 4.432 -8.572 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.447 5.238 -10.610 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.832 5.537 -7.661 1.00 0.00 H new ATOM 770 N CYS A 48 -9.869 7.043 -14.637 1.00 0.00 N ATOM 771 CA CYS A 48 -10.931 8.036 -14.691 1.00 0.00 C ATOM 772 C CYS A 48 -12.087 7.421 -15.486 1.00 0.00 C ATOM 773 O CYS A 48 -12.139 6.201 -15.644 1.00 0.00 O ATOM 774 CB CYS A 48 -10.398 9.353 -15.294 1.00 0.00 C ATOM 775 SG CYS A 48 -9.784 9.114 -16.977 1.00 0.00 S ATOM 0 H CYS A 48 -9.943 6.343 -15.375 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.296 8.299 -13.698 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.192 10.099 -15.299 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.597 9.743 -14.666 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.459 9.865 -17.796 1.00 0.00 H new ATOM 781 N ASN A 49 -13.006 8.241 -16.005 1.00 0.00 N ATOM 782 CA ASN A 49 -14.177 7.760 -16.740 1.00 0.00 C ATOM 783 C ASN A 49 -13.762 6.904 -17.944 1.00 0.00 C ATOM 784 O ASN A 49 -14.281 5.802 -18.111 1.00 0.00 O ATOM 785 CB ASN A 49 -15.036 8.959 -17.195 1.00 0.00 C ATOM 786 CG ASN A 49 -16.441 8.570 -17.675 1.00 0.00 C ATOM 787 OD1 ASN A 49 -17.390 9.321 -17.473 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.631 7.421 -18.303 1.00 0.00 N ATOM 0 H ASN A 49 -12.958 9.257 -15.927 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.768 7.130 -16.076 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.127 9.663 -16.368 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.518 9.479 -18.001 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.565 7.161 -18.618 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.843 6.796 -18.472 1.00 0.00 H new ATOM 795 N ALA A 50 -12.863 7.420 -18.787 1.00 0.00 N ATOM 796 CA ALA A 50 -12.516 6.842 -20.091 1.00 0.00 C ATOM 797 C ALA A 50 -11.011 6.947 -20.395 1.00 0.00 C ATOM 798 O ALA A 50 -10.601 6.983 -21.557 1.00 0.00 O ATOM 799 CB ALA A 50 -13.365 7.529 -21.173 1.00 0.00 C ATOM 0 H ALA A 50 -12.343 8.272 -18.578 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.738 5.775 -20.076 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.119 7.110 -22.149 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.422 7.366 -20.964 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.157 8.599 -21.174 1.00 0.00 H new ATOM 805 N GLY A 51 -10.172 7.062 -19.364 1.00 0.00 N ATOM 806 CA GLY A 51 -8.716 7.067 -19.487 1.00 0.00 C ATOM 807 C GLY A 51 -8.109 8.401 -19.945 1.00 0.00 C ATOM 808 O GLY A 51 -6.884 8.500 -19.992 1.00 0.00 O ATOM 0 H GLY A 51 -10.494 7.156 -18.401 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.284 6.800 -18.523 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.423 6.290 -20.193 1.00 0.00 H new ATOM 812 N ARG A 52 -8.899 9.438 -20.273 1.00 0.00 N ATOM 813 CA ARG A 52 -8.343 10.716 -20.758 1.00 0.00 C ATOM 814 C ARG A 52 -7.599 11.435 -19.662 1.00 0.00 C ATOM 815 O ARG A 52 -6.423 11.736 -19.849 1.00 0.00 O ATOM 816 CB ARG A 52 -9.407 11.645 -21.372 1.00 0.00 C ATOM 817 CG ARG A 52 -10.276 11.066 -22.506 1.00 0.00 C ATOM 818 CD ARG A 52 -9.502 10.348 -23.622 1.00 0.00 C ATOM 819 NE ARG A 52 -9.325 8.914 -23.326 1.00 0.00 N ATOM 820 CZ ARG A 52 -8.322 8.121 -23.715 1.00 0.00 C ATOM 821 NH1 ARG A 52 -7.329 8.583 -24.470 1.00 0.00 N ATOM 822 NH2 ARG A 52 -8.340 6.852 -23.325 1.00 0.00 N ATOM 0 H ARG A 52 -9.917 9.419 -20.212 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.647 10.456 -21.555 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.070 11.974 -20.572 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.902 12.533 -21.753 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.991 10.366 -22.073 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.853 11.877 -22.950 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.035 10.462 -24.566 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.526 10.817 -23.748 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.052 8.477 -22.759 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.323 9.560 -24.763 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.573 7.960 -24.756 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.105 6.508 -22.745 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.589 6.222 -23.605 1.00 0.00 H new ATOM 836 N GLN A 53 -8.240 11.655 -18.515 1.00 0.00 N ATOM 837 CA GLN A 53 -7.575 12.303 -17.390 1.00 0.00 C ATOM 838 C GLN A 53 -6.377 11.446 -16.948 1.00 0.00 C ATOM 839 O GLN A 53 -5.366 12.003 -16.537 1.00 0.00 O ATOM 840 CB GLN A 53 -8.550 12.602 -16.230 1.00 0.00 C ATOM 841 CG GLN A 53 -9.528 13.779 -16.442 1.00 0.00 C ATOM 842 CD GLN A 53 -10.368 13.674 -17.717 1.00 0.00 C ATOM 843 OE1 GLN A 53 -10.195 14.444 -18.657 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.269 12.705 -17.798 1.00 0.00 N ATOM 0 H GLN A 53 -9.211 11.396 -18.343 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.204 13.276 -17.712 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.134 11.703 -16.034 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.963 12.802 -15.333 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.197 13.840 -15.584 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.960 14.709 -16.470 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.406 12.069 -17.012 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.825 12.595 -18.646 1.00 0.00 H new ATOM 853 N SER A 54 -6.450 10.117 -17.083 1.00 0.00 N ATOM 854 CA SER A 54 -5.366 9.195 -16.749 1.00 0.00 C ATOM 855 C SER A 54 -4.159 9.356 -17.670 1.00 0.00 C ATOM 856 O SER A 54 -3.043 9.475 -17.173 1.00 0.00 O ATOM 857 CB SER A 54 -5.885 7.758 -16.797 1.00 0.00 C ATOM 858 OG SER A 54 -7.137 7.691 -16.144 1.00 0.00 O ATOM 0 H SER A 54 -7.283 9.646 -17.435 1.00 0.00 H new ATOM 0 HA SER A 54 -5.027 9.433 -15.741 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.984 7.429 -17.832 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.174 7.086 -16.315 1.00 0.00 H new ATOM 0 HG SER A 54 -7.823 8.105 -16.708 1.00 0.00 H new ATOM 864 N GLY A 55 -4.356 9.397 -18.990 1.00 0.00 N ATOM 865 CA GLY A 55 -3.264 9.585 -19.939 1.00 0.00 C ATOM 866 C GLY A 55 -2.672 10.982 -19.784 1.00 0.00 C ATOM 867 O GLY A 55 -1.454 11.141 -19.707 1.00 0.00 O ATOM 0 H GLY A 55 -5.273 9.301 -19.426 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.492 8.834 -19.771 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.628 9.446 -20.957 1.00 0.00 H new ATOM 871 N GLN A 56 -3.543 11.985 -19.650 1.00 0.00 N ATOM 872 CA GLN A 56 -3.170 13.365 -19.384 1.00 0.00 C ATOM 873 C GLN A 56 -2.308 13.466 -18.115 1.00 0.00 C ATOM 874 O GLN A 56 -1.257 14.109 -18.135 1.00 0.00 O ATOM 875 CB GLN A 56 -4.458 14.204 -19.285 1.00 0.00 C ATOM 876 CG GLN A 56 -4.985 14.657 -20.654 1.00 0.00 C ATOM 877 CD GLN A 56 -4.036 15.627 -21.366 1.00 0.00 C ATOM 878 OE1 GLN A 56 -3.723 16.703 -20.863 1.00 0.00 O ATOM 879 NE2 GLN A 56 -3.547 15.271 -22.543 1.00 0.00 N ATOM 0 H GLN A 56 -4.551 11.850 -19.726 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.558 13.755 -20.197 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.228 13.620 -18.781 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.267 15.081 -18.667 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.143 13.782 -21.285 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.956 15.136 -20.524 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.811 14.376 -22.955 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.906 15.891 -23.038 1.00 0.00 H new ATOM 888 N ALA A 57 -2.710 12.800 -17.027 1.00 0.00 N ATOM 889 CA ALA A 57 -1.942 12.760 -15.791 1.00 0.00 C ATOM 890 C ALA A 57 -0.648 11.959 -15.968 1.00 0.00 C ATOM 891 O ALA A 57 0.382 12.357 -15.432 1.00 0.00 O ATOM 892 CB ALA A 57 -2.795 12.183 -14.654 1.00 0.00 C ATOM 0 H ALA A 57 -3.582 12.273 -16.985 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.662 13.780 -15.529 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.209 12.159 -13.736 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.675 12.809 -14.506 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.108 11.171 -14.911 1.00 0.00 H new ATOM 898 N LYS A 58 -0.643 10.853 -16.720 1.00 0.00 N ATOM 899 CA LYS A 58 0.586 10.087 -16.903 1.00 0.00 C ATOM 900 C LYS A 58 1.654 10.943 -17.571 1.00 0.00 C ATOM 901 O LYS A 58 2.809 10.848 -17.158 1.00 0.00 O ATOM 902 CB LYS A 58 0.350 8.761 -17.653 1.00 0.00 C ATOM 903 CG LYS A 58 1.676 7.982 -17.695 1.00 0.00 C ATOM 904 CD LYS A 58 1.589 6.560 -18.255 1.00 0.00 C ATOM 905 CE LYS A 58 2.910 5.795 -18.033 1.00 0.00 C ATOM 906 NZ LYS A 58 4.114 6.499 -18.556 1.00 0.00 N ATOM 0 H LYS A 58 -1.460 10.477 -17.201 1.00 0.00 H new ATOM 0 HA LYS A 58 0.949 9.807 -15.914 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.419 8.174 -17.151 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.007 8.956 -18.664 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.390 8.547 -18.295 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.079 7.931 -16.684 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.770 6.026 -17.774 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.362 6.598 -19.320 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.040 5.618 -16.965 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.837 4.818 -18.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.945 5.881 -18.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.970 6.735 -19.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.269 7.372 -18.013 1.00 0.00 H new ATOM 920 N GLU A 59 1.304 11.776 -18.553 1.00 0.00 N ATOM 921 CA GLU A 59 2.288 12.598 -19.250 1.00 0.00 C ATOM 922 C GLU A 59 3.034 13.497 -18.259 1.00 0.00 C ATOM 923 O GLU A 59 4.266 13.455 -18.210 1.00 0.00 O ATOM 924 CB GLU A 59 1.615 13.428 -20.358 1.00 0.00 C ATOM 925 CG GLU A 59 1.193 12.595 -21.578 1.00 0.00 C ATOM 926 CD GLU A 59 2.398 12.079 -22.386 1.00 0.00 C ATOM 927 OE1 GLU A 59 2.937 12.831 -23.231 1.00 0.00 O ATOM 928 OE2 GLU A 59 2.810 10.912 -22.202 1.00 0.00 O ATOM 0 H GLU A 59 0.346 11.897 -18.882 1.00 0.00 H new ATOM 0 HA GLU A 59 3.018 11.941 -19.723 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.737 13.925 -19.946 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.301 14.211 -20.682 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.593 11.748 -21.245 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.558 13.200 -22.225 1.00 0.00 H new ATOM 935 N ILE A 60 2.317 14.274 -17.436 1.00 0.00 N ATOM 936 CA ILE A 60 2.961 15.190 -16.506 1.00 0.00 C ATOM 937 C ILE A 60 3.689 14.413 -15.406 1.00 0.00 C ATOM 938 O ILE A 60 4.797 14.792 -15.040 1.00 0.00 O ATOM 939 CB ILE A 60 1.957 16.224 -15.949 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.972 15.601 -14.936 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.246 16.950 -17.109 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.202 16.470 -14.509 1.00 0.00 C ATOM 0 H ILE A 60 1.298 14.282 -17.401 1.00 0.00 H new ATOM 0 HA ILE A 60 3.716 15.763 -17.045 1.00 0.00 H new ATOM 0 HB ILE A 60 2.514 16.970 -15.383 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.577 14.681 -15.366 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.532 15.321 -14.044 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.541 17.676 -16.706 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.985 17.464 -17.724 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.709 16.223 -17.719 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.820 15.922 -13.798 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.171 17.381 -14.040 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.799 16.730 -15.383 1.00 0.00 H new ATOM 954 N LEU A 61 3.116 13.319 -14.892 1.00 0.00 N ATOM 955 CA LEU A 61 3.704 12.608 -13.762 1.00 0.00 C ATOM 956 C LEU A 61 4.971 11.868 -14.185 1.00 0.00 C ATOM 957 O LEU A 61 5.934 11.837 -13.417 1.00 0.00 O ATOM 958 CB LEU A 61 2.685 11.648 -13.130 1.00 0.00 C ATOM 959 CG LEU A 61 1.494 12.326 -12.422 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.583 11.251 -11.816 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.921 13.308 -11.332 1.00 0.00 C ATOM 0 H LEU A 61 2.249 12.911 -15.242 1.00 0.00 H new ATOM 0 HA LEU A 61 3.983 13.342 -13.006 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.298 10.991 -13.909 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.204 11.016 -12.409 1.00 0.00 H new ATOM 0 HG LEU A 61 0.962 12.905 -13.177 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.259 11.728 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.213 10.599 -12.607 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.147 10.661 -11.094 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.036 13.750 -10.874 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.498 12.780 -10.573 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.534 14.095 -11.771 1.00 0.00 H new ATOM 973 N SER A 62 5.011 11.326 -15.405 1.00 0.00 N ATOM 974 CA SER A 62 6.216 10.709 -15.945 1.00 0.00 C ATOM 975 C SER A 62 7.314 11.772 -16.093 1.00 0.00 C ATOM 976 O SER A 62 8.460 11.517 -15.726 1.00 0.00 O ATOM 977 CB SER A 62 5.926 10.020 -17.289 1.00 0.00 C ATOM 978 OG SER A 62 4.839 9.108 -17.193 1.00 0.00 O ATOM 0 H SER A 62 4.212 11.304 -16.039 1.00 0.00 H new ATOM 0 HA SER A 62 6.562 9.940 -15.254 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.701 10.775 -18.043 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.817 9.489 -17.625 1.00 0.00 H new ATOM 0 HG SER A 62 3.995 9.605 -17.183 1.00 0.00 H new ATOM 984 N GLU A 63 6.969 12.979 -16.563 1.00 0.00 N ATOM 985 CA GLU A 63 7.917 14.083 -16.705 1.00 0.00 C ATOM 986 C GLU A 63 8.413 14.564 -15.331 1.00 0.00 C ATOM 987 O GLU A 63 9.604 14.835 -15.163 1.00 0.00 O ATOM 988 CB GLU A 63 7.253 15.213 -17.512 1.00 0.00 C ATOM 989 CG GLU A 63 8.230 16.347 -17.850 1.00 0.00 C ATOM 990 CD GLU A 63 7.574 17.405 -18.756 1.00 0.00 C ATOM 991 OE1 GLU A 63 6.975 18.373 -18.236 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.674 17.296 -20.000 1.00 0.00 O ATOM 0 H GLU A 63 6.020 13.214 -16.855 1.00 0.00 H new ATOM 0 HA GLU A 63 8.799 13.743 -17.248 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.844 14.803 -18.435 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.415 15.617 -16.944 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.575 16.818 -16.930 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.109 15.936 -18.346 1.00 0.00 H new ATOM 999 N MET A 64 7.524 14.617 -14.332 1.00 0.00 N ATOM 1000 CA MET A 64 7.854 14.948 -12.944 1.00 0.00 C ATOM 1001 C MET A 64 8.740 13.874 -12.298 1.00 0.00 C ATOM 1002 O MET A 64 9.392 14.159 -11.292 1.00 0.00 O ATOM 1003 CB MET A 64 6.565 15.155 -12.127 1.00 0.00 C ATOM 1004 CG MET A 64 5.842 16.457 -12.506 1.00 0.00 C ATOM 1005 SD MET A 64 4.121 16.590 -11.934 1.00 0.00 S ATOM 1006 CE MET A 64 4.357 16.681 -10.138 1.00 0.00 C ATOM 0 H MET A 64 6.532 14.426 -14.472 1.00 0.00 H new ATOM 0 HA MET A 64 8.424 15.877 -12.948 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.896 14.310 -12.287 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.809 15.172 -11.065 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.407 17.297 -12.102 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.855 16.557 -13.591 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.387 16.766 -9.647 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.862 15.779 -9.791 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.964 17.553 -9.895 1.00 0.00 H new ATOM 1016 N GLY A 65 8.797 12.663 -12.859 1.00 0.00 N ATOM 1017 CA GLY A 65 9.754 11.631 -12.482 1.00 0.00 C ATOM 1018 C GLY A 65 9.121 10.436 -11.772 1.00 0.00 C ATOM 1019 O GLY A 65 9.861 9.592 -11.268 1.00 0.00 O ATOM 0 H GLY A 65 8.164 12.371 -13.603 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.268 11.280 -13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.511 12.070 -11.831 1.00 0.00 H new ATOM 1023 N TYR A 66 7.788 10.343 -11.699 1.00 0.00 N ATOM 1024 CA TYR A 66 7.122 9.137 -11.223 1.00 0.00 C ATOM 1025 C TYR A 66 7.281 8.064 -12.301 1.00 0.00 C ATOM 1026 O TYR A 66 6.545 8.039 -13.287 1.00 0.00 O ATOM 1027 CB TYR A 66 5.644 9.392 -10.897 1.00 0.00 C ATOM 1028 CG TYR A 66 5.396 10.296 -9.703 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.366 9.739 -8.412 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.185 11.680 -9.869 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.146 10.557 -7.290 1.00 0.00 C ATOM 1032 CE2 TYR A 66 4.930 12.498 -8.751 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.904 11.938 -7.452 1.00 0.00 C ATOM 1034 OH TYR A 66 4.645 12.720 -6.367 1.00 0.00 O ATOM 0 H TYR A 66 7.152 11.095 -11.966 1.00 0.00 H new ATOM 0 HA TYR A 66 7.579 8.805 -10.291 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.165 9.832 -11.772 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.157 8.434 -10.715 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.513 8.677 -8.282 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.219 12.115 -10.857 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.162 10.127 -6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.754 13.555 -8.886 1.00 0.00 H new ATOM 0 HH TYR A 66 4.522 12.153 -5.577 1.00 0.00 H new ATOM 1044 N THR A 67 8.260 7.181 -12.136 1.00 0.00 N ATOM 1045 CA THR A 67 8.620 6.153 -13.108 1.00 0.00 C ATOM 1046 C THR A 67 7.678 4.931 -13.077 1.00 0.00 C ATOM 1047 O THR A 67 7.938 3.945 -13.771 1.00 0.00 O ATOM 1048 CB THR A 67 10.109 5.795 -12.881 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.470 5.835 -11.507 1.00 0.00 O ATOM 1050 CG2 THR A 67 11.008 6.820 -13.585 1.00 0.00 C ATOM 0 H THR A 67 8.842 7.159 -11.299 1.00 0.00 H new ATOM 0 HA THR A 67 8.493 6.540 -14.119 1.00 0.00 H new ATOM 0 HB THR A 67 10.241 4.787 -13.274 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.353 4.946 -11.112 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.054 6.561 -13.420 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.797 6.815 -14.654 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.813 7.813 -13.181 1.00 0.00 H new ATOM 1058 N HIS A 68 6.587 4.974 -12.295 1.00 0.00 N ATOM 1059 CA HIS A 68 5.731 3.818 -11.998 1.00 0.00 C ATOM 1060 C HIS A 68 4.246 4.182 -12.085 1.00 0.00 C ATOM 1061 O HIS A 68 3.414 3.649 -11.348 1.00 0.00 O ATOM 1062 CB HIS A 68 6.102 3.233 -10.622 1.00 0.00 C ATOM 1063 CG HIS A 68 7.581 3.011 -10.431 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.299 1.872 -10.717 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.473 3.959 -10.012 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.596 2.132 -10.476 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.756 3.400 -10.050 1.00 0.00 N ATOM 0 H HIS A 68 6.270 5.832 -11.843 1.00 0.00 H new ATOM 0 HA HIS A 68 5.905 3.051 -12.752 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.742 3.905 -9.843 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.582 2.284 -10.489 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.915 0.988 -11.052 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.230 4.965 -9.705 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.399 1.422 -10.606 1.00 0.00 H new ATOM 1075 N VAL A 69 3.908 5.127 -12.958 1.00 0.00 N ATOM 1076 CA VAL A 69 2.520 5.432 -13.282 1.00 0.00 C ATOM 1077 C VAL A 69 2.056 4.389 -14.302 1.00 0.00 C ATOM 1078 O VAL A 69 2.808 4.042 -15.217 1.00 0.00 O ATOM 1079 CB VAL A 69 2.392 6.869 -13.831 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.919 7.265 -14.021 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.044 7.919 -12.920 1.00 0.00 C ATOM 0 H VAL A 69 4.587 5.700 -13.459 1.00 0.00 H new ATOM 0 HA VAL A 69 1.891 5.387 -12.393 1.00 0.00 H new ATOM 0 HB VAL A 69 2.914 6.857 -14.788 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.863 8.282 -14.409 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.446 6.581 -14.726 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.402 7.213 -13.063 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.921 8.909 -13.360 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.568 7.896 -11.940 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.106 7.699 -12.813 1.00 0.00 H new ATOM 1091 N GLU A 70 0.816 3.918 -14.187 1.00 0.00 N ATOM 1092 CA GLU A 70 0.175 3.071 -15.183 1.00 0.00 C ATOM 1093 C GLU A 70 -1.320 3.380 -15.161 1.00 0.00 C ATOM 1094 O GLU A 70 -1.877 3.661 -14.098 1.00 0.00 O ATOM 1095 CB GLU A 70 0.464 1.591 -14.864 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.169 0.595 -15.850 1.00 0.00 C ATOM 1097 CD GLU A 70 0.283 0.825 -17.304 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -0.277 1.719 -17.978 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.190 0.107 -17.784 1.00 0.00 O ATOM 0 H GLU A 70 0.220 4.120 -13.384 1.00 0.00 H new ATOM 0 HA GLU A 70 0.563 3.266 -16.183 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.543 1.438 -14.854 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.101 1.370 -13.860 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.090 -0.420 -15.550 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.255 0.676 -15.795 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.980 3.333 -16.320 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.427 3.477 -16.382 1.00 0.00 C ATOM 1108 C ASN A 71 -4.064 2.112 -16.145 1.00 0.00 C ATOM 1109 O ASN A 71 -3.900 1.206 -16.964 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.893 4.078 -17.716 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.416 4.027 -17.855 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.939 3.589 -18.873 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -6.167 4.449 -16.846 1.00 0.00 N ATOM 0 H ASN A 71 -1.531 3.196 -17.226 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.743 4.174 -15.606 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.555 5.112 -17.788 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.433 3.534 -18.541 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.184 4.410 -16.916 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.728 4.813 -16.000 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.793 1.968 -15.035 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.502 0.732 -14.719 1.00 0.00 C ATOM 1122 C ALA A 72 -6.616 0.446 -15.738 1.00 0.00 C ATOM 1123 O ALA A 72 -6.878 -0.717 -16.044 1.00 0.00 O ATOM 1124 CB ALA A 72 -6.080 0.814 -13.305 1.00 0.00 C ATOM 0 H ALA A 72 -4.906 2.702 -14.336 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.790 -0.092 -14.771 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.608 -0.111 -13.074 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.271 0.959 -12.589 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.773 1.653 -13.243 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.259 1.493 -16.264 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.320 1.403 -17.258 1.00 0.00 C ATOM 1132 C GLY A 73 -9.275 2.580 -17.109 1.00 0.00 C ATOM 1133 O GLY A 73 -8.896 3.627 -16.572 1.00 0.00 O ATOM 0 H GLY A 73 -7.045 2.454 -15.998 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.891 1.397 -18.260 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.863 0.466 -17.138 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.507 2.399 -17.580 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.609 3.317 -17.334 1.00 0.00 C ATOM 1139 C GLY A 74 -12.504 2.751 -16.235 1.00 0.00 C ATOM 1140 O GLY A 74 -12.479 1.548 -15.963 1.00 0.00 O ATOM 0 H GLY A 74 -10.768 1.596 -18.152 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.225 4.293 -17.039 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.185 3.464 -18.248 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.309 3.621 -15.624 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.093 3.370 -14.415 1.00 0.00 C ATOM 1146 C LEU A 75 -14.786 2.008 -14.412 1.00 0.00 C ATOM 1147 O LEU A 75 -14.600 1.222 -13.484 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.119 4.512 -14.256 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.120 4.315 -13.096 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -15.410 4.233 -11.741 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -17.114 5.478 -13.095 1.00 0.00 C ATOM 0 H LEU A 75 -13.438 4.569 -15.978 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.409 3.346 -13.567 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.582 5.448 -14.101 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.676 4.615 -15.187 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.643 3.371 -13.248 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.148 4.094 -10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.718 3.391 -11.743 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.857 5.156 -11.563 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -17.825 5.348 -12.279 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.576 6.416 -12.961 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.650 5.499 -14.044 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.597 1.732 -15.437 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.420 0.523 -15.474 1.00 0.00 C ATOM 1165 C LYS A 76 -15.672 -0.650 -16.109 1.00 0.00 C ATOM 1166 O LYS A 76 -16.093 -1.793 -15.932 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.748 0.810 -16.198 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.601 1.846 -15.441 1.00 0.00 C ATOM 1169 CD LYS A 76 -19.957 2.052 -16.129 1.00 0.00 C ATOM 1170 CE LYS A 76 -20.810 3.146 -15.466 1.00 0.00 C ATOM 1171 NZ LYS A 76 -21.288 2.786 -14.108 1.00 0.00 N ATOM 0 H LYS A 76 -15.700 2.333 -16.255 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.645 0.230 -14.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.542 1.175 -17.204 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -18.312 -0.117 -16.304 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.757 1.513 -14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -18.067 2.795 -15.391 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.791 2.312 -17.174 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -20.510 1.112 -16.118 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.225 4.064 -15.405 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.671 3.358 -16.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.173 3.294 -13.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.458 1.761 -14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.569 3.051 -13.405 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.575 -0.395 -16.827 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.753 -1.445 -17.429 1.00 0.00 C ATOM 1187 C ASP A 77 -12.939 -2.181 -16.362 1.00 0.00 C ATOM 1188 O ASP A 77 -12.738 -3.391 -16.473 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.813 -0.846 -18.481 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.905 -1.927 -19.092 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.398 -2.757 -19.888 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.687 -1.926 -18.808 1.00 0.00 O ATOM 0 H ASP A 77 -14.232 0.549 -17.007 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.419 -2.161 -17.911 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.399 -0.371 -19.268 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.201 -0.068 -18.025 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.493 -1.469 -15.319 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.748 -2.045 -14.201 1.00 0.00 C ATOM 1199 C ILE A 78 -12.631 -3.098 -13.512 1.00 0.00 C ATOM 1200 O ILE A 78 -13.765 -2.813 -13.112 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.268 -0.912 -13.262 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.203 -0.053 -13.986 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -10.674 -1.467 -11.954 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.962 1.310 -13.334 1.00 0.00 C ATOM 0 H ILE A 78 -12.643 -0.464 -15.230 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.848 -2.558 -14.538 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.135 -0.302 -13.007 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.263 -0.604 -14.013 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.514 0.099 -15.020 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.349 -0.640 -11.322 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.431 -2.049 -11.429 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.821 -2.105 -12.184 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.203 1.854 -13.897 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.890 1.881 -13.331 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.620 1.168 -12.309 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.098 -4.315 -13.363 1.00 0.00 N ATOM 1217 CA ALA A 79 -12.797 -5.489 -12.847 1.00 0.00 C ATOM 1218 C ALA A 79 -12.744 -5.536 -11.310 1.00 0.00 C ATOM 1219 O ALA A 79 -12.266 -6.509 -10.720 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.209 -6.748 -13.505 1.00 0.00 C ATOM 0 H ALA A 79 -11.128 -4.514 -13.610 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.855 -5.435 -13.104 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.724 -7.631 -13.126 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.338 -6.688 -14.586 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.147 -6.819 -13.270 1.00 0.00 H new ATOM 1226 N MET A 80 -13.202 -4.467 -10.657 1.00 0.00 N ATOM 1227 CA MET A 80 -13.271 -4.326 -9.200 1.00 0.00 C ATOM 1228 C MET A 80 -14.625 -3.704 -8.830 1.00 0.00 C ATOM 1229 O MET A 80 -15.253 -3.091 -9.700 1.00 0.00 O ATOM 1230 CB MET A 80 -12.123 -3.423 -8.714 1.00 0.00 C ATOM 1231 CG MET A 80 -10.751 -4.100 -8.804 1.00 0.00 C ATOM 1232 SD MET A 80 -9.349 -3.063 -8.296 1.00 0.00 S ATOM 1233 CE MET A 80 -9.686 -2.830 -6.527 1.00 0.00 C ATOM 0 H MET A 80 -13.549 -3.643 -11.147 1.00 0.00 H new ATOM 0 HA MET A 80 -13.174 -5.301 -8.723 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.111 -2.509 -9.307 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.311 -3.130 -7.681 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.764 -4.997 -8.184 1.00 0.00 H new ATOM 0 HG3 MET A 80 -10.590 -4.425 -9.832 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.844 -2.319 -6.060 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.588 -2.230 -6.404 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.829 -3.801 -6.053 1.00 0.00 H new ATOM 1243 N PRO A 81 -15.092 -3.829 -7.574 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.299 -3.150 -7.114 1.00 0.00 C ATOM 1245 C PRO A 81 -16.101 -1.628 -7.073 1.00 0.00 C ATOM 1246 O PRO A 81 -14.972 -1.126 -7.063 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.603 -3.736 -5.730 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.238 -4.202 -5.226 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.525 -4.641 -6.503 1.00 0.00 C ATOM 0 HA PRO A 81 -17.137 -3.309 -7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.041 -2.990 -5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.311 -4.563 -5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.700 -3.400 -4.720 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.330 -5.022 -4.514 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.449 -4.486 -6.423 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.681 -5.703 -6.693 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.211 -0.886 -7.008 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.220 0.574 -6.978 1.00 0.00 C ATOM 1259 C LYS A 82 -18.135 1.059 -5.855 1.00 0.00 C ATOM 1260 O LYS A 82 -19.057 0.344 -5.457 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.685 1.172 -8.323 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.776 0.923 -9.539 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.121 -0.354 -10.318 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.096 -0.564 -11.440 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.209 -1.909 -12.052 1.00 0.00 N ATOM 0 H LYS A 82 -18.145 -1.295 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.199 0.911 -6.799 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.674 0.773 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.797 2.249 -8.196 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -16.843 1.778 -10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.741 0.863 -9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.122 -1.213 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.124 -0.277 -10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.238 0.197 -12.208 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.090 -0.431 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.416 -2.060 -12.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.183 -2.633 -11.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.107 -1.979 -12.572 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.899 2.280 -5.379 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.672 2.970 -4.348 1.00 0.00 C ATOM 1281 C VAL A 83 -18.754 4.455 -4.731 1.00 0.00 C ATOM 1282 O VAL A 83 -17.936 4.937 -5.524 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.038 2.750 -2.952 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.057 1.274 -2.524 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.591 3.260 -2.858 1.00 0.00 C ATOM 0 H VAL A 83 -17.122 2.845 -5.721 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.683 2.567 -4.287 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.663 3.335 -2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.601 1.175 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.087 0.920 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.496 0.679 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.205 3.076 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.973 2.736 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.568 4.330 -3.065 1.00 0.00 H new ATOM 1295 N LYS A 84 -19.717 5.198 -4.181 1.00 0.00 N ATOM 1296 CA LYS A 84 -19.986 6.592 -4.548 1.00 0.00 C ATOM 1297 C LYS A 84 -20.268 7.438 -3.308 1.00 0.00 C ATOM 1298 O LYS A 84 -20.528 6.892 -2.231 1.00 0.00 O ATOM 1299 CB LYS A 84 -21.149 6.663 -5.556 1.00 0.00 C ATOM 1300 CG LYS A 84 -22.498 6.132 -5.043 1.00 0.00 C ATOM 1301 CD LYS A 84 -23.602 6.215 -6.109 1.00 0.00 C ATOM 1302 CE LYS A 84 -23.967 7.665 -6.465 1.00 0.00 C ATOM 1303 NZ LYS A 84 -25.003 7.736 -7.525 1.00 0.00 N ATOM 0 H LYS A 84 -20.342 4.844 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.098 7.004 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -21.279 7.701 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -20.871 6.100 -6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -22.381 5.096 -4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -22.800 6.703 -4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -23.274 5.695 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -24.491 5.698 -5.748 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -24.326 8.177 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -23.073 8.192 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -25.219 8.732 -7.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -24.651 7.270 -8.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -25.866 7.256 -7.200 1.00 0.00 H new ATOM 1317 N GLY A 85 -20.259 8.763 -3.480 1.00 0.00 N ATOM 1318 CA GLY A 85 -20.390 9.722 -2.392 1.00 0.00 C ATOM 1319 C GLY A 85 -19.325 9.462 -1.332 1.00 0.00 C ATOM 1320 O GLY A 85 -18.147 9.271 -1.699 1.00 0.00 O ATOM 1321 OXT GLY A 85 -19.668 9.459 -0.132 1.00 0.00 O ATOM 0 H GLY A 85 -20.159 9.201 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -20.290 10.737 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -21.382 9.646 -1.948 1.00 0.00 H new TER 1325 GLY A 85