USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 20 ASN : amide:sc= 0 X(o=-0.49,f=-0.52) USER MOD Set 1.2: A 21 ASN : amide:sc= -0.491 X(o=-0.49,f=-0.52) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0185 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 26:sc= 0.742 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= -4.41! USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN :FLIP amide:sc= 0.513 F(o=-1.6,f=0.51) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00372) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 144:sc= -0.014 (180deg=-0.103) USER MOD Single : A 46 TYR OH : rot 110:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.911 K(o=-0.91,f=-2) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot -30:sc= -0.243 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.509 22.062 11.522 1.00 0.00 N ATOM 2 CA GLY A 1 8.050 21.154 10.525 1.00 0.00 C ATOM 3 C GLY A 1 6.983 20.770 9.497 1.00 0.00 C ATOM 4 O GLY A 1 5.819 20.580 9.846 1.00 0.00 O ATOM 0 H1 GLY A 1 7.894 21.820 12.457 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.773 23.039 11.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.473 21.978 11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.894 21.624 10.020 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.430 20.256 11.013 1.00 0.00 H new ATOM 8 N SER A 2 7.418 20.669 8.250 1.00 0.00 N ATOM 9 CA SER A 2 6.515 20.312 7.169 1.00 0.00 C ATOM 10 C SER A 2 6.934 18.974 6.558 1.00 0.00 C ATOM 11 O SER A 2 8.110 18.613 6.589 1.00 0.00 O ATOM 12 CB SER A 2 6.486 21.400 6.094 1.00 0.00 C ATOM 13 OG SER A 2 5.435 22.338 6.312 1.00 0.00 O ATOM 0 H SER A 2 8.384 20.828 7.964 1.00 0.00 H new ATOM 0 HA SER A 2 5.510 20.218 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.442 21.923 6.082 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.363 20.938 5.114 1.00 0.00 H new ATOM 0 HG SER A 2 5.451 23.017 5.606 1.00 0.00 H new ATOM 19 N SER A 3 5.949 18.273 6.015 1.00 0.00 N ATOM 20 CA SER A 3 6.200 16.982 5.398 1.00 0.00 C ATOM 21 C SER A 3 5.075 16.642 4.418 1.00 0.00 C ATOM 22 O SER A 3 3.899 16.822 4.732 1.00 0.00 O ATOM 23 CB SER A 3 6.334 15.883 6.454 1.00 0.00 C ATOM 24 OG SER A 3 7.633 15.861 7.039 1.00 0.00 O ATOM 0 H SER A 3 4.975 18.575 5.990 1.00 0.00 H new ATOM 0 HA SER A 3 7.142 17.041 4.853 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.588 16.036 7.234 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.125 14.915 5.999 1.00 0.00 H new ATOM 0 HG SER A 3 8.033 16.754 6.982 1.00 0.00 H new ATOM 30 N GLY A 4 5.475 16.157 3.252 1.00 0.00 N ATOM 31 CA GLY A 4 4.515 15.791 2.225 1.00 0.00 C ATOM 32 C GLY A 4 5.117 15.955 0.828 1.00 0.00 C ATOM 33 O GLY A 4 5.447 14.969 0.171 1.00 0.00 O ATOM 0 H GLY A 4 6.451 16.009 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.199 14.758 2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.624 16.413 2.316 1.00 0.00 H new ATOM 37 N SER A 5 5.241 17.208 0.416 1.00 0.00 N ATOM 38 CA SER A 5 5.798 17.514 -0.891 1.00 0.00 C ATOM 39 C SER A 5 4.867 16.998 -1.990 1.00 0.00 C ATOM 40 O SER A 5 4.294 15.916 -1.866 1.00 0.00 O ATOM 41 CB SER A 5 7.194 16.910 -1.050 1.00 0.00 C ATOM 42 OG SER A 5 8.221 17.857 -0.770 1.00 0.00 O ATOM 0 H SER A 5 4.965 18.023 0.964 1.00 0.00 H new ATOM 0 HA SER A 5 5.889 18.597 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.297 16.055 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.313 16.536 -2.067 1.00 0.00 H new ATOM 0 HG SER A 5 9.097 17.432 -0.881 1.00 0.00 H new ATOM 48 N SER A 6 4.745 17.795 -3.041 1.00 0.00 N ATOM 49 CA SER A 6 3.894 17.432 -4.161 1.00 0.00 C ATOM 50 C SER A 6 4.661 16.532 -5.131 1.00 0.00 C ATOM 51 O SER A 6 5.690 16.932 -5.673 1.00 0.00 O ATOM 52 CB SER A 6 3.378 18.676 -4.887 1.00 0.00 C ATOM 53 OG SER A 6 2.333 18.364 -5.804 1.00 0.00 O ATOM 0 H SER A 6 5.222 18.691 -3.141 1.00 0.00 H new ATOM 0 HA SER A 6 3.033 16.887 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.015 19.398 -4.156 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.200 19.151 -5.422 1.00 0.00 H new ATOM 0 HG SER A 6 2.030 19.184 -6.246 1.00 0.00 H new ATOM 59 N GLY A 7 4.131 15.332 -5.321 1.00 0.00 N ATOM 60 CA GLY A 7 4.753 14.372 -6.216 1.00 0.00 C ATOM 61 C GLY A 7 3.779 13.932 -7.311 1.00 0.00 C ATOM 62 O GLY A 7 3.037 12.966 -7.135 1.00 0.00 O ATOM 0 H GLY A 7 3.277 15.003 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.640 14.814 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.085 13.502 -5.649 1.00 0.00 H new ATOM 66 N MET A 8 3.812 14.661 -8.416 1.00 0.00 N ATOM 67 CA MET A 8 2.941 14.358 -9.539 1.00 0.00 C ATOM 68 C MET A 8 3.055 12.886 -9.940 1.00 0.00 C ATOM 69 O MET A 8 4.075 12.247 -9.685 1.00 0.00 O ATOM 70 CB MET A 8 3.317 15.242 -10.730 1.00 0.00 C ATOM 71 CG MET A 8 4.750 14.965 -11.188 1.00 0.00 C ATOM 72 SD MET A 8 5.818 16.310 -10.702 1.00 0.00 S ATOM 73 CE MET A 8 7.088 15.402 -9.839 1.00 0.00 C ATOM 0 H MET A 8 4.428 15.461 -8.558 1.00 0.00 H new ATOM 0 HA MET A 8 1.912 14.555 -9.239 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.627 15.061 -11.554 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.216 16.292 -10.454 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.106 14.032 -10.752 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.777 14.842 -12.271 1.00 0.00 H new ATOM 0 HE1 MET A 8 7.842 16.096 -9.467 1.00 0.00 H new ATOM 0 HE2 MET A 8 6.645 14.864 -9.001 1.00 0.00 H new ATOM 0 HE3 MET A 8 7.554 14.691 -10.521 1.00 0.00 H new ATOM 83 N SER A 9 1.995 12.391 -10.561 1.00 0.00 N ATOM 84 CA SER A 9 1.964 11.006 -11.000 1.00 0.00 C ATOM 85 C SER A 9 0.802 10.791 -11.972 1.00 0.00 C ATOM 86 O SER A 9 -0.286 11.328 -11.773 1.00 0.00 O ATOM 87 CB SER A 9 1.841 10.054 -9.808 1.00 0.00 C ATOM 88 OG SER A 9 2.874 9.072 -9.801 1.00 0.00 O ATOM 0 H SER A 9 1.151 12.924 -10.771 1.00 0.00 H new ATOM 0 HA SER A 9 2.902 10.788 -11.511 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.879 10.627 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.870 9.559 -9.838 1.00 0.00 H new ATOM 0 HG SER A 9 2.762 8.485 -9.024 1.00 0.00 H new ATOM 94 N GLY A 10 1.073 10.005 -13.003 1.00 0.00 N ATOM 95 CA GLY A 10 0.064 9.712 -14.007 1.00 0.00 C ATOM 96 C GLY A 10 -1.083 8.896 -13.410 1.00 0.00 C ATOM 97 O GLY A 10 -1.172 8.741 -12.193 1.00 0.00 O ATOM 0 H GLY A 10 1.977 9.562 -13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.324 10.643 -14.420 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.516 9.161 -14.832 1.00 0.00 H new ATOM 101 N GLY A 11 -1.933 8.394 -14.294 1.00 0.00 N ATOM 102 CA GLY A 11 -3.071 7.597 -13.869 1.00 0.00 C ATOM 103 C GLY A 11 -3.256 6.379 -14.776 1.00 0.00 C ATOM 104 O GLY A 11 -3.015 6.454 -15.980 1.00 0.00 O ATOM 0 H GLY A 11 -1.856 8.524 -15.303 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.926 7.270 -12.839 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.974 8.208 -13.885 1.00 0.00 H new ATOM 108 N GLY A 12 -3.683 5.284 -14.164 1.00 0.00 N ATOM 109 CA GLY A 12 -3.904 4.052 -14.901 1.00 0.00 C ATOM 110 C GLY A 12 -2.652 3.172 -14.885 1.00 0.00 C ATOM 111 O GLY A 12 -1.557 3.638 -15.196 1.00 0.00 O ATOM 0 H GLY A 12 -3.882 5.225 -13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.741 3.508 -14.464 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.177 4.284 -15.930 1.00 0.00 H new ATOM 115 N VAL A 13 -2.856 1.915 -14.520 1.00 0.00 N ATOM 116 CA VAL A 13 -1.758 0.965 -14.459 1.00 0.00 C ATOM 117 C VAL A 13 -2.287 -0.440 -14.754 1.00 0.00 C ATOM 118 O VAL A 13 -3.295 -0.859 -14.188 1.00 0.00 O ATOM 119 CB VAL A 13 -1.052 1.067 -13.105 1.00 0.00 C ATOM 120 CG1 VAL A 13 -2.064 1.044 -11.957 1.00 0.00 C ATOM 121 CG2 VAL A 13 -0.014 -0.046 -12.943 1.00 0.00 C ATOM 0 H VAL A 13 -3.766 1.532 -14.263 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.011 1.196 -15.218 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.527 2.022 -13.071 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.537 1.118 -11.006 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.749 1.886 -12.059 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.628 0.112 -11.988 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.473 0.049 -11.973 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.507 -1.016 -13.008 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.732 0.035 -13.733 1.00 0.00 H new ATOM 131 N ILE A 14 -1.583 -1.129 -15.639 1.00 0.00 N ATOM 132 CA ILE A 14 -1.969 -2.478 -16.016 1.00 0.00 C ATOM 133 C ILE A 14 -3.470 -2.511 -16.310 1.00 0.00 C ATOM 134 O ILE A 14 -4.082 -1.471 -16.552 1.00 0.00 O ATOM 135 CB ILE A 14 -1.530 -3.480 -14.946 1.00 0.00 C ATOM 136 CG1 ILE A 14 -2.334 -3.293 -13.658 1.00 0.00 C ATOM 137 CG2 ILE A 14 -0.023 -3.393 -14.699 1.00 0.00 C ATOM 138 CD1 ILE A 14 -2.116 -4.466 -12.700 1.00 0.00 C ATOM 0 H ILE A 14 -0.747 -0.778 -16.106 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.458 -2.779 -16.930 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.738 -4.485 -15.313 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.039 -2.363 -13.173 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.394 -3.206 -13.896 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.263 -4.115 -13.934 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.511 -3.613 -15.624 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.233 -2.388 -14.363 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.699 -4.308 -11.793 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.435 -5.391 -13.179 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.059 -4.535 -12.445 1.00 0.00 H new ATOM 150 N ARG A 15 -4.020 -3.716 -16.281 1.00 0.00 N ATOM 151 CA ARG A 15 -5.438 -3.898 -16.541 1.00 0.00 C ATOM 152 C ARG A 15 -6.256 -2.849 -15.784 1.00 0.00 C ATOM 153 O ARG A 15 -6.143 -2.731 -14.565 1.00 0.00 O ATOM 154 CB ARG A 15 -5.900 -5.295 -16.123 1.00 0.00 C ATOM 155 CG ARG A 15 -5.614 -5.546 -14.641 1.00 0.00 C ATOM 156 CD ARG A 15 -5.358 -7.032 -14.377 1.00 0.00 C ATOM 157 NE ARG A 15 -6.578 -7.665 -13.828 1.00 0.00 N ATOM 158 CZ ARG A 15 -6.762 -8.989 -13.738 1.00 0.00 C ATOM 159 NH1 ARG A 15 -5.806 -9.828 -14.160 1.00 0.00 N ATOM 160 NH2 ARG A 15 -7.901 -9.475 -13.226 1.00 0.00 N ATOM 0 H ARG A 15 -3.509 -4.576 -16.081 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.596 -3.782 -17.613 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.968 -5.401 -16.314 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.392 -6.046 -16.728 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.747 -4.963 -14.330 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.458 -5.206 -14.041 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.065 -7.529 -15.302 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.531 -7.148 -13.677 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.326 -7.055 -13.497 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.939 -9.458 -14.549 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.946 -10.836 -14.092 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.629 -8.837 -12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.040 -10.483 -13.158 1.00 0.00 H new ATOM 174 N GLY A 16 -7.061 -2.115 -16.538 1.00 0.00 N ATOM 175 CA GLY A 16 -7.897 -1.081 -15.953 1.00 0.00 C ATOM 176 C GLY A 16 -8.982 -1.691 -15.063 1.00 0.00 C ATOM 177 O GLY A 16 -9.336 -2.858 -15.221 1.00 0.00 O ATOM 0 H GLY A 16 -7.152 -2.216 -17.549 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.281 -0.399 -15.366 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.360 -0.492 -16.744 1.00 0.00 H new ATOM 181 N PRO A 17 -9.493 -0.852 -14.123 1.00 0.00 N ATOM 182 CA PRO A 17 -10.531 -1.296 -13.208 1.00 0.00 C ATOM 183 C PRO A 17 -11.884 -1.385 -13.915 1.00 0.00 C ATOM 184 O PRO A 17 -12.009 -0.996 -15.075 1.00 0.00 O ATOM 185 CB PRO A 17 -10.517 -0.283 -12.075 1.00 0.00 C ATOM 186 CG PRO A 17 -9.800 0.942 -12.620 1.00 0.00 C ATOM 187 CD PRO A 17 -9.099 0.537 -13.906 1.00 0.00 C ATOM 0 HA PRO A 17 -10.354 -2.302 -12.827 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -11.531 -0.035 -11.761 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.001 -0.681 -11.201 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.510 1.747 -12.809 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.079 1.317 -11.894 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.404 1.170 -14.739 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.017 0.632 -13.814 1.00 0.00 H new ATOM 195 N ALA A 18 -12.865 -1.897 -13.186 1.00 0.00 N ATOM 196 CA ALA A 18 -14.205 -2.042 -13.729 1.00 0.00 C ATOM 197 C ALA A 18 -15.229 -1.739 -12.634 1.00 0.00 C ATOM 198 O ALA A 18 -16.053 -0.838 -12.781 1.00 0.00 O ATOM 199 CB ALA A 18 -14.371 -3.447 -14.311 1.00 0.00 C ATOM 0 H ALA A 18 -12.758 -2.217 -12.223 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.370 -1.332 -14.540 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -15.376 -3.556 -14.718 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.639 -3.601 -15.104 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.216 -4.187 -13.526 1.00 0.00 H new ATOM 205 N GLY A 19 -15.144 -2.509 -11.559 1.00 0.00 N ATOM 206 CA GLY A 19 -16.054 -2.335 -10.439 1.00 0.00 C ATOM 207 C GLY A 19 -16.715 -3.661 -10.058 1.00 0.00 C ATOM 208 O GLY A 19 -17.881 -3.892 -10.375 1.00 0.00 O ATOM 0 H GLY A 19 -14.459 -3.255 -11.440 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.510 -1.936 -9.583 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.820 -1.604 -10.698 1.00 0.00 H new ATOM 212 N ASN A 20 -15.941 -4.499 -9.384 1.00 0.00 N ATOM 213 CA ASN A 20 -16.437 -5.796 -8.956 1.00 0.00 C ATOM 214 C ASN A 20 -16.288 -5.919 -7.438 1.00 0.00 C ATOM 215 O ASN A 20 -17.256 -6.212 -6.738 1.00 0.00 O ATOM 216 CB ASN A 20 -15.641 -6.931 -9.603 1.00 0.00 C ATOM 217 CG ASN A 20 -16.560 -8.085 -10.008 1.00 0.00 C ATOM 218 OD1 ASN A 20 -16.696 -9.078 -9.311 1.00 0.00 O ATOM 219 ND2 ASN A 20 -17.181 -7.900 -11.169 1.00 0.00 N ATOM 0 H ASN A 20 -14.974 -4.305 -9.124 1.00 0.00 H new ATOM 0 HA ASN A 20 -17.482 -5.873 -9.255 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.114 -6.556 -10.480 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.884 -7.292 -8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -17.817 -8.613 -11.527 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -17.022 -7.045 -11.702 1.00 0.00 H new ATOM 226 N ASN A 21 -15.068 -5.690 -6.975 1.00 0.00 N ATOM 227 CA ASN A 21 -14.780 -5.772 -5.553 1.00 0.00 C ATOM 228 C ASN A 21 -13.676 -4.773 -5.203 1.00 0.00 C ATOM 229 O ASN A 21 -13.856 -3.922 -4.333 1.00 0.00 O ATOM 230 CB ASN A 21 -14.292 -7.170 -5.170 1.00 0.00 C ATOM 231 CG ASN A 21 -15.339 -8.231 -5.515 1.00 0.00 C ATOM 232 OD1 ASN A 21 -16.419 -8.281 -4.950 1.00 0.00 O ATOM 233 ND2 ASN A 21 -14.960 -9.073 -6.472 1.00 0.00 N ATOM 0 H ASN A 21 -14.268 -5.448 -7.559 1.00 0.00 H new ATOM 0 HA ASN A 21 -15.698 -5.549 -5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.361 -7.390 -5.692 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.074 -7.203 -4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.588 -9.817 -6.775 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.041 -8.974 -6.903 1.00 0.00 H new ATOM 240 N ASP A 22 -12.557 -4.908 -5.899 1.00 0.00 N ATOM 241 CA ASP A 22 -11.423 -4.028 -5.672 1.00 0.00 C ATOM 242 C ASP A 22 -10.918 -4.212 -4.239 1.00 0.00 C ATOM 243 O ASP A 22 -11.487 -3.655 -3.301 1.00 0.00 O ATOM 244 CB ASP A 22 -11.821 -2.561 -5.848 1.00 0.00 C ATOM 245 CG ASP A 22 -12.592 -2.250 -7.133 1.00 0.00 C ATOM 246 OD1 ASP A 22 -12.604 -3.135 -8.016 1.00 0.00 O ATOM 247 OD2 ASP A 22 -13.152 -1.135 -7.203 1.00 0.00 O ATOM 0 H ASP A 22 -12.411 -5.614 -6.621 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.649 -4.282 -6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.430 -2.260 -4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.918 -1.950 -5.827 1.00 0.00 H new ATOM 252 N CYS A 23 -9.857 -4.994 -4.116 1.00 0.00 N ATOM 253 CA CYS A 23 -9.269 -5.259 -2.813 1.00 0.00 C ATOM 254 C CYS A 23 -7.773 -4.948 -2.889 1.00 0.00 C ATOM 255 O CYS A 23 -6.964 -5.615 -2.246 1.00 0.00 O ATOM 256 CB CYS A 23 -9.531 -6.695 -2.355 1.00 0.00 C ATOM 257 SG CYS A 23 -11.333 -7.007 -2.276 1.00 0.00 S ATOM 0 H CYS A 23 -9.388 -5.453 -4.897 1.00 0.00 H new ATOM 0 HA CYS A 23 -9.735 -4.618 -2.064 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.062 -7.397 -3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.081 -6.861 -1.376 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.545 -8.229 -1.888 1.00 0.00 H new ATOM 263 N ARG A 24 -7.451 -3.935 -3.681 1.00 0.00 N ATOM 264 CA ARG A 24 -6.066 -3.528 -3.849 1.00 0.00 C ATOM 265 C ARG A 24 -5.880 -2.079 -3.395 1.00 0.00 C ATOM 266 O ARG A 24 -6.582 -1.183 -3.862 1.00 0.00 O ATOM 267 CB ARG A 24 -5.627 -3.658 -5.309 1.00 0.00 C ATOM 268 CG ARG A 24 -5.341 -5.118 -5.668 1.00 0.00 C ATOM 269 CD ARG A 24 -3.950 -5.267 -6.287 1.00 0.00 C ATOM 270 NE ARG A 24 -3.911 -4.604 -7.610 1.00 0.00 N ATOM 271 CZ ARG A 24 -4.366 -5.158 -8.742 1.00 0.00 C ATOM 272 NH1 ARG A 24 -4.897 -6.388 -8.719 1.00 0.00 N ATOM 273 NH2 ARG A 24 -4.290 -4.482 -9.896 1.00 0.00 N ATOM 0 H ARG A 24 -8.125 -3.385 -4.213 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.450 -4.186 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.405 -3.265 -5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.734 -3.056 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.413 -5.737 -4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.095 -5.479 -6.368 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.201 -4.827 -5.628 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.701 -6.323 -6.393 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.513 -3.666 -7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.955 -6.902 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.244 -6.810 -9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.886 -3.546 -9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.636 -4.904 -10.758 1.00 0.00 H new ATOM 287 N ILE A 25 -4.930 -1.894 -2.489 1.00 0.00 N ATOM 288 CA ILE A 25 -4.643 -0.569 -1.967 1.00 0.00 C ATOM 289 C ILE A 25 -3.158 -0.259 -2.162 1.00 0.00 C ATOM 290 O ILE A 25 -2.350 -1.168 -2.348 1.00 0.00 O ATOM 291 CB ILE A 25 -5.109 -0.453 -0.514 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.459 -1.530 0.358 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.636 -0.487 -0.424 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.550 -1.163 1.841 1.00 0.00 C ATOM 0 H ILE A 25 -4.350 -2.639 -2.104 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.202 0.187 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.785 0.513 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.950 -2.488 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.414 -1.652 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.941 -0.403 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.053 0.345 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.004 -1.427 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.081 -1.945 2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.037 -0.217 2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.597 -1.066 2.128 1.00 0.00 H new ATOM 306 N TYR A 26 -2.843 1.027 -2.114 1.00 0.00 N ATOM 307 CA TYR A 26 -1.468 1.467 -2.283 1.00 0.00 C ATOM 308 C TYR A 26 -0.979 2.226 -1.048 1.00 0.00 C ATOM 309 O TYR A 26 -1.639 3.155 -0.585 1.00 0.00 O ATOM 310 CB TYR A 26 -1.475 2.419 -3.482 1.00 0.00 C ATOM 311 CG TYR A 26 -0.162 3.178 -3.681 1.00 0.00 C ATOM 312 CD1 TYR A 26 0.912 2.552 -4.281 1.00 0.00 C ATOM 313 CD2 TYR A 26 -0.052 4.488 -3.262 1.00 0.00 C ATOM 314 CE1 TYR A 26 2.148 3.267 -4.469 1.00 0.00 C ATOM 315 CE2 TYR A 26 1.184 5.202 -3.450 1.00 0.00 C ATOM 316 CZ TYR A 26 2.223 4.557 -4.044 1.00 0.00 C ATOM 317 OH TYR A 26 3.391 5.231 -4.221 1.00 0.00 O ATOM 0 H TYR A 26 -3.516 1.778 -1.961 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.807 0.613 -2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.693 1.848 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.284 3.139 -3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.826 1.527 -4.609 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.893 4.978 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.996 2.790 -4.937 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.284 6.228 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 26 3.299 6.142 -3.871 1.00 0.00 H new ATOM 327 N VAL A 27 0.172 1.801 -0.549 1.00 0.00 N ATOM 328 CA VAL A 27 0.757 2.429 0.623 1.00 0.00 C ATOM 329 C VAL A 27 1.991 3.231 0.205 1.00 0.00 C ATOM 330 O VAL A 27 2.962 2.667 -0.297 1.00 0.00 O ATOM 331 CB VAL A 27 1.064 1.371 1.685 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.627 2.014 2.954 1.00 0.00 C ATOM 333 CG2 VAL A 27 -0.178 0.534 1.999 1.00 0.00 C ATOM 0 H VAL A 27 0.715 1.029 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 27 0.052 3.128 1.073 1.00 0.00 H new ATOM 0 HB VAL A 27 1.826 0.703 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.836 1.240 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.548 2.546 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.898 2.715 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.067 -0.210 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.970 1.184 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.517 0.032 1.093 1.00 0.00 H new ATOM 343 N GLY A 28 1.913 4.535 0.427 1.00 0.00 N ATOM 344 CA GLY A 28 3.011 5.420 0.079 1.00 0.00 C ATOM 345 C GLY A 28 3.640 6.032 1.333 1.00 0.00 C ATOM 346 O GLY A 28 3.187 5.776 2.447 1.00 0.00 O ATOM 0 H GLY A 28 1.106 5.000 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.767 4.866 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.650 6.213 -0.576 1.00 0.00 H new ATOM 350 N ASN A 29 4.675 6.828 1.108 1.00 0.00 N ATOM 351 CA ASN A 29 5.371 7.479 2.206 1.00 0.00 C ATOM 352 C ASN A 29 5.769 6.428 3.245 1.00 0.00 C ATOM 353 O ASN A 29 5.169 6.351 4.316 1.00 0.00 O ATOM 354 CB ASN A 29 4.473 8.508 2.894 1.00 0.00 C ATOM 355 CG ASN A 29 5.292 9.694 3.408 1.00 0.00 C ATOM 356 OD1 ASN A 29 5.627 10.569 2.465 1.00 0.00 O flip ATOM 357 ND2 ASN A 29 5.600 9.806 4.583 1.00 0.00 N flip ATOM 0 H ASN A 29 5.049 7.037 0.182 1.00 0.00 H new ATOM 0 HA ASN A 29 6.249 7.982 1.799 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.716 8.861 2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.946 8.038 3.724 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.310 9.097 5.256 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.148 10.609 4.892 1.00 0.00 H new ATOM 364 N LEU A 30 6.778 5.646 2.892 1.00 0.00 N ATOM 365 CA LEU A 30 7.263 4.604 3.781 1.00 0.00 C ATOM 366 C LEU A 30 8.712 4.905 4.170 1.00 0.00 C ATOM 367 O LEU A 30 9.398 5.662 3.485 1.00 0.00 O ATOM 368 CB LEU A 30 7.071 3.226 3.145 1.00 0.00 C ATOM 369 CG LEU A 30 5.635 2.701 3.102 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.432 1.755 1.917 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.250 2.046 4.431 1.00 0.00 C ATOM 0 H LEU A 30 7.273 5.713 2.003 1.00 0.00 H new ATOM 0 HA LEU A 30 6.682 4.588 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.454 3.262 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.683 2.508 3.690 1.00 0.00 H new ATOM 0 HG LEU A 30 4.966 3.549 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.403 1.396 1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.637 2.286 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.111 0.907 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.224 1.681 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.921 1.211 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.330 2.778 5.234 1.00 0.00 H new ATOM 383 N PRO A 31 9.145 4.282 5.298 1.00 0.00 N ATOM 384 CA PRO A 31 10.500 4.476 5.787 1.00 0.00 C ATOM 385 C PRO A 31 11.507 3.704 4.932 1.00 0.00 C ATOM 386 O PRO A 31 11.123 2.853 4.131 1.00 0.00 O ATOM 387 CB PRO A 31 10.467 4.008 7.233 1.00 0.00 C ATOM 388 CG PRO A 31 9.225 3.142 7.363 1.00 0.00 C ATOM 389 CD PRO A 31 8.360 3.379 6.136 1.00 0.00 C ATOM 0 HA PRO A 31 10.825 5.515 5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.365 3.442 7.481 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.425 4.856 7.917 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.500 2.090 7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.677 3.395 8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.144 2.445 5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.402 3.822 6.407 1.00 0.00 H new ATOM 397 N PRO A 32 12.809 4.038 5.137 1.00 0.00 N ATOM 398 CA PRO A 32 13.874 3.386 4.394 1.00 0.00 C ATOM 399 C PRO A 32 14.120 1.969 4.917 1.00 0.00 C ATOM 400 O PRO A 32 14.537 1.089 4.165 1.00 0.00 O ATOM 401 CB PRO A 32 15.081 4.296 4.556 1.00 0.00 C ATOM 402 CG PRO A 32 14.781 5.176 5.758 1.00 0.00 C ATOM 403 CD PRO A 32 13.301 5.041 6.077 1.00 0.00 C ATOM 0 HA PRO A 32 13.630 3.253 3.340 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.990 3.715 4.714 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.239 4.898 3.661 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.385 4.873 6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.032 6.215 5.543 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.145 4.726 7.109 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.781 5.990 5.951 1.00 0.00 H new ATOM 411 N ASP A 33 13.850 1.791 6.202 1.00 0.00 N ATOM 412 CA ASP A 33 14.036 0.497 6.834 1.00 0.00 C ATOM 413 C ASP A 33 12.671 -0.161 7.051 1.00 0.00 C ATOM 414 O ASP A 33 12.373 -0.634 8.147 1.00 0.00 O ATOM 415 CB ASP A 33 14.713 0.642 8.198 1.00 0.00 C ATOM 416 CG ASP A 33 15.661 -0.499 8.574 1.00 0.00 C ATOM 417 OD1 ASP A 33 16.077 -1.221 7.642 1.00 0.00 O ATOM 418 OD2 ASP A 33 15.947 -0.623 9.784 1.00 0.00 O ATOM 0 H ASP A 33 13.504 2.523 6.823 1.00 0.00 H new ATOM 0 HA ASP A 33 14.665 -0.109 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.272 1.578 8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.941 0.720 8.964 1.00 0.00 H new ATOM 423 N ILE A 34 11.878 -0.169 5.990 1.00 0.00 N ATOM 424 CA ILE A 34 10.552 -0.761 6.051 1.00 0.00 C ATOM 425 C ILE A 34 10.611 -2.190 5.508 1.00 0.00 C ATOM 426 O ILE A 34 11.506 -2.528 4.735 1.00 0.00 O ATOM 427 CB ILE A 34 9.535 0.129 5.332 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.104 -0.283 5.682 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.779 0.131 3.822 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.766 0.081 7.129 1.00 0.00 C ATOM 0 H ILE A 34 12.128 0.225 5.083 1.00 0.00 H new ATOM 0 HA ILE A 34 10.210 -0.826 7.084 1.00 0.00 H new ATOM 0 HB ILE A 34 9.670 1.153 5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.405 0.210 5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.985 -1.357 5.536 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.043 0.771 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.781 0.508 3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.688 -0.885 3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.743 -0.223 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.452 -0.432 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.862 1.158 7.265 1.00 0.00 H new ATOM 442 N ARG A 35 9.645 -2.991 5.934 1.00 0.00 N ATOM 443 CA ARG A 35 9.575 -4.376 5.500 1.00 0.00 C ATOM 444 C ARG A 35 8.157 -4.716 5.037 1.00 0.00 C ATOM 445 O ARG A 35 7.181 -4.240 5.614 1.00 0.00 O ATOM 446 CB ARG A 35 9.978 -5.327 6.629 1.00 0.00 C ATOM 447 CG ARG A 35 11.446 -5.133 7.012 1.00 0.00 C ATOM 448 CD ARG A 35 11.930 -6.264 7.921 1.00 0.00 C ATOM 449 NE ARG A 35 13.189 -6.834 7.393 1.00 0.00 N ATOM 450 CZ ARG A 35 13.998 -7.643 8.091 1.00 0.00 C ATOM 451 NH1 ARG A 35 13.684 -7.983 9.349 1.00 0.00 N ATOM 452 NH2 ARG A 35 15.121 -8.113 7.531 1.00 0.00 N ATOM 0 H ARG A 35 8.904 -2.707 6.575 1.00 0.00 H new ATOM 0 HA ARG A 35 10.271 -4.500 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.345 -5.153 7.499 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.813 -6.358 6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.059 -5.098 6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.570 -4.176 7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.087 -5.887 8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.168 -7.041 7.986 1.00 0.00 H new ATOM 0 HE ARG A 35 13.458 -6.596 6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.829 -7.626 9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.300 -8.599 9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.360 -7.855 6.574 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.737 -8.729 8.062 1.00 0.00 H new ATOM 466 N THR A 36 8.089 -5.537 3.999 1.00 0.00 N ATOM 467 CA THR A 36 6.807 -5.947 3.452 1.00 0.00 C ATOM 468 C THR A 36 5.935 -6.569 4.544 1.00 0.00 C ATOM 469 O THR A 36 4.738 -6.297 4.617 1.00 0.00 O ATOM 470 CB THR A 36 7.074 -6.889 2.277 1.00 0.00 C ATOM 471 OG1 THR A 36 8.217 -6.330 1.636 1.00 0.00 O ATOM 472 CG2 THR A 36 5.979 -6.821 1.210 1.00 0.00 C ATOM 0 H THR A 36 8.901 -5.929 3.523 1.00 0.00 H new ATOM 0 HA THR A 36 6.244 -5.091 3.080 1.00 0.00 H new ATOM 0 HB THR A 36 7.159 -7.911 2.645 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.460 -6.881 0.863 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.218 -7.509 0.399 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.022 -7.100 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.916 -5.806 0.818 1.00 0.00 H new ATOM 480 N LYS A 37 6.569 -7.392 5.365 1.00 0.00 N ATOM 481 CA LYS A 37 5.867 -8.055 6.451 1.00 0.00 C ATOM 482 C LYS A 37 5.346 -7.004 7.433 1.00 0.00 C ATOM 483 O LYS A 37 4.156 -6.974 7.742 1.00 0.00 O ATOM 484 CB LYS A 37 6.760 -9.114 7.100 1.00 0.00 C ATOM 485 CG LYS A 37 5.969 -10.388 7.403 1.00 0.00 C ATOM 486 CD LYS A 37 6.477 -11.562 6.563 1.00 0.00 C ATOM 487 CE LYS A 37 7.576 -12.329 7.301 1.00 0.00 C ATOM 488 NZ LYS A 37 8.912 -11.840 6.892 1.00 0.00 N ATOM 0 H LYS A 37 7.562 -7.615 5.300 1.00 0.00 H new ATOM 0 HA LYS A 37 4.999 -8.594 6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.593 -9.348 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.187 -8.719 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.055 -10.630 8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.911 -10.221 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.650 -12.234 6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.861 -11.194 5.612 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.452 -12.209 8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.491 -13.394 7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.647 -12.382 7.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.027 -11.961 5.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.002 -10.832 7.134 1.00 0.00 H new ATOM 502 N ASP A 38 6.263 -6.168 7.897 1.00 0.00 N ATOM 503 CA ASP A 38 5.911 -5.118 8.837 1.00 0.00 C ATOM 504 C ASP A 38 4.690 -4.359 8.315 1.00 0.00 C ATOM 505 O ASP A 38 3.782 -4.036 9.079 1.00 0.00 O ATOM 506 CB ASP A 38 7.057 -4.117 8.999 1.00 0.00 C ATOM 507 CG ASP A 38 8.299 -4.664 9.705 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.469 -5.902 9.678 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.051 -3.832 10.257 1.00 0.00 O ATOM 0 H ASP A 38 7.249 -6.197 7.639 1.00 0.00 H new ATOM 0 HA ASP A 38 5.701 -5.584 9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.348 -3.758 8.012 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.690 -3.255 9.557 1.00 0.00 H new ATOM 514 N ILE A 39 4.707 -4.097 7.016 1.00 0.00 N ATOM 515 CA ILE A 39 3.613 -3.382 6.383 1.00 0.00 C ATOM 516 C ILE A 39 2.371 -4.275 6.361 1.00 0.00 C ATOM 517 O ILE A 39 1.245 -3.779 6.358 1.00 0.00 O ATOM 518 CB ILE A 39 4.032 -2.877 5.000 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.279 -1.996 5.093 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.873 -2.159 4.305 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.967 -1.874 3.732 1.00 0.00 C ATOM 0 H ILE A 39 5.462 -4.367 6.385 1.00 0.00 H new ATOM 0 HA ILE A 39 3.356 -2.492 6.958 1.00 0.00 H new ATOM 0 HB ILE A 39 4.292 -3.739 4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.003 -1.006 5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.974 -2.418 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.197 -1.810 3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.037 -2.848 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.559 -1.307 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.850 -1.243 3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.264 -2.864 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.278 -1.429 3.014 1.00 0.00 H new ATOM 533 N GLU A 40 2.618 -5.577 6.346 1.00 0.00 N ATOM 534 CA GLU A 40 1.533 -6.544 6.324 1.00 0.00 C ATOM 535 C GLU A 40 0.849 -6.605 7.691 1.00 0.00 C ATOM 536 O GLU A 40 -0.322 -6.249 7.820 1.00 0.00 O ATOM 537 CB GLU A 40 2.039 -7.925 5.902 1.00 0.00 C ATOM 538 CG GLU A 40 1.271 -9.034 6.625 1.00 0.00 C ATOM 539 CD GLU A 40 1.380 -10.359 5.869 1.00 0.00 C ATOM 540 OE1 GLU A 40 2.373 -10.507 5.124 1.00 0.00 O ATOM 541 OE2 GLU A 40 0.468 -11.194 6.052 1.00 0.00 O ATOM 0 H GLU A 40 3.553 -5.985 6.349 1.00 0.00 H new ATOM 0 HA GLU A 40 0.799 -6.221 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.928 -8.044 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.103 -8.010 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.663 -9.154 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.223 -8.752 6.722 1.00 0.00 H new ATOM 548 N ASP A 41 1.608 -7.058 8.678 1.00 0.00 N ATOM 549 CA ASP A 41 1.089 -7.170 10.031 1.00 0.00 C ATOM 550 C ASP A 41 0.266 -5.923 10.361 1.00 0.00 C ATOM 551 O ASP A 41 -0.862 -6.029 10.839 1.00 0.00 O ATOM 552 CB ASP A 41 2.226 -7.270 11.050 1.00 0.00 C ATOM 553 CG ASP A 41 1.790 -7.188 12.514 1.00 0.00 C ATOM 554 OD1 ASP A 41 1.069 -8.113 12.945 1.00 0.00 O ATOM 555 OD2 ASP A 41 2.188 -6.200 13.170 1.00 0.00 O ATOM 0 H ASP A 41 2.579 -7.352 8.568 1.00 0.00 H new ATOM 0 HA ASP A 41 0.477 -8.070 10.085 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.751 -8.213 10.895 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.941 -6.471 10.854 1.00 0.00 H new ATOM 560 N VAL A 42 0.863 -4.771 10.094 1.00 0.00 N ATOM 561 CA VAL A 42 0.200 -3.506 10.357 1.00 0.00 C ATOM 562 C VAL A 42 -1.256 -3.592 9.893 1.00 0.00 C ATOM 563 O VAL A 42 -2.175 -3.534 10.708 1.00 0.00 O ATOM 564 CB VAL A 42 0.972 -2.362 9.695 1.00 0.00 C ATOM 565 CG1 VAL A 42 0.049 -1.178 9.398 1.00 0.00 C ATOM 566 CG2 VAL A 42 2.158 -1.930 10.559 1.00 0.00 C ATOM 0 H VAL A 42 1.799 -4.687 9.698 1.00 0.00 H new ATOM 0 HA VAL A 42 0.189 -3.296 11.427 1.00 0.00 H new ATOM 0 HB VAL A 42 1.364 -2.727 8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.622 -0.379 8.928 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.747 -1.497 8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.386 -0.813 10.329 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.690 -1.116 10.066 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.797 -1.592 11.530 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.834 -2.774 10.697 1.00 0.00 H new ATOM 576 N PHE A 43 -1.419 -3.729 8.585 1.00 0.00 N ATOM 577 CA PHE A 43 -2.747 -3.823 8.003 1.00 0.00 C ATOM 578 C PHE A 43 -3.458 -5.098 8.462 1.00 0.00 C ATOM 579 O PHE A 43 -4.680 -5.118 8.596 1.00 0.00 O ATOM 580 CB PHE A 43 -2.567 -3.873 6.484 1.00 0.00 C ATOM 581 CG PHE A 43 -2.374 -2.501 5.836 1.00 0.00 C ATOM 582 CD1 PHE A 43 -1.185 -1.851 5.959 1.00 0.00 C ATOM 583 CD2 PHE A 43 -3.391 -1.930 5.135 1.00 0.00 C ATOM 584 CE1 PHE A 43 -1.006 -0.578 5.357 1.00 0.00 C ATOM 585 CE2 PHE A 43 -3.211 -0.657 4.533 1.00 0.00 C ATOM 586 CZ PHE A 43 -2.023 -0.008 4.657 1.00 0.00 C ATOM 0 H PHE A 43 -0.654 -3.777 7.912 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.351 -2.970 8.314 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.705 -4.498 6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.439 -4.354 6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.377 -2.304 6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.335 -2.445 5.037 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.062 -0.062 5.455 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.018 -0.204 3.976 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.887 0.961 4.199 1.00 0.00 H new ATOM 596 N TYR A 44 -2.661 -6.131 8.692 1.00 0.00 N ATOM 597 CA TYR A 44 -3.198 -7.407 9.133 1.00 0.00 C ATOM 598 C TYR A 44 -4.074 -7.233 10.376 1.00 0.00 C ATOM 599 O TYR A 44 -4.883 -8.102 10.697 1.00 0.00 O ATOM 600 CB TYR A 44 -1.989 -8.272 9.493 1.00 0.00 C ATOM 601 CG TYR A 44 -2.245 -9.777 9.384 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.834 -10.455 10.432 1.00 0.00 C ATOM 603 CD2 TYR A 44 -1.888 -10.456 8.237 1.00 0.00 C ATOM 604 CE1 TYR A 44 -3.075 -11.870 10.329 1.00 0.00 C ATOM 605 CE2 TYR A 44 -2.129 -11.872 8.134 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.711 -12.509 9.185 1.00 0.00 C ATOM 607 OH TYR A 44 -2.939 -13.846 9.088 1.00 0.00 O ATOM 0 H TYR A 44 -1.647 -6.110 8.581 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.814 -7.854 8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.158 -8.007 8.839 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.679 -8.039 10.512 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.114 -9.924 11.329 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.428 -9.925 7.417 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.535 -12.412 11.142 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.854 -12.416 7.242 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.629 -14.168 8.216 1.00 0.00 H new ATOM 617 N LYS A 45 -3.882 -6.104 11.042 1.00 0.00 N ATOM 618 CA LYS A 45 -4.644 -5.804 12.243 1.00 0.00 C ATOM 619 C LYS A 45 -6.138 -5.863 11.921 1.00 0.00 C ATOM 620 O LYS A 45 -6.967 -5.986 12.822 1.00 0.00 O ATOM 621 CB LYS A 45 -4.196 -4.470 12.843 1.00 0.00 C ATOM 622 CG LYS A 45 -4.706 -3.294 12.007 1.00 0.00 C ATOM 623 CD LYS A 45 -6.061 -2.803 12.520 1.00 0.00 C ATOM 624 CE LYS A 45 -5.884 -1.794 13.656 1.00 0.00 C ATOM 625 NZ LYS A 45 -6.280 -2.395 14.949 1.00 0.00 N ATOM 0 H LYS A 45 -3.210 -5.386 10.773 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.453 -6.552 13.012 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.568 -4.383 13.864 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.108 -4.438 12.896 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.983 -2.479 12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.796 -3.597 10.964 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.618 -2.343 11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.650 -3.651 12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.845 -1.468 13.703 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.487 -0.907 13.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.656 -2.042 15.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.264 -2.136 15.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.199 -3.430 14.890 1.00 0.00 H new ATOM 639 N TYR A 46 -6.438 -5.772 10.633 1.00 0.00 N ATOM 640 CA TYR A 46 -7.818 -5.814 10.181 1.00 0.00 C ATOM 641 C TYR A 46 -8.206 -7.224 9.732 1.00 0.00 C ATOM 642 O TYR A 46 -9.179 -7.791 10.226 1.00 0.00 O ATOM 643 CB TYR A 46 -7.897 -4.869 8.981 1.00 0.00 C ATOM 644 CG TYR A 46 -7.968 -3.388 9.358 1.00 0.00 C ATOM 645 CD1 TYR A 46 -9.167 -2.834 9.757 1.00 0.00 C ATOM 646 CD2 TYR A 46 -6.832 -2.606 9.300 1.00 0.00 C ATOM 647 CE1 TYR A 46 -9.234 -1.440 10.112 1.00 0.00 C ATOM 648 CE2 TYR A 46 -6.899 -1.212 9.655 1.00 0.00 C ATOM 649 CZ TYR A 46 -8.097 -0.698 10.044 1.00 0.00 C ATOM 650 OH TYR A 46 -8.159 0.619 10.379 1.00 0.00 O ATOM 0 H TYR A 46 -5.748 -5.669 9.888 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.494 -5.526 10.986 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -7.025 -5.030 8.347 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.775 -5.125 8.388 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.056 -3.446 9.803 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.893 -3.040 8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.166 -0.994 10.425 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.018 -0.589 9.613 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.685 0.764 11.224 1.00 0.00 H new ATOM 660 N GLY A 47 -7.425 -7.749 8.799 1.00 0.00 N ATOM 661 CA GLY A 47 -7.674 -9.082 8.278 1.00 0.00 C ATOM 662 C GLY A 47 -6.375 -9.736 7.802 1.00 0.00 C ATOM 663 O GLY A 47 -5.349 -9.648 8.475 1.00 0.00 O ATOM 0 H GLY A 47 -6.619 -7.275 8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.134 -9.698 9.051 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.382 -9.027 7.451 1.00 0.00 H new ATOM 667 N ALA A 48 -6.462 -10.378 6.646 1.00 0.00 N ATOM 668 CA ALA A 48 -5.307 -11.048 6.073 1.00 0.00 C ATOM 669 C ALA A 48 -5.047 -10.496 4.670 1.00 0.00 C ATOM 670 O ALA A 48 -5.982 -10.119 3.965 1.00 0.00 O ATOM 671 CB ALA A 48 -5.542 -12.560 6.071 1.00 0.00 C ATOM 0 H ALA A 48 -7.315 -10.448 6.091 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.417 -10.858 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.675 -13.062 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.692 -12.906 7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.426 -12.790 5.477 1.00 0.00 H new ATOM 677 N ILE A 49 -3.773 -10.465 4.307 1.00 0.00 N ATOM 678 CA ILE A 49 -3.379 -9.966 3.001 1.00 0.00 C ATOM 679 C ILE A 49 -3.201 -11.144 2.042 1.00 0.00 C ATOM 680 O ILE A 49 -2.772 -12.222 2.449 1.00 0.00 O ATOM 681 CB ILE A 49 -2.139 -9.077 3.120 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.418 -7.862 4.007 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.622 -8.670 1.738 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.158 -7.435 4.763 1.00 0.00 C ATOM 0 H ILE A 49 -3.000 -10.778 4.895 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.160 -9.331 2.584 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.350 -9.654 3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.777 -7.035 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.210 -8.100 4.717 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.741 -8.039 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.359 -9.563 1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.398 -8.118 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.383 -6.570 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.816 -8.256 5.393 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.376 -7.175 4.049 1.00 0.00 H new ATOM 696 N ARG A 50 -3.541 -10.899 0.785 1.00 0.00 N ATOM 697 CA ARG A 50 -3.425 -11.926 -0.236 1.00 0.00 C ATOM 698 C ARG A 50 -2.020 -11.916 -0.841 1.00 0.00 C ATOM 699 O ARG A 50 -1.519 -12.953 -1.275 1.00 0.00 O ATOM 700 CB ARG A 50 -4.454 -11.716 -1.349 1.00 0.00 C ATOM 701 CG ARG A 50 -4.222 -12.694 -2.502 1.00 0.00 C ATOM 702 CD ARG A 50 -5.532 -13.358 -2.930 1.00 0.00 C ATOM 703 NE ARG A 50 -5.666 -13.309 -4.404 1.00 0.00 N ATOM 704 CZ ARG A 50 -6.171 -12.267 -5.078 1.00 0.00 C ATOM 705 NH1 ARG A 50 -6.593 -11.181 -4.415 1.00 0.00 N ATOM 706 NH2 ARG A 50 -6.255 -12.311 -6.414 1.00 0.00 N ATOM 0 H ARG A 50 -3.897 -10.004 0.450 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.613 -12.889 0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.459 -11.851 -0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.392 -10.692 -1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.784 -12.166 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.506 -13.457 -2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.553 -14.393 -2.589 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.376 -12.851 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.354 -14.119 -4.940 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.530 -11.148 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.977 -10.388 -4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.935 -13.138 -6.918 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.639 -11.518 -6.927 1.00 0.00 H new ATOM 720 N ASP A 51 -1.423 -10.733 -0.852 1.00 0.00 N ATOM 721 CA ASP A 51 -0.086 -10.574 -1.397 1.00 0.00 C ATOM 722 C ASP A 51 0.316 -9.100 -1.329 1.00 0.00 C ATOM 723 O ASP A 51 -0.540 -8.223 -1.220 1.00 0.00 O ATOM 724 CB ASP A 51 -0.033 -11.012 -2.862 1.00 0.00 C ATOM 725 CG ASP A 51 1.354 -10.948 -3.506 1.00 0.00 C ATOM 726 OD1 ASP A 51 2.293 -11.492 -2.886 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.443 -10.358 -4.605 1.00 0.00 O ATOM 0 H ASP A 51 -1.841 -9.875 -0.492 1.00 0.00 H new ATOM 0 HA ASP A 51 0.593 -11.193 -0.811 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.404 -12.035 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.714 -10.385 -3.438 1.00 0.00 H new ATOM 732 N ILE A 52 1.620 -8.871 -1.397 1.00 0.00 N ATOM 733 CA ILE A 52 2.146 -7.517 -1.345 1.00 0.00 C ATOM 734 C ILE A 52 3.204 -7.344 -2.436 1.00 0.00 C ATOM 735 O ILE A 52 4.046 -8.219 -2.634 1.00 0.00 O ATOM 736 CB ILE A 52 2.653 -7.194 0.062 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.502 -7.177 1.070 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.443 -5.884 0.072 1.00 0.00 C ATOM 739 CD1 ILE A 52 2.004 -7.492 2.480 1.00 0.00 C ATOM 0 H ILE A 52 2.327 -9.600 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 52 1.357 -6.793 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 52 3.337 -7.985 0.369 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.021 -6.199 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.747 -7.907 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.792 -5.677 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.299 -5.970 -0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.801 -5.069 -0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.166 -7.474 3.177 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.463 -8.481 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.741 -6.747 2.779 1.00 0.00 H new ATOM 751 N ASP A 53 3.128 -6.209 -3.115 1.00 0.00 N ATOM 752 CA ASP A 53 4.069 -5.909 -4.180 1.00 0.00 C ATOM 753 C ASP A 53 4.914 -4.697 -3.782 1.00 0.00 C ATOM 754 O ASP A 53 4.460 -3.559 -3.884 1.00 0.00 O ATOM 755 CB ASP A 53 3.338 -5.569 -5.481 1.00 0.00 C ATOM 756 CG ASP A 53 3.236 -6.720 -6.484 1.00 0.00 C ATOM 757 OD1 ASP A 53 2.264 -7.496 -6.359 1.00 0.00 O ATOM 758 OD2 ASP A 53 4.131 -6.797 -7.353 1.00 0.00 O ATOM 0 H ASP A 53 2.429 -5.486 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 53 4.693 -6.789 -4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.331 -5.229 -5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.849 -4.734 -5.960 1.00 0.00 H new ATOM 763 N LEU A 54 6.129 -4.983 -3.338 1.00 0.00 N ATOM 764 CA LEU A 54 7.042 -3.931 -2.924 1.00 0.00 C ATOM 765 C LEU A 54 7.969 -3.579 -4.089 1.00 0.00 C ATOM 766 O LEU A 54 8.729 -4.424 -4.560 1.00 0.00 O ATOM 767 CB LEU A 54 7.783 -4.336 -1.649 1.00 0.00 C ATOM 768 CG LEU A 54 8.465 -3.202 -0.881 1.00 0.00 C ATOM 769 CD1 LEU A 54 9.693 -3.713 -0.125 1.00 0.00 C ATOM 770 CD2 LEU A 54 8.809 -2.038 -1.813 1.00 0.00 C ATOM 0 H LEU A 54 6.503 -5.929 -3.256 1.00 0.00 H new ATOM 0 HA LEU A 54 6.490 -3.026 -2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.075 -4.826 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.539 -5.076 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 54 7.764 -2.823 -0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.159 -2.887 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.389 -4.482 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.407 -4.134 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.293 -1.245 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.484 -2.385 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.896 -1.653 -2.267 1.00 0.00 H new ATOM 782 N LYS A 55 7.875 -2.330 -4.522 1.00 0.00 N ATOM 783 CA LYS A 55 8.696 -1.856 -5.623 1.00 0.00 C ATOM 784 C LYS A 55 10.071 -1.448 -5.090 1.00 0.00 C ATOM 785 O LYS A 55 10.990 -2.264 -5.044 1.00 0.00 O ATOM 786 CB LYS A 55 7.977 -0.742 -6.386 1.00 0.00 C ATOM 787 CG LYS A 55 6.772 -1.291 -7.152 1.00 0.00 C ATOM 788 CD LYS A 55 6.997 -1.206 -8.663 1.00 0.00 C ATOM 789 CE LYS A 55 5.667 -1.235 -9.418 1.00 0.00 C ATOM 790 NZ LYS A 55 5.877 -1.644 -10.825 1.00 0.00 N ATOM 0 H LYS A 55 7.243 -1.632 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 55 8.859 -2.654 -6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.649 0.028 -5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.669 -0.268 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.596 -2.328 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.878 -0.729 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.536 -0.289 -8.903 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.622 -2.037 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.981 -1.928 -8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.202 -0.250 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.964 -1.658 -11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.515 -0.968 -11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.300 -2.594 -10.851 1.00 0.00 H new ATOM 804 N ASN A 56 10.168 -0.185 -4.700 1.00 0.00 N ATOM 805 CA ASN A 56 11.416 0.341 -4.172 1.00 0.00 C ATOM 806 C ASN A 56 12.489 0.285 -5.261 1.00 0.00 C ATOM 807 O ASN A 56 13.104 -0.758 -5.478 1.00 0.00 O ATOM 808 CB ASN A 56 11.904 -0.489 -2.983 1.00 0.00 C ATOM 809 CG ASN A 56 12.844 0.327 -2.094 1.00 0.00 C ATOM 810 OD1 ASN A 56 13.355 1.367 -2.477 1.00 0.00 O ATOM 811 ND2 ASN A 56 13.044 -0.200 -0.890 1.00 0.00 N ATOM 0 H ASN A 56 9.403 0.489 -4.739 1.00 0.00 H new ATOM 0 HA ASN A 56 11.240 1.366 -3.847 1.00 0.00 H new ATOM 0 HB2 ASN A 56 11.050 -0.830 -2.398 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.420 -1.379 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.656 0.270 -0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.585 -1.074 -0.633 1.00 0.00 H new ATOM 818 N ARG A 57 12.682 1.420 -5.916 1.00 0.00 N ATOM 819 CA ARG A 57 13.671 1.513 -6.976 1.00 0.00 C ATOM 820 C ARG A 57 13.671 2.919 -7.580 1.00 0.00 C ATOM 821 O ARG A 57 13.236 3.111 -8.715 1.00 0.00 O ATOM 822 CB ARG A 57 13.393 0.491 -8.080 1.00 0.00 C ATOM 823 CG ARG A 57 14.671 0.155 -8.851 1.00 0.00 C ATOM 824 CD ARG A 57 14.348 -0.322 -10.268 1.00 0.00 C ATOM 825 NE ARG A 57 14.276 0.836 -11.188 1.00 0.00 N ATOM 826 CZ ARG A 57 15.344 1.415 -11.751 1.00 0.00 C ATOM 827 NH1 ARG A 57 16.574 0.949 -11.493 1.00 0.00 N ATOM 828 NH2 ARG A 57 15.184 2.462 -12.573 1.00 0.00 N ATOM 0 H ARG A 57 12.170 2.283 -5.733 1.00 0.00 H new ATOM 0 HA ARG A 57 14.647 1.302 -6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.978 -0.417 -7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 57 12.644 0.886 -8.766 1.00 0.00 H new ATOM 0 HG2 ARG A 57 15.314 1.034 -8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 57 15.227 -0.619 -8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 57 15.112 -1.021 -10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 57 13.400 -0.860 -10.272 1.00 0.00 H new ATOM 0 HE ARG A 57 13.355 1.216 -11.407 1.00 0.00 H new ATOM 0 HH11 ARG A 57 16.697 0.153 -10.867 1.00 0.00 H new ATOM 0 HH12 ARG A 57 17.387 1.391 -11.922 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.248 2.818 -12.770 1.00 0.00 H new ATOM 0 HH22 ARG A 57 15.998 2.903 -13.002 1.00 0.00 H new ATOM 842 N ARG A 58 14.163 3.866 -6.796 1.00 0.00 N ATOM 843 CA ARG A 58 14.225 5.248 -7.239 1.00 0.00 C ATOM 844 C ARG A 58 12.820 5.770 -7.546 1.00 0.00 C ATOM 845 O ARG A 58 11.913 4.991 -7.833 1.00 0.00 O ATOM 846 CB ARG A 58 15.098 5.388 -8.488 1.00 0.00 C ATOM 847 CG ARG A 58 16.569 5.575 -8.110 1.00 0.00 C ATOM 848 CD ARG A 58 17.426 5.827 -9.352 1.00 0.00 C ATOM 849 NE ARG A 58 18.845 5.987 -8.964 1.00 0.00 N ATOM 850 CZ ARG A 58 19.839 6.224 -9.831 1.00 0.00 C ATOM 851 NH1 ARG A 58 19.575 6.330 -11.140 1.00 0.00 N ATOM 852 NH2 ARG A 58 21.097 6.356 -9.388 1.00 0.00 N ATOM 0 H ARG A 58 14.523 3.703 -5.856 1.00 0.00 H new ATOM 0 HA ARG A 58 14.667 5.835 -6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 58 14.989 4.502 -9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.760 6.239 -9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 58 16.667 6.413 -7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 58 16.930 4.688 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 58 17.323 4.996 -10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 58 17.078 6.722 -9.868 1.00 0.00 H new ATOM 0 HE ARG A 58 19.081 5.912 -7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 58 18.617 6.230 -11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 58 20.332 6.510 -11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 58 21.298 6.276 -8.391 1.00 0.00 H new ATOM 0 HH22 ARG A 58 21.854 6.536 -10.048 1.00 0.00 H new ATOM 866 N GLY A 59 12.684 7.087 -7.476 1.00 0.00 N ATOM 867 CA GLY A 59 11.405 7.722 -7.744 1.00 0.00 C ATOM 868 C GLY A 59 10.658 8.021 -6.442 1.00 0.00 C ATOM 869 O GLY A 59 9.471 7.724 -6.321 1.00 0.00 O ATOM 0 H GLY A 59 13.438 7.731 -7.238 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.563 8.648 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.798 7.073 -8.375 1.00 0.00 H new ATOM 873 N GLY A 60 11.385 8.604 -5.501 1.00 0.00 N ATOM 874 CA GLY A 60 10.807 8.946 -4.213 1.00 0.00 C ATOM 875 C GLY A 60 11.042 7.831 -3.193 1.00 0.00 C ATOM 876 O GLY A 60 11.992 7.060 -3.318 1.00 0.00 O ATOM 0 H GLY A 60 12.370 8.848 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.246 9.875 -3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.737 9.121 -4.326 1.00 0.00 H new ATOM 880 N PRO A 61 10.137 7.779 -2.179 1.00 0.00 N ATOM 881 CA PRO A 61 10.237 6.771 -1.137 1.00 0.00 C ATOM 882 C PRO A 61 9.787 5.402 -1.654 1.00 0.00 C ATOM 883 O PRO A 61 9.298 5.289 -2.777 1.00 0.00 O ATOM 884 CB PRO A 61 9.370 7.290 -0.002 1.00 0.00 C ATOM 885 CG PRO A 61 8.452 8.332 -0.622 1.00 0.00 C ATOM 886 CD PRO A 61 8.999 8.676 -1.998 1.00 0.00 C ATOM 0 HA PRO A 61 11.262 6.616 -0.799 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.795 6.482 0.451 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.981 7.728 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.435 7.947 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.407 9.223 0.005 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.247 8.523 -2.772 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.305 9.721 -2.053 1.00 0.00 H new ATOM 894 N PRO A 62 9.976 4.371 -0.788 1.00 0.00 N ATOM 895 CA PRO A 62 9.595 3.015 -1.146 1.00 0.00 C ATOM 896 C PRO A 62 8.077 2.836 -1.083 1.00 0.00 C ATOM 897 O PRO A 62 7.455 3.134 -0.064 1.00 0.00 O ATOM 898 CB PRO A 62 10.339 2.125 -0.163 1.00 0.00 C ATOM 899 CG PRO A 62 10.738 3.026 0.995 1.00 0.00 C ATOM 900 CD PRO A 62 10.553 4.468 0.549 1.00 0.00 C ATOM 0 HA PRO A 62 9.860 2.761 -2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.706 1.306 0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.216 1.676 -0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.125 2.816 1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.774 2.845 1.280 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.894 5.011 1.226 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.503 5.002 0.533 1.00 0.00 H new ATOM 908 N PHE A 63 7.524 2.351 -2.185 1.00 0.00 N ATOM 909 CA PHE A 63 6.091 2.129 -2.267 1.00 0.00 C ATOM 910 C PHE A 63 5.778 0.655 -2.536 1.00 0.00 C ATOM 911 O PHE A 63 6.603 -0.066 -3.095 1.00 0.00 O ATOM 912 CB PHE A 63 5.575 2.968 -3.438 1.00 0.00 C ATOM 913 CG PHE A 63 6.305 2.711 -4.757 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.538 3.246 -4.968 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.722 1.948 -5.720 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.216 3.007 -6.193 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.400 1.709 -6.945 1.00 0.00 C ATOM 918 CZ PHE A 63 7.632 2.244 -7.155 1.00 0.00 C ATOM 0 H PHE A 63 8.043 2.106 -3.028 1.00 0.00 H new ATOM 0 HA PHE A 63 5.617 2.408 -1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.513 2.765 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.667 4.024 -3.183 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.001 3.853 -4.204 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.743 1.524 -5.553 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.195 3.431 -6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.937 1.102 -7.709 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.147 2.063 -8.087 1.00 0.00 H new ATOM 928 N ALA A 64 4.585 0.252 -2.125 1.00 0.00 N ATOM 929 CA ALA A 64 4.154 -1.123 -2.314 1.00 0.00 C ATOM 930 C ALA A 64 2.626 -1.186 -2.252 1.00 0.00 C ATOM 931 O ALA A 64 1.987 -0.299 -1.688 1.00 0.00 O ATOM 932 CB ALA A 64 4.818 -2.015 -1.264 1.00 0.00 C ATOM 0 H ALA A 64 3.903 0.853 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 64 4.460 -1.491 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.495 -3.046 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.901 -1.957 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.532 -1.679 -0.267 1.00 0.00 H new ATOM 938 N PHE A 65 2.086 -2.244 -2.838 1.00 0.00 N ATOM 939 CA PHE A 65 0.645 -2.435 -2.856 1.00 0.00 C ATOM 940 C PHE A 65 0.241 -3.642 -2.007 1.00 0.00 C ATOM 941 O PHE A 65 1.004 -4.598 -1.878 1.00 0.00 O ATOM 942 CB PHE A 65 0.247 -2.694 -4.310 1.00 0.00 C ATOM 943 CG PHE A 65 0.187 -1.432 -5.173 1.00 0.00 C ATOM 944 CD1 PHE A 65 1.322 -0.940 -5.738 1.00 0.00 C ATOM 945 CD2 PHE A 65 -1.001 -0.802 -5.376 1.00 0.00 C ATOM 946 CE1 PHE A 65 1.267 0.231 -6.539 1.00 0.00 C ATOM 947 CE2 PHE A 65 -1.056 0.369 -6.177 1.00 0.00 C ATOM 948 CZ PHE A 65 0.079 0.861 -6.742 1.00 0.00 C ATOM 0 H PHE A 65 2.620 -2.978 -3.304 1.00 0.00 H new ATOM 0 HA PHE A 65 0.148 -1.555 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.959 -3.391 -4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.728 -3.181 -4.328 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.266 -1.440 -5.577 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.903 -1.192 -4.928 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.169 0.621 -6.987 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.000 0.869 -6.338 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.037 1.752 -7.352 1.00 0.00 H new ATOM 958 N VAL A 66 -0.957 -3.558 -1.449 1.00 0.00 N ATOM 959 CA VAL A 66 -1.472 -4.631 -0.615 1.00 0.00 C ATOM 960 C VAL A 66 -2.809 -5.114 -1.180 1.00 0.00 C ATOM 961 O VAL A 66 -3.698 -4.309 -1.453 1.00 0.00 O ATOM 962 CB VAL A 66 -1.571 -4.163 0.838 1.00 0.00 C ATOM 963 CG1 VAL A 66 -2.000 -5.310 1.756 1.00 0.00 C ATOM 964 CG2 VAL A 66 -0.250 -3.550 1.308 1.00 0.00 C ATOM 0 H VAL A 66 -1.587 -2.763 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.790 -5.481 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.337 -3.389 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.063 -4.950 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.975 -5.682 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.268 -6.116 1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.348 -3.226 2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.543 -4.294 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.003 -2.693 0.681 1.00 0.00 H new ATOM 974 N GLU A 67 -2.909 -6.425 -1.339 1.00 0.00 N ATOM 975 CA GLU A 67 -4.123 -7.025 -1.866 1.00 0.00 C ATOM 976 C GLU A 67 -4.854 -7.799 -0.767 1.00 0.00 C ATOM 977 O GLU A 67 -4.465 -8.914 -0.425 1.00 0.00 O ATOM 978 CB GLU A 67 -3.814 -7.929 -3.061 1.00 0.00 C ATOM 979 CG GLU A 67 -5.101 -8.398 -3.741 1.00 0.00 C ATOM 980 CD GLU A 67 -4.971 -8.332 -5.265 1.00 0.00 C ATOM 981 OE1 GLU A 67 -3.864 -8.644 -5.754 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.982 -7.972 -5.905 1.00 0.00 O ATOM 0 H GLU A 67 -2.169 -7.089 -1.112 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.777 -6.226 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.195 -7.390 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.238 -8.793 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.327 -9.420 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.936 -7.777 -3.416 1.00 0.00 H new ATOM 989 N PHE A 68 -5.900 -7.176 -0.245 1.00 0.00 N ATOM 990 CA PHE A 68 -6.689 -7.793 0.809 1.00 0.00 C ATOM 991 C PHE A 68 -7.575 -8.907 0.249 1.00 0.00 C ATOM 992 O PHE A 68 -7.819 -8.965 -0.955 1.00 0.00 O ATOM 993 CB PHE A 68 -7.579 -6.698 1.400 1.00 0.00 C ATOM 994 CG PHE A 68 -6.951 -5.957 2.583 1.00 0.00 C ATOM 995 CD1 PHE A 68 -6.928 -6.536 3.813 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.415 -4.720 2.403 1.00 0.00 C ATOM 997 CE1 PHE A 68 -6.346 -5.848 4.911 1.00 0.00 C ATOM 998 CE2 PHE A 68 -5.833 -4.032 3.500 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.810 -4.611 4.731 1.00 0.00 C ATOM 0 H PHE A 68 -6.220 -6.251 -0.532 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.031 -8.231 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.818 -5.977 0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.520 -7.143 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.352 -7.519 3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.432 -4.261 1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.329 -6.307 5.888 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.409 -3.049 3.357 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.366 -4.088 5.565 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.034 -9.764 1.150 1.00 0.00 N ATOM 1010 CA GLU A 69 -8.888 -10.873 0.761 1.00 0.00 C ATOM 1011 C GLU A 69 -10.326 -10.390 0.560 1.00 0.00 C ATOM 1012 O GLU A 69 -11.131 -11.073 -0.071 1.00 0.00 O ATOM 1013 CB GLU A 69 -8.827 -12.000 1.794 1.00 0.00 C ATOM 1014 CG GLU A 69 -7.498 -12.753 1.706 1.00 0.00 C ATOM 1015 CD GLU A 69 -7.421 -13.582 0.423 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -8.490 -14.071 -0.002 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -6.294 -13.708 -0.104 1.00 0.00 O ATOM 0 H GLU A 69 -7.830 -9.712 2.148 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.524 -11.272 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.950 -11.587 2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.653 -12.692 1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.671 -12.043 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.388 -13.406 2.572 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.604 -9.216 1.108 1.00 0.00 N ATOM 1025 CA ASP A 70 -11.931 -8.635 0.997 1.00 0.00 C ATOM 1026 C ASP A 70 -11.805 -7.123 0.795 1.00 0.00 C ATOM 1027 O ASP A 70 -10.814 -6.519 1.202 1.00 0.00 O ATOM 1028 CB ASP A 70 -12.747 -8.875 2.269 1.00 0.00 C ATOM 1029 CG ASP A 70 -13.349 -10.276 2.395 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -12.553 -11.220 2.589 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -14.591 -10.371 2.295 1.00 0.00 O ATOM 0 H ASP A 70 -9.933 -8.652 1.630 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.435 -9.105 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.108 -8.691 3.133 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.554 -8.144 2.308 1.00 0.00 H new ATOM 1036 N PRO A 71 -12.851 -6.540 0.150 1.00 0.00 N ATOM 1037 CA PRO A 71 -12.867 -5.111 -0.110 1.00 0.00 C ATOM 1038 C PRO A 71 -13.170 -4.324 1.166 1.00 0.00 C ATOM 1039 O PRO A 71 -12.443 -3.396 1.515 1.00 0.00 O ATOM 1040 CB PRO A 71 -13.919 -4.920 -1.190 1.00 0.00 C ATOM 1041 CG PRO A 71 -14.777 -6.174 -1.164 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.042 -7.224 -0.346 1.00 0.00 C ATOM 0 HA PRO A 71 -11.900 -4.733 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.520 -4.032 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.455 -4.784 -2.167 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.751 -5.961 -0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.956 -6.535 -2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.659 -7.590 0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.778 -8.088 -0.956 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.246 -4.724 1.828 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.655 -4.068 3.058 1.00 0.00 C ATOM 1052 C ARG A 72 -13.429 -3.691 3.892 1.00 0.00 C ATOM 1053 O ARG A 72 -13.222 -2.519 4.204 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.568 -4.973 3.888 1.00 0.00 C ATOM 1055 CG ARG A 72 -16.855 -5.299 3.127 1.00 0.00 C ATOM 1056 CD ARG A 72 -17.966 -5.729 4.087 1.00 0.00 C ATOM 1057 NE ARG A 72 -19.114 -6.268 3.324 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.315 -6.529 3.858 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.532 -6.302 5.160 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -21.298 -7.016 3.089 1.00 0.00 N ATOM 0 H ARG A 72 -14.847 -5.494 1.535 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.205 -3.167 2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.044 -5.896 4.135 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.813 -4.483 4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.177 -4.426 2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.664 -6.094 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.590 -6.485 4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.286 -4.879 4.690 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.983 -6.452 2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.783 -5.931 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.446 -6.500 5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.132 -7.188 2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.212 -7.215 3.495 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.647 -4.706 4.228 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.446 -4.496 5.019 1.00 0.00 C ATOM 1076 C ASP A 73 -10.510 -3.542 4.274 1.00 0.00 C ATOM 1077 O ASP A 73 -10.162 -2.480 4.788 1.00 0.00 O ATOM 1078 CB ASP A 73 -10.698 -5.812 5.245 1.00 0.00 C ATOM 1079 CG ASP A 73 -11.471 -6.866 6.040 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -12.383 -6.456 6.789 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -11.131 -8.058 5.881 1.00 0.00 O ATOM 0 H ASP A 73 -12.821 -5.676 3.967 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.745 -4.081 5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.432 -6.233 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.765 -5.597 5.766 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.128 -3.956 3.074 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.239 -3.151 2.253 1.00 0.00 C ATOM 1088 C ALA A 74 -9.668 -1.685 2.330 1.00 0.00 C ATOM 1089 O ALA A 74 -8.830 -0.786 2.290 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.245 -3.686 0.819 1.00 0.00 C ATOM 0 H ALA A 74 -10.418 -4.838 2.651 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.215 -3.214 2.621 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.578 -3.083 0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.904 -4.721 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.257 -3.635 0.416 1.00 0.00 H new ATOM 1096 N GLU A 75 -10.974 -1.488 2.440 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.525 -0.146 2.523 1.00 0.00 C ATOM 1098 C GLU A 75 -11.341 0.416 3.934 1.00 0.00 C ATOM 1099 O GLU A 75 -10.766 1.490 4.108 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.999 -0.132 2.114 1.00 0.00 C ATOM 1101 CG GLU A 75 -13.180 -0.672 0.695 1.00 0.00 C ATOM 1102 CD GLU A 75 -14.124 0.219 -0.115 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -15.316 0.268 0.257 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -13.632 0.831 -1.088 1.00 0.00 O ATOM 0 H GLU A 75 -11.667 -2.236 2.474 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.983 0.493 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.580 -0.734 2.813 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.386 0.885 2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.212 -0.729 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -13.577 -1.686 0.736 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.840 -0.334 4.905 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.739 0.076 6.295 1.00 0.00 C ATOM 1113 C ASP A 76 -10.268 0.312 6.647 1.00 0.00 C ATOM 1114 O ASP A 76 -9.962 0.998 7.621 1.00 0.00 O ATOM 1115 CB ASP A 76 -12.280 -1.007 7.230 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.768 -0.888 7.564 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.252 0.264 7.598 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -14.388 -1.952 7.778 1.00 0.00 O ATOM 0 H ASP A 76 -12.316 -1.224 4.757 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.325 0.987 6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -12.102 -1.981 6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.711 -0.981 8.159 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.398 -0.268 5.833 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.967 -0.129 6.046 1.00 0.00 C ATOM 1125 C ALA A 77 -7.468 1.123 5.323 1.00 0.00 C ATOM 1126 O ALA A 77 -6.990 2.062 5.959 1.00 0.00 O ATOM 1127 CB ALA A 77 -7.255 -1.398 5.573 1.00 0.00 C ATOM 0 H ALA A 77 -9.656 -0.835 5.025 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.747 -0.007 7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.182 -1.294 5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.624 -2.254 6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.451 -1.551 4.512 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.596 1.097 4.005 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.163 2.219 3.189 1.00 0.00 C ATOM 1135 C VAL A 78 -7.605 3.526 3.851 1.00 0.00 C ATOM 1136 O VAL A 78 -6.904 4.533 3.773 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.692 2.063 1.762 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -9.090 2.669 1.626 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.726 2.680 0.748 1.00 0.00 C ATOM 0 H VAL A 78 -7.993 0.317 3.481 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.076 2.242 3.118 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.767 0.997 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.442 2.545 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.773 2.164 2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.052 3.731 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.126 2.555 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.604 3.742 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.759 2.183 0.818 1.00 0.00 H new ATOM 1149 N TYR A 79 -8.765 3.467 4.487 1.00 0.00 N ATOM 1150 CA TYR A 79 -9.309 4.633 5.162 1.00 0.00 C ATOM 1151 C TYR A 79 -8.610 4.866 6.503 1.00 0.00 C ATOM 1152 O TYR A 79 -8.254 5.996 6.834 1.00 0.00 O ATOM 1153 CB TYR A 79 -10.785 4.322 5.418 1.00 0.00 C ATOM 1154 CG TYR A 79 -11.639 4.270 4.149 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.385 5.144 3.111 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -12.662 3.350 4.042 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -12.189 5.095 1.916 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -13.465 3.301 2.848 1.00 0.00 C ATOM 1159 CZ TYR A 79 -13.189 4.176 1.844 1.00 0.00 C ATOM 1160 OH TYR A 79 -13.947 4.129 0.716 1.00 0.00 O ATOM 0 H TYR A 79 -9.344 2.630 4.549 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.169 5.527 4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.860 3.365 5.934 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.194 5.078 6.088 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.584 5.864 3.194 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -12.860 2.666 4.854 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.002 5.773 1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -14.268 2.586 2.752 1.00 0.00 H new ATOM 0 HH TYR A 79 -14.622 3.424 0.805 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.435 3.778 7.240 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.785 3.850 8.537 1.00 0.00 C ATOM 1172 C GLY A 80 -6.290 4.140 8.386 1.00 0.00 C ATOM 1173 O GLY A 80 -5.838 5.249 8.665 1.00 0.00 O ATOM 0 H GLY A 80 -8.732 2.842 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.251 4.630 9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.925 2.910 9.070 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.564 3.122 7.946 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.130 3.254 7.755 1.00 0.00 C ATOM 1179 C ARG A 81 -3.795 4.629 7.174 1.00 0.00 C ATOM 1180 O ARG A 81 -2.830 5.266 7.593 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.597 2.168 6.817 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.925 0.773 7.351 1.00 0.00 C ATOM 1183 CD ARG A 81 -3.550 0.650 8.830 1.00 0.00 C ATOM 1184 NE ARG A 81 -4.614 1.240 9.672 1.00 0.00 N ATOM 1185 CZ ARG A 81 -4.414 1.721 10.907 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -3.190 1.683 11.451 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -5.439 2.239 11.599 1.00 0.00 N ATOM 0 H ARG A 81 -5.942 2.203 7.717 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.655 3.143 8.730 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.032 2.293 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.518 2.275 6.707 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.989 0.572 7.224 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.387 0.022 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.407 -0.398 9.092 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.603 1.157 9.017 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.558 1.283 9.289 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.410 1.288 10.925 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.038 2.049 12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.371 2.267 11.186 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.287 2.605 12.539 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.612 5.047 6.217 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.415 6.335 5.575 1.00 0.00 C ATOM 1203 C ASP A 82 -4.121 7.392 6.641 1.00 0.00 C ATOM 1204 O ASP A 82 -5.040 7.934 7.252 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.669 6.767 4.813 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.848 8.280 4.668 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -5.172 8.850 3.786 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -6.658 8.832 5.444 1.00 0.00 O ATOM 0 H ASP A 82 -5.411 4.516 5.871 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.583 6.241 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.643 6.322 3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.543 6.360 5.321 1.00 0.00 H new ATOM 1213 N GLY A 83 -2.836 7.653 6.831 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.410 8.636 7.812 1.00 0.00 C ATOM 1215 C GLY A 83 -1.852 7.955 9.064 1.00 0.00 C ATOM 1216 O GLY A 83 -1.989 8.474 10.170 1.00 0.00 O ATOM 0 H GLY A 83 -2.076 7.201 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.649 9.284 7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.252 9.272 8.084 1.00 0.00 H new ATOM 1220 N TYR A 84 -1.234 6.803 8.846 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.655 6.046 9.942 1.00 0.00 C ATOM 1222 C TYR A 84 0.676 6.656 10.386 1.00 0.00 C ATOM 1223 O TYR A 84 1.263 7.465 9.669 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.401 4.640 9.395 1.00 0.00 C ATOM 1225 CG TYR A 84 0.123 3.651 10.439 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.707 3.212 11.450 1.00 0.00 C ATOM 1227 CD2 TYR A 84 1.425 3.200 10.370 1.00 0.00 C ATOM 1228 CE1 TYR A 84 -0.215 2.281 12.432 1.00 0.00 C ATOM 1229 CE2 TYR A 84 1.918 2.269 11.352 1.00 0.00 C ATOM 1230 CZ TYR A 84 1.073 1.856 12.335 1.00 0.00 C ATOM 1231 OH TYR A 84 1.539 0.977 13.263 1.00 0.00 O ATOM 0 H TYR A 84 -1.122 6.376 7.926 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.323 6.045 10.803 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.329 4.252 8.975 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.317 4.704 8.577 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.726 3.567 11.505 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.075 3.545 9.579 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.854 1.928 13.228 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.935 1.907 11.309 1.00 0.00 H new ATOM 0 HH TYR A 84 2.475 0.761 13.068 1.00 0.00 H new ATOM 1241 N ASP A 85 1.115 6.243 11.567 1.00 0.00 N ATOM 1242 CA ASP A 85 2.366 6.739 12.115 1.00 0.00 C ATOM 1243 C ASP A 85 3.296 5.558 12.400 1.00 0.00 C ATOM 1244 O ASP A 85 3.155 4.884 13.419 1.00 0.00 O ATOM 1245 CB ASP A 85 2.133 7.485 13.430 1.00 0.00 C ATOM 1246 CG ASP A 85 3.404 7.962 14.136 1.00 0.00 C ATOM 1247 OD1 ASP A 85 4.071 7.101 14.749 1.00 0.00 O ATOM 1248 OD2 ASP A 85 3.680 9.178 14.047 1.00 0.00 O ATOM 0 H ASP A 85 0.627 5.571 12.159 1.00 0.00 H new ATOM 0 HA ASP A 85 2.807 7.420 11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.499 8.349 13.233 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.582 6.833 14.108 1.00 0.00 H new ATOM 1253 N TYR A 86 4.226 5.343 11.481 1.00 0.00 N ATOM 1254 CA TYR A 86 5.179 4.255 11.620 1.00 0.00 C ATOM 1255 C TYR A 86 6.504 4.758 12.196 1.00 0.00 C ATOM 1256 O TYR A 86 7.378 5.204 11.454 1.00 0.00 O ATOM 1257 CB TYR A 86 5.420 3.722 10.207 1.00 0.00 C ATOM 1258 CG TYR A 86 6.194 2.403 10.163 1.00 0.00 C ATOM 1259 CD1 TYR A 86 7.561 2.398 10.354 1.00 0.00 C ATOM 1260 CD2 TYR A 86 5.525 1.218 9.932 1.00 0.00 C ATOM 1261 CE1 TYR A 86 8.289 1.157 10.312 1.00 0.00 C ATOM 1262 CE2 TYR A 86 6.253 -0.024 9.890 1.00 0.00 C ATOM 1263 CZ TYR A 86 7.599 0.007 10.082 1.00 0.00 C ATOM 1264 OH TYR A 86 8.287 -1.166 10.043 1.00 0.00 O ATOM 0 H TYR A 86 4.340 5.904 10.637 1.00 0.00 H new ATOM 0 HA TYR A 86 4.793 3.490 12.294 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.458 3.584 9.713 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.967 4.472 9.635 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.084 3.325 10.535 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.455 1.222 9.783 1.00 0.00 H new ATOM 0 HE1 TYR A 86 9.359 1.139 10.460 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.742 -0.958 9.710 1.00 0.00 H new ATOM 0 HH TYR A 86 9.197 -1.001 9.720 1.00 0.00 H new ATOM 1274 N ASP A 87 6.612 4.669 13.513 1.00 0.00 N ATOM 1275 CA ASP A 87 7.816 5.109 14.197 1.00 0.00 C ATOM 1276 C ASP A 87 8.137 6.546 13.782 1.00 0.00 C ATOM 1277 O ASP A 87 9.302 6.904 13.621 1.00 0.00 O ATOM 1278 CB ASP A 87 9.013 4.231 13.825 1.00 0.00 C ATOM 1279 CG ASP A 87 10.205 4.325 14.779 1.00 0.00 C ATOM 1280 OD1 ASP A 87 10.086 5.086 15.764 1.00 0.00 O ATOM 1281 OD2 ASP A 87 11.210 3.634 14.502 1.00 0.00 O ATOM 0 H ASP A 87 5.885 4.298 14.125 1.00 0.00 H new ATOM 0 HA ASP A 87 7.638 5.041 15.270 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.683 3.193 13.781 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.346 4.503 12.823 1.00 0.00 H new ATOM 1286 N GLY A 88 7.081 7.331 13.622 1.00 0.00 N ATOM 1287 CA GLY A 88 7.236 8.721 13.229 1.00 0.00 C ATOM 1288 C GLY A 88 6.957 8.903 11.735 1.00 0.00 C ATOM 1289 O GLY A 88 6.347 9.892 11.330 1.00 0.00 O ATOM 0 H GLY A 88 6.116 7.031 13.757 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.555 9.345 13.808 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.248 9.057 13.457 1.00 0.00 H new ATOM 1293 N TYR A 89 7.417 7.934 10.958 1.00 0.00 N ATOM 1294 CA TYR A 89 7.225 7.975 9.518 1.00 0.00 C ATOM 1295 C TYR A 89 5.749 7.799 9.157 1.00 0.00 C ATOM 1296 O TYR A 89 5.211 6.695 9.245 1.00 0.00 O ATOM 1297 CB TYR A 89 8.020 6.796 8.953 1.00 0.00 C ATOM 1298 CG TYR A 89 9.528 6.890 9.193 1.00 0.00 C ATOM 1299 CD1 TYR A 89 10.321 7.611 8.324 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.095 6.255 10.279 1.00 0.00 C ATOM 1301 CE1 TYR A 89 11.741 7.700 8.550 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.514 6.344 10.505 1.00 0.00 C ATOM 1303 CZ TYR A 89 12.267 7.062 9.629 1.00 0.00 C ATOM 1304 OH TYR A 89 13.608 7.146 9.843 1.00 0.00 O ATOM 0 H TYR A 89 7.922 7.116 11.298 1.00 0.00 H new ATOM 0 HA TYR A 89 7.553 8.933 9.114 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.648 5.873 9.399 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.837 6.728 7.881 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.877 8.109 7.474 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.474 5.691 10.960 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.373 8.261 7.878 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.970 5.852 11.351 1.00 0.00 H new ATOM 0 HH TYR A 89 13.843 6.643 10.651 1.00 0.00 H new ATOM 1314 N ARG A 90 5.134 8.902 8.757 1.00 0.00 N ATOM 1315 CA ARG A 90 3.731 8.884 8.382 1.00 0.00 C ATOM 1316 C ARG A 90 3.552 8.192 7.029 1.00 0.00 C ATOM 1317 O ARG A 90 4.281 8.479 6.080 1.00 0.00 O ATOM 1318 CB ARG A 90 3.163 10.303 8.301 1.00 0.00 C ATOM 1319 CG ARG A 90 2.860 10.853 9.696 1.00 0.00 C ATOM 1320 CD ARG A 90 1.681 11.827 9.657 1.00 0.00 C ATOM 1321 NE ARG A 90 2.157 13.184 9.306 1.00 0.00 N ATOM 1322 CZ ARG A 90 1.348 14.216 9.032 1.00 0.00 C ATOM 1323 NH1 ARG A 90 0.018 14.052 9.065 1.00 0.00 N ATOM 1324 NH2 ARG A 90 1.868 15.411 8.723 1.00 0.00 N ATOM 0 H ARG A 90 5.583 9.815 8.684 1.00 0.00 H new ATOM 0 HA ARG A 90 3.190 8.332 9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.875 10.955 7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.253 10.300 7.702 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.634 10.030 10.374 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.741 11.359 10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.945 11.491 8.927 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.183 11.847 10.626 1.00 0.00 H new ATOM 0 HE ARG A 90 3.164 13.343 9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.378 13.142 9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.598 14.838 8.856 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.880 15.535 8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.252 16.197 8.514 1.00 0.00 H new ATOM 1338 N LEU A 91 2.578 7.295 6.983 1.00 0.00 N ATOM 1339 CA LEU A 91 2.294 6.561 5.762 1.00 0.00 C ATOM 1340 C LEU A 91 1.072 7.173 5.076 1.00 0.00 C ATOM 1341 O LEU A 91 0.169 7.677 5.742 1.00 0.00 O ATOM 1342 CB LEU A 91 2.150 5.066 6.057 1.00 0.00 C ATOM 1343 CG LEU A 91 3.268 4.436 6.890 1.00 0.00 C ATOM 1344 CD1 LEU A 91 2.951 2.976 7.218 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.622 4.586 6.194 1.00 0.00 C ATOM 0 H LEU A 91 1.976 7.060 7.772 1.00 0.00 H new ATOM 0 HA LEU A 91 3.127 6.646 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.204 4.908 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.086 4.533 5.108 1.00 0.00 H new ATOM 0 HG LEU A 91 3.332 4.972 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.762 2.552 7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.021 2.924 7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.844 2.410 6.293 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.399 4.130 6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.589 4.091 5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.844 5.644 6.055 1.00 0.00 H new ATOM 1357 N ARG A 92 1.081 7.109 3.753 1.00 0.00 N ATOM 1358 CA ARG A 92 -0.016 7.651 2.969 1.00 0.00 C ATOM 1359 C ARG A 92 -0.682 6.543 2.151 1.00 0.00 C ATOM 1360 O ARG A 92 -0.202 6.185 1.077 1.00 0.00 O ATOM 1361 CB ARG A 92 0.473 8.750 2.023 1.00 0.00 C ATOM 1362 CG ARG A 92 -0.606 9.814 1.815 1.00 0.00 C ATOM 1363 CD ARG A 92 -0.270 11.093 2.584 1.00 0.00 C ATOM 1364 NE ARG A 92 -1.492 11.639 3.216 1.00 0.00 N ATOM 1365 CZ ARG A 92 -2.435 12.327 2.559 1.00 0.00 C ATOM 1366 NH1 ARG A 92 -2.302 12.558 1.245 1.00 0.00 N ATOM 1367 NH2 ARG A 92 -3.511 12.784 3.214 1.00 0.00 N ATOM 0 H ARG A 92 1.831 6.690 3.204 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.739 8.080 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.371 9.213 2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.748 8.313 1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -0.700 10.038 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -1.570 9.429 2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.481 10.883 3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.161 11.831 1.908 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.624 11.481 4.215 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.483 12.210 0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.020 13.082 0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.612 12.608 4.214 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.229 13.308 2.713 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.778 6.030 2.692 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.515 4.970 2.026 1.00 0.00 C ATOM 1383 C VAL A 93 -3.663 5.581 1.221 1.00 0.00 C ATOM 1384 O VAL A 93 -4.407 6.418 1.731 1.00 0.00 O ATOM 1385 CB VAL A 93 -2.987 3.937 3.051 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.422 2.641 2.363 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -1.902 3.665 4.095 1.00 0.00 C ATOM 0 H VAL A 93 -2.173 6.329 3.584 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.871 4.440 1.324 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.854 4.350 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.753 1.924 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.242 2.851 1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.582 2.224 1.808 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.263 2.927 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.009 3.283 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.660 4.590 4.618 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.773 5.138 -0.023 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.819 5.631 -0.903 1.00 0.00 C ATOM 1399 C GLU A 94 -5.043 4.655 -2.059 1.00 0.00 C ATOM 1400 O GLU A 94 -4.125 3.944 -2.464 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.482 7.030 -1.425 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.155 7.027 -2.187 1.00 0.00 C ATOM 1403 CD GLU A 94 -2.438 8.371 -2.045 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -2.932 9.344 -2.654 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -1.413 8.394 -1.330 1.00 0.00 O ATOM 0 H GLU A 94 -3.155 4.443 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.744 5.705 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.280 7.380 -2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.425 7.729 -0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.516 6.228 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.337 6.818 -3.241 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.271 4.651 -2.559 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.628 3.773 -3.660 1.00 0.00 C ATOM 1414 C PHE A 95 -5.961 4.226 -4.960 1.00 0.00 C ATOM 1415 O PHE A 95 -5.706 5.414 -5.151 1.00 0.00 O ATOM 1416 CB PHE A 95 -8.147 3.857 -3.824 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.926 2.925 -2.894 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.544 1.626 -2.757 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.999 3.394 -2.203 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.267 0.761 -1.893 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.722 2.529 -1.340 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.340 1.231 -1.203 1.00 0.00 C ATOM 0 H PHE A 95 -7.031 5.242 -2.221 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.297 2.756 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.465 4.884 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.404 3.621 -4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.691 1.253 -3.305 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.301 4.425 -2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.964 -0.270 -1.784 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.575 2.902 -0.792 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.889 0.573 -0.546 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.689 3.228 -5.844 1.00 0.00 N ATOM 1433 CA PRO A 96 -5.057 3.512 -7.121 1.00 0.00 C ATOM 1434 C PRO A 96 -6.049 4.152 -8.095 1.00 0.00 C ATOM 1435 O PRO A 96 -6.432 3.538 -9.089 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.530 2.171 -7.606 1.00 0.00 C ATOM 1437 CG PRO A 96 -5.287 1.116 -6.816 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.977 1.810 -5.652 1.00 0.00 C ATOM 0 HA PRO A 96 -4.247 4.237 -7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.695 2.050 -8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.456 2.089 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.019 0.616 -7.451 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.604 0.349 -6.452 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.050 1.619 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.595 1.454 -4.695 1.00 0.00 H new ATOM 1446 N ARG A 97 -6.436 5.378 -7.774 1.00 0.00 N ATOM 1447 CA ARG A 97 -7.376 6.108 -8.608 1.00 0.00 C ATOM 1448 C ARG A 97 -8.699 5.347 -8.707 1.00 0.00 C ATOM 1449 O ARG A 97 -8.899 4.559 -9.630 1.00 0.00 O ATOM 1450 CB ARG A 97 -6.813 6.323 -10.014 1.00 0.00 C ATOM 1451 CG ARG A 97 -6.833 7.805 -10.392 1.00 0.00 C ATOM 1452 CD ARG A 97 -6.684 7.988 -11.904 1.00 0.00 C ATOM 1453 NE ARG A 97 -7.961 7.666 -12.580 1.00 0.00 N ATOM 1454 CZ ARG A 97 -8.145 7.726 -13.906 1.00 0.00 C ATOM 1455 NH1 ARG A 97 -7.135 8.096 -14.706 1.00 0.00 N ATOM 1456 NH2 ARG A 97 -9.337 7.416 -14.432 1.00 0.00 N ATOM 0 H ARG A 97 -6.116 5.884 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.545 7.080 -8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.792 5.946 -10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.398 5.752 -10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.767 8.256 -10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.025 8.326 -9.878 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.393 9.014 -12.128 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.891 7.342 -12.281 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.750 7.381 -12.000 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.227 8.332 -14.305 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.274 8.142 -15.715 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -10.105 7.134 -13.823 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.477 7.462 -15.441 1.00 0.00 H new ATOM 1470 N SER A 98 -9.569 5.609 -7.742 1.00 0.00 N ATOM 1471 CA SER A 98 -10.868 4.959 -7.709 1.00 0.00 C ATOM 1472 C SER A 98 -11.641 5.268 -8.993 1.00 0.00 C ATOM 1473 O SER A 98 -11.962 4.364 -9.762 1.00 0.00 O ATOM 1474 CB SER A 98 -11.674 5.400 -6.485 1.00 0.00 C ATOM 1475 OG SER A 98 -11.965 4.308 -5.616 1.00 0.00 O ATOM 0 H SER A 98 -9.399 6.262 -6.977 1.00 0.00 H new ATOM 0 HA SER A 98 -10.710 3.883 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.116 6.160 -5.938 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.606 5.862 -6.812 1.00 0.00 H new ATOM 0 HG SER A 98 -12.479 4.630 -4.846 1.00 0.00 H new ATOM 1481 N GLY A 99 -11.918 6.550 -9.185 1.00 0.00 N ATOM 1482 CA GLY A 99 -12.648 6.990 -10.362 1.00 0.00 C ATOM 1483 C GLY A 99 -14.123 7.229 -10.035 1.00 0.00 C ATOM 1484 O GLY A 99 -14.811 6.328 -9.557 1.00 0.00 O ATOM 0 H GLY A 99 -11.650 7.298 -8.545 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.204 7.908 -10.748 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.563 6.240 -11.148 1.00 0.00 H new ATOM 1488 N ARG A 100 -14.566 8.448 -10.306 1.00 0.00 N ATOM 1489 CA ARG A 100 -15.948 8.817 -10.047 1.00 0.00 C ATOM 1490 C ARG A 100 -16.830 8.442 -11.240 1.00 0.00 C ATOM 1491 O ARG A 100 -16.676 8.995 -12.328 1.00 0.00 O ATOM 1492 CB ARG A 100 -16.076 10.317 -9.778 1.00 0.00 C ATOM 1493 CG ARG A 100 -16.225 10.595 -8.281 1.00 0.00 C ATOM 1494 CD ARG A 100 -15.455 11.855 -7.878 1.00 0.00 C ATOM 1495 NE ARG A 100 -14.518 11.545 -6.775 1.00 0.00 N ATOM 1496 CZ ARG A 100 -13.698 12.442 -6.212 1.00 0.00 C ATOM 1497 NH1 ARG A 100 -13.694 13.710 -6.643 1.00 0.00 N ATOM 1498 NH2 ARG A 100 -12.882 12.071 -5.216 1.00 0.00 N ATOM 0 H ARG A 100 -13.993 9.193 -10.702 1.00 0.00 H new ATOM 0 HA ARG A 100 -16.277 8.272 -9.162 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -15.197 10.835 -10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -16.939 10.714 -10.313 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -17.280 10.714 -8.033 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -15.858 9.742 -7.711 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -14.905 12.245 -8.735 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -16.152 12.633 -7.566 1.00 0.00 H new ATOM 0 HE ARG A 100 -14.495 10.588 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -14.316 13.993 -7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -13.069 14.393 -6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.885 11.106 -4.887 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -12.257 12.754 -4.787 1.00 0.00 H new ATOM 1512 N GLY A 101 -17.734 7.505 -10.995 1.00 0.00 N ATOM 1513 CA GLY A 101 -18.641 7.050 -12.035 1.00 0.00 C ATOM 1514 C GLY A 101 -20.072 7.512 -11.755 1.00 0.00 C ATOM 1515 O GLY A 101 -20.344 8.105 -10.712 1.00 0.00 O ATOM 0 H GLY A 101 -17.858 7.048 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -18.314 7.434 -13.001 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -18.612 5.962 -12.098 1.00 0.00 H new ATOM 1519 N THR A 102 -20.950 7.223 -12.705 1.00 0.00 N ATOM 1520 CA THR A 102 -22.347 7.602 -12.574 1.00 0.00 C ATOM 1521 C THR A 102 -23.254 6.463 -13.042 1.00 0.00 C ATOM 1522 O THR A 102 -23.120 5.979 -14.165 1.00 0.00 O ATOM 1523 CB THR A 102 -22.558 8.905 -13.347 1.00 0.00 C ATOM 1524 OG1 THR A 102 -23.645 9.535 -12.676 1.00 0.00 O ATOM 1525 CG2 THR A 102 -23.084 8.665 -14.764 1.00 0.00 C ATOM 0 H THR A 102 -20.721 6.731 -13.569 1.00 0.00 H new ATOM 0 HA THR A 102 -22.613 7.780 -11.532 1.00 0.00 H new ATOM 0 HB THR A 102 -21.618 9.454 -13.396 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.848 10.389 -13.112 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.217 9.621 -15.270 1.00 0.00 H new ATOM 0 HG22 THR A 102 -22.370 8.057 -15.319 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.041 8.145 -14.714 1.00 0.00 H new ATOM 1533 N GLY A 103 -24.158 6.067 -12.158 1.00 0.00 N ATOM 1534 CA GLY A 103 -25.088 4.994 -12.467 1.00 0.00 C ATOM 1535 C GLY A 103 -25.899 4.599 -11.231 1.00 0.00 C ATOM 1536 O GLY A 103 -25.349 4.075 -10.264 1.00 0.00 O ATOM 0 H GLY A 103 -24.266 6.470 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -25.762 5.310 -13.263 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -24.540 4.128 -12.839 1.00 0.00 H new ATOM 1540 N SER A 104 -27.195 4.865 -11.304 1.00 0.00 N ATOM 1541 CA SER A 104 -28.088 4.544 -10.203 1.00 0.00 C ATOM 1542 C SER A 104 -29.197 3.607 -10.686 1.00 0.00 C ATOM 1543 O SER A 104 -29.368 3.408 -11.888 1.00 0.00 O ATOM 1544 CB SER A 104 -28.691 5.812 -9.595 1.00 0.00 C ATOM 1545 OG SER A 104 -28.529 5.855 -8.180 1.00 0.00 O ATOM 0 H SER A 104 -27.648 5.299 -12.108 1.00 0.00 H new ATOM 0 HA SER A 104 -27.509 4.042 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 104 -28.219 6.688 -10.041 1.00 0.00 H new ATOM 0 HB3 SER A 104 -29.752 5.862 -9.840 1.00 0.00 H new ATOM 0 HG SER A 104 -28.925 6.680 -7.830 1.00 0.00 H new ATOM 1551 N GLY A 105 -29.923 3.056 -9.724 1.00 0.00 N ATOM 1552 CA GLY A 105 -31.011 2.145 -10.035 1.00 0.00 C ATOM 1553 C GLY A 105 -31.450 1.370 -8.791 1.00 0.00 C ATOM 1554 O GLY A 105 -31.159 0.182 -8.660 1.00 0.00 O ATOM 0 H GLY A 105 -29.779 3.223 -8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -31.856 2.705 -10.436 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -30.695 1.447 -10.810 1.00 0.00 H new ATOM 1558 N PRO A 106 -32.163 2.092 -7.886 1.00 0.00 N ATOM 1559 CA PRO A 106 -32.645 1.486 -6.657 1.00 0.00 C ATOM 1560 C PRO A 106 -33.846 0.577 -6.929 1.00 0.00 C ATOM 1561 O PRO A 106 -33.840 -0.594 -6.553 1.00 0.00 O ATOM 1562 CB PRO A 106 -32.980 2.655 -5.746 1.00 0.00 C ATOM 1563 CG PRO A 106 -33.113 3.866 -6.654 1.00 0.00 C ATOM 1564 CD PRO A 106 -32.527 3.501 -8.008 1.00 0.00 C ATOM 0 HA PRO A 106 -31.905 0.835 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -33.906 2.472 -5.201 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -32.197 2.808 -5.003 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -34.159 4.153 -6.756 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -32.588 4.721 -6.229 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -33.251 3.655 -8.808 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -31.658 4.116 -8.242 1.00 0.00 H new ATOM 1572 N SER A 107 -34.847 1.152 -7.580 1.00 0.00 N ATOM 1573 CA SER A 107 -36.052 0.408 -7.907 1.00 0.00 C ATOM 1574 C SER A 107 -36.707 -0.114 -6.627 1.00 0.00 C ATOM 1575 O SER A 107 -36.107 -0.068 -5.554 1.00 0.00 O ATOM 1576 CB SER A 107 -35.744 -0.751 -8.856 1.00 0.00 C ATOM 1577 OG SER A 107 -36.079 -0.439 -10.206 1.00 0.00 O ATOM 0 H SER A 107 -34.848 2.124 -7.890 1.00 0.00 H new ATOM 0 HA SER A 107 -36.743 1.082 -8.413 1.00 0.00 H new ATOM 0 HB2 SER A 107 -34.684 -0.999 -8.793 1.00 0.00 H new ATOM 0 HB3 SER A 107 -36.298 -1.635 -8.540 1.00 0.00 H new ATOM 0 HG SER A 107 -35.866 -1.203 -10.781 1.00 0.00 H new ATOM 1583 N SER A 108 -37.931 -0.598 -6.782 1.00 0.00 N ATOM 1584 CA SER A 108 -38.674 -1.129 -5.652 1.00 0.00 C ATOM 1585 C SER A 108 -39.382 -2.425 -6.053 1.00 0.00 C ATOM 1586 O SER A 108 -39.146 -3.475 -5.457 1.00 0.00 O ATOM 1587 CB SER A 108 -39.690 -0.109 -5.133 1.00 0.00 C ATOM 1588 OG SER A 108 -40.563 -0.673 -4.158 1.00 0.00 O ATOM 0 H SER A 108 -38.426 -0.633 -7.673 1.00 0.00 H new ATOM 0 HA SER A 108 -37.969 -1.341 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 108 -39.162 0.740 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 108 -40.278 0.274 -5.967 1.00 0.00 H new ATOM 0 HG SER A 108 -41.195 0.010 -3.851 1.00 0.00 H new ATOM 1594 N GLY A 109 -40.234 -2.309 -7.060 1.00 0.00 N ATOM 1595 CA GLY A 109 -40.977 -3.459 -7.548 1.00 0.00 C ATOM 1596 C GLY A 109 -42.464 -3.129 -7.694 1.00 0.00 C ATOM 1597 O GLY A 109 -43.320 -3.911 -7.283 1.00 0.00 O ATOM 0 H GLY A 109 -40.427 -1.436 -7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -40.575 -3.775 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -40.852 -4.296 -6.861 1.00 0.00 H new TER 1601 GLY A 109