USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 106 SER OG : rot 180:sc= 0.352 USER MOD Set 1.2: A 107 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0639) USER MOD Set 2.1: A 71 ASN : amide:sc= -0.638 K(o=-4.9,f=-9.4!) USER MOD Set 2.2: A 86 THR OG1 : rot -30:sc= -4.26! USER MOD Set 3.1: A 62 HIS : no HE2:sc= -9.46! C(o=-9.5!,f=-15!) USER MOD Set 3.2: A 102 GLN : amide:sc= 0 X(o=-9.5,f=-9.6) USER MOD Set 4.1: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 38 SER OG : rot -35:sc= 0.556 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0209 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0605 K(o=-0.061,f=-1.5!) USER MOD Single : A 20 ASN : amide:sc= -3.6! C(o=-3.6!,f=-3.6!) USER MOD Single : A 21 SER OG : rot -146:sc= -1.32! USER MOD Single : A 25 SER OG : rot 180:sc= -1.39 USER MOD Single : A 27 THR OG1 : rot -170:sc= -0.203 USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= -2.58 (180deg=-3.65!) USER MOD Single : A 36 ASN :FLIP amide:sc= -2.16! F(o=-2.9,f=-2.2!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.64 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 167:sc= -0.455 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.87 F(o=-5!,f=-1.9) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -3.96! C(o=-6.4!,f=-4!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot -98:sc= 1.1 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -10.3! C(o=-10!,f=-11!) USER MOD Single : A 100 LYS NZ :NH3+ -149:sc= -5.52! (180deg=-8.12!) USER MOD Single : A 103 SER OG : rot 180:sc= 0.00912 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.513 -9.295 -16.545 1.00 0.00 N ATOM 2 CA GLY A 1 18.594 -9.119 -15.068 1.00 0.00 C ATOM 3 C GLY A 1 17.441 -9.784 -14.342 1.00 0.00 C ATOM 4 O GLY A 1 16.354 -9.940 -14.899 1.00 0.00 O ATOM 0 H1 GLY A 1 19.257 -9.951 -16.858 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.581 -9.682 -16.798 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.644 -8.375 -17.012 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.535 -9.534 -14.707 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.603 -8.055 -14.832 1.00 0.00 H new ATOM 10 N SER A 2 17.677 -10.175 -13.094 1.00 0.00 N ATOM 11 CA SER A 2 16.649 -10.826 -12.289 1.00 0.00 C ATOM 12 C SER A 2 16.334 -10.007 -11.041 1.00 0.00 C ATOM 13 O SER A 2 17.159 -9.895 -10.135 1.00 0.00 O ATOM 14 CB SER A 2 17.100 -12.232 -11.889 1.00 0.00 C ATOM 15 OG SER A 2 17.081 -13.110 -13.001 1.00 0.00 O ATOM 0 H SER A 2 18.571 -10.053 -12.618 1.00 0.00 H new ATOM 0 HA SER A 2 15.744 -10.899 -12.892 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.106 -12.190 -11.472 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.447 -12.618 -11.106 1.00 0.00 H new ATOM 0 HG SER A 2 17.375 -14.001 -12.719 1.00 0.00 H new ATOM 21 N SER A 3 15.135 -9.434 -11.004 1.00 0.00 N ATOM 22 CA SER A 3 14.710 -8.625 -9.868 1.00 0.00 C ATOM 23 C SER A 3 13.268 -8.155 -10.044 1.00 0.00 C ATOM 24 O SER A 3 13.020 -7.065 -10.557 1.00 0.00 O ATOM 25 CB SER A 3 15.634 -7.418 -9.701 1.00 0.00 C ATOM 26 OG SER A 3 15.804 -7.090 -8.333 1.00 0.00 O ATOM 0 H SER A 3 14.441 -9.515 -11.747 1.00 0.00 H new ATOM 0 HA SER A 3 14.766 -9.244 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.604 -7.634 -10.149 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.220 -6.562 -10.234 1.00 0.00 H new ATOM 0 HG SER A 3 16.400 -6.316 -8.254 1.00 0.00 H new ATOM 32 N PRO A 4 12.293 -8.978 -9.616 1.00 0.00 N ATOM 33 CA PRO A 4 10.871 -8.641 -9.730 1.00 0.00 C ATOM 34 C PRO A 4 10.550 -7.272 -9.134 1.00 0.00 C ATOM 35 O PRO A 4 11.194 -6.838 -8.177 1.00 0.00 O ATOM 36 CB PRO A 4 10.177 -9.747 -8.930 1.00 0.00 C ATOM 37 CG PRO A 4 11.123 -10.897 -8.975 1.00 0.00 C ATOM 38 CD PRO A 4 12.502 -10.298 -8.992 1.00 0.00 C ATOM 0 HA PRO A 4 10.549 -8.582 -10.770 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.985 -9.433 -7.904 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.214 -10.009 -9.369 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.990 -11.546 -8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.952 -11.509 -9.861 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.913 -10.207 -7.987 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.198 -10.909 -9.567 1.00 0.00 H new ATOM 46 N PRO A 5 9.547 -6.570 -9.691 1.00 0.00 N ATOM 47 CA PRO A 5 9.149 -5.244 -9.206 1.00 0.00 C ATOM 48 C PRO A 5 8.836 -5.244 -7.713 1.00 0.00 C ATOM 49 O PRO A 5 8.515 -6.283 -7.136 1.00 0.00 O ATOM 50 CB PRO A 5 7.886 -4.930 -10.015 1.00 0.00 C ATOM 51 CG PRO A 5 8.007 -5.757 -11.247 1.00 0.00 C ATOM 52 CD PRO A 5 8.727 -7.010 -10.835 1.00 0.00 C ATOM 0 HA PRO A 5 9.945 -4.510 -9.332 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.985 -5.183 -9.456 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.824 -3.869 -10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.025 -5.989 -11.659 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.560 -5.225 -12.021 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.031 -7.799 -10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.343 -7.404 -11.643 1.00 0.00 H new ATOM 60 N LYS A 6 8.928 -4.071 -7.095 1.00 0.00 N ATOM 61 CA LYS A 6 8.653 -3.935 -5.669 1.00 0.00 C ATOM 62 C LYS A 6 7.872 -2.681 -5.383 1.00 0.00 C ATOM 63 O LYS A 6 7.795 -1.773 -6.209 1.00 0.00 O ATOM 64 CB LYS A 6 9.951 -3.954 -4.859 1.00 0.00 C ATOM 65 CG LYS A 6 10.981 -2.942 -5.336 1.00 0.00 C ATOM 66 CD LYS A 6 12.070 -3.602 -6.166 1.00 0.00 C ATOM 67 CE LYS A 6 11.733 -3.578 -7.648 1.00 0.00 C ATOM 68 NZ LYS A 6 12.955 -3.471 -8.493 1.00 0.00 N ATOM 0 H LYS A 6 9.191 -3.201 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 6 8.046 -4.788 -5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.719 -3.758 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.385 -4.953 -4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.488 -2.171 -5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.429 -2.445 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.017 -3.089 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.204 -4.633 -5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.188 -4.484 -7.911 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.072 -2.737 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.683 -3.458 -9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.462 -2.594 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.574 -4.287 -8.313 1.00 0.00 H new ATOM 82 N PRO A 7 7.241 -2.639 -4.208 1.00 0.00 N ATOM 83 CA PRO A 7 6.421 -1.512 -3.825 1.00 0.00 C ATOM 84 C PRO A 7 7.207 -0.207 -3.777 1.00 0.00 C ATOM 85 O PRO A 7 8.404 -0.178 -4.062 1.00 0.00 O ATOM 86 CB PRO A 7 5.882 -1.888 -2.440 1.00 0.00 C ATOM 87 CG PRO A 7 6.051 -3.365 -2.345 1.00 0.00 C ATOM 88 CD PRO A 7 7.247 -3.699 -3.185 1.00 0.00 C ATOM 0 HA PRO A 7 5.629 -1.329 -4.551 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.433 -1.377 -1.651 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.835 -1.603 -2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.202 -3.675 -1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.163 -3.883 -2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.166 -3.690 -2.600 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.163 -4.690 -3.631 1.00 0.00 H new ATOM 96 N GLY A 8 6.516 0.876 -3.438 1.00 0.00 N ATOM 97 CA GLY A 8 7.151 2.178 -3.385 1.00 0.00 C ATOM 98 C GLY A 8 6.724 3.035 -4.556 1.00 0.00 C ATOM 99 O GLY A 8 7.434 3.955 -4.961 1.00 0.00 O ATOM 0 H GLY A 8 5.525 0.874 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.891 2.676 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.234 2.059 -3.392 1.00 0.00 H new ATOM 103 N ASP A 9 5.559 2.703 -5.115 1.00 0.00 N ATOM 104 CA ASP A 9 5.009 3.394 -6.260 1.00 0.00 C ATOM 105 C ASP A 9 3.796 2.624 -6.709 1.00 0.00 C ATOM 106 O ASP A 9 3.006 2.160 -5.886 1.00 0.00 O ATOM 107 CB ASP A 9 6.049 3.478 -7.371 1.00 0.00 C ATOM 108 CG ASP A 9 6.117 4.855 -8.001 1.00 0.00 C ATOM 109 OD1 ASP A 9 6.364 5.834 -7.265 1.00 0.00 O ATOM 110 OD2 ASP A 9 5.923 4.955 -9.231 1.00 0.00 O ATOM 0 H ASP A 9 4.974 1.940 -4.776 1.00 0.00 H new ATOM 0 HA ASP A 9 4.728 4.415 -6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.028 3.218 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.815 2.742 -8.140 1.00 0.00 H new ATOM 115 N ILE A 10 3.655 2.469 -7.990 1.00 0.00 N ATOM 116 CA ILE A 10 2.540 1.731 -8.508 1.00 0.00 C ATOM 117 C ILE A 10 2.827 0.232 -8.386 1.00 0.00 C ATOM 118 O ILE A 10 3.554 -0.365 -9.179 1.00 0.00 O ATOM 119 CB ILE A 10 2.290 2.149 -9.975 1.00 0.00 C ATOM 120 CG1 ILE A 10 0.792 2.203 -10.260 1.00 0.00 C ATOM 121 CG2 ILE A 10 2.994 1.234 -10.973 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.075 0.911 -9.926 1.00 0.00 C ATOM 0 H ILE A 10 4.293 2.841 -8.694 1.00 0.00 H new ATOM 0 HA ILE A 10 1.637 1.949 -7.937 1.00 0.00 H new ATOM 0 HB ILE A 10 2.717 3.143 -10.104 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.348 3.016 -9.686 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.637 2.435 -11.314 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.785 1.573 -11.988 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.069 1.261 -10.796 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.632 0.213 -10.849 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.986 1.015 -10.151 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.494 0.098 -10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.201 0.689 -8.866 1.00 0.00 H new ATOM 134 N PHE A 11 2.238 -0.357 -7.354 1.00 0.00 N ATOM 135 CA PHE A 11 2.389 -1.775 -7.066 1.00 0.00 C ATOM 136 C PHE A 11 1.031 -2.470 -7.117 1.00 0.00 C ATOM 137 O PHE A 11 0.042 -1.903 -6.675 1.00 0.00 O ATOM 138 CB PHE A 11 3.062 -1.951 -5.699 1.00 0.00 C ATOM 139 CG PHE A 11 2.915 -3.313 -5.114 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.270 -4.433 -5.840 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.423 -3.468 -3.832 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.135 -5.688 -5.296 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.284 -4.719 -3.284 1.00 0.00 C ATOM 144 CZ PHE A 11 2.641 -5.830 -4.017 1.00 0.00 C ATOM 0 H PHE A 11 1.640 0.138 -6.692 1.00 0.00 H new ATOM 0 HA PHE A 11 3.024 -2.238 -7.821 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.123 -1.723 -5.798 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.643 -1.223 -5.004 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.656 -4.322 -6.842 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.145 -2.597 -3.256 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.415 -6.560 -5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.896 -4.832 -2.282 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.533 -6.815 -3.588 1.00 0.00 H new ATOM 154 N GLU A 12 0.975 -3.698 -7.617 1.00 0.00 N ATOM 155 CA GLU A 12 -0.278 -4.423 -7.670 1.00 0.00 C ATOM 156 C GLU A 12 -0.209 -5.662 -6.783 1.00 0.00 C ATOM 157 O GLU A 12 0.878 -6.203 -6.589 1.00 0.00 O ATOM 158 CB GLU A 12 -0.661 -4.771 -9.117 1.00 0.00 C ATOM 159 CG GLU A 12 -0.650 -6.261 -9.435 1.00 0.00 C ATOM 160 CD GLU A 12 -0.856 -6.543 -10.911 1.00 0.00 C ATOM 161 OE1 GLU A 12 -1.842 -6.031 -11.481 1.00 0.00 O ATOM 162 OE2 GLU A 12 -0.030 -7.275 -11.496 1.00 0.00 O ATOM 0 H GLU A 12 1.778 -4.205 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.068 -3.780 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.657 -4.377 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.027 -4.263 -9.793 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.300 -6.690 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.433 -6.757 -8.861 1.00 0.00 H new ATOM 169 N VAL A 13 -1.342 -6.129 -6.225 1.00 0.00 N ATOM 170 CA VAL A 13 -1.277 -7.288 -5.377 1.00 0.00 C ATOM 171 C VAL A 13 -2.194 -8.363 -5.906 1.00 0.00 C ATOM 172 O VAL A 13 -3.418 -8.233 -5.877 1.00 0.00 O ATOM 173 CB VAL A 13 -1.659 -6.916 -3.925 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.213 -5.497 -3.591 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.153 -7.066 -3.682 1.00 0.00 C ATOM 0 H VAL A 13 -2.270 -5.726 -6.351 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.255 -7.667 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.139 -7.612 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.493 -5.260 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.131 -5.421 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.695 -4.795 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.383 -6.796 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.700 -6.410 -4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.449 -8.100 -3.861 1.00 0.00 H new ATOM 185 N GLU A 14 -1.597 -9.415 -6.419 1.00 0.00 N ATOM 186 CA GLU A 14 -2.362 -10.487 -6.969 1.00 0.00 C ATOM 187 C GLU A 14 -2.185 -11.810 -6.223 1.00 0.00 C ATOM 188 O GLU A 14 -1.071 -12.312 -6.089 1.00 0.00 O ATOM 189 CB GLU A 14 -1.964 -10.708 -8.392 1.00 0.00 C ATOM 190 CG GLU A 14 -0.569 -11.277 -8.556 1.00 0.00 C ATOM 191 CD GLU A 14 -0.064 -11.195 -9.983 1.00 0.00 C ATOM 192 OE1 GLU A 14 -0.900 -11.063 -10.902 1.00 0.00 O ATOM 193 OE2 GLU A 14 1.167 -11.262 -10.182 1.00 0.00 O ATOM 0 H GLU A 14 -0.586 -9.542 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.407 -10.189 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.680 -11.385 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.025 -9.761 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.117 -10.739 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.566 -12.318 -8.234 1.00 0.00 H new ATOM 200 N LEU A 15 -3.296 -12.388 -5.841 1.00 0.00 N ATOM 201 CA LEU A 15 -3.355 -13.700 -5.193 1.00 0.00 C ATOM 202 C LEU A 15 -4.602 -14.434 -5.650 1.00 0.00 C ATOM 203 O LEU A 15 -5.626 -13.815 -5.930 1.00 0.00 O ATOM 204 CB LEU A 15 -3.340 -13.606 -3.662 1.00 0.00 C ATOM 205 CG LEU A 15 -2.059 -14.144 -3.035 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.021 -15.663 -3.107 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.875 -13.537 -3.756 1.00 0.00 C ATOM 0 H LEU A 15 -4.213 -11.960 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.461 -14.249 -5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.470 -12.564 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.191 -14.158 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.022 -13.868 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.098 -16.026 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.875 -16.074 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.062 -15.979 -4.149 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.050 -13.913 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.913 -13.808 -4.811 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.907 -12.452 -3.659 1.00 0.00 H new ATOM 219 N ALA A 16 -4.519 -15.752 -5.709 1.00 0.00 N ATOM 220 CA ALA A 16 -5.642 -16.560 -6.113 1.00 0.00 C ATOM 221 C ALA A 16 -6.161 -17.289 -4.903 1.00 0.00 C ATOM 222 O ALA A 16 -5.397 -17.992 -4.245 1.00 0.00 O ATOM 223 CB ALA A 16 -5.208 -17.536 -7.189 1.00 0.00 C ATOM 0 H ALA A 16 -3.678 -16.282 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.435 -15.936 -6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.059 -18.145 -7.492 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.832 -16.984 -8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.421 -18.181 -6.799 1.00 0.00 H new ATOM 229 N LYS A 17 -7.439 -17.108 -4.578 1.00 0.00 N ATOM 230 CA LYS A 17 -7.992 -17.767 -3.395 1.00 0.00 C ATOM 231 C LYS A 17 -7.485 -19.195 -3.301 1.00 0.00 C ATOM 232 O LYS A 17 -8.066 -20.119 -3.870 1.00 0.00 O ATOM 233 CB LYS A 17 -9.514 -17.766 -3.374 1.00 0.00 C ATOM 234 CG LYS A 17 -10.067 -18.546 -2.196 1.00 0.00 C ATOM 235 CD LYS A 17 -10.879 -19.750 -2.648 1.00 0.00 C ATOM 236 CE LYS A 17 -12.342 -19.392 -2.847 1.00 0.00 C ATOM 237 NZ LYS A 17 -12.621 -18.946 -4.241 1.00 0.00 N ATOM 0 H LYS A 17 -8.096 -16.528 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.654 -17.192 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.875 -16.739 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.890 -18.197 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.245 -18.879 -1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.693 -17.892 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.468 -20.138 -3.580 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.795 -20.545 -1.907 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.962 -20.257 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.620 -18.601 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.630 -18.711 -4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.048 -18.105 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.380 -19.710 -4.905 1.00 0.00 H new ATOM 251 N ASN A 18 -6.383 -19.354 -2.594 1.00 0.00 N ATOM 252 CA ASN A 18 -5.766 -20.675 -2.440 1.00 0.00 C ATOM 253 C ASN A 18 -5.308 -20.927 -1.010 1.00 0.00 C ATOM 254 O ASN A 18 -5.732 -21.891 -0.373 1.00 0.00 O ATOM 255 CB ASN A 18 -4.580 -20.815 -3.395 1.00 0.00 C ATOM 256 CG ASN A 18 -4.241 -22.264 -3.686 1.00 0.00 C ATOM 257 OD1 ASN A 18 -4.532 -23.154 -2.889 1.00 0.00 O ATOM 258 ND2 ASN A 18 -3.618 -22.507 -4.834 1.00 0.00 N ATOM 0 H ASN A 18 -5.893 -18.597 -2.117 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.524 -21.420 -2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.807 -20.303 -4.330 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.710 -20.320 -2.964 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.362 -23.462 -5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.396 -21.738 -5.466 1.00 0.00 H new ATOM 265 N ASP A 19 -4.451 -20.052 -0.509 1.00 0.00 N ATOM 266 CA ASP A 19 -3.942 -20.168 0.850 1.00 0.00 C ATOM 267 C ASP A 19 -4.223 -18.881 1.580 1.00 0.00 C ATOM 268 O ASP A 19 -4.558 -18.860 2.763 1.00 0.00 O ATOM 269 CB ASP A 19 -2.442 -20.471 0.850 1.00 0.00 C ATOM 270 CG ASP A 19 -2.040 -21.397 1.982 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.309 -22.613 1.878 1.00 0.00 O ATOM 272 OD2 ASP A 19 -1.459 -20.906 2.972 1.00 0.00 O ATOM 0 H ASP A 19 -4.091 -19.249 -1.025 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.441 -20.995 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.165 -20.924 -0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.885 -19.537 0.933 1.00 0.00 H new ATOM 277 N ASN A 20 -4.125 -17.819 0.817 1.00 0.00 N ATOM 278 CA ASN A 20 -4.396 -16.491 1.282 1.00 0.00 C ATOM 279 C ASN A 20 -4.548 -15.596 0.080 1.00 0.00 C ATOM 280 O ASN A 20 -4.011 -15.887 -0.988 1.00 0.00 O ATOM 281 CB ASN A 20 -3.292 -15.959 2.192 1.00 0.00 C ATOM 282 CG ASN A 20 -3.253 -16.663 3.534 1.00 0.00 C ATOM 283 OD1 ASN A 20 -2.299 -17.376 3.847 1.00 0.00 O ATOM 284 ND2 ASN A 20 -4.294 -16.466 4.336 1.00 0.00 N ATOM 0 H ASN A 20 -3.849 -17.861 -0.164 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.310 -16.509 1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.329 -16.077 1.696 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.440 -14.891 2.350 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.324 -16.914 5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.063 -15.867 4.036 1.00 0.00 H new ATOM 291 N SER A 21 -5.280 -14.521 0.238 1.00 0.00 N ATOM 292 CA SER A 21 -5.487 -13.614 -0.866 1.00 0.00 C ATOM 293 C SER A 21 -6.115 -12.345 -0.325 1.00 0.00 C ATOM 294 O SER A 21 -6.988 -11.733 -0.938 1.00 0.00 O ATOM 295 CB SER A 21 -6.371 -14.296 -1.923 1.00 0.00 C ATOM 296 OG SER A 21 -6.275 -13.636 -3.174 1.00 0.00 O ATOM 0 H SER A 21 -5.738 -14.254 1.109 1.00 0.00 H new ATOM 0 HA SER A 21 -4.545 -13.353 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.071 -15.338 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.408 -14.297 -1.588 1.00 0.00 H new ATOM 0 HG SER A 21 -7.137 -13.686 -3.637 1.00 0.00 H new ATOM 302 N LEU A 22 -5.657 -12.002 0.872 1.00 0.00 N ATOM 303 CA LEU A 22 -6.134 -10.858 1.620 1.00 0.00 C ATOM 304 C LEU A 22 -5.645 -10.991 3.049 1.00 0.00 C ATOM 305 O LEU A 22 -5.043 -11.996 3.403 1.00 0.00 O ATOM 306 CB LEU A 22 -7.640 -10.889 1.732 1.00 0.00 C ATOM 307 CG LEU A 22 -8.047 -11.532 3.054 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.950 -10.604 3.856 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.711 -12.881 2.826 1.00 0.00 C ATOM 0 H LEU A 22 -4.928 -12.526 1.356 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.787 -9.955 1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.039 -9.877 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.064 -11.449 0.899 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.141 -11.703 3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.226 -11.086 4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.421 -9.675 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.850 -10.386 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.990 -13.316 3.786 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.603 -12.749 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.016 -13.547 2.315 1.00 0.00 H new ATOM 321 N GLY A 23 -5.989 -10.023 3.884 1.00 0.00 N ATOM 322 CA GLY A 23 -5.639 -10.092 5.289 1.00 0.00 C ATOM 323 C GLY A 23 -5.367 -8.731 5.844 1.00 0.00 C ATOM 324 O GLY A 23 -4.486 -8.545 6.668 1.00 0.00 O ATOM 0 H GLY A 23 -6.507 -9.187 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.451 -10.560 5.846 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.759 -10.723 5.417 1.00 0.00 H new ATOM 328 N ILE A 24 -6.118 -7.767 5.372 1.00 0.00 N ATOM 329 CA ILE A 24 -5.924 -6.403 5.811 1.00 0.00 C ATOM 330 C ILE A 24 -7.149 -5.833 6.494 1.00 0.00 C ATOM 331 O ILE A 24 -8.283 -6.182 6.167 1.00 0.00 O ATOM 332 CB ILE A 24 -5.528 -5.508 4.628 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.700 -5.355 3.654 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.314 -6.110 3.908 1.00 0.00 C ATOM 335 CD1 ILE A 24 -7.638 -4.223 4.012 1.00 0.00 C ATOM 0 H ILE A 24 -6.864 -7.897 4.689 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.118 -6.422 6.544 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.266 -4.520 5.006 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.309 -5.189 2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.263 -6.288 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.036 -5.472 3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.477 -6.181 4.603 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.566 -7.105 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.444 -4.173 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.058 -4.398 5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.089 -3.281 4.012 1.00 0.00 H new ATOM 347 N SER A 25 -6.904 -4.927 7.428 1.00 0.00 N ATOM 348 CA SER A 25 -7.961 -4.275 8.140 1.00 0.00 C ATOM 349 C SER A 25 -8.140 -2.883 7.572 1.00 0.00 C ATOM 350 O SER A 25 -7.228 -2.060 7.629 1.00 0.00 O ATOM 351 CB SER A 25 -7.676 -4.223 9.643 1.00 0.00 C ATOM 352 OG SER A 25 -7.178 -5.464 10.111 1.00 0.00 O ATOM 0 H SER A 25 -5.967 -4.633 7.704 1.00 0.00 H new ATOM 0 HA SER A 25 -8.882 -4.844 8.015 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.952 -3.435 9.852 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.589 -3.968 10.181 1.00 0.00 H new ATOM 0 HG SER A 25 -7.002 -5.404 11.073 1.00 0.00 H new ATOM 358 N VAL A 26 -9.299 -2.633 6.989 1.00 0.00 N ATOM 359 CA VAL A 26 -9.556 -1.346 6.372 1.00 0.00 C ATOM 360 C VAL A 26 -10.380 -0.448 7.285 1.00 0.00 C ATOM 361 O VAL A 26 -11.049 -0.922 8.202 1.00 0.00 O ATOM 362 CB VAL A 26 -10.273 -1.512 5.018 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.570 -2.288 5.187 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.534 -0.160 4.375 1.00 0.00 C ATOM 0 H VAL A 26 -10.070 -3.298 6.930 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.589 -0.873 6.201 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.620 -2.081 4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.060 -2.393 4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.353 -3.276 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.229 -1.752 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.041 -0.303 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.162 0.441 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.587 0.353 4.210 1.00 0.00 H new ATOM 374 N THR A 27 -10.282 0.861 7.045 1.00 0.00 N ATOM 375 CA THR A 27 -10.972 1.860 7.858 1.00 0.00 C ATOM 376 C THR A 27 -10.176 2.119 9.135 1.00 0.00 C ATOM 377 O THR A 27 -10.563 2.932 9.974 1.00 0.00 O ATOM 378 CB THR A 27 -12.397 1.413 8.207 1.00 0.00 C ATOM 379 OG1 THR A 27 -13.059 0.909 7.060 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.249 2.524 8.779 1.00 0.00 C ATOM 0 H THR A 27 -9.726 1.255 6.286 1.00 0.00 H new ATOM 0 HA THR A 27 -11.046 2.780 7.278 1.00 0.00 H new ATOM 0 HB THR A 27 -12.280 0.640 8.967 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.009 0.777 7.262 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.244 2.140 9.004 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.790 2.901 9.693 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.328 3.333 8.053 1.00 0.00 H new ATOM 388 N VAL A 28 -9.056 1.414 9.263 1.00 0.00 N ATOM 389 CA VAL A 28 -8.183 1.538 10.412 1.00 0.00 C ATOM 390 C VAL A 28 -7.385 2.834 10.362 1.00 0.00 C ATOM 391 O VAL A 28 -7.207 3.498 11.384 1.00 0.00 O ATOM 392 CB VAL A 28 -7.216 0.349 10.467 1.00 0.00 C ATOM 393 CG1 VAL A 28 -7.992 -0.957 10.503 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.288 0.370 9.266 1.00 0.00 C ATOM 0 H VAL A 28 -8.733 0.741 8.568 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.807 1.549 11.306 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.617 0.428 11.375 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.295 -1.794 10.542 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.631 -0.976 11.386 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.608 -1.039 9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.607 -0.479 9.318 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.876 0.308 8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.713 1.296 9.266 1.00 0.00 H new ATOM 404 N LEU A 29 -6.922 3.211 9.169 1.00 0.00 N ATOM 405 CA LEU A 29 -6.177 4.435 9.009 1.00 0.00 C ATOM 406 C LEU A 29 -6.973 5.391 8.162 1.00 0.00 C ATOM 407 O LEU A 29 -6.671 6.580 8.061 1.00 0.00 O ATOM 408 CB LEU A 29 -4.813 4.170 8.376 1.00 0.00 C ATOM 409 CG LEU A 29 -4.006 3.029 9.002 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.525 3.208 8.704 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.235 2.960 10.508 1.00 0.00 C ATOM 0 H LEU A 29 -7.056 2.680 8.309 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.004 4.874 9.992 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.959 3.951 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.222 5.084 8.433 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.346 2.091 8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.962 2.391 9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.368 3.206 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.182 4.156 9.118 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.650 2.141 10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.926 3.899 10.966 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.293 2.790 10.708 1.00 0.00 H new ATOM 423 N PHE A 30 -8.000 4.838 7.558 1.00 0.00 N ATOM 424 CA PHE A 30 -8.884 5.581 6.707 1.00 0.00 C ATOM 425 C PHE A 30 -10.331 5.402 7.166 1.00 0.00 C ATOM 426 O PHE A 30 -10.584 4.962 8.287 1.00 0.00 O ATOM 427 CB PHE A 30 -8.721 5.088 5.279 1.00 0.00 C ATOM 428 CG PHE A 30 -8.878 6.058 4.283 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.194 7.370 4.495 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.608 5.603 3.085 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.224 8.208 3.429 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.637 6.368 2.056 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.940 7.699 2.181 1.00 0.00 C ATOM 0 H PHE A 30 -8.242 3.851 7.648 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.637 6.642 6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.730 4.646 5.177 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.445 4.292 5.103 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.415 7.732 5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.355 4.560 2.961 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.466 9.253 3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.420 5.959 1.080 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.956 8.340 1.312 1.00 0.00 H new ATOM 443 N ASP A 31 -11.275 5.729 6.291 1.00 0.00 N ATOM 444 CA ASP A 31 -12.691 5.587 6.604 1.00 0.00 C ATOM 445 C ASP A 31 -13.283 4.380 5.876 1.00 0.00 C ATOM 446 O ASP A 31 -14.392 3.942 6.179 1.00 0.00 O ATOM 447 CB ASP A 31 -13.452 6.856 6.215 1.00 0.00 C ATOM 448 CG ASP A 31 -13.157 8.015 7.147 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.035 8.066 7.692 1.00 0.00 O ATOM 450 OD2 ASP A 31 -14.048 8.871 7.331 1.00 0.00 O ATOM 0 H ASP A 31 -11.084 6.095 5.358 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.790 5.431 7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.188 7.137 5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.523 6.651 6.222 1.00 0.00 H new ATOM 455 N LYS A 32 -12.534 3.853 4.909 1.00 0.00 N ATOM 456 CA LYS A 32 -12.978 2.702 4.134 1.00 0.00 C ATOM 457 C LYS A 32 -11.904 2.267 3.139 1.00 0.00 C ATOM 458 O LYS A 32 -12.221 1.780 2.053 1.00 0.00 O ATOM 459 CB LYS A 32 -14.285 3.026 3.390 1.00 0.00 C ATOM 460 CG LYS A 32 -14.096 3.781 2.077 1.00 0.00 C ATOM 461 CD LYS A 32 -14.656 5.191 2.151 1.00 0.00 C ATOM 462 CE LYS A 32 -13.748 6.106 2.956 1.00 0.00 C ATOM 463 NZ LYS A 32 -12.494 6.432 2.225 1.00 0.00 N ATOM 0 H LYS A 32 -11.615 4.208 4.645 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.160 1.880 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.812 2.094 3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.924 3.617 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.035 3.824 1.832 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.588 3.237 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.776 5.590 1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.647 5.167 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.280 7.028 3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.501 5.629 3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.722 6.576 2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.250 5.648 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.632 7.300 1.669 1.00 0.00 H new ATOM 477 N GLY A 33 -10.634 2.460 3.496 1.00 0.00 N ATOM 478 CA GLY A 33 -9.563 2.091 2.586 1.00 0.00 C ATOM 479 C GLY A 33 -9.733 2.801 1.246 1.00 0.00 C ATOM 480 O GLY A 33 -9.416 3.978 1.118 1.00 0.00 O ATOM 0 H GLY A 33 -10.332 2.859 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.600 2.353 3.023 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.562 1.012 2.435 1.00 0.00 H new ATOM 484 N GLY A 34 -10.253 2.078 0.250 1.00 0.00 N ATOM 485 CA GLY A 34 -10.467 2.659 -1.071 1.00 0.00 C ATOM 486 C GLY A 34 -11.308 3.920 -1.025 1.00 0.00 C ATOM 487 O GLY A 34 -11.997 4.165 -0.037 1.00 0.00 O ATOM 0 H GLY A 34 -10.530 1.100 0.335 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.502 2.887 -1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.955 1.925 -1.712 1.00 0.00 H new ATOM 491 N VAL A 35 -11.230 4.732 -2.088 1.00 0.00 N ATOM 492 CA VAL A 35 -11.953 5.989 -2.181 1.00 0.00 C ATOM 493 C VAL A 35 -11.209 6.838 -3.184 1.00 0.00 C ATOM 494 O VAL A 35 -10.372 6.320 -3.916 1.00 0.00 O ATOM 495 CB VAL A 35 -11.987 6.700 -0.810 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.571 6.885 -0.268 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.784 8.003 -0.829 1.00 0.00 C ATOM 0 H VAL A 35 -10.658 4.526 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.985 5.821 -2.487 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.527 6.051 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.614 7.387 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.097 5.911 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.990 7.489 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.769 8.453 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.338 8.692 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.814 7.795 -1.118 1.00 0.00 H new ATOM 507 N ASN A 36 -11.437 8.124 -3.173 1.00 0.00 N ATOM 508 CA ASN A 36 -10.711 9.012 -4.023 1.00 0.00 C ATOM 509 C ASN A 36 -10.541 10.240 -3.188 1.00 0.00 C ATOM 510 O ASN A 36 -10.472 11.364 -3.680 1.00 0.00 O ATOM 511 CB ASN A 36 -11.464 9.307 -5.322 1.00 0.00 C ATOM 512 CG ASN A 36 -10.823 10.407 -6.147 1.00 0.00 C ATOM 513 OD1 ASN A 36 -9.894 10.028 -7.015 1.00 0.00 O flip ATOM 514 ND2 ASN A 36 -11.164 11.582 -6.009 1.00 0.00 N flip ATOM 0 H ASN A 36 -12.128 8.578 -2.576 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.760 8.591 -4.350 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.516 8.397 -5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.489 9.591 -5.084 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.883 11.828 -5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.727 12.310 -6.575 1.00 0.00 H new ATOM 521 N THR A 37 -10.569 9.966 -1.878 1.00 0.00 N ATOM 522 CA THR A 37 -10.515 10.970 -0.854 1.00 0.00 C ATOM 523 C THR A 37 -10.180 12.364 -1.393 1.00 0.00 C ATOM 524 O THR A 37 -10.931 13.316 -1.178 1.00 0.00 O ATOM 525 CB THR A 37 -9.526 10.576 0.242 1.00 0.00 C ATOM 526 OG1 THR A 37 -9.245 11.679 1.085 1.00 0.00 O ATOM 527 CG2 THR A 37 -8.208 10.062 -0.297 1.00 0.00 C ATOM 0 H THR A 37 -10.631 9.016 -1.512 1.00 0.00 H new ATOM 0 HA THR A 37 -11.518 11.027 -0.432 1.00 0.00 H new ATOM 0 HB THR A 37 -10.013 9.772 0.794 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.611 11.406 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.552 9.800 0.534 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.386 9.179 -0.911 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.736 10.836 -0.902 1.00 0.00 H new ATOM 535 N SER A 38 -9.054 12.475 -2.097 1.00 0.00 N ATOM 536 CA SER A 38 -8.636 13.755 -2.665 1.00 0.00 C ATOM 537 C SER A 38 -7.536 13.582 -3.706 1.00 0.00 C ATOM 538 O SER A 38 -6.385 13.960 -3.486 1.00 0.00 O ATOM 539 CB SER A 38 -8.147 14.691 -1.572 1.00 0.00 C ATOM 540 OG SER A 38 -9.054 14.739 -0.484 1.00 0.00 O ATOM 0 H SER A 38 -8.419 11.700 -2.287 1.00 0.00 H new ATOM 0 HA SER A 38 -9.509 14.186 -3.155 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.170 14.360 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.015 15.693 -1.981 1.00 0.00 H new ATOM 0 HG SER A 38 -9.972 14.664 -0.820 1.00 0.00 H new ATOM 546 N VAL A 39 -7.903 13.012 -4.837 1.00 0.00 N ATOM 547 CA VAL A 39 -6.969 12.783 -5.928 1.00 0.00 C ATOM 548 C VAL A 39 -7.742 12.460 -7.217 1.00 0.00 C ATOM 549 O VAL A 39 -8.890 12.880 -7.364 1.00 0.00 O ATOM 550 CB VAL A 39 -5.989 11.654 -5.550 1.00 0.00 C ATOM 551 CG1 VAL A 39 -6.702 10.322 -5.517 1.00 0.00 C ATOM 552 CG2 VAL A 39 -4.777 11.626 -6.475 1.00 0.00 C ATOM 0 H VAL A 39 -8.853 12.695 -5.028 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.384 13.685 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.612 11.856 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.995 9.537 -5.249 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.503 10.356 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.123 10.110 -6.500 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.110 10.817 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.106 11.465 -7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.247 12.576 -6.409 1.00 0.00 H new ATOM 562 N ARG A 40 -7.128 11.739 -8.153 1.00 0.00 N ATOM 563 CA ARG A 40 -7.795 11.411 -9.412 1.00 0.00 C ATOM 564 C ARG A 40 -7.750 9.912 -9.721 1.00 0.00 C ATOM 565 O ARG A 40 -8.251 9.474 -10.757 1.00 0.00 O ATOM 566 CB ARG A 40 -7.149 12.188 -10.558 1.00 0.00 C ATOM 567 CG ARG A 40 -7.832 11.977 -11.900 1.00 0.00 C ATOM 568 CD ARG A 40 -7.841 13.251 -12.731 1.00 0.00 C ATOM 569 NE ARG A 40 -6.936 13.164 -13.874 1.00 0.00 N ATOM 570 CZ ARG A 40 -5.620 13.349 -13.795 1.00 0.00 C ATOM 571 NH1 ARG A 40 -5.050 13.632 -12.630 1.00 0.00 N ATOM 572 NH2 ARG A 40 -4.870 13.251 -14.885 1.00 0.00 N ATOM 0 H ARG A 40 -6.180 11.374 -8.066 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.842 11.695 -9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.161 13.251 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.103 11.892 -10.642 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.319 11.187 -12.449 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.856 11.640 -11.739 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.854 13.447 -13.084 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.553 14.095 -12.104 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.336 12.949 -14.787 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.621 13.709 -11.788 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.041 13.773 -12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.302 13.034 -15.783 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.862 13.393 -14.825 1.00 0.00 H new ATOM 586 N HIS A 41 -7.144 9.131 -8.833 1.00 0.00 N ATOM 587 CA HIS A 41 -7.037 7.685 -9.038 1.00 0.00 C ATOM 588 C HIS A 41 -7.804 6.912 -7.982 1.00 0.00 C ATOM 589 O HIS A 41 -8.206 5.768 -8.194 1.00 0.00 O ATOM 590 CB HIS A 41 -5.581 7.254 -8.971 1.00 0.00 C ATOM 591 CG HIS A 41 -4.674 8.162 -9.732 1.00 0.00 C ATOM 592 ND1 HIS A 41 -4.654 8.203 -11.107 1.00 0.00 N ATOM 593 CD2 HIS A 41 -3.777 9.086 -9.315 1.00 0.00 C ATOM 594 CE1 HIS A 41 -3.788 9.111 -11.506 1.00 0.00 C ATOM 595 NE2 HIS A 41 -3.239 9.662 -10.440 1.00 0.00 N ATOM 0 H HIS A 41 -6.721 9.469 -7.969 1.00 0.00 H new ATOM 0 HA HIS A 41 -7.460 7.468 -10.019 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.264 7.221 -7.929 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.488 6.242 -9.364 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.531 9.325 -8.291 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.565 9.362 -12.532 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -2.531 10.396 -10.450 1.00 0.00 H new ATOM 604 N GLY A 42 -7.958 7.534 -6.831 1.00 0.00 N ATOM 605 CA GLY A 42 -8.624 6.903 -5.724 1.00 0.00 C ATOM 606 C GLY A 42 -7.824 7.081 -4.458 1.00 0.00 C ATOM 607 O GLY A 42 -7.702 8.191 -3.943 1.00 0.00 O ATOM 0 H GLY A 42 -7.627 8.480 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.618 7.332 -5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.759 5.841 -5.930 1.00 0.00 H new ATOM 611 N GLY A 43 -7.213 6.001 -3.992 1.00 0.00 N ATOM 612 CA GLY A 43 -6.359 6.112 -2.824 1.00 0.00 C ATOM 613 C GLY A 43 -6.815 5.398 -1.555 1.00 0.00 C ATOM 614 O GLY A 43 -7.382 6.022 -0.662 1.00 0.00 O ATOM 0 H GLY A 43 -7.290 5.066 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.373 5.731 -3.090 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.240 7.170 -2.592 1.00 0.00 H new ATOM 618 N ILE A 44 -6.516 4.103 -1.460 1.00 0.00 N ATOM 619 CA ILE A 44 -6.845 3.309 -0.263 1.00 0.00 C ATOM 620 C ILE A 44 -5.848 3.541 0.860 1.00 0.00 C ATOM 621 O ILE A 44 -4.638 3.450 0.670 1.00 0.00 O ATOM 622 CB ILE A 44 -6.862 1.782 -0.509 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.485 1.048 0.693 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.447 1.258 -0.771 1.00 0.00 C ATOM 625 CD1 ILE A 44 -6.887 -0.316 0.985 1.00 0.00 C ATOM 0 H ILE A 44 -6.046 3.575 -2.195 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.845 3.650 0.005 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.471 1.588 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.377 1.674 1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.554 0.930 0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.483 0.182 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.034 1.751 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.816 1.468 0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.388 -0.756 1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.019 -0.964 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.824 -0.209 1.199 1.00 0.00 H new ATOM 637 N TYR A 45 -6.379 3.753 2.040 1.00 0.00 N ATOM 638 CA TYR A 45 -5.558 3.913 3.236 1.00 0.00 C ATOM 639 C TYR A 45 -5.987 2.892 4.264 1.00 0.00 C ATOM 640 O TYR A 45 -7.180 2.665 4.460 1.00 0.00 O ATOM 641 CB TYR A 45 -5.595 5.321 3.792 1.00 0.00 C ATOM 642 CG TYR A 45 -5.072 6.372 2.868 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.633 6.556 1.622 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.035 7.197 3.256 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.173 7.533 0.779 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.567 8.181 2.422 1.00 0.00 C ATOM 647 CZ TYR A 45 -4.139 8.350 1.179 1.00 0.00 C ATOM 648 OH TYR A 45 -3.675 9.336 0.337 1.00 0.00 O ATOM 0 H TYR A 45 -7.383 3.821 2.207 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.517 3.740 2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.624 5.566 4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.016 5.348 4.715 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.447 5.921 1.306 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.586 7.066 4.229 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.620 7.662 -0.196 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.755 8.820 2.738 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.944 9.822 0.773 1.00 0.00 H new ATOM 658 N VAL A 46 -5.025 2.180 4.829 1.00 0.00 N ATOM 659 CA VAL A 46 -5.359 1.092 5.700 1.00 0.00 C ATOM 660 C VAL A 46 -4.266 0.712 6.707 1.00 0.00 C ATOM 661 O VAL A 46 -3.239 1.380 6.799 1.00 0.00 O ATOM 662 CB VAL A 46 -5.593 -0.052 4.731 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.311 -0.738 4.367 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.650 -0.991 5.252 1.00 0.00 C ATOM 0 H VAL A 46 -4.026 2.340 4.697 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.208 1.352 6.333 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.980 0.359 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.518 -1.551 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.636 -0.022 3.897 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.845 -1.140 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.799 -1.802 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.331 -1.403 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.586 -0.448 5.385 1.00 0.00 H new ATOM 674 N LYS A 47 -4.469 -0.422 7.405 1.00 0.00 N ATOM 675 CA LYS A 47 -3.453 -0.937 8.338 1.00 0.00 C ATOM 676 C LYS A 47 -2.563 -1.837 7.517 1.00 0.00 C ATOM 677 O LYS A 47 -1.417 -2.135 7.856 1.00 0.00 O ATOM 678 CB LYS A 47 -4.052 -1.730 9.511 1.00 0.00 C ATOM 679 CG LYS A 47 -4.565 -3.114 9.132 1.00 0.00 C ATOM 680 CD LYS A 47 -4.661 -4.023 10.348 1.00 0.00 C ATOM 681 CE LYS A 47 -3.308 -4.206 11.018 1.00 0.00 C ATOM 682 NZ LYS A 47 -3.263 -5.439 11.851 1.00 0.00 N ATOM 0 H LYS A 47 -5.314 -0.990 7.341 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.917 -0.103 8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.295 -1.836 10.288 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.872 -1.156 9.942 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.546 -3.025 8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.899 -3.561 8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.368 -3.602 11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.053 -4.994 10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.529 -4.254 10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.091 -3.339 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.324 -5.527 12.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.989 -5.383 12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.444 -6.270 11.252 1.00 0.00 H new ATOM 696 N ALA A 48 -3.145 -2.211 6.390 1.00 0.00 N ATOM 697 CA ALA A 48 -2.556 -3.003 5.391 1.00 0.00 C ATOM 698 C ALA A 48 -2.637 -4.483 5.717 1.00 0.00 C ATOM 699 O ALA A 48 -3.655 -4.945 6.220 1.00 0.00 O ATOM 700 CB ALA A 48 -1.188 -2.485 5.180 1.00 0.00 C ATOM 0 H ALA A 48 -4.101 -1.938 6.160 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.100 -2.930 4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.691 -3.073 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.238 -1.443 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.624 -2.556 6.110 1.00 0.00 H new ATOM 706 N VAL A 49 -1.616 -5.239 5.373 1.00 0.00 N ATOM 707 CA VAL A 49 -1.654 -6.660 5.545 1.00 0.00 C ATOM 708 C VAL A 49 -1.427 -7.202 6.932 1.00 0.00 C ATOM 709 O VAL A 49 -0.537 -6.796 7.679 1.00 0.00 O ATOM 710 CB VAL A 49 -0.654 -7.297 4.626 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.175 -7.236 3.220 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.697 -6.639 4.763 1.00 0.00 C ATOM 0 H VAL A 49 -0.749 -4.883 4.971 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.688 -6.915 5.315 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.516 -8.344 4.897 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.454 -7.697 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.123 -7.771 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.327 -6.195 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.405 -7.118 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.614 -5.582 4.512 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.049 -6.741 5.789 1.00 0.00 H new ATOM 722 N ILE A 50 -2.270 -8.187 7.204 1.00 0.00 N ATOM 723 CA ILE A 50 -2.277 -8.948 8.438 1.00 0.00 C ATOM 724 C ILE A 50 -0.856 -9.261 8.897 1.00 0.00 C ATOM 725 O ILE A 50 0.085 -9.199 8.106 1.00 0.00 O ATOM 726 CB ILE A 50 -3.056 -10.276 8.210 1.00 0.00 C ATOM 727 CG1 ILE A 50 -3.927 -10.613 9.421 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.120 -11.427 7.877 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.313 -11.097 9.051 1.00 0.00 C ATOM 0 H ILE A 50 -2.991 -8.486 6.548 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.762 -8.354 9.213 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.709 -10.128 7.350 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.429 -11.380 10.015 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.016 -9.729 10.052 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.701 -12.336 7.725 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.566 -11.194 6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.421 -11.577 8.699 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.876 -11.318 9.958 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.829 -10.323 8.483 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.233 -12.000 8.445 1.00 0.00 H new ATOM 741 N PRO A 51 -0.678 -9.614 10.176 1.00 0.00 N ATOM 742 CA PRO A 51 0.629 -9.948 10.717 1.00 0.00 C ATOM 743 C PRO A 51 1.059 -11.356 10.371 1.00 0.00 C ATOM 744 O PRO A 51 2.246 -11.681 10.327 1.00 0.00 O ATOM 745 CB PRO A 51 0.448 -9.811 12.235 1.00 0.00 C ATOM 746 CG PRO A 51 -0.969 -9.370 12.449 1.00 0.00 C ATOM 747 CD PRO A 51 -1.720 -9.720 11.198 1.00 0.00 C ATOM 0 HA PRO A 51 1.404 -9.301 10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.641 -10.759 12.737 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.148 -9.084 12.647 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.404 -9.870 13.315 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.016 -8.298 12.642 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.145 -10.723 11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.545 -9.032 11.012 1.00 0.00 H new ATOM 755 N GLN A 52 0.072 -12.175 10.149 1.00 0.00 N ATOM 756 CA GLN A 52 0.283 -13.582 9.822 1.00 0.00 C ATOM 757 C GLN A 52 0.369 -13.828 8.318 1.00 0.00 C ATOM 758 O GLN A 52 0.250 -14.967 7.865 1.00 0.00 O ATOM 759 CB GLN A 52 -0.823 -14.443 10.432 1.00 0.00 C ATOM 760 CG GLN A 52 -2.203 -14.154 9.864 1.00 0.00 C ATOM 761 CD GLN A 52 -3.290 -14.984 10.519 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.566 -16.108 10.099 1.00 0.00 O ATOM 763 NE2 GLN A 52 -3.911 -14.433 11.555 1.00 0.00 N ATOM 0 H GLN A 52 -0.909 -11.899 10.186 1.00 0.00 H new ATOM 0 HA GLN A 52 1.244 -13.865 10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.585 -15.494 10.269 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.843 -14.284 11.510 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.431 -13.096 9.994 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.198 -14.349 8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.649 -13.498 11.869 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.650 -14.944 12.037 1.00 0.00 H new ATOM 772 N GLY A 53 0.598 -12.773 7.553 1.00 0.00 N ATOM 773 CA GLY A 53 0.721 -12.924 6.114 1.00 0.00 C ATOM 774 C GLY A 53 -0.543 -12.558 5.359 1.00 0.00 C ATOM 775 O GLY A 53 -0.784 -11.390 5.070 1.00 0.00 O ATOM 0 H GLY A 53 0.701 -11.818 7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.541 -12.299 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.985 -13.957 5.886 1.00 0.00 H new ATOM 779 N ALA A 54 -1.358 -13.560 5.056 1.00 0.00 N ATOM 780 CA ALA A 54 -2.610 -13.362 4.345 1.00 0.00 C ATOM 781 C ALA A 54 -2.486 -12.325 3.210 1.00 0.00 C ATOM 782 O ALA A 54 -1.820 -12.600 2.213 1.00 0.00 O ATOM 783 CB ALA A 54 -3.681 -13.026 5.350 1.00 0.00 C ATOM 0 H ALA A 54 -1.168 -14.533 5.297 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.890 -14.283 3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.629 -12.874 4.834 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.782 -13.846 6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.407 -12.115 5.883 1.00 0.00 H new ATOM 789 N ALA A 55 -3.105 -11.135 3.338 1.00 0.00 N ATOM 790 CA ALA A 55 -3.001 -10.122 2.290 1.00 0.00 C ATOM 791 C ALA A 55 -1.541 -9.876 2.001 1.00 0.00 C ATOM 792 O ALA A 55 -1.126 -9.645 0.873 1.00 0.00 O ATOM 793 CB ALA A 55 -3.697 -8.835 2.689 1.00 0.00 C ATOM 0 H ALA A 55 -3.670 -10.863 4.143 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.500 -10.485 1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.599 -8.104 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.753 -9.034 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.240 -8.440 3.596 1.00 0.00 H new ATOM 799 N GLU A 56 -0.781 -9.946 3.070 1.00 0.00 N ATOM 800 CA GLU A 56 0.662 -9.757 3.023 1.00 0.00 C ATOM 801 C GLU A 56 1.262 -10.756 2.032 1.00 0.00 C ATOM 802 O GLU A 56 2.233 -10.466 1.333 1.00 0.00 O ATOM 803 CB GLU A 56 1.239 -9.939 4.423 1.00 0.00 C ATOM 804 CG GLU A 56 2.592 -9.273 4.625 1.00 0.00 C ATOM 805 CD GLU A 56 3.689 -10.267 4.953 1.00 0.00 C ATOM 806 OE1 GLU A 56 3.858 -11.238 4.187 1.00 0.00 O ATOM 807 OE2 GLU A 56 4.380 -10.072 5.976 1.00 0.00 O ATOM 0 H GLU A 56 -1.143 -10.136 4.005 1.00 0.00 H new ATOM 0 HA GLU A 56 0.908 -8.750 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.535 -9.536 5.151 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.336 -11.005 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.861 -8.725 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.516 -8.542 5.430 1.00 0.00 H new ATOM 814 N SER A 57 0.608 -11.908 1.938 1.00 0.00 N ATOM 815 CA SER A 57 0.971 -12.955 0.996 1.00 0.00 C ATOM 816 C SER A 57 0.429 -12.519 -0.342 1.00 0.00 C ATOM 817 O SER A 57 1.114 -12.574 -1.363 1.00 0.00 O ATOM 818 CB SER A 57 0.376 -14.303 1.411 1.00 0.00 C ATOM 819 OG SER A 57 1.069 -15.377 0.799 1.00 0.00 O ATOM 0 H SER A 57 -0.196 -12.142 2.520 1.00 0.00 H new ATOM 0 HA SER A 57 2.052 -13.094 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.423 -14.406 2.495 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.677 -14.340 1.133 1.00 0.00 H new ATOM 0 HG SER A 57 0.671 -16.227 1.082 1.00 0.00 H new ATOM 825 N ASP A 58 -0.786 -11.967 -0.291 1.00 0.00 N ATOM 826 CA ASP A 58 -1.403 -11.383 -1.459 1.00 0.00 C ATOM 827 C ASP A 58 -0.481 -10.273 -1.916 1.00 0.00 C ATOM 828 O ASP A 58 -0.491 -9.860 -3.076 1.00 0.00 O ATOM 829 CB ASP A 58 -2.796 -10.839 -1.123 1.00 0.00 C ATOM 830 CG ASP A 58 -3.363 -9.952 -2.209 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.188 -10.283 -3.400 1.00 0.00 O ATOM 832 OD2 ASP A 58 -3.986 -8.927 -1.864 1.00 0.00 O ATOM 0 H ASP A 58 -1.354 -11.918 0.555 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.541 -12.124 -2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.475 -11.675 -0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.745 -10.275 -0.191 1.00 0.00 H new ATOM 837 N GLY A 59 0.318 -9.789 -0.959 1.00 0.00 N ATOM 838 CA GLY A 59 1.243 -8.718 -1.251 1.00 0.00 C ATOM 839 C GLY A 59 0.518 -7.419 -1.400 1.00 0.00 C ATOM 840 O GLY A 59 0.683 -6.725 -2.391 1.00 0.00 O ATOM 0 H GLY A 59 0.335 -10.123 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.980 -8.639 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.789 -8.942 -2.167 1.00 0.00 H new ATOM 844 N ARG A 60 -0.282 -7.096 -0.395 1.00 0.00 N ATOM 845 CA ARG A 60 -1.055 -5.867 -0.389 1.00 0.00 C ATOM 846 C ARG A 60 -0.592 -5.019 0.767 1.00 0.00 C ATOM 847 O ARG A 60 -1.377 -4.609 1.623 1.00 0.00 O ATOM 848 CB ARG A 60 -2.549 -6.186 -0.265 1.00 0.00 C ATOM 849 CG ARG A 60 -3.456 -5.035 -0.667 1.00 0.00 C ATOM 850 CD ARG A 60 -4.858 -5.205 -0.106 1.00 0.00 C ATOM 851 NE ARG A 60 -5.364 -6.563 -0.294 1.00 0.00 N ATOM 852 CZ ARG A 60 -6.573 -6.964 0.094 1.00 0.00 C ATOM 853 NH1 ARG A 60 -7.403 -6.114 0.685 1.00 0.00 N ATOM 854 NH2 ARG A 60 -6.952 -8.218 -0.112 1.00 0.00 N ATOM 0 H ARG A 60 -0.412 -7.676 0.434 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.906 -5.323 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.779 -7.052 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.767 -6.466 0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.032 -4.096 -0.311 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.504 -4.971 -1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.854 -4.964 0.957 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.530 -4.498 -0.591 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.755 -7.243 -0.749 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.116 -5.148 0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.328 -6.426 0.980 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.318 -8.874 -0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.878 -8.526 0.185 1.00 0.00 H new ATOM 868 N ILE A 61 0.711 -4.818 0.812 1.00 0.00 N ATOM 869 CA ILE A 61 1.336 -4.114 1.845 1.00 0.00 C ATOM 870 C ILE A 61 1.387 -2.625 1.649 1.00 0.00 C ATOM 871 O ILE A 61 1.640 -2.120 0.558 1.00 0.00 O ATOM 872 CB ILE A 61 2.752 -4.606 2.011 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.398 -5.056 0.688 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.765 -5.735 3.009 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.336 -4.023 -0.418 1.00 0.00 C ATOM 0 H ILE A 61 1.355 -5.160 0.099 1.00 0.00 H new ATOM 0 HA ILE A 61 0.725 -4.301 2.728 1.00 0.00 H new ATOM 0 HB ILE A 61 3.350 -3.769 2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.442 -5.310 0.874 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.905 -5.966 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.785 -6.097 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.385 -5.379 3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.134 -6.547 2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.813 -4.420 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.295 -3.786 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.856 -3.119 -0.101 1.00 0.00 H new ATOM 887 N HIS A 62 1.196 -1.959 2.770 1.00 0.00 N ATOM 888 CA HIS A 62 1.253 -0.522 2.890 1.00 0.00 C ATOM 889 C HIS A 62 0.024 -0.012 3.617 1.00 0.00 C ATOM 890 O HIS A 62 -1.078 0.003 3.070 1.00 0.00 O ATOM 891 CB HIS A 62 1.403 0.209 1.557 1.00 0.00 C ATOM 892 CG HIS A 62 2.834 0.419 1.166 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.400 1.670 1.025 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.821 -0.469 0.901 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.671 1.541 0.688 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.951 0.254 0.607 1.00 0.00 N ATOM 0 H HIS A 62 0.989 -2.424 3.654 1.00 0.00 H new ATOM 0 HA HIS A 62 2.155 -0.305 3.462 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.898 -0.361 0.777 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.903 1.176 1.620 1.00 0.00 H new ATOM 0 HD1 HIS A 62 2.913 2.556 1.160 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.736 -1.545 0.918 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.363 2.351 0.509 1.00 0.00 H new ATOM 905 N LYS A 63 0.226 0.414 4.845 1.00 0.00 N ATOM 906 CA LYS A 63 -0.857 0.940 5.657 1.00 0.00 C ATOM 907 C LYS A 63 -1.070 2.398 5.326 1.00 0.00 C ATOM 908 O LYS A 63 -0.216 3.231 5.627 1.00 0.00 O ATOM 909 CB LYS A 63 -0.535 0.785 7.143 1.00 0.00 C ATOM 910 CG LYS A 63 0.841 1.308 7.524 1.00 0.00 C ATOM 911 CD LYS A 63 1.749 0.190 8.011 1.00 0.00 C ATOM 912 CE LYS A 63 1.816 0.146 9.529 1.00 0.00 C ATOM 913 NZ LYS A 63 1.869 -1.250 10.044 1.00 0.00 N ATOM 0 H LYS A 63 1.135 0.407 5.308 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.767 0.380 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.290 1.312 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.602 -0.269 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.296 1.798 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.741 2.062 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.385 -0.766 7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.751 0.331 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.696 0.692 9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.946 0.653 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.914 -1.235 11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.017 -1.764 9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.713 -1.727 9.668 1.00 0.00 H new ATOM 927 N GLY A 64 -2.187 2.719 4.682 1.00 0.00 N ATOM 928 CA GLY A 64 -2.398 4.107 4.325 1.00 0.00 C ATOM 929 C GLY A 64 -1.589 4.475 3.112 1.00 0.00 C ATOM 930 O GLY A 64 -0.375 4.639 3.188 1.00 0.00 O ATOM 0 H GLY A 64 -2.925 2.069 4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.456 4.280 4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.120 4.749 5.161 1.00 0.00 H new ATOM 934 N ASP A 65 -2.265 4.568 1.986 1.00 0.00 N ATOM 935 CA ASP A 65 -1.604 4.883 0.722 1.00 0.00 C ATOM 936 C ASP A 65 -2.630 5.202 -0.356 1.00 0.00 C ATOM 937 O ASP A 65 -3.808 5.358 -0.044 1.00 0.00 O ATOM 938 CB ASP A 65 -0.753 3.697 0.313 1.00 0.00 C ATOM 939 CG ASP A 65 0.704 4.067 0.126 1.00 0.00 C ATOM 940 OD1 ASP A 65 0.986 4.979 -0.679 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.562 3.448 0.788 1.00 0.00 O ATOM 0 H ASP A 65 -3.273 4.431 1.913 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.973 5.763 0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.832 2.918 1.071 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.141 3.279 -0.616 1.00 0.00 H new ATOM 946 N ARG A 66 -2.214 5.321 -1.628 1.00 0.00 N ATOM 947 CA ARG A 66 -3.208 5.636 -2.650 1.00 0.00 C ATOM 948 C ARG A 66 -3.206 4.738 -3.903 1.00 0.00 C ATOM 949 O ARG A 66 -2.344 4.835 -4.767 1.00 0.00 O ATOM 950 CB ARG A 66 -3.054 7.095 -3.082 1.00 0.00 C ATOM 951 CG ARG A 66 -2.799 8.052 -1.927 1.00 0.00 C ATOM 952 CD ARG A 66 -1.317 8.357 -1.770 1.00 0.00 C ATOM 953 NE ARG A 66 -1.057 9.794 -1.717 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.040 10.585 -2.788 1.00 0.00 C ATOM 955 NH1 ARG A 66 -1.266 10.083 -3.995 1.00 0.00 N ATOM 956 NH2 ARG A 66 -0.796 11.881 -2.651 1.00 0.00 N ATOM 0 H ARG A 66 -1.254 5.211 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.166 5.445 -2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.230 7.169 -3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.957 7.406 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.346 8.980 -2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.182 7.618 -1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.945 7.887 -0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.766 7.919 -2.603 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.878 10.216 -0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.454 9.087 -4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.252 10.693 -4.812 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.621 12.272 -1.725 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.783 12.487 -3.471 1.00 0.00 H new ATOM 970 N VAL A 67 -4.241 3.908 -3.987 1.00 0.00 N ATOM 971 CA VAL A 67 -4.522 3.016 -5.048 1.00 0.00 C ATOM 972 C VAL A 67 -5.230 3.609 -6.221 1.00 0.00 C ATOM 973 O VAL A 67 -6.171 4.393 -6.090 1.00 0.00 O ATOM 974 CB VAL A 67 -5.393 1.872 -4.586 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.509 0.732 -4.408 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.152 2.163 -3.330 1.00 0.00 C ATOM 0 H VAL A 67 -4.942 3.857 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.528 2.700 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.164 1.681 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.088 -0.129 -4.073 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.024 0.496 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.751 0.972 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.755 1.296 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.452 2.383 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.803 3.022 -3.489 1.00 0.00 H new ATOM 986 N LEU A 68 -4.822 3.132 -7.370 1.00 0.00 N ATOM 987 CA LEU A 68 -5.473 3.514 -8.594 1.00 0.00 C ATOM 988 C LEU A 68 -6.664 2.581 -8.797 1.00 0.00 C ATOM 989 O LEU A 68 -7.779 3.036 -9.055 1.00 0.00 O ATOM 990 CB LEU A 68 -4.522 3.454 -9.795 1.00 0.00 C ATOM 991 CG LEU A 68 -3.454 2.363 -9.746 1.00 0.00 C ATOM 992 CD1 LEU A 68 -3.011 1.992 -11.157 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.266 2.824 -8.915 1.00 0.00 C ATOM 0 H LEU A 68 -4.045 2.481 -7.482 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.804 4.550 -8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.116 3.313 -10.698 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.024 4.419 -9.888 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.880 1.477 -9.275 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.250 1.214 -11.106 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.868 1.626 -11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.598 2.871 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.513 2.037 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.837 3.722 -9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.596 3.045 -7.900 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.436 1.268 -8.630 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.504 0.290 -8.746 1.00 0.00 C ATOM 1007 C ALA A 69 -7.431 -0.663 -7.574 1.00 0.00 C ATOM 1008 O ALA A 69 -6.346 -0.931 -7.086 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.413 -0.461 -10.066 1.00 0.00 C ATOM 0 H ALA A 69 -5.521 0.871 -8.415 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.465 0.804 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.224 -1.187 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.494 0.245 -10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.456 -0.980 -10.124 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.562 -1.190 -7.147 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.598 -2.142 -6.053 1.00 0.00 C ATOM 1017 C VAL A 70 -9.265 -3.416 -6.523 1.00 0.00 C ATOM 1018 O VAL A 70 -10.192 -3.381 -7.329 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.333 -1.587 -4.837 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.773 -1.368 -5.204 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.207 -2.530 -3.650 1.00 0.00 C ATOM 0 H VAL A 70 -9.476 -0.973 -7.545 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.572 -2.345 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.887 -0.638 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.311 -0.971 -4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.834 -0.659 -6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.220 -2.315 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.739 -2.112 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.637 -3.498 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.155 -2.656 -3.396 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.777 -4.535 -6.033 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.294 -5.843 -6.417 1.00 0.00 C ATOM 1033 C ASN A 71 -9.501 -5.925 -7.924 1.00 0.00 C ATOM 1034 O ASN A 71 -10.241 -6.780 -8.411 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.614 -6.091 -5.728 1.00 0.00 C ATOM 1036 CG ASN A 71 -10.903 -7.563 -5.477 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -11.545 -7.916 -4.489 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -10.435 -8.435 -6.367 1.00 0.00 N ATOM 0 H ASN A 71 -8.013 -4.570 -5.359 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.566 -6.597 -6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.623 -5.560 -4.776 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.416 -5.670 -6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.605 -9.433 -6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.906 -8.105 -7.175 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.859 -5.025 -8.658 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.016 -5.024 -10.101 1.00 0.00 C ATOM 1047 C GLY A 72 -9.927 -3.916 -10.587 1.00 0.00 C ATOM 1048 O GLY A 72 -9.815 -3.480 -11.733 1.00 0.00 O ATOM 0 H GLY A 72 -8.240 -4.304 -8.287 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.038 -4.916 -10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.418 -5.986 -10.420 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.809 -3.428 -9.717 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.690 -2.338 -10.095 1.00 0.00 C ATOM 1054 C VAL A 73 -10.967 -1.039 -9.835 1.00 0.00 C ATOM 1055 O VAL A 73 -10.248 -0.922 -8.856 1.00 0.00 O ATOM 1056 CB VAL A 73 -13.057 -2.338 -9.336 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.885 -1.112 -9.708 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.825 -3.618 -9.632 1.00 0.00 C ATOM 0 H VAL A 73 -10.928 -3.767 -8.762 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.933 -2.464 -11.150 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.856 -2.295 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.831 -1.134 -9.167 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.337 -0.208 -9.442 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.080 -1.116 -10.780 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.775 -3.604 -9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.013 -3.690 -10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.238 -4.478 -9.308 1.00 0.00 H new ATOM 1068 N SER A 74 -11.148 -0.062 -10.695 1.00 0.00 N ATOM 1069 CA SER A 74 -10.481 1.207 -10.494 1.00 0.00 C ATOM 1070 C SER A 74 -11.256 1.970 -9.447 1.00 0.00 C ATOM 1071 O SER A 74 -12.416 2.316 -9.667 1.00 0.00 O ATOM 1072 CB SER A 74 -10.419 2.002 -11.799 1.00 0.00 C ATOM 1073 OG SER A 74 -9.755 1.268 -12.814 1.00 0.00 O ATOM 0 H SER A 74 -11.739 -0.117 -11.525 1.00 0.00 H new ATOM 0 HA SER A 74 -9.455 1.044 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.429 2.249 -12.126 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.900 2.945 -11.629 1.00 0.00 H new ATOM 0 HG SER A 74 -9.731 1.798 -13.638 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.635 2.231 -8.296 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.316 2.931 -7.274 1.00 0.00 C ATOM 1081 C LEU A 75 -10.939 4.365 -7.394 1.00 0.00 C ATOM 1082 O LEU A 75 -10.122 4.883 -6.647 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.939 2.391 -5.901 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.478 2.609 -5.525 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.344 2.924 -4.043 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.645 1.395 -5.890 1.00 0.00 C ATOM 0 H LEU A 75 -9.676 1.962 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.393 2.806 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.571 2.865 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.155 1.323 -5.871 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.105 3.463 -6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.293 3.076 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.905 3.829 -3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.737 2.093 -3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.605 1.571 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.020 0.522 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.710 1.219 -6.964 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.544 5.008 -8.343 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.259 6.387 -8.560 1.00 0.00 C ATOM 1100 C GLU A 76 -12.264 7.225 -7.786 1.00 0.00 C ATOM 1101 O GLU A 76 -12.681 8.295 -8.231 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.304 6.729 -10.051 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.522 7.981 -10.412 1.00 0.00 C ATOM 1104 CD GLU A 76 -11.279 8.890 -11.361 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -11.842 8.377 -12.351 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -11.311 10.112 -11.113 1.00 0.00 O ATOM 0 H GLU A 76 -12.234 4.602 -8.975 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.252 6.606 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.909 5.887 -10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.343 6.860 -10.354 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.284 8.531 -9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.575 7.694 -10.868 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.681 6.696 -6.637 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.663 7.351 -5.823 1.00 0.00 C ATOM 1115 C GLY A 77 -14.987 6.630 -5.918 1.00 0.00 C ATOM 1116 O GLY A 77 -16.036 7.171 -5.569 1.00 0.00 O ATOM 0 H GLY A 77 -12.343 5.810 -6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.328 7.376 -4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.781 8.386 -6.145 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.920 5.390 -6.401 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.093 4.556 -6.558 1.00 0.00 C ATOM 1122 C ALA A 78 -16.411 3.839 -5.269 1.00 0.00 C ATOM 1123 O ALA A 78 -17.543 3.916 -4.796 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.887 3.554 -7.684 1.00 0.00 C ATOM 0 H ALA A 78 -14.050 4.944 -6.691 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.937 5.197 -6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.778 2.935 -7.788 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.705 4.087 -8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.030 2.920 -7.455 1.00 0.00 H new ATOM 1130 N THR A 79 -15.425 3.128 -4.696 1.00 0.00 N ATOM 1131 CA THR A 79 -15.644 2.401 -3.479 1.00 0.00 C ATOM 1132 C THR A 79 -17.063 2.063 -3.299 1.00 0.00 C ATOM 1133 O THR A 79 -17.520 1.082 -3.868 1.00 0.00 O ATOM 1134 CB THR A 79 -15.121 3.137 -2.274 1.00 0.00 C ATOM 1135 OG1 THR A 79 -14.938 4.519 -2.527 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.843 2.556 -1.886 1.00 0.00 C ATOM 0 H THR A 79 -14.479 3.054 -5.071 1.00 0.00 H new ATOM 0 HA THR A 79 -15.080 1.473 -3.569 1.00 0.00 H new ATOM 0 HB THR A 79 -15.858 3.039 -1.477 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.802 4.992 -1.679 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.454 3.081 -1.014 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.981 1.502 -1.643 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.136 2.649 -2.710 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.745 2.865 -2.488 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.138 2.627 -2.210 1.00 0.00 C ATOM 1146 C HIS A 80 -19.472 1.194 -2.596 1.00 0.00 C ATOM 1147 O HIS A 80 -19.501 0.305 -1.747 1.00 0.00 O ATOM 1148 CB HIS A 80 -19.999 3.675 -2.925 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.370 3.218 -3.271 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.791 2.555 -4.347 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.480 3.435 -2.485 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.145 2.372 -4.220 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.539 2.914 -3.081 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.349 3.679 -2.018 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.355 2.736 -1.147 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.074 4.558 -2.291 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.491 3.981 -3.839 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.485 3.948 -1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.782 1.869 -4.932 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.494 2.928 -2.724 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.674 0.955 -3.876 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.922 -0.392 -4.341 1.00 0.00 C ATOM 1164 C LYS A 81 -18.645 -1.227 -4.577 1.00 0.00 C ATOM 1165 O LYS A 81 -18.437 -2.280 -3.981 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.742 -0.349 -5.632 1.00 0.00 C ATOM 1167 CG LYS A 81 -21.234 -1.713 -6.085 1.00 0.00 C ATOM 1168 CD LYS A 81 -22.659 -1.974 -5.623 1.00 0.00 C ATOM 1169 CE LYS A 81 -23.166 -3.321 -6.113 1.00 0.00 C ATOM 1170 NZ LYS A 81 -24.416 -3.730 -5.416 1.00 0.00 N ATOM 0 H LYS A 81 -19.671 1.668 -4.605 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.471 -0.888 -3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.600 0.307 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.135 0.091 -6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -21.186 -1.776 -7.172 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.575 -2.487 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.701 -1.942 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -23.312 -1.183 -5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -23.348 -3.272 -7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.398 -4.078 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.729 -4.653 -5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -24.236 -3.802 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -25.157 -3.021 -5.588 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.826 -0.740 -5.519 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.626 -1.457 -5.985 1.00 0.00 C ATOM 1186 C GLN A 82 -15.444 -1.553 -5.067 1.00 0.00 C ATOM 1187 O GLN A 82 -14.922 -2.641 -4.854 1.00 0.00 O ATOM 1188 CB GLN A 82 -16.088 -0.779 -7.253 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.173 -0.383 -8.234 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.623 0.169 -9.534 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.648 1.064 -9.432 1.00 0.00 O flip ATOM 1192 NE2 GLN A 82 -17.069 -0.206 -10.619 1.00 0.00 N flip ATOM 0 H GLN A 82 -17.974 0.158 -5.979 1.00 0.00 H new ATOM 0 HA GLN A 82 -17.007 -2.471 -6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.524 0.110 -6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.390 -1.454 -7.748 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.795 -1.252 -8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.818 0.365 -7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.819 -0.896 -10.651 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.688 0.174 -11.486 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.948 -0.436 -4.609 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.724 -0.513 -3.819 1.00 0.00 C ATOM 1203 C ALA A 83 -13.925 -0.992 -2.428 1.00 0.00 C ATOM 1204 O ALA A 83 -13.264 -1.920 -1.972 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.898 0.767 -3.889 1.00 0.00 C ATOM 0 H ALA A 83 -15.337 0.496 -4.751 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.131 -1.293 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.999 0.654 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.616 0.962 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.488 1.602 -3.510 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.853 -0.402 -1.771 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.135 -0.784 -0.418 1.00 0.00 C ATOM 1213 C VAL A 84 -15.617 -2.211 -0.376 1.00 0.00 C ATOM 1214 O VAL A 84 -15.159 -3.022 0.437 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.165 0.144 0.251 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.113 0.704 -0.780 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -16.942 -0.589 1.330 1.00 0.00 C ATOM 0 H VAL A 84 -15.437 0.349 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.207 -0.693 0.146 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.623 0.966 0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.836 1.358 -0.292 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.551 1.273 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.639 -0.114 -1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.662 0.091 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.470 -1.434 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.252 -0.951 2.093 1.00 0.00 H new ATOM 1227 N GLU A 85 -16.535 -2.519 -1.270 1.00 0.00 N ATOM 1228 CA GLU A 85 -17.065 -3.867 -1.329 1.00 0.00 C ATOM 1229 C GLU A 85 -15.987 -4.855 -1.666 1.00 0.00 C ATOM 1230 O GLU A 85 -16.051 -6.014 -1.267 1.00 0.00 O ATOM 1231 CB GLU A 85 -18.089 -4.001 -2.419 1.00 0.00 C ATOM 1232 CG GLU A 85 -19.017 -5.186 -2.234 1.00 0.00 C ATOM 1233 CD GLU A 85 -20.100 -5.251 -3.291 1.00 0.00 C ATOM 1234 OE1 GLU A 85 -19.767 -5.507 -4.467 1.00 0.00 O ATOM 1235 OE2 GLU A 85 -21.282 -5.044 -2.944 1.00 0.00 O ATOM 0 H GLU A 85 -16.924 -1.869 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.498 -4.063 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.683 -3.088 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.578 -4.096 -3.377 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.434 -6.106 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.480 -5.130 -1.249 1.00 0.00 H new ATOM 1242 N THR A 86 -15.036 -4.417 -2.473 1.00 0.00 N ATOM 1243 CA THR A 86 -14.018 -5.324 -2.921 1.00 0.00 C ATOM 1244 C THR A 86 -12.979 -5.612 -1.843 1.00 0.00 C ATOM 1245 O THR A 86 -12.518 -6.744 -1.711 1.00 0.00 O ATOM 1246 CB THR A 86 -13.387 -4.841 -4.226 1.00 0.00 C ATOM 1247 OG1 THR A 86 -13.017 -5.948 -5.019 1.00 0.00 O ATOM 1248 CG2 THR A 86 -12.171 -3.957 -4.055 1.00 0.00 C ATOM 0 H THR A 86 -14.955 -3.461 -2.819 1.00 0.00 H new ATOM 0 HA THR A 86 -14.502 -6.278 -3.129 1.00 0.00 H new ATOM 0 HB THR A 86 -14.156 -4.233 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.784 -6.703 -4.439 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.793 -3.664 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.446 -3.066 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.397 -4.503 -3.516 1.00 0.00 H new ATOM 1256 N LEU A 87 -12.637 -4.604 -1.048 1.00 0.00 N ATOM 1257 CA LEU A 87 -11.677 -4.803 0.038 1.00 0.00 C ATOM 1258 C LEU A 87 -12.241 -5.833 0.997 1.00 0.00 C ATOM 1259 O LEU A 87 -11.526 -6.685 1.526 1.00 0.00 O ATOM 1260 CB LEU A 87 -11.408 -3.499 0.790 1.00 0.00 C ATOM 1261 CG LEU A 87 -11.153 -2.291 -0.099 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -11.718 -1.030 0.536 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -9.664 -2.134 -0.373 1.00 0.00 C ATOM 0 H LEU A 87 -13.002 -3.655 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.733 -5.146 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.261 -3.285 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.545 -3.642 1.441 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.661 -2.451 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.526 -0.177 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.793 -1.144 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.241 -0.864 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.501 -1.265 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.133 -1.998 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.290 -3.027 -0.874 1.00 0.00 H new ATOM 1275 N ARG A 88 -13.546 -5.739 1.193 1.00 0.00 N ATOM 1276 CA ARG A 88 -14.273 -6.649 2.067 1.00 0.00 C ATOM 1277 C ARG A 88 -14.482 -7.993 1.423 1.00 0.00 C ATOM 1278 O ARG A 88 -14.579 -9.007 2.115 1.00 0.00 O ATOM 1279 CB ARG A 88 -15.626 -6.051 2.449 1.00 0.00 C ATOM 1280 CG ARG A 88 -15.549 -5.058 3.599 1.00 0.00 C ATOM 1281 CD ARG A 88 -16.273 -3.761 3.270 1.00 0.00 C ATOM 1282 NE ARG A 88 -15.561 -2.593 3.780 1.00 0.00 N ATOM 1283 CZ ARG A 88 -15.625 -2.177 5.044 1.00 0.00 C ATOM 1284 NH1 ARG A 88 -16.364 -2.834 5.930 1.00 0.00 N ATOM 1285 NH2 ARG A 88 -14.945 -1.104 5.423 1.00 0.00 N ATOM 0 H ARG A 88 -14.132 -5.031 0.752 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.668 -6.791 2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.053 -5.554 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -16.307 -6.858 2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.986 -5.502 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.505 -4.845 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -16.387 -3.673 2.189 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.276 -3.788 3.695 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.980 -2.064 3.130 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.887 -3.662 5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.409 -2.511 6.896 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.373 -0.597 4.747 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.994 -0.785 6.391 1.00 0.00 H new ATOM 1299 N ASN A 89 -14.599 -8.011 0.112 1.00 0.00 N ATOM 1300 CA ASN A 89 -14.852 -9.254 -0.564 1.00 0.00 C ATOM 1301 C ASN A 89 -13.601 -9.893 -1.145 1.00 0.00 C ATOM 1302 O ASN A 89 -13.649 -11.006 -1.670 1.00 0.00 O ATOM 1303 CB ASN A 89 -15.890 -9.026 -1.642 1.00 0.00 C ATOM 1304 CG ASN A 89 -17.236 -9.636 -1.301 1.00 0.00 C ATOM 1305 OD1 ASN A 89 -17.807 -9.357 -0.247 1.00 0.00 O ATOM 1306 ND2 ASN A 89 -17.749 -10.474 -2.193 1.00 0.00 N ATOM 0 H ASN A 89 -14.524 -7.193 -0.493 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.224 -9.961 0.177 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.012 -7.955 -1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.532 -9.449 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -18.652 -10.916 -2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -17.241 -10.676 -3.054 1.00 0.00 H new ATOM 1313 N THR A 90 -12.494 -9.191 -1.040 1.00 0.00 N ATOM 1314 CA THR A 90 -11.210 -9.680 -1.537 1.00 0.00 C ATOM 1315 C THR A 90 -10.994 -11.136 -1.143 1.00 0.00 C ATOM 1316 O THR A 90 -11.783 -11.714 -0.396 1.00 0.00 O ATOM 1317 CB THR A 90 -10.061 -8.839 -0.982 1.00 0.00 C ATOM 1318 OG1 THR A 90 -10.286 -8.511 0.378 1.00 0.00 O ATOM 1319 CG2 THR A 90 -9.841 -7.552 -1.738 1.00 0.00 C ATOM 0 H THR A 90 -12.450 -8.267 -0.610 1.00 0.00 H new ATOM 0 HA THR A 90 -11.227 -9.600 -2.624 1.00 0.00 H new ATOM 0 HB THR A 90 -9.172 -9.460 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.664 -7.609 0.439 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.011 -7.005 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.609 -7.777 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.744 -6.943 -1.691 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.911 -11.719 -1.629 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.619 -13.100 -1.291 1.00 0.00 C ATOM 1329 C GLY A 91 -9.938 -14.074 -2.410 1.00 0.00 C ATOM 1330 O GLY A 91 -9.031 -14.707 -2.949 1.00 0.00 O ATOM 0 H GLY A 91 -9.234 -11.269 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.564 -13.188 -1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.189 -13.378 -0.404 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.228 -14.201 -2.766 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.647 -15.114 -3.842 1.00 0.00 C ATOM 1336 C GLN A 92 -10.568 -15.170 -4.916 1.00 0.00 C ATOM 1337 O GLN A 92 -10.213 -16.234 -5.422 1.00 0.00 O ATOM 1338 CB GLN A 92 -12.973 -14.652 -4.451 1.00 0.00 C ATOM 1339 CG GLN A 92 -12.950 -13.213 -4.937 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.261 -12.792 -5.573 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -15.324 -12.904 -4.964 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.190 -12.305 -6.806 1.00 0.00 N ATOM 0 H GLN A 92 -11.993 -13.687 -2.328 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.789 -16.110 -3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.227 -15.305 -5.286 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.763 -14.763 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.729 -12.553 -4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.144 -13.090 -5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.287 -12.230 -7.273 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.039 -12.006 -7.286 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.035 -13.998 -5.211 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.003 -13.797 -6.124 1.00 0.00 C ATOM 1353 C VAL A 93 -8.832 -12.314 -6.248 1.00 0.00 C ATOM 1354 O VAL A 93 -9.728 -11.608 -6.712 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.256 -14.451 -7.455 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.100 -13.588 -8.385 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -7.900 -14.727 -7.990 1.00 0.00 C ATOM 0 H VAL A 93 -10.353 -13.132 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.089 -14.270 -5.765 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.847 -15.362 -7.359 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.250 -14.110 -9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.067 -13.391 -7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.588 -12.644 -8.570 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.984 -15.207 -8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.352 -13.790 -8.093 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.366 -15.387 -7.306 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.738 -11.823 -5.724 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.542 -10.424 -5.679 1.00 0.00 C ATOM 1369 C VAL A 94 -6.369 -9.951 -6.490 1.00 0.00 C ATOM 1370 O VAL A 94 -5.264 -10.486 -6.442 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.333 -9.982 -4.258 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.919 -9.502 -4.158 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.332 -8.903 -3.845 1.00 0.00 C ATOM 0 H VAL A 94 -6.981 -12.380 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.442 -9.985 -6.110 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.504 -10.810 -3.571 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.719 -9.169 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.240 -10.315 -4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.767 -8.672 -4.848 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.146 -8.612 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.218 -8.034 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.346 -9.292 -3.936 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.645 -8.897 -7.168 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.664 -8.188 -7.961 1.00 0.00 C ATOM 1385 C HIS A 95 -5.761 -6.693 -7.718 1.00 0.00 C ATOM 1386 O HIS A 95 -6.789 -6.089 -8.007 1.00 0.00 O ATOM 1387 CB HIS A 95 -5.817 -8.572 -9.409 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.406 -9.985 -9.573 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.150 -11.031 -9.111 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.260 -10.520 -10.008 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.453 -12.133 -9.257 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.320 -11.851 -9.811 1.00 0.00 N ATOM 0 H HIS A 95 -7.576 -8.481 -7.199 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.657 -8.475 -7.658 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.851 -8.440 -9.727 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.205 -7.925 -10.038 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.432 -9.979 -10.441 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.775 -13.120 -8.961 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.594 -12.523 -10.058 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.726 -6.096 -7.148 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.754 -4.721 -6.839 1.00 0.00 C ATOM 1403 C LEU A 96 -3.648 -3.900 -7.395 1.00 0.00 C ATOM 1404 O LEU A 96 -2.494 -4.236 -7.268 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.713 -4.544 -5.349 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.842 -3.714 -4.956 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.310 -4.007 -3.536 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.541 -2.241 -5.181 1.00 0.00 C ATOM 0 H LEU A 96 -3.858 -6.570 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.674 -4.367 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.762 -5.512 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.775 -4.077 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.680 -3.974 -5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.154 -3.362 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.617 -5.050 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.494 -3.819 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.401 -1.644 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.673 -1.952 -4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.333 -2.069 -6.237 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.032 -2.756 -7.908 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.068 -1.795 -8.373 1.00 0.00 C ATOM 1422 C LEU A 97 -3.071 -0.607 -7.424 1.00 0.00 C ATOM 1423 O LEU A 97 -4.065 0.110 -7.314 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.395 -1.346 -9.787 1.00 0.00 C ATOM 1425 CG LEU A 97 -2.885 -2.294 -10.850 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.366 -1.873 -12.231 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.366 -2.354 -10.793 1.00 0.00 C ATOM 0 H LEU A 97 -5.005 -2.470 -8.013 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.078 -2.251 -8.392 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.476 -1.246 -9.888 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.966 -0.358 -9.955 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.283 -3.290 -10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.986 -2.571 -12.977 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.456 -1.876 -12.253 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.002 -0.870 -12.453 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.000 -3.037 -11.559 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.956 -1.359 -10.968 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.052 -2.708 -9.811 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.961 -0.429 -6.725 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.821 0.648 -5.743 1.00 0.00 C ATOM 1441 C LEU A 98 -0.783 1.664 -6.145 1.00 0.00 C ATOM 1442 O LEU A 98 0.216 1.335 -6.777 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.437 0.043 -4.400 1.00 0.00 C ATOM 1444 CG LEU A 98 -0.040 0.386 -3.863 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.094 1.668 -3.043 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.448 -0.795 -3.054 1.00 0.00 C ATOM 0 H LEU A 98 -1.134 -1.019 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.777 1.167 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.173 0.360 -3.661 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.514 -1.041 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 98 0.661 0.569 -4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.902 1.902 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.446 2.487 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.776 1.535 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.441 -0.580 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.239 -0.979 -2.228 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.495 -1.678 -3.691 1.00 0.00 H new ATOM 1458 N GLU A 99 -1.005 2.893 -5.714 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.050 3.955 -5.975 1.00 0.00 C ATOM 1460 C GLU A 99 0.519 4.479 -4.675 1.00 0.00 C ATOM 1461 O GLU A 99 -0.196 4.914 -3.774 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.638 5.078 -6.835 1.00 0.00 C ATOM 1463 CG GLU A 99 -0.639 6.460 -6.188 1.00 0.00 C ATOM 1464 CD GLU A 99 -1.518 7.447 -6.929 1.00 0.00 C ATOM 1465 OE1 GLU A 99 -2.619 7.051 -7.365 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -1.105 8.617 -7.074 1.00 0.00 O ATOM 0 H GLU A 99 -1.830 3.179 -5.187 1.00 0.00 H new ATOM 0 HA GLU A 99 0.765 3.529 -6.560 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.076 5.132 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -1.663 4.816 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.983 6.375 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.381 6.842 -6.153 1.00 0.00 H new ATOM 1473 N LYS A 100 1.823 4.376 -4.588 1.00 0.00 N ATOM 1474 CA LYS A 100 2.554 4.775 -3.408 1.00 0.00 C ATOM 1475 C LYS A 100 2.734 6.278 -3.315 1.00 0.00 C ATOM 1476 O LYS A 100 3.480 6.880 -4.088 1.00 0.00 O ATOM 1477 CB LYS A 100 3.894 4.058 -3.413 1.00 0.00 C ATOM 1478 CG LYS A 100 4.140 3.255 -2.150 1.00 0.00 C ATOM 1479 CD LYS A 100 2.992 2.288 -1.902 1.00 0.00 C ATOM 1480 CE LYS A 100 3.451 0.840 -1.969 1.00 0.00 C ATOM 1481 NZ LYS A 100 3.309 0.275 -3.341 1.00 0.00 N ATOM 0 H LYS A 100 2.411 4.011 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 100 1.979 4.493 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.941 3.393 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.692 4.791 -3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.076 2.703 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.247 3.928 -1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.555 2.486 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.209 2.456 -2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.493 0.775 -1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.869 0.242 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.113 -0.745 -3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.524 0.748 -3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.191 0.426 -3.872 1.00 0.00 H new ATOM 1495 N GLY A 101 2.051 6.875 -2.345 1.00 0.00 N ATOM 1496 CA GLY A 101 2.152 8.301 -2.139 1.00 0.00 C ATOM 1497 C GLY A 101 1.901 8.676 -0.698 1.00 0.00 C ATOM 1498 O GLY A 101 1.312 9.716 -0.403 1.00 0.00 O ATOM 0 H GLY A 101 1.428 6.392 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.143 8.642 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.433 8.813 -2.779 1.00 0.00 H new ATOM 1502 N GLN A 102 2.350 7.808 0.196 1.00 0.00 N ATOM 1503 CA GLN A 102 2.186 8.008 1.626 1.00 0.00 C ATOM 1504 C GLN A 102 2.722 9.371 2.061 1.00 0.00 C ATOM 1505 O GLN A 102 1.956 10.310 2.278 1.00 0.00 O ATOM 1506 CB GLN A 102 2.898 6.891 2.394 1.00 0.00 C ATOM 1507 CG GLN A 102 1.961 5.815 2.918 1.00 0.00 C ATOM 1508 CD GLN A 102 2.673 4.796 3.786 1.00 0.00 C ATOM 1509 OE1 GLN A 102 3.431 3.963 3.290 1.00 0.00 O ATOM 1510 NE2 GLN A 102 2.432 4.858 5.091 1.00 0.00 N ATOM 0 H GLN A 102 2.838 6.947 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 102 1.120 7.979 1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.639 6.429 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.440 7.328 3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.162 6.283 3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.491 5.306 2.076 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.796 5.565 5.459 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.883 4.198 5.725 1.00 0.00 H new ATOM 1519 N SER A 103 4.041 9.470 2.189 1.00 0.00 N ATOM 1520 CA SER A 103 4.678 10.715 2.603 1.00 0.00 C ATOM 1521 C SER A 103 5.044 11.579 1.396 1.00 0.00 C ATOM 1522 O SER A 103 4.697 12.759 1.342 1.00 0.00 O ATOM 1523 CB SER A 103 5.931 10.422 3.433 1.00 0.00 C ATOM 1524 OG SER A 103 5.955 9.071 3.863 1.00 0.00 O ATOM 0 H SER A 103 4.690 8.703 2.012 1.00 0.00 H new ATOM 0 HA SER A 103 3.964 11.267 3.214 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.821 10.634 2.841 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.960 11.083 4.299 1.00 0.00 H new ATOM 0 HG SER A 103 6.766 8.910 4.389 1.00 0.00 H new ATOM 1530 N PRO A 104 5.756 11.005 0.409 1.00 0.00 N ATOM 1531 CA PRO A 104 6.166 11.735 -0.793 1.00 0.00 C ATOM 1532 C PRO A 104 5.017 12.389 -1.501 1.00 0.00 C ATOM 1533 O PRO A 104 3.849 12.127 -1.215 1.00 0.00 O ATOM 1534 CB PRO A 104 6.817 10.665 -1.672 1.00 0.00 C ATOM 1535 CG PRO A 104 7.236 9.598 -0.722 1.00 0.00 C ATOM 1536 CD PRO A 104 6.218 9.607 0.383 1.00 0.00 C ATOM 0 HA PRO A 104 6.837 12.558 -0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.116 10.282 -2.414 1.00 0.00 H new ATOM 0 HB3 PRO A 104 7.671 11.067 -2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.268 8.627 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.236 9.792 -0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.399 8.917 0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 104 6.656 9.311 1.336 1.00 0.00 H new ATOM 1544 N THR A 105 5.367 13.279 -2.407 1.00 0.00 N ATOM 1545 CA THR A 105 4.375 14.016 -3.137 1.00 0.00 C ATOM 1546 C THR A 105 3.654 13.127 -4.143 1.00 0.00 C ATOM 1547 O THR A 105 3.932 13.178 -5.341 1.00 0.00 O ATOM 1548 CB THR A 105 5.005 15.217 -3.843 1.00 0.00 C ATOM 1549 OG1 THR A 105 5.838 15.941 -2.955 1.00 0.00 O ATOM 1550 CG2 THR A 105 3.984 16.183 -4.404 1.00 0.00 C ATOM 0 H THR A 105 6.332 13.504 -2.650 1.00 0.00 H new ATOM 0 HA THR A 105 3.639 14.380 -2.420 1.00 0.00 H new ATOM 0 HB THR A 105 5.579 14.798 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.233 16.704 -3.426 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.497 17.012 -4.892 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.356 15.667 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.363 16.566 -3.595 1.00 0.00 H new ATOM 1558 N SER A 106 2.725 12.312 -3.652 1.00 0.00 N ATOM 1559 CA SER A 106 1.962 11.408 -4.510 1.00 0.00 C ATOM 1560 C SER A 106 2.832 10.253 -4.999 1.00 0.00 C ATOM 1561 O SER A 106 2.537 9.088 -4.732 1.00 0.00 O ATOM 1562 CB SER A 106 1.379 12.166 -5.706 1.00 0.00 C ATOM 1563 OG SER A 106 0.084 11.690 -6.030 1.00 0.00 O ATOM 0 H SER A 106 2.481 12.258 -2.663 1.00 0.00 H new ATOM 0 HA SER A 106 1.144 10.997 -3.918 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.332 13.231 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.037 12.054 -6.568 1.00 0.00 H new ATOM 0 HG SER A 106 -0.267 12.191 -6.796 1.00 0.00 H new ATOM 1569 N LYS A 107 3.901 10.581 -5.718 1.00 0.00 N ATOM 1570 CA LYS A 107 4.809 9.567 -6.243 1.00 0.00 C ATOM 1571 C LYS A 107 6.096 10.203 -6.756 1.00 0.00 C ATOM 1572 O LYS A 107 6.688 9.732 -7.728 1.00 0.00 O ATOM 1573 CB LYS A 107 4.132 8.780 -7.366 1.00 0.00 C ATOM 1574 CG LYS A 107 3.789 9.625 -8.581 1.00 0.00 C ATOM 1575 CD LYS A 107 2.551 9.103 -9.292 1.00 0.00 C ATOM 1576 CE LYS A 107 1.843 10.206 -10.061 1.00 0.00 C ATOM 1577 NZ LYS A 107 0.859 10.933 -9.212 1.00 0.00 N ATOM 0 H LYS A 107 4.160 11.540 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 107 5.061 8.885 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.788 7.966 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 107 3.219 8.326 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.624 10.657 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.632 9.629 -9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.834 8.304 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.867 8.670 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.580 10.910 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.332 9.777 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.740 11.902 -9.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.056 10.439 -9.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.204 10.966 -8.232 1.00 0.00 H new ATOM 1591 N GLU A 108 6.526 11.275 -6.098 1.00 0.00 N ATOM 1592 CA GLU A 108 7.744 11.975 -6.488 1.00 0.00 C ATOM 1593 C GLU A 108 8.494 12.488 -5.262 1.00 0.00 C ATOM 1594 O GLU A 108 9.230 13.486 -5.397 1.00 0.00 O ATOM 1595 CB GLU A 108 7.411 13.140 -7.422 1.00 0.00 C ATOM 1596 CG GLU A 108 8.610 13.657 -8.199 1.00 0.00 C ATOM 1597 CD GLU A 108 8.677 13.098 -9.606 1.00 0.00 C ATOM 1598 OE1 GLU A 108 8.049 12.048 -9.860 1.00 0.00 O ATOM 1599 OE2 GLU A 108 9.359 13.709 -10.457 1.00 0.00 O ATOM 1600 OXT GLU A 108 8.335 11.887 -4.179 1.00 0.00 O ATOM 0 H GLU A 108 6.048 11.678 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 108 8.386 11.269 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 108 6.642 12.822 -8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.989 13.956 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 108 8.566 14.745 -8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 108 9.524 13.397 -7.665 1.00 0.00 H new TER 1607 GLU A 108