USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=16 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 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HD1:sc= -0.459 K(o=-0.46,f=0.54) USER MOD Set 2.1: A 53 GLN : amide:sc= -1.02 K(o=-1,f=-0.22) USER MOD Set 2.2: A 56 GLN : amide:sc= 0 K(o=-1,f=-0.51) USER MOD Set 3.1: A 12 GLN : amide:sc= 0.529 K(o=-0.7,f=-8!) USER MOD Set 3.2: A 49 ASN : amide:sc= -1.23! C(o=-0.7!,f=-1.3!) USER MOD Set 4.1: A 48 CYS SG : rot -71:sc= 0.633 USER MOD Set 4.2: A 54 SER OG : rot 40:sc= 1.49 USER MOD Set 4.3: A 71 ASN : amide:sc= 1.29 K(o=3.4,f=2) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.38 K(o=1.4,f=-0.0021) USER MOD Single : A 15 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 17 HIS : no HE2:sc= -0.276 K(o=-0.28,f=-1.7) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.71 X(o=-0.71,f=-1.1) 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 84:sc= 1.13 USER MOD Single : A 40 LYS NZ :NH3+ 163:sc= 1.22 (180deg=1.1) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00328) USER MOD Single : A 47 TYR OH : rot -34:sc= -0.0461 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 62 SER OG : rot 67:sc= 1.31 USER MOD Single : A 64 MET CE :methyl 162:sc= 0 (180deg=-0.494) USER MOD Single : A 66 TYR OH : rot 177:sc= 1.08 USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= 1.2 (180deg=0.775) USER MOD Single : A 80 MET CE :methyl 169:sc=-0.00554 (180deg=-0.162) USER MOD Single : A 82 LYS NZ :NH3+ -177:sc= 1.99 (180deg=1.94) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.999 -1.708 -2.602 1.00 0.00 N ATOM 2 CA ALA A 1 3.317 -0.456 -2.210 1.00 0.00 C ATOM 3 C ALA A 1 2.611 0.134 -3.430 1.00 0.00 C ATOM 4 O ALA A 1 3.268 0.468 -4.423 1.00 0.00 O ATOM 5 CB ALA A 1 4.296 0.561 -1.597 1.00 0.00 C ATOM 0 H1 ALA A 1 4.481 -2.114 -1.775 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.298 -2.387 -2.962 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.698 -1.505 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 1 2.581 -0.688 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.755 1.467 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.758 0.131 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.069 0.807 -2.325 1.00 0.00 H new ATOM 13 N GLU A 2 1.281 0.241 -3.389 1.00 0.00 N ATOM 14 CA GLU A 2 0.487 0.804 -4.472 1.00 0.00 C ATOM 15 C GLU A 2 -0.776 1.461 -3.911 1.00 0.00 C ATOM 16 O GLU A 2 -1.236 1.091 -2.826 1.00 0.00 O ATOM 17 CB GLU A 2 0.141 -0.280 -5.517 1.00 0.00 C ATOM 18 CG GLU A 2 -0.813 -1.402 -5.068 1.00 0.00 C ATOM 19 CD GLU A 2 -0.234 -2.321 -3.973 1.00 0.00 C ATOM 20 OE1 GLU A 2 0.858 -2.904 -4.164 1.00 0.00 O ATOM 21 OE2 GLU A 2 -0.889 -2.505 -2.922 1.00 0.00 O ATOM 0 H GLU A 2 0.723 -0.066 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 2 1.074 1.571 -4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.299 0.213 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.072 -0.739 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.736 -0.954 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.076 -2.009 -5.934 1.00 0.00 H new ATOM 28 N HIS A 3 -1.362 2.382 -4.679 1.00 0.00 N ATOM 29 CA HIS A 3 -2.672 2.974 -4.435 1.00 0.00 C ATOM 30 C HIS A 3 -3.368 3.199 -5.781 1.00 0.00 C ATOM 31 O HIS A 3 -2.712 3.309 -6.824 1.00 0.00 O ATOM 32 CB HIS A 3 -2.536 4.304 -3.670 1.00 0.00 C ATOM 33 CG HIS A 3 -2.233 4.148 -2.199 1.00 0.00 C ATOM 34 ND1 HIS A 3 -3.156 4.053 -1.180 1.00 0.00 N ATOM 35 CD2 HIS A 3 -0.992 4.095 -1.622 1.00 0.00 C ATOM 36 CE1 HIS A 3 -2.486 3.945 -0.019 1.00 0.00 C ATOM 37 NE2 HIS A 3 -1.157 3.967 -0.235 1.00 0.00 N ATOM 0 H HIS A 3 -0.916 2.748 -5.520 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.267 2.298 -3.821 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.745 4.895 -4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.462 4.869 -3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -0.048 4.143 -2.145 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -2.950 3.853 0.952 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -0.420 3.903 0.467 1.00 0.00 H new ATOM 45 N TRP A 4 -4.699 3.295 -5.741 1.00 0.00 N ATOM 46 CA TRP A 4 -5.538 3.632 -6.884 1.00 0.00 C ATOM 47 C TRP A 4 -5.867 5.108 -6.769 1.00 0.00 C ATOM 48 O TRP A 4 -6.318 5.554 -5.713 1.00 0.00 O ATOM 49 CB TRP A 4 -6.808 2.767 -6.880 1.00 0.00 C ATOM 50 CG TRP A 4 -6.529 1.317 -7.151 1.00 0.00 C ATOM 51 CD1 TRP A 4 -6.036 0.428 -6.259 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.644 0.584 -8.410 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.808 -0.783 -6.878 1.00 0.00 N ATOM 54 CE2 TRP A 4 -6.150 -0.741 -8.212 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.107 0.908 -9.704 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.098 -1.687 -9.248 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.084 -0.043 -10.742 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.574 -1.335 -10.520 1.00 0.00 C ATOM 0 H TRP A 4 -5.234 3.135 -4.887 1.00 0.00 H new ATOM 0 HA TRP A 4 -5.027 3.436 -7.827 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -7.303 2.862 -5.913 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.501 3.145 -7.632 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -5.849 0.636 -5.216 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -5.433 -1.607 -6.407 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.485 1.901 -9.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.697 -2.673 -9.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.462 0.222 -11.718 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.549 -2.054 -11.326 1.00 0.00 H new ATOM 69 N ILE A 5 -5.631 5.872 -7.830 1.00 0.00 N ATOM 70 CA ILE A 5 -5.848 7.308 -7.854 1.00 0.00 C ATOM 71 C ILE A 5 -6.841 7.522 -8.992 1.00 0.00 C ATOM 72 O ILE A 5 -6.541 7.223 -10.151 1.00 0.00 O ATOM 73 CB ILE A 5 -4.517 8.081 -8.044 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.546 8.075 -6.836 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.815 9.566 -8.311 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.977 6.720 -6.408 1.00 0.00 C ATOM 0 H ILE A 5 -5.277 5.501 -8.712 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.242 7.694 -6.914 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.035 7.556 -8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.710 8.735 -7.070 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.065 8.509 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.878 10.107 -8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.419 9.659 -9.213 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.359 9.986 -7.465 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.314 6.857 -5.554 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.794 6.054 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.418 6.283 -7.235 1.00 0.00 H new ATOM 88 N ASP A 6 -8.030 8.009 -8.647 1.00 0.00 N ATOM 89 CA ASP A 6 -8.999 8.467 -9.622 1.00 0.00 C ATOM 90 C ASP A 6 -8.561 9.842 -10.108 1.00 0.00 C ATOM 91 O ASP A 6 -8.292 10.737 -9.297 1.00 0.00 O ATOM 92 CB ASP A 6 -10.394 8.580 -9.000 1.00 0.00 C ATOM 93 CG ASP A 6 -11.485 8.701 -10.077 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.164 8.859 -11.280 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.673 8.647 -9.693 1.00 0.00 O ATOM 0 H ASP A 6 -8.343 8.095 -7.680 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.048 7.753 -10.444 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.589 7.705 -8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.431 9.450 -8.344 1.00 0.00 H new ATOM 100 N VAL A 7 -8.507 10.009 -11.424 1.00 0.00 N ATOM 101 CA VAL A 7 -8.064 11.207 -12.110 1.00 0.00 C ATOM 102 C VAL A 7 -9.243 11.824 -12.894 1.00 0.00 C ATOM 103 O VAL A 7 -9.075 12.883 -13.503 1.00 0.00 O ATOM 104 CB VAL A 7 -6.807 10.886 -12.965 1.00 0.00 C ATOM 105 CG1 VAL A 7 -6.010 12.137 -13.342 1.00 0.00 C ATOM 106 CG2 VAL A 7 -5.781 9.984 -12.252 1.00 0.00 C ATOM 0 H VAL A 7 -8.786 9.272 -12.071 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.749 11.974 -11.402 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.235 10.388 -13.835 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.144 11.851 -13.939 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.642 12.811 -13.920 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.675 12.642 -12.436 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.933 9.805 -12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.435 10.475 -11.342 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.248 9.033 -11.996 1.00 0.00 H new ATOM 116 N ARG A 8 -10.447 11.221 -12.880 1.00 0.00 N ATOM 117 CA ARG A 8 -11.651 11.873 -13.417 1.00 0.00 C ATOM 118 C ARG A 8 -11.946 13.141 -12.615 1.00 0.00 C ATOM 119 O ARG A 8 -11.448 13.301 -11.499 1.00 0.00 O ATOM 120 CB ARG A 8 -12.837 10.891 -13.474 1.00 0.00 C ATOM 121 CG ARG A 8 -13.607 10.712 -12.160 1.00 0.00 C ATOM 122 CD ARG A 8 -14.442 9.423 -12.157 1.00 0.00 C ATOM 123 NE ARG A 8 -15.390 9.329 -13.288 1.00 0.00 N ATOM 124 CZ ARG A 8 -16.365 8.420 -13.387 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.568 7.532 -12.434 1.00 0.00 N ATOM 126 NH2 ARG A 8 -17.173 8.370 -14.435 1.00 0.00 N ATOM 0 H ARG A 8 -10.609 10.287 -12.504 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.477 12.177 -14.449 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.533 11.233 -14.240 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.465 9.917 -13.793 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.904 10.691 -11.327 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.262 11.569 -12.003 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.770 8.565 -12.185 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.998 9.363 -11.222 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.293 10.005 -14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.976 7.531 -11.603 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.317 6.846 -12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.061 9.038 -15.198 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.907 7.663 -14.480 1.00 0.00 H new ATOM 140 N VAL A 9 -12.753 14.038 -13.186 1.00 0.00 N ATOM 141 CA VAL A 9 -13.111 15.302 -12.546 1.00 0.00 C ATOM 142 C VAL A 9 -13.730 15.029 -11.160 1.00 0.00 C ATOM 143 O VAL A 9 -14.393 14.001 -10.980 1.00 0.00 O ATOM 144 CB VAL A 9 -14.004 16.146 -13.485 1.00 0.00 C ATOM 145 CG1 VAL A 9 -13.221 16.558 -14.742 1.00 0.00 C ATOM 146 CG2 VAL A 9 -15.298 15.438 -13.914 1.00 0.00 C ATOM 0 H VAL A 9 -13.176 13.907 -14.105 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.220 15.904 -12.368 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.294 17.022 -12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.863 17.151 -15.393 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.353 17.150 -14.452 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.891 15.666 -15.274 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.870 16.093 -14.571 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.051 14.518 -14.444 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.892 15.200 -13.032 1.00 0.00 H new ATOM 156 N PRO A 10 -13.565 15.923 -10.168 1.00 0.00 N ATOM 157 CA PRO A 10 -13.930 15.608 -8.788 1.00 0.00 C ATOM 158 C PRO A 10 -15.441 15.434 -8.625 1.00 0.00 C ATOM 159 O PRO A 10 -15.901 14.633 -7.809 1.00 0.00 O ATOM 160 CB PRO A 10 -13.379 16.763 -7.947 1.00 0.00 C ATOM 161 CG PRO A 10 -13.311 17.935 -8.927 1.00 0.00 C ATOM 162 CD PRO A 10 -13.023 17.271 -10.273 1.00 0.00 C ATOM 0 HA PRO A 10 -13.509 14.655 -8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.030 16.987 -7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.396 16.526 -7.539 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.247 18.493 -8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.526 18.640 -8.653 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.492 17.820 -11.089 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.953 17.248 -10.478 1.00 0.00 H new ATOM 170 N GLU A 11 -16.230 16.152 -9.425 1.00 0.00 N ATOM 171 CA GLU A 11 -17.682 16.036 -9.448 1.00 0.00 C ATOM 172 C GLU A 11 -18.135 14.692 -10.032 1.00 0.00 C ATOM 173 O GLU A 11 -19.276 14.299 -9.798 1.00 0.00 O ATOM 174 CB GLU A 11 -18.270 17.208 -10.248 1.00 0.00 C ATOM 175 CG GLU A 11 -18.039 18.585 -9.601 1.00 0.00 C ATOM 176 CD GLU A 11 -18.718 18.732 -8.227 1.00 0.00 C ATOM 177 OE1 GLU A 11 -19.958 18.899 -8.171 1.00 0.00 O ATOM 178 OE2 GLU A 11 -18.013 18.704 -7.193 1.00 0.00 O ATOM 0 H GLU A 11 -15.869 16.841 -10.085 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.051 16.075 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.832 17.209 -11.246 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.342 17.050 -10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.968 18.751 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.414 19.360 -10.269 1.00 0.00 H new ATOM 185 N GLN A 12 -17.277 13.961 -10.756 1.00 0.00 N ATOM 186 CA GLN A 12 -17.584 12.610 -11.203 1.00 0.00 C ATOM 187 C GLN A 12 -17.125 11.607 -10.143 1.00 0.00 C ATOM 188 O GLN A 12 -17.877 10.680 -9.860 1.00 0.00 O ATOM 189 CB GLN A 12 -16.928 12.300 -12.556 1.00 0.00 C ATOM 190 CG GLN A 12 -17.728 12.761 -13.781 1.00 0.00 C ATOM 191 CD GLN A 12 -17.076 12.288 -15.088 1.00 0.00 C ATOM 192 OE1 GLN A 12 -16.325 11.312 -15.120 1.00 0.00 O ATOM 193 NE2 GLN A 12 -17.338 12.964 -16.193 1.00 0.00 N ATOM 0 H GLN A 12 -16.357 14.294 -11.043 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.662 12.529 -11.339 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.945 12.771 -12.583 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.768 11.224 -12.628 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.745 12.374 -13.720 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.800 13.849 -13.782 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.960 13.771 -16.161 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.918 12.678 -17.077 1.00 0.00 H new ATOM 202 N TYR A 13 -15.959 11.803 -9.510 1.00 0.00 N ATOM 203 CA TYR A 13 -15.483 10.927 -8.432 1.00 0.00 C ATOM 204 C TYR A 13 -16.538 10.800 -7.324 1.00 0.00 C ATOM 205 O TYR A 13 -16.819 9.697 -6.847 1.00 0.00 O ATOM 206 CB TYR A 13 -14.145 11.446 -7.874 1.00 0.00 C ATOM 207 CG TYR A 13 -13.786 10.972 -6.470 1.00 0.00 C ATOM 208 CD1 TYR A 13 -14.228 11.722 -5.359 1.00 0.00 C ATOM 209 CD2 TYR A 13 -13.011 9.813 -6.256 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.928 11.313 -4.048 1.00 0.00 C ATOM 211 CE2 TYR A 13 -12.665 9.426 -4.948 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.137 10.160 -3.836 1.00 0.00 C ATOM 213 OH TYR A 13 -12.799 9.774 -2.573 1.00 0.00 O ATOM 0 H TYR A 13 -15.323 12.569 -9.730 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.316 9.931 -8.842 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.348 11.146 -8.554 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.170 12.536 -7.874 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.804 12.622 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -12.682 9.221 -7.098 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.300 11.877 -3.206 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.035 8.563 -4.793 1.00 0.00 H new ATOM 0 HH TYR A 13 -12.254 8.961 -2.614 1.00 0.00 H new ATOM 223 N GLN A 14 -17.160 11.923 -6.942 1.00 0.00 N ATOM 224 CA GLN A 14 -18.204 11.944 -5.919 1.00 0.00 C ATOM 225 C GLN A 14 -19.417 11.097 -6.329 1.00 0.00 C ATOM 226 O GLN A 14 -20.073 10.514 -5.465 1.00 0.00 O ATOM 227 CB GLN A 14 -18.641 13.395 -5.660 1.00 0.00 C ATOM 228 CG GLN A 14 -17.604 14.191 -4.852 1.00 0.00 C ATOM 229 CD GLN A 14 -17.875 15.691 -4.954 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.643 16.268 -4.186 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.263 16.337 -5.930 1.00 0.00 N ATOM 0 H GLN A 14 -16.951 12.840 -7.336 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.792 11.512 -5.007 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -18.813 13.894 -6.614 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.590 13.394 -5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.634 13.881 -3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.602 13.972 -5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.630 15.837 -6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.423 17.336 -6.059 1.00 0.00 H new ATOM 240 N GLN A 15 -19.724 11.028 -7.629 1.00 0.00 N ATOM 241 CA GLN A 15 -20.865 10.281 -8.136 1.00 0.00 C ATOM 242 C GLN A 15 -20.521 8.801 -8.320 1.00 0.00 C ATOM 243 O GLN A 15 -21.410 7.969 -8.156 1.00 0.00 O ATOM 244 CB GLN A 15 -21.347 10.882 -9.467 1.00 0.00 C ATOM 245 CG GLN A 15 -21.966 12.277 -9.290 1.00 0.00 C ATOM 246 CD GLN A 15 -22.430 12.850 -10.630 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.479 12.485 -11.158 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.660 13.752 -11.215 1.00 0.00 N ATOM 0 H GLN A 15 -19.181 11.493 -8.357 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.667 10.353 -7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.507 10.945 -10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -22.082 10.216 -9.918 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.811 12.218 -8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.235 12.948 -8.838 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.792 14.048 -10.769 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -21.934 14.152 -12.112 1.00 0.00 H new ATOM 257 N GLU A 16 -19.274 8.455 -8.659 1.00 0.00 N ATOM 258 CA GLU A 16 -18.868 7.107 -9.039 1.00 0.00 C ATOM 259 C GLU A 16 -17.332 7.028 -9.023 1.00 0.00 C ATOM 260 O GLU A 16 -16.681 7.821 -9.706 1.00 0.00 O ATOM 261 CB GLU A 16 -19.415 6.848 -10.460 1.00 0.00 C ATOM 262 CG GLU A 16 -19.047 5.482 -11.050 1.00 0.00 C ATOM 263 CD GLU A 16 -19.400 5.413 -12.546 1.00 0.00 C ATOM 264 OE1 GLU A 16 -18.734 6.112 -13.346 1.00 0.00 O ATOM 265 OE2 GLU A 16 -20.305 4.641 -12.935 1.00 0.00 O ATOM 0 H GLU A 16 -18.504 9.124 -8.676 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.257 6.358 -8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.501 6.938 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.044 7.628 -11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.981 5.299 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.575 4.695 -10.512 1.00 0.00 H new ATOM 272 N HIS A 17 -16.737 6.059 -8.316 1.00 0.00 N ATOM 273 CA HIS A 17 -15.305 5.753 -8.411 1.00 0.00 C ATOM 274 C HIS A 17 -15.025 4.319 -7.931 1.00 0.00 C ATOM 275 O HIS A 17 -15.887 3.697 -7.304 1.00 0.00 O ATOM 276 CB HIS A 17 -14.468 6.796 -7.647 1.00 0.00 C ATOM 277 CG HIS A 17 -14.642 6.818 -6.153 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.635 7.466 -5.455 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.734 6.362 -5.237 1.00 0.00 C ATOM 280 CE1 HIS A 17 -15.349 7.367 -4.146 1.00 0.00 C ATOM 281 NE2 HIS A 17 -14.206 6.679 -3.956 1.00 0.00 N ATOM 0 H HIS A 17 -17.239 5.462 -7.658 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.005 5.809 -9.457 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.415 6.619 -7.867 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.713 7.784 -8.036 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.444 7.938 -5.859 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.812 5.846 -5.462 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.953 7.783 -3.353 1.00 0.00 H new ATOM 289 N VAL A 18 -13.842 3.771 -8.242 1.00 0.00 N ATOM 290 CA VAL A 18 -13.402 2.460 -7.758 1.00 0.00 C ATOM 291 C VAL A 18 -13.251 2.551 -6.238 1.00 0.00 C ATOM 292 O VAL A 18 -12.713 3.534 -5.722 1.00 0.00 O ATOM 293 CB VAL A 18 -12.084 2.020 -8.443 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.565 0.674 -7.915 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.259 1.876 -9.963 1.00 0.00 C ATOM 0 H VAL A 18 -13.159 4.232 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.140 1.698 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.366 2.806 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.640 0.414 -8.429 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.376 0.752 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.311 -0.100 -8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.314 1.566 -10.410 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.023 1.127 -10.172 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.564 2.833 -10.386 1.00 0.00 H new ATOM 305 N GLN A 19 -13.720 1.524 -5.528 1.00 0.00 N ATOM 306 CA GLN A 19 -13.764 1.487 -4.073 1.00 0.00 C ATOM 307 C GLN A 19 -12.385 1.810 -3.476 1.00 0.00 C ATOM 308 O GLN A 19 -11.411 1.095 -3.723 1.00 0.00 O ATOM 309 CB GLN A 19 -14.298 0.109 -3.643 1.00 0.00 C ATOM 310 CG GLN A 19 -14.518 -0.012 -2.129 1.00 0.00 C ATOM 311 CD GLN A 19 -15.134 -1.366 -1.771 1.00 0.00 C ATOM 312 OE1 GLN A 19 -14.432 -2.328 -1.471 1.00 0.00 O ATOM 313 NE2 GLN A 19 -16.453 -1.483 -1.808 1.00 0.00 N ATOM 0 H GLN A 19 -14.087 0.677 -5.962 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.438 2.253 -3.688 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.240 -0.084 -4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.596 -0.661 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.568 0.108 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.172 0.791 -1.788 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -17.029 -0.680 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.892 -2.377 -1.586 1.00 0.00 H new ATOM 322 N GLY A 20 -12.317 2.879 -2.676 1.00 0.00 N ATOM 323 CA GLY A 20 -11.160 3.218 -1.853 1.00 0.00 C ATOM 324 C GLY A 20 -10.081 4.042 -2.565 1.00 0.00 C ATOM 325 O GLY A 20 -9.054 4.329 -1.946 1.00 0.00 O ATOM 0 H GLY A 20 -13.084 3.545 -2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.503 3.773 -0.980 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.710 2.295 -1.487 1.00 0.00 H new ATOM 329 N ALA A 21 -10.267 4.417 -3.837 1.00 0.00 N ATOM 330 CA ALA A 21 -9.286 5.223 -4.564 1.00 0.00 C ATOM 331 C ALA A 21 -9.173 6.643 -3.984 1.00 0.00 C ATOM 332 O ALA A 21 -10.140 7.167 -3.424 1.00 0.00 O ATOM 333 CB ALA A 21 -9.675 5.296 -6.040 1.00 0.00 C ATOM 0 H ALA A 21 -11.093 4.172 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.313 4.743 -4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.943 5.897 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.700 4.290 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.660 5.753 -6.134 1.00 0.00 H new ATOM 339 N ILE A 22 -8.015 7.287 -4.167 1.00 0.00 N ATOM 340 CA ILE A 22 -7.837 8.711 -3.872 1.00 0.00 C ATOM 341 C ILE A 22 -8.551 9.518 -4.967 1.00 0.00 C ATOM 342 O ILE A 22 -8.668 9.055 -6.102 1.00 0.00 O ATOM 343 CB ILE A 22 -6.341 9.133 -3.823 1.00 0.00 C ATOM 344 CG1 ILE A 22 -5.326 8.066 -3.362 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.169 10.391 -2.947 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.518 7.523 -1.939 1.00 0.00 C ATOM 0 H ILE A 22 -7.174 6.834 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.257 8.907 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.099 9.318 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.369 7.228 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.325 8.490 -3.435 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.117 10.675 -2.921 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.756 11.209 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.512 10.179 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.748 6.781 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.441 8.342 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.501 7.060 -1.856 1.00 0.00 H new ATOM 358 N ASN A 23 -8.944 10.753 -4.659 1.00 0.00 N ATOM 359 CA ASN A 23 -9.405 11.741 -5.630 1.00 0.00 C ATOM 360 C ASN A 23 -8.231 12.669 -5.923 1.00 0.00 C ATOM 361 O ASN A 23 -7.921 13.513 -5.081 1.00 0.00 O ATOM 362 CB ASN A 23 -10.592 12.517 -5.047 1.00 0.00 C ATOM 363 CG ASN A 23 -10.991 13.702 -5.915 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.843 13.611 -6.787 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.361 14.838 -5.694 1.00 0.00 N ATOM 0 H ASN A 23 -8.950 11.102 -3.701 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.742 11.268 -6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.444 11.846 -4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.336 12.871 -4.048 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.581 15.661 -6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.653 14.895 -4.962 1.00 0.00 H new ATOM 372 N ILE A 24 -7.586 12.536 -7.087 1.00 0.00 N ATOM 373 CA ILE A 24 -6.585 13.494 -7.565 1.00 0.00 C ATOM 374 C ILE A 24 -6.843 13.703 -9.079 1.00 0.00 C ATOM 375 O ILE A 24 -6.153 13.093 -9.896 1.00 0.00 O ATOM 376 CB ILE A 24 -5.122 13.078 -7.246 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.867 12.603 -5.793 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.172 14.240 -7.597 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.687 13.700 -4.733 1.00 0.00 C ATOM 0 H ILE A 24 -7.745 11.757 -7.726 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.695 14.438 -7.031 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.925 12.202 -7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.701 11.970 -5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.975 11.977 -5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.145 13.950 -7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.261 14.475 -8.658 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.438 15.118 -7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.516 13.241 -3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.832 14.323 -4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.585 14.316 -4.690 1.00 0.00 H new ATOM 391 N PRO A 25 -7.867 14.487 -9.479 1.00 0.00 N ATOM 392 CA PRO A 25 -8.173 14.781 -10.878 1.00 0.00 C ATOM 393 C PRO A 25 -6.979 15.335 -11.648 1.00 0.00 C ATOM 394 O PRO A 25 -6.087 15.925 -11.043 1.00 0.00 O ATOM 395 CB PRO A 25 -9.312 15.799 -10.882 1.00 0.00 C ATOM 396 CG PRO A 25 -9.956 15.639 -9.505 1.00 0.00 C ATOM 397 CD PRO A 25 -8.840 15.113 -8.610 1.00 0.00 C ATOM 0 HA PRO A 25 -8.449 13.854 -11.381 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.941 16.813 -11.034 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.025 15.597 -11.682 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.343 16.589 -9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.795 14.945 -9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.385 15.924 -8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.230 14.397 -7.887 1.00 0.00 H new ATOM 405 N LEU A 26 -6.998 15.260 -12.984 1.00 0.00 N ATOM 406 CA LEU A 26 -5.878 15.702 -13.829 1.00 0.00 C ATOM 407 C LEU A 26 -5.451 17.142 -13.515 1.00 0.00 C ATOM 408 O LEU A 26 -4.259 17.425 -13.412 1.00 0.00 O ATOM 409 CB LEU A 26 -6.258 15.564 -15.313 1.00 0.00 C ATOM 410 CG LEU A 26 -5.235 16.124 -16.323 1.00 0.00 C ATOM 411 CD1 LEU A 26 -3.896 15.385 -16.248 1.00 0.00 C ATOM 412 CD2 LEU A 26 -5.813 15.977 -17.734 1.00 0.00 C ATOM 0 H LEU A 26 -7.789 14.891 -13.511 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.024 15.061 -13.612 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.415 14.508 -15.532 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.211 16.068 -15.473 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.051 17.171 -16.081 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.204 15.810 -16.975 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.479 15.489 -15.246 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.050 14.329 -16.469 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.102 16.369 -18.461 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.002 14.924 -17.942 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.747 16.534 -17.804 1.00 0.00 H new ATOM 424 N LYS A 27 -6.427 18.038 -13.324 1.00 0.00 N ATOM 425 CA LYS A 27 -6.181 19.444 -12.989 1.00 0.00 C ATOM 426 C LYS A 27 -5.433 19.588 -11.662 1.00 0.00 C ATOM 427 O LYS A 27 -4.699 20.557 -11.471 1.00 0.00 O ATOM 428 CB LYS A 27 -7.515 20.208 -12.901 1.00 0.00 C ATOM 429 CG LYS A 27 -8.270 20.246 -14.243 1.00 0.00 C ATOM 430 CD LYS A 27 -9.604 21.005 -14.164 1.00 0.00 C ATOM 431 CE LYS A 27 -9.408 22.504 -13.885 1.00 0.00 C ATOM 432 NZ LYS A 27 -10.694 23.246 -13.877 1.00 0.00 N ATOM 0 H LYS A 27 -7.417 17.805 -13.398 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.561 19.864 -13.781 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.147 19.740 -12.147 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.323 21.228 -12.568 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.636 20.715 -14.996 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.459 19.225 -14.576 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.146 20.880 -15.101 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.221 20.569 -13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.911 22.631 -12.923 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.750 22.930 -14.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.513 24.252 -13.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.157 23.148 -14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.314 22.858 -13.137 1.00 0.00 H new ATOM 446 N GLU A 28 -5.633 18.646 -10.743 1.00 0.00 N ATOM 447 CA GLU A 28 -5.107 18.681 -9.391 1.00 0.00 C ATOM 448 C GLU A 28 -3.752 17.971 -9.321 1.00 0.00 C ATOM 449 O GLU A 28 -2.914 18.405 -8.537 1.00 0.00 O ATOM 450 CB GLU A 28 -6.125 18.038 -8.429 1.00 0.00 C ATOM 451 CG GLU A 28 -7.493 18.749 -8.417 1.00 0.00 C ATOM 452 CD GLU A 28 -7.385 20.210 -7.948 1.00 0.00 C ATOM 453 OE1 GLU A 28 -6.872 20.440 -6.829 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.826 21.125 -8.679 1.00 0.00 O ATOM 0 H GLU A 28 -6.186 17.810 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.949 19.717 -9.091 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.269 16.995 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.713 18.043 -7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.923 18.722 -9.418 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.176 18.208 -7.761 1.00 0.00 H new ATOM 461 N VAL A 29 -3.497 16.936 -10.142 1.00 0.00 N ATOM 462 CA VAL A 29 -2.261 16.138 -10.112 1.00 0.00 C ATOM 463 C VAL A 29 -1.030 17.040 -10.004 1.00 0.00 C ATOM 464 O VAL A 29 -0.235 16.866 -9.080 1.00 0.00 O ATOM 465 CB VAL A 29 -2.183 15.195 -11.341 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.812 14.522 -11.520 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.203 14.051 -11.267 1.00 0.00 C ATOM 0 H VAL A 29 -4.156 16.627 -10.856 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.279 15.509 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.387 15.861 -12.179 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.835 13.878 -12.399 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.046 15.286 -11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.582 13.924 -10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.107 13.420 -12.151 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.017 13.455 -10.374 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.211 14.464 -11.224 1.00 0.00 H new ATOM 477 N LYS A 30 -0.916 18.042 -10.884 1.00 0.00 N ATOM 478 CA LYS A 30 0.266 18.896 -10.998 1.00 0.00 C ATOM 479 C LYS A 30 0.624 19.618 -9.691 1.00 0.00 C ATOM 480 O LYS A 30 1.783 19.988 -9.511 1.00 0.00 O ATOM 481 CB LYS A 30 0.044 19.880 -12.162 1.00 0.00 C ATOM 482 CG LYS A 30 1.333 20.598 -12.599 1.00 0.00 C ATOM 483 CD LYS A 30 1.157 21.414 -13.889 1.00 0.00 C ATOM 484 CE LYS A 30 0.167 22.577 -13.710 1.00 0.00 C ATOM 485 NZ LYS A 30 0.046 23.404 -14.937 1.00 0.00 N ATOM 0 H LYS A 30 -1.654 18.283 -11.545 1.00 0.00 H new ATOM 0 HA LYS A 30 1.130 18.265 -11.206 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.370 19.339 -13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.696 20.623 -11.866 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.663 21.260 -11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.121 19.860 -12.747 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.124 21.807 -14.203 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.805 20.759 -14.686 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.813 22.180 -13.443 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.493 23.205 -12.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.631 24.175 -14.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.975 23.805 -15.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.290 22.812 -15.723 1.00 0.00 H new ATOM 499 N GLU A 31 -0.333 19.813 -8.778 1.00 0.00 N ATOM 500 CA GLU A 31 -0.148 20.601 -7.560 1.00 0.00 C ATOM 501 C GLU A 31 -0.533 19.818 -6.293 1.00 0.00 C ATOM 502 O GLU A 31 -0.375 20.344 -5.189 1.00 0.00 O ATOM 503 CB GLU A 31 -0.952 21.910 -7.674 1.00 0.00 C ATOM 504 CG GLU A 31 -0.464 22.816 -8.816 1.00 0.00 C ATOM 505 CD GLU A 31 -1.186 24.175 -8.806 1.00 0.00 C ATOM 506 OE1 GLU A 31 -2.246 24.316 -9.458 1.00 0.00 O ATOM 507 OE2 GLU A 31 -0.691 25.129 -8.162 1.00 0.00 O ATOM 0 H GLU A 31 -1.271 19.421 -8.868 1.00 0.00 H new ATOM 0 HA GLU A 31 0.912 20.835 -7.462 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.004 21.672 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.886 22.454 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.611 22.973 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.632 22.320 -9.772 1.00 0.00 H new ATOM 514 N ARG A 32 -1.019 18.573 -6.416 1.00 0.00 N ATOM 515 CA ARG A 32 -1.618 17.835 -5.297 1.00 0.00 C ATOM 516 C ARG A 32 -1.153 16.388 -5.206 1.00 0.00 C ATOM 517 O ARG A 32 -1.252 15.825 -4.116 1.00 0.00 O ATOM 518 CB ARG A 32 -3.155 17.923 -5.410 1.00 0.00 C ATOM 519 CG ARG A 32 -3.897 17.539 -4.116 1.00 0.00 C ATOM 520 CD ARG A 32 -5.425 17.649 -4.257 1.00 0.00 C ATOM 521 NE ARG A 32 -5.879 19.017 -4.567 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.031 20.037 -3.717 1.00 0.00 C ATOM 523 NH1 ARG A 32 -5.757 19.915 -2.419 1.00 0.00 N ATOM 524 NH2 ARG A 32 -6.468 21.186 -4.211 1.00 0.00 N ATOM 0 H ARG A 32 -1.007 18.052 -7.293 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.281 18.301 -4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.432 18.940 -5.688 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.489 17.270 -6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.634 16.518 -3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.563 18.185 -3.304 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.761 16.974 -5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.894 17.318 -3.331 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.103 19.207 -5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.421 19.025 -2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.883 20.711 -1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.675 21.267 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.598 21.989 -3.596 1.00 0.00 H new ATOM 538 N ILE A 33 -0.630 15.767 -6.272 1.00 0.00 N ATOM 539 CA ILE A 33 -0.325 14.332 -6.237 1.00 0.00 C ATOM 540 C ILE A 33 0.702 13.979 -5.154 1.00 0.00 C ATOM 541 O ILE A 33 0.609 12.900 -4.572 1.00 0.00 O ATOM 542 CB ILE A 33 0.055 13.807 -7.641 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.106 12.262 -7.707 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.378 14.400 -8.165 1.00 0.00 C ATOM 545 CD1 ILE A 33 -1.248 11.577 -7.491 1.00 0.00 C ATOM 0 H ILE A 33 -0.412 16.228 -7.156 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.235 13.807 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.748 14.148 -8.295 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.500 11.964 -8.679 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.807 11.901 -6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.592 13.994 -9.154 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.291 15.485 -8.229 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.188 14.141 -7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.123 10.496 -7.553 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.637 11.841 -6.508 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.949 11.906 -8.258 1.00 0.00 H new ATOM 557 N ALA A 34 1.612 14.895 -4.802 1.00 0.00 N ATOM 558 CA ALA A 34 2.580 14.688 -3.726 1.00 0.00 C ATOM 559 C ALA A 34 1.911 14.385 -2.376 1.00 0.00 C ATOM 560 O ALA A 34 2.512 13.715 -1.538 1.00 0.00 O ATOM 561 CB ALA A 34 3.492 15.913 -3.612 1.00 0.00 C ATOM 0 H ALA A 34 1.695 15.803 -5.259 1.00 0.00 H new ATOM 0 HA ALA A 34 3.172 13.810 -3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.213 15.757 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.023 16.060 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.891 16.795 -3.393 1.00 0.00 H new ATOM 567 N THR A 35 0.675 14.839 -2.153 1.00 0.00 N ATOM 568 CA THR A 35 -0.078 14.543 -0.935 1.00 0.00 C ATOM 569 C THR A 35 -0.405 13.042 -0.859 1.00 0.00 C ATOM 570 O THR A 35 -0.397 12.457 0.226 1.00 0.00 O ATOM 571 CB THR A 35 -1.375 15.382 -0.887 1.00 0.00 C ATOM 572 OG1 THR A 35 -1.221 16.650 -1.501 1.00 0.00 O ATOM 573 CG2 THR A 35 -1.835 15.608 0.556 1.00 0.00 C ATOM 0 H THR A 35 0.168 15.425 -2.816 1.00 0.00 H new ATOM 0 HA THR A 35 0.536 14.807 -0.074 1.00 0.00 H new ATOM 0 HB THR A 35 -2.120 14.807 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.352 16.563 -2.468 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.749 16.201 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.026 14.646 1.032 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.058 16.138 1.107 1.00 0.00 H new ATOM 581 N ALA A 36 -0.684 12.416 -2.009 1.00 0.00 N ATOM 582 CA ALA A 36 -1.082 11.018 -2.110 1.00 0.00 C ATOM 583 C ALA A 36 0.121 10.102 -2.364 1.00 0.00 C ATOM 584 O ALA A 36 0.086 8.932 -1.984 1.00 0.00 O ATOM 585 CB ALA A 36 -2.095 10.889 -3.252 1.00 0.00 C ATOM 0 H ALA A 36 -0.636 12.885 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.527 10.706 -1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.407 9.849 -3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.964 11.511 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.635 11.215 -4.185 1.00 0.00 H new ATOM 591 N VAL A 37 1.179 10.626 -2.989 1.00 0.00 N ATOM 592 CA VAL A 37 2.342 9.879 -3.447 1.00 0.00 C ATOM 593 C VAL A 37 3.584 10.709 -3.064 1.00 0.00 C ATOM 594 O VAL A 37 4.137 11.423 -3.906 1.00 0.00 O ATOM 595 CB VAL A 37 2.231 9.572 -4.964 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.210 8.453 -5.340 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.829 9.132 -5.425 1.00 0.00 C ATOM 0 H VAL A 37 1.246 11.623 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 37 2.416 8.901 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 37 2.462 10.513 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.128 8.241 -6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.228 8.767 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.971 7.554 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.843 8.938 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.540 8.224 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.110 9.922 -5.208 1.00 0.00 H new ATOM 607 N PRO A 38 3.990 10.703 -1.778 1.00 0.00 N ATOM 608 CA PRO A 38 5.012 11.612 -1.264 1.00 0.00 C ATOM 609 C PRO A 38 6.434 11.294 -1.749 1.00 0.00 C ATOM 610 O PRO A 38 7.317 12.144 -1.617 1.00 0.00 O ATOM 611 CB PRO A 38 4.893 11.545 0.262 1.00 0.00 C ATOM 612 CG PRO A 38 4.306 10.159 0.521 1.00 0.00 C ATOM 613 CD PRO A 38 3.405 9.931 -0.690 1.00 0.00 C ATOM 0 HA PRO A 38 4.840 12.619 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.863 11.665 0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.245 12.332 0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.084 9.399 0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.743 10.128 1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.356 8.873 -0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.385 10.257 -0.485 1.00 0.00 H new ATOM 621 N ASP A 39 6.673 10.112 -2.325 1.00 0.00 N ATOM 622 CA ASP A 39 7.916 9.776 -3.015 1.00 0.00 C ATOM 623 C ASP A 39 7.590 8.830 -4.168 1.00 0.00 C ATOM 624 O ASP A 39 6.605 8.089 -4.119 1.00 0.00 O ATOM 625 CB ASP A 39 8.940 9.139 -2.062 1.00 0.00 C ATOM 626 CG ASP A 39 10.217 8.710 -2.807 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.712 9.482 -3.664 1.00 0.00 O ATOM 628 OD2 ASP A 39 10.702 7.584 -2.567 1.00 0.00 O ATOM 0 H ASP A 39 5.994 9.350 -2.323 1.00 0.00 H new ATOM 0 HA ASP A 39 8.369 10.690 -3.398 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.198 9.849 -1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.494 8.272 -1.574 1.00 0.00 H new ATOM 633 N LYS A 40 8.424 8.866 -5.207 1.00 0.00 N ATOM 634 CA LYS A 40 8.222 8.188 -6.483 1.00 0.00 C ATOM 635 C LYS A 40 8.014 6.679 -6.365 1.00 0.00 C ATOM 636 O LYS A 40 7.394 6.107 -7.255 1.00 0.00 O ATOM 637 CB LYS A 40 9.396 8.521 -7.423 1.00 0.00 C ATOM 638 CG LYS A 40 10.733 7.888 -6.986 1.00 0.00 C ATOM 639 CD LYS A 40 11.956 8.572 -7.614 1.00 0.00 C ATOM 640 CE LYS A 40 12.230 9.986 -7.066 1.00 0.00 C ATOM 641 NZ LYS A 40 12.624 10.000 -5.632 1.00 0.00 N ATOM 0 H LYS A 40 9.297 9.393 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 40 7.288 8.563 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.153 8.180 -8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.515 9.603 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.814 7.937 -5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.735 6.832 -7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.835 7.950 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.812 8.633 -8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.021 10.449 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.336 10.597 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.065 10.913 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.781 9.864 -5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.302 9.233 -5.451 1.00 0.00 H new ATOM 655 N ASN A 41 8.555 6.041 -5.321 1.00 0.00 N ATOM 656 CA ASN A 41 8.603 4.586 -5.207 1.00 0.00 C ATOM 657 C ASN A 41 7.212 3.956 -5.091 1.00 0.00 C ATOM 658 O ASN A 41 7.018 2.825 -5.537 1.00 0.00 O ATOM 659 CB ASN A 41 9.446 4.189 -3.988 1.00 0.00 C ATOM 660 CG ASN A 41 9.527 2.670 -3.843 1.00 0.00 C ATOM 661 OD1 ASN A 41 10.107 1.986 -4.681 1.00 0.00 O ATOM 662 ND2 ASN A 41 8.964 2.110 -2.783 1.00 0.00 N ATOM 0 H ASN A 41 8.974 6.527 -4.528 1.00 0.00 H new ATOM 0 HA ASN A 41 9.056 4.208 -6.124 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.450 4.602 -4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.012 4.620 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.009 1.099 -2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.485 2.690 -2.094 1.00 0.00 H new ATOM 669 N ASP A 42 6.254 4.651 -4.469 1.00 0.00 N ATOM 670 CA ASP A 42 4.891 4.136 -4.342 1.00 0.00 C ATOM 671 C ASP A 42 4.221 4.097 -5.712 1.00 0.00 C ATOM 672 O ASP A 42 4.341 5.033 -6.505 1.00 0.00 O ATOM 673 CB ASP A 42 4.066 4.981 -3.379 1.00 0.00 C ATOM 674 CG ASP A 42 2.597 4.536 -3.359 1.00 0.00 C ATOM 675 OD1 ASP A 42 2.346 3.346 -3.069 1.00 0.00 O ATOM 676 OD2 ASP A 42 1.709 5.382 -3.597 1.00 0.00 O ATOM 0 H ASP A 42 6.399 5.569 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 42 4.947 3.125 -3.937 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.484 4.904 -2.375 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.126 6.030 -3.670 1.00 0.00 H new ATOM 681 N THR A 43 3.531 2.998 -5.991 1.00 0.00 N ATOM 682 CA THR A 43 2.988 2.720 -7.315 1.00 0.00 C ATOM 683 C THR A 43 1.630 3.415 -7.457 1.00 0.00 C ATOM 684 O THR A 43 0.803 3.372 -6.543 1.00 0.00 O ATOM 685 CB THR A 43 2.886 1.202 -7.554 1.00 0.00 C ATOM 686 OG1 THR A 43 4.023 0.519 -7.060 1.00 0.00 O ATOM 687 CG2 THR A 43 2.732 0.851 -9.038 1.00 0.00 C ATOM 0 H THR A 43 3.332 2.272 -5.303 1.00 0.00 H new ATOM 0 HA THR A 43 3.659 3.115 -8.078 1.00 0.00 H new ATOM 0 HB THR A 43 1.993 0.884 -7.015 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.938 0.401 -6.091 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.665 -0.231 -9.151 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.826 1.314 -9.429 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.596 1.220 -9.591 1.00 0.00 H new ATOM 695 N VAL A 44 1.374 4.017 -8.618 1.00 0.00 N ATOM 696 CA VAL A 44 0.233 4.893 -8.840 1.00 0.00 C ATOM 697 C VAL A 44 -0.595 4.275 -9.965 1.00 0.00 C ATOM 698 O VAL A 44 -0.280 4.434 -11.148 1.00 0.00 O ATOM 699 CB VAL A 44 0.701 6.340 -9.134 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.432 7.337 -8.858 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.922 6.780 -8.310 1.00 0.00 C ATOM 0 H VAL A 44 1.965 3.905 -9.442 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.392 4.976 -7.951 1.00 0.00 H new ATOM 0 HB VAL A 44 0.987 6.338 -10.186 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.086 8.349 -9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.285 7.104 -9.496 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.731 7.267 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.189 7.804 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.682 6.729 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.763 6.120 -8.524 1.00 0.00 H new ATOM 711 N LYS A 45 -1.631 3.516 -9.598 1.00 0.00 N ATOM 712 CA LYS A 45 -2.599 2.983 -10.551 1.00 0.00 C ATOM 713 C LYS A 45 -3.554 4.125 -10.886 1.00 0.00 C ATOM 714 O LYS A 45 -4.535 4.340 -10.168 1.00 0.00 O ATOM 715 CB LYS A 45 -3.324 1.754 -9.963 1.00 0.00 C ATOM 716 CG LYS A 45 -2.406 0.574 -9.597 1.00 0.00 C ATOM 717 CD LYS A 45 -1.573 0.049 -10.781 1.00 0.00 C ATOM 718 CE LYS A 45 -0.724 -1.176 -10.404 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.535 -2.399 -10.164 1.00 0.00 N ATOM 0 H LYS A 45 -1.819 3.255 -8.630 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.116 2.628 -11.461 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.867 2.064 -9.070 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.066 1.409 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.732 0.884 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.015 -0.240 -9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.240 -0.214 -11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.920 0.843 -11.142 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.008 -1.373 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.147 -0.948 -9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.904 -3.197 -9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.177 -2.238 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.092 -2.619 -11.015 1.00 0.00 H new ATOM 733 N VAL A 46 -3.229 4.912 -11.910 1.00 0.00 N ATOM 734 CA VAL A 46 -4.076 6.022 -12.329 1.00 0.00 C ATOM 735 C VAL A 46 -5.197 5.469 -13.212 1.00 0.00 C ATOM 736 O VAL A 46 -4.958 4.624 -14.080 1.00 0.00 O ATOM 737 CB VAL A 46 -3.252 7.144 -13.003 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.376 7.863 -11.968 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.341 6.704 -14.158 1.00 0.00 C ATOM 0 H VAL A 46 -2.381 4.799 -12.466 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.532 6.498 -11.461 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.011 7.797 -13.433 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.803 8.649 -12.460 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.010 8.303 -11.198 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.692 7.148 -11.510 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.812 7.571 -14.555 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.619 5.974 -13.794 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.945 6.255 -14.947 1.00 0.00 H new ATOM 749 N TYR A 47 -6.418 5.962 -13.037 1.00 0.00 N ATOM 750 CA TYR A 47 -7.549 5.676 -13.914 1.00 0.00 C ATOM 751 C TYR A 47 -8.481 6.889 -13.914 1.00 0.00 C ATOM 752 O TYR A 47 -8.292 7.815 -13.126 1.00 0.00 O ATOM 753 CB TYR A 47 -8.271 4.402 -13.453 1.00 0.00 C ATOM 754 CG TYR A 47 -9.110 4.582 -12.207 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.506 4.577 -10.935 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.491 4.824 -12.332 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.281 4.822 -9.790 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.266 5.092 -11.196 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.664 5.084 -9.922 1.00 0.00 C ATOM 760 OH TYR A 47 -11.435 5.314 -8.828 1.00 0.00 O ATOM 0 H TYR A 47 -6.655 6.585 -12.265 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.205 5.496 -14.932 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.911 4.048 -14.261 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.530 3.624 -13.269 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.447 4.385 -10.840 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.955 4.803 -13.307 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.822 4.810 -8.812 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.320 5.304 -11.296 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.108 4.775 -8.078 1.00 0.00 H new ATOM 770 N CYS A 48 -9.490 6.898 -14.780 1.00 0.00 N ATOM 771 CA CYS A 48 -10.571 7.876 -14.754 1.00 0.00 C ATOM 772 C CYS A 48 -11.809 7.206 -15.355 1.00 0.00 C ATOM 773 O CYS A 48 -11.916 5.982 -15.291 1.00 0.00 O ATOM 774 CB CYS A 48 -10.123 9.165 -15.465 1.00 0.00 C ATOM 775 SG CYS A 48 -9.612 8.829 -17.165 1.00 0.00 S ATOM 0 H CYS A 48 -9.580 6.214 -15.532 1.00 0.00 H new ATOM 0 HA CYS A 48 -10.830 8.190 -13.743 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -10.940 9.887 -15.464 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.297 9.618 -14.917 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.481 8.188 -17.160 1.00 0.00 H new ATOM 781 N ASN A 49 -12.744 7.959 -15.947 1.00 0.00 N ATOM 782 CA ASN A 49 -13.968 7.387 -16.518 1.00 0.00 C ATOM 783 C ASN A 49 -13.639 6.289 -17.537 1.00 0.00 C ATOM 784 O ASN A 49 -14.239 5.215 -17.485 1.00 0.00 O ATOM 785 CB ASN A 49 -14.814 8.496 -17.175 1.00 0.00 C ATOM 786 CG ASN A 49 -16.246 8.076 -17.519 1.00 0.00 C ATOM 787 OD1 ASN A 49 -17.176 8.844 -17.294 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.483 6.882 -18.039 1.00 0.00 N ATOM 0 H ASN A 49 -12.675 8.972 -16.043 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.544 6.934 -15.711 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.851 9.354 -16.504 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.315 8.825 -18.087 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.439 6.600 -18.253 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.709 6.244 -18.226 1.00 0.00 H new ATOM 795 N ALA A 50 -12.713 6.562 -18.462 1.00 0.00 N ATOM 796 CA ALA A 50 -12.384 5.668 -19.575 1.00 0.00 C ATOM 797 C ALA A 50 -10.881 5.594 -19.894 1.00 0.00 C ATOM 798 O ALA A 50 -10.465 4.630 -20.537 1.00 0.00 O ATOM 799 CB ALA A 50 -13.167 6.115 -20.816 1.00 0.00 C ATOM 0 H ALA A 50 -12.164 7.422 -18.458 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.670 4.661 -19.272 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.930 5.457 -21.652 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.236 6.068 -20.608 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.892 7.138 -21.071 1.00 0.00 H new ATOM 805 N GLY A 51 -10.064 6.563 -19.457 1.00 0.00 N ATOM 806 CA GLY A 51 -8.604 6.490 -19.569 1.00 0.00 C ATOM 807 C GLY A 51 -7.915 7.837 -19.800 1.00 0.00 C ATOM 808 O GLY A 51 -6.763 7.989 -19.395 1.00 0.00 O ATOM 0 H GLY A 51 -10.399 7.419 -19.016 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.205 6.044 -18.658 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.349 5.820 -20.390 1.00 0.00 H new ATOM 812 N ARG A 52 -8.587 8.823 -20.413 1.00 0.00 N ATOM 813 CA ARG A 52 -7.945 10.068 -20.865 1.00 0.00 C ATOM 814 C ARG A 52 -7.234 10.825 -19.761 1.00 0.00 C ATOM 815 O ARG A 52 -6.035 11.040 -19.888 1.00 0.00 O ATOM 816 CB ARG A 52 -8.935 10.982 -21.607 1.00 0.00 C ATOM 817 CG ARG A 52 -9.450 10.366 -22.919 1.00 0.00 C ATOM 818 CD ARG A 52 -10.244 11.372 -23.766 1.00 0.00 C ATOM 819 NE ARG A 52 -11.467 11.845 -23.085 1.00 0.00 N ATOM 820 CZ ARG A 52 -11.650 13.032 -22.490 1.00 0.00 C ATOM 821 NH1 ARG A 52 -10.668 13.931 -22.430 1.00 0.00 N ATOM 822 NH2 ARG A 52 -12.828 13.315 -21.943 1.00 0.00 N ATOM 0 H ARG A 52 -9.587 8.781 -20.609 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.171 9.754 -21.566 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.782 11.197 -20.955 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.450 11.934 -21.824 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.605 9.994 -23.499 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.083 9.508 -22.691 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.609 12.226 -24.000 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.516 10.908 -24.714 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.256 11.199 -23.066 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.758 13.721 -22.841 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.826 14.829 -21.973 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.584 12.631 -21.978 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.976 14.216 -21.488 1.00 0.00 H new ATOM 836 N GLN A 53 -7.928 11.220 -18.690 1.00 0.00 N ATOM 837 CA GLN A 53 -7.309 12.041 -17.644 1.00 0.00 C ATOM 838 C GLN A 53 -6.106 11.326 -17.027 1.00 0.00 C ATOM 839 O GLN A 53 -5.100 11.962 -16.727 1.00 0.00 O ATOM 840 CB GLN A 53 -8.301 12.432 -16.530 1.00 0.00 C ATOM 841 CG GLN A 53 -9.470 13.392 -16.823 1.00 0.00 C ATOM 842 CD GLN A 53 -9.156 14.578 -17.735 1.00 0.00 C ATOM 843 OE1 GLN A 53 -9.213 15.731 -17.320 1.00 0.00 O ATOM 844 NE2 GLN A 53 -8.852 14.325 -18.997 1.00 0.00 N ATOM 0 H GLN A 53 -8.907 10.988 -18.524 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.979 12.958 -18.133 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.733 11.508 -16.145 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.718 12.873 -15.721 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.280 12.818 -17.273 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.842 13.778 -15.874 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.808 13.361 -19.328 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.661 15.094 -19.640 1.00 0.00 H new ATOM 853 N SER A 54 -6.192 10.011 -16.858 1.00 0.00 N ATOM 854 CA SER A 54 -5.130 9.217 -16.256 1.00 0.00 C ATOM 855 C SER A 54 -3.938 9.037 -17.202 1.00 0.00 C ATOM 856 O SER A 54 -2.795 9.169 -16.767 1.00 0.00 O ATOM 857 CB SER A 54 -5.709 7.884 -15.781 1.00 0.00 C ATOM 858 OG SER A 54 -6.798 7.434 -16.575 1.00 0.00 O ATOM 0 H SER A 54 -7.006 9.464 -17.137 1.00 0.00 H new ATOM 0 HA SER A 54 -4.734 9.750 -15.392 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.923 7.129 -15.792 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.039 7.986 -14.747 1.00 0.00 H new ATOM 0 HG SER A 54 -6.615 7.623 -17.519 1.00 0.00 H new ATOM 864 N GLY A 55 -4.178 8.795 -18.495 1.00 0.00 N ATOM 865 CA GLY A 55 -3.119 8.707 -19.493 1.00 0.00 C ATOM 866 C GLY A 55 -2.424 10.058 -19.645 1.00 0.00 C ATOM 867 O GLY A 55 -1.196 10.131 -19.634 1.00 0.00 O ATOM 0 H GLY A 55 -5.114 8.655 -18.874 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.394 7.948 -19.199 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.536 8.395 -20.450 1.00 0.00 H new ATOM 871 N GLN A 56 -3.211 11.135 -19.694 1.00 0.00 N ATOM 872 CA GLN A 56 -2.734 12.510 -19.678 1.00 0.00 C ATOM 873 C GLN A 56 -1.869 12.766 -18.437 1.00 0.00 C ATOM 874 O GLN A 56 -0.788 13.346 -18.552 1.00 0.00 O ATOM 875 CB GLN A 56 -3.951 13.454 -19.742 1.00 0.00 C ATOM 876 CG GLN A 56 -4.451 13.625 -21.185 1.00 0.00 C ATOM 877 CD GLN A 56 -5.690 14.518 -21.250 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.823 14.050 -21.175 1.00 0.00 O ATOM 879 NE2 GLN A 56 -5.511 15.822 -21.390 1.00 0.00 N ATOM 0 H GLN A 56 -4.227 11.067 -19.747 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.100 12.700 -20.544 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.754 13.057 -19.121 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.681 14.427 -19.331 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.658 14.057 -21.796 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.684 12.648 -21.608 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.567 16.203 -21.452 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.317 16.445 -21.436 1.00 0.00 H new ATOM 888 N ALA A 57 -2.295 12.293 -17.261 1.00 0.00 N ATOM 889 CA ALA A 57 -1.543 12.476 -16.027 1.00 0.00 C ATOM 890 C ALA A 57 -0.178 11.783 -16.065 1.00 0.00 C ATOM 891 O ALA A 57 0.752 12.282 -15.433 1.00 0.00 O ATOM 892 CB ALA A 57 -2.360 12.023 -14.816 1.00 0.00 C ATOM 0 H ALA A 57 -3.166 11.776 -17.144 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.349 13.544 -15.929 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.776 12.170 -13.907 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.277 12.609 -14.756 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.610 10.967 -14.920 1.00 0.00 H new ATOM 898 N LYS A 58 -0.001 10.682 -16.809 1.00 0.00 N ATOM 899 CA LYS A 58 1.319 10.051 -16.908 1.00 0.00 C ATOM 900 C LYS A 58 2.358 11.015 -17.478 1.00 0.00 C ATOM 901 O LYS A 58 3.523 10.926 -17.090 1.00 0.00 O ATOM 902 CB LYS A 58 1.301 8.755 -17.737 1.00 0.00 C ATOM 903 CG LYS A 58 0.421 7.656 -17.122 1.00 0.00 C ATOM 904 CD LYS A 58 0.804 6.248 -17.606 1.00 0.00 C ATOM 905 CE LYS A 58 0.564 6.040 -19.110 1.00 0.00 C ATOM 906 NZ LYS A 58 1.105 4.742 -19.589 1.00 0.00 N ATOM 0 H LYS A 58 -0.739 10.219 -17.340 1.00 0.00 H new ATOM 0 HA LYS A 58 1.599 9.787 -15.888 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.943 8.979 -18.742 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.320 8.382 -17.838 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.502 7.697 -16.036 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.622 7.850 -17.371 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.856 6.068 -17.384 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.229 5.510 -17.047 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.506 6.084 -19.315 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.029 6.854 -19.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.921 4.644 -20.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.130 4.709 -19.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.643 3.963 -19.077 1.00 0.00 H new ATOM 920 N GLU A 59 1.972 11.931 -18.370 1.00 0.00 N ATOM 921 CA GLU A 59 2.920 12.843 -19.001 1.00 0.00 C ATOM 922 C GLU A 59 3.485 13.806 -17.954 1.00 0.00 C ATOM 923 O GLU A 59 4.704 13.884 -17.781 1.00 0.00 O ATOM 924 CB GLU A 59 2.262 13.608 -20.162 1.00 0.00 C ATOM 925 CG GLU A 59 1.759 12.674 -21.273 1.00 0.00 C ATOM 926 CD GLU A 59 1.261 13.466 -22.495 1.00 0.00 C ATOM 927 OE1 GLU A 59 2.068 13.746 -23.413 1.00 0.00 O ATOM 928 OE2 GLU A 59 0.058 13.801 -22.567 1.00 0.00 O ATOM 0 H GLU A 59 1.005 12.058 -18.670 1.00 0.00 H new ATOM 0 HA GLU A 59 3.741 12.262 -19.420 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.427 14.194 -19.779 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.980 14.312 -20.582 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.562 12.003 -21.576 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.951 12.051 -20.888 1.00 0.00 H new ATOM 935 N ILE A 60 2.616 14.501 -17.209 1.00 0.00 N ATOM 936 CA ILE A 60 3.052 15.426 -16.174 1.00 0.00 C ATOM 937 C ILE A 60 3.752 14.672 -15.042 1.00 0.00 C ATOM 938 O ILE A 60 4.742 15.170 -14.521 1.00 0.00 O ATOM 939 CB ILE A 60 1.879 16.303 -15.683 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.739 15.469 -15.058 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.384 17.185 -16.846 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.496 16.259 -14.629 1.00 0.00 C ATOM 0 H ILE A 60 1.603 14.434 -17.310 1.00 0.00 H new ATOM 0 HA ILE A 60 3.787 16.111 -16.597 1.00 0.00 H new ATOM 0 HB ILE A 60 2.239 16.947 -14.880 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.431 14.710 -15.777 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.132 14.943 -14.188 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.556 17.806 -16.505 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.198 17.823 -17.191 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.048 16.551 -17.666 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.234 15.578 -14.204 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.212 17.000 -13.881 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.924 16.763 -15.495 1.00 0.00 H new ATOM 954 N LEU A 61 3.312 13.459 -14.692 1.00 0.00 N ATOM 955 CA LEU A 61 3.941 12.687 -13.626 1.00 0.00 C ATOM 956 C LEU A 61 5.356 12.269 -14.012 1.00 0.00 C ATOM 957 O LEU A 61 6.245 12.299 -13.160 1.00 0.00 O ATOM 958 CB LEU A 61 3.084 11.464 -13.264 1.00 0.00 C ATOM 959 CG LEU A 61 1.824 11.849 -12.467 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.827 10.687 -12.391 1.00 0.00 C ATOM 961 CD2 LEU A 61 2.177 12.277 -11.043 1.00 0.00 C ATOM 0 H LEU A 61 2.520 12.993 -15.135 1.00 0.00 H new ATOM 0 HA LEU A 61 4.013 13.324 -12.744 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.790 10.946 -14.177 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.682 10.765 -12.679 1.00 0.00 H new ATOM 0 HG LEU A 61 1.367 12.683 -12.999 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.049 10.996 -11.821 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.523 10.402 -13.398 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.298 9.835 -11.900 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.266 12.542 -10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.675 11.455 -10.529 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.843 13.140 -11.077 1.00 0.00 H new ATOM 973 N SER A 62 5.589 11.931 -15.282 1.00 0.00 N ATOM 974 CA SER A 62 6.926 11.637 -15.777 1.00 0.00 C ATOM 975 C SER A 62 7.808 12.887 -15.682 1.00 0.00 C ATOM 976 O SER A 62 8.952 12.794 -15.237 1.00 0.00 O ATOM 977 CB SER A 62 6.854 11.114 -17.217 1.00 0.00 C ATOM 978 OG SER A 62 6.019 9.972 -17.307 1.00 0.00 O ATOM 0 H SER A 62 4.858 11.855 -15.989 1.00 0.00 H new ATOM 0 HA SER A 62 7.375 10.859 -15.159 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.474 11.898 -17.873 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.856 10.864 -17.566 1.00 0.00 H new ATOM 0 HG SER A 62 5.092 10.229 -17.122 1.00 0.00 H new ATOM 984 N GLU A 63 7.278 14.066 -16.034 1.00 0.00 N ATOM 985 CA GLU A 63 8.011 15.328 -15.941 1.00 0.00 C ATOM 986 C GLU A 63 8.320 15.675 -14.473 1.00 0.00 C ATOM 987 O GLU A 63 9.423 16.126 -14.159 1.00 0.00 O ATOM 988 CB GLU A 63 7.201 16.432 -16.642 1.00 0.00 C ATOM 989 CG GLU A 63 7.984 17.746 -16.760 1.00 0.00 C ATOM 990 CD GLU A 63 7.201 18.800 -17.562 1.00 0.00 C ATOM 991 OE1 GLU A 63 7.359 18.870 -18.803 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.438 19.590 -16.960 1.00 0.00 O ATOM 0 H GLU A 63 6.328 14.168 -16.391 1.00 0.00 H new ATOM 0 HA GLU A 63 8.973 15.235 -16.446 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.914 16.092 -17.637 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.279 16.610 -16.088 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.200 18.132 -15.764 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.942 17.557 -17.244 1.00 0.00 H new ATOM 999 N MET A 64 7.374 15.412 -13.565 1.00 0.00 N ATOM 1000 CA MET A 64 7.521 15.589 -12.120 1.00 0.00 C ATOM 1001 C MET A 64 8.480 14.552 -11.508 1.00 0.00 C ATOM 1002 O MET A 64 8.890 14.712 -10.357 1.00 0.00 O ATOM 1003 CB MET A 64 6.136 15.534 -11.448 1.00 0.00 C ATOM 1004 CG MET A 64 5.263 16.744 -11.818 1.00 0.00 C ATOM 1005 SD MET A 64 3.497 16.580 -11.419 1.00 0.00 S ATOM 1006 CE MET A 64 3.532 16.912 -9.638 1.00 0.00 C ATOM 0 H MET A 64 6.454 15.058 -13.827 1.00 0.00 H new ATOM 0 HA MET A 64 7.965 16.568 -11.939 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.627 14.617 -11.744 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.260 15.495 -10.366 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.654 17.623 -11.306 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.361 16.928 -12.888 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.529 17.166 -9.295 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.883 16.026 -9.109 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.206 17.745 -9.436 1.00 0.00 H new ATOM 1016 N GLY A 65 8.869 13.515 -12.259 1.00 0.00 N ATOM 1017 CA GLY A 65 9.929 12.586 -11.891 1.00 0.00 C ATOM 1018 C GLY A 65 9.422 11.290 -11.258 1.00 0.00 C ATOM 1019 O GLY A 65 10.232 10.550 -10.695 1.00 0.00 O ATOM 0 H GLY A 65 8.442 13.299 -13.160 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.510 12.342 -12.780 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.606 13.079 -11.193 1.00 0.00 H new ATOM 1023 N TYR A 66 8.117 11.000 -11.313 1.00 0.00 N ATOM 1024 CA TYR A 66 7.609 9.698 -10.891 1.00 0.00 C ATOM 1025 C TYR A 66 7.967 8.648 -11.946 1.00 0.00 C ATOM 1026 O TYR A 66 8.051 8.951 -13.139 1.00 0.00 O ATOM 1027 CB TYR A 66 6.094 9.721 -10.658 1.00 0.00 C ATOM 1028 CG TYR A 66 5.649 10.590 -9.495 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.457 11.976 -9.657 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.446 10.003 -8.232 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.074 12.774 -8.561 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.102 10.799 -7.128 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.901 12.187 -7.286 1.00 0.00 C ATOM 1034 OH TYR A 66 4.542 12.952 -6.218 1.00 0.00 O ATOM 0 H TYR A 66 7.401 11.647 -11.644 1.00 0.00 H new ATOM 0 HA TYR A 66 8.077 9.444 -9.940 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.605 10.073 -11.566 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.750 8.701 -10.486 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.604 12.429 -10.626 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.555 8.935 -8.112 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.913 13.834 -8.694 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.991 10.347 -6.153 1.00 0.00 H new ATOM 0 HH TYR A 66 4.420 12.380 -5.432 1.00 0.00 H new ATOM 1044 N THR A 67 8.128 7.403 -11.501 1.00 0.00 N ATOM 1045 CA THR A 67 8.675 6.306 -12.300 1.00 0.00 C ATOM 1046 C THR A 67 7.907 4.988 -12.065 1.00 0.00 C ATOM 1047 O THR A 67 8.330 3.931 -12.538 1.00 0.00 O ATOM 1048 CB THR A 67 10.184 6.189 -11.974 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.419 6.403 -10.589 1.00 0.00 O ATOM 1050 CG2 THR A 67 11.010 7.229 -12.740 1.00 0.00 C ATOM 0 H THR A 67 7.876 7.122 -10.553 1.00 0.00 H new ATOM 0 HA THR A 67 8.554 6.516 -13.363 1.00 0.00 H new ATOM 0 HB THR A 67 10.485 5.183 -12.268 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.378 6.323 -10.404 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.064 7.116 -12.485 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.878 7.081 -13.812 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.677 8.230 -12.468 1.00 0.00 H new ATOM 1058 N HIS A 68 6.772 5.038 -11.350 1.00 0.00 N ATOM 1059 CA HIS A 68 5.987 3.876 -10.920 1.00 0.00 C ATOM 1060 C HIS A 68 4.496 4.137 -11.185 1.00 0.00 C ATOM 1061 O HIS A 68 3.636 3.818 -10.364 1.00 0.00 O ATOM 1062 CB HIS A 68 6.270 3.560 -9.437 1.00 0.00 C ATOM 1063 CG HIS A 68 7.710 3.240 -9.115 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.225 2.002 -8.798 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.741 4.136 -9.029 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.534 2.151 -8.530 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.901 3.440 -8.660 1.00 0.00 N ATOM 0 H HIS A 68 6.363 5.922 -11.046 1.00 0.00 H new ATOM 0 HA HIS A 68 6.279 2.997 -11.495 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.960 4.413 -8.834 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.650 2.715 -9.137 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.673 5.198 -9.214 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.199 1.348 -8.249 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.833 3.830 -8.519 1.00 0.00 H new ATOM 1075 N VAL A 69 4.179 4.774 -12.311 1.00 0.00 N ATOM 1076 CA VAL A 69 2.818 5.146 -12.684 1.00 0.00 C ATOM 1077 C VAL A 69 2.416 4.257 -13.859 1.00 0.00 C ATOM 1078 O VAL A 69 3.215 4.054 -14.778 1.00 0.00 O ATOM 1079 CB VAL A 69 2.769 6.644 -13.065 1.00 0.00 C ATOM 1080 CG1 VAL A 69 1.327 7.119 -13.290 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.424 7.540 -12.002 1.00 0.00 C ATOM 0 H VAL A 69 4.876 5.051 -13.002 1.00 0.00 H new ATOM 0 HA VAL A 69 2.124 5.003 -11.856 1.00 0.00 H new ATOM 0 HB VAL A 69 3.334 6.733 -13.993 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.329 8.176 -13.556 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.876 6.543 -14.098 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.750 6.976 -12.376 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.364 8.582 -12.317 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.904 7.417 -11.052 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.470 7.257 -11.882 1.00 0.00 H new ATOM 1091 N GLU A 70 1.181 3.753 -13.862 1.00 0.00 N ATOM 1092 CA GLU A 70 0.611 3.098 -15.030 1.00 0.00 C ATOM 1093 C GLU A 70 -0.894 3.350 -15.040 1.00 0.00 C ATOM 1094 O GLU A 70 -1.529 3.424 -13.983 1.00 0.00 O ATOM 1095 CB GLU A 70 0.952 1.596 -15.041 1.00 0.00 C ATOM 1096 CG GLU A 70 0.472 0.860 -16.306 1.00 0.00 C ATOM 1097 CD GLU A 70 1.016 1.476 -17.610 1.00 0.00 C ATOM 1098 OE1 GLU A 70 0.487 2.527 -18.046 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.965 0.915 -18.203 1.00 0.00 O ATOM 0 H GLU A 70 0.555 3.789 -13.058 1.00 0.00 H new ATOM 0 HA GLU A 70 1.042 3.514 -15.941 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.032 1.477 -14.950 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.505 1.125 -14.166 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.779 -0.184 -16.249 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.618 0.871 -16.333 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.462 3.495 -16.239 1.00 0.00 N ATOM 1107 CA ASN A 71 -2.896 3.613 -16.411 1.00 0.00 C ATOM 1108 C ASN A 71 -3.507 2.219 -16.337 1.00 0.00 C ATOM 1109 O ASN A 71 -3.361 1.426 -17.268 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.275 4.327 -17.716 1.00 0.00 C ATOM 1111 CG ASN A 71 -4.784 4.255 -17.956 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.233 3.917 -19.046 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.599 4.538 -16.949 1.00 0.00 N ATOM 0 H ASN A 71 -0.935 3.533 -17.111 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.296 4.235 -15.611 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.959 5.369 -17.671 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.747 3.870 -18.553 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.609 4.475 -17.077 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.216 4.818 -16.046 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.171 1.922 -15.220 1.00 0.00 N ATOM 1121 CA ALA A 72 -4.767 0.615 -14.981 1.00 0.00 C ATOM 1122 C ALA A 72 -5.950 0.333 -15.918 1.00 0.00 C ATOM 1123 O ALA A 72 -6.227 -0.831 -16.211 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.214 0.532 -13.521 1.00 0.00 C ATOM 0 H ALA A 72 -4.309 2.584 -14.457 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.014 -0.145 -15.189 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.662 -0.444 -13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.352 0.668 -12.868 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.948 1.313 -13.320 1.00 0.00 H new ATOM 1130 N GLY A 73 -6.653 1.373 -16.377 1.00 0.00 N ATOM 1131 CA GLY A 73 -7.840 1.254 -17.210 1.00 0.00 C ATOM 1132 C GLY A 73 -8.726 2.475 -17.003 1.00 0.00 C ATOM 1133 O GLY A 73 -8.226 3.578 -16.764 1.00 0.00 O ATOM 0 H GLY A 73 -6.402 2.340 -16.172 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.555 1.171 -18.259 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.387 0.346 -16.955 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.039 2.269 -17.047 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.029 3.260 -16.665 1.00 0.00 C ATOM 1139 C GLY A 74 -12.135 2.578 -15.870 1.00 0.00 C ATOM 1140 O GLY A 74 -12.227 1.349 -15.860 1.00 0.00 O ATOM 0 H GLY A 74 -10.449 1.388 -17.357 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.565 4.044 -16.067 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.444 3.739 -17.552 1.00 0.00 H new ATOM 1144 N LEU A 75 -12.966 3.372 -15.195 1.00 0.00 N ATOM 1145 CA LEU A 75 -13.990 2.920 -14.254 1.00 0.00 C ATOM 1146 C LEU A 75 -14.848 1.814 -14.868 1.00 0.00 C ATOM 1147 O LEU A 75 -15.060 0.772 -14.249 1.00 0.00 O ATOM 1148 CB LEU A 75 -14.837 4.147 -13.847 1.00 0.00 C ATOM 1149 CG LEU A 75 -15.838 3.967 -12.685 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -17.063 3.105 -13.002 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -15.168 3.462 -11.409 1.00 0.00 C ATOM 0 H LEU A 75 -12.943 4.387 -15.293 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.526 2.489 -13.367 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.154 4.954 -13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.395 4.477 -14.724 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.211 4.978 -12.524 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.701 3.042 -12.121 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.621 3.554 -13.823 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.739 2.104 -13.288 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.916 3.353 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.700 2.496 -11.601 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.409 4.176 -11.090 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.300 2.028 -16.107 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.221 1.134 -16.808 1.00 0.00 C ATOM 1165 C LYS A 76 -15.566 -0.189 -17.242 1.00 0.00 C ATOM 1166 O LYS A 76 -16.257 -1.031 -17.817 1.00 0.00 O ATOM 1167 CB LYS A 76 -16.826 1.871 -18.021 1.00 0.00 C ATOM 1168 CG LYS A 76 -17.517 3.214 -17.705 1.00 0.00 C ATOM 1169 CD LYS A 76 -18.743 3.092 -16.785 1.00 0.00 C ATOM 1170 CE LYS A 76 -19.369 4.482 -16.580 1.00 0.00 C ATOM 1171 NZ LYS A 76 -20.558 4.462 -15.692 1.00 0.00 N ATOM 0 H LYS A 76 -15.030 2.842 -16.659 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.010 0.861 -16.107 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.033 2.052 -18.747 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.551 1.213 -18.499 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.792 3.882 -17.239 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.824 3.681 -18.641 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.474 2.413 -17.224 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.450 2.668 -15.825 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.620 5.152 -16.158 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.654 4.892 -17.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.090 5.349 -15.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.168 3.659 -15.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.251 4.364 -14.703 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.266 -0.390 -16.999 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.499 -1.543 -17.482 1.00 0.00 C ATOM 1187 C ASP A 77 -12.704 -2.231 -16.366 1.00 0.00 C ATOM 1188 O ASP A 77 -12.523 -3.449 -16.412 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.549 -1.087 -18.596 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.682 -2.249 -19.108 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.205 -3.127 -19.831 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.464 -2.268 -18.823 1.00 0.00 O ATOM 0 H ASP A 77 -13.705 0.260 -16.448 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.209 -2.276 -17.864 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.127 -0.672 -19.421 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.907 -0.289 -18.224 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.263 -1.485 -15.346 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.588 -2.022 -14.164 1.00 0.00 C ATOM 1199 C ILE A 78 -12.538 -3.007 -13.465 1.00 0.00 C ATOM 1200 O ILE A 78 -13.722 -2.712 -13.282 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.125 -0.841 -13.273 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -9.919 -0.145 -13.947 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -10.742 -1.283 -11.848 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.649 1.267 -13.421 1.00 0.00 C ATOM 0 H ILE A 78 -12.369 -0.471 -15.321 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.689 -2.583 -14.419 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.964 -0.152 -13.175 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.028 -0.755 -13.797 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.094 -0.095 -15.022 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.426 -0.414 -11.270 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.604 -1.745 -11.366 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.925 -2.003 -11.898 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.789 1.691 -13.940 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.524 1.894 -13.596 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.442 1.223 -12.352 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.023 -4.176 -13.071 1.00 0.00 N ATOM 1217 CA ALA A 79 -12.828 -5.267 -12.523 1.00 0.00 C ATOM 1218 C ALA A 79 -13.182 -5.082 -11.038 1.00 0.00 C ATOM 1219 O ALA A 79 -14.071 -5.775 -10.538 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.073 -6.589 -12.717 1.00 0.00 C ATOM 0 H ALA A 79 -11.027 -4.391 -13.125 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.774 -5.273 -13.064 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.665 -7.409 -12.311 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.901 -6.757 -13.780 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.116 -6.541 -12.197 1.00 0.00 H new ATOM 1226 N MET A 80 -12.486 -4.192 -10.320 1.00 0.00 N ATOM 1227 CA MET A 80 -12.701 -3.965 -8.888 1.00 0.00 C ATOM 1228 C MET A 80 -14.111 -3.416 -8.602 1.00 0.00 C ATOM 1229 O MET A 80 -14.730 -2.837 -9.502 1.00 0.00 O ATOM 1230 CB MET A 80 -11.648 -2.990 -8.340 1.00 0.00 C ATOM 1231 CG MET A 80 -10.283 -3.659 -8.159 1.00 0.00 C ATOM 1232 SD MET A 80 -8.986 -2.568 -7.513 1.00 0.00 S ATOM 1233 CE MET A 80 -9.617 -2.176 -5.856 1.00 0.00 C ATOM 0 H MET A 80 -11.753 -3.606 -10.720 1.00 0.00 H new ATOM 0 HA MET A 80 -12.605 -4.928 -8.387 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.549 -2.144 -9.020 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.986 -2.592 -7.383 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.396 -4.507 -7.484 1.00 0.00 H new ATOM 0 HG3 MET A 80 -9.958 -4.058 -9.120 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.838 -1.679 -5.278 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.481 -1.517 -5.942 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.911 -3.096 -5.352 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.618 -3.560 -7.360 1.00 0.00 N ATOM 1244 CA PRO A 81 -15.837 -2.899 -6.903 1.00 0.00 C ATOM 1245 C PRO A 81 -15.792 -1.376 -7.059 1.00 0.00 C ATOM 1246 O PRO A 81 -14.724 -0.760 -7.119 1.00 0.00 O ATOM 1247 CB PRO A 81 -15.997 -3.281 -5.425 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.212 -4.582 -5.296 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.072 -4.388 -6.292 1.00 0.00 C ATOM 0 HA PRO A 81 -16.681 -3.224 -7.512 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.600 -2.508 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.045 -3.419 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.842 -4.732 -4.282 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.823 -5.450 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.217 -3.904 -5.819 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.723 -5.345 -6.679 1.00 0.00 H new ATOM 1257 N LYS A 82 -16.972 -0.756 -7.038 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.151 0.688 -7.137 1.00 0.00 C ATOM 1259 C LYS A 82 -18.013 1.156 -5.974 1.00 0.00 C ATOM 1260 O LYS A 82 -18.711 0.357 -5.345 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.803 1.085 -8.479 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.934 0.820 -9.719 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.134 -0.566 -10.340 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.161 -0.750 -11.511 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.058 -2.169 -11.912 1.00 0.00 N ATOM 0 H LYS A 82 -17.853 -1.261 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.173 1.168 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.741 0.541 -8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -18.052 2.146 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.153 1.578 -10.471 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.885 0.936 -9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.967 -1.339 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.161 -0.675 -10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.495 -0.154 -12.360 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.176 -0.378 -11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.354 -2.265 -12.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.764 -2.740 -11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.983 -2.502 -12.253 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.994 2.459 -5.729 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.871 3.151 -4.798 1.00 0.00 C ATOM 1281 C VAL A 83 -19.427 4.368 -5.539 1.00 0.00 C ATOM 1282 O VAL A 83 -18.828 4.834 -6.515 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.118 3.506 -3.497 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -17.735 2.242 -2.711 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.852 4.338 -3.744 1.00 0.00 C ATOM 0 H VAL A 83 -17.339 3.088 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.702 2.523 -4.475 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.813 4.111 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.206 2.526 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.637 1.689 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.089 1.614 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.368 4.555 -2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.167 3.778 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -17.121 5.273 -4.236 1.00 0.00 H new ATOM 1295 N LYS A 84 -20.593 4.857 -5.113 1.00 0.00 N ATOM 1296 CA LYS A 84 -21.351 5.883 -5.824 1.00 0.00 C ATOM 1297 C LYS A 84 -21.971 6.862 -4.831 1.00 0.00 C ATOM 1298 O LYS A 84 -21.993 6.600 -3.624 1.00 0.00 O ATOM 1299 CB LYS A 84 -22.437 5.229 -6.704 1.00 0.00 C ATOM 1300 CG LYS A 84 -21.856 4.396 -7.862 1.00 0.00 C ATOM 1301 CD LYS A 84 -22.923 3.914 -8.856 1.00 0.00 C ATOM 1302 CE LYS A 84 -23.918 2.938 -8.210 1.00 0.00 C ATOM 1303 NZ LYS A 84 -24.918 2.430 -9.183 1.00 0.00 N ATOM 0 H LYS A 84 -21.042 4.546 -4.252 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.674 6.438 -6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -23.063 4.589 -6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -23.083 6.007 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -21.116 4.993 -8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -21.333 3.532 -7.453 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -23.464 4.774 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -22.436 3.428 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -23.373 2.098 -7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -24.433 3.437 -7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -25.568 1.775 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -25.457 3.228 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -24.430 1.930 -9.953 1.00 0.00 H new ATOM 1317 N GLY A 85 -22.496 7.975 -5.336 1.00 0.00 N ATOM 1318 CA GLY A 85 -23.157 9.006 -4.551 1.00 0.00 C ATOM 1319 C GLY A 85 -23.809 10.014 -5.484 1.00 0.00 C ATOM 1320 O GLY A 85 -24.231 9.618 -6.591 1.00 0.00 O ATOM 1321 OXT GLY A 85 -23.909 11.197 -5.103 1.00 0.00 O ATOM 0 H GLY A 85 -22.471 8.188 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -23.908 8.557 -3.901 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -22.435 9.506 -3.906 1.00 0.00 H new TER 1325 GLY A 85