USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 949 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 65 THR OG1 : rot 180:sc= -0.0373 USER MOD Set 1.2: A 74 SER OG : rot 77:sc= 0.00971 USER MOD Single : A 3 THR OG1 : rot -31:sc= 0.533 USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0195) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 88:sc= -0.156 USER MOD Single : A 14 TYR OH : rot -59:sc= -1.13 USER MOD Single : A 15 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.4!) USER MOD Single : A 28 THR OG1 : rot -170:sc= -0.28 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.333 USER MOD Single : A 34 SER OG : rot -62:sc= 1.23 USER MOD Single : A 35 THR OG1 : rot -41:sc= 1.07 USER MOD Single : A 41 GLN : amide:sc=-0.000853 K(o=-0.00085,f=-1) USER MOD Single : A 45 TYR OH : rot -89:sc= 1.97 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0967 X(o=-0.097,f=-0.29) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 CYS SG : rot 148:sc= -3.3! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00198 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -86:sc= -0.14 USER MOD Single : A 85 ASN : amide:sc= -1.77! C(o=-1.8!,f=-5.5!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 90 GLN : amide:sc= -2.75! C(o=-2.8!,f=-4.1!) USER MOD Single : A 93 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.728) USER MOD Single : A 94 THR OG1 : rot 82:sc= 0.171 USER MOD Single : A 96 THR OG1 : rot 44:sc= 0.39 USER MOD Single : A 98 LYS NZ :NH3+ 147:sc= -1.38 (180deg=-4.18!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0.273 X(o=0.27,f=-0.071) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 110 LYS NZ :NH3+ -179:sc= -1.06 (180deg=-1.09) USER MOD Single : A 115 SER OG : rot 180:sc= -0.361 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N THR A 3 -3.626 -17.677 -10.535 1.00 0.00 N ATOM 14 CA THR A 3 -3.668 -16.424 -9.784 1.00 0.00 C ATOM 15 C THR A 3 -4.817 -15.542 -10.266 1.00 0.00 C ATOM 16 O THR A 3 -4.739 -14.926 -11.331 1.00 0.00 O ATOM 17 CB THR A 3 -2.339 -15.670 -9.912 1.00 0.00 C ATOM 18 OG1 THR A 3 -1.715 -15.952 -11.154 1.00 0.00 O ATOM 19 CG2 THR A 3 -1.351 -16.008 -8.817 1.00 0.00 C ATOM 0 HA THR A 3 -3.832 -16.668 -8.734 1.00 0.00 H new ATOM 0 HB THR A 3 -2.600 -14.615 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.942 -16.863 -11.435 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.433 -15.440 -8.967 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.780 -15.753 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.127 -17.074 -8.846 1.00 0.00 H new ATOM 27 N LYS A 4 -5.885 -15.490 -9.474 1.00 0.00 N ATOM 28 CA LYS A 4 -7.056 -14.689 -9.809 1.00 0.00 C ATOM 29 C LYS A 4 -7.195 -13.506 -8.855 1.00 0.00 C ATOM 30 O LYS A 4 -6.416 -13.365 -7.910 1.00 0.00 O ATOM 31 CB LYS A 4 -8.320 -15.549 -9.760 1.00 0.00 C ATOM 32 CG LYS A 4 -9.274 -15.298 -10.918 1.00 0.00 C ATOM 33 CD LYS A 4 -10.706 -15.116 -10.437 1.00 0.00 C ATOM 34 CE LYS A 4 -11.708 -15.498 -11.515 1.00 0.00 C ATOM 35 NZ LYS A 4 -11.531 -14.691 -12.756 1.00 0.00 N ATOM 0 H LYS A 4 -5.962 -15.996 -8.592 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.926 -14.305 -10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.034 -16.601 -9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.842 -15.359 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.958 -14.409 -11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.228 -16.134 -11.616 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.874 -15.727 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.863 -14.078 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.599 -16.556 -11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.720 -15.360 -11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.286 -14.924 -13.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.576 -13.679 -12.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.607 -14.907 -13.181 1.00 0.00 H new ATOM 49 N ILE A 5 -8.194 -12.663 -9.101 1.00 0.00 N ATOM 50 CA ILE A 5 -8.438 -11.498 -8.259 1.00 0.00 C ATOM 51 C ILE A 5 -9.921 -11.368 -7.920 1.00 0.00 C ATOM 52 O ILE A 5 -10.777 -11.390 -8.808 1.00 0.00 O ATOM 53 CB ILE A 5 -7.943 -10.195 -8.928 1.00 0.00 C ATOM 54 CG1 ILE A 5 -8.101 -9.009 -7.972 1.00 0.00 C ATOM 55 CG2 ILE A 5 -8.691 -9.935 -10.231 1.00 0.00 C ATOM 56 CD1 ILE A 5 -6.861 -8.148 -7.868 1.00 0.00 C ATOM 0 H ILE A 5 -8.848 -12.766 -9.877 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.873 -11.648 -7.339 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.885 -10.313 -9.162 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.935 -8.392 -8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.358 -9.383 -6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.325 -9.013 -10.683 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.526 -10.766 -10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.757 -9.840 -10.026 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.045 -7.328 -7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.029 -8.751 -7.505 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.615 -7.744 -8.850 1.00 0.00 H new ATOM 68 N ASP A 6 -10.217 -11.231 -6.630 1.00 0.00 N ATOM 69 CA ASP A 6 -11.593 -11.092 -6.168 1.00 0.00 C ATOM 70 C ASP A 6 -12.062 -9.650 -6.326 1.00 0.00 C ATOM 71 O ASP A 6 -11.821 -8.809 -5.459 1.00 0.00 O ATOM 72 CB ASP A 6 -11.716 -11.533 -4.705 1.00 0.00 C ATOM 73 CG ASP A 6 -11.239 -12.955 -4.485 1.00 0.00 C ATOM 74 OD1 ASP A 6 -11.753 -13.868 -5.167 1.00 0.00 O ATOM 75 OD2 ASP A 6 -10.352 -13.158 -3.630 1.00 0.00 O ATOM 0 H ASP A 6 -9.520 -11.213 -5.886 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.228 -11.735 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.137 -10.857 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.756 -11.449 -4.390 1.00 0.00 H new ATOM 80 N LYS A 7 -12.724 -9.370 -7.448 1.00 0.00 N ATOM 81 CA LYS A 7 -13.219 -8.026 -7.732 1.00 0.00 C ATOM 82 C LYS A 7 -14.223 -7.570 -6.674 1.00 0.00 C ATOM 83 O LYS A 7 -14.145 -6.443 -6.190 1.00 0.00 O ATOM 84 CB LYS A 7 -13.853 -7.969 -9.126 1.00 0.00 C ATOM 85 CG LYS A 7 -13.020 -7.197 -10.138 1.00 0.00 C ATOM 86 CD LYS A 7 -13.587 -7.322 -11.543 1.00 0.00 C ATOM 87 CE LYS A 7 -13.525 -5.998 -12.293 1.00 0.00 C ATOM 88 NZ LYS A 7 -14.808 -5.243 -12.197 1.00 0.00 N ATOM 0 H LYS A 7 -12.929 -10.056 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.368 -7.346 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.004 -8.985 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.838 -7.508 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.983 -6.146 -9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.995 -7.568 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.030 -8.080 -12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.621 -7.662 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.715 -5.390 -11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.292 -6.185 -13.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -14.724 -4.348 -12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.577 -5.812 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.018 -5.042 -11.199 1.00 0.00 H new ATOM 102 N GLU A 8 -15.159 -8.452 -6.316 1.00 0.00 N ATOM 103 CA GLU A 8 -16.173 -8.133 -5.310 1.00 0.00 C ATOM 104 C GLU A 8 -15.527 -7.660 -4.009 1.00 0.00 C ATOM 105 O GLU A 8 -15.963 -6.671 -3.416 1.00 0.00 O ATOM 106 CB GLU A 8 -17.058 -9.353 -5.039 1.00 0.00 C ATOM 107 CG GLU A 8 -18.273 -9.438 -5.950 1.00 0.00 C ATOM 108 CD GLU A 8 -17.899 -9.671 -7.401 1.00 0.00 C ATOM 109 OE1 GLU A 8 -17.454 -10.792 -7.726 1.00 0.00 O ATOM 110 OE2 GLU A 8 -18.046 -8.733 -8.213 1.00 0.00 O ATOM 0 H GLU A 8 -15.235 -9.391 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.790 -7.324 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.462 -10.258 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.393 -9.325 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -18.921 -10.247 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.847 -8.515 -5.870 1.00 0.00 H new ATOM 117 N ALA A 9 -14.487 -8.370 -3.572 1.00 0.00 N ATOM 118 CA ALA A 9 -13.782 -8.024 -2.342 1.00 0.00 C ATOM 119 C ALA A 9 -12.925 -6.774 -2.525 1.00 0.00 C ATOM 120 O ALA A 9 -13.001 -5.840 -1.726 1.00 0.00 O ATOM 121 CB ALA A 9 -12.925 -9.193 -1.882 1.00 0.00 C ATOM 0 H ALA A 9 -14.115 -9.189 -4.053 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.527 -7.807 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.404 -8.923 -0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -13.560 -10.059 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -12.196 -9.436 -2.655 1.00 0.00 H new ATOM 127 N CYS A 10 -12.109 -6.765 -3.580 1.00 0.00 N ATOM 128 CA CYS A 10 -11.231 -5.634 -3.872 1.00 0.00 C ATOM 129 C CYS A 10 -12.024 -4.334 -3.996 1.00 0.00 C ATOM 130 O CYS A 10 -11.616 -3.297 -3.471 1.00 0.00 O ATOM 131 CB CYS A 10 -10.450 -5.894 -5.161 1.00 0.00 C ATOM 132 SG CYS A 10 -8.949 -6.875 -4.930 1.00 0.00 S ATOM 0 H CYS A 10 -12.039 -7.532 -4.248 1.00 0.00 H new ATOM 0 HA CYS A 10 -10.533 -5.527 -3.042 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -11.100 -6.406 -5.870 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.181 -4.938 -5.609 1.00 0.00 H new ATOM 0 HG CYS A 10 -9.241 -8.139 -5.006 1.00 0.00 H new ATOM 138 N ARG A 11 -13.157 -4.396 -4.694 1.00 0.00 N ATOM 139 CA ARG A 11 -14.006 -3.222 -4.888 1.00 0.00 C ATOM 140 C ARG A 11 -14.677 -2.811 -3.581 1.00 0.00 C ATOM 141 O ARG A 11 -14.681 -1.631 -3.228 1.00 0.00 O ATOM 142 CB ARG A 11 -15.066 -3.492 -5.963 1.00 0.00 C ATOM 143 CG ARG A 11 -14.926 -2.607 -7.191 1.00 0.00 C ATOM 144 CD ARG A 11 -15.278 -3.360 -8.466 1.00 0.00 C ATOM 145 NE ARG A 11 -15.340 -2.471 -9.627 1.00 0.00 N ATOM 146 CZ ARG A 11 -16.397 -1.715 -9.941 1.00 0.00 C ATOM 147 NH1 ARG A 11 -17.489 -1.735 -9.181 1.00 0.00 N ATOM 148 NH2 ARG A 11 -16.360 -0.934 -11.016 1.00 0.00 N ATOM 0 H ARG A 11 -13.508 -5.246 -5.134 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.370 -2.402 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -15.003 -4.536 -6.269 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -16.056 -3.345 -5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -15.576 -1.738 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.904 -2.235 -7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.536 -4.138 -8.644 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -16.239 -3.859 -8.339 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.523 -2.425 -10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -17.523 -2.330 -8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.292 -1.156 -9.426 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.525 -0.911 -11.601 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.167 -0.357 -11.255 1.00 0.00 H new ATOM 162 N ALA A 12 -15.239 -3.788 -2.863 1.00 0.00 N ATOM 163 CA ALA A 12 -15.910 -3.523 -1.590 1.00 0.00 C ATOM 164 C ALA A 12 -15.015 -2.716 -0.653 1.00 0.00 C ATOM 165 O ALA A 12 -15.468 -1.764 -0.016 1.00 0.00 O ATOM 166 CB ALA A 12 -16.330 -4.828 -0.926 1.00 0.00 C ATOM 0 H ALA A 12 -15.242 -4.769 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.802 -2.932 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.827 -4.612 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -17.015 -5.366 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -15.449 -5.442 -0.740 1.00 0.00 H new ATOM 172 N ALA A 13 -13.741 -3.096 -0.580 1.00 0.00 N ATOM 173 CA ALA A 13 -12.780 -2.401 0.270 1.00 0.00 C ATOM 174 C ALA A 13 -12.405 -1.046 -0.326 1.00 0.00 C ATOM 175 O ALA A 13 -12.199 -0.075 0.401 1.00 0.00 O ATOM 176 CB ALA A 13 -11.538 -3.255 0.470 1.00 0.00 C ATOM 0 H ALA A 13 -13.351 -3.882 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.246 -2.227 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.830 -2.724 1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.816 -4.196 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.076 -3.458 -0.496 1.00 0.00 H new ATOM 182 N TYR A 14 -12.315 -0.993 -1.655 1.00 0.00 N ATOM 183 CA TYR A 14 -11.958 0.232 -2.364 1.00 0.00 C ATOM 184 C TYR A 14 -12.936 1.367 -2.068 1.00 0.00 C ATOM 185 O TYR A 14 -12.527 2.447 -1.636 1.00 0.00 O ATOM 186 CB TYR A 14 -11.916 -0.027 -3.870 1.00 0.00 C ATOM 187 CG TYR A 14 -11.060 0.959 -4.624 1.00 0.00 C ATOM 188 CD1 TYR A 14 -9.676 0.857 -4.613 1.00 0.00 C ATOM 189 CD2 TYR A 14 -11.637 1.993 -5.344 1.00 0.00 C ATOM 190 CE1 TYR A 14 -8.889 1.759 -5.301 1.00 0.00 C ATOM 191 CE2 TYR A 14 -10.859 2.901 -6.037 1.00 0.00 C ATOM 192 CZ TYR A 14 -9.485 2.779 -6.012 1.00 0.00 C ATOM 193 OH TYR A 14 -8.706 3.678 -6.699 1.00 0.00 O ATOM 0 H TYR A 14 -12.486 -1.792 -2.265 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.972 0.537 -2.013 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -11.539 -1.034 -4.047 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.931 0.008 -4.265 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.207 0.059 -4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -12.712 2.091 -5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.813 1.666 -5.282 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.324 3.701 -6.594 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.099 4.128 -6.075 1.00 0.00 H new ATOM 203 N ASN A 15 -14.226 1.128 -2.314 1.00 0.00 N ATOM 204 CA ASN A 15 -15.247 2.143 -2.085 1.00 0.00 C ATOM 205 C ASN A 15 -15.416 2.451 -0.596 1.00 0.00 C ATOM 206 O ASN A 15 -15.734 3.583 -0.228 1.00 0.00 O ATOM 207 CB ASN A 15 -16.583 1.713 -2.696 1.00 0.00 C ATOM 208 CG ASN A 15 -17.022 0.324 -2.264 1.00 0.00 C ATOM 209 OD1 ASN A 15 -17.211 0.061 -1.077 1.00 0.00 O ATOM 210 ND2 ASN A 15 -17.192 -0.567 -3.234 1.00 0.00 N ATOM 0 H ASN A 15 -14.584 0.242 -2.671 1.00 0.00 H new ATOM 0 HA ASN A 15 -14.914 3.057 -2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.352 2.433 -2.415 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.503 1.740 -3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -17.492 -1.516 -3.008 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -17.023 -0.303 -4.205 1.00 0.00 H new ATOM 217 N LEU A 16 -15.198 1.448 0.256 1.00 0.00 N ATOM 218 CA LEU A 16 -15.322 1.630 1.699 1.00 0.00 C ATOM 219 C LEU A 16 -14.208 2.529 2.229 1.00 0.00 C ATOM 220 O LEU A 16 -14.468 3.490 2.953 1.00 0.00 O ATOM 221 CB LEU A 16 -15.287 0.276 2.415 1.00 0.00 C ATOM 222 CG LEU A 16 -15.343 0.348 3.944 1.00 0.00 C ATOM 223 CD1 LEU A 16 -16.739 0.022 4.444 1.00 0.00 C ATOM 224 CD2 LEU A 16 -14.322 -0.597 4.560 1.00 0.00 C ATOM 0 H LEU A 16 -14.936 0.505 -0.029 1.00 0.00 H new ATOM 0 HA LEU A 16 -16.280 2.110 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -16.126 -0.325 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.376 -0.248 2.125 1.00 0.00 H new ATOM 0 HG LEU A 16 -15.099 1.366 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.758 0.078 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -17.450 0.738 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -17.013 -0.985 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -14.376 -0.533 5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.536 -1.619 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.322 -0.318 4.229 1.00 0.00 H new ATOM 236 N VAL A 17 -12.968 2.213 1.857 1.00 0.00 N ATOM 237 CA VAL A 17 -11.813 2.999 2.288 1.00 0.00 C ATOM 238 C VAL A 17 -11.818 4.381 1.632 1.00 0.00 C ATOM 239 O VAL A 17 -11.232 5.328 2.163 1.00 0.00 O ATOM 240 CB VAL A 17 -10.485 2.275 1.970 1.00 0.00 C ATOM 241 CG1 VAL A 17 -9.294 3.058 2.507 1.00 0.00 C ATOM 242 CG2 VAL A 17 -10.499 0.869 2.549 1.00 0.00 C ATOM 0 H VAL A 17 -12.738 1.419 1.259 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.890 3.118 3.369 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.385 2.208 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.372 2.527 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.271 4.046 2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.385 3.162 3.588 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.558 0.371 2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.625 0.922 3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.324 0.305 2.115 1.00 0.00 H new ATOM 252 N ARG A 18 -12.491 4.495 0.480 1.00 0.00 N ATOM 253 CA ARG A 18 -12.583 5.766 -0.239 1.00 0.00 C ATOM 254 C ARG A 18 -13.078 6.876 0.686 1.00 0.00 C ATOM 255 O ARG A 18 -12.627 8.017 0.593 1.00 0.00 O ATOM 256 CB ARG A 18 -13.520 5.635 -1.445 1.00 0.00 C ATOM 257 CG ARG A 18 -12.904 6.113 -2.752 1.00 0.00 C ATOM 258 CD ARG A 18 -13.971 6.438 -3.789 1.00 0.00 C ATOM 259 NE ARG A 18 -14.873 7.500 -3.337 1.00 0.00 N ATOM 260 CZ ARG A 18 -14.569 8.801 -3.356 1.00 0.00 C ATOM 261 NH1 ARG A 18 -13.384 9.213 -3.799 1.00 0.00 N ATOM 262 NH2 ARG A 18 -15.456 9.694 -2.926 1.00 0.00 N ATOM 0 H ARG A 18 -12.979 3.721 0.028 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.586 6.026 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.815 4.591 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.429 6.205 -1.252 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.295 6.998 -2.566 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.238 5.344 -3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.491 6.742 -4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.549 5.540 -4.007 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.791 7.229 -2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.698 8.533 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.161 10.208 -3.810 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.366 9.385 -2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.227 10.688 -2.939 1.00 0.00 H new ATOM 276 N ASP A 19 -14.000 6.526 1.588 1.00 0.00 N ATOM 277 CA ASP A 19 -14.543 7.488 2.540 1.00 0.00 C ATOM 278 C ASP A 19 -13.531 7.766 3.646 1.00 0.00 C ATOM 279 O ASP A 19 -13.119 6.854 4.367 1.00 0.00 O ATOM 280 CB ASP A 19 -15.849 6.968 3.146 1.00 0.00 C ATOM 281 CG ASP A 19 -16.643 8.063 3.830 1.00 0.00 C ATOM 282 OD1 ASP A 19 -16.383 8.329 5.023 1.00 0.00 O ATOM 283 OD2 ASP A 19 -17.521 8.657 3.172 1.00 0.00 O ATOM 0 H ASP A 19 -14.383 5.585 1.675 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.751 8.416 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.457 6.518 2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.625 6.181 3.866 1.00 0.00 H new ATOM 318 N ALA A 23 -12.858 6.046 10.283 1.00 0.00 N ATOM 319 CA ALA A 23 -11.715 5.526 11.036 1.00 0.00 C ATOM 320 C ALA A 23 -10.901 4.514 10.222 1.00 0.00 C ATOM 321 O ALA A 23 -10.284 3.606 10.783 1.00 0.00 O ATOM 322 CB ALA A 23 -12.186 4.905 12.347 1.00 0.00 C ATOM 0 HA ALA A 23 -11.056 6.366 11.255 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.327 4.522 12.898 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.693 5.661 12.946 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.875 4.087 12.135 1.00 0.00 H new ATOM 328 N VAL A 24 -10.901 4.680 8.898 1.00 0.00 N ATOM 329 CA VAL A 24 -10.165 3.789 8.009 1.00 0.00 C ATOM 330 C VAL A 24 -9.218 4.582 7.103 1.00 0.00 C ATOM 331 O VAL A 24 -9.658 5.421 6.314 1.00 0.00 O ATOM 332 CB VAL A 24 -11.136 2.944 7.151 1.00 0.00 C ATOM 333 CG1 VAL A 24 -11.910 3.816 6.171 1.00 0.00 C ATOM 334 CG2 VAL A 24 -10.393 1.835 6.418 1.00 0.00 C ATOM 0 H VAL A 24 -11.405 5.427 8.420 1.00 0.00 H new ATOM 0 HA VAL A 24 -9.571 3.117 8.628 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.856 2.481 7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.584 3.193 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.489 4.557 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.212 4.324 5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.099 1.256 5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.639 2.273 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.908 1.181 7.143 1.00 0.00 H new ATOM 344 N ILE A 25 -7.917 4.322 7.229 1.00 0.00 N ATOM 345 CA ILE A 25 -6.917 5.027 6.423 1.00 0.00 C ATOM 346 C ILE A 25 -6.104 4.069 5.549 1.00 0.00 C ATOM 347 O ILE A 25 -5.707 4.426 4.437 1.00 0.00 O ATOM 348 CB ILE A 25 -5.954 5.864 7.297 1.00 0.00 C ATOM 349 CG1 ILE A 25 -5.186 4.977 8.283 1.00 0.00 C ATOM 350 CG2 ILE A 25 -6.717 6.950 8.042 1.00 0.00 C ATOM 351 CD1 ILE A 25 -3.684 5.109 8.165 1.00 0.00 C ATOM 0 H ILE A 25 -7.531 3.634 7.876 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.478 5.701 5.775 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.228 6.337 6.636 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.487 5.231 9.299 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -5.466 3.937 8.118 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.023 7.529 8.652 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.206 7.609 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.469 6.491 8.684 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.203 4.454 8.892 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.372 4.827 7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.393 6.141 8.359 1.00 0.00 H new ATOM 363 N TRP A 26 -5.858 2.857 6.049 1.00 0.00 N ATOM 364 CA TRP A 26 -5.093 1.863 5.301 1.00 0.00 C ATOM 365 C TRP A 26 -5.804 0.512 5.299 1.00 0.00 C ATOM 366 O TRP A 26 -6.621 0.224 6.176 1.00 0.00 O ATOM 367 CB TRP A 26 -3.684 1.712 5.889 1.00 0.00 C ATOM 368 CG TRP A 26 -3.652 1.040 7.232 1.00 0.00 C ATOM 369 CD1 TRP A 26 -3.544 1.650 8.446 1.00 0.00 C ATOM 370 CD2 TRP A 26 -3.725 -0.370 7.497 1.00 0.00 C ATOM 371 NE1 TRP A 26 -3.549 0.711 9.449 1.00 0.00 N ATOM 372 CE2 TRP A 26 -3.659 -0.533 8.893 1.00 0.00 C ATOM 373 CE3 TRP A 26 -3.843 -1.511 6.694 1.00 0.00 C ATOM 374 CZ2 TRP A 26 -3.705 -1.782 9.502 1.00 0.00 C ATOM 375 CZ3 TRP A 26 -3.889 -2.752 7.301 1.00 0.00 C ATOM 376 CH2 TRP A 26 -3.822 -2.878 8.692 1.00 0.00 C ATOM 0 H TRP A 26 -6.177 2.543 6.965 1.00 0.00 H new ATOM 0 HA TRP A 26 -5.011 2.212 4.271 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.070 1.140 5.193 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -3.230 2.699 5.977 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -3.466 2.716 8.598 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -3.482 0.910 10.447 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -3.897 -1.423 5.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -3.650 -1.883 10.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.978 -3.639 6.691 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.864 -3.862 9.136 1.00 0.00 H new ATOM 387 N VAL A 27 -5.472 -0.312 4.310 1.00 0.00 N ATOM 388 CA VAL A 27 -6.054 -1.641 4.179 1.00 0.00 C ATOM 389 C VAL A 27 -5.030 -2.620 3.609 1.00 0.00 C ATOM 390 O VAL A 27 -4.123 -2.217 2.878 1.00 0.00 O ATOM 391 CB VAL A 27 -7.306 -1.632 3.278 1.00 0.00 C ATOM 392 CG1 VAL A 27 -8.444 -0.887 3.955 1.00 0.00 C ATOM 393 CG2 VAL A 27 -6.992 -1.016 1.921 1.00 0.00 C ATOM 0 H VAL A 27 -4.797 -0.079 3.582 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.352 -1.960 5.178 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.618 -2.664 3.117 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.319 -0.891 3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.690 -1.377 4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.141 0.142 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.890 -1.020 1.303 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.651 0.010 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.211 -1.596 1.430 1.00 0.00 H new ATOM 403 N THR A 28 -5.167 -3.901 3.946 1.00 0.00 N ATOM 404 CA THR A 28 -4.233 -4.911 3.453 1.00 0.00 C ATOM 405 C THR A 28 -4.726 -5.505 2.134 1.00 0.00 C ATOM 406 O THR A 28 -5.900 -5.380 1.792 1.00 0.00 O ATOM 407 CB THR A 28 -4.042 -6.013 4.504 1.00 0.00 C ATOM 408 OG1 THR A 28 -3.381 -5.502 5.647 1.00 0.00 O ATOM 409 CG2 THR A 28 -3.239 -7.199 4.009 1.00 0.00 C ATOM 0 H THR A 28 -5.906 -4.261 4.550 1.00 0.00 H new ATOM 0 HA THR A 28 -3.270 -4.433 3.270 1.00 0.00 H new ATOM 0 HB THR A 28 -5.050 -6.355 4.740 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.127 -6.243 6.236 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.147 -7.935 4.808 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.745 -7.651 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.246 -6.866 3.707 1.00 0.00 H new ATOM 417 N PHE A 29 -3.824 -6.148 1.396 1.00 0.00 N ATOM 418 CA PHE A 29 -4.177 -6.765 0.121 1.00 0.00 C ATOM 419 C PHE A 29 -3.352 -8.027 -0.107 1.00 0.00 C ATOM 420 O PHE A 29 -2.254 -7.979 -0.662 1.00 0.00 O ATOM 421 CB PHE A 29 -3.978 -5.778 -1.029 1.00 0.00 C ATOM 422 CG PHE A 29 -5.207 -4.970 -1.337 1.00 0.00 C ATOM 423 CD1 PHE A 29 -5.490 -3.810 -0.631 1.00 0.00 C ATOM 424 CD2 PHE A 29 -6.079 -5.371 -2.335 1.00 0.00 C ATOM 425 CE1 PHE A 29 -6.621 -3.068 -0.917 1.00 0.00 C ATOM 426 CE2 PHE A 29 -7.210 -4.634 -2.625 1.00 0.00 C ATOM 427 CZ PHE A 29 -7.482 -3.480 -1.916 1.00 0.00 C ATOM 0 H PHE A 29 -2.844 -6.255 1.659 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.230 -7.043 0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.160 -5.102 -0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.679 -6.327 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.820 -3.483 0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.872 -6.272 -2.894 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.831 -2.167 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.882 -4.960 -3.406 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.365 -2.901 -2.142 1.00 0.00 H new ATOM 437 N LYS A 30 -3.894 -9.158 0.332 1.00 0.00 N ATOM 438 CA LYS A 30 -3.222 -10.446 0.191 1.00 0.00 C ATOM 439 C LYS A 30 -4.065 -11.413 -0.639 1.00 0.00 C ATOM 440 O LYS A 30 -5.251 -11.174 -0.866 1.00 0.00 O ATOM 441 CB LYS A 30 -2.937 -11.042 1.575 1.00 0.00 C ATOM 442 CG LYS A 30 -4.191 -11.349 2.383 1.00 0.00 C ATOM 443 CD LYS A 30 -3.967 -11.135 3.874 1.00 0.00 C ATOM 444 CE LYS A 30 -3.157 -12.267 4.489 1.00 0.00 C ATOM 445 NZ LYS A 30 -2.132 -11.768 5.450 1.00 0.00 N ATOM 0 H LYS A 30 -4.803 -9.209 0.792 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.278 -10.287 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.361 -11.959 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.314 -10.347 2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.008 -10.713 2.043 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.495 -12.380 2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.449 -10.189 4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.930 -11.060 4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.829 -12.955 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.666 -12.832 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.605 -12.573 5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.474 -11.131 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.601 -11.251 6.221 1.00 0.00 H new ATOM 459 N TYR A 31 -3.453 -12.505 -1.092 1.00 0.00 N ATOM 460 CA TYR A 31 -4.168 -13.492 -1.896 1.00 0.00 C ATOM 461 C TYR A 31 -4.529 -14.724 -1.069 1.00 0.00 C ATOM 462 O TYR A 31 -3.660 -15.374 -0.483 1.00 0.00 O ATOM 463 CB TYR A 31 -3.346 -13.885 -3.131 1.00 0.00 C ATOM 464 CG TYR A 31 -2.079 -14.657 -2.826 1.00 0.00 C ATOM 465 CD1 TYR A 31 -0.892 -13.995 -2.538 1.00 0.00 C ATOM 466 CD2 TYR A 31 -2.069 -16.047 -2.837 1.00 0.00 C ATOM 467 CE1 TYR A 31 0.268 -14.695 -2.269 1.00 0.00 C ATOM 468 CE2 TYR A 31 -0.914 -16.754 -2.565 1.00 0.00 C ATOM 469 CZ TYR A 31 0.253 -16.073 -2.283 1.00 0.00 C ATOM 470 OH TYR A 31 1.406 -16.773 -2.016 1.00 0.00 O ATOM 0 H TYR A 31 -2.473 -12.727 -0.918 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.098 -13.036 -2.235 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.972 -14.486 -3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.082 -12.980 -3.678 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.876 -12.915 -2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.979 -16.583 -3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.183 -14.165 -2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.924 -17.834 -2.573 1.00 0.00 H new ATOM 0 HH TYR A 31 1.224 -17.735 -2.065 1.00 0.00 H new ATOM 480 N ASP A 32 -5.825 -15.036 -1.028 1.00 0.00 N ATOM 481 CA ASP A 32 -6.322 -16.186 -0.280 1.00 0.00 C ATOM 482 C ASP A 32 -6.950 -17.204 -1.225 1.00 0.00 C ATOM 483 O ASP A 32 -7.961 -16.925 -1.870 1.00 0.00 O ATOM 484 CB ASP A 32 -7.343 -15.738 0.770 1.00 0.00 C ATOM 485 CG ASP A 32 -7.024 -16.280 2.150 1.00 0.00 C ATOM 486 OD1 ASP A 32 -7.006 -17.518 2.313 1.00 0.00 O ATOM 487 OD2 ASP A 32 -6.790 -15.466 3.069 1.00 0.00 O ATOM 0 H ASP A 32 -6.551 -14.504 -1.508 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.481 -16.656 0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.369 -14.649 0.807 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.337 -16.071 0.472 1.00 0.00 H new ATOM 492 N GLY A 33 -6.335 -18.383 -1.312 1.00 0.00 N ATOM 493 CA GLY A 33 -6.838 -19.422 -2.192 1.00 0.00 C ATOM 494 C GLY A 33 -6.594 -19.099 -3.654 1.00 0.00 C ATOM 495 O GLY A 33 -7.445 -19.364 -4.501 1.00 0.00 O ATOM 0 H GLY A 33 -5.497 -18.635 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.358 -20.369 -1.945 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.907 -19.553 -2.024 1.00 0.00 H new ATOM 499 N SER A 34 -5.423 -18.516 -3.941 1.00 0.00 N ATOM 500 CA SER A 34 -5.040 -18.138 -5.303 1.00 0.00 C ATOM 501 C SER A 34 -5.885 -16.968 -5.828 1.00 0.00 C ATOM 502 O SER A 34 -5.996 -16.773 -7.039 1.00 0.00 O ATOM 503 CB SER A 34 -5.135 -19.347 -6.253 1.00 0.00 C ATOM 504 OG SER A 34 -6.409 -19.437 -6.867 1.00 0.00 O ATOM 0 H SER A 34 -4.719 -18.295 -3.237 1.00 0.00 H new ATOM 0 HA SER A 34 -4.003 -17.804 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.366 -19.266 -7.022 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.934 -20.263 -5.697 1.00 0.00 H new ATOM 0 HG SER A 34 -7.095 -19.564 -6.179 1.00 0.00 H new ATOM 510 N THR A 35 -6.468 -16.183 -4.914 1.00 0.00 N ATOM 511 CA THR A 35 -7.286 -15.036 -5.305 1.00 0.00 C ATOM 512 C THR A 35 -6.976 -13.815 -4.441 1.00 0.00 C ATOM 513 O THR A 35 -6.949 -13.900 -3.213 1.00 0.00 O ATOM 514 CB THR A 35 -8.776 -15.382 -5.224 1.00 0.00 C ATOM 515 OG1 THR A 35 -9.160 -15.678 -3.894 1.00 0.00 O ATOM 516 CG2 THR A 35 -9.160 -16.564 -6.085 1.00 0.00 C ATOM 0 H THR A 35 -6.388 -16.322 -3.907 1.00 0.00 H new ATOM 0 HA THR A 35 -7.041 -14.790 -6.338 1.00 0.00 H new ATOM 0 HB THR A 35 -9.294 -14.496 -5.591 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.463 -16.216 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.228 -16.757 -5.983 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.929 -16.345 -7.128 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.600 -17.443 -5.766 1.00 0.00 H new ATOM 524 N ILE A 36 -6.743 -12.681 -5.098 1.00 0.00 N ATOM 525 CA ILE A 36 -6.432 -11.436 -4.403 1.00 0.00 C ATOM 526 C ILE A 36 -7.649 -10.916 -3.642 1.00 0.00 C ATOM 527 O ILE A 36 -8.742 -10.819 -4.198 1.00 0.00 O ATOM 528 CB ILE A 36 -5.945 -10.347 -5.385 1.00 0.00 C ATOM 529 CG1 ILE A 36 -4.879 -10.910 -6.333 1.00 0.00 C ATOM 530 CG2 ILE A 36 -5.404 -9.145 -4.624 1.00 0.00 C ATOM 531 CD1 ILE A 36 -3.704 -11.547 -5.620 1.00 0.00 C ATOM 0 H ILE A 36 -6.764 -12.600 -6.115 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.632 -11.657 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.796 -10.021 -5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.341 -11.650 -6.986 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.513 -10.106 -6.972 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.066 -8.388 -5.332 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.191 -8.728 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.567 -9.457 -3.999 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.992 -11.922 -6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.216 -10.805 -4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.057 -12.373 -5.003 1.00 0.00 H new ATOM 543 N VAL A 37 -7.447 -10.586 -2.368 1.00 0.00 N ATOM 544 CA VAL A 37 -8.527 -10.082 -1.526 1.00 0.00 C ATOM 545 C VAL A 37 -7.984 -9.144 -0.443 1.00 0.00 C ATOM 546 O VAL A 37 -6.937 -9.408 0.150 1.00 0.00 O ATOM 547 CB VAL A 37 -9.313 -11.246 -0.874 1.00 0.00 C ATOM 548 CG1 VAL A 37 -8.381 -12.183 -0.114 1.00 0.00 C ATOM 549 CG2 VAL A 37 -10.414 -10.720 0.034 1.00 0.00 C ATOM 0 H VAL A 37 -6.545 -10.659 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.208 -9.520 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.782 -11.819 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.962 -12.990 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.646 -12.602 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.868 -11.628 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.950 -11.558 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.974 -10.110 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.108 -10.114 -0.549 1.00 0.00 H new ATOM 559 N PRO A 38 -8.689 -8.025 -0.174 1.00 0.00 N ATOM 560 CA PRO A 38 -8.264 -7.048 0.840 1.00 0.00 C ATOM 561 C PRO A 38 -8.069 -7.680 2.219 1.00 0.00 C ATOM 562 O PRO A 38 -8.555 -8.783 2.481 1.00 0.00 O ATOM 563 CB PRO A 38 -9.412 -6.034 0.870 1.00 0.00 C ATOM 564 CG PRO A 38 -10.076 -6.171 -0.456 1.00 0.00 C ATOM 565 CD PRO A 38 -9.945 -7.620 -0.834 1.00 0.00 C ATOM 0 HA PRO A 38 -7.298 -6.607 0.594 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.106 -6.246 1.683 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.041 -5.021 1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.124 -5.875 -0.401 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.602 -5.529 -1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.793 -8.207 -0.482 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.893 -7.752 -1.915 1.00 0.00 H new ATOM 573 N GLY A 39 -7.353 -6.974 3.093 1.00 0.00 N ATOM 574 CA GLY A 39 -7.096 -7.470 4.425 1.00 0.00 C ATOM 575 C GLY A 39 -7.349 -6.426 5.494 1.00 0.00 C ATOM 576 O GLY A 39 -8.206 -5.559 5.333 1.00 0.00 O ATOM 0 H GLY A 39 -6.946 -6.060 2.894 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.727 -8.338 4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.062 -7.808 4.490 1.00 0.00 H new ATOM 580 N GLU A 40 -6.593 -6.522 6.585 1.00 0.00 N ATOM 581 CA GLU A 40 -6.711 -5.615 7.727 1.00 0.00 C ATOM 582 C GLU A 40 -7.008 -4.179 7.307 1.00 0.00 C ATOM 583 O GLU A 40 -6.425 -3.664 6.356 1.00 0.00 O ATOM 584 CB GLU A 40 -5.437 -5.650 8.573 1.00 0.00 C ATOM 585 CG GLU A 40 -5.371 -6.825 9.540 1.00 0.00 C ATOM 586 CD GLU A 40 -5.347 -8.168 8.833 1.00 0.00 C ATOM 587 OE1 GLU A 40 -4.332 -8.476 8.173 1.00 0.00 O ATOM 588 OE2 GLU A 40 -6.344 -8.913 8.937 1.00 0.00 O ATOM 0 H GLU A 40 -5.875 -7.237 6.704 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.556 -5.966 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.573 -5.689 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.363 -4.721 9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.479 -6.730 10.160 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.230 -6.787 10.210 1.00 0.00 H new ATOM 595 N GLN A 41 -7.920 -3.549 8.040 1.00 0.00 N ATOM 596 CA GLN A 41 -8.316 -2.167 7.778 1.00 0.00 C ATOM 597 C GLN A 41 -8.426 -1.393 9.090 1.00 0.00 C ATOM 598 O GLN A 41 -9.397 -1.552 9.833 1.00 0.00 O ATOM 599 CB GLN A 41 -9.655 -2.124 7.032 1.00 0.00 C ATOM 600 CG GLN A 41 -9.784 -3.177 5.940 1.00 0.00 C ATOM 601 CD GLN A 41 -11.018 -2.979 5.078 1.00 0.00 C ATOM 602 OE1 GLN A 41 -12.087 -2.630 5.576 1.00 0.00 O ATOM 603 NE2 GLN A 41 -10.874 -3.205 3.777 1.00 0.00 N ATOM 0 H GLN A 41 -8.404 -3.978 8.829 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.553 -1.702 7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.465 -2.257 7.750 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.782 -1.136 6.588 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.896 -3.150 5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.820 -4.166 6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.968 -3.493 3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.669 -3.090 3.148 1.00 0.00 H new ATOM 612 N GLY A 42 -7.421 -0.567 9.378 1.00 0.00 N ATOM 613 CA GLY A 42 -7.423 0.204 10.610 1.00 0.00 C ATOM 614 C GLY A 42 -6.864 1.602 10.442 1.00 0.00 C ATOM 615 O GLY A 42 -6.200 1.900 9.450 1.00 0.00 O ATOM 0 H GLY A 42 -6.607 -0.419 8.781 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.444 0.271 10.987 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.839 -0.325 11.363 1.00 0.00 H new ATOM 619 N ALA A 43 -7.127 2.456 11.429 1.00 0.00 N ATOM 620 CA ALA A 43 -6.638 3.832 11.411 1.00 0.00 C ATOM 621 C ALA A 43 -5.192 3.902 11.903 1.00 0.00 C ATOM 622 O ALA A 43 -4.466 4.846 11.588 1.00 0.00 O ATOM 623 CB ALA A 43 -7.531 4.724 12.262 1.00 0.00 C ATOM 0 H ALA A 43 -7.678 2.218 12.254 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.666 4.190 10.382 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.153 5.746 12.238 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.547 4.704 11.868 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.533 4.362 13.290 1.00 0.00 H new ATOM 629 N GLU A 44 -4.781 2.893 12.675 1.00 0.00 N ATOM 630 CA GLU A 44 -3.423 2.832 13.211 1.00 0.00 C ATOM 631 C GLU A 44 -2.527 1.992 12.307 1.00 0.00 C ATOM 632 O GLU A 44 -2.691 0.772 12.219 1.00 0.00 O ATOM 633 CB GLU A 44 -3.433 2.242 14.623 1.00 0.00 C ATOM 634 CG GLU A 44 -3.604 3.280 15.720 1.00 0.00 C ATOM 635 CD GLU A 44 -2.730 2.999 16.928 1.00 0.00 C ATOM 636 OE1 GLU A 44 -1.495 3.148 16.814 1.00 0.00 O ATOM 637 OE2 GLU A 44 -3.281 2.629 17.985 1.00 0.00 O ATOM 0 H GLU A 44 -5.373 2.106 12.942 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.028 3.847 13.253 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.240 1.513 14.696 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.500 1.703 14.788 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.363 4.266 15.323 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.649 3.307 16.030 1.00 0.00 H new ATOM 644 N TYR A 45 -1.585 2.646 11.630 1.00 0.00 N ATOM 645 CA TYR A 45 -0.669 1.950 10.727 1.00 0.00 C ATOM 646 C TYR A 45 0.275 1.013 11.480 1.00 0.00 C ATOM 647 O TYR A 45 0.852 0.103 10.883 1.00 0.00 O ATOM 648 CB TYR A 45 0.140 2.947 9.901 1.00 0.00 C ATOM 649 CG TYR A 45 0.727 2.345 8.646 1.00 0.00 C ATOM 650 CD1 TYR A 45 -0.071 2.083 7.542 1.00 0.00 C ATOM 651 CD2 TYR A 45 2.079 2.044 8.566 1.00 0.00 C ATOM 652 CE1 TYR A 45 0.461 1.536 6.390 1.00 0.00 C ATOM 653 CE2 TYR A 45 2.623 1.501 7.417 1.00 0.00 C ATOM 654 CZ TYR A 45 1.809 1.249 6.331 1.00 0.00 C ATOM 655 OH TYR A 45 2.346 0.713 5.184 1.00 0.00 O ATOM 0 H TYR A 45 -1.436 3.653 11.689 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.281 1.344 10.059 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.500 3.786 9.628 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.946 3.347 10.515 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -1.126 2.310 7.584 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.717 2.237 9.416 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.175 1.334 5.541 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.678 1.275 7.369 1.00 0.00 H new ATOM 0 HH TYR A 45 2.297 -0.265 5.226 1.00 0.00 H new ATOM 665 N GLN A 46 0.426 1.231 12.789 1.00 0.00 N ATOM 666 CA GLN A 46 1.298 0.393 13.611 1.00 0.00 C ATOM 667 C GLN A 46 1.000 -1.089 13.377 1.00 0.00 C ATOM 668 O GLN A 46 1.912 -1.917 13.349 1.00 0.00 O ATOM 669 CB GLN A 46 1.123 0.735 15.094 1.00 0.00 C ATOM 670 CG GLN A 46 2.433 0.821 15.859 1.00 0.00 C ATOM 671 CD GLN A 46 2.282 0.425 17.316 1.00 0.00 C ATOM 672 OE1 GLN A 46 1.881 1.235 18.151 1.00 0.00 O ATOM 673 NE2 GLN A 46 2.601 -0.827 17.627 1.00 0.00 N ATOM 0 H GLN A 46 -0.043 1.979 13.300 1.00 0.00 H new ATOM 0 HA GLN A 46 2.331 0.590 13.323 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.600 1.687 15.179 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.489 -0.020 15.560 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.170 0.174 15.384 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.818 1.839 15.801 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.929 -1.465 16.902 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.517 -1.150 18.591 1.00 0.00 H new ATOM 682 N HIS A 47 -0.284 -1.409 13.204 1.00 0.00 N ATOM 683 CA HIS A 47 -0.715 -2.783 12.967 1.00 0.00 C ATOM 684 C HIS A 47 -0.163 -3.323 11.649 1.00 0.00 C ATOM 685 O HIS A 47 0.181 -4.503 11.555 1.00 0.00 O ATOM 686 CB HIS A 47 -2.242 -2.864 12.953 1.00 0.00 C ATOM 687 CG HIS A 47 -2.849 -3.184 14.284 1.00 0.00 C ATOM 688 ND1 HIS A 47 -2.145 -3.137 15.472 1.00 0.00 N ATOM 689 CD2 HIS A 47 -4.107 -3.559 14.610 1.00 0.00 C ATOM 690 CE1 HIS A 47 -2.946 -3.470 16.469 1.00 0.00 C ATOM 691 NE2 HIS A 47 -4.142 -3.729 15.972 1.00 0.00 N ATOM 0 H HIS A 47 -1.045 -0.730 13.224 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.324 -3.395 13.779 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.642 -1.913 12.602 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.548 -3.624 12.234 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.931 -3.699 13.926 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.670 -3.522 17.512 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.960 -4.010 16.513 1.00 0.00 H new ATOM 700 N PHE A 48 -0.078 -2.462 10.632 1.00 0.00 N ATOM 701 CA PHE A 48 0.432 -2.880 9.332 1.00 0.00 C ATOM 702 C PHE A 48 1.917 -3.219 9.415 1.00 0.00 C ATOM 703 O PHE A 48 2.336 -4.298 8.999 1.00 0.00 O ATOM 704 CB PHE A 48 0.199 -1.796 8.279 1.00 0.00 C ATOM 705 CG PHE A 48 0.578 -2.238 6.896 1.00 0.00 C ATOM 706 CD1 PHE A 48 -0.336 -2.892 6.088 1.00 0.00 C ATOM 707 CD2 PHE A 48 1.856 -2.011 6.410 1.00 0.00 C ATOM 708 CE1 PHE A 48 0.015 -3.312 4.821 1.00 0.00 C ATOM 709 CE2 PHE A 48 2.213 -2.430 5.145 1.00 0.00 C ATOM 710 CZ PHE A 48 1.293 -3.080 4.349 1.00 0.00 C ATOM 0 H PHE A 48 -0.354 -1.481 10.686 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.113 -3.775 9.034 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.852 -1.507 8.288 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.776 -0.909 8.543 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.336 -3.076 6.453 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.580 -1.501 7.028 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.707 -3.821 4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.213 -2.249 4.778 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.571 -3.407 3.358 1.00 0.00 H new ATOM 720 N ILE A 49 2.706 -2.292 9.959 1.00 0.00 N ATOM 721 CA ILE A 49 4.148 -2.493 10.103 1.00 0.00 C ATOM 722 C ILE A 49 4.452 -3.727 10.955 1.00 0.00 C ATOM 723 O ILE A 49 5.429 -4.435 10.708 1.00 0.00 O ATOM 724 CB ILE A 49 4.832 -1.258 10.733 1.00 0.00 C ATOM 725 CG1 ILE A 49 4.532 0.000 9.912 1.00 0.00 C ATOM 726 CG2 ILE A 49 6.337 -1.475 10.842 1.00 0.00 C ATOM 727 CD1 ILE A 49 4.771 1.289 10.668 1.00 0.00 C ATOM 0 H ILE A 49 2.370 -1.394 10.307 1.00 0.00 H new ATOM 0 HA ILE A 49 4.547 -2.643 9.100 1.00 0.00 H new ATOM 0 HB ILE A 49 4.430 -1.120 11.737 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.151 -0.005 9.015 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.494 -0.031 9.582 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.800 -0.595 11.288 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.535 -2.345 11.468 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.754 -1.640 9.848 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.538 2.137 10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.132 1.317 11.551 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.816 1.343 10.975 1.00 0.00 H new ATOM 739 N GLN A 50 3.608 -3.974 11.957 1.00 0.00 N ATOM 740 CA GLN A 50 3.782 -5.119 12.850 1.00 0.00 C ATOM 741 C GLN A 50 3.587 -6.441 12.104 1.00 0.00 C ATOM 742 O GLN A 50 4.391 -7.363 12.246 1.00 0.00 O ATOM 743 CB GLN A 50 2.798 -5.030 14.019 1.00 0.00 C ATOM 744 CG GLN A 50 3.381 -5.486 15.346 1.00 0.00 C ATOM 745 CD GLN A 50 2.379 -5.396 16.481 1.00 0.00 C ATOM 746 OE1 GLN A 50 1.998 -6.408 17.068 1.00 0.00 O ATOM 747 NE2 GLN A 50 1.945 -4.180 16.794 1.00 0.00 N ATOM 0 H GLN A 50 2.796 -3.395 12.171 1.00 0.00 H new ATOM 0 HA GLN A 50 4.802 -5.093 13.233 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.457 -3.999 14.117 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.921 -5.636 13.791 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.728 -6.515 15.252 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.252 -4.876 15.585 1.00 0.00 H new ATOM 0 HE21 GLN A 50 2.288 -3.368 16.280 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.269 -4.058 17.548 1.00 0.00 H new ATOM 756 N GLN A 51 2.515 -6.527 11.316 1.00 0.00 N ATOM 757 CA GLN A 51 2.215 -7.739 10.554 1.00 0.00 C ATOM 758 C GLN A 51 3.128 -7.871 9.335 1.00 0.00 C ATOM 759 O GLN A 51 3.618 -8.961 9.034 1.00 0.00 O ATOM 760 CB GLN A 51 0.749 -7.741 10.111 1.00 0.00 C ATOM 761 CG GLN A 51 -0.154 -8.587 10.996 1.00 0.00 C ATOM 762 CD GLN A 51 -0.479 -7.914 12.317 1.00 0.00 C ATOM 763 OE1 GLN A 51 -1.533 -7.295 12.467 1.00 0.00 O ATOM 764 NE2 GLN A 51 0.425 -8.029 13.285 1.00 0.00 N ATOM 0 H GLN A 51 1.841 -5.772 11.189 1.00 0.00 H new ATOM 0 HA GLN A 51 2.394 -8.594 11.207 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.379 -6.716 10.104 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.688 -8.109 9.087 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.081 -8.800 10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.329 -9.545 11.190 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.286 -8.551 13.120 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.258 -7.596 14.193 1.00 0.00 H new ATOM 773 N CYS A 52 3.348 -6.757 8.632 1.00 0.00 N ATOM 774 CA CYS A 52 4.195 -6.751 7.444 1.00 0.00 C ATOM 775 C CYS A 52 5.675 -6.782 7.822 1.00 0.00 C ATOM 776 O CYS A 52 6.350 -5.750 7.822 1.00 0.00 O ATOM 777 CB CYS A 52 3.896 -5.521 6.582 1.00 0.00 C ATOM 778 SG CYS A 52 2.540 -5.759 5.411 1.00 0.00 S ATOM 0 H CYS A 52 2.949 -5.848 8.868 1.00 0.00 H new ATOM 0 HA CYS A 52 3.972 -7.650 6.869 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.656 -4.682 7.235 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.796 -5.249 6.030 1.00 0.00 H new ATOM 0 HG CYS A 52 1.911 -4.634 5.241 1.00 0.00 H new ATOM 784 N THR A 53 6.174 -7.975 8.137 1.00 0.00 N ATOM 785 CA THR A 53 7.575 -8.148 8.511 1.00 0.00 C ATOM 786 C THR A 53 8.344 -8.872 7.409 1.00 0.00 C ATOM 787 O THR A 53 7.755 -9.332 6.428 1.00 0.00 O ATOM 788 CB THR A 53 7.689 -8.915 9.832 1.00 0.00 C ATOM 789 OG1 THR A 53 6.777 -10.001 9.869 1.00 0.00 O ATOM 790 CG2 THR A 53 7.423 -8.048 11.045 1.00 0.00 C ATOM 0 H THR A 53 5.628 -8.837 8.141 1.00 0.00 H new ATOM 0 HA THR A 53 8.015 -7.160 8.644 1.00 0.00 H new ATOM 0 HB THR A 53 8.719 -9.270 9.873 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.869 -10.477 10.721 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.519 -8.649 11.950 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.144 -7.231 11.074 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.414 -7.639 10.986 1.00 0.00 H new ATOM 798 N ASP A 54 9.663 -8.963 7.571 1.00 0.00 N ATOM 799 CA ASP A 54 10.516 -9.623 6.586 1.00 0.00 C ATOM 800 C ASP A 54 10.384 -11.145 6.668 1.00 0.00 C ATOM 801 O ASP A 54 11.312 -11.841 7.079 1.00 0.00 O ATOM 802 CB ASP A 54 11.976 -9.200 6.784 1.00 0.00 C ATOM 803 CG ASP A 54 12.307 -7.902 6.070 1.00 0.00 C ATOM 804 OD1 ASP A 54 11.860 -7.724 4.915 1.00 0.00 O ATOM 805 OD2 ASP A 54 13.011 -7.061 6.665 1.00 0.00 O ATOM 0 H ASP A 54 10.164 -8.587 8.376 1.00 0.00 H new ATOM 0 HA ASP A 54 10.189 -9.314 5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.177 -9.086 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.632 -9.990 6.418 1.00 0.00 H new ATOM 810 N ASP A 55 9.215 -11.648 6.273 1.00 0.00 N ATOM 811 CA ASP A 55 8.932 -13.084 6.289 1.00 0.00 C ATOM 812 C ASP A 55 7.532 -13.354 5.749 1.00 0.00 C ATOM 813 O ASP A 55 6.748 -14.090 6.352 1.00 0.00 O ATOM 814 CB ASP A 55 9.067 -13.637 7.709 1.00 0.00 C ATOM 815 CG ASP A 55 9.611 -15.051 7.729 1.00 0.00 C ATOM 816 OD1 ASP A 55 8.835 -15.992 7.455 1.00 0.00 O ATOM 817 OD2 ASP A 55 10.816 -15.217 8.017 1.00 0.00 O ATOM 0 H ASP A 55 8.441 -11.076 5.935 1.00 0.00 H new ATOM 0 HA ASP A 55 9.656 -13.587 5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.726 -12.989 8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.093 -13.619 8.197 1.00 0.00 H new ATOM 822 N VAL A 56 7.225 -12.739 4.610 1.00 0.00 N ATOM 823 CA VAL A 56 5.913 -12.883 3.972 1.00 0.00 C ATOM 824 C VAL A 56 5.864 -12.121 2.645 1.00 0.00 C ATOM 825 O VAL A 56 6.868 -11.561 2.210 1.00 0.00 O ATOM 826 CB VAL A 56 4.768 -12.376 4.889 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.119 -13.536 5.631 1.00 0.00 C ATOM 828 CG2 VAL A 56 5.275 -11.326 5.870 1.00 0.00 C ATOM 0 H VAL A 56 7.870 -12.131 4.105 1.00 0.00 H new ATOM 0 HA VAL A 56 5.768 -13.948 3.788 1.00 0.00 H new ATOM 0 HB VAL A 56 4.014 -11.908 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.319 -13.158 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.707 -14.243 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.866 -14.038 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.452 -10.989 6.500 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.056 -11.759 6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.681 -10.478 5.318 1.00 0.00 H new ATOM 838 N ARG A 57 4.693 -12.105 2.005 1.00 0.00 N ATOM 839 CA ARG A 57 4.526 -11.411 0.727 1.00 0.00 C ATOM 840 C ARG A 57 3.068 -11.015 0.499 1.00 0.00 C ATOM 841 O ARG A 57 2.202 -11.875 0.326 1.00 0.00 O ATOM 842 CB ARG A 57 5.014 -12.296 -0.426 1.00 0.00 C ATOM 843 CG ARG A 57 4.423 -13.700 -0.417 1.00 0.00 C ATOM 844 CD ARG A 57 5.219 -14.639 0.477 1.00 0.00 C ATOM 845 NE ARG A 57 4.413 -15.165 1.580 1.00 0.00 N ATOM 846 CZ ARG A 57 3.351 -15.958 1.422 1.00 0.00 C ATOM 847 NH1 ARG A 57 2.974 -16.350 0.207 1.00 0.00 N ATOM 848 NH2 ARG A 57 2.667 -16.367 2.485 1.00 0.00 N ATOM 0 H ARG A 57 3.849 -12.563 2.349 1.00 0.00 H new ATOM 0 HA ARG A 57 5.125 -10.501 0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.766 -11.814 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.101 -12.369 -0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.390 -13.658 -0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.404 -14.094 -1.433 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.602 -15.468 -0.119 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.083 -14.110 0.880 1.00 0.00 H new ATOM 0 HE ARG A 57 4.680 -14.909 2.531 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.498 -16.044 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.161 -16.956 0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.954 -16.075 3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.855 -16.973 2.367 1.00 0.00 H new ATOM 862 N LEU A 58 2.799 -9.709 0.497 1.00 0.00 N ATOM 863 CA LEU A 58 1.440 -9.212 0.285 1.00 0.00 C ATOM 864 C LEU A 58 1.437 -7.744 -0.146 1.00 0.00 C ATOM 865 O LEU A 58 2.469 -7.071 -0.108 1.00 0.00 O ATOM 866 CB LEU A 58 0.604 -9.390 1.556 1.00 0.00 C ATOM 867 CG LEU A 58 1.251 -8.868 2.843 1.00 0.00 C ATOM 868 CD1 LEU A 58 1.031 -7.369 2.983 1.00 0.00 C ATOM 869 CD2 LEU A 58 0.701 -9.607 4.054 1.00 0.00 C ATOM 0 H LEU A 58 3.499 -8.981 0.639 1.00 0.00 H new ATOM 0 HA LEU A 58 0.997 -9.797 -0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.351 -8.883 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.386 -10.451 1.682 1.00 0.00 H new ATOM 0 HG LEU A 58 2.324 -9.052 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.498 -7.017 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.476 -6.855 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.038 -7.160 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.172 -9.223 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.377 -9.456 4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.914 -10.672 3.958 1.00 0.00 H new ATOM 881 N PHE A 59 0.262 -7.256 -0.544 1.00 0.00 N ATOM 882 CA PHE A 59 0.100 -5.867 -0.976 1.00 0.00 C ATOM 883 C PHE A 59 -0.620 -5.048 0.095 1.00 0.00 C ATOM 884 O PHE A 59 -0.987 -5.577 1.147 1.00 0.00 O ATOM 885 CB PHE A 59 -0.688 -5.807 -2.288 1.00 0.00 C ATOM 886 CG PHE A 59 -0.003 -6.485 -3.440 1.00 0.00 C ATOM 887 CD1 PHE A 59 -0.115 -7.854 -3.622 1.00 0.00 C ATOM 888 CD2 PHE A 59 0.748 -5.751 -4.343 1.00 0.00 C ATOM 889 CE1 PHE A 59 0.511 -8.479 -4.683 1.00 0.00 C ATOM 890 CE2 PHE A 59 1.376 -6.370 -5.407 1.00 0.00 C ATOM 891 CZ PHE A 59 1.258 -7.736 -5.577 1.00 0.00 C ATOM 0 H PHE A 59 -0.597 -7.806 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 59 1.092 -5.443 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.664 -6.268 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.865 -4.763 -2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.698 -8.439 -2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.844 -4.683 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.417 -9.547 -4.814 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.958 -5.787 -6.105 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.749 -8.222 -6.407 1.00 0.00 H new ATOM 901 N ALA A 60 -0.818 -3.758 -0.173 1.00 0.00 N ATOM 902 CA ALA A 60 -1.490 -2.875 0.776 1.00 0.00 C ATOM 903 C ALA A 60 -2.032 -1.623 0.091 1.00 0.00 C ATOM 904 O ALA A 60 -1.764 -1.382 -1.088 1.00 0.00 O ATOM 905 CB ALA A 60 -0.534 -2.490 1.895 1.00 0.00 C ATOM 0 H ALA A 60 -0.523 -3.303 -1.037 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.338 -3.416 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.043 -1.831 2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.202 -3.389 2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.329 -1.974 1.475 1.00 0.00 H new ATOM 911 N PHE A 61 -2.793 -0.829 0.843 1.00 0.00 N ATOM 912 CA PHE A 61 -3.374 0.403 0.318 1.00 0.00 C ATOM 913 C PHE A 61 -3.501 1.461 1.409 1.00 0.00 C ATOM 914 O PHE A 61 -3.966 1.172 2.511 1.00 0.00 O ATOM 915 CB PHE A 61 -4.747 0.120 -0.290 1.00 0.00 C ATOM 916 CG PHE A 61 -4.954 0.772 -1.624 1.00 0.00 C ATOM 917 CD1 PHE A 61 -5.196 2.132 -1.714 1.00 0.00 C ATOM 918 CD2 PHE A 61 -4.907 0.023 -2.787 1.00 0.00 C ATOM 919 CE1 PHE A 61 -5.386 2.735 -2.943 1.00 0.00 C ATOM 920 CE2 PHE A 61 -5.098 0.619 -4.017 1.00 0.00 C ATOM 921 CZ PHE A 61 -5.338 1.978 -4.096 1.00 0.00 C ATOM 0 H PHE A 61 -3.021 -1.018 1.819 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.708 0.786 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.874 -0.957 -0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.519 0.465 0.398 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.237 2.728 -0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.719 -1.039 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.572 3.797 -3.001 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.060 0.024 -4.917 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.488 2.446 -5.058 1.00 0.00 H new ATOM 931 N VAL A 62 -3.089 2.690 1.092 1.00 0.00 N ATOM 932 CA VAL A 62 -3.164 3.795 2.047 1.00 0.00 C ATOM 933 C VAL A 62 -3.512 5.107 1.348 1.00 0.00 C ATOM 934 O VAL A 62 -2.921 5.450 0.320 1.00 0.00 O ATOM 935 CB VAL A 62 -1.839 3.979 2.822 1.00 0.00 C ATOM 936 CG1 VAL A 62 -2.023 4.957 3.975 1.00 0.00 C ATOM 937 CG2 VAL A 62 -1.318 2.643 3.333 1.00 0.00 C ATOM 0 H VAL A 62 -2.701 2.944 0.183 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.953 3.537 2.754 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.100 4.391 2.135 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.079 5.073 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.340 5.924 3.585 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.781 4.575 4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.385 2.799 3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.055 2.196 4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.140 1.975 2.490 1.00 0.00 H new ATOM 947 N ARG A 63 -4.466 5.842 1.918 1.00 0.00 N ATOM 948 CA ARG A 63 -4.887 7.125 1.358 1.00 0.00 C ATOM 949 C ARG A 63 -4.277 8.279 2.149 1.00 0.00 C ATOM 950 O ARG A 63 -4.617 8.489 3.316 1.00 0.00 O ATOM 951 CB ARG A 63 -6.416 7.238 1.359 1.00 0.00 C ATOM 952 CG ARG A 63 -7.073 6.629 0.131 1.00 0.00 C ATOM 953 CD ARG A 63 -7.525 5.200 0.391 1.00 0.00 C ATOM 954 NE ARG A 63 -8.767 4.877 -0.313 1.00 0.00 N ATOM 955 CZ ARG A 63 -8.839 4.607 -1.618 1.00 0.00 C ATOM 956 NH1 ARG A 63 -7.751 4.660 -2.379 1.00 0.00 N ATOM 957 NH2 ARG A 63 -10.007 4.288 -2.166 1.00 0.00 N ATOM 0 H ARG A 63 -4.962 5.571 2.767 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.534 7.180 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.807 6.748 2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.694 8.290 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.930 7.235 -0.163 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.372 6.644 -0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.742 4.510 0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.668 5.055 1.462 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.632 4.857 0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.852 4.909 -1.967 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.815 4.452 -3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.847 4.250 -1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.063 4.082 -3.163 1.00 0.00 H new ATOM 971 N PHE A 64 -3.373 9.019 1.513 1.00 0.00 N ATOM 972 CA PHE A 64 -2.711 10.147 2.163 1.00 0.00 C ATOM 973 C PHE A 64 -3.379 11.464 1.783 1.00 0.00 C ATOM 974 O PHE A 64 -3.875 11.619 0.667 1.00 0.00 O ATOM 975 CB PHE A 64 -1.229 10.187 1.784 1.00 0.00 C ATOM 976 CG PHE A 64 -0.456 8.994 2.269 1.00 0.00 C ATOM 977 CD1 PHE A 64 -0.521 7.788 1.591 1.00 0.00 C ATOM 978 CD2 PHE A 64 0.336 9.080 3.403 1.00 0.00 C ATOM 979 CE1 PHE A 64 0.189 6.690 2.035 1.00 0.00 C ATOM 980 CE2 PHE A 64 1.048 7.985 3.852 1.00 0.00 C ATOM 981 CZ PHE A 64 0.974 6.788 3.167 1.00 0.00 C ATOM 0 H PHE A 64 -3.082 8.858 0.549 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.799 10.013 3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.141 10.251 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.781 11.092 2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.134 7.705 0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.397 10.014 3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.130 5.755 1.497 1.00 0.00 H new ATOM 0 HE2 PHE A 64 1.662 8.065 4.737 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.529 5.930 3.516 1.00 0.00 H new ATOM 991 N THR A 65 -3.384 12.410 2.720 1.00 0.00 N ATOM 992 CA THR A 65 -3.984 13.719 2.486 1.00 0.00 C ATOM 993 C THR A 65 -3.215 14.807 3.229 1.00 0.00 C ATOM 994 O THR A 65 -3.434 15.034 4.421 1.00 0.00 O ATOM 995 CB THR A 65 -5.455 13.723 2.918 1.00 0.00 C ATOM 996 OG1 THR A 65 -6.105 12.528 2.521 1.00 0.00 O ATOM 997 CG2 THR A 65 -6.242 14.880 2.341 1.00 0.00 C ATOM 0 H THR A 65 -2.979 12.293 3.649 1.00 0.00 H new ATOM 0 HA THR A 65 -3.933 13.928 1.417 1.00 0.00 H new ATOM 0 HB THR A 65 -5.433 13.817 4.004 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.041 12.554 2.809 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.275 14.825 2.685 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.800 15.821 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.219 14.829 1.252 1.00 0.00 H new ATOM 1122 N SER A 74 -5.842 14.966 -1.254 1.00 0.00 N ATOM 1123 CA SER A 74 -5.738 13.522 -1.061 1.00 0.00 C ATOM 1124 C SER A 74 -5.048 12.854 -2.250 1.00 0.00 C ATOM 1125 O SER A 74 -5.167 13.311 -3.389 1.00 0.00 O ATOM 1126 CB SER A 74 -7.125 12.912 -0.847 1.00 0.00 C ATOM 1127 OG SER A 74 -7.033 11.561 -0.431 1.00 0.00 O ATOM 0 HA SER A 74 -5.131 13.346 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.667 13.489 -0.098 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.698 12.972 -1.772 1.00 0.00 H new ATOM 0 HG SER A 74 -6.792 11.527 0.518 1.00 0.00 H new ATOM 1133 N LYS A 75 -4.327 11.770 -1.971 1.00 0.00 N ATOM 1134 CA LYS A 75 -3.613 11.026 -3.004 1.00 0.00 C ATOM 1135 C LYS A 75 -3.597 9.533 -2.684 1.00 0.00 C ATOM 1136 O LYS A 75 -3.244 9.132 -1.572 1.00 0.00 O ATOM 1137 CB LYS A 75 -2.177 11.545 -3.135 1.00 0.00 C ATOM 1138 CG LYS A 75 -2.002 12.599 -4.218 1.00 0.00 C ATOM 1139 CD LYS A 75 -0.648 13.287 -4.113 1.00 0.00 C ATOM 1140 CE LYS A 75 -0.004 13.474 -5.479 1.00 0.00 C ATOM 1141 NZ LYS A 75 -0.340 14.796 -6.077 1.00 0.00 N ATOM 0 H LYS A 75 -4.222 11.386 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.134 11.173 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.863 11.964 -2.179 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.515 10.706 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.100 12.134 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.796 13.341 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.769 14.258 -3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.012 12.697 -3.477 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.078 13.383 -5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.334 12.679 -6.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.118 14.883 -7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.371 14.874 -6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.002 15.556 -5.452 1.00 0.00 H new ATOM 1155 N PHE A 76 -3.981 8.715 -3.663 1.00 0.00 N ATOM 1156 CA PHE A 76 -4.009 7.264 -3.484 1.00 0.00 C ATOM 1157 C PHE A 76 -2.637 6.661 -3.772 1.00 0.00 C ATOM 1158 O PHE A 76 -2.058 6.895 -4.833 1.00 0.00 O ATOM 1159 CB PHE A 76 -5.060 6.623 -4.399 1.00 0.00 C ATOM 1160 CG PHE A 76 -6.360 7.374 -4.453 1.00 0.00 C ATOM 1161 CD1 PHE A 76 -7.104 7.584 -3.304 1.00 0.00 C ATOM 1162 CD2 PHE A 76 -6.837 7.870 -5.655 1.00 0.00 C ATOM 1163 CE1 PHE A 76 -8.299 8.274 -3.351 1.00 0.00 C ATOM 1164 CE2 PHE A 76 -8.032 8.561 -5.711 1.00 0.00 C ATOM 1165 CZ PHE A 76 -8.764 8.764 -4.557 1.00 0.00 C ATOM 0 H PHE A 76 -4.276 9.031 -4.587 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.275 7.059 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.653 6.549 -5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.253 5.606 -4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.745 7.203 -2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.268 7.715 -6.560 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.869 8.431 -2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.393 8.942 -6.655 1.00 0.00 H new ATOM 0 HZ PHE A 76 -9.698 9.305 -4.597 1.00 0.00 H new ATOM 1175 N ALA A 77 -2.121 5.886 -2.819 1.00 0.00 N ATOM 1176 CA ALA A 77 -0.815 5.253 -2.971 1.00 0.00 C ATOM 1177 C ALA A 77 -0.865 3.773 -2.602 1.00 0.00 C ATOM 1178 O ALA A 77 -1.351 3.404 -1.530 1.00 0.00 O ATOM 1179 CB ALA A 77 0.223 5.976 -2.125 1.00 0.00 C ATOM 0 H ALA A 77 -2.588 5.683 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.529 5.324 -4.020 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.193 5.493 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.292 7.016 -2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.071 5.937 -1.076 1.00 0.00 H new ATOM 1185 N LEU A 78 -0.349 2.931 -3.497 1.00 0.00 N ATOM 1186 CA LEU A 78 -0.320 1.487 -3.273 1.00 0.00 C ATOM 1187 C LEU A 78 1.037 1.067 -2.714 1.00 0.00 C ATOM 1188 O LEU A 78 2.072 1.606 -3.108 1.00 0.00 O ATOM 1189 CB LEU A 78 -0.611 0.741 -4.578 1.00 0.00 C ATOM 1190 CG LEU A 78 -1.848 -0.159 -4.549 1.00 0.00 C ATOM 1191 CD1 LEU A 78 -2.527 -0.178 -5.909 1.00 0.00 C ATOM 1192 CD2 LEU A 78 -1.472 -1.568 -4.117 1.00 0.00 C ATOM 0 H LEU A 78 0.055 3.226 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.091 1.231 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.731 1.472 -5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.257 0.132 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.552 0.246 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.405 -0.823 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.832 0.833 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.832 -0.558 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.364 -2.194 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.749 -1.983 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.033 -1.538 -3.120 1.00 0.00 H new ATOM 1204 N ILE A 79 1.027 0.112 -1.784 1.00 0.00 N ATOM 1205 CA ILE A 79 2.263 -0.360 -1.166 1.00 0.00 C ATOM 1206 C ILE A 79 2.421 -1.874 -1.290 1.00 0.00 C ATOM 1207 O ILE A 79 1.574 -2.636 -0.825 1.00 0.00 O ATOM 1208 CB ILE A 79 2.325 0.031 0.328 1.00 0.00 C ATOM 1209 CG1 ILE A 79 2.123 1.540 0.499 1.00 0.00 C ATOM 1210 CG2 ILE A 79 3.650 -0.402 0.939 1.00 0.00 C ATOM 1211 CD1 ILE A 79 1.647 1.933 1.881 1.00 0.00 C ATOM 0 H ILE A 79 0.182 -0.347 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 79 3.080 0.122 -1.703 1.00 0.00 H new ATOM 0 HB ILE A 79 1.520 -0.485 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.063 2.050 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.399 1.887 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.675 -0.118 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.755 -1.483 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.470 0.085 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.526 3.015 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.691 1.451 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.381 1.616 2.622 1.00 0.00 H new ATOM 1223 N THR A 80 3.523 -2.300 -1.906 1.00 0.00 N ATOM 1224 CA THR A 80 3.813 -3.721 -2.077 1.00 0.00 C ATOM 1225 C THR A 80 4.905 -4.155 -1.102 1.00 0.00 C ATOM 1226 O THR A 80 6.078 -3.826 -1.291 1.00 0.00 O ATOM 1227 CB THR A 80 4.253 -4.015 -3.513 1.00 0.00 C ATOM 1228 OG1 THR A 80 3.407 -3.364 -4.447 1.00 0.00 O ATOM 1229 CG2 THR A 80 4.255 -5.493 -3.848 1.00 0.00 C ATOM 0 H THR A 80 4.231 -1.678 -2.296 1.00 0.00 H new ATOM 0 HA THR A 80 2.903 -4.283 -1.870 1.00 0.00 H new ATOM 0 HB THR A 80 5.274 -3.640 -3.581 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.631 -3.932 -4.637 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.576 -5.632 -4.880 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.940 -6.016 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.250 -5.896 -3.724 1.00 0.00 H new ATOM 1237 N TRP A 81 4.516 -4.885 -0.059 1.00 0.00 N ATOM 1238 CA TRP A 81 5.476 -5.346 0.942 1.00 0.00 C ATOM 1239 C TRP A 81 6.076 -6.698 0.562 1.00 0.00 C ATOM 1240 O TRP A 81 5.358 -7.686 0.398 1.00 0.00 O ATOM 1241 CB TRP A 81 4.820 -5.441 2.323 1.00 0.00 C ATOM 1242 CG TRP A 81 5.737 -6.006 3.368 1.00 0.00 C ATOM 1243 CD1 TRP A 81 5.644 -7.229 3.968 1.00 0.00 C ATOM 1244 CD2 TRP A 81 6.896 -5.372 3.922 1.00 0.00 C ATOM 1245 NE1 TRP A 81 6.672 -7.391 4.864 1.00 0.00 N ATOM 1246 CE2 TRP A 81 7.454 -6.265 4.855 1.00 0.00 C ATOM 1247 CE3 TRP A 81 7.515 -4.134 3.720 1.00 0.00 C ATOM 1248 CZ2 TRP A 81 8.602 -5.960 5.585 1.00 0.00 C ATOM 1249 CZ3 TRP A 81 8.653 -3.832 4.445 1.00 0.00 C ATOM 1250 CH2 TRP A 81 9.186 -4.742 5.367 1.00 0.00 C ATOM 0 H TRP A 81 3.552 -5.168 0.115 1.00 0.00 H new ATOM 0 HA TRP A 81 6.281 -4.612 0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 81 4.492 -4.449 2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 81 3.928 -6.064 2.254 1.00 0.00 H new ATOM 0 HD1 TRP A 81 4.875 -7.961 3.768 1.00 0.00 H new ATOM 0 HE1 TRP A 81 6.829 -8.216 5.443 1.00 0.00 H new ATOM 0 HE3 TRP A 81 7.111 -3.427 3.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 9.015 -6.660 6.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 9.139 -2.879 4.298 1.00 0.00 H new ATOM 0 HH2 TRP A 81 10.077 -4.477 5.917 1.00 0.00 H new ATOM 1261 N ILE A 82 7.403 -6.733 0.446 1.00 0.00 N ATOM 1262 CA ILE A 82 8.119 -7.958 0.113 1.00 0.00 C ATOM 1263 C ILE A 82 8.935 -8.424 1.322 1.00 0.00 C ATOM 1264 O ILE A 82 10.005 -7.885 1.612 1.00 0.00 O ATOM 1265 CB ILE A 82 9.034 -7.760 -1.120 1.00 0.00 C ATOM 1266 CG1 ILE A 82 9.744 -9.067 -1.473 1.00 0.00 C ATOM 1267 CG2 ILE A 82 10.044 -6.644 -0.881 1.00 0.00 C ATOM 1268 CD1 ILE A 82 9.996 -9.240 -2.956 1.00 0.00 C ATOM 0 H ILE A 82 8.005 -5.920 0.579 1.00 0.00 H new ATOM 0 HA ILE A 82 7.388 -8.725 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 82 8.408 -7.467 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.696 -9.107 -0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.145 -9.904 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.673 -6.527 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.516 -5.711 -0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.667 -6.895 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.503 -10.189 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.046 -9.232 -3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.621 -8.423 -3.317 1.00 0.00 H new ATOM 1280 N GLY A 83 8.396 -9.406 2.042 1.00 0.00 N ATOM 1281 CA GLY A 83 9.050 -9.917 3.237 1.00 0.00 C ATOM 1282 C GLY A 83 10.343 -10.663 2.965 1.00 0.00 C ATOM 1283 O GLY A 83 10.348 -11.893 2.905 1.00 0.00 O ATOM 0 H GLY A 83 7.511 -9.860 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.258 -9.084 3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.362 -10.583 3.758 1.00 0.00 H new ATOM 1287 N GLU A 84 11.430 -9.892 2.838 1.00 0.00 N ATOM 1288 CA GLU A 84 12.797 -10.390 2.604 1.00 0.00 C ATOM 1289 C GLU A 84 12.896 -11.812 2.048 1.00 0.00 C ATOM 1290 O GLU A 84 13.119 -12.001 0.852 1.00 0.00 O ATOM 1291 CB GLU A 84 13.597 -10.326 3.900 1.00 0.00 C ATOM 1292 CG GLU A 84 14.556 -9.149 3.980 1.00 0.00 C ATOM 1293 CD GLU A 84 15.814 -9.364 3.161 1.00 0.00 C ATOM 1294 OE1 GLU A 84 15.801 -9.038 1.955 1.00 0.00 O ATOM 1295 OE2 GLU A 84 16.812 -9.860 3.725 1.00 0.00 O ATOM 0 H GLU A 84 11.385 -8.875 2.896 1.00 0.00 H new ATOM 0 HA GLU A 84 13.201 -9.734 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.904 -10.274 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.163 -11.251 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.050 -8.249 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.830 -8.978 5.021 1.00 0.00 H new ATOM 1302 N ASN A 85 12.787 -12.809 2.936 1.00 0.00 N ATOM 1303 CA ASN A 85 12.925 -14.222 2.557 1.00 0.00 C ATOM 1304 C ASN A 85 11.810 -14.736 1.641 1.00 0.00 C ATOM 1305 O ASN A 85 11.478 -15.924 1.677 1.00 0.00 O ATOM 1306 CB ASN A 85 13.003 -15.094 3.811 1.00 0.00 C ATOM 1307 CG ASN A 85 11.928 -14.757 4.821 1.00 0.00 C ATOM 1308 OD1 ASN A 85 10.768 -15.135 4.660 1.00 0.00 O ATOM 1309 ND2 ASN A 85 12.311 -14.038 5.867 1.00 0.00 N ATOM 0 H ASN A 85 12.602 -12.662 3.928 1.00 0.00 H new ATOM 0 HA ASN A 85 13.849 -14.289 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.913 -16.142 3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.982 -14.972 4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.632 -13.775 6.581 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.285 -13.748 5.957 1.00 0.00 H new ATOM 1316 N VAL A 86 11.252 -13.868 0.805 1.00 0.00 N ATOM 1317 CA VAL A 86 10.205 -14.283 -0.122 1.00 0.00 C ATOM 1318 C VAL A 86 10.760 -15.292 -1.125 1.00 0.00 C ATOM 1319 O VAL A 86 11.608 -14.953 -1.953 1.00 0.00 O ATOM 1320 CB VAL A 86 9.595 -13.089 -0.889 1.00 0.00 C ATOM 1321 CG1 VAL A 86 8.612 -12.337 -0.009 1.00 0.00 C ATOM 1322 CG2 VAL A 86 10.686 -12.158 -1.401 1.00 0.00 C ATOM 0 H VAL A 86 11.504 -12.881 0.749 1.00 0.00 H new ATOM 0 HA VAL A 86 9.415 -14.740 0.474 1.00 0.00 H new ATOM 0 HB VAL A 86 9.054 -13.478 -1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 86 8.192 -11.499 -0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.809 -13.008 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.128 -11.963 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.231 -11.325 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.263 -11.776 -0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.346 -12.706 -2.074 1.00 0.00 H new ATOM 1332 N SER A 87 10.291 -16.537 -1.037 1.00 0.00 N ATOM 1333 CA SER A 87 10.754 -17.600 -1.932 1.00 0.00 C ATOM 1334 C SER A 87 10.657 -17.175 -3.395 1.00 0.00 C ATOM 1335 O SER A 87 9.934 -16.236 -3.733 1.00 0.00 O ATOM 1336 CB SER A 87 9.947 -18.884 -1.713 1.00 0.00 C ATOM 1337 OG SER A 87 9.431 -18.955 -0.395 1.00 0.00 O ATOM 0 H SER A 87 9.592 -16.835 -0.357 1.00 0.00 H new ATOM 0 HA SER A 87 11.801 -17.792 -1.696 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.126 -18.926 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.581 -19.750 -1.904 1.00 0.00 H new ATOM 0 HG SER A 87 8.920 -19.784 -0.288 1.00 0.00 H new ATOM 1343 N GLY A 88 11.387 -17.880 -4.259 1.00 0.00 N ATOM 1344 CA GLY A 88 11.371 -17.570 -5.679 1.00 0.00 C ATOM 1345 C GLY A 88 9.965 -17.524 -6.247 1.00 0.00 C ATOM 1346 O GLY A 88 9.599 -16.571 -6.936 1.00 0.00 O ATOM 0 H GLY A 88 11.990 -18.661 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.858 -16.609 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.953 -18.318 -6.218 1.00 0.00 H new ATOM 1350 N LEU A 89 9.174 -18.554 -5.946 1.00 0.00 N ATOM 1351 CA LEU A 89 7.793 -18.630 -6.419 1.00 0.00 C ATOM 1352 C LEU A 89 6.973 -17.451 -5.901 1.00 0.00 C ATOM 1353 O LEU A 89 6.068 -16.966 -6.583 1.00 0.00 O ATOM 1354 CB LEU A 89 7.149 -19.947 -5.976 1.00 0.00 C ATOM 1355 CG LEU A 89 6.727 -20.879 -7.114 1.00 0.00 C ATOM 1356 CD1 LEU A 89 7.937 -21.322 -7.923 1.00 0.00 C ATOM 1357 CD2 LEU A 89 5.981 -22.085 -6.565 1.00 0.00 C ATOM 0 H LEU A 89 9.467 -19.348 -5.376 1.00 0.00 H new ATOM 0 HA LEU A 89 7.808 -18.589 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.851 -20.478 -5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.272 -19.719 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 89 6.057 -20.330 -7.776 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.615 -21.984 -8.727 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.430 -20.448 -8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.634 -21.852 -7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.688 -22.737 -7.388 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.629 -22.633 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.091 -21.751 -6.033 1.00 0.00 H new ATOM 1369 N GLN A 90 7.298 -16.991 -4.693 1.00 0.00 N ATOM 1370 CA GLN A 90 6.601 -15.869 -4.081 1.00 0.00 C ATOM 1371 C GLN A 90 6.955 -14.569 -4.800 1.00 0.00 C ATOM 1372 O GLN A 90 6.078 -13.759 -5.105 1.00 0.00 O ATOM 1373 CB GLN A 90 6.960 -15.762 -2.594 1.00 0.00 C ATOM 1374 CG GLN A 90 7.033 -17.103 -1.866 1.00 0.00 C ATOM 1375 CD GLN A 90 5.694 -17.545 -1.305 1.00 0.00 C ATOM 1376 OE1 GLN A 90 5.524 -17.650 -0.091 1.00 0.00 O ATOM 1377 NE2 GLN A 90 4.736 -17.815 -2.183 1.00 0.00 N ATOM 0 H GLN A 90 8.044 -17.383 -4.119 1.00 0.00 H new ATOM 0 HA GLN A 90 5.528 -16.040 -4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.922 -15.258 -2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.221 -15.133 -2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.402 -17.864 -2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.756 -17.030 -1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.917 -17.715 -3.182 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.819 -18.122 -1.859 1.00 0.00 H new ATOM 1386 N ARG A 91 8.248 -14.388 -5.077 1.00 0.00 N ATOM 1387 CA ARG A 91 8.737 -13.198 -5.772 1.00 0.00 C ATOM 1388 C ARG A 91 8.056 -13.045 -7.132 1.00 0.00 C ATOM 1389 O ARG A 91 7.572 -11.965 -7.474 1.00 0.00 O ATOM 1390 CB ARG A 91 10.256 -13.279 -5.952 1.00 0.00 C ATOM 1391 CG ARG A 91 10.941 -11.924 -6.026 1.00 0.00 C ATOM 1392 CD ARG A 91 12.311 -12.029 -6.680 1.00 0.00 C ATOM 1393 NE ARG A 91 13.372 -12.259 -5.701 1.00 0.00 N ATOM 1394 CZ ARG A 91 14.674 -12.131 -5.967 1.00 0.00 C ATOM 1395 NH1 ARG A 91 15.084 -11.787 -7.186 1.00 0.00 N ATOM 1396 NH2 ARG A 91 15.570 -12.349 -5.011 1.00 0.00 N ATOM 0 H ARG A 91 8.978 -15.055 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 91 8.496 -12.325 -5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.681 -13.845 -5.123 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.475 -13.836 -6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.319 -11.230 -6.591 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.046 -11.512 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 91 12.305 -12.843 -7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.520 -11.112 -7.232 1.00 0.00 H new ATOM 0 HE ARG A 91 13.101 -12.534 -4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.401 -11.619 -7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.081 -11.691 -7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.263 -12.614 -4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 91 16.565 -12.252 -5.213 1.00 0.00 H new ATOM 1410 N ALA A 92 8.013 -14.137 -7.898 1.00 0.00 N ATOM 1411 CA ALA A 92 7.383 -14.129 -9.216 1.00 0.00 C ATOM 1412 C ALA A 92 5.891 -13.817 -9.105 1.00 0.00 C ATOM 1413 O ALA A 92 5.337 -13.085 -9.928 1.00 0.00 O ATOM 1414 CB ALA A 92 7.598 -15.463 -9.915 1.00 0.00 C ATOM 0 H ALA A 92 8.408 -15.037 -7.626 1.00 0.00 H new ATOM 0 HA ALA A 92 7.850 -13.345 -9.812 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.123 -15.441 -10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.666 -15.644 -10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.159 -16.262 -9.317 1.00 0.00 H new ATOM 1420 N LYS A 93 5.250 -14.372 -8.073 1.00 0.00 N ATOM 1421 CA LYS A 93 3.825 -14.150 -7.843 1.00 0.00 C ATOM 1422 C LYS A 93 3.527 -12.667 -7.637 1.00 0.00 C ATOM 1423 O LYS A 93 2.517 -12.162 -8.127 1.00 0.00 O ATOM 1424 CB LYS A 93 3.347 -14.954 -6.629 1.00 0.00 C ATOM 1425 CG LYS A 93 2.163 -15.863 -6.925 1.00 0.00 C ATOM 1426 CD LYS A 93 2.509 -16.922 -7.963 1.00 0.00 C ATOM 1427 CE LYS A 93 2.607 -18.306 -7.341 1.00 0.00 C ATOM 1428 NZ LYS A 93 3.729 -18.403 -6.365 1.00 0.00 N ATOM 0 H LYS A 93 5.697 -14.978 -7.385 1.00 0.00 H new ATOM 0 HA LYS A 93 3.286 -14.489 -8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.174 -15.559 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.073 -14.263 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.838 -16.348 -6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.325 -15.264 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.750 -16.927 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.456 -16.669 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.669 -18.545 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.746 -19.048 -8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.080 -19.381 -6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.499 -17.767 -6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.392 -18.128 -5.420 1.00 0.00 H new ATOM 1442 N THR A 94 4.413 -11.969 -6.917 1.00 0.00 N ATOM 1443 CA THR A 94 4.235 -10.538 -6.661 1.00 0.00 C ATOM 1444 C THR A 94 4.073 -9.773 -7.971 1.00 0.00 C ATOM 1445 O THR A 94 3.243 -8.868 -8.069 1.00 0.00 O ATOM 1446 CB THR A 94 5.419 -9.969 -5.869 1.00 0.00 C ATOM 1447 OG1 THR A 94 6.060 -10.979 -5.106 1.00 0.00 O ATOM 1448 CG2 THR A 94 5.020 -8.858 -4.918 1.00 0.00 C ATOM 0 H THR A 94 5.255 -12.370 -6.504 1.00 0.00 H new ATOM 0 HA THR A 94 3.330 -10.418 -6.066 1.00 0.00 H new ATOM 0 HB THR A 94 6.095 -9.563 -6.621 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.684 -11.474 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.902 -8.498 -4.388 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.576 -8.038 -5.482 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.294 -9.238 -4.199 1.00 0.00 H new ATOM 1456 N GLY A 95 4.865 -10.148 -8.976 1.00 0.00 N ATOM 1457 CA GLY A 95 4.787 -9.493 -10.269 1.00 0.00 C ATOM 1458 C GLY A 95 3.453 -9.722 -10.960 1.00 0.00 C ATOM 1459 O GLY A 95 2.814 -8.768 -11.407 1.00 0.00 O ATOM 0 H GLY A 95 5.558 -10.894 -8.915 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.946 -8.422 -10.140 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.591 -9.860 -10.907 1.00 0.00 H new ATOM 1463 N THR A 96 3.026 -10.985 -11.045 1.00 0.00 N ATOM 1464 CA THR A 96 1.753 -11.324 -11.686 1.00 0.00 C ATOM 1465 C THR A 96 0.576 -10.738 -10.905 1.00 0.00 C ATOM 1466 O THR A 96 -0.335 -10.149 -11.490 1.00 0.00 O ATOM 1467 CB THR A 96 1.591 -12.845 -11.817 1.00 0.00 C ATOM 1468 OG1 THR A 96 2.333 -13.525 -10.818 1.00 0.00 O ATOM 1469 CG2 THR A 96 2.033 -13.380 -13.163 1.00 0.00 C ATOM 0 H THR A 96 3.541 -11.786 -10.680 1.00 0.00 H new ATOM 0 HA THR A 96 1.760 -10.888 -12.685 1.00 0.00 H new ATOM 0 HB THR A 96 0.523 -13.028 -11.702 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.211 -13.074 -9.956 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.892 -14.461 -13.189 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.439 -12.918 -13.951 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.086 -13.148 -13.319 1.00 0.00 H new ATOM 1477 N ASP A 97 0.604 -10.899 -9.581 1.00 0.00 N ATOM 1478 CA ASP A 97 -0.459 -10.382 -8.721 1.00 0.00 C ATOM 1479 C ASP A 97 -0.576 -8.865 -8.837 1.00 0.00 C ATOM 1480 O ASP A 97 -1.680 -8.320 -8.815 1.00 0.00 O ATOM 1481 CB ASP A 97 -0.216 -10.784 -7.264 1.00 0.00 C ATOM 1482 CG ASP A 97 -0.377 -12.278 -7.041 1.00 0.00 C ATOM 1483 OD1 ASP A 97 -1.316 -12.870 -7.618 1.00 0.00 O ATOM 1484 OD2 ASP A 97 0.436 -12.858 -6.290 1.00 0.00 O ATOM 0 H ASP A 97 1.351 -11.383 -9.082 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.399 -10.821 -9.055 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.789 -10.482 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.912 -10.246 -6.621 1.00 0.00 H new ATOM 1489 N LYS A 98 0.566 -8.190 -8.977 1.00 0.00 N ATOM 1490 CA LYS A 98 0.584 -6.735 -9.115 1.00 0.00 C ATOM 1491 C LYS A 98 -0.217 -6.302 -10.342 1.00 0.00 C ATOM 1492 O LYS A 98 -0.848 -5.245 -10.339 1.00 0.00 O ATOM 1493 CB LYS A 98 2.025 -6.226 -9.230 1.00 0.00 C ATOM 1494 CG LYS A 98 2.196 -4.770 -8.825 1.00 0.00 C ATOM 1495 CD LYS A 98 3.664 -4.381 -8.742 1.00 0.00 C ATOM 1496 CE LYS A 98 4.254 -4.709 -7.380 1.00 0.00 C ATOM 1497 NZ LYS A 98 4.641 -6.144 -7.270 1.00 0.00 N ATOM 0 H LYS A 98 1.487 -8.627 -8.998 1.00 0.00 H new ATOM 0 HA LYS A 98 0.126 -6.304 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.670 -6.845 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.363 -6.349 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.689 -4.129 -9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.719 -4.602 -7.859 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.224 -4.904 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.770 -3.314 -8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.129 -4.083 -7.204 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.528 -4.469 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.477 -6.232 -6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.853 -6.686 -6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.864 -6.517 -8.215 1.00 0.00 H new ATOM 1511 N THR A 99 -0.193 -7.136 -11.383 1.00 0.00 N ATOM 1512 CA THR A 99 -0.921 -6.854 -12.617 1.00 0.00 C ATOM 1513 C THR A 99 -2.429 -6.943 -12.380 1.00 0.00 C ATOM 1514 O THR A 99 -3.188 -6.081 -12.824 1.00 0.00 O ATOM 1515 CB THR A 99 -0.498 -7.835 -13.716 1.00 0.00 C ATOM 1516 OG1 THR A 99 0.914 -7.890 -13.820 1.00 0.00 O ATOM 1517 CG2 THR A 99 -1.043 -7.487 -15.086 1.00 0.00 C ATOM 0 H THR A 99 0.325 -8.015 -11.394 1.00 0.00 H new ATOM 0 HA THR A 99 -0.680 -5.841 -12.939 1.00 0.00 H new ATOM 0 HB THR A 99 -0.915 -8.796 -13.415 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.166 -8.522 -14.525 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.702 -8.225 -15.812 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.133 -7.486 -15.055 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.687 -6.499 -15.379 1.00 0.00 H new ATOM 1525 N LEU A 100 -2.849 -7.989 -11.666 1.00 0.00 N ATOM 1526 CA LEU A 100 -4.258 -8.197 -11.354 1.00 0.00 C ATOM 1527 C LEU A 100 -4.805 -7.041 -10.515 1.00 0.00 C ATOM 1528 O LEU A 100 -5.886 -6.515 -10.792 1.00 0.00 O ATOM 1529 CB LEU A 100 -4.435 -9.521 -10.607 1.00 0.00 C ATOM 1530 CG LEU A 100 -4.096 -10.774 -11.421 1.00 0.00 C ATOM 1531 CD1 LEU A 100 -3.639 -11.902 -10.509 1.00 0.00 C ATOM 1532 CD2 LEU A 100 -5.294 -11.211 -12.249 1.00 0.00 C ATOM 0 H LEU A 100 -2.227 -8.707 -11.293 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.818 -8.235 -12.288 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.808 -9.505 -9.716 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.468 -9.595 -10.268 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.278 -10.530 -12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.404 -12.782 -11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.751 -11.589 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.434 -12.145 -9.804 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.035 -12.102 -12.821 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.131 -11.434 -11.588 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.575 -10.410 -12.933 1.00 0.00 H new ATOM 1544 N VAL A 101 -4.043 -6.646 -9.493 1.00 0.00 N ATOM 1545 CA VAL A 101 -4.435 -5.547 -8.612 1.00 0.00 C ATOM 1546 C VAL A 101 -4.481 -4.222 -9.379 1.00 0.00 C ATOM 1547 O VAL A 101 -5.303 -3.352 -9.084 1.00 0.00 O ATOM 1548 CB VAL A 101 -3.466 -5.409 -7.414 1.00 0.00 C ATOM 1549 CG1 VAL A 101 -3.954 -4.351 -6.435 1.00 0.00 C ATOM 1550 CG2 VAL A 101 -3.287 -6.747 -6.708 1.00 0.00 C ATOM 0 H VAL A 101 -3.148 -7.074 -9.256 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.430 -5.780 -8.233 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.498 -5.091 -7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.254 -4.275 -5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.020 -3.389 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.938 -4.631 -6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.602 -6.627 -5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.252 -7.097 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.879 -7.476 -7.408 1.00 0.00 H new ATOM 1560 N LYS A 102 -3.595 -4.080 -10.366 1.00 0.00 N ATOM 1561 CA LYS A 102 -3.536 -2.869 -11.182 1.00 0.00 C ATOM 1562 C LYS A 102 -4.794 -2.717 -12.037 1.00 0.00 C ATOM 1563 O LYS A 102 -5.235 -1.600 -12.310 1.00 0.00 O ATOM 1564 CB LYS A 102 -2.300 -2.898 -12.082 1.00 0.00 C ATOM 1565 CG LYS A 102 -1.550 -1.577 -12.132 1.00 0.00 C ATOM 1566 CD LYS A 102 -0.579 -1.535 -13.302 1.00 0.00 C ATOM 1567 CE LYS A 102 0.329 -0.317 -13.236 1.00 0.00 C ATOM 1568 NZ LYS A 102 0.142 0.579 -14.411 1.00 0.00 N ATOM 0 H LYS A 102 -2.908 -4.790 -10.619 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.473 -2.014 -10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -1.623 -3.677 -11.730 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -2.603 -3.172 -13.092 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -2.262 -0.756 -12.218 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.005 -1.430 -11.199 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.027 -2.441 -13.305 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.137 -1.522 -14.238 1.00 0.00 H new ATOM 0 HE2 LYS A 102 0.126 0.238 -12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.369 -0.641 -13.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.779 1.397 -14.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.360 0.057 -15.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -0.844 0.909 -14.442 1.00 0.00 H new ATOM 1582 N GLU A 103 -5.366 -3.845 -12.458 1.00 0.00 N ATOM 1583 CA GLU A 103 -6.572 -3.836 -13.282 1.00 0.00 C ATOM 1584 C GLU A 103 -7.781 -3.368 -12.471 1.00 0.00 C ATOM 1585 O GLU A 103 -8.463 -2.418 -12.858 1.00 0.00 O ATOM 1586 CB GLU A 103 -6.827 -5.232 -13.859 1.00 0.00 C ATOM 1587 CG GLU A 103 -7.985 -5.286 -14.843 1.00 0.00 C ATOM 1588 CD GLU A 103 -9.065 -6.268 -14.424 1.00 0.00 C ATOM 1589 OE1 GLU A 103 -9.833 -5.943 -13.492 1.00 0.00 O ATOM 1590 OE2 GLU A 103 -9.142 -7.359 -15.028 1.00 0.00 O ATOM 0 H GLU A 103 -5.012 -4.777 -12.241 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.422 -3.136 -14.104 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.922 -5.580 -14.357 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.026 -5.923 -13.040 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.421 -4.292 -14.939 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.608 -5.565 -15.827 1.00 0.00 H new ATOM 1597 N VAL A 104 -8.038 -4.036 -11.345 1.00 0.00 N ATOM 1598 CA VAL A 104 -9.160 -3.685 -10.482 1.00 0.00 C ATOM 1599 C VAL A 104 -9.007 -2.275 -9.903 1.00 0.00 C ATOM 1600 O VAL A 104 -9.998 -1.567 -9.713 1.00 0.00 O ATOM 1601 CB VAL A 104 -9.319 -4.697 -9.329 1.00 0.00 C ATOM 1602 CG1 VAL A 104 -9.892 -6.008 -9.847 1.00 0.00 C ATOM 1603 CG2 VAL A 104 -7.995 -4.934 -8.617 1.00 0.00 C ATOM 0 H VAL A 104 -7.482 -4.823 -11.012 1.00 0.00 H new ATOM 0 HA VAL A 104 -10.054 -3.713 -11.105 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.016 -4.275 -8.605 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -9.998 -6.711 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.869 -5.826 -10.296 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.221 -6.428 -10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.140 -5.652 -7.810 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.266 -5.327 -9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -7.630 -3.993 -8.205 1.00 0.00 H new ATOM 1613 N VAL A 105 -7.764 -1.870 -9.635 1.00 0.00 N ATOM 1614 CA VAL A 105 -7.489 -0.544 -9.089 1.00 0.00 C ATOM 1615 C VAL A 105 -6.828 0.340 -10.141 1.00 0.00 C ATOM 1616 O VAL A 105 -5.630 0.220 -10.404 1.00 0.00 O ATOM 1617 CB VAL A 105 -6.587 -0.612 -7.839 1.00 0.00 C ATOM 1618 CG1 VAL A 105 -6.407 0.774 -7.232 1.00 0.00 C ATOM 1619 CG2 VAL A 105 -7.163 -1.577 -6.812 1.00 0.00 C ATOM 0 H VAL A 105 -6.934 -2.443 -9.788 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.447 -0.114 -8.796 1.00 0.00 H new ATOM 0 HB VAL A 105 -5.608 -0.983 -8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.768 0.705 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.945 1.435 -7.965 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.379 1.174 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.512 -1.610 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.155 -1.240 -6.512 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.235 -2.573 -7.249 1.00 0.00 H new ATOM 1629 N GLN A 106 -7.621 1.222 -10.743 1.00 0.00 N ATOM 1630 CA GLN A 106 -7.125 2.125 -11.778 1.00 0.00 C ATOM 1631 C GLN A 106 -6.946 3.548 -11.246 1.00 0.00 C ATOM 1632 O GLN A 106 -6.041 4.266 -11.675 1.00 0.00 O ATOM 1633 CB GLN A 106 -8.086 2.130 -12.968 1.00 0.00 C ATOM 1634 CG GLN A 106 -8.061 0.840 -13.774 1.00 0.00 C ATOM 1635 CD GLN A 106 -6.872 0.760 -14.714 1.00 0.00 C ATOM 1636 OE1 GLN A 106 -6.650 1.654 -15.529 1.00 0.00 O ATOM 1637 NE2 GLN A 106 -6.098 -0.315 -14.604 1.00 0.00 N ATOM 0 H GLN A 106 -8.613 1.331 -10.531 1.00 0.00 H new ATOM 0 HA GLN A 106 -6.148 1.763 -12.098 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -9.099 2.303 -12.606 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.835 2.964 -13.624 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.037 -0.010 -13.092 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -8.982 0.759 -14.352 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.318 -1.033 -13.914 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.284 -0.421 -15.209 1.00 0.00 H new ATOM 1646 N ASN A 107 -7.814 3.954 -10.318 1.00 0.00 N ATOM 1647 CA ASN A 107 -7.747 5.296 -9.740 1.00 0.00 C ATOM 1648 C ASN A 107 -6.653 5.384 -8.674 1.00 0.00 C ATOM 1649 O ASN A 107 -6.938 5.446 -7.477 1.00 0.00 O ATOM 1650 CB ASN A 107 -9.104 5.687 -9.138 1.00 0.00 C ATOM 1651 CG ASN A 107 -10.185 5.857 -10.191 1.00 0.00 C ATOM 1652 OD1 ASN A 107 -9.965 6.481 -11.229 1.00 0.00 O ATOM 1653 ND2 ASN A 107 -11.364 5.302 -9.926 1.00 0.00 N ATOM 0 H ASN A 107 -8.569 3.374 -9.952 1.00 0.00 H new ATOM 0 HA ASN A 107 -7.499 5.994 -10.540 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.414 4.923 -8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.995 6.618 -8.581 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.129 5.385 -10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.503 4.793 -9.053 1.00 0.00 H new ATOM 1660 N PHE A 108 -5.397 5.393 -9.119 1.00 0.00 N ATOM 1661 CA PHE A 108 -4.259 5.479 -8.206 1.00 0.00 C ATOM 1662 C PHE A 108 -3.333 6.632 -8.593 1.00 0.00 C ATOM 1663 O PHE A 108 -3.321 7.071 -9.744 1.00 0.00 O ATOM 1664 CB PHE A 108 -3.479 4.158 -8.190 1.00 0.00 C ATOM 1665 CG PHE A 108 -3.089 3.659 -9.556 1.00 0.00 C ATOM 1666 CD1 PHE A 108 -2.052 4.253 -10.257 1.00 0.00 C ATOM 1667 CD2 PHE A 108 -3.758 2.592 -10.133 1.00 0.00 C ATOM 1668 CE1 PHE A 108 -1.692 3.793 -11.508 1.00 0.00 C ATOM 1669 CE2 PHE A 108 -3.402 2.127 -11.384 1.00 0.00 C ATOM 1670 CZ PHE A 108 -2.367 2.729 -12.073 1.00 0.00 C ATOM 0 H PHE A 108 -5.142 5.342 -10.105 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.646 5.670 -7.205 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.578 4.288 -7.591 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.083 3.397 -7.696 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -1.519 5.085 -9.820 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -4.568 2.118 -9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.882 4.265 -12.045 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -3.932 1.294 -11.823 1.00 0.00 H new ATOM 0 HZ PHE A 108 -2.086 2.368 -13.052 1.00 0.00 H new ATOM 1680 N ALA A 109 -2.563 7.118 -7.620 1.00 0.00 N ATOM 1681 CA ALA A 109 -1.633 8.219 -7.854 1.00 0.00 C ATOM 1682 C ALA A 109 -0.214 7.706 -8.084 1.00 0.00 C ATOM 1683 O ALA A 109 0.450 8.106 -9.042 1.00 0.00 O ATOM 1684 CB ALA A 109 -1.660 9.194 -6.684 1.00 0.00 C ATOM 0 H ALA A 109 -2.566 6.766 -6.663 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.952 8.741 -8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.962 10.009 -6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.666 9.597 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.372 8.674 -5.770 1.00 0.00 H new ATOM 1690 N LYS A 110 0.248 6.822 -7.198 1.00 0.00 N ATOM 1691 CA LYS A 110 1.592 6.260 -7.304 1.00 0.00 C ATOM 1692 C LYS A 110 1.736 5.015 -6.430 1.00 0.00 C ATOM 1693 O LYS A 110 1.215 4.962 -5.315 1.00 0.00 O ATOM 1694 CB LYS A 110 2.632 7.309 -6.897 1.00 0.00 C ATOM 1695 CG LYS A 110 4.065 6.897 -7.196 1.00 0.00 C ATOM 1696 CD LYS A 110 4.823 6.549 -5.924 1.00 0.00 C ATOM 1697 CE LYS A 110 5.276 7.797 -5.178 1.00 0.00 C ATOM 1698 NZ LYS A 110 6.680 8.169 -5.515 1.00 0.00 N ATOM 0 H LYS A 110 -0.289 6.481 -6.401 1.00 0.00 H new ATOM 0 HA LYS A 110 1.760 5.970 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.416 8.243 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 110 2.536 7.508 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.065 6.038 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.577 7.707 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 110 4.187 5.948 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.691 5.939 -6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.612 8.627 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.193 7.628 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.955 9.013 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.315 7.381 -5.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.751 8.372 -6.533 1.00 0.00 H new ATOM 1712 N GLU A 111 2.451 4.017 -6.945 1.00 0.00 N ATOM 1713 CA GLU A 111 2.671 2.768 -6.218 1.00 0.00 C ATOM 1714 C GLU A 111 4.131 2.332 -6.319 1.00 0.00 C ATOM 1715 O GLU A 111 4.803 2.615 -7.312 1.00 0.00 O ATOM 1716 CB GLU A 111 1.760 1.666 -6.767 1.00 0.00 C ATOM 1717 CG GLU A 111 1.882 1.467 -8.272 1.00 0.00 C ATOM 1718 CD GLU A 111 0.991 0.353 -8.794 1.00 0.00 C ATOM 1719 OE1 GLU A 111 -0.177 0.267 -8.357 1.00 0.00 O ATOM 1720 OE2 GLU A 111 1.461 -0.433 -9.645 1.00 0.00 O ATOM 0 H GLU A 111 2.889 4.049 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 111 2.431 2.939 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.996 0.728 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 111 0.725 1.907 -6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.626 2.398 -8.779 1.00 0.00 H new ATOM 0 HG3 GLU A 111 2.919 1.243 -8.521 1.00 0.00 H new ATOM 1727 N PHE A 112 4.616 1.641 -5.290 1.00 0.00 N ATOM 1728 CA PHE A 112 5.997 1.166 -5.274 1.00 0.00 C ATOM 1729 C PHE A 112 6.189 0.021 -4.282 1.00 0.00 C ATOM 1730 O PHE A 112 5.388 -0.161 -3.361 1.00 0.00 O ATOM 1731 CB PHE A 112 6.960 2.311 -4.941 1.00 0.00 C ATOM 1732 CG PHE A 112 6.613 3.054 -3.680 1.00 0.00 C ATOM 1733 CD1 PHE A 112 5.694 4.091 -3.703 1.00 0.00 C ATOM 1734 CD2 PHE A 112 7.213 2.722 -2.475 1.00 0.00 C ATOM 1735 CE1 PHE A 112 5.378 4.781 -2.550 1.00 0.00 C ATOM 1736 CE2 PHE A 112 6.899 3.409 -1.317 1.00 0.00 C ATOM 1737 CZ PHE A 112 5.982 4.440 -1.356 1.00 0.00 C ATOM 0 H PHE A 112 4.076 1.398 -4.460 1.00 0.00 H new ATOM 0 HA PHE A 112 6.220 0.790 -6.272 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.969 1.908 -4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.973 3.015 -5.773 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.219 4.363 -4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.933 1.918 -2.441 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.659 5.587 -2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 112 7.370 3.139 -0.383 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.737 4.980 -0.453 1.00 0.00 H new ATOM 1747 N VAL A 113 7.260 -0.743 -4.481 1.00 0.00 N ATOM 1748 CA VAL A 113 7.579 -1.868 -3.620 1.00 0.00 C ATOM 1749 C VAL A 113 8.457 -1.429 -2.449 1.00 0.00 C ATOM 1750 O VAL A 113 9.198 -0.450 -2.552 1.00 0.00 O ATOM 1751 CB VAL A 113 8.306 -2.975 -4.409 1.00 0.00 C ATOM 1752 CG1 VAL A 113 7.345 -3.685 -5.352 1.00 0.00 C ATOM 1753 CG2 VAL A 113 9.491 -2.404 -5.178 1.00 0.00 C ATOM 0 H VAL A 113 7.925 -0.597 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 113 6.638 -2.260 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 113 8.685 -3.706 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.879 -4.462 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.537 -4.136 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 113 6.929 -2.966 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.988 -3.204 -5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.139 -1.647 -5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.195 -1.952 -4.479 1.00 0.00 H new ATOM 1763 N ILE A 114 8.369 -2.161 -1.340 1.00 0.00 N ATOM 1764 CA ILE A 114 9.157 -1.851 -0.148 1.00 0.00 C ATOM 1765 C ILE A 114 9.738 -3.122 0.466 1.00 0.00 C ATOM 1766 O ILE A 114 9.027 -4.109 0.663 1.00 0.00 O ATOM 1767 CB ILE A 114 8.317 -1.110 0.912 1.00 0.00 C ATOM 1768 CG1 ILE A 114 7.671 0.137 0.301 1.00 0.00 C ATOM 1769 CG2 ILE A 114 9.183 -0.732 2.106 1.00 0.00 C ATOM 1770 CD1 ILE A 114 6.648 0.793 1.203 1.00 0.00 C ATOM 0 H ILE A 114 7.760 -2.973 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 114 9.970 -1.198 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 114 7.526 -1.776 1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.451 0.861 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.192 -0.136 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.576 -0.210 2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.601 -1.634 2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.993 -0.081 1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.233 1.669 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.848 0.086 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.126 1.097 2.134 1.00 0.00 H new ATOM 1782 N SER A 115 11.036 -3.087 0.763 1.00 0.00 N ATOM 1783 CA SER A 115 11.723 -4.235 1.351 1.00 0.00 C ATOM 1784 C SER A 115 12.441 -3.848 2.649 1.00 0.00 C ATOM 1785 O SER A 115 13.496 -4.396 2.971 1.00 0.00 O ATOM 1786 CB SER A 115 12.728 -4.812 0.346 1.00 0.00 C ATOM 1787 OG SER A 115 12.241 -4.720 -0.984 1.00 0.00 O ATOM 0 H SER A 115 11.633 -2.275 0.606 1.00 0.00 H new ATOM 0 HA SER A 115 10.976 -4.991 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.674 -4.276 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 115 12.931 -5.855 0.590 1.00 0.00 H new ATOM 0 HG SER A 115 12.904 -5.094 -1.602 1.00 0.00 H new ATOM 1793 N ASP A 116 11.860 -2.902 3.388 1.00 0.00 N ATOM 1794 CA ASP A 116 12.440 -2.438 4.648 1.00 0.00 C ATOM 1795 C ASP A 116 11.435 -1.605 5.442 1.00 0.00 C ATOM 1796 O ASP A 116 10.529 -0.996 4.871 1.00 0.00 O ATOM 1797 CB ASP A 116 13.708 -1.618 4.384 1.00 0.00 C ATOM 1798 CG ASP A 116 13.459 -0.428 3.478 1.00 0.00 C ATOM 1799 OD1 ASP A 116 13.147 -0.643 2.288 1.00 0.00 O ATOM 1800 OD2 ASP A 116 13.574 0.717 3.960 1.00 0.00 O ATOM 0 H ASP A 116 10.986 -2.441 3.134 1.00 0.00 H new ATOM 0 HA ASP A 116 12.701 -3.316 5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 116 14.113 -1.268 5.333 1.00 0.00 H new ATOM 0 HB3 ASP A 116 14.464 -2.261 3.933 1.00 0.00 H new ATOM 1805 N ARG A 117 11.603 -1.589 6.762 1.00 0.00 N ATOM 1806 CA ARG A 117 10.716 -0.842 7.643 1.00 0.00 C ATOM 1807 C ARG A 117 10.876 0.669 7.465 1.00 0.00 C ATOM 1808 O ARG A 117 9.952 1.430 7.756 1.00 0.00 O ATOM 1809 CB ARG A 117 10.981 -1.228 9.098 1.00 0.00 C ATOM 1810 CG ARG A 117 12.353 -0.812 9.606 1.00 0.00 C ATOM 1811 CD ARG A 117 12.559 -1.229 11.053 1.00 0.00 C ATOM 1812 NE ARG A 117 13.122 -0.147 11.861 1.00 0.00 N ATOM 1813 CZ ARG A 117 12.410 0.868 12.357 1.00 0.00 C ATOM 1814 NH1 ARG A 117 11.104 0.960 12.113 1.00 0.00 N ATOM 1815 NH2 ARG A 117 13.007 1.800 13.092 1.00 0.00 N ATOM 0 H ARG A 117 12.350 -2.088 7.245 1.00 0.00 H new ATOM 0 HA ARG A 117 9.691 -1.099 7.376 1.00 0.00 H new ATOM 0 HB2 ARG A 117 10.217 -0.773 9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 117 10.878 -2.308 9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 117 13.125 -1.262 8.983 1.00 0.00 H new ATOM 0 HG3 ARG A 117 12.463 0.269 9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 117 11.606 -1.541 11.479 1.00 0.00 H new ATOM 0 HD3 ARG A 117 13.223 -2.092 11.090 1.00 0.00 H new ATOM 0 HE ARG A 117 14.123 -0.169 12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.640 0.252 11.544 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.567 1.738 12.496 1.00 0.00 H new ATOM 0 HH21 ARG A 117 14.008 1.740 13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.464 2.576 13.471 1.00 0.00 H new ATOM 1829 N LYS A 118 12.045 1.102 6.989 1.00 0.00 N ATOM 1830 CA LYS A 118 12.302 2.525 6.780 1.00 0.00 C ATOM 1831 C LYS A 118 11.363 3.097 5.720 1.00 0.00 C ATOM 1832 O LYS A 118 10.624 4.047 5.982 1.00 0.00 O ATOM 1833 CB LYS A 118 13.758 2.745 6.366 1.00 0.00 C ATOM 1834 CG LYS A 118 14.368 4.018 6.926 1.00 0.00 C ATOM 1835 CD LYS A 118 14.506 3.959 8.440 1.00 0.00 C ATOM 1836 CE LYS A 118 14.233 5.314 9.077 1.00 0.00 C ATOM 1837 NZ LYS A 118 13.822 5.190 10.503 1.00 0.00 N ATOM 0 H LYS A 118 12.823 0.491 6.743 1.00 0.00 H new ATOM 0 HA LYS A 118 12.118 3.046 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.352 1.893 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.816 2.773 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 118 15.348 4.179 6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 118 13.747 4.871 6.650 1.00 0.00 H new ATOM 0 HD2 LYS A 118 13.812 3.220 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 118 15.511 3.628 8.702 1.00 0.00 H new ATOM 0 HE2 LYS A 118 15.128 5.932 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 118 13.450 5.826 8.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 13.646 6.136 10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 12.953 4.622 10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 14.579 4.725 11.043 1.00 0.00 H new ATOM 1851 N GLU A 119 11.395 2.504 4.528 1.00 0.00 N ATOM 1852 CA GLU A 119 10.546 2.941 3.422 1.00 0.00 C ATOM 1853 C GLU A 119 9.083 2.557 3.657 1.00 0.00 C ATOM 1854 O GLU A 119 8.173 3.189 3.118 1.00 0.00 O ATOM 1855 CB GLU A 119 11.038 2.328 2.109 1.00 0.00 C ATOM 1856 CG GLU A 119 12.319 2.957 1.582 1.00 0.00 C ATOM 1857 CD GLU A 119 12.956 2.141 0.473 1.00 0.00 C ATOM 1858 OE1 GLU A 119 12.258 1.837 -0.519 1.00 0.00 O ATOM 1859 OE2 GLU A 119 14.152 1.803 0.598 1.00 0.00 O ATOM 0 H GLU A 119 12.003 1.716 4.303 1.00 0.00 H new ATOM 0 HA GLU A 119 10.607 4.028 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.202 1.260 2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.257 2.430 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.102 3.959 1.212 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.029 3.067 2.401 1.00 0.00 H new ATOM 1866 N LEU A 120 8.865 1.519 4.470 1.00 0.00 N ATOM 1867 CA LEU A 120 7.519 1.049 4.785 1.00 0.00 C ATOM 1868 C LEU A 120 6.827 2.008 5.756 1.00 0.00 C ATOM 1869 O LEU A 120 5.596 2.079 5.799 1.00 0.00 O ATOM 1870 CB LEU A 120 7.592 -0.371 5.372 1.00 0.00 C ATOM 1871 CG LEU A 120 6.500 -0.733 6.381 1.00 0.00 C ATOM 1872 CD1 LEU A 120 5.168 -0.951 5.678 1.00 0.00 C ATOM 1873 CD2 LEU A 120 6.897 -1.971 7.172 1.00 0.00 C ATOM 0 H LEU A 120 9.609 0.988 4.922 1.00 0.00 H new ATOM 0 HA LEU A 120 6.928 1.020 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.552 -1.086 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.561 -0.495 5.855 1.00 0.00 H new ATOM 0 HG LEU A 120 6.385 0.099 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.406 -1.207 6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.878 -0.038 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.265 -1.764 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.110 -2.215 7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.041 -2.808 6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.826 -1.777 7.709 1.00 0.00 H new ATOM 1885 N GLU A 121 7.626 2.743 6.532 1.00 0.00 N ATOM 1886 CA GLU A 121 7.105 3.700 7.500 1.00 0.00 C ATOM 1887 C GLU A 121 6.119 4.666 6.842 1.00 0.00 C ATOM 1888 O GLU A 121 6.399 5.241 5.788 1.00 0.00 O ATOM 1889 CB GLU A 121 8.260 4.473 8.139 1.00 0.00 C ATOM 1890 CG GLU A 121 7.912 5.103 9.480 1.00 0.00 C ATOM 1891 CD GLU A 121 8.853 6.234 9.864 1.00 0.00 C ATOM 1892 OE1 GLU A 121 10.066 6.127 9.578 1.00 0.00 O ATOM 1893 OE2 GLU A 121 8.376 7.224 10.456 1.00 0.00 O ATOM 0 H GLU A 121 8.644 2.690 6.505 1.00 0.00 H new ATOM 0 HA GLU A 121 6.570 3.150 8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.105 3.798 8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.584 5.256 7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.891 5.483 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.939 4.336 10.254 1.00 0.00 H new ATOM 1900 N GLU A 122 4.957 4.825 7.473 1.00 0.00 N ATOM 1901 CA GLU A 122 3.902 5.708 6.964 1.00 0.00 C ATOM 1902 C GLU A 122 4.433 7.106 6.645 1.00 0.00 C ATOM 1903 O GLU A 122 4.057 7.703 5.633 1.00 0.00 O ATOM 1904 CB GLU A 122 2.760 5.804 7.979 1.00 0.00 C ATOM 1905 CG GLU A 122 1.528 6.520 7.445 1.00 0.00 C ATOM 1906 CD GLU A 122 0.403 6.581 8.459 1.00 0.00 C ATOM 1907 OE1 GLU A 122 0.463 7.442 9.361 1.00 0.00 O ATOM 1908 OE2 GLU A 122 -0.538 5.767 8.349 1.00 0.00 O ATOM 0 H GLU A 122 4.719 4.351 8.344 1.00 0.00 H new ATOM 0 HA GLU A 122 3.531 5.274 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 122 2.478 4.799 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.117 6.326 8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 122 1.801 7.533 7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 122 1.176 6.010 6.548 1.00 0.00 H new ATOM 1915 N ASN A 123 5.307 7.621 7.508 1.00 0.00 N ATOM 1916 CA ASN A 123 5.890 8.947 7.313 1.00 0.00 C ATOM 1917 C ASN A 123 6.699 8.988 6.023 1.00 0.00 C ATOM 1918 O ASN A 123 6.638 9.961 5.268 1.00 0.00 O ATOM 1919 CB ASN A 123 6.783 9.320 8.499 1.00 0.00 C ATOM 1920 CG ASN A 123 6.099 10.259 9.475 1.00 0.00 C ATOM 1921 OD1 ASN A 123 6.112 11.477 9.293 1.00 0.00 O ATOM 1922 ND2 ASN A 123 5.497 9.699 10.520 1.00 0.00 N ATOM 0 H ASN A 123 5.627 7.140 8.349 1.00 0.00 H new ATOM 0 HA ASN A 123 5.077 9.670 7.243 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.082 8.412 9.023 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.695 9.789 8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 123 5.022 10.283 11.208 1.00 0.00 H new ATOM 0 HD22 ASN A 123 5.510 8.685 10.633 1.00 0.00 H new ATOM 1929 N PHE A 124 7.454 7.918 5.780 1.00 0.00 N ATOM 1930 CA PHE A 124 8.281 7.810 4.584 1.00 0.00 C ATOM 1931 C PHE A 124 7.422 7.806 3.320 1.00 0.00 C ATOM 1932 O PHE A 124 7.697 8.544 2.373 1.00 0.00 O ATOM 1933 CB PHE A 124 9.129 6.539 4.647 1.00 0.00 C ATOM 1934 CG PHE A 124 10.273 6.538 3.675 1.00 0.00 C ATOM 1935 CD1 PHE A 124 10.048 6.353 2.320 1.00 0.00 C ATOM 1936 CD2 PHE A 124 11.574 6.729 4.115 1.00 0.00 C ATOM 1937 CE1 PHE A 124 11.097 6.358 1.423 1.00 0.00 C ATOM 1938 CE2 PHE A 124 12.627 6.735 3.222 1.00 0.00 C ATOM 1939 CZ PHE A 124 12.389 6.550 1.874 1.00 0.00 C ATOM 0 H PHE A 124 7.509 7.110 6.401 1.00 0.00 H new ATOM 0 HA PHE A 124 8.938 8.679 4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 124 9.520 6.422 5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 124 8.493 5.676 4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 124 9.040 6.203 1.962 1.00 0.00 H new ATOM 0 HD2 PHE A 124 11.766 6.875 5.168 1.00 0.00 H new ATOM 0 HE1 PHE A 124 10.908 6.212 0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 124 13.636 6.884 3.577 1.00 0.00 H new ATOM 0 HZ PHE A 124 13.211 6.555 1.174 1.00 0.00 H new ATOM 1949 N ILE A 125 6.382 6.970 3.315 1.00 0.00 N ATOM 1950 CA ILE A 125 5.480 6.867 2.168 1.00 0.00 C ATOM 1951 C ILE A 125 4.873 8.226 1.825 1.00 0.00 C ATOM 1952 O ILE A 125 4.866 8.636 0.662 1.00 0.00 O ATOM 1953 CB ILE A 125 4.340 5.858 2.429 1.00 0.00 C ATOM 1954 CG1 ILE A 125 4.907 4.507 2.880 1.00 0.00 C ATOM 1955 CG2 ILE A 125 3.484 5.684 1.182 1.00 0.00 C ATOM 1956 CD1 ILE A 125 4.052 3.805 3.911 1.00 0.00 C ATOM 0 H ILE A 125 6.144 6.355 4.093 1.00 0.00 H new ATOM 0 HA ILE A 125 6.078 6.513 1.328 1.00 0.00 H new ATOM 0 HB ILE A 125 3.712 6.252 3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.017 3.860 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.905 4.660 3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.686 4.970 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.049 6.644 0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.103 5.314 0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.515 2.856 4.183 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.963 4.432 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.061 3.620 3.497 1.00 0.00 H new ATOM 1968 N LYS A 126 4.365 8.917 2.847 1.00 0.00 N ATOM 1969 CA LYS A 126 3.755 10.233 2.665 1.00 0.00 C ATOM 1970 C LYS A 126 4.725 11.200 1.986 1.00 0.00 C ATOM 1971 O LYS A 126 4.346 11.919 1.061 1.00 0.00 O ATOM 1972 CB LYS A 126 3.306 10.795 4.018 1.00 0.00 C ATOM 1973 CG LYS A 126 2.529 12.098 3.920 1.00 0.00 C ATOM 1974 CD LYS A 126 3.140 13.180 4.796 1.00 0.00 C ATOM 1975 CE LYS A 126 2.692 13.051 6.244 1.00 0.00 C ATOM 1976 NZ LYS A 126 1.590 13.998 6.574 1.00 0.00 N ATOM 0 H LYS A 126 4.365 8.585 3.811 1.00 0.00 H new ATOM 0 HA LYS A 126 2.885 10.119 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.687 10.052 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.185 10.954 4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 126 2.511 12.435 2.884 1.00 0.00 H new ATOM 0 HG3 LYS A 126 1.494 11.929 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 126 4.227 13.119 4.745 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.857 14.161 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 126 2.361 12.030 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 126 3.540 13.237 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.315 13.877 7.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.914 14.974 6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.771 13.804 5.963 1.00 0.00 H new ATOM 1990 N SER A 127 5.975 11.207 2.444 1.00 0.00 N ATOM 1991 CA SER A 127 6.997 12.079 1.874 1.00 0.00 C ATOM 1992 C SER A 127 7.302 11.688 0.427 1.00 0.00 C ATOM 1993 O SER A 127 7.495 12.553 -0.430 1.00 0.00 O ATOM 1994 CB SER A 127 8.272 12.018 2.716 1.00 0.00 C ATOM 1995 OG SER A 127 8.852 13.302 2.863 1.00 0.00 O ATOM 0 H SER A 127 6.304 10.618 3.209 1.00 0.00 H new ATOM 0 HA SER A 127 6.616 13.100 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.042 11.605 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 127 8.989 11.344 2.247 1.00 0.00 H new ATOM 0 HG SER A 127 9.664 13.234 3.407 1.00 0.00 H new ATOM 2001 N GLU A 128 7.338 10.380 0.166 1.00 0.00 N ATOM 2002 CA GLU A 128 7.614 9.858 -1.172 1.00 0.00 C ATOM 2003 C GLU A 128 6.576 10.354 -2.179 1.00 0.00 C ATOM 2004 O GLU A 128 6.928 10.912 -3.221 1.00 0.00 O ATOM 2005 CB GLU A 128 7.629 8.326 -1.145 1.00 0.00 C ATOM 2006 CG GLU A 128 8.042 7.689 -2.462 1.00 0.00 C ATOM 2007 CD GLU A 128 9.533 7.783 -2.712 1.00 0.00 C ATOM 2008 OE1 GLU A 128 10.296 7.068 -2.030 1.00 0.00 O ATOM 2009 OE2 GLU A 128 9.938 8.576 -3.588 1.00 0.00 O ATOM 0 H GLU A 128 7.178 9.659 0.870 1.00 0.00 H new ATOM 0 HA GLU A 128 8.593 10.221 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.311 7.993 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.635 7.968 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 128 7.742 6.641 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 128 7.509 8.175 -3.279 1.00 0.00 H new ATOM 2016 N LEU A 129 5.298 10.143 -1.864 1.00 0.00 N ATOM 2017 CA LEU A 129 4.207 10.565 -2.743 1.00 0.00 C ATOM 2018 C LEU A 129 4.068 12.090 -2.783 1.00 0.00 C ATOM 2019 O LEU A 129 3.553 12.641 -3.758 1.00 0.00 O ATOM 2020 CB LEU A 129 2.882 9.931 -2.304 1.00 0.00 C ATOM 2021 CG LEU A 129 2.508 10.131 -0.832 1.00 0.00 C ATOM 2022 CD1 LEU A 129 1.592 11.337 -0.668 1.00 0.00 C ATOM 2023 CD2 LEU A 129 1.840 8.881 -0.279 1.00 0.00 C ATOM 0 H LEU A 129 4.993 9.682 -1.007 1.00 0.00 H new ATOM 0 HA LEU A 129 4.452 10.222 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.082 10.339 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.927 8.861 -2.507 1.00 0.00 H new ATOM 0 HG LEU A 129 3.423 10.315 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 129 1.339 11.461 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.101 12.232 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.680 11.182 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 129 1.581 9.040 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.935 8.670 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 129 2.525 8.037 -0.359 1.00 0.00 H new ATOM 2035 N LYS A 130 4.525 12.766 -1.725 1.00 0.00 N ATOM 2036 CA LYS A 130 4.446 14.226 -1.651 1.00 0.00 C ATOM 2037 C LYS A 130 5.142 14.876 -2.845 1.00 0.00 C ATOM 2038 O LYS A 130 4.555 15.713 -3.532 1.00 0.00 O ATOM 2039 CB LYS A 130 5.073 14.733 -0.348 1.00 0.00 C ATOM 2040 CG LYS A 130 4.417 15.994 0.196 1.00 0.00 C ATOM 2041 CD LYS A 130 4.737 17.209 -0.664 1.00 0.00 C ATOM 2042 CE LYS A 130 4.440 18.509 0.070 1.00 0.00 C ATOM 2043 NZ LYS A 130 4.924 19.702 -0.682 1.00 0.00 N ATOM 0 H LYS A 130 4.952 12.326 -0.910 1.00 0.00 H new ATOM 0 HA LYS A 130 3.392 14.502 -1.672 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.010 13.947 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 130 6.132 14.929 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 130 3.337 15.853 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.757 16.170 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 130 5.788 17.185 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 130 4.154 17.168 -1.584 1.00 0.00 H new ATOM 0 HE2 LYS A 130 3.366 18.595 0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 130 4.911 18.485 1.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 4.701 20.565 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 5.953 19.634 -0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 4.456 19.741 -1.610 1.00 0.00 H new