USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 700 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 17 SER OG : rot -52:sc= 0.928 USER MOD Set 1.2: A 60 SER OG : rot 92:sc= 0.989 USER MOD Set 2.1: A 39 THR OG1 : rot -38:sc= 0.425 USER MOD Set 2.2: A 69 THR OG1 : rot 84:sc= 1.41 USER MOD Set 3.1: A 35 THR OG1 : rot -93:sc= 0.612 USER MOD Set 3.2: A 71 THR OG1 : rot -132:sc= 0.519 USER MOD Single : A 1 VAL N :NH3+ 147:sc= -0.105 (180deg=-0.823) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.162 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 150:sc= -0.136 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.184 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.17) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= -0.388 (180deg=-1.48) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 38:sc= 1.52 USER MOD Single : A 81 SER OG : rot 180:sc= -0.596 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.464! USER MOD Single : A 86 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.669) USER MOD Single : A 89 SER OG : rot -34:sc= -2.45! USER MOD Single : A 91 ASN : amide:sc= -0.716 K(o=-0.72,f=-2!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.536 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 12.424 17.337 -9.578 1.00 0.00 N ATOM 2 CA VAL A 1 10.956 17.363 -9.367 1.00 0.00 C ATOM 3 C VAL A 1 10.261 16.461 -10.383 1.00 0.00 C ATOM 4 O VAL A 1 10.732 16.287 -11.491 1.00 0.00 O ATOM 5 CB VAL A 1 10.426 18.802 -9.540 1.00 0.00 C ATOM 6 CG1 VAL A 1 10.896 19.358 -10.885 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.895 18.788 -9.508 1.00 0.00 C ATOM 0 H1 VAL A 1 12.826 18.266 -9.338 1.00 0.00 H new ATOM 0 H2 VAL A 1 12.849 16.608 -8.970 1.00 0.00 H new ATOM 0 H3 VAL A 1 12.628 17.118 -10.574 1.00 0.00 H new ATOM 0 HA VAL A 1 10.747 17.008 -8.358 1.00 0.00 H new ATOM 0 HB VAL A 1 10.804 19.428 -8.732 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.523 20.374 -11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 1 11.986 19.366 -10.915 1.00 0.00 H new ATOM 0 HG13 VAL A 1 10.515 18.731 -11.691 1.00 0.00 H new ATOM 0 HG21 VAL A 1 8.519 19.804 -9.630 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.520 18.163 -10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 1 8.555 18.388 -8.553 1.00 0.00 H new ATOM 19 N SER A 2 9.152 15.897 -9.982 1.00 0.00 N ATOM 20 CA SER A 2 8.410 15.005 -10.909 1.00 0.00 C ATOM 21 C SER A 2 7.000 14.726 -10.387 1.00 0.00 C ATOM 22 O SER A 2 6.779 14.679 -9.192 1.00 0.00 O ATOM 23 CB SER A 2 9.176 13.674 -11.021 1.00 0.00 C ATOM 24 OG SER A 2 8.760 12.931 -9.886 1.00 0.00 O ATOM 0 H SER A 2 8.734 16.016 -9.059 1.00 0.00 H new ATOM 0 HA SER A 2 8.328 15.491 -11.881 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.934 13.153 -11.947 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.254 13.834 -11.018 1.00 0.00 H new ATOM 0 HG SER A 2 9.207 12.059 -9.884 1.00 0.00 H new ATOM 30 N ASP A 3 6.071 14.541 -11.302 1.00 0.00 N ATOM 31 CA ASP A 3 4.663 14.263 -10.887 1.00 0.00 C ATOM 32 C ASP A 3 4.281 12.818 -11.188 1.00 0.00 C ATOM 33 O ASP A 3 3.229 12.357 -10.788 1.00 0.00 O ATOM 34 CB ASP A 3 3.729 15.193 -11.680 1.00 0.00 C ATOM 35 CG ASP A 3 3.391 16.416 -10.825 1.00 0.00 C ATOM 36 OD1 ASP A 3 2.605 16.235 -9.910 1.00 0.00 O ATOM 37 OD2 ASP A 3 3.941 17.460 -11.134 1.00 0.00 O ATOM 0 H ASP A 3 6.230 14.571 -12.309 1.00 0.00 H new ATOM 0 HA ASP A 3 4.571 14.433 -9.814 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.209 15.505 -12.608 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.817 14.663 -11.955 1.00 0.00 H new ATOM 42 N VAL A 4 5.139 12.126 -11.887 1.00 0.00 N ATOM 43 CA VAL A 4 4.836 10.712 -12.218 1.00 0.00 C ATOM 44 C VAL A 4 5.468 9.773 -11.151 1.00 0.00 C ATOM 45 O VAL A 4 6.614 9.963 -10.790 1.00 0.00 O ATOM 46 CB VAL A 4 5.481 10.393 -13.594 1.00 0.00 C ATOM 47 CG1 VAL A 4 5.111 8.965 -14.027 1.00 0.00 C ATOM 48 CG2 VAL A 4 4.961 11.382 -14.642 1.00 0.00 C ATOM 0 H VAL A 4 6.029 12.478 -12.239 1.00 0.00 H new ATOM 0 HA VAL A 4 3.757 10.560 -12.242 1.00 0.00 H new ATOM 0 HB VAL A 4 6.564 10.478 -13.507 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.567 8.748 -14.993 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.476 8.254 -13.286 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.028 8.879 -14.110 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.413 11.159 -15.608 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.877 11.294 -14.719 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.222 12.398 -14.345 1.00 0.00 H new ATOM 58 N PRO A 5 4.716 8.775 -10.643 1.00 0.00 N ATOM 59 CA PRO A 5 5.272 7.870 -9.644 1.00 0.00 C ATOM 60 C PRO A 5 6.561 7.244 -10.160 1.00 0.00 C ATOM 61 O PRO A 5 7.111 7.689 -11.147 1.00 0.00 O ATOM 62 CB PRO A 5 4.194 6.781 -9.441 1.00 0.00 C ATOM 63 CG PRO A 5 2.937 7.222 -10.252 1.00 0.00 C ATOM 64 CD PRO A 5 3.312 8.503 -11.013 1.00 0.00 C ATOM 0 HA PRO A 5 5.514 8.385 -8.715 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.555 5.813 -9.787 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.951 6.672 -8.384 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.632 6.438 -10.945 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.094 7.404 -9.586 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.208 8.367 -12.089 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.663 9.332 -10.732 1.00 0.00 H new ATOM 72 N ARG A 6 7.027 6.223 -9.502 1.00 0.00 N ATOM 73 CA ARG A 6 8.284 5.593 -9.985 1.00 0.00 C ATOM 74 C ARG A 6 8.504 4.208 -9.409 1.00 0.00 C ATOM 75 O ARG A 6 7.757 3.751 -8.572 1.00 0.00 O ATOM 76 CB ARG A 6 9.477 6.494 -9.597 1.00 0.00 C ATOM 77 CG ARG A 6 9.437 6.818 -8.094 1.00 0.00 C ATOM 78 CD ARG A 6 10.216 8.111 -7.850 1.00 0.00 C ATOM 79 NE ARG A 6 10.491 8.247 -6.394 1.00 0.00 N ATOM 80 CZ ARG A 6 11.494 8.983 -5.998 1.00 0.00 C ATOM 81 NH1 ARG A 6 12.687 8.458 -5.972 1.00 0.00 N ATOM 82 NH2 ARG A 6 11.268 10.218 -5.642 1.00 0.00 N ATOM 0 H ARG A 6 6.606 5.806 -8.672 1.00 0.00 H new ATOM 0 HA ARG A 6 8.203 5.487 -11.067 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.414 5.994 -9.843 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.447 7.417 -10.176 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.406 6.929 -7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 6 9.872 6.000 -7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.151 8.098 -8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.644 8.968 -8.206 1.00 0.00 H new ATOM 0 HE ARG A 6 9.902 7.770 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.824 7.489 -6.258 1.00 0.00 H new ATOM 0 HH12 ARG A 6 13.484 9.017 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 6 10.320 10.593 -5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 6 12.039 10.808 -5.330 1.00 0.00 H new ATOM 96 N ASP A 7 9.552 3.582 -9.895 1.00 0.00 N ATOM 97 CA ASP A 7 9.923 2.208 -9.444 1.00 0.00 C ATOM 98 C ASP A 7 9.419 1.872 -8.050 1.00 0.00 C ATOM 99 O ASP A 7 10.018 2.253 -7.061 1.00 0.00 O ATOM 100 CB ASP A 7 11.456 2.112 -9.435 1.00 0.00 C ATOM 101 CG ASP A 7 11.988 2.363 -10.845 1.00 0.00 C ATOM 102 OD1 ASP A 7 11.602 1.598 -11.713 1.00 0.00 O ATOM 103 OD2 ASP A 7 12.755 3.304 -10.975 1.00 0.00 O ATOM 0 H ASP A 7 10.175 3.977 -10.599 1.00 0.00 H new ATOM 0 HA ASP A 7 9.459 1.502 -10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 7 11.873 2.842 -8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.768 1.127 -9.087 1.00 0.00 H new ATOM 108 N LEU A 8 8.314 1.174 -7.993 1.00 0.00 N ATOM 109 CA LEU A 8 7.766 0.802 -6.670 1.00 0.00 C ATOM 110 C LEU A 8 8.832 0.020 -5.898 1.00 0.00 C ATOM 111 O LEU A 8 9.992 0.045 -6.257 1.00 0.00 O ATOM 112 CB LEU A 8 6.518 -0.119 -6.844 1.00 0.00 C ATOM 113 CG LEU A 8 5.737 0.166 -8.167 1.00 0.00 C ATOM 114 CD1 LEU A 8 5.686 1.686 -8.488 1.00 0.00 C ATOM 115 CD2 LEU A 8 6.397 -0.611 -9.328 1.00 0.00 C ATOM 0 H LEU A 8 7.778 0.852 -8.799 1.00 0.00 H new ATOM 0 HA LEU A 8 7.481 1.708 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.837 -1.161 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.849 0.019 -5.995 1.00 0.00 H new ATOM 0 HG LEU A 8 4.708 -0.171 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.135 1.844 -9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.187 2.213 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.701 2.069 -8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.854 -0.414 -10.253 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.432 -0.289 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.371 -1.679 -9.112 1.00 0.00 H new ATOM 127 N GLU A 9 8.440 -0.672 -4.860 1.00 0.00 N ATOM 128 CA GLU A 9 9.467 -1.439 -4.102 1.00 0.00 C ATOM 129 C GLU A 9 8.853 -2.410 -3.099 1.00 0.00 C ATOM 130 O GLU A 9 7.921 -2.083 -2.392 1.00 0.00 O ATOM 131 CB GLU A 9 10.349 -0.440 -3.330 1.00 0.00 C ATOM 132 CG GLU A 9 11.765 -1.015 -3.206 1.00 0.00 C ATOM 133 CD GLU A 9 12.450 -0.970 -4.573 1.00 0.00 C ATOM 134 OE1 GLU A 9 12.479 0.114 -5.130 1.00 0.00 O ATOM 135 OE2 GLU A 9 12.908 -2.024 -4.984 1.00 0.00 O ATOM 0 H GLU A 9 7.483 -0.738 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 9 10.042 -2.022 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.376 0.518 -3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.930 -0.254 -2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.340 -0.442 -2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.723 -2.041 -2.841 1.00 0.00 H new ATOM 142 N VAL A 10 9.401 -3.596 -3.067 1.00 0.00 N ATOM 143 CA VAL A 10 8.891 -4.623 -2.128 1.00 0.00 C ATOM 144 C VAL A 10 9.626 -4.483 -0.795 1.00 0.00 C ATOM 145 O VAL A 10 10.808 -4.196 -0.782 1.00 0.00 O ATOM 146 CB VAL A 10 9.186 -6.007 -2.726 1.00 0.00 C ATOM 147 CG1 VAL A 10 8.096 -6.983 -2.284 1.00 0.00 C ATOM 148 CG2 VAL A 10 9.182 -5.904 -4.255 1.00 0.00 C ATOM 0 H VAL A 10 10.181 -3.893 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 10 7.820 -4.500 -1.969 1.00 0.00 H new ATOM 0 HB VAL A 10 10.159 -6.360 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.298 -7.968 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.085 -7.048 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.127 -6.630 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.391 -6.883 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.205 -5.559 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.947 -5.196 -4.574 1.00 0.00 H new ATOM 158 N VAL A 11 8.925 -4.680 0.306 1.00 0.00 N ATOM 159 CA VAL A 11 9.605 -4.549 1.636 1.00 0.00 C ATOM 160 C VAL A 11 9.328 -5.749 2.548 1.00 0.00 C ATOM 161 O VAL A 11 9.785 -5.791 3.671 1.00 0.00 O ATOM 162 CB VAL A 11 9.080 -3.261 2.307 1.00 0.00 C ATOM 163 CG1 VAL A 11 7.549 -3.276 2.319 1.00 0.00 C ATOM 164 CG2 VAL A 11 9.598 -3.178 3.745 1.00 0.00 C ATOM 0 H VAL A 11 7.934 -4.920 0.339 1.00 0.00 H new ATOM 0 HA VAL A 11 10.683 -4.509 1.478 1.00 0.00 H new ATOM 0 HB VAL A 11 9.432 -2.396 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.180 -2.366 2.793 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.178 -3.328 1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.198 -4.144 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.225 -2.268 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.251 -4.045 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.688 -3.163 3.739 1.00 0.00 H new ATOM 174 N ALA A 12 8.594 -6.706 2.057 1.00 0.00 N ATOM 175 CA ALA A 12 8.302 -7.888 2.910 1.00 0.00 C ATOM 176 C ALA A 12 7.389 -8.878 2.195 1.00 0.00 C ATOM 177 O ALA A 12 6.646 -8.510 1.304 1.00 0.00 O ATOM 178 CB ALA A 12 7.599 -7.397 4.184 1.00 0.00 C ATOM 0 H ALA A 12 8.190 -6.723 1.120 1.00 0.00 H new ATOM 0 HA ALA A 12 9.239 -8.395 3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.374 -8.248 4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.251 -6.703 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.672 -6.890 3.916 1.00 0.00 H new ATOM 184 N ALA A 13 7.460 -10.122 2.602 1.00 0.00 N ATOM 185 CA ALA A 13 6.604 -11.150 1.958 1.00 0.00 C ATOM 186 C ALA A 13 6.388 -12.345 2.881 1.00 0.00 C ATOM 187 O ALA A 13 7.271 -13.162 3.063 1.00 0.00 O ATOM 188 CB ALA A 13 7.304 -11.633 0.677 1.00 0.00 C ATOM 0 H ALA A 13 8.070 -10.462 3.346 1.00 0.00 H new ATOM 0 HA ALA A 13 5.633 -10.708 1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.689 -12.390 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.447 -10.790 0.000 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.273 -12.062 0.932 1.00 0.00 H new ATOM 194 N THR A 14 5.212 -12.428 3.451 1.00 0.00 N ATOM 195 CA THR A 14 4.923 -13.562 4.360 1.00 0.00 C ATOM 196 C THR A 14 4.293 -14.724 3.569 1.00 0.00 C ATOM 197 O THR A 14 3.785 -14.524 2.483 1.00 0.00 O ATOM 198 CB THR A 14 3.929 -13.080 5.430 1.00 0.00 C ATOM 199 OG1 THR A 14 3.402 -11.867 4.929 1.00 0.00 O ATOM 200 CG2 THR A 14 4.664 -12.676 6.720 1.00 0.00 C ATOM 0 H THR A 14 4.450 -11.762 3.324 1.00 0.00 H new ATOM 0 HA THR A 14 5.846 -13.910 4.823 1.00 0.00 H new ATOM 0 HB THR A 14 3.199 -13.863 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.754 -11.503 5.568 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.939 -12.339 7.461 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.211 -13.534 7.111 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.363 -11.869 6.503 1.00 0.00 H new ATOM 208 N PRO A 15 4.334 -15.930 4.128 1.00 0.00 N ATOM 209 CA PRO A 15 3.761 -17.092 3.453 1.00 0.00 C ATOM 210 C PRO A 15 2.280 -16.896 3.128 1.00 0.00 C ATOM 211 O PRO A 15 1.654 -17.765 2.555 1.00 0.00 O ATOM 212 CB PRO A 15 3.915 -18.255 4.459 1.00 0.00 C ATOM 213 CG PRO A 15 4.611 -17.682 5.731 1.00 0.00 C ATOM 214 CD PRO A 15 4.934 -16.206 5.449 1.00 0.00 C ATOM 0 HA PRO A 15 4.264 -17.272 2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.942 -18.676 4.711 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.509 -19.060 4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.959 -17.774 6.600 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.521 -18.239 5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.514 -15.556 6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.010 -16.032 5.438 1.00 0.00 H new ATOM 222 N THR A 16 1.743 -15.760 3.492 1.00 0.00 N ATOM 223 CA THR A 16 0.305 -15.517 3.200 1.00 0.00 C ATOM 224 C THR A 16 0.009 -14.031 3.021 1.00 0.00 C ATOM 225 O THR A 16 -1.087 -13.583 3.293 1.00 0.00 O ATOM 226 CB THR A 16 -0.521 -16.036 4.385 1.00 0.00 C ATOM 227 OG1 THR A 16 0.075 -15.465 5.532 1.00 0.00 O ATOM 228 CG2 THR A 16 -0.336 -17.550 4.567 1.00 0.00 C ATOM 0 H THR A 16 2.231 -15.003 3.971 1.00 0.00 H new ATOM 0 HA THR A 16 0.050 -16.031 2.274 1.00 0.00 H new ATOM 0 HB THR A 16 -1.574 -15.799 4.231 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.410 -15.757 6.332 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.933 -17.890 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.659 -18.067 3.664 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.716 -17.768 4.753 1.00 0.00 H new ATOM 236 N SER A 17 0.982 -13.289 2.567 1.00 0.00 N ATOM 237 CA SER A 17 0.743 -11.834 2.377 1.00 0.00 C ATOM 238 C SER A 17 1.972 -11.130 1.806 1.00 0.00 C ATOM 239 O SER A 17 3.093 -11.547 2.028 1.00 0.00 O ATOM 240 CB SER A 17 0.418 -11.211 3.747 1.00 0.00 C ATOM 241 OG SER A 17 -0.910 -10.725 3.605 1.00 0.00 O ATOM 0 H SER A 17 1.915 -13.621 2.324 1.00 0.00 H new ATOM 0 HA SER A 17 -0.081 -11.711 1.674 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.488 -11.949 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.112 -10.407 3.993 1.00 0.00 H new ATOM 0 HG SER A 17 -0.969 -10.163 2.804 1.00 0.00 H new ATOM 247 N LEU A 18 1.724 -10.069 1.075 1.00 0.00 N ATOM 248 CA LEU A 18 2.839 -9.297 0.464 1.00 0.00 C ATOM 249 C LEU A 18 2.668 -7.809 0.762 1.00 0.00 C ATOM 250 O LEU A 18 1.645 -7.230 0.451 1.00 0.00 O ATOM 251 CB LEU A 18 2.796 -9.505 -1.066 1.00 0.00 C ATOM 252 CG LEU A 18 4.134 -10.078 -1.561 1.00 0.00 C ATOM 253 CD1 LEU A 18 3.965 -10.557 -3.006 1.00 0.00 C ATOM 254 CD2 LEU A 18 5.203 -8.983 -1.525 1.00 0.00 C ATOM 0 H LEU A 18 0.791 -9.707 0.878 1.00 0.00 H new ATOM 0 HA LEU A 18 3.789 -9.639 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.983 -10.183 -1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.591 -8.557 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 18 4.436 -10.907 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.909 -10.965 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.197 -11.329 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.669 -9.718 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.152 -9.389 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.901 -8.158 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.319 -8.621 -0.503 1.00 0.00 H new ATOM 266 N LEU A 19 3.675 -7.217 1.360 1.00 0.00 N ATOM 267 CA LEU A 19 3.587 -5.763 1.688 1.00 0.00 C ATOM 268 C LEU A 19 4.420 -4.939 0.718 1.00 0.00 C ATOM 269 O LEU A 19 5.634 -5.077 0.670 1.00 0.00 O ATOM 270 CB LEU A 19 4.141 -5.553 3.108 1.00 0.00 C ATOM 271 CG LEU A 19 3.481 -4.316 3.732 1.00 0.00 C ATOM 272 CD1 LEU A 19 2.254 -4.751 4.533 1.00 0.00 C ATOM 273 CD2 LEU A 19 4.471 -3.630 4.677 1.00 0.00 C ATOM 0 H LEU A 19 4.545 -7.675 1.632 1.00 0.00 H new ATOM 0 HA LEU A 19 2.547 -5.445 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.945 -6.433 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.223 -5.424 3.073 1.00 0.00 H new ATOM 0 HG LEU A 19 3.186 -3.625 2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.781 -3.876 4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.545 -5.249 3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.559 -5.439 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.002 -2.751 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.761 -4.324 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.356 -3.326 4.118 1.00 0.00 H new ATOM 285 N ILE A 20 3.754 -4.087 -0.038 1.00 0.00 N ATOM 286 CA ILE A 20 4.495 -3.245 -1.010 1.00 0.00 C ATOM 287 C ILE A 20 4.562 -1.805 -0.545 1.00 0.00 C ATOM 288 O ILE A 20 3.946 -1.427 0.437 1.00 0.00 O ATOM 289 CB ILE A 20 3.786 -3.298 -2.388 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.405 -2.616 -2.343 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.589 -4.775 -2.777 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.800 -2.620 -3.759 1.00 0.00 C ATOM 0 H ILE A 20 2.744 -3.948 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 20 5.510 -3.634 -1.091 1.00 0.00 H new ATOM 0 HB ILE A 20 4.405 -2.771 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.747 -3.142 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.501 -1.594 -1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.091 -4.833 -3.745 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.559 -5.268 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.977 -5.271 -2.024 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.822 -2.139 -3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.457 -2.076 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.692 -3.648 -4.106 1.00 0.00 H new ATOM 304 N SER A 21 5.303 -1.031 -1.269 1.00 0.00 N ATOM 305 CA SER A 21 5.447 0.390 -0.918 1.00 0.00 C ATOM 306 C SER A 21 5.984 1.146 -2.109 1.00 0.00 C ATOM 307 O SER A 21 6.858 0.654 -2.801 1.00 0.00 O ATOM 308 CB SER A 21 6.437 0.506 0.249 1.00 0.00 C ATOM 309 OG SER A 21 7.040 -0.780 0.319 1.00 0.00 O ATOM 0 H SER A 21 5.819 -1.328 -2.097 1.00 0.00 H new ATOM 0 HA SER A 21 4.481 0.807 -0.632 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.178 1.285 0.068 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.929 0.760 1.179 1.00 0.00 H new ATOM 0 HG SER A 21 7.696 -0.794 1.047 1.00 0.00 H new ATOM 315 N TRP A 22 5.457 2.326 -2.347 1.00 0.00 N ATOM 316 CA TRP A 22 5.956 3.101 -3.513 1.00 0.00 C ATOM 317 C TRP A 22 6.092 4.597 -3.224 1.00 0.00 C ATOM 318 O TRP A 22 6.270 5.002 -2.093 1.00 0.00 O ATOM 319 CB TRP A 22 5.008 2.862 -4.717 1.00 0.00 C ATOM 320 CG TRP A 22 3.634 3.501 -4.494 1.00 0.00 C ATOM 321 CD1 TRP A 22 3.256 4.630 -5.061 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.668 2.996 -3.750 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.998 4.804 -4.628 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.547 3.809 -3.787 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.633 1.828 -3.003 1.00 0.00 C ATOM 326 CZ2 TRP A 22 0.414 3.467 -3.082 1.00 0.00 C ATOM 327 CZ3 TRP A 22 1.493 1.489 -2.299 1.00 0.00 C ATOM 328 CH2 TRP A 22 0.385 2.309 -2.340 1.00 0.00 C ATOM 0 H TRP A 22 4.722 2.771 -1.796 1.00 0.00 H new ATOM 0 HA TRP A 22 6.961 2.747 -3.744 1.00 0.00 H new ATOM 0 HB2 TRP A 22 5.458 3.273 -5.621 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.889 1.791 -4.879 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.827 5.267 -5.721 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.425 5.603 -4.898 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.498 1.182 -2.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.454 4.110 -3.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.470 0.580 -1.716 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.505 2.042 -1.790 1.00 0.00 H new ATOM 339 N ASP A 23 6.006 5.387 -4.263 1.00 0.00 N ATOM 340 CA ASP A 23 6.134 6.864 -4.089 1.00 0.00 C ATOM 341 C ASP A 23 4.770 7.571 -4.062 1.00 0.00 C ATOM 342 O ASP A 23 3.741 6.945 -4.102 1.00 0.00 O ATOM 343 CB ASP A 23 6.943 7.379 -5.299 1.00 0.00 C ATOM 344 CG ASP A 23 7.165 8.887 -5.179 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.725 9.274 -4.167 1.00 0.00 O ATOM 346 OD2 ASP A 23 6.761 9.569 -6.107 1.00 0.00 O ATOM 0 H ASP A 23 5.853 5.074 -5.222 1.00 0.00 H new ATOM 0 HA ASP A 23 6.619 7.075 -3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.903 6.865 -5.350 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.412 7.154 -6.224 1.00 0.00 H new ATOM 351 N ALA A 24 4.800 8.873 -3.968 1.00 0.00 N ATOM 352 CA ALA A 24 3.532 9.630 -3.940 1.00 0.00 C ATOM 353 C ALA A 24 3.803 11.141 -4.216 1.00 0.00 C ATOM 354 O ALA A 24 4.528 11.766 -3.467 1.00 0.00 O ATOM 355 CB ALA A 24 2.937 9.494 -2.532 1.00 0.00 C ATOM 0 H ALA A 24 5.648 9.437 -3.910 1.00 0.00 H new ATOM 0 HA ALA A 24 2.853 9.243 -4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.997 10.044 -2.479 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.754 8.442 -2.314 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.636 9.900 -1.801 1.00 0.00 H new ATOM 361 N PRO A 25 3.217 11.721 -5.288 1.00 0.00 N ATOM 362 CA PRO A 25 3.446 13.138 -5.583 1.00 0.00 C ATOM 363 C PRO A 25 3.018 14.034 -4.423 1.00 0.00 C ATOM 364 O PRO A 25 2.355 13.591 -3.504 1.00 0.00 O ATOM 365 CB PRO A 25 2.576 13.439 -6.823 1.00 0.00 C ATOM 366 CG PRO A 25 1.903 12.102 -7.256 1.00 0.00 C ATOM 367 CD PRO A 25 2.318 11.029 -6.237 1.00 0.00 C ATOM 0 HA PRO A 25 4.505 13.334 -5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.822 14.190 -6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.186 13.841 -7.632 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.819 12.209 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 25 2.219 11.821 -8.260 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.449 10.615 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.826 10.198 -6.726 1.00 0.00 H new ATOM 375 N ALA A 26 3.408 15.282 -4.488 1.00 0.00 N ATOM 376 CA ALA A 26 3.039 16.227 -3.402 1.00 0.00 C ATOM 377 C ALA A 26 1.801 17.034 -3.774 1.00 0.00 C ATOM 378 O ALA A 26 1.596 18.123 -3.271 1.00 0.00 O ATOM 379 CB ALA A 26 4.211 17.196 -3.191 1.00 0.00 C ATOM 0 H ALA A 26 3.963 15.682 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 26 2.824 15.660 -2.497 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.962 17.900 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.102 16.634 -2.912 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.402 17.743 -4.114 1.00 0.00 H new ATOM 385 N VAL A 27 0.999 16.488 -4.651 1.00 0.00 N ATOM 386 CA VAL A 27 -0.234 17.208 -5.071 1.00 0.00 C ATOM 387 C VAL A 27 -1.455 16.630 -4.366 1.00 0.00 C ATOM 388 O VAL A 27 -1.363 15.635 -3.674 1.00 0.00 O ATOM 389 CB VAL A 27 -0.409 17.025 -6.595 1.00 0.00 C ATOM 390 CG1 VAL A 27 -1.618 17.833 -7.071 1.00 0.00 C ATOM 391 CG2 VAL A 27 0.843 17.534 -7.319 1.00 0.00 C ATOM 0 H VAL A 27 1.145 15.580 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.141 18.263 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.560 15.968 -6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.741 17.704 -8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.514 17.483 -6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.461 18.888 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.719 17.405 -8.394 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.989 18.591 -7.095 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.712 16.969 -6.983 1.00 0.00 H new ATOM 401 N THR A 28 -2.576 17.263 -4.552 1.00 0.00 N ATOM 402 CA THR A 28 -3.810 16.765 -3.903 1.00 0.00 C ATOM 403 C THR A 28 -4.314 15.517 -4.612 1.00 0.00 C ATOM 404 O THR A 28 -5.246 15.574 -5.391 1.00 0.00 O ATOM 405 CB THR A 28 -4.878 17.856 -3.995 1.00 0.00 C ATOM 406 OG1 THR A 28 -4.425 18.897 -3.152 1.00 0.00 O ATOM 407 CG2 THR A 28 -6.194 17.388 -3.358 1.00 0.00 C ATOM 0 H THR A 28 -2.689 18.100 -5.124 1.00 0.00 H new ATOM 0 HA THR A 28 -3.599 16.518 -2.863 1.00 0.00 H new ATOM 0 HB THR A 28 -5.035 18.131 -5.038 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.070 19.635 -3.168 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.938 18.181 -3.436 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.554 16.500 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.025 17.150 -2.308 1.00 0.00 H new ATOM 415 N VAL A 29 -3.689 14.409 -4.331 1.00 0.00 N ATOM 416 CA VAL A 29 -4.114 13.146 -4.979 1.00 0.00 C ATOM 417 C VAL A 29 -5.350 12.558 -4.302 1.00 0.00 C ATOM 418 O VAL A 29 -5.304 12.163 -3.155 1.00 0.00 O ATOM 419 CB VAL A 29 -2.965 12.136 -4.861 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.121 11.077 -5.949 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.629 12.862 -5.051 1.00 0.00 C ATOM 0 H VAL A 29 -2.906 14.327 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.360 13.354 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.987 11.665 -3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.308 10.355 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.075 10.565 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.091 11.554 -6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.811 12.146 -4.968 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.605 13.328 -6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.520 13.629 -4.284 1.00 0.00 H new ATOM 431 N ARG A 30 -6.436 12.510 -5.031 1.00 0.00 N ATOM 432 CA ARG A 30 -7.675 11.957 -4.455 1.00 0.00 C ATOM 433 C ARG A 30 -7.435 10.545 -3.943 1.00 0.00 C ATOM 434 O ARG A 30 -7.584 10.280 -2.766 1.00 0.00 O ATOM 435 CB ARG A 30 -8.739 11.916 -5.559 1.00 0.00 C ATOM 436 CG ARG A 30 -10.124 11.909 -4.920 1.00 0.00 C ATOM 437 CD ARG A 30 -10.569 13.348 -4.648 1.00 0.00 C ATOM 438 NE ARG A 30 -11.512 13.351 -3.498 1.00 0.00 N ATOM 439 CZ ARG A 30 -11.076 13.687 -2.315 1.00 0.00 C ATOM 440 NH1 ARG A 30 -10.041 13.061 -1.824 1.00 0.00 N ATOM 441 NH2 ARG A 30 -11.688 14.637 -1.666 1.00 0.00 N ATOM 0 H ARG A 30 -6.508 12.831 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.003 12.580 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.633 12.780 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.606 11.028 -6.176 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.838 11.415 -5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.104 11.341 -3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.705 13.975 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.051 13.767 -5.532 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.490 13.093 -3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.588 12.323 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.685 13.309 -0.901 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.493 15.104 -2.084 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.362 14.914 -0.740 1.00 0.00 H new ATOM 455 N TYR A 31 -7.068 9.655 -4.830 1.00 0.00 N ATOM 456 CA TYR A 31 -6.819 8.266 -4.380 1.00 0.00 C ATOM 457 C TYR A 31 -5.994 7.476 -5.386 1.00 0.00 C ATOM 458 O TYR A 31 -5.772 7.906 -6.510 1.00 0.00 O ATOM 459 CB TYR A 31 -8.164 7.537 -4.165 1.00 0.00 C ATOM 460 CG TYR A 31 -9.234 8.048 -5.143 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.026 8.007 -6.508 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.449 8.511 -4.669 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.015 8.420 -7.381 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.433 8.922 -5.543 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.224 8.878 -6.905 1.00 0.00 C ATOM 466 OH TYR A 31 -12.214 9.279 -7.780 1.00 0.00 O ATOM 0 H TYR A 31 -6.934 9.831 -5.826 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.258 8.326 -3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.025 6.464 -4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.503 7.687 -3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.084 7.650 -6.896 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.628 8.551 -3.605 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -9.838 8.383 -8.446 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -12.376 9.281 -5.157 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.000 9.571 -7.273 1.00 0.00 H new ATOM 476 N TYR A 32 -5.561 6.325 -4.948 1.00 0.00 N ATOM 477 CA TYR A 32 -4.744 5.444 -5.812 1.00 0.00 C ATOM 478 C TYR A 32 -5.488 4.136 -6.075 1.00 0.00 C ATOM 479 O TYR A 32 -6.366 3.764 -5.320 1.00 0.00 O ATOM 480 CB TYR A 32 -3.447 5.123 -5.051 1.00 0.00 C ATOM 481 CG TYR A 32 -2.256 5.828 -5.714 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.045 7.179 -5.524 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.356 5.113 -6.477 1.00 0.00 C ATOM 484 CE1 TYR A 32 -0.947 7.803 -6.086 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.260 5.741 -7.039 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.049 7.090 -6.845 1.00 0.00 C ATOM 487 OH TYR A 32 1.049 7.714 -7.396 1.00 0.00 O ATOM 0 H TYR A 32 -5.745 5.958 -4.014 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.539 5.936 -6.763 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.537 5.443 -4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.281 4.046 -5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.743 7.753 -4.932 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.509 4.056 -6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.793 8.860 -5.928 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.437 5.170 -7.635 1.00 0.00 H new ATOM 0 HH TYR A 32 1.787 7.073 -7.470 1.00 0.00 H new ATOM 497 N ARG A 33 -5.124 3.460 -7.134 1.00 0.00 N ATOM 498 CA ARG A 33 -5.807 2.172 -7.454 1.00 0.00 C ATOM 499 C ARG A 33 -4.794 1.142 -7.914 1.00 0.00 C ATOM 500 O ARG A 33 -4.210 1.271 -8.973 1.00 0.00 O ATOM 501 CB ARG A 33 -6.826 2.406 -8.584 1.00 0.00 C ATOM 502 CG ARG A 33 -7.247 3.880 -8.599 1.00 0.00 C ATOM 503 CD ARG A 33 -8.355 4.073 -9.633 1.00 0.00 C ATOM 504 NE ARG A 33 -9.666 4.131 -8.929 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.658 3.401 -9.362 1.00 0.00 C ATOM 506 NH1 ARG A 33 -10.804 2.191 -8.893 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.471 3.905 -10.250 1.00 0.00 N ATOM 0 H ARG A 33 -4.391 3.741 -7.785 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.311 1.807 -6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.389 2.132 -9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.699 1.769 -8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.597 4.181 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.393 4.513 -8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.189 4.991 -10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.348 3.253 -10.351 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.788 4.735 -8.116 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.149 1.830 -8.200 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.573 1.607 -9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.326 4.854 -10.594 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.252 3.350 -10.600 1.00 0.00 H new ATOM 521 N ILE A 34 -4.607 0.130 -7.107 1.00 0.00 N ATOM 522 CA ILE A 34 -3.632 -0.929 -7.472 1.00 0.00 C ATOM 523 C ILE A 34 -4.324 -2.179 -8.004 1.00 0.00 C ATOM 524 O ILE A 34 -5.219 -2.714 -7.379 1.00 0.00 O ATOM 525 CB ILE A 34 -2.844 -1.307 -6.215 1.00 0.00 C ATOM 526 CG1 ILE A 34 -1.890 -0.178 -5.843 1.00 0.00 C ATOM 527 CG2 ILE A 34 -2.010 -2.567 -6.518 1.00 0.00 C ATOM 528 CD1 ILE A 34 -1.776 -0.094 -4.322 1.00 0.00 C ATOM 0 H ILE A 34 -5.086 -0.005 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.981 -0.543 -8.256 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.537 -1.488 -5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.909 -0.356 -6.283 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.253 0.768 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.442 -2.849 -5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.674 -3.384 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.323 -2.360 -7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.094 0.713 -4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.759 0.103 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.393 -1.038 -3.933 1.00 0.00 H new ATOM 540 N THR A 35 -3.893 -2.610 -9.162 1.00 0.00 N ATOM 541 CA THR A 35 -4.487 -3.824 -9.786 1.00 0.00 C ATOM 542 C THR A 35 -3.376 -4.769 -10.175 1.00 0.00 C ATOM 543 O THR A 35 -2.363 -4.339 -10.695 1.00 0.00 O ATOM 544 CB THR A 35 -5.248 -3.417 -11.050 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.363 -3.680 -12.117 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.472 -1.899 -11.095 1.00 0.00 C ATOM 0 H THR A 35 -3.150 -2.168 -9.703 1.00 0.00 H new ATOM 0 HA THR A 35 -5.164 -4.307 -9.081 1.00 0.00 H new ATOM 0 HB THR A 35 -6.203 -3.941 -11.089 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.851 -2.871 -12.324 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.015 -1.638 -12.004 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.052 -1.591 -10.225 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.509 -1.389 -11.089 1.00 0.00 H new ATOM 554 N TYR A 36 -3.561 -6.041 -9.927 1.00 0.00 N ATOM 555 CA TYR A 36 -2.487 -6.994 -10.297 1.00 0.00 C ATOM 556 C TYR A 36 -3.039 -8.331 -10.752 1.00 0.00 C ATOM 557 O TYR A 36 -4.138 -8.729 -10.389 1.00 0.00 O ATOM 558 CB TYR A 36 -1.595 -7.215 -9.065 1.00 0.00 C ATOM 559 CG TYR A 36 -2.477 -7.462 -7.840 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.190 -6.427 -7.264 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.589 -8.727 -7.303 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.002 -6.659 -6.173 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.400 -8.954 -6.213 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.112 -7.924 -5.640 1.00 0.00 C ATOM 565 OH TYR A 36 -4.922 -8.157 -4.548 1.00 0.00 O ATOM 0 H TYR A 36 -4.390 -6.448 -9.495 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.924 -6.570 -11.129 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.934 -8.066 -9.229 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.960 -6.344 -8.901 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.111 -5.430 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.037 -9.546 -7.740 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.556 -5.842 -5.734 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.478 -9.950 -5.803 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.880 -9.106 -4.306 1.00 0.00 H new ATOM 575 N GLY A 37 -2.246 -8.999 -11.548 1.00 0.00 N ATOM 576 CA GLY A 37 -2.649 -10.326 -12.075 1.00 0.00 C ATOM 577 C GLY A 37 -1.500 -10.915 -12.897 1.00 0.00 C ATOM 578 O GLY A 37 -0.845 -10.209 -13.643 1.00 0.00 O ATOM 0 H GLY A 37 -1.329 -8.675 -11.855 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.903 -10.995 -11.253 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.541 -10.229 -12.694 1.00 0.00 H new ATOM 582 N GLU A 38 -1.262 -12.187 -12.740 1.00 0.00 N ATOM 583 CA GLU A 38 -0.173 -12.805 -13.502 1.00 0.00 C ATOM 584 C GLU A 38 -0.470 -12.754 -14.997 1.00 0.00 C ATOM 585 O GLU A 38 -1.608 -12.847 -15.413 1.00 0.00 O ATOM 586 CB GLU A 38 -0.044 -14.267 -13.053 1.00 0.00 C ATOM 587 CG GLU A 38 -1.420 -14.932 -13.073 1.00 0.00 C ATOM 588 CD GLU A 38 -2.011 -14.921 -11.662 1.00 0.00 C ATOM 589 OE1 GLU A 38 -1.625 -15.798 -10.907 1.00 0.00 O ATOM 590 OE2 GLU A 38 -2.814 -14.035 -11.418 1.00 0.00 O ATOM 0 H GLU A 38 -1.777 -12.811 -12.119 1.00 0.00 H new ATOM 0 HA GLU A 38 0.755 -12.264 -13.319 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.639 -14.802 -13.713 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.379 -14.314 -12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.081 -14.404 -13.760 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.336 -15.956 -13.436 1.00 0.00 H new ATOM 597 N THR A 39 0.556 -12.594 -15.780 1.00 0.00 N ATOM 598 CA THR A 39 0.348 -12.533 -17.246 1.00 0.00 C ATOM 599 C THR A 39 0.069 -13.916 -17.822 1.00 0.00 C ATOM 600 O THR A 39 0.378 -14.922 -17.213 1.00 0.00 O ATOM 601 CB THR A 39 1.620 -11.980 -17.887 1.00 0.00 C ATOM 602 OG1 THR A 39 2.042 -10.932 -17.035 1.00 0.00 O ATOM 603 CG2 THR A 39 1.303 -11.290 -19.222 1.00 0.00 C ATOM 0 H THR A 39 1.523 -12.503 -15.469 1.00 0.00 H new ATOM 0 HA THR A 39 -0.511 -11.895 -17.455 1.00 0.00 H new ATOM 0 HB THR A 39 2.340 -12.785 -18.035 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.259 -10.447 -16.701 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.224 -10.904 -19.660 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.850 -12.009 -19.905 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.610 -10.466 -19.050 1.00 0.00 H new ATOM 611 N GLY A 40 -0.516 -13.942 -18.991 1.00 0.00 N ATOM 612 CA GLY A 40 -0.826 -15.251 -19.628 1.00 0.00 C ATOM 613 C GLY A 40 -2.180 -15.775 -19.144 1.00 0.00 C ATOM 614 O GLY A 40 -2.978 -16.251 -19.927 1.00 0.00 O ATOM 0 H GLY A 40 -0.790 -13.119 -19.527 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.839 -15.141 -20.712 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.044 -15.972 -19.390 1.00 0.00 H new ATOM 618 N GLY A 41 -2.409 -15.675 -17.865 1.00 0.00 N ATOM 619 CA GLY A 41 -3.706 -16.164 -17.317 1.00 0.00 C ATOM 620 C GLY A 41 -4.827 -15.168 -17.618 1.00 0.00 C ATOM 621 O GLY A 41 -4.745 -14.011 -17.262 1.00 0.00 O ATOM 0 H GLY A 41 -1.763 -15.281 -17.181 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.948 -17.134 -17.751 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.620 -16.309 -16.240 1.00 0.00 H new ATOM 625 N ASN A 42 -5.854 -15.640 -18.270 1.00 0.00 N ATOM 626 CA ASN A 42 -6.983 -14.739 -18.601 1.00 0.00 C ATOM 627 C ASN A 42 -7.837 -14.475 -17.365 1.00 0.00 C ATOM 628 O ASN A 42 -8.971 -14.049 -17.465 1.00 0.00 O ATOM 629 CB ASN A 42 -7.851 -15.430 -19.669 1.00 0.00 C ATOM 630 CG ASN A 42 -7.706 -14.688 -20.998 1.00 0.00 C ATOM 631 OD1 ASN A 42 -8.053 -13.531 -21.118 1.00 0.00 O ATOM 632 ND2 ASN A 42 -7.194 -15.317 -22.022 1.00 0.00 N ATOM 0 H ASN A 42 -5.956 -16.605 -18.584 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.594 -13.789 -18.967 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.545 -16.470 -19.785 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.895 -15.438 -19.356 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.088 -14.836 -22.915 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.900 -16.289 -21.928 1.00 0.00 H new ATOM 639 N SER A 43 -7.261 -14.728 -16.216 1.00 0.00 N ATOM 640 CA SER A 43 -7.998 -14.507 -14.945 1.00 0.00 C ATOM 641 C SER A 43 -7.133 -13.721 -13.942 1.00 0.00 C ATOM 642 O SER A 43 -6.526 -14.304 -13.065 1.00 0.00 O ATOM 643 CB SER A 43 -8.300 -15.888 -14.338 1.00 0.00 C ATOM 644 OG SER A 43 -9.210 -15.615 -13.284 1.00 0.00 O ATOM 0 H SER A 43 -6.309 -15.079 -16.109 1.00 0.00 H new ATOM 0 HA SER A 43 -8.908 -13.941 -15.146 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.736 -16.561 -15.076 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.394 -16.367 -13.967 1.00 0.00 H new ATOM 0 HG SER A 43 -9.458 -16.453 -12.840 1.00 0.00 H new ATOM 650 N PRO A 44 -7.086 -12.397 -14.087 1.00 0.00 N ATOM 651 CA PRO A 44 -6.290 -11.569 -13.185 1.00 0.00 C ATOM 652 C PRO A 44 -6.769 -11.701 -11.745 1.00 0.00 C ATOM 653 O PRO A 44 -7.930 -11.953 -11.494 1.00 0.00 O ATOM 654 CB PRO A 44 -6.499 -10.121 -13.680 1.00 0.00 C ATOM 655 CG PRO A 44 -7.372 -10.196 -14.970 1.00 0.00 C ATOM 656 CD PRO A 44 -7.812 -11.659 -15.137 1.00 0.00 C ATOM 0 HA PRO A 44 -5.242 -11.868 -13.193 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.993 -9.521 -12.916 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.542 -9.644 -13.891 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.239 -9.541 -14.886 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.804 -9.864 -15.839 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.891 -11.763 -15.019 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.562 -12.036 -16.129 1.00 0.00 H new ATOM 664 N VAL A 45 -5.861 -11.529 -10.821 1.00 0.00 N ATOM 665 CA VAL A 45 -6.244 -11.642 -9.395 1.00 0.00 C ATOM 666 C VAL A 45 -7.352 -10.681 -9.043 1.00 0.00 C ATOM 667 O VAL A 45 -8.507 -11.055 -8.991 1.00 0.00 O ATOM 668 CB VAL A 45 -5.028 -11.315 -8.523 1.00 0.00 C ATOM 669 CG1 VAL A 45 -5.453 -11.332 -7.052 1.00 0.00 C ATOM 670 CG2 VAL A 45 -3.947 -12.369 -8.748 1.00 0.00 C ATOM 0 H VAL A 45 -4.879 -11.317 -10.996 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.593 -12.660 -9.219 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.638 -10.332 -8.785 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.594 -11.100 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.233 -10.588 -6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.835 -12.320 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.080 -12.139 -8.129 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.335 -13.351 -8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.653 -12.370 -9.798 1.00 0.00 H new ATOM 680 N GLN A 46 -6.993 -9.456 -8.803 1.00 0.00 N ATOM 681 CA GLN A 46 -8.040 -8.461 -8.447 1.00 0.00 C ATOM 682 C GLN A 46 -7.479 -7.047 -8.402 1.00 0.00 C ATOM 683 O GLN A 46 -6.533 -6.724 -9.091 1.00 0.00 O ATOM 684 CB GLN A 46 -8.580 -8.809 -7.042 1.00 0.00 C ATOM 685 CG GLN A 46 -10.046 -8.377 -6.935 1.00 0.00 C ATOM 686 CD GLN A 46 -10.947 -9.551 -7.324 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.886 -10.615 -6.740 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.794 -9.402 -8.303 1.00 0.00 N ATOM 0 H GLN A 46 -6.037 -9.102 -8.836 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.823 -8.499 -9.205 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.492 -9.880 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.986 -8.308 -6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.269 -8.054 -5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.235 -7.526 -7.589 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.850 -8.512 -8.797 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.401 -10.176 -8.575 1.00 0.00 H new ATOM 697 N GLU A 47 -8.087 -6.230 -7.582 1.00 0.00 N ATOM 698 CA GLU A 47 -7.625 -4.831 -7.461 1.00 0.00 C ATOM 699 C GLU A 47 -8.314 -4.144 -6.287 1.00 0.00 C ATOM 700 O GLU A 47 -9.333 -4.608 -5.812 1.00 0.00 O ATOM 701 CB GLU A 47 -8.001 -4.091 -8.752 1.00 0.00 C ATOM 702 CG GLU A 47 -9.513 -3.853 -8.779 1.00 0.00 C ATOM 703 CD GLU A 47 -10.004 -3.920 -10.225 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.631 -3.027 -10.968 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.725 -4.863 -10.508 1.00 0.00 O ATOM 0 H GLU A 47 -8.883 -6.478 -6.994 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.547 -4.816 -7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.471 -3.140 -8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.698 -4.675 -9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.023 -4.603 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.748 -2.881 -8.347 1.00 0.00 H new ATOM 712 N PHE A 48 -7.753 -3.055 -5.833 1.00 0.00 N ATOM 713 CA PHE A 48 -8.383 -2.347 -4.691 1.00 0.00 C ATOM 714 C PHE A 48 -7.930 -0.893 -4.631 1.00 0.00 C ATOM 715 O PHE A 48 -6.881 -0.546 -5.140 1.00 0.00 O ATOM 716 CB PHE A 48 -7.981 -3.056 -3.390 1.00 0.00 C ATOM 717 CG PHE A 48 -6.484 -2.880 -3.149 1.00 0.00 C ATOM 718 CD1 PHE A 48 -5.559 -3.542 -3.941 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.031 -2.073 -2.117 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.207 -3.398 -3.700 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.681 -1.934 -1.881 1.00 0.00 C ATOM 722 CZ PHE A 48 -3.770 -2.596 -2.671 1.00 0.00 C ATOM 0 H PHE A 48 -6.899 -2.633 -6.199 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.465 -2.364 -4.820 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.545 -2.646 -2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.227 -4.116 -3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.897 -4.173 -4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.741 -1.550 -1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.491 -3.916 -4.321 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.337 -1.304 -1.074 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.712 -2.486 -2.484 1.00 0.00 H new ATOM 732 N THR A 49 -8.735 -0.069 -4.007 1.00 0.00 N ATOM 733 CA THR A 49 -8.380 1.370 -3.901 1.00 0.00 C ATOM 734 C THR A 49 -7.823 1.711 -2.526 1.00 0.00 C ATOM 735 O THR A 49 -8.055 1.014 -1.560 1.00 0.00 O ATOM 736 CB THR A 49 -9.649 2.190 -4.124 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.583 1.703 -3.179 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.272 1.864 -5.488 1.00 0.00 C ATOM 0 H THR A 49 -9.618 -0.334 -3.570 1.00 0.00 H new ATOM 0 HA THR A 49 -7.616 1.595 -4.645 1.00 0.00 H new ATOM 0 HB THR A 49 -9.420 3.253 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.426 2.194 -3.270 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.175 2.459 -5.627 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.559 2.097 -6.279 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.526 0.805 -5.528 1.00 0.00 H new ATOM 746 N VAL A 50 -7.089 2.786 -2.474 1.00 0.00 N ATOM 747 CA VAL A 50 -6.495 3.214 -1.190 1.00 0.00 C ATOM 748 C VAL A 50 -5.989 4.679 -1.316 1.00 0.00 C ATOM 749 O VAL A 50 -5.343 5.008 -2.290 1.00 0.00 O ATOM 750 CB VAL A 50 -5.292 2.299 -0.908 1.00 0.00 C ATOM 751 CG1 VAL A 50 -4.210 2.569 -1.956 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.740 2.600 0.487 1.00 0.00 C ATOM 0 H VAL A 50 -6.877 3.385 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.232 3.154 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.600 1.254 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.351 1.925 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.606 2.362 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.901 3.613 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.887 1.952 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.424 3.642 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.516 2.421 1.232 1.00 0.00 H new ATOM 762 N PRO A 51 -6.278 5.548 -0.335 1.00 0.00 N ATOM 763 CA PRO A 51 -5.820 6.932 -0.419 1.00 0.00 C ATOM 764 C PRO A 51 -4.311 7.010 -0.582 1.00 0.00 C ATOM 765 O PRO A 51 -3.568 6.467 0.213 1.00 0.00 O ATOM 766 CB PRO A 51 -6.224 7.576 0.918 1.00 0.00 C ATOM 767 CG PRO A 51 -6.995 6.503 1.738 1.00 0.00 C ATOM 768 CD PRO A 51 -7.039 5.220 0.887 1.00 0.00 C ATOM 0 HA PRO A 51 -6.258 7.435 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.343 7.915 1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.850 8.452 0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.497 6.316 2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.004 6.846 1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.592 4.379 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.065 4.938 0.650 1.00 0.00 H new ATOM 776 N GLY A 52 -3.884 7.685 -1.610 1.00 0.00 N ATOM 777 CA GLY A 52 -2.425 7.812 -1.844 1.00 0.00 C ATOM 778 C GLY A 52 -1.748 8.523 -0.668 1.00 0.00 C ATOM 779 O GLY A 52 -0.553 8.745 -0.685 1.00 0.00 O ATOM 0 H GLY A 52 -4.480 8.151 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.986 6.824 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.246 8.369 -2.764 1.00 0.00 H new ATOM 783 N SER A 53 -2.521 8.863 0.336 1.00 0.00 N ATOM 784 CA SER A 53 -1.918 9.553 1.501 1.00 0.00 C ATOM 785 C SER A 53 -0.850 8.675 2.115 1.00 0.00 C ATOM 786 O SER A 53 0.159 9.151 2.595 1.00 0.00 O ATOM 787 CB SER A 53 -3.014 9.805 2.546 1.00 0.00 C ATOM 788 OG SER A 53 -2.813 11.155 2.939 1.00 0.00 O ATOM 0 H SER A 53 -3.525 8.693 0.393 1.00 0.00 H new ATOM 0 HA SER A 53 -1.475 10.496 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.008 9.656 2.125 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.921 9.125 3.393 1.00 0.00 H new ATOM 0 HG SER A 53 -3.481 11.403 3.612 1.00 0.00 H new ATOM 794 N LYS A 54 -1.099 7.398 2.084 1.00 0.00 N ATOM 795 CA LYS A 54 -0.121 6.440 2.655 1.00 0.00 C ATOM 796 C LYS A 54 0.740 5.849 1.546 1.00 0.00 C ATOM 797 O LYS A 54 0.237 5.225 0.634 1.00 0.00 O ATOM 798 CB LYS A 54 -0.899 5.305 3.339 1.00 0.00 C ATOM 799 CG LYS A 54 -1.887 5.906 4.344 1.00 0.00 C ATOM 800 CD LYS A 54 -1.111 6.657 5.431 1.00 0.00 C ATOM 801 CE LYS A 54 -1.961 6.717 6.700 1.00 0.00 C ATOM 802 NZ LYS A 54 -1.440 7.759 7.625 1.00 0.00 N ATOM 0 H LYS A 54 -1.939 6.977 1.687 1.00 0.00 H new ATOM 0 HA LYS A 54 0.521 6.954 3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.433 4.714 2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.210 4.630 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.572 6.584 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.492 5.118 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.166 6.153 5.635 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.869 7.664 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.997 6.937 6.441 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.955 5.746 7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.028 7.788 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.459 7.533 7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.468 8.686 7.155 1.00 0.00 H new ATOM 816 N SER A 55 2.024 6.054 1.642 1.00 0.00 N ATOM 817 CA SER A 55 2.924 5.507 0.598 1.00 0.00 C ATOM 818 C SER A 55 3.188 4.025 0.823 1.00 0.00 C ATOM 819 O SER A 55 4.166 3.486 0.339 1.00 0.00 O ATOM 820 CB SER A 55 4.256 6.268 0.658 1.00 0.00 C ATOM 821 OG SER A 55 3.882 7.633 0.529 1.00 0.00 O ATOM 0 H SER A 55 2.483 6.572 2.392 1.00 0.00 H new ATOM 0 HA SER A 55 2.449 5.626 -0.376 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.778 6.085 1.597 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.927 5.961 -0.144 1.00 0.00 H new ATOM 0 HG SER A 55 4.684 8.196 0.559 1.00 0.00 H new ATOM 827 N THR A 56 2.312 3.392 1.555 1.00 0.00 N ATOM 828 CA THR A 56 2.493 1.945 1.824 1.00 0.00 C ATOM 829 C THR A 56 1.141 1.238 1.850 1.00 0.00 C ATOM 830 O THR A 56 0.141 1.824 2.214 1.00 0.00 O ATOM 831 CB THR A 56 3.170 1.781 3.193 1.00 0.00 C ATOM 832 OG1 THR A 56 2.258 2.319 4.129 1.00 0.00 O ATOM 833 CG2 THR A 56 4.414 2.683 3.304 1.00 0.00 C ATOM 0 H THR A 56 1.484 3.815 1.975 1.00 0.00 H new ATOM 0 HA THR A 56 3.107 1.506 1.038 1.00 0.00 H new ATOM 0 HB THR A 56 3.441 0.736 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.632 2.243 5.031 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.875 2.548 4.282 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.129 2.415 2.526 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.120 3.725 3.182 1.00 0.00 H new ATOM 841 N ALA A 57 1.126 -0.013 1.461 1.00 0.00 N ATOM 842 CA ALA A 57 -0.164 -0.751 1.464 1.00 0.00 C ATOM 843 C ALA A 57 0.056 -2.254 1.576 1.00 0.00 C ATOM 844 O ALA A 57 1.059 -2.780 1.124 1.00 0.00 O ATOM 845 CB ALA A 57 -0.897 -0.455 0.147 1.00 0.00 C ATOM 0 H ALA A 57 1.939 -0.544 1.147 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.750 -0.426 2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.847 -0.989 0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.081 0.616 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.283 -0.782 -0.692 1.00 0.00 H new ATOM 851 N THR A 58 -0.895 -2.921 2.176 1.00 0.00 N ATOM 852 CA THR A 58 -0.773 -4.387 2.334 1.00 0.00 C ATOM 853 C THR A 58 -1.490 -5.122 1.209 1.00 0.00 C ATOM 854 O THR A 58 -2.369 -4.577 0.567 1.00 0.00 O ATOM 855 CB THR A 58 -1.428 -4.780 3.664 1.00 0.00 C ATOM 856 OG1 THR A 58 -0.710 -4.077 4.655 1.00 0.00 O ATOM 857 CG2 THR A 58 -1.183 -6.266 3.982 1.00 0.00 C ATOM 0 H THR A 58 -1.746 -2.509 2.560 1.00 0.00 H new ATOM 0 HA THR A 58 0.282 -4.658 2.311 1.00 0.00 H new ATOM 0 HB THR A 58 -2.498 -4.574 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.082 -4.284 5.538 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.658 -6.518 4.930 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.606 -6.882 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.111 -6.451 4.053 1.00 0.00 H new ATOM 865 N ILE A 59 -1.102 -6.347 0.990 1.00 0.00 N ATOM 866 CA ILE A 59 -1.746 -7.135 -0.087 1.00 0.00 C ATOM 867 C ILE A 59 -1.801 -8.608 0.305 1.00 0.00 C ATOM 868 O ILE A 59 -0.862 -9.139 0.853 1.00 0.00 O ATOM 869 CB ILE A 59 -0.902 -6.944 -1.373 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.641 -6.021 -2.355 1.00 0.00 C ATOM 871 CG2 ILE A 59 -0.626 -8.318 -2.063 1.00 0.00 C ATOM 872 CD1 ILE A 59 -2.745 -6.795 -3.091 1.00 0.00 C ATOM 0 H ILE A 59 -0.370 -6.831 1.509 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.769 -6.798 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 59 0.050 -6.493 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.076 -5.180 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.936 -5.607 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.032 -8.160 -2.963 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.080 -8.966 -1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.573 -8.788 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.259 -6.127 -3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.302 -7.621 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.459 -7.187 -2.367 1.00 0.00 H new ATOM 884 N SER A 60 -2.905 -9.242 0.014 1.00 0.00 N ATOM 885 CA SER A 60 -3.030 -10.679 0.365 1.00 0.00 C ATOM 886 C SER A 60 -3.926 -11.407 -0.624 1.00 0.00 C ATOM 887 O SER A 60 -4.408 -10.825 -1.575 1.00 0.00 O ATOM 888 CB SER A 60 -3.660 -10.780 1.760 1.00 0.00 C ATOM 889 OG SER A 60 -3.091 -11.956 2.315 1.00 0.00 O ATOM 0 H SER A 60 -3.716 -8.829 -0.447 1.00 0.00 H new ATOM 0 HA SER A 60 -2.041 -11.136 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.431 -9.903 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.746 -10.852 1.702 1.00 0.00 H new ATOM 0 HG SER A 60 -2.285 -11.722 2.822 1.00 0.00 H new ATOM 895 N GLY A 61 -4.133 -12.674 -0.381 1.00 0.00 N ATOM 896 CA GLY A 61 -5.000 -13.467 -1.300 1.00 0.00 C ATOM 897 C GLY A 61 -4.153 -14.221 -2.331 1.00 0.00 C ATOM 898 O GLY A 61 -4.644 -14.592 -3.381 1.00 0.00 O ATOM 0 H GLY A 61 -3.743 -13.191 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.596 -14.175 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.698 -12.804 -1.811 1.00 0.00 H new ATOM 902 N LEU A 62 -2.895 -14.429 -2.010 1.00 0.00 N ATOM 903 CA LEU A 62 -1.997 -15.157 -2.955 1.00 0.00 C ATOM 904 C LEU A 62 -1.288 -16.308 -2.256 1.00 0.00 C ATOM 905 O LEU A 62 -1.674 -16.718 -1.176 1.00 0.00 O ATOM 906 CB LEU A 62 -0.938 -14.174 -3.475 1.00 0.00 C ATOM 907 CG LEU A 62 -0.163 -13.602 -2.285 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.306 -14.016 -2.392 1.00 0.00 C ATOM 909 CD2 LEU A 62 -0.258 -12.080 -2.307 1.00 0.00 C ATOM 0 H LEU A 62 -2.458 -14.127 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.597 -15.559 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.257 -14.681 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.414 -13.370 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.585 -13.984 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.861 -13.610 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.379 -15.104 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.726 -13.629 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.293 -11.669 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.169 -11.702 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.304 -11.780 -2.240 1.00 0.00 H new ATOM 921 N LYS A 63 -0.262 -16.811 -2.886 1.00 0.00 N ATOM 922 CA LYS A 63 0.488 -17.938 -2.276 1.00 0.00 C ATOM 923 C LYS A 63 1.708 -18.368 -3.136 1.00 0.00 C ATOM 924 O LYS A 63 2.773 -18.620 -2.609 1.00 0.00 O ATOM 925 CB LYS A 63 -0.486 -19.164 -2.108 1.00 0.00 C ATOM 926 CG LYS A 63 -0.606 -19.619 -0.615 1.00 0.00 C ATOM 927 CD LYS A 63 0.113 -20.965 -0.418 1.00 0.00 C ATOM 928 CE LYS A 63 1.622 -20.767 -0.575 1.00 0.00 C ATOM 929 NZ LYS A 63 2.092 -19.651 0.292 1.00 0.00 N ATOM 0 H LYS A 63 0.085 -16.491 -3.790 1.00 0.00 H new ATOM 0 HA LYS A 63 0.869 -17.604 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.473 -18.897 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.128 -19.997 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.170 -18.865 0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.656 -19.714 -0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.111 -21.367 0.570 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.247 -21.691 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.145 -21.686 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.861 -20.552 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.057 -19.852 0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.090 -18.765 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.457 -19.556 1.110 1.00 0.00 H new ATOM 943 N PRO A 64 1.525 -18.437 -4.456 1.00 0.00 N ATOM 944 CA PRO A 64 2.603 -18.835 -5.364 1.00 0.00 C ATOM 945 C PRO A 64 3.612 -17.721 -5.609 1.00 0.00 C ATOM 946 O PRO A 64 3.597 -16.697 -4.958 1.00 0.00 O ATOM 947 CB PRO A 64 1.882 -19.164 -6.693 1.00 0.00 C ATOM 948 CG PRO A 64 0.376 -18.800 -6.502 1.00 0.00 C ATOM 949 CD PRO A 64 0.248 -18.153 -5.117 1.00 0.00 C ATOM 0 HA PRO A 64 3.170 -19.666 -4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.314 -18.595 -7.516 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.995 -20.219 -6.941 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.042 -18.115 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.249 -19.690 -6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.072 -17.080 -5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.589 -18.573 -4.559 1.00 0.00 H new ATOM 957 N GLY A 65 4.469 -17.963 -6.560 1.00 0.00 N ATOM 958 CA GLY A 65 5.515 -16.965 -6.915 1.00 0.00 C ATOM 959 C GLY A 65 5.747 -17.020 -8.423 1.00 0.00 C ATOM 960 O GLY A 65 6.647 -17.688 -8.894 1.00 0.00 O ATOM 0 H GLY A 65 4.489 -18.820 -7.113 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.201 -15.965 -6.617 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.441 -17.181 -6.381 1.00 0.00 H new ATOM 964 N VAL A 66 4.920 -16.312 -9.139 1.00 0.00 N ATOM 965 CA VAL A 66 5.043 -16.292 -10.626 1.00 0.00 C ATOM 966 C VAL A 66 5.042 -14.860 -11.167 1.00 0.00 C ATOM 967 O VAL A 66 4.931 -13.905 -10.413 1.00 0.00 O ATOM 968 CB VAL A 66 3.808 -17.041 -11.180 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.534 -16.286 -10.766 1.00 0.00 C ATOM 970 CG2 VAL A 66 3.879 -17.135 -12.711 1.00 0.00 C ATOM 0 H VAL A 66 4.162 -15.745 -8.760 1.00 0.00 H new ATOM 0 HA VAL A 66 5.981 -16.758 -10.929 1.00 0.00 H new ATOM 0 HB VAL A 66 3.790 -18.051 -10.771 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.659 -16.809 -11.153 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.476 -16.239 -9.679 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.562 -15.275 -11.172 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.003 -17.665 -13.084 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.905 -16.132 -13.136 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.780 -17.675 -13.001 1.00 0.00 H new ATOM 980 N ASP A 67 5.197 -14.736 -12.468 1.00 0.00 N ATOM 981 CA ASP A 67 5.204 -13.386 -13.072 1.00 0.00 C ATOM 982 C ASP A 67 4.062 -12.577 -12.491 1.00 0.00 C ATOM 983 O ASP A 67 3.032 -13.128 -12.153 1.00 0.00 O ATOM 984 CB ASP A 67 4.998 -13.526 -14.590 1.00 0.00 C ATOM 985 CG ASP A 67 5.444 -12.235 -15.284 1.00 0.00 C ATOM 986 OD1 ASP A 67 4.829 -11.223 -14.993 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.375 -12.336 -16.067 1.00 0.00 O ATOM 0 H ASP A 67 5.317 -15.510 -13.121 1.00 0.00 H new ATOM 0 HA ASP A 67 6.151 -12.887 -12.865 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.570 -14.373 -14.969 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.949 -13.726 -14.809 1.00 0.00 H new ATOM 992 N TYR A 68 4.244 -11.291 -12.375 1.00 0.00 N ATOM 993 CA TYR A 68 3.156 -10.475 -11.812 1.00 0.00 C ATOM 994 C TYR A 68 3.114 -9.081 -12.409 1.00 0.00 C ATOM 995 O TYR A 68 3.993 -8.275 -12.173 1.00 0.00 O ATOM 996 CB TYR A 68 3.419 -10.350 -10.317 1.00 0.00 C ATOM 997 CG TYR A 68 2.332 -11.098 -9.544 1.00 0.00 C ATOM 998 CD1 TYR A 68 1.006 -10.749 -9.688 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.664 -12.133 -8.692 1.00 0.00 C ATOM 1000 CE1 TYR A 68 0.027 -11.424 -8.991 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.683 -12.807 -7.996 1.00 0.00 C ATOM 1002 CZ TYR A 68 0.357 -12.459 -8.139 1.00 0.00 C ATOM 1003 OH TYR A 68 -0.624 -13.131 -7.439 1.00 0.00 O ATOM 0 H TYR A 68 5.088 -10.785 -12.643 1.00 0.00 H new ATOM 0 HA TYR A 68 2.203 -10.956 -12.033 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.400 -10.759 -10.074 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.430 -9.300 -10.025 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.733 -9.942 -10.351 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.699 -12.416 -8.570 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.008 -11.141 -9.113 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.956 -13.615 -7.333 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.213 -13.830 -6.888 1.00 0.00 H new ATOM 1013 N THR A 69 2.090 -8.817 -13.173 1.00 0.00 N ATOM 1014 CA THR A 69 1.977 -7.481 -13.788 1.00 0.00 C ATOM 1015 C THR A 69 1.236 -6.559 -12.829 1.00 0.00 C ATOM 1016 O THR A 69 0.209 -6.932 -12.287 1.00 0.00 O ATOM 1017 CB THR A 69 1.180 -7.607 -15.092 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.013 -8.997 -15.296 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.017 -7.139 -16.292 1.00 0.00 C ATOM 0 H THR A 69 1.336 -9.468 -13.392 1.00 0.00 H new ATOM 0 HA THR A 69 2.966 -7.074 -13.997 1.00 0.00 H new ATOM 0 HB THR A 69 0.260 -7.028 -15.019 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.236 -9.311 -14.788 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.430 -7.238 -17.205 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.300 -6.095 -16.153 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.915 -7.751 -16.370 1.00 0.00 H new ATOM 1027 N ILE A 70 1.768 -5.373 -12.627 1.00 0.00 N ATOM 1028 CA ILE A 70 1.099 -4.417 -11.695 1.00 0.00 C ATOM 1029 C ILE A 70 0.864 -3.058 -12.337 1.00 0.00 C ATOM 1030 O ILE A 70 1.753 -2.488 -12.948 1.00 0.00 O ATOM 1031 CB ILE A 70 2.013 -4.223 -10.487 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.266 -3.483 -9.386 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.220 -3.374 -10.924 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.230 -3.189 -8.231 1.00 0.00 C ATOM 0 H ILE A 70 2.625 -5.033 -13.063 1.00 0.00 H new ATOM 0 HA ILE A 70 0.129 -4.830 -11.418 1.00 0.00 H new ATOM 0 HB ILE A 70 2.338 -5.194 -10.112 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.850 -2.553 -9.774 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.428 -4.083 -9.032 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.886 -3.224 -10.074 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.758 -3.889 -11.720 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.872 -2.407 -11.288 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.699 -2.659 -7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.624 -4.126 -7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.053 -2.572 -8.592 1.00 0.00 H new ATOM 1046 N THR A 71 -0.344 -2.571 -12.184 1.00 0.00 N ATOM 1047 CA THR A 71 -0.704 -1.268 -12.748 1.00 0.00 C ATOM 1048 C THR A 71 -1.254 -0.374 -11.652 1.00 0.00 C ATOM 1049 O THR A 71 -2.228 -0.719 -11.010 1.00 0.00 O ATOM 1050 CB THR A 71 -1.799 -1.497 -13.769 1.00 0.00 C ATOM 1051 OG1 THR A 71 -2.759 -2.289 -13.109 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.305 -2.377 -14.911 1.00 0.00 C ATOM 0 H THR A 71 -1.096 -3.042 -11.681 1.00 0.00 H new ATOM 0 HA THR A 71 0.170 -0.798 -13.199 1.00 0.00 H new ATOM 0 HB THR A 71 -2.153 -0.539 -14.150 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.015 -3.040 -13.684 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.110 -2.526 -15.630 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.462 -1.893 -15.405 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.988 -3.342 -14.516 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.629 0.761 -11.457 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.113 1.696 -10.392 1.00 0.00 C ATOM 1062 C VAL A 72 -1.591 3.005 -11.004 1.00 0.00 C ATOM 1063 O VAL A 72 -0.895 3.628 -11.789 1.00 0.00 O ATOM 1064 CB VAL A 72 0.038 1.968 -9.393 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.437 0.651 -8.724 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.246 2.531 -10.125 1.00 0.00 C ATOM 0 H VAL A 72 0.186 1.079 -11.982 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.953 1.237 -9.870 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.299 2.688 -8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.248 0.832 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.421 0.238 -8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.769 -0.057 -9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.049 2.718 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.585 1.814 -10.873 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.971 3.465 -10.616 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.785 3.393 -10.629 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.362 4.654 -11.162 1.00 0.00 C ATOM 1078 C TYR A 73 -3.300 5.775 -10.129 1.00 0.00 C ATOM 1079 O TYR A 73 -3.520 5.551 -8.953 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.854 4.398 -11.491 1.00 0.00 C ATOM 1081 CG TYR A 73 -5.014 3.726 -12.868 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.275 2.605 -13.208 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.930 4.220 -13.779 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.453 1.994 -14.433 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -6.105 3.605 -15.002 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.369 2.491 -15.339 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.540 1.883 -16.566 1.00 0.00 O ATOM 0 H TYR A 73 -3.382 2.886 -9.975 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.792 4.952 -12.042 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.295 3.765 -10.721 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.399 5.342 -11.479 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.554 2.206 -12.510 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.513 5.094 -13.531 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.871 1.120 -14.685 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.826 4.001 -15.702 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.225 2.363 -17.076 1.00 0.00 H new ATOM 1097 N ALA A 74 -3.001 6.963 -10.598 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.917 8.134 -9.680 1.00 0.00 C ATOM 1099 C ALA A 74 -3.947 9.168 -10.097 1.00 0.00 C ATOM 1100 O ALA A 74 -3.675 10.025 -10.914 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.515 8.755 -9.795 1.00 0.00 C ATOM 0 H ALA A 74 -2.812 7.169 -11.579 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.105 7.816 -8.654 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.441 9.613 -9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.765 8.014 -9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.343 9.078 -10.822 1.00 0.00 H new ATOM 1107 N VAL A 75 -5.116 9.074 -9.527 1.00 0.00 N ATOM 1108 CA VAL A 75 -6.178 10.044 -9.883 1.00 0.00 C ATOM 1109 C VAL A 75 -6.205 11.225 -8.926 1.00 0.00 C ATOM 1110 O VAL A 75 -6.340 11.052 -7.727 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.516 9.315 -9.804 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.648 10.320 -10.003 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.576 8.252 -10.907 1.00 0.00 C ATOM 0 H VAL A 75 -5.377 8.371 -8.835 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.985 10.430 -10.884 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.620 8.837 -8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.607 9.804 -9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.600 11.081 -9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.547 10.793 -10.980 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.530 7.728 -10.855 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.478 8.732 -11.881 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.763 7.539 -10.770 1.00 0.00 H new ATOM 1123 N THR A 76 -6.089 12.410 -9.484 1.00 0.00 N ATOM 1124 CA THR A 76 -6.104 13.633 -8.639 1.00 0.00 C ATOM 1125 C THR A 76 -7.362 14.457 -8.890 1.00 0.00 C ATOM 1126 O THR A 76 -8.356 13.951 -9.375 1.00 0.00 O ATOM 1127 CB THR A 76 -4.876 14.481 -8.999 1.00 0.00 C ATOM 1128 OG1 THR A 76 -4.808 15.484 -8.009 1.00 0.00 O ATOM 1129 CG2 THR A 76 -5.096 15.247 -10.315 1.00 0.00 C ATOM 0 H THR A 76 -5.985 12.575 -10.485 1.00 0.00 H new ATOM 0 HA THR A 76 -6.088 13.340 -7.589 1.00 0.00 H new ATOM 0 HB THR A 76 -3.999 13.838 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.054 15.103 -7.140 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.210 15.839 -10.544 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.278 14.538 -11.123 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.957 15.908 -10.212 1.00 0.00 H new ATOM 1137 N GLY A 77 -7.293 15.712 -8.550 1.00 0.00 N ATOM 1138 CA GLY A 77 -8.474 16.600 -8.757 1.00 0.00 C ATOM 1139 C GLY A 77 -8.404 17.805 -7.813 1.00 0.00 C ATOM 1140 O GLY A 77 -8.577 17.673 -6.617 1.00 0.00 O ATOM 0 H GLY A 77 -6.475 16.162 -8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.504 16.941 -9.792 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.393 16.042 -8.578 1.00 0.00 H new ATOM 1144 N ARG A 78 -8.150 18.954 -8.376 1.00 0.00 N ATOM 1145 CA ARG A 78 -8.064 20.174 -7.545 1.00 0.00 C ATOM 1146 C ARG A 78 -9.410 20.504 -6.930 1.00 0.00 C ATOM 1147 O ARG A 78 -9.511 20.797 -5.755 1.00 0.00 O ATOM 1148 CB ARG A 78 -7.640 21.332 -8.462 1.00 0.00 C ATOM 1149 CG ARG A 78 -7.380 22.585 -7.622 1.00 0.00 C ATOM 1150 CD ARG A 78 -6.180 22.349 -6.693 1.00 0.00 C ATOM 1151 NE ARG A 78 -5.473 23.643 -6.478 1.00 0.00 N ATOM 1152 CZ ARG A 78 -5.100 23.976 -5.272 1.00 0.00 C ATOM 1153 NH1 ARG A 78 -4.210 23.241 -4.659 1.00 0.00 N ATOM 1154 NH2 ARG A 78 -5.628 25.033 -4.719 1.00 0.00 N ATOM 0 H ARG A 78 -7.999 19.095 -9.375 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.347 20.018 -6.739 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.741 21.060 -9.015 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.419 21.531 -9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.185 23.437 -8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.264 22.830 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.516 21.940 -5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.502 21.617 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.282 24.263 -7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.818 22.422 -5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.907 23.487 -3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.320 25.583 -5.228 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.349 25.309 -3.777 1.00 0.00 H new ATOM 1168 N GLY A 79 -10.415 20.451 -7.737 1.00 0.00 N ATOM 1169 CA GLY A 79 -11.780 20.758 -7.234 1.00 0.00 C ATOM 1170 C GLY A 79 -12.494 19.476 -6.838 1.00 0.00 C ATOM 1171 O GLY A 79 -12.368 19.005 -5.725 1.00 0.00 O ATOM 0 H GLY A 79 -10.358 20.209 -8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.717 21.428 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.351 21.278 -8.003 1.00 0.00 H new ATOM 1175 N ASP A 80 -13.231 18.938 -7.756 1.00 0.00 N ATOM 1176 CA ASP A 80 -13.965 17.688 -7.459 1.00 0.00 C ATOM 1177 C ASP A 80 -14.277 16.917 -8.735 1.00 0.00 C ATOM 1178 O ASP A 80 -14.685 15.775 -8.684 1.00 0.00 O ATOM 1179 CB ASP A 80 -15.287 18.053 -6.770 1.00 0.00 C ATOM 1180 CG ASP A 80 -15.919 19.246 -7.488 1.00 0.00 C ATOM 1181 OD1 ASP A 80 -15.299 20.296 -7.441 1.00 0.00 O ATOM 1182 OD2 ASP A 80 -16.986 19.040 -8.042 1.00 0.00 O ATOM 0 H ASP A 80 -13.358 19.308 -8.698 1.00 0.00 H new ATOM 0 HA ASP A 80 -13.345 17.061 -6.818 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.967 17.201 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -15.109 18.297 -5.723 1.00 0.00 H new ATOM 1187 N SER A 81 -14.082 17.551 -9.863 1.00 0.00 N ATOM 1188 CA SER A 81 -14.370 16.848 -11.138 1.00 0.00 C ATOM 1189 C SER A 81 -13.218 15.879 -11.501 1.00 0.00 C ATOM 1190 O SER A 81 -12.087 16.102 -11.116 1.00 0.00 O ATOM 1191 CB SER A 81 -14.501 17.904 -12.248 1.00 0.00 C ATOM 1192 OG SER A 81 -13.983 17.261 -13.402 1.00 0.00 O ATOM 0 H SER A 81 -13.742 18.508 -9.952 1.00 0.00 H new ATOM 0 HA SER A 81 -15.289 16.272 -11.033 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.539 18.205 -12.391 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.938 18.806 -12.008 1.00 0.00 H new ATOM 0 HG SER A 81 -14.031 17.872 -14.166 1.00 0.00 H new ATOM 1198 N PRO A 82 -13.525 14.806 -12.250 1.00 0.00 N ATOM 1199 CA PRO A 82 -12.498 13.834 -12.643 1.00 0.00 C ATOM 1200 C PRO A 82 -11.421 14.469 -13.522 1.00 0.00 C ATOM 1201 O PRO A 82 -11.700 15.360 -14.302 1.00 0.00 O ATOM 1202 CB PRO A 82 -13.254 12.766 -13.464 1.00 0.00 C ATOM 1203 CG PRO A 82 -14.723 13.256 -13.624 1.00 0.00 C ATOM 1204 CD PRO A 82 -14.888 14.498 -12.736 1.00 0.00 C ATOM 0 HA PRO A 82 -11.992 13.430 -11.766 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.787 12.629 -14.439 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.224 11.801 -12.958 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -14.937 13.497 -14.665 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -15.423 12.475 -13.327 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -15.304 15.333 -13.299 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.568 14.303 -11.907 1.00 0.00 H new ATOM 1212 N ALA A 83 -10.207 13.993 -13.370 1.00 0.00 N ATOM 1213 CA ALA A 83 -9.084 14.542 -14.180 1.00 0.00 C ATOM 1214 C ALA A 83 -8.278 13.412 -14.822 1.00 0.00 C ATOM 1215 O ALA A 83 -7.570 12.695 -14.143 1.00 0.00 O ATOM 1216 CB ALA A 83 -8.160 15.337 -13.244 1.00 0.00 C ATOM 0 H ALA A 83 -9.951 13.250 -12.720 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.487 15.177 -14.969 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.329 15.749 -13.817 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.721 16.150 -12.783 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.773 14.677 -12.467 1.00 0.00 H new ATOM 1222 N SER A 84 -8.402 13.267 -16.118 1.00 0.00 N ATOM 1223 CA SER A 84 -7.643 12.186 -16.803 1.00 0.00 C ATOM 1224 C SER A 84 -6.145 12.471 -16.747 1.00 0.00 C ATOM 1225 O SER A 84 -5.693 13.502 -17.210 1.00 0.00 O ATOM 1226 CB SER A 84 -8.091 12.128 -18.275 1.00 0.00 C ATOM 1227 OG SER A 84 -7.105 11.324 -18.907 1.00 0.00 O ATOM 0 H SER A 84 -8.989 13.844 -16.721 1.00 0.00 H new ATOM 0 HA SER A 84 -7.839 11.236 -16.305 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.084 11.690 -18.372 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.137 13.123 -18.717 1.00 0.00 H new ATOM 0 HG SER A 84 -7.318 11.234 -19.859 1.00 0.00 H new ATOM 1233 N SER A 85 -5.401 11.545 -16.179 1.00 0.00 N ATOM 1234 CA SER A 85 -3.923 11.733 -16.076 1.00 0.00 C ATOM 1235 C SER A 85 -3.168 10.716 -16.928 1.00 0.00 C ATOM 1236 O SER A 85 -3.445 10.554 -18.100 1.00 0.00 O ATOM 1237 CB SER A 85 -3.520 11.532 -14.608 1.00 0.00 C ATOM 1238 OG SER A 85 -3.775 10.155 -14.367 1.00 0.00 O ATOM 0 H SER A 85 -5.756 10.673 -15.786 1.00 0.00 H new ATOM 0 HA SER A 85 -3.671 12.732 -16.432 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.471 11.778 -14.445 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.104 12.168 -13.943 1.00 0.00 H new ATOM 0 HG SER A 85 -3.541 9.936 -13.441 1.00 0.00 H new ATOM 1244 N LYS A 86 -2.221 10.050 -16.316 1.00 0.00 N ATOM 1245 CA LYS A 86 -1.433 9.040 -17.066 1.00 0.00 C ATOM 1246 C LYS A 86 -0.909 7.930 -16.115 1.00 0.00 C ATOM 1247 O LYS A 86 0.156 8.069 -15.545 1.00 0.00 O ATOM 1248 CB LYS A 86 -0.221 9.757 -17.678 1.00 0.00 C ATOM 1249 CG LYS A 86 0.124 10.978 -16.827 1.00 0.00 C ATOM 1250 CD LYS A 86 1.486 11.520 -17.257 1.00 0.00 C ATOM 1251 CE LYS A 86 1.574 13.002 -16.885 1.00 0.00 C ATOM 1252 NZ LYS A 86 2.988 13.394 -16.632 1.00 0.00 N ATOM 0 H LYS A 86 -1.965 10.165 -15.335 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.064 8.582 -17.828 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.631 9.079 -17.725 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.443 10.063 -18.701 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.640 11.746 -16.945 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.144 10.707 -15.771 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.284 10.961 -16.769 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.619 11.393 -18.331 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.160 13.610 -17.690 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.972 13.196 -15.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.104 14.411 -16.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.233 13.191 -15.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.616 12.855 -17.262 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.670 6.835 -15.955 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.247 5.739 -15.073 1.00 0.00 C ATOM 1268 C PRO A 87 0.108 5.165 -15.475 1.00 0.00 C ATOM 1269 O PRO A 87 0.719 5.612 -16.425 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.339 4.665 -15.232 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.488 5.291 -16.075 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.969 6.622 -16.628 1.00 0.00 C ATOM 0 HA PRO A 87 -1.131 6.087 -14.046 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.938 3.780 -15.727 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.708 4.346 -14.257 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.778 4.624 -16.887 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.374 5.449 -15.461 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.850 6.580 -17.711 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.662 7.435 -16.414 1.00 0.00 H new ATOM 1280 N ILE A 88 0.555 4.176 -14.737 1.00 0.00 N ATOM 1281 CA ILE A 88 1.866 3.558 -15.057 1.00 0.00 C ATOM 1282 C ILE A 88 1.823 2.073 -14.740 1.00 0.00 C ATOM 1283 O ILE A 88 1.046 1.644 -13.909 1.00 0.00 O ATOM 1284 CB ILE A 88 2.942 4.233 -14.202 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.322 3.746 -14.621 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.711 3.853 -12.731 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.387 4.443 -13.768 1.00 0.00 C ATOM 0 H ILE A 88 0.068 3.778 -13.934 1.00 0.00 H new ATOM 0 HA ILE A 88 2.091 3.688 -16.116 1.00 0.00 H new ATOM 0 HB ILE A 88 2.885 5.313 -14.334 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.391 2.665 -14.498 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.490 3.958 -15.677 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.471 4.327 -12.109 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.723 4.192 -12.419 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.775 2.771 -12.620 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.376 4.096 -14.066 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.322 5.521 -13.914 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.222 4.208 -12.716 1.00 0.00 H new ATOM 1299 N SER A 89 2.646 1.304 -15.400 1.00 0.00 N ATOM 1300 CA SER A 89 2.631 -0.149 -15.120 1.00 0.00 C ATOM 1301 C SER A 89 3.906 -0.842 -15.597 1.00 0.00 C ATOM 1302 O SER A 89 4.492 -0.458 -16.588 1.00 0.00 O ATOM 1303 CB SER A 89 1.449 -0.750 -15.883 1.00 0.00 C ATOM 1304 OG SER A 89 0.345 0.061 -15.511 1.00 0.00 O ATOM 0 H SER A 89 3.313 1.616 -16.106 1.00 0.00 H new ATOM 0 HA SER A 89 2.553 -0.295 -14.043 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.616 -0.725 -16.960 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.287 -1.793 -15.609 1.00 0.00 H new ATOM 0 HG SER A 89 0.456 0.359 -14.584 1.00 0.00 H new ATOM 1310 N ILE A 90 4.306 -1.862 -14.879 1.00 0.00 N ATOM 1311 CA ILE A 90 5.536 -2.599 -15.274 1.00 0.00 C ATOM 1312 C ILE A 90 5.433 -4.064 -14.851 1.00 0.00 C ATOM 1313 O ILE A 90 4.595 -4.421 -14.045 1.00 0.00 O ATOM 1314 CB ILE A 90 6.757 -1.969 -14.586 1.00 0.00 C ATOM 1315 CG1 ILE A 90 6.350 -1.356 -13.246 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.315 -0.845 -15.488 1.00 0.00 C ATOM 1317 CD1 ILE A 90 7.610 -1.057 -12.404 1.00 0.00 C ATOM 0 H ILE A 90 3.836 -2.211 -14.044 1.00 0.00 H new ATOM 0 HA ILE A 90 5.645 -2.541 -16.357 1.00 0.00 H new ATOM 0 HB ILE A 90 7.509 -2.741 -14.420 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.786 -0.438 -13.412 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.695 -2.040 -12.707 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.182 -0.391 -15.009 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.610 -1.263 -16.450 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.547 -0.087 -15.642 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.315 -0.620 -11.450 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.157 -1.983 -12.226 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.249 -0.356 -12.942 1.00 0.00 H new ATOM 1329 N ASN A 91 6.284 -4.889 -15.402 1.00 0.00 N ATOM 1330 CA ASN A 91 6.242 -6.332 -15.040 1.00 0.00 C ATOM 1331 C ASN A 91 7.213 -6.653 -13.904 1.00 0.00 C ATOM 1332 O ASN A 91 8.340 -6.199 -13.899 1.00 0.00 O ATOM 1333 CB ASN A 91 6.648 -7.148 -16.278 1.00 0.00 C ATOM 1334 CG ASN A 91 7.438 -8.381 -15.838 1.00 0.00 C ATOM 1335 OD1 ASN A 91 6.984 -9.170 -15.031 1.00 0.00 O ATOM 1336 ND2 ASN A 91 8.622 -8.587 -16.344 1.00 0.00 N ATOM 0 H ASN A 91 6.999 -4.627 -16.081 1.00 0.00 H new ATOM 0 HA ASN A 91 5.234 -6.581 -14.708 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.761 -7.451 -16.834 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.252 -6.536 -16.948 1.00 0.00 H new ATOM 0 HD21 ASN A 91 9.161 -9.406 -16.063 1.00 0.00 H new ATOM 0 HD22 ASN A 91 9.009 -7.929 -17.021 1.00 0.00 H new ATOM 1343 N TYR A 92 6.751 -7.440 -12.961 1.00 0.00 N ATOM 1344 CA TYR A 92 7.624 -7.812 -11.811 1.00 0.00 C ATOM 1345 C TYR A 92 7.407 -9.269 -11.431 1.00 0.00 C ATOM 1346 O TYR A 92 6.285 -9.721 -11.318 1.00 0.00 O ATOM 1347 CB TYR A 92 7.255 -6.931 -10.596 1.00 0.00 C ATOM 1348 CG TYR A 92 8.305 -7.121 -9.487 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.318 -8.268 -8.708 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.263 -6.153 -9.260 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.275 -8.437 -7.727 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.218 -6.325 -8.278 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.231 -7.466 -7.505 1.00 0.00 C ATOM 1354 OH TYR A 92 11.188 -7.638 -6.526 1.00 0.00 O ATOM 0 H TYR A 92 5.812 -7.837 -12.941 1.00 0.00 H new ATOM 0 HA TYR A 92 8.665 -7.663 -12.096 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.210 -5.883 -10.893 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.266 -7.200 -10.225 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.575 -9.034 -8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.265 -5.253 -9.856 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.276 -9.336 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.961 -5.559 -8.114 1.00 0.00 H new ATOM 0 HH TYR A 92 11.781 -6.858 -6.508 1.00 0.00 H new ATOM 1364 N ARG A 93 8.483 -9.981 -11.238 1.00 0.00 N ATOM 1365 CA ARG A 93 8.351 -11.411 -10.864 1.00 0.00 C ATOM 1366 C ARG A 93 8.242 -11.561 -9.356 1.00 0.00 C ATOM 1367 O ARG A 93 9.208 -11.365 -8.644 1.00 0.00 O ATOM 1368 CB ARG A 93 9.603 -12.158 -11.350 1.00 0.00 C ATOM 1369 CG ARG A 93 9.246 -13.626 -11.618 1.00 0.00 C ATOM 1370 CD ARG A 93 10.484 -14.363 -12.146 1.00 0.00 C ATOM 1371 NE ARG A 93 10.044 -15.452 -13.064 1.00 0.00 N ATOM 1372 CZ ARG A 93 10.664 -15.620 -14.200 1.00 0.00 C ATOM 1373 NH1 ARG A 93 10.434 -14.782 -15.172 1.00 0.00 N ATOM 1374 NH2 ARG A 93 11.491 -16.623 -14.328 1.00 0.00 N ATOM 0 H ARG A 93 9.439 -9.635 -11.323 1.00 0.00 H new ATOM 0 HA ARG A 93 7.451 -11.821 -11.323 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.988 -11.694 -12.258 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.392 -12.095 -10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.891 -14.098 -10.702 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.435 -13.688 -12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.140 -13.669 -12.672 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.058 -14.778 -11.317 1.00 0.00 H new ATOM 0 HE ARG A 93 9.266 -16.060 -12.807 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.779 -14.012 -15.037 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.909 -14.897 -16.067 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.644 -17.261 -13.547 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.984 -16.769 -15.209 1.00 0.00 H new ATOM 1388 N THR A 94 7.057 -11.907 -8.895 1.00 0.00 N ATOM 1389 CA THR A 94 6.855 -12.077 -7.427 1.00 0.00 C ATOM 1390 C THR A 94 6.384 -13.495 -7.106 1.00 0.00 C ATOM 1391 O THR A 94 5.520 -13.963 -7.838 1.00 0.00 O ATOM 1392 CB THR A 94 5.782 -11.076 -6.970 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.524 -10.267 -8.099 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.346 -10.098 -5.917 1.00 0.00 C ATOM 1395 OXT THR A 94 6.916 -14.038 -6.151 1.00 0.00 O ATOM 0 H THR A 94 6.233 -12.076 -9.471 1.00 0.00 H new ATOM 0 HA THR A 94 7.799 -11.901 -6.910 1.00 0.00 H new ATOM 0 HB THR A 94 4.925 -11.616 -6.567 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.841 -9.601 -7.875 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.565 -9.402 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.692 -10.658 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.180 -9.543 -6.346 1.00 0.00 H new TER 1403 THR A 94