USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 678 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 26 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 65 SER OG : rot 62:sc= 0.186 USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 1 MET CE :methyl -128:sc= 0 (180deg=-1.68!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -120:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= -0.0205 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 149:sc= -0.26 (180deg=-0.787) USER MOD Single : A 12 THR OG1 : rot -20:sc= 0.0353 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 38 ASN : amide:sc= -1.13 K(o=-1.1,f=-3!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 152:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.15) USER MOD Single : A 63 SER OG : rot -110:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.772 K(o=-0.77,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.0466 (180deg=-0.579) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 2.947 17.876 6.412 1.00 0.00 N ATOM 2 CA GLY A -2 3.056 17.126 7.676 1.00 0.00 C ATOM 3 C GLY A -2 3.614 15.719 7.496 1.00 0.00 C ATOM 4 O GLY A -2 4.761 15.519 7.869 1.00 0.00 O ATOM 0 H1 GLY A -2 2.562 18.823 6.602 1.00 0.00 H new ATOM 0 H2 GLY A -2 3.888 17.966 5.979 1.00 0.00 H new ATOM 0 H3 GLY A -2 2.314 17.369 5.761 1.00 0.00 H new ATOM 0 HA2 GLY A -2 3.696 17.678 8.364 1.00 0.00 H new ATOM 0 HA3 GLY A -2 2.071 17.062 8.139 1.00 0.00 H new ATOM 10 N SER A -1 2.831 14.744 6.999 1.00 0.00 N ATOM 11 CA SER A -1 3.098 13.315 7.274 1.00 0.00 C ATOM 12 C SER A -1 2.686 12.334 6.152 1.00 0.00 C ATOM 13 O SER A -1 1.993 12.727 5.216 1.00 0.00 O ATOM 14 CB SER A -1 2.338 12.967 8.559 1.00 0.00 C ATOM 15 OG SER A -1 2.816 11.753 9.091 1.00 0.00 O ATOM 0 H SER A -1 2.016 14.914 6.410 1.00 0.00 H new ATOM 0 HA SER A -1 4.178 13.195 7.358 1.00 0.00 H new ATOM 0 HB2 SER A -1 2.459 13.766 9.290 1.00 0.00 H new ATOM 0 HB3 SER A -1 1.271 12.886 8.349 1.00 0.00 H new ATOM 0 HG SER A -1 2.326 11.540 9.912 1.00 0.00 H new ATOM 21 N HIS A 0 3.094 11.055 6.280 1.00 0.00 N ATOM 22 CA HIS A 0 2.628 9.845 5.562 1.00 0.00 C ATOM 23 C HIS A 0 3.126 8.565 6.283 1.00 0.00 C ATOM 24 O HIS A 0 3.911 8.681 7.222 1.00 0.00 O ATOM 25 CB HIS A 0 3.066 9.876 4.083 1.00 0.00 C ATOM 26 CG HIS A 0 4.556 9.813 3.846 1.00 0.00 C ATOM 27 ND1 HIS A 0 5.348 8.680 3.923 1.00 0.00 N ATOM 28 CD2 HIS A 0 5.343 10.858 3.448 1.00 0.00 C ATOM 29 CE1 HIS A 0 6.603 9.037 3.584 1.00 0.00 C ATOM 30 NE2 HIS A 0 6.624 10.356 3.291 1.00 0.00 N ATOM 0 H HIS A 0 3.826 10.818 6.950 1.00 0.00 H new ATOM 0 HA HIS A 0 1.538 9.832 5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 0 2.597 9.039 3.566 1.00 0.00 H new ATOM 0 HB3 HIS A 0 2.681 10.788 3.627 1.00 0.00 H new ATOM 0 HD2 HIS A 0 5.027 11.878 3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 0 7.455 8.375 3.552 1.00 0.00 H new ATOM 0 HE2 HIS A 0 7.444 10.891 3.003 1.00 0.00 H new ATOM 39 N MET A 1 2.713 7.352 5.862 1.00 0.00 N ATOM 40 CA MET A 1 3.008 6.085 6.578 1.00 0.00 C ATOM 41 C MET A 1 3.019 4.837 5.654 1.00 0.00 C ATOM 42 O MET A 1 2.299 4.815 4.655 1.00 0.00 O ATOM 43 CB MET A 1 1.936 5.941 7.679 1.00 0.00 C ATOM 44 CG MET A 1 2.270 4.961 8.808 1.00 0.00 C ATOM 45 SD MET A 1 1.074 5.099 10.171 1.00 0.00 S ATOM 46 CE MET A 1 1.713 3.880 11.350 1.00 0.00 C ATOM 0 H MET A 1 2.163 7.219 5.013 1.00 0.00 H new ATOM 0 HA MET A 1 4.015 6.135 6.992 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.757 6.923 8.117 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.003 5.625 7.213 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.269 3.942 8.421 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.275 5.160 9.181 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.912 3.201 11.641 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.519 3.312 10.885 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.093 4.393 12.234 1.00 0.00 H new ATOM 56 N THR A 2 3.797 3.794 6.005 1.00 0.00 N ATOM 57 CA THR A 2 3.952 2.496 5.294 1.00 0.00 C ATOM 58 C THR A 2 4.254 1.348 6.283 1.00 0.00 C ATOM 59 O THR A 2 4.954 1.600 7.262 1.00 0.00 O ATOM 60 CB THR A 2 5.134 2.539 4.298 1.00 0.00 C ATOM 61 OG1 THR A 2 6.297 3.053 4.913 1.00 0.00 O ATOM 62 CG2 THR A 2 4.898 3.390 3.053 1.00 0.00 C ATOM 0 H THR A 2 4.374 3.832 6.846 1.00 0.00 H new ATOM 0 HA THR A 2 3.010 2.323 4.773 1.00 0.00 H new ATOM 0 HB THR A 2 5.245 1.499 3.991 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.031 3.069 4.264 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.782 3.357 2.417 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.041 3.001 2.503 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.702 4.421 3.349 1.00 0.00 H new ATOM 70 N LEU A 3 3.783 0.102 6.034 1.00 0.00 N ATOM 71 CA LEU A 3 4.044 -1.123 6.846 1.00 0.00 C ATOM 72 C LEU A 3 4.098 -2.423 5.989 1.00 0.00 C ATOM 73 O LEU A 3 3.865 -2.383 4.786 1.00 0.00 O ATOM 74 CB LEU A 3 2.999 -1.295 7.980 1.00 0.00 C ATOM 75 CG LEU A 3 2.991 -0.190 9.062 1.00 0.00 C ATOM 76 CD1 LEU A 3 1.729 0.665 8.932 1.00 0.00 C ATOM 77 CD2 LEU A 3 3.143 -0.704 10.497 1.00 0.00 C ATOM 0 H LEU A 3 3.186 -0.090 5.230 1.00 0.00 H new ATOM 0 HA LEU A 3 5.030 -0.972 7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.007 -1.344 7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.175 -2.254 8.468 1.00 0.00 H new ATOM 0 HG LEU A 3 3.878 0.415 8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.734 1.440 9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.704 1.130 7.946 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.848 0.035 9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.127 0.138 11.189 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.321 -1.381 10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.090 -1.236 10.595 1.00 0.00 H new ATOM 89 N ARG A 4 4.416 -3.585 6.594 1.00 0.00 N ATOM 90 CA ARG A 4 4.586 -4.917 5.950 1.00 0.00 C ATOM 91 C ARG A 4 3.278 -5.731 5.881 1.00 0.00 C ATOM 92 O ARG A 4 2.332 -5.449 6.618 1.00 0.00 O ATOM 93 CB ARG A 4 5.609 -5.738 6.763 1.00 0.00 C ATOM 94 CG ARG A 4 7.019 -5.124 6.825 1.00 0.00 C ATOM 95 CD ARG A 4 7.770 -5.565 8.088 1.00 0.00 C ATOM 96 NE ARG A 4 8.114 -7.000 8.092 1.00 0.00 N ATOM 97 CZ ARG A 4 8.654 -7.665 9.109 1.00 0.00 C ATOM 98 NH1 ARG A 4 8.800 -7.119 10.295 1.00 0.00 N ATOM 99 NH2 ARG A 4 9.078 -8.897 8.947 1.00 0.00 N ATOM 0 H ARG A 4 4.571 -3.629 7.601 1.00 0.00 H new ATOM 0 HA ARG A 4 4.920 -4.732 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.234 -5.857 7.779 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.680 -6.736 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.585 -5.420 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.945 -4.037 6.806 1.00 0.00 H new ATOM 0 HD2 ARG A 4 8.684 -4.979 8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 4 7.158 -5.343 8.962 1.00 0.00 H new ATOM 0 HE ARG A 4 7.921 -7.528 7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.495 -6.159 10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.218 -7.655 11.055 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.994 -9.350 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.491 -9.401 9.731 1.00 0.00 H new ATOM 113 N ILE A 5 3.266 -6.837 5.107 1.00 0.00 N ATOM 114 CA ILE A 5 2.117 -7.770 5.034 1.00 0.00 C ATOM 115 C ILE A 5 1.688 -8.298 6.406 1.00 0.00 C ATOM 116 O ILE A 5 0.494 -8.460 6.638 1.00 0.00 O ATOM 117 CB ILE A 5 2.338 -8.950 4.042 1.00 0.00 C ATOM 118 CG1 ILE A 5 0.995 -9.274 3.344 1.00 0.00 C ATOM 119 CG2 ILE A 5 2.945 -10.221 4.668 1.00 0.00 C ATOM 120 CD1 ILE A 5 1.125 -10.251 2.168 1.00 0.00 C ATOM 0 H ILE A 5 4.051 -7.110 4.515 1.00 0.00 H new ATOM 0 HA ILE A 5 1.301 -7.164 4.639 1.00 0.00 H new ATOM 0 HB ILE A 5 3.086 -8.615 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.307 -9.694 4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.550 -8.346 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.061 -10.985 3.900 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.920 -9.986 5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.284 -10.592 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.142 -10.428 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.786 -9.826 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.539 -11.195 2.523 1.00 0.00 H new ATOM 132 N ARG A 6 2.650 -8.515 7.320 1.00 0.00 N ATOM 133 CA ARG A 6 2.396 -8.951 8.698 1.00 0.00 C ATOM 134 C ARG A 6 1.391 -8.022 9.384 1.00 0.00 C ATOM 135 O ARG A 6 0.442 -8.513 9.987 1.00 0.00 O ATOM 136 CB ARG A 6 3.703 -9.051 9.512 1.00 0.00 C ATOM 137 CG ARG A 6 4.519 -10.340 9.297 1.00 0.00 C ATOM 138 CD ARG A 6 5.399 -10.337 8.042 1.00 0.00 C ATOM 139 NE ARG A 6 6.338 -11.479 8.038 1.00 0.00 N ATOM 140 CZ ARG A 6 6.159 -12.689 7.515 1.00 0.00 C ATOM 141 NH1 ARG A 6 5.043 -13.040 6.920 1.00 0.00 N ATOM 142 NH2 ARG A 6 7.119 -13.582 7.589 1.00 0.00 N ATOM 0 H ARG A 6 3.641 -8.389 7.115 1.00 0.00 H new ATOM 0 HA ARG A 6 1.963 -9.950 8.654 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.333 -8.197 9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.459 -8.968 10.571 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.153 -10.503 10.169 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.832 -11.184 9.241 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.769 -10.379 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.959 -9.403 7.991 1.00 0.00 H new ATOM 0 HE ARG A 6 7.236 -11.319 8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.273 -12.375 6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 6 4.945 -13.978 6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.000 -13.347 8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.984 -14.510 7.189 1.00 0.00 H new ATOM 156 N THR A 7 1.560 -6.701 9.251 1.00 0.00 N ATOM 157 CA THR A 7 0.648 -5.680 9.787 1.00 0.00 C ATOM 158 C THR A 7 -0.729 -5.737 9.123 1.00 0.00 C ATOM 159 O THR A 7 -1.743 -5.654 9.815 1.00 0.00 O ATOM 160 CB THR A 7 1.229 -4.273 9.586 1.00 0.00 C ATOM 161 OG1 THR A 7 2.536 -4.207 10.115 1.00 0.00 O ATOM 162 CG2 THR A 7 0.380 -3.195 10.268 1.00 0.00 C ATOM 0 H THR A 7 2.356 -6.301 8.754 1.00 0.00 H new ATOM 0 HA THR A 7 0.535 -5.891 10.850 1.00 0.00 H new ATOM 0 HB THR A 7 1.236 -4.085 8.512 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.571 -3.523 10.816 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.830 -2.217 10.099 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.627 -3.208 9.852 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.333 -3.392 11.339 1.00 0.00 H new ATOM 170 N ILE A 8 -0.785 -5.863 7.792 1.00 0.00 N ATOM 171 CA ILE A 8 -2.066 -5.931 7.074 1.00 0.00 C ATOM 172 C ILE A 8 -2.836 -7.192 7.488 1.00 0.00 C ATOM 173 O ILE A 8 -4.018 -7.123 7.820 1.00 0.00 O ATOM 174 CB ILE A 8 -1.880 -5.857 5.541 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.919 -4.713 5.146 1.00 0.00 C ATOM 176 CG2 ILE A 8 -3.263 -5.662 4.891 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.896 -4.367 3.652 1.00 0.00 C ATOM 0 H ILE A 8 0.037 -5.920 7.191 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.654 -5.057 7.354 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.431 -6.784 5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.194 -3.819 5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.090 -4.984 5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.152 -5.607 3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.907 -6.503 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.710 -4.738 5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.192 -3.553 3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.588 -5.242 3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.892 -4.059 3.335 1.00 0.00 H new ATOM 189 N ALA A 9 -2.158 -8.343 7.520 1.00 0.00 N ATOM 190 CA ALA A 9 -2.721 -9.605 7.976 1.00 0.00 C ATOM 191 C ALA A 9 -3.177 -9.531 9.443 1.00 0.00 C ATOM 192 O ALA A 9 -4.297 -9.946 9.744 1.00 0.00 O ATOM 193 CB ALA A 9 -1.689 -10.712 7.749 1.00 0.00 C ATOM 0 H ALA A 9 -1.185 -8.419 7.223 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.618 -9.830 7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.097 -11.665 8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.451 -10.775 6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.783 -10.486 8.311 1.00 0.00 H new ATOM 199 N ARG A 10 -2.357 -8.938 10.332 1.00 0.00 N ATOM 200 CA ARG A 10 -2.621 -8.681 11.763 1.00 0.00 C ATOM 201 C ARG A 10 -3.973 -8.029 12.073 1.00 0.00 C ATOM 202 O ARG A 10 -4.409 -8.140 13.214 1.00 0.00 O ATOM 203 CB ARG A 10 -1.500 -7.798 12.350 1.00 0.00 C ATOM 204 CG ARG A 10 -0.363 -8.538 13.070 1.00 0.00 C ATOM 205 CD ARG A 10 -0.644 -8.694 14.573 1.00 0.00 C ATOM 206 NE ARG A 10 0.609 -8.822 15.344 1.00 0.00 N ATOM 207 CZ ARG A 10 1.306 -9.921 15.605 1.00 0.00 C ATOM 208 NH1 ARG A 10 0.914 -11.105 15.198 1.00 0.00 N ATOM 209 NH2 ARG A 10 2.425 -9.839 16.284 1.00 0.00 N ATOM 0 H ARG A 10 -1.434 -8.604 10.054 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.649 -9.668 12.225 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.068 -7.210 11.541 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.949 -7.094 13.051 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.229 -9.522 12.621 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.571 -7.994 12.930 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.207 -7.832 14.931 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.267 -9.573 14.739 1.00 0.00 H new ATOM 0 HE ARG A 10 0.987 -7.955 15.725 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.050 -11.201 14.664 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.473 -11.930 15.415 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.758 -8.932 16.610 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.962 -10.682 16.486 1.00 0.00 H new ATOM 223 N MET A 11 -4.653 -7.410 11.097 1.00 0.00 N ATOM 224 CA MET A 11 -6.047 -6.974 11.242 1.00 0.00 C ATOM 225 C MET A 11 -6.962 -8.108 11.728 1.00 0.00 C ATOM 226 O MET A 11 -7.786 -7.875 12.607 1.00 0.00 O ATOM 227 CB MET A 11 -6.599 -6.453 9.907 1.00 0.00 C ATOM 228 CG MET A 11 -5.967 -5.150 9.420 1.00 0.00 C ATOM 229 SD MET A 11 -6.563 -4.710 7.764 1.00 0.00 S ATOM 230 CE MET A 11 -5.403 -3.387 7.361 1.00 0.00 C ATOM 0 H MET A 11 -4.250 -7.198 10.184 1.00 0.00 H new ATOM 0 HA MET A 11 -6.041 -6.178 11.987 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.453 -7.219 9.145 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.674 -6.304 10.007 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.200 -4.346 10.119 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.882 -5.253 9.403 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.231 -3.370 6.285 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.818 -2.430 7.677 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.459 -3.561 7.877 1.00 0.00 H new ATOM 240 N THR A 12 -6.851 -9.310 11.135 1.00 0.00 N ATOM 241 CA THR A 12 -7.716 -10.459 11.478 1.00 0.00 C ATOM 242 C THR A 12 -7.069 -11.844 11.331 1.00 0.00 C ATOM 243 O THR A 12 -7.675 -12.830 11.743 1.00 0.00 O ATOM 244 CB THR A 12 -9.023 -10.476 10.652 1.00 0.00 C ATOM 245 OG1 THR A 12 -8.788 -10.801 9.299 1.00 0.00 O ATOM 246 CG2 THR A 12 -9.831 -9.178 10.649 1.00 0.00 C ATOM 0 H THR A 12 -6.165 -9.514 10.409 1.00 0.00 H new ATOM 0 HA THR A 12 -7.914 -10.292 12.537 1.00 0.00 H new ATOM 0 HB THR A 12 -9.608 -11.238 11.168 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.846 -10.639 9.082 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.725 -9.307 10.039 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.122 -8.928 11.669 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.224 -8.372 10.237 1.00 0.00 H new ATOM 254 N GLY A 13 -5.893 -11.969 10.707 1.00 0.00 N ATOM 255 CA GLY A 13 -5.245 -13.236 10.351 1.00 0.00 C ATOM 256 C GLY A 13 -5.948 -14.000 9.224 1.00 0.00 C ATOM 257 O GLY A 13 -5.270 -14.479 8.320 1.00 0.00 O ATOM 0 H GLY A 13 -5.344 -11.157 10.425 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.216 -13.035 10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.202 -13.872 11.235 1.00 0.00 H new ATOM 261 N ILE A 14 -7.289 -14.068 9.219 1.00 0.00 N ATOM 262 CA ILE A 14 -8.098 -14.790 8.212 1.00 0.00 C ATOM 263 C ILE A 14 -7.744 -14.354 6.783 1.00 0.00 C ATOM 264 O ILE A 14 -7.735 -15.163 5.856 1.00 0.00 O ATOM 265 CB ILE A 14 -9.631 -14.728 8.503 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.473 -13.665 7.746 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.936 -14.568 10.005 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.802 -14.009 6.283 1.00 0.00 C ATOM 0 H ILE A 14 -7.859 -13.612 9.931 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.833 -15.844 8.295 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.944 -15.697 8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.408 -13.514 8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.936 -12.717 7.767 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.015 -14.530 10.155 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -9.523 -15.415 10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.486 -13.645 10.371 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.392 -13.205 5.844 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.876 -14.129 5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.371 -14.938 6.247 1.00 0.00 H new ATOM 280 N ARG A 15 -7.398 -13.069 6.629 1.00 0.00 N ATOM 281 CA ARG A 15 -6.965 -12.446 5.380 1.00 0.00 C ATOM 282 C ARG A 15 -5.638 -13.000 4.877 1.00 0.00 C ATOM 283 O ARG A 15 -5.424 -12.978 3.673 1.00 0.00 O ATOM 284 CB ARG A 15 -6.813 -10.931 5.581 1.00 0.00 C ATOM 285 CG ARG A 15 -8.115 -10.241 6.008 1.00 0.00 C ATOM 286 CD ARG A 15 -7.810 -8.966 6.803 1.00 0.00 C ATOM 287 NE ARG A 15 -9.044 -8.408 7.380 1.00 0.00 N ATOM 288 CZ ARG A 15 -9.646 -7.265 7.078 1.00 0.00 C ATOM 289 NH1 ARG A 15 -9.108 -6.393 6.264 1.00 0.00 N ATOM 290 NH2 ARG A 15 -10.817 -6.967 7.588 1.00 0.00 N ATOM 0 H ARG A 15 -7.414 -12.410 7.408 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.730 -12.669 4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.048 -10.747 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.460 -10.482 4.653 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.709 -9.995 5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.712 -10.921 6.615 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.098 -9.188 7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.341 -8.228 6.152 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.493 -8.971 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.199 -6.583 5.841 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.597 -5.523 6.052 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.276 -7.618 8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.269 -6.085 7.347 1.00 0.00 H new ATOM 304 N GLU A 16 -4.741 -13.486 5.745 1.00 0.00 N ATOM 305 CA GLU A 16 -3.381 -13.868 5.350 1.00 0.00 C ATOM 306 C GLU A 16 -3.391 -14.931 4.249 1.00 0.00 C ATOM 307 O GLU A 16 -2.670 -14.793 3.265 1.00 0.00 O ATOM 308 CB GLU A 16 -2.558 -14.345 6.555 1.00 0.00 C ATOM 309 CG GLU A 16 -1.060 -14.226 6.232 1.00 0.00 C ATOM 310 CD GLU A 16 -0.171 -14.734 7.371 1.00 0.00 C ATOM 311 OE1 GLU A 16 -0.236 -15.953 7.645 1.00 0.00 O ATOM 312 OE2 GLU A 16 0.583 -13.902 7.927 1.00 0.00 O ATOM 0 H GLU A 16 -4.937 -13.625 6.736 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.904 -12.974 4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.800 -13.747 7.434 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.808 -15.379 6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.841 -14.791 5.326 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.818 -13.184 6.024 1.00 0.00 H new ATOM 319 N ALA A 17 -4.282 -15.923 4.372 1.00 0.00 N ATOM 320 CA ALA A 17 -4.527 -16.973 3.385 1.00 0.00 C ATOM 321 C ALA A 17 -4.915 -16.434 1.995 1.00 0.00 C ATOM 322 O ALA A 17 -4.641 -17.090 0.990 1.00 0.00 O ATOM 323 CB ALA A 17 -5.627 -17.882 3.943 1.00 0.00 C ATOM 0 H ALA A 17 -4.874 -16.016 5.197 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.599 -17.522 3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.836 -18.680 3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.296 -18.316 4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.532 -17.298 4.110 1.00 0.00 H new ATOM 329 N THR A 18 -5.511 -15.239 1.944 1.00 0.00 N ATOM 330 CA THR A 18 -5.913 -14.492 0.748 1.00 0.00 C ATOM 331 C THR A 18 -4.794 -13.542 0.291 1.00 0.00 C ATOM 332 O THR A 18 -4.456 -13.532 -0.890 1.00 0.00 O ATOM 333 CB THR A 18 -7.233 -13.764 1.064 1.00 0.00 C ATOM 334 OG1 THR A 18 -8.301 -14.673 0.944 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.560 -12.595 0.151 1.00 0.00 C ATOM 0 H THR A 18 -5.742 -14.732 2.798 1.00 0.00 H new ATOM 0 HA THR A 18 -6.081 -15.166 -0.092 1.00 0.00 H new ATOM 0 HB THR A 18 -7.101 -13.370 2.072 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.144 -14.216 1.146 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.507 -12.150 0.455 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.769 -11.848 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.638 -12.947 -0.877 1.00 0.00 H new ATOM 343 N LEU A 19 -4.168 -12.802 1.213 1.00 0.00 N ATOM 344 CA LEU A 19 -3.019 -11.924 0.976 1.00 0.00 C ATOM 345 C LEU A 19 -1.848 -12.690 0.330 1.00 0.00 C ATOM 346 O LEU A 19 -1.388 -12.332 -0.756 1.00 0.00 O ATOM 347 CB LEU A 19 -2.576 -11.298 2.316 1.00 0.00 C ATOM 348 CG LEU A 19 -3.561 -10.332 3.005 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.093 -10.054 4.441 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.682 -9.016 2.249 1.00 0.00 C ATOM 0 H LEU A 19 -4.463 -12.800 2.189 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.318 -11.139 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.357 -12.109 3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.642 -10.763 2.146 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.542 -10.808 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.791 -9.371 4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.055 -10.990 4.999 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.101 -9.604 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.385 -8.363 2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.706 -8.533 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.042 -9.209 1.238 1.00 0.00 H new ATOM 362 N ARG A 20 -1.383 -13.771 0.979 1.00 0.00 N ATOM 363 CA ARG A 20 -0.306 -14.639 0.472 1.00 0.00 C ATOM 364 C ARG A 20 -0.692 -15.356 -0.818 1.00 0.00 C ATOM 365 O ARG A 20 0.175 -15.691 -1.620 1.00 0.00 O ATOM 366 CB ARG A 20 0.134 -15.642 1.559 1.00 0.00 C ATOM 367 CG ARG A 20 -0.837 -16.814 1.822 1.00 0.00 C ATOM 368 CD ARG A 20 -0.597 -18.047 0.938 1.00 0.00 C ATOM 369 NE ARG A 20 -1.581 -19.101 1.235 1.00 0.00 N ATOM 370 CZ ARG A 20 -1.925 -20.120 0.458 1.00 0.00 C ATOM 371 NH1 ARG A 20 -1.418 -20.279 -0.743 1.00 0.00 N ATOM 372 NH2 ARG A 20 -2.787 -21.012 0.885 1.00 0.00 N ATOM 0 H ARG A 20 -1.749 -14.071 1.883 1.00 0.00 H new ATOM 0 HA ARG A 20 0.540 -13.997 0.226 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.103 -16.054 1.277 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.279 -15.098 2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.755 -17.110 2.868 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.858 -16.465 1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.664 -17.766 -0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.411 -18.427 1.102 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.050 -19.041 2.139 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.739 -19.608 -1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.703 -21.073 -1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.194 -20.923 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.050 -21.795 0.286 1.00 0.00 H new ATOM 386 N ALA A 21 -1.987 -15.627 -1.007 1.00 0.00 N ATOM 387 CA ALA A 21 -2.507 -16.180 -2.244 1.00 0.00 C ATOM 388 C ALA A 21 -2.341 -15.166 -3.373 1.00 0.00 C ATOM 389 O ALA A 21 -1.725 -15.502 -4.383 1.00 0.00 O ATOM 390 CB ALA A 21 -3.964 -16.606 -2.061 1.00 0.00 C ATOM 0 H ALA A 21 -2.701 -15.465 -0.297 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.942 -17.072 -2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.342 -17.019 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.026 -17.362 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.563 -15.741 -1.778 1.00 0.00 H new ATOM 396 N TRP A 22 -2.837 -13.933 -3.200 1.00 0.00 N ATOM 397 CA TRP A 22 -2.722 -12.874 -4.201 1.00 0.00 C ATOM 398 C TRP A 22 -1.296 -12.650 -4.689 1.00 0.00 C ATOM 399 O TRP A 22 -1.121 -12.448 -5.886 1.00 0.00 O ATOM 400 CB TRP A 22 -3.273 -11.560 -3.678 1.00 0.00 C ATOM 401 CG TRP A 22 -4.709 -11.495 -3.287 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.712 -12.263 -3.765 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.324 -10.545 -2.372 1.00 0.00 C ATOM 404 NE1 TRP A 22 -6.908 -11.822 -3.240 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.729 -10.747 -2.401 1.00 0.00 C ATOM 406 CE3 TRP A 22 -4.845 -9.510 -1.544 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.614 -9.951 -1.669 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.727 -8.699 -0.810 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.112 -8.920 -0.859 1.00 0.00 C ATOM 0 H TRP A 22 -3.331 -13.645 -2.355 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.313 -13.219 -5.049 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.680 -11.275 -2.809 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.103 -10.802 -4.443 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.596 -13.090 -4.449 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.814 -12.241 -3.448 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.781 -9.337 -1.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.678 -10.128 -1.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.335 -7.897 -0.202 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.784 -8.304 -0.280 1.00 0.00 H new ATOM 420 N GLU A 23 -0.297 -12.785 -3.813 1.00 0.00 N ATOM 421 CA GLU A 23 1.139 -12.760 -4.134 1.00 0.00 C ATOM 422 C GLU A 23 1.520 -13.670 -5.320 1.00 0.00 C ATOM 423 O GLU A 23 2.390 -13.311 -6.110 1.00 0.00 O ATOM 424 CB GLU A 23 1.919 -13.126 -2.854 1.00 0.00 C ATOM 425 CG GLU A 23 3.098 -12.185 -2.544 1.00 0.00 C ATOM 426 CD GLU A 23 4.449 -12.535 -3.197 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.747 -13.742 -3.347 1.00 0.00 O ATOM 428 OE2 GLU A 23 5.257 -11.589 -3.396 1.00 0.00 O ATOM 0 H GLU A 23 -0.470 -12.921 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 23 1.405 -11.756 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.231 -13.120 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.296 -14.144 -2.950 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.821 -11.177 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.238 -12.159 -1.463 1.00 0.00 H new ATOM 435 N ARG A 24 0.812 -14.800 -5.499 1.00 0.00 N ATOM 436 CA ARG A 24 0.929 -15.726 -6.641 1.00 0.00 C ATOM 437 C ARG A 24 -0.306 -15.753 -7.560 1.00 0.00 C ATOM 438 O ARG A 24 -0.236 -16.355 -8.628 1.00 0.00 O ATOM 439 CB ARG A 24 1.247 -17.136 -6.108 1.00 0.00 C ATOM 440 CG ARG A 24 2.720 -17.272 -5.689 1.00 0.00 C ATOM 441 CD ARG A 24 3.002 -18.541 -4.869 1.00 0.00 C ATOM 442 NE ARG A 24 3.155 -19.762 -5.689 1.00 0.00 N ATOM 443 CZ ARG A 24 2.232 -20.656 -6.026 1.00 0.00 C ATOM 444 NH1 ARG A 24 0.958 -20.473 -5.774 1.00 0.00 N ATOM 445 NH2 ARG A 24 2.580 -21.772 -6.626 1.00 0.00 N ATOM 0 H ARG A 24 0.112 -15.106 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 24 1.740 -15.360 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.605 -17.355 -5.255 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.018 -17.875 -6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.346 -17.277 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.007 -16.398 -5.104 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.910 -18.391 -4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.189 -18.691 -4.159 1.00 0.00 H new ATOM 0 HE ARG A 24 4.095 -19.942 -6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.648 -19.622 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.277 -21.182 -6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.562 -21.954 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.868 -22.456 -6.883 1.00 0.00 H new ATOM 459 N ARG A 25 -1.425 -15.126 -7.169 1.00 0.00 N ATOM 460 CA ARG A 25 -2.719 -15.162 -7.876 1.00 0.00 C ATOM 461 C ARG A 25 -2.979 -13.914 -8.741 1.00 0.00 C ATOM 462 O ARG A 25 -3.639 -14.046 -9.766 1.00 0.00 O ATOM 463 CB ARG A 25 -3.840 -15.427 -6.846 1.00 0.00 C ATOM 464 CG ARG A 25 -5.091 -16.131 -7.390 1.00 0.00 C ATOM 465 CD ARG A 25 -6.106 -16.424 -6.266 1.00 0.00 C ATOM 466 NE ARG A 25 -5.646 -17.498 -5.360 1.00 0.00 N ATOM 467 CZ ARG A 25 -6.312 -18.043 -4.346 1.00 0.00 C ATOM 468 NH1 ARG A 25 -7.517 -17.648 -4.004 1.00 0.00 N ATOM 469 NH2 ARG A 25 -5.761 -19.000 -3.636 1.00 0.00 N ATOM 0 H ARG A 25 -1.458 -14.559 -6.322 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.698 -15.980 -8.597 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.429 -16.030 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.142 -14.474 -6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.559 -15.507 -8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.803 -17.064 -7.875 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.279 -15.515 -5.690 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.061 -16.708 -6.707 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.709 -17.863 -5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.974 -16.898 -4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.996 -18.091 -3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.821 -19.326 -3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.273 -19.417 -2.858 1.00 0.00 H new ATOM 483 N TYR A 26 -2.450 -12.736 -8.361 1.00 0.00 N ATOM 484 CA TYR A 26 -2.585 -11.460 -9.101 1.00 0.00 C ATOM 485 C TYR A 26 -1.410 -10.486 -8.894 1.00 0.00 C ATOM 486 O TYR A 26 -0.995 -9.805 -9.828 1.00 0.00 O ATOM 487 CB TYR A 26 -3.861 -10.700 -8.678 1.00 0.00 C ATOM 488 CG TYR A 26 -5.123 -11.530 -8.634 1.00 0.00 C ATOM 489 CD1 TYR A 26 -5.862 -11.774 -9.806 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.507 -12.119 -7.417 1.00 0.00 C ATOM 491 CE1 TYR A 26 -6.967 -12.646 -9.774 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.595 -13.003 -7.384 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.317 -13.280 -8.563 1.00 0.00 C ATOM 494 OH TYR A 26 -8.329 -14.187 -8.539 1.00 0.00 O ATOM 0 H TYR A 26 -1.901 -12.639 -7.507 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.617 -11.763 -10.147 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.696 -10.267 -7.691 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.015 -9.870 -9.368 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.582 -11.292 -10.731 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.966 -11.892 -6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.542 -12.828 -10.670 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.880 -13.472 -6.454 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.288 -14.701 -7.705 1.00 0.00 H new ATOM 504 N GLY A 27 -0.922 -10.378 -7.653 1.00 0.00 N ATOM 505 CA GLY A 27 0.148 -9.495 -7.198 1.00 0.00 C ATOM 506 C GLY A 27 -0.292 -8.410 -6.207 1.00 0.00 C ATOM 507 O GLY A 27 0.571 -7.860 -5.540 1.00 0.00 O ATOM 0 H GLY A 27 -1.292 -10.946 -6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.926 -10.100 -6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.597 -9.014 -8.067 1.00 0.00 H new ATOM 511 N PHE A 28 -1.589 -8.092 -6.095 1.00 0.00 N ATOM 512 CA PHE A 28 -2.140 -7.085 -5.168 1.00 0.00 C ATOM 513 C PHE A 28 -2.153 -7.582 -3.701 1.00 0.00 C ATOM 514 O PHE A 28 -2.469 -8.745 -3.487 1.00 0.00 O ATOM 515 CB PHE A 28 -3.568 -6.760 -5.634 1.00 0.00 C ATOM 516 CG PHE A 28 -4.436 -5.974 -4.666 1.00 0.00 C ATOM 517 CD1 PHE A 28 -4.469 -4.568 -4.711 1.00 0.00 C ATOM 518 CD2 PHE A 28 -5.265 -6.658 -3.753 1.00 0.00 C ATOM 519 CE1 PHE A 28 -5.356 -3.859 -3.882 1.00 0.00 C ATOM 520 CE2 PHE A 28 -6.175 -5.951 -2.951 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.225 -4.549 -3.022 1.00 0.00 C ATOM 0 H PHE A 28 -2.308 -8.540 -6.663 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.508 -6.197 -5.185 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.503 -6.199 -6.566 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.074 -7.698 -5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.813 -4.034 -5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.199 -7.733 -3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.369 -2.779 -3.907 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -6.834 -6.483 -2.282 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.932 -4.002 -2.415 1.00 0.00 H new ATOM 531 N PRO A 29 -1.884 -6.743 -2.678 1.00 0.00 N ATOM 532 CA PRO A 29 -1.263 -5.431 -2.789 1.00 0.00 C ATOM 533 C PRO A 29 0.159 -5.595 -3.313 1.00 0.00 C ATOM 534 O PRO A 29 0.887 -6.502 -2.892 1.00 0.00 O ATOM 535 CB PRO A 29 -1.262 -4.839 -1.384 1.00 0.00 C ATOM 536 CG PRO A 29 -1.222 -6.073 -0.481 1.00 0.00 C ATOM 537 CD PRO A 29 -1.995 -7.124 -1.276 1.00 0.00 C ATOM 0 HA PRO A 29 -1.797 -4.777 -3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.399 -4.193 -1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.151 -4.236 -1.201 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.199 -6.392 -0.283 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.688 -5.878 0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.581 -8.119 -1.110 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.039 -7.157 -0.964 1.00 0.00 H new ATOM 545 N ARG A 30 0.536 -4.744 -4.269 1.00 0.00 N ATOM 546 CA ARG A 30 1.773 -4.920 -5.018 1.00 0.00 C ATOM 547 C ARG A 30 2.954 -4.411 -4.194 1.00 0.00 C ATOM 548 O ARG A 30 2.939 -3.256 -3.767 1.00 0.00 O ATOM 549 CB ARG A 30 1.672 -4.291 -6.416 1.00 0.00 C ATOM 550 CG ARG A 30 2.182 -5.304 -7.452 1.00 0.00 C ATOM 551 CD ARG A 30 1.964 -4.826 -8.886 1.00 0.00 C ATOM 552 NE ARG A 30 2.291 -5.898 -9.844 1.00 0.00 N ATOM 553 CZ ARG A 30 2.081 -5.886 -11.154 1.00 0.00 C ATOM 554 NH1 ARG A 30 1.578 -4.834 -11.758 1.00 0.00 N ATOM 555 NH2 ARG A 30 2.377 -6.936 -11.884 1.00 0.00 N ATOM 0 H ARG A 30 -0.004 -3.923 -4.541 1.00 0.00 H new ATOM 0 HA ARG A 30 1.947 -5.981 -5.195 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.640 -4.017 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.261 -3.375 -6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.245 -5.483 -7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.672 -6.256 -7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.927 -4.516 -9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.586 -3.953 -9.083 1.00 0.00 H new ATOM 0 HE ARG A 30 2.724 -6.737 -9.459 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.340 -4.002 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.426 -4.849 -12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.771 -7.768 -11.445 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.213 -6.920 -12.891 1.00 0.00 H new ATOM 569 N PRO A 31 3.962 -5.259 -3.915 1.00 0.00 N ATOM 570 CA PRO A 31 5.079 -4.873 -3.070 1.00 0.00 C ATOM 571 C PRO A 31 5.913 -3.804 -3.773 1.00 0.00 C ATOM 572 O PRO A 31 6.573 -4.076 -4.777 1.00 0.00 O ATOM 573 CB PRO A 31 5.847 -6.161 -2.796 1.00 0.00 C ATOM 574 CG PRO A 31 5.538 -7.051 -3.995 1.00 0.00 C ATOM 575 CD PRO A 31 4.110 -6.646 -4.350 1.00 0.00 C ATOM 0 HA PRO A 31 4.771 -4.423 -2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.917 -5.974 -2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.525 -6.625 -1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.227 -6.873 -4.821 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.609 -8.109 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.933 -6.739 -5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.387 -7.290 -3.850 1.00 0.00 H new ATOM 583 N LEU A 32 5.845 -2.573 -3.258 1.00 0.00 N ATOM 584 CA LEU A 32 6.678 -1.478 -3.743 1.00 0.00 C ATOM 585 C LEU A 32 8.169 -1.778 -3.515 1.00 0.00 C ATOM 586 O LEU A 32 8.554 -2.634 -2.713 1.00 0.00 O ATOM 587 CB LEU A 32 6.259 -0.106 -3.159 1.00 0.00 C ATOM 588 CG LEU A 32 5.662 -0.076 -1.733 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.964 1.255 -1.040 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.135 -0.245 -1.771 1.00 0.00 C ATOM 0 H LEU A 32 5.215 -2.312 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 32 6.518 -1.403 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.135 0.542 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.528 0.336 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 32 6.118 -0.899 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.533 1.250 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.043 1.392 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.531 2.072 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.741 -0.220 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.694 0.565 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.886 -1.200 -2.234 1.00 0.00 H new ATOM 602 N ARG A 33 9.009 -1.019 -4.229 1.00 0.00 N ATOM 603 CA ARG A 33 10.464 -0.996 -4.072 1.00 0.00 C ATOM 604 C ARG A 33 10.834 -0.868 -2.589 1.00 0.00 C ATOM 605 O ARG A 33 10.324 0.000 -1.883 1.00 0.00 O ATOM 606 CB ARG A 33 11.039 0.173 -4.885 1.00 0.00 C ATOM 607 CG ARG A 33 11.070 -0.073 -6.404 1.00 0.00 C ATOM 608 CD ARG A 33 12.290 -0.907 -6.833 1.00 0.00 C ATOM 609 NE ARG A 33 12.642 -0.681 -8.250 1.00 0.00 N ATOM 610 CZ ARG A 33 13.235 0.395 -8.760 1.00 0.00 C ATOM 611 NH1 ARG A 33 13.583 1.418 -8.011 1.00 0.00 N ATOM 612 NH2 ARG A 33 13.489 0.470 -10.045 1.00 0.00 N ATOM 0 H ARG A 33 8.681 -0.383 -4.956 1.00 0.00 H new ATOM 0 HA ARG A 33 10.890 -1.928 -4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.448 1.066 -4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.053 0.378 -4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.157 -0.586 -6.706 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.085 0.884 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.142 -0.654 -6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.080 -1.965 -6.676 1.00 0.00 H new ATOM 0 HE ARG A 33 12.406 -1.427 -8.905 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.400 1.401 -7.008 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.036 2.228 -8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.231 -0.301 -10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.944 1.299 -10.427 1.00 0.00 H new ATOM 626 N SER A 34 11.736 -1.742 -2.147 1.00 0.00 N ATOM 627 CA SER A 34 12.287 -1.803 -0.792 1.00 0.00 C ATOM 628 C SER A 34 13.815 -1.933 -0.873 1.00 0.00 C ATOM 629 O SER A 34 14.370 -1.998 -1.972 1.00 0.00 O ATOM 630 CB SER A 34 11.618 -2.941 -0.002 1.00 0.00 C ATOM 631 OG SER A 34 11.776 -4.194 -0.639 1.00 0.00 O ATOM 0 H SER A 34 12.123 -2.464 -2.754 1.00 0.00 H new ATOM 0 HA SER A 34 12.071 -0.884 -0.246 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.046 -2.987 0.999 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.556 -2.725 0.115 1.00 0.00 H new ATOM 0 HG SER A 34 11.339 -4.890 -0.105 1.00 0.00 H new ATOM 637 N GLU A 35 14.502 -1.898 0.273 1.00 0.00 N ATOM 638 CA GLU A 35 15.967 -2.006 0.323 1.00 0.00 C ATOM 639 C GLU A 35 16.477 -3.447 0.072 1.00 0.00 C ATOM 640 O GLU A 35 15.693 -4.350 -0.209 1.00 0.00 O ATOM 641 CB GLU A 35 16.467 -1.465 1.672 1.00 0.00 C ATOM 642 CG GLU A 35 17.738 -0.622 1.537 1.00 0.00 C ATOM 643 CD GLU A 35 18.655 -0.913 2.722 1.00 0.00 C ATOM 644 OE1 GLU A 35 19.297 -1.989 2.655 1.00 0.00 O ATOM 645 OE2 GLU A 35 18.656 -0.107 3.677 1.00 0.00 O ATOM 0 H GLU A 35 14.063 -1.795 1.188 1.00 0.00 H new ATOM 0 HA GLU A 35 16.375 -1.404 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.683 -0.862 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.660 -2.301 2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.247 -0.855 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 35 17.486 0.438 1.508 1.00 0.00 H new ATOM 652 N GLY A 36 17.795 -3.681 0.184 1.00 0.00 N ATOM 653 CA GLY A 36 18.431 -4.957 -0.172 1.00 0.00 C ATOM 654 C GLY A 36 18.107 -6.101 0.795 1.00 0.00 C ATOM 655 O GLY A 36 17.457 -7.069 0.411 1.00 0.00 O ATOM 0 H GLY A 36 18.454 -2.982 0.528 1.00 0.00 H new ATOM 0 HA2 GLY A 36 18.115 -5.242 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.511 -4.817 -0.205 1.00 0.00 H new ATOM 659 N ASN A 37 18.566 -5.999 2.050 1.00 0.00 N ATOM 660 CA ASN A 37 18.222 -6.957 3.116 1.00 0.00 C ATOM 661 C ASN A 37 16.850 -6.675 3.761 1.00 0.00 C ATOM 662 O ASN A 37 16.376 -7.465 4.579 1.00 0.00 O ATOM 663 CB ASN A 37 19.313 -6.938 4.202 1.00 0.00 C ATOM 664 CG ASN A 37 20.614 -7.611 3.791 1.00 0.00 C ATOM 665 OD1 ASN A 37 20.688 -8.405 2.868 1.00 0.00 O ATOM 666 ND2 ASN A 37 21.687 -7.334 4.503 1.00 0.00 N ATOM 0 H ASN A 37 19.187 -5.250 2.357 1.00 0.00 H new ATOM 0 HA ASN A 37 18.161 -7.940 2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 37 19.522 -5.903 4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.929 -7.430 5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 37 22.576 -7.783 4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 37 21.629 -6.671 5.276 1.00 0.00 H new ATOM 673 N ASN A 38 16.229 -5.539 3.429 1.00 0.00 N ATOM 674 CA ASN A 38 14.891 -5.167 3.874 1.00 0.00 C ATOM 675 C ASN A 38 13.815 -6.055 3.218 1.00 0.00 C ATOM 676 O ASN A 38 14.097 -6.888 2.357 1.00 0.00 O ATOM 677 CB ASN A 38 14.724 -3.672 3.565 1.00 0.00 C ATOM 678 CG ASN A 38 13.444 -3.020 4.051 1.00 0.00 C ATOM 679 OD1 ASN A 38 12.771 -2.326 3.310 1.00 0.00 O ATOM 680 ND2 ASN A 38 13.078 -3.210 5.305 1.00 0.00 N ATOM 0 H ASN A 38 16.658 -4.837 2.827 1.00 0.00 H new ATOM 0 HA ASN A 38 14.764 -5.331 4.944 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.567 -3.137 4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.787 -3.538 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.226 -2.774 5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.647 -3.792 5.920 1.00 0.00 H new ATOM 687 N TYR A 39 12.567 -5.901 3.661 1.00 0.00 N ATOM 688 CA TYR A 39 11.460 -6.784 3.301 1.00 0.00 C ATOM 689 C TYR A 39 10.363 -5.992 2.586 1.00 0.00 C ATOM 690 O TYR A 39 10.273 -4.771 2.723 1.00 0.00 O ATOM 691 CB TYR A 39 10.922 -7.518 4.549 1.00 0.00 C ATOM 692 CG TYR A 39 11.815 -7.497 5.784 1.00 0.00 C ATOM 693 CD1 TYR A 39 13.095 -8.089 5.756 1.00 0.00 C ATOM 694 CD2 TYR A 39 11.387 -6.818 6.942 1.00 0.00 C ATOM 695 CE1 TYR A 39 13.950 -7.985 6.870 1.00 0.00 C ATOM 696 CE2 TYR A 39 12.221 -6.744 8.071 1.00 0.00 C ATOM 697 CZ TYR A 39 13.510 -7.318 8.035 1.00 0.00 C ATOM 698 OH TYR A 39 14.325 -7.202 9.116 1.00 0.00 O ATOM 0 H TYR A 39 12.294 -5.146 4.290 1.00 0.00 H new ATOM 0 HA TYR A 39 11.822 -7.545 2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 39 9.960 -7.080 4.815 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.735 -8.558 4.280 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.421 -8.624 4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.413 -6.352 6.962 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.940 -8.414 6.834 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.876 -6.248 8.966 1.00 0.00 H new ATOM 0 HH TYR A 39 13.859 -6.713 9.826 1.00 0.00 H new ATOM 708 N ARG A 40 9.494 -6.701 1.856 1.00 0.00 N ATOM 709 CA ARG A 40 8.383 -6.090 1.122 1.00 0.00 C ATOM 710 C ARG A 40 7.439 -5.329 2.066 1.00 0.00 C ATOM 711 O ARG A 40 7.033 -5.836 3.116 1.00 0.00 O ATOM 712 CB ARG A 40 7.639 -7.146 0.283 1.00 0.00 C ATOM 713 CG ARG A 40 8.507 -7.713 -0.866 1.00 0.00 C ATOM 714 CD ARG A 40 8.983 -9.160 -0.665 1.00 0.00 C ATOM 715 NE ARG A 40 8.109 -10.156 -1.333 1.00 0.00 N ATOM 716 CZ ARG A 40 8.418 -11.422 -1.600 1.00 0.00 C ATOM 717 NH1 ARG A 40 9.546 -11.948 -1.174 1.00 0.00 N ATOM 718 NH2 ARG A 40 7.614 -12.187 -2.303 1.00 0.00 N ATOM 0 H ARG A 40 9.543 -7.715 1.758 1.00 0.00 H new ATOM 0 HA ARG A 40 8.794 -5.354 0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.323 -7.963 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.735 -6.702 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.936 -7.659 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.380 -7.073 -0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.998 -9.260 -1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.024 -9.378 0.402 1.00 0.00 H new ATOM 0 HE ARG A 40 7.181 -9.839 -1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.199 -11.383 -0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.768 -12.920 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.733 -11.813 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.871 -13.155 -2.496 1.00 0.00 H new ATOM 732 N VAL A 41 7.095 -4.105 1.660 1.00 0.00 N ATOM 733 CA VAL A 41 6.259 -3.140 2.385 1.00 0.00 C ATOM 734 C VAL A 41 5.142 -2.604 1.484 1.00 0.00 C ATOM 735 O VAL A 41 5.173 -2.771 0.263 1.00 0.00 O ATOM 736 CB VAL A 41 7.102 -1.976 2.963 1.00 0.00 C ATOM 737 CG1 VAL A 41 7.863 -2.413 4.219 1.00 0.00 C ATOM 738 CG2 VAL A 41 8.092 -1.373 1.954 1.00 0.00 C ATOM 0 H VAL A 41 7.411 -3.737 0.763 1.00 0.00 H new ATOM 0 HA VAL A 41 5.804 -3.666 3.224 1.00 0.00 H new ATOM 0 HB VAL A 41 6.382 -1.198 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.445 -1.575 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.153 -2.739 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.532 -3.237 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.647 -0.564 2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.787 -2.144 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.545 -0.983 1.096 1.00 0.00 H new ATOM 748 N TYR A 42 4.164 -1.951 2.112 1.00 0.00 N ATOM 749 CA TYR A 42 2.948 -1.411 1.522 1.00 0.00 C ATOM 750 C TYR A 42 2.610 -0.033 2.091 1.00 0.00 C ATOM 751 O TYR A 42 3.011 0.318 3.205 1.00 0.00 O ATOM 752 CB TYR A 42 1.789 -2.366 1.796 1.00 0.00 C ATOM 753 CG TYR A 42 2.031 -3.756 1.256 1.00 0.00 C ATOM 754 CD1 TYR A 42 2.216 -3.948 -0.128 1.00 0.00 C ATOM 755 CD2 TYR A 42 2.109 -4.846 2.144 1.00 0.00 C ATOM 756 CE1 TYR A 42 2.451 -5.240 -0.623 1.00 0.00 C ATOM 757 CE2 TYR A 42 2.306 -6.137 1.633 1.00 0.00 C ATOM 758 CZ TYR A 42 2.467 -6.346 0.249 1.00 0.00 C ATOM 759 OH TYR A 42 2.588 -7.607 -0.243 1.00 0.00 O ATOM 0 H TYR A 42 4.208 -1.776 3.116 1.00 0.00 H new ATOM 0 HA TYR A 42 3.110 -1.304 0.449 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.619 -2.424 2.871 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.879 -1.962 1.351 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.177 -3.106 -0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.018 -4.689 3.209 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.621 -5.387 -1.679 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.335 -6.980 2.308 1.00 0.00 H new ATOM 0 HH TYR A 42 3.012 -8.181 0.429 1.00 0.00 H new ATOM 769 N SER A 43 1.812 0.720 1.331 1.00 0.00 N ATOM 770 CA SER A 43 1.337 2.059 1.677 1.00 0.00 C ATOM 771 C SER A 43 -0.095 2.033 2.225 1.00 0.00 C ATOM 772 O SER A 43 -0.847 1.081 2.007 1.00 0.00 O ATOM 773 CB SER A 43 1.392 2.943 0.428 1.00 0.00 C ATOM 774 OG SER A 43 2.710 3.140 -0.034 1.00 0.00 O ATOM 0 H SER A 43 1.467 0.402 0.425 1.00 0.00 H new ATOM 0 HA SER A 43 1.982 2.459 2.459 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.797 2.487 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.940 3.909 0.650 1.00 0.00 H new ATOM 0 HG SER A 43 2.695 3.708 -0.832 1.00 0.00 H new ATOM 780 N ARG A 44 -0.493 3.129 2.887 1.00 0.00 N ATOM 781 CA ARG A 44 -1.849 3.355 3.415 1.00 0.00 C ATOM 782 C ARG A 44 -2.945 3.180 2.344 1.00 0.00 C ATOM 783 O ARG A 44 -3.982 2.597 2.637 1.00 0.00 O ATOM 784 CB ARG A 44 -1.893 4.754 4.052 1.00 0.00 C ATOM 785 CG ARG A 44 -3.112 5.015 4.956 1.00 0.00 C ATOM 786 CD ARG A 44 -2.922 4.550 6.413 1.00 0.00 C ATOM 787 NE ARG A 44 -3.469 5.551 7.350 1.00 0.00 N ATOM 788 CZ ARG A 44 -3.446 5.536 8.677 1.00 0.00 C ATOM 789 NH1 ARG A 44 -2.981 4.515 9.358 1.00 0.00 N ATOM 790 NH2 ARG A 44 -3.895 6.570 9.350 1.00 0.00 N ATOM 0 H ARG A 44 0.138 3.907 3.076 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.063 2.597 4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.986 4.899 4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.882 5.500 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.333 6.082 4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.980 4.508 4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.420 3.592 6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.863 4.394 6.616 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.923 6.358 6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.621 3.696 8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.980 4.540 10.378 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.260 7.382 8.853 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.878 6.561 10.370 1.00 0.00 H new ATOM 804 N GLU A 45 -2.678 3.631 1.114 1.00 0.00 N ATOM 805 CA GLU A 45 -3.503 3.460 -0.096 1.00 0.00 C ATOM 806 C GLU A 45 -3.805 1.980 -0.414 1.00 0.00 C ATOM 807 O GLU A 45 -4.964 1.594 -0.583 1.00 0.00 O ATOM 808 CB GLU A 45 -2.828 4.163 -1.299 1.00 0.00 C ATOM 809 CG GLU A 45 -1.316 3.872 -1.403 1.00 0.00 C ATOM 810 CD GLU A 45 -0.615 4.336 -2.682 1.00 0.00 C ATOM 811 OE1 GLU A 45 -1.249 4.298 -3.757 1.00 0.00 O ATOM 812 OE2 GLU A 45 0.593 4.652 -2.550 1.00 0.00 O ATOM 0 H GLU A 45 -1.827 4.159 0.920 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.467 3.929 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.317 3.844 -2.219 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.979 5.239 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.820 4.341 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.169 2.797 -1.305 1.00 0.00 H new ATOM 819 N GLU A 46 -2.773 1.129 -0.456 1.00 0.00 N ATOM 820 CA GLU A 46 -2.934 -0.311 -0.642 1.00 0.00 C ATOM 821 C GLU A 46 -3.633 -0.916 0.576 1.00 0.00 C ATOM 822 O GLU A 46 -4.557 -1.704 0.408 1.00 0.00 O ATOM 823 CB GLU A 46 -1.574 -0.987 -0.900 1.00 0.00 C ATOM 824 CG GLU A 46 -1.063 -0.829 -2.345 1.00 0.00 C ATOM 825 CD GLU A 46 -1.736 -1.797 -3.337 1.00 0.00 C ATOM 826 OE1 GLU A 46 -2.983 -1.847 -3.359 1.00 0.00 O ATOM 827 OE2 GLU A 46 -0.998 -2.512 -4.057 1.00 0.00 O ATOM 0 H GLU A 46 -1.801 1.424 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.556 -0.487 -1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.836 -0.569 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.657 -2.049 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.235 0.196 -2.674 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.015 -0.993 -2.362 1.00 0.00 H new ATOM 834 N VAL A 47 -3.259 -0.511 1.799 1.00 0.00 N ATOM 835 CA VAL A 47 -3.940 -0.927 3.032 1.00 0.00 C ATOM 836 C VAL A 47 -5.447 -0.667 2.976 1.00 0.00 C ATOM 837 O VAL A 47 -6.202 -1.599 3.244 1.00 0.00 O ATOM 838 CB VAL A 47 -3.282 -0.298 4.279 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.169 -0.341 5.532 1.00 0.00 C ATOM 840 CG2 VAL A 47 -1.983 -1.042 4.602 1.00 0.00 C ATOM 0 H VAL A 47 -2.472 0.117 1.960 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.821 -2.007 3.118 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.105 0.748 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.641 0.118 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.093 0.205 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.403 -1.377 5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.519 -0.598 5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.204 -2.091 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.301 -0.967 3.755 1.00 0.00 H new ATOM 850 N GLU A 48 -5.914 0.546 2.652 1.00 0.00 N ATOM 851 CA GLU A 48 -7.357 0.813 2.582 1.00 0.00 C ATOM 852 C GLU A 48 -8.057 -0.009 1.493 1.00 0.00 C ATOM 853 O GLU A 48 -9.103 -0.601 1.776 1.00 0.00 O ATOM 854 CB GLU A 48 -7.684 2.311 2.482 1.00 0.00 C ATOM 855 CG GLU A 48 -7.219 3.011 1.203 1.00 0.00 C ATOM 856 CD GLU A 48 -7.680 4.467 1.197 1.00 0.00 C ATOM 857 OE1 GLU A 48 -8.901 4.673 1.005 1.00 0.00 O ATOM 858 OE2 GLU A 48 -6.816 5.341 1.433 1.00 0.00 O ATOM 0 H GLU A 48 -5.323 1.349 2.437 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.767 0.476 3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.763 2.434 2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.235 2.819 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.132 2.966 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.618 2.493 0.331 1.00 0.00 H new ATOM 865 N ALA A 49 -7.460 -0.110 0.294 1.00 0.00 N ATOM 866 CA ALA A 49 -7.964 -0.942 -0.793 1.00 0.00 C ATOM 867 C ALA A 49 -8.094 -2.402 -0.342 1.00 0.00 C ATOM 868 O ALA A 49 -9.186 -2.965 -0.366 1.00 0.00 O ATOM 869 CB ALA A 49 -7.042 -0.797 -2.010 1.00 0.00 C ATOM 0 H ALA A 49 -6.605 0.392 0.057 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.962 -0.609 -1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.415 -1.417 -2.825 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.020 0.245 -2.328 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.034 -1.116 -1.743 1.00 0.00 H new ATOM 875 N VAL A 50 -6.996 -3.000 0.127 1.00 0.00 N ATOM 876 CA VAL A 50 -6.920 -4.370 0.648 1.00 0.00 C ATOM 877 C VAL A 50 -7.924 -4.596 1.768 1.00 0.00 C ATOM 878 O VAL A 50 -8.643 -5.592 1.748 1.00 0.00 O ATOM 879 CB VAL A 50 -5.498 -4.649 1.152 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.391 -5.943 1.964 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.530 -4.752 -0.021 1.00 0.00 C ATOM 0 H VAL A 50 -6.095 -2.523 0.156 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.165 -5.058 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.244 -3.812 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.361 -6.083 2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.043 -5.881 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.693 -6.787 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.525 -4.950 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.840 -5.565 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.532 -3.815 -0.578 1.00 0.00 H new ATOM 891 N ARG A 51 -7.984 -3.680 2.741 1.00 0.00 N ATOM 892 CA ARG A 51 -8.918 -3.747 3.862 1.00 0.00 C ATOM 893 C ARG A 51 -10.369 -3.743 3.379 1.00 0.00 C ATOM 894 O ARG A 51 -11.166 -4.502 3.934 1.00 0.00 O ATOM 895 CB ARG A 51 -8.580 -2.627 4.857 1.00 0.00 C ATOM 896 CG ARG A 51 -9.411 -2.602 6.147 1.00 0.00 C ATOM 897 CD ARG A 51 -10.785 -1.931 5.975 1.00 0.00 C ATOM 898 NE ARG A 51 -11.034 -0.937 7.037 1.00 0.00 N ATOM 899 CZ ARG A 51 -10.556 0.302 7.089 1.00 0.00 C ATOM 900 NH1 ARG A 51 -9.847 0.818 6.110 1.00 0.00 N ATOM 901 NH2 ARG A 51 -10.776 1.049 8.146 1.00 0.00 N ATOM 0 H ARG A 51 -7.376 -2.862 2.769 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.809 -4.693 4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.528 -2.713 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.702 -1.669 4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.555 -3.624 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.852 -2.076 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.835 -1.445 5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.567 -2.690 5.994 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.633 -1.230 7.809 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.648 0.264 5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.496 1.773 6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.315 0.679 8.929 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.408 2.000 8.184 1.00 0.00 H new ATOM 915 N ARG A 52 -10.696 -2.948 2.346 1.00 0.00 N ATOM 916 CA ARG A 52 -11.990 -2.994 1.655 1.00 0.00 C ATOM 917 C ARG A 52 -12.206 -4.342 0.967 1.00 0.00 C ATOM 918 O ARG A 52 -13.190 -4.999 1.292 1.00 0.00 O ATOM 919 CB ARG A 52 -12.137 -1.824 0.664 1.00 0.00 C ATOM 920 CG ARG A 52 -13.603 -1.647 0.217 1.00 0.00 C ATOM 921 CD ARG A 52 -14.164 -0.273 0.602 1.00 0.00 C ATOM 922 NE ARG A 52 -13.594 0.800 -0.236 1.00 0.00 N ATOM 923 CZ ARG A 52 -13.460 2.085 0.074 1.00 0.00 C ATOM 924 NH1 ARG A 52 -13.847 2.565 1.234 1.00 0.00 N ATOM 925 NH2 ARG A 52 -12.933 2.920 -0.789 1.00 0.00 N ATOM 0 H ARG A 52 -10.059 -2.248 1.965 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.770 -2.884 2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.783 -0.904 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.508 -2.002 -0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.670 -1.775 -0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.216 -2.427 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.249 -0.280 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.946 -0.071 1.651 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.265 0.523 -1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.265 1.946 1.928 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.730 3.557 1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.625 2.584 -1.701 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.831 3.906 -0.548 1.00 0.00 H new ATOM 939 N VAL A 53 -11.297 -4.766 0.077 1.00 0.00 N ATOM 940 CA VAL A 53 -11.352 -6.051 -0.646 1.00 0.00 C ATOM 941 C VAL A 53 -11.596 -7.218 0.320 1.00 0.00 C ATOM 942 O VAL A 53 -12.513 -8.005 0.114 1.00 0.00 O ATOM 943 CB VAL A 53 -10.082 -6.278 -1.507 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.106 -7.671 -2.142 1.00 0.00 C ATOM 945 CG2 VAL A 53 -9.927 -5.224 -2.616 1.00 0.00 C ATOM 0 H VAL A 53 -10.478 -4.210 -0.169 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.198 -6.007 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.230 -6.187 -0.833 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.207 -7.813 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.142 -8.428 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.986 -7.766 -2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.023 -5.429 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.792 -5.262 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.856 -4.233 -2.168 1.00 0.00 H new ATOM 955 N ALA A 54 -10.821 -7.298 1.404 1.00 0.00 N ATOM 956 CA ALA A 54 -10.970 -8.268 2.484 1.00 0.00 C ATOM 957 C ALA A 54 -12.360 -8.253 3.145 1.00 0.00 C ATOM 958 O ALA A 54 -12.946 -9.315 3.364 1.00 0.00 O ATOM 959 CB ALA A 54 -9.885 -7.968 3.515 1.00 0.00 C ATOM 0 H ALA A 54 -10.040 -6.660 1.557 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.866 -9.269 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.963 -8.674 4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.904 -8.062 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.012 -6.953 3.892 1.00 0.00 H new ATOM 965 N ARG A 55 -12.902 -7.071 3.476 1.00 0.00 N ATOM 966 CA ARG A 55 -14.259 -6.955 4.036 1.00 0.00 C ATOM 967 C ARG A 55 -15.324 -7.334 2.995 1.00 0.00 C ATOM 968 O ARG A 55 -16.286 -8.015 3.336 1.00 0.00 O ATOM 969 CB ARG A 55 -14.468 -5.547 4.633 1.00 0.00 C ATOM 970 CG ARG A 55 -15.312 -5.537 5.922 1.00 0.00 C ATOM 971 CD ARG A 55 -16.815 -5.781 5.745 1.00 0.00 C ATOM 972 NE ARG A 55 -17.530 -4.620 5.180 1.00 0.00 N ATOM 973 CZ ARG A 55 -18.720 -4.671 4.592 1.00 0.00 C ATOM 974 NH1 ARG A 55 -19.310 -5.819 4.383 1.00 0.00 N ATOM 975 NH2 ARG A 55 -19.337 -3.577 4.211 1.00 0.00 N ATOM 0 H ARG A 55 -12.420 -6.179 3.365 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.372 -7.669 4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.495 -5.104 4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.952 -4.915 3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.918 -6.297 6.596 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.176 -4.574 6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.962 -6.642 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -17.252 -6.033 6.711 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.076 -3.709 5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -18.856 -6.686 4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -20.224 -5.848 3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -18.903 -2.667 4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -20.250 -3.637 3.761 1.00 0.00 H new ATOM 989 N LEU A 56 -15.124 -6.969 1.726 1.00 0.00 N ATOM 990 CA LEU A 56 -15.953 -7.405 0.600 1.00 0.00 C ATOM 991 C LEU A 56 -15.941 -8.939 0.436 1.00 0.00 C ATOM 992 O LEU A 56 -16.980 -9.555 0.218 1.00 0.00 O ATOM 993 CB LEU A 56 -15.475 -6.708 -0.694 1.00 0.00 C ATOM 994 CG LEU A 56 -16.471 -5.771 -1.404 1.00 0.00 C ATOM 995 CD1 LEU A 56 -17.888 -6.343 -1.515 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.511 -4.399 -0.729 1.00 0.00 C ATOM 0 H LEU A 56 -14.364 -6.348 1.447 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.985 -7.118 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.581 -6.131 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.176 -7.481 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 56 -16.097 -5.667 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.531 -5.626 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.861 -7.274 -2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -18.282 -6.536 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.222 -3.758 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.820 -4.514 0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.520 -3.947 -0.765 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.775 -9.577 0.585 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.609 -11.037 0.568 1.00 0.00 C ATOM 1010 C ILE A 57 -15.426 -11.730 1.658 1.00 0.00 C ATOM 1011 O ILE A 57 -15.957 -12.809 1.401 1.00 0.00 O ATOM 1012 CB ILE A 57 -13.107 -11.384 0.632 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.541 -11.171 -0.782 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.785 -12.797 1.160 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.034 -10.971 -0.765 1.00 0.00 C ATOM 0 H ILE A 57 -13.896 -9.079 0.725 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.008 -11.423 -0.370 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.637 -10.729 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.786 -12.031 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.017 -10.302 -1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.705 -12.945 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.173 -12.904 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.249 -13.542 0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.675 -10.824 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.790 -10.095 -0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.555 -11.851 -0.335 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.607 -11.102 2.827 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.532 -11.603 3.847 1.00 0.00 C ATOM 1029 C GLN A 58 -17.999 -11.664 3.372 1.00 0.00 C ATOM 1030 O GLN A 58 -18.784 -12.366 4.003 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.409 -10.780 5.151 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.727 -11.523 6.310 1.00 0.00 C ATOM 1033 CD GLN A 58 -16.401 -12.844 6.676 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -17.441 -12.883 7.311 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.813 -13.971 6.318 1.00 0.00 N ATOM 0 H GLN A 58 -15.122 -10.243 3.089 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.236 -12.633 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.848 -9.869 4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.406 -10.474 5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.688 -11.717 6.044 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.715 -10.876 7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.943 -13.946 5.787 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.229 -14.867 6.573 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.383 -10.983 2.279 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.743 -11.068 1.731 1.00 0.00 C ATOM 1046 C GLU A 59 -19.933 -12.248 0.759 1.00 0.00 C ATOM 1047 O GLU A 59 -21.050 -12.744 0.641 1.00 0.00 O ATOM 1048 CB GLU A 59 -20.159 -9.756 1.030 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.853 -8.466 1.822 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.926 -7.370 1.689 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -21.506 -7.226 0.594 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -21.115 -6.631 2.687 1.00 0.00 O ATOM 0 H GLU A 59 -17.764 -10.364 1.756 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.389 -11.239 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.653 -9.701 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.229 -9.794 0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.738 -8.720 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.897 -8.065 1.485 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.876 -12.698 0.059 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.983 -13.740 -0.984 1.00 0.00 C ATOM 1061 C GLU A 60 -17.640 -14.412 -1.315 1.00 0.00 C ATOM 1062 O GLU A 60 -17.558 -15.634 -1.398 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.593 -13.125 -2.267 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.866 -13.847 -2.736 1.00 0.00 C ATOM 1065 CD GLU A 60 -20.568 -15.180 -3.433 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -19.809 -15.147 -4.430 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.111 -16.210 -2.974 1.00 0.00 O ATOM 0 H GLU A 60 -17.926 -12.353 0.198 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.631 -14.521 -0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.824 -12.075 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.851 -13.154 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -21.514 -14.027 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.415 -13.199 -3.419 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.581 -13.619 -1.521 1.00 0.00 N ATOM 1075 CA GLY A 61 -15.225 -14.096 -1.816 1.00 0.00 C ATOM 1076 C GLY A 61 -14.788 -13.889 -3.267 1.00 0.00 C ATOM 1077 O GLY A 61 -13.602 -13.665 -3.508 1.00 0.00 O ATOM 0 H GLY A 61 -16.646 -12.602 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.521 -13.584 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.166 -15.158 -1.579 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.734 -13.843 -4.219 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.529 -13.407 -5.611 1.00 0.00 C ATOM 1083 C LEU A 62 -14.743 -12.088 -5.688 1.00 0.00 C ATOM 1084 O LEU A 62 -13.848 -11.944 -6.525 1.00 0.00 O ATOM 1085 CB LEU A 62 -16.916 -13.337 -6.290 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.094 -12.381 -7.492 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.195 -12.694 -8.696 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.547 -12.451 -7.964 1.00 0.00 C ATOM 0 H LEU A 62 -16.699 -14.119 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.909 -14.124 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.175 -14.342 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.645 -13.055 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.810 -11.392 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.388 -11.974 -9.491 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.149 -12.632 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.409 -13.700 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.687 -11.781 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.783 -13.472 -8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.208 -12.150 -7.151 1.00 0.00 H new ATOM 1100 N SER A 63 -15.002 -11.170 -4.748 1.00 0.00 N ATOM 1101 CA SER A 63 -14.256 -9.924 -4.568 1.00 0.00 C ATOM 1102 C SER A 63 -12.735 -10.076 -4.432 1.00 0.00 C ATOM 1103 O SER A 63 -12.056 -9.073 -4.622 1.00 0.00 O ATOM 1104 CB SER A 63 -14.827 -9.126 -3.398 1.00 0.00 C ATOM 1105 OG SER A 63 -15.827 -8.241 -3.862 1.00 0.00 O ATOM 0 H SER A 63 -15.759 -11.280 -4.073 1.00 0.00 H new ATOM 0 HA SER A 63 -14.393 -9.378 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.246 -9.804 -2.654 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.032 -8.565 -2.907 1.00 0.00 H new ATOM 0 HG SER A 63 -15.503 -7.318 -3.798 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.174 -11.280 -4.233 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.769 -11.564 -4.564 1.00 0.00 C ATOM 1113 C VAL A 64 -10.451 -11.076 -5.978 1.00 0.00 C ATOM 1114 O VAL A 64 -9.686 -10.132 -6.129 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.420 -13.061 -4.381 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.144 -13.461 -5.135 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.215 -13.408 -2.904 1.00 0.00 C ATOM 0 H VAL A 64 -12.677 -12.077 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.140 -11.015 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.268 -13.611 -4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.943 -14.520 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.278 -13.275 -6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.304 -12.872 -4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.971 -14.466 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.398 -12.810 -2.500 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.129 -13.195 -2.350 1.00 0.00 H new ATOM 1127 N SER A 65 -11.020 -11.699 -7.014 1.00 0.00 N ATOM 1128 CA SER A 65 -10.739 -11.280 -8.386 1.00 0.00 C ATOM 1129 C SER A 65 -11.526 -10.027 -8.753 1.00 0.00 C ATOM 1130 O SER A 65 -11.011 -9.197 -9.496 1.00 0.00 O ATOM 1131 CB SER A 65 -11.054 -12.398 -9.379 1.00 0.00 C ATOM 1132 OG SER A 65 -10.335 -12.162 -10.574 1.00 0.00 O ATOM 0 H SER A 65 -11.668 -12.483 -6.930 1.00 0.00 H new ATOM 0 HA SER A 65 -9.675 -11.052 -8.442 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.779 -13.365 -8.958 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.124 -12.431 -9.583 1.00 0.00 H new ATOM 0 HG SER A 65 -9.373 -12.188 -10.388 1.00 0.00 H new ATOM 1138 N GLU A 66 -12.757 -9.888 -8.241 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.632 -8.765 -8.569 1.00 0.00 C ATOM 1140 C GLU A 66 -13.077 -7.443 -8.049 1.00 0.00 C ATOM 1141 O GLU A 66 -12.896 -6.532 -8.846 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.058 -8.978 -8.040 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.099 -8.839 -9.156 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.541 -8.831 -8.630 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -17.725 -8.634 -7.405 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -18.445 -8.989 -9.477 1.00 0.00 O ATOM 0 H GLU A 66 -13.170 -10.554 -7.588 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.673 -8.716 -9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.136 -9.968 -7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.267 -8.253 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.913 -7.917 -9.706 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.980 -9.661 -9.862 1.00 0.00 H new ATOM 1153 N ALA A 67 -12.810 -7.310 -6.743 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.391 -6.034 -6.180 1.00 0.00 C ATOM 1155 C ALA A 67 -10.931 -5.699 -6.536 1.00 0.00 C ATOM 1156 O ALA A 67 -10.597 -4.520 -6.613 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.671 -5.987 -4.680 1.00 0.00 C ATOM 0 H ALA A 67 -12.878 -8.070 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 67 -12.990 -5.246 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.350 -5.025 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.739 -6.115 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.124 -6.788 -4.182 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.088 -6.702 -6.845 1.00 0.00 N ATOM 1164 CA ILE A 68 -8.793 -6.479 -7.507 1.00 0.00 C ATOM 1165 C ILE A 68 -9.012 -5.923 -8.918 1.00 0.00 C ATOM 1166 O ILE A 68 -8.511 -4.842 -9.218 1.00 0.00 O ATOM 1167 CB ILE A 68 -7.895 -7.741 -7.500 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.451 -8.003 -6.046 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.648 -7.549 -8.390 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.642 -9.288 -5.834 1.00 0.00 C ATOM 0 H ILE A 68 -10.285 -7.682 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.245 -5.733 -6.931 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.460 -8.584 -7.896 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.854 -7.156 -5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.338 -8.042 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.039 -8.453 -8.363 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.960 -7.352 -9.416 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.063 -6.706 -8.020 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.378 -9.382 -4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.239 -10.148 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.733 -9.249 -6.434 1.00 0.00 H new ATOM 1182 N ALA A 69 -9.757 -6.623 -9.787 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.030 -6.138 -11.141 1.00 0.00 C ATOM 1184 C ALA A 69 -10.691 -4.751 -11.126 1.00 0.00 C ATOM 1185 O ALA A 69 -10.267 -3.879 -11.879 1.00 0.00 O ATOM 1186 CB ALA A 69 -10.869 -7.165 -11.906 1.00 0.00 C ATOM 0 H ALA A 69 -10.179 -7.526 -9.573 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.080 -6.019 -11.663 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.067 -6.796 -12.912 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.325 -8.107 -11.966 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.813 -7.324 -11.385 1.00 0.00 H new ATOM 1192 N GLN A 70 -11.654 -4.520 -10.224 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.229 -3.207 -9.940 1.00 0.00 C ATOM 1194 C GLN A 70 -11.138 -2.212 -9.543 1.00 0.00 C ATOM 1195 O GLN A 70 -10.908 -1.294 -10.314 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.352 -3.280 -8.898 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.629 -3.935 -9.454 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.615 -4.315 -8.348 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.895 -3.547 -7.440 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.179 -5.507 -8.390 1.00 0.00 N ATOM 0 H GLN A 70 -12.063 -5.264 -9.659 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.691 -2.843 -10.858 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.005 -3.845 -8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.586 -2.274 -8.549 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.113 -3.249 -10.150 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.360 -4.827 -10.020 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.950 -6.153 -9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.844 -5.782 -7.667 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.419 -2.365 -8.419 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.425 -1.357 -7.996 1.00 0.00 C ATOM 1211 C VAL A 71 -8.297 -1.133 -9.026 1.00 0.00 C ATOM 1212 O VAL A 71 -7.718 -0.051 -9.067 1.00 0.00 O ATOM 1213 CB VAL A 71 -8.887 -1.648 -6.576 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -7.711 -2.633 -6.541 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.467 -0.352 -5.872 1.00 0.00 C ATOM 0 H VAL A 71 -10.503 -3.165 -7.792 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.957 -0.407 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.719 -2.118 -6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.393 -2.783 -5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.022 -3.587 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.881 -2.230 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.092 -0.584 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.683 0.138 -6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.327 0.313 -5.791 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.007 -2.119 -9.892 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.056 -1.993 -11.009 1.00 0.00 C ATOM 1227 C LYS A 72 -7.637 -1.350 -12.278 1.00 0.00 C ATOM 1228 O LYS A 72 -6.848 -0.800 -13.044 1.00 0.00 O ATOM 1229 CB LYS A 72 -6.478 -3.376 -11.354 1.00 0.00 C ATOM 1230 CG LYS A 72 -5.578 -3.942 -10.237 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.137 -4.253 -10.668 1.00 0.00 C ATOM 1232 CE LYS A 72 -3.277 -2.997 -10.879 1.00 0.00 C ATOM 1233 NZ LYS A 72 -3.391 -2.439 -12.250 1.00 0.00 N ATOM 0 H LYS A 72 -8.435 -3.043 -9.834 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.279 -1.314 -10.659 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.297 -4.071 -11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.903 -3.305 -12.277 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.550 -3.227 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.032 -4.855 -9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.668 -4.883 -9.912 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.159 -4.829 -11.593 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.573 -2.236 -10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.234 -3.240 -10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.571 -1.830 -12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.418 -3.217 -12.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.264 -1.879 -12.325 1.00 0.00 H new ATOM 1247 N THR A 73 -8.954 -1.435 -12.516 1.00 0.00 N ATOM 1248 CA THR A 73 -9.661 -0.823 -13.662 1.00 0.00 C ATOM 1249 C THR A 73 -10.337 0.512 -13.300 1.00 0.00 C ATOM 1250 O THR A 73 -10.635 1.320 -14.177 1.00 0.00 O ATOM 1251 CB THR A 73 -10.661 -1.832 -14.270 1.00 0.00 C ATOM 1252 OG1 THR A 73 -10.834 -1.592 -15.645 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.059 -1.828 -13.645 1.00 0.00 C ATOM 0 H THR A 73 -9.582 -1.948 -11.898 1.00 0.00 H new ATOM 0 HA THR A 73 -8.915 -0.578 -14.418 1.00 0.00 H new ATOM 0 HB THR A 73 -10.205 -2.800 -14.064 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.469 -2.241 -16.013 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.682 -2.571 -14.143 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.984 -2.069 -12.585 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.507 -0.841 -13.762 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.550 0.762 -12.003 1.00 0.00 N ATOM 1262 CA GLU A 74 -10.993 2.024 -11.414 1.00 0.00 C ATOM 1263 C GLU A 74 -10.025 3.164 -11.765 1.00 0.00 C ATOM 1264 O GLU A 74 -8.819 2.945 -11.915 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.089 1.883 -9.879 1.00 0.00 C ATOM 1266 CG GLU A 74 -12.426 1.300 -9.388 1.00 0.00 C ATOM 1267 CD GLU A 74 -13.219 2.330 -8.578 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -13.861 3.191 -9.222 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -13.165 2.253 -7.329 1.00 0.00 O ATOM 0 H GLU A 74 -10.408 0.041 -11.295 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.975 2.264 -11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.276 1.245 -9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.942 2.863 -9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.018 0.973 -10.243 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.237 0.419 -8.775 1.00 0.00 H new ATOM 1276 N PRO A 75 -10.529 4.406 -11.870 1.00 0.00 N ATOM 1277 CA PRO A 75 -9.694 5.550 -12.188 1.00 0.00 C ATOM 1278 C PRO A 75 -8.873 5.980 -10.957 1.00 0.00 C ATOM 1279 O PRO A 75 -9.337 5.840 -9.823 1.00 0.00 O ATOM 1280 CB PRO A 75 -10.689 6.622 -12.626 1.00 0.00 C ATOM 1281 CG PRO A 75 -11.910 6.342 -11.747 1.00 0.00 C ATOM 1282 CD PRO A 75 -11.908 4.817 -11.648 1.00 0.00 C ATOM 0 HA PRO A 75 -8.957 5.345 -12.964 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -10.297 7.626 -12.464 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.928 6.541 -13.686 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.820 6.812 -10.768 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -12.829 6.718 -12.198 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -12.261 4.488 -10.671 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -12.572 4.376 -12.392 1.00 0.00 H new ATOM 1290 N PRO A 76 -7.676 6.564 -11.148 1.00 0.00 N ATOM 1291 CA PRO A 76 -6.831 6.975 -10.035 1.00 0.00 C ATOM 1292 C PRO A 76 -7.450 8.136 -9.241 1.00 0.00 C ATOM 1293 O PRO A 76 -8.129 9.018 -9.791 1.00 0.00 O ATOM 1294 CB PRO A 76 -5.477 7.333 -10.658 1.00 0.00 C ATOM 1295 CG PRO A 76 -5.818 7.702 -12.101 1.00 0.00 C ATOM 1296 CD PRO A 76 -7.019 6.815 -12.422 1.00 0.00 C ATOM 0 HA PRO A 76 -6.719 6.179 -9.299 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.005 8.164 -10.135 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.783 6.493 -10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.063 8.760 -12.198 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.983 7.506 -12.773 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.695 7.309 -13.120 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.703 5.883 -12.890 1.00 0.00 H new ATOM 1304 N ARG A 77 -7.189 8.121 -7.926 1.00 0.00 N ATOM 1305 CA ARG A 77 -7.516 9.171 -6.959 1.00 0.00 C ATOM 1306 C ARG A 77 -6.658 8.986 -5.702 1.00 0.00 C ATOM 1307 O ARG A 77 -6.704 7.921 -5.091 1.00 0.00 O ATOM 1308 CB ARG A 77 -9.020 9.115 -6.602 1.00 0.00 C ATOM 1309 CG ARG A 77 -9.687 10.507 -6.620 1.00 0.00 C ATOM 1310 CD ARG A 77 -10.910 10.546 -7.545 1.00 0.00 C ATOM 1311 NE ARG A 77 -10.533 10.210 -8.928 1.00 0.00 N ATOM 1312 CZ ARG A 77 -11.315 10.144 -9.990 1.00 0.00 C ATOM 1313 NH1 ARG A 77 -12.601 10.407 -9.934 1.00 0.00 N ATOM 1314 NH2 ARG A 77 -10.780 9.798 -11.132 1.00 0.00 N ATOM 0 H ARG A 77 -6.718 7.330 -7.487 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.304 10.147 -7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.533 8.461 -7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.139 8.672 -5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.989 10.777 -5.608 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.962 11.252 -6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.663 9.844 -7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -11.361 11.538 -7.517 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.547 10.003 -9.085 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.029 10.673 -9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -13.171 10.345 -10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.783 9.588 -11.185 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.359 9.738 -11.969 1.00 0.00 H new ATOM 1328 N GLU A 78 -5.861 10.001 -5.364 1.00 0.00 N ATOM 1329 CA GLU A 78 -5.194 10.143 -4.061 1.00 0.00 C ATOM 1330 C GLU A 78 -6.160 10.732 -3.016 1.00 0.00 C ATOM 1331 O GLU A 78 -6.993 11.581 -3.415 1.00 0.00 O ATOM 1332 CB GLU A 78 -3.937 11.017 -4.239 1.00 0.00 C ATOM 1333 CG GLU A 78 -2.941 10.893 -3.073 1.00 0.00 C ATOM 1334 CD GLU A 78 -1.698 11.783 -3.258 1.00 0.00 C ATOM 1335 OE1 GLU A 78 -1.108 11.753 -4.365 1.00 0.00 O ATOM 1336 OE2 GLU A 78 -1.329 12.480 -2.285 1.00 0.00 O ATOM 1337 OXT GLU A 78 -6.061 10.308 -1.846 1.00 0.00 O ATOM 0 H GLU A 78 -5.654 10.769 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.890 9.164 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.437 10.738 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.239 12.059 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.441 11.163 -2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.628 9.853 -2.977 1.00 0.00 H new TER 1344 GLU A 78