USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 778 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 54 SER OG : rot 33:sc= 0.122 USER MOD Set 1.2: A 88 GLN : amide:sc= -1.7 K(o=-1.6,f=-2.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= 0 (180deg=-0.122) USER MOD Single : A 4 HIS : no HD1:sc= -0.094 X(o=-0.094,f=-0.012) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -132:sc= 0 (180deg=-0.313) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 17 THR OG1 : rot -49:sc= 0.86 USER MOD Single : A 20 ASN : amide:sc= -0.0747 X(o=-0.075,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= -0.592 (180deg=-0.608) USER MOD Single : A 50 ASN : amide:sc= -0.181 K(o=-0.18,f=-5.3!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0581 K(o=-0.058,f=-0.66) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -160:sc= -0.152 (180deg=-0.706) USER MOD Single : A 64 SER OG : rot 77:sc= 1.16 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -1.54 F(o=-5.5!,f=-1.5) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 83 MET CE :methyl -164:sc= 0 (180deg=-0.598) USER MOD Single : A 96 THR OG1 : rot 78:sc= 0.0351 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.725 24.655 14.781 1.00 0.00 N ATOM 2 CA MET A 1 -6.493 24.766 13.515 1.00 0.00 C ATOM 3 C MET A 1 -6.251 23.553 12.618 1.00 0.00 C ATOM 4 O MET A 1 -5.477 23.623 11.663 1.00 0.00 O ATOM 5 CB MET A 1 -6.104 26.047 12.771 1.00 0.00 C ATOM 6 CG MET A 1 -6.682 27.310 13.390 1.00 0.00 C ATOM 7 SD MET A 1 -8.485 27.343 13.338 1.00 0.00 S ATOM 8 CE MET A 1 -8.816 28.977 13.994 1.00 0.00 C ATOM 0 H1 MET A 1 -6.202 25.202 15.526 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.669 23.657 15.067 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.765 25.029 14.639 1.00 0.00 H new ATOM 0 HA MET A 1 -7.553 24.803 13.766 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.017 26.128 12.748 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.440 25.973 11.737 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.350 27.388 14.425 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.291 28.181 12.864 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.892 29.146 14.024 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.408 29.054 15.002 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.349 29.727 13.356 1.00 0.00 H new ATOM 20 N PRO A 2 -6.913 22.419 12.916 1.00 0.00 N ATOM 21 CA PRO A 2 -6.766 21.192 12.127 1.00 0.00 C ATOM 22 C PRO A 2 -7.421 21.306 10.755 1.00 0.00 C ATOM 23 O PRO A 2 -7.351 20.381 9.943 1.00 0.00 O ATOM 24 CB PRO A 2 -7.481 20.137 12.976 1.00 0.00 C ATOM 25 CG PRO A 2 -8.479 20.904 13.770 1.00 0.00 C ATOM 26 CD PRO A 2 -7.849 22.243 14.045 1.00 0.00 C ATOM 0 HA PRO A 2 -5.721 20.958 11.925 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.965 19.387 12.351 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.781 19.609 13.624 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.412 21.018 13.219 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.719 20.387 14.699 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.594 23.038 14.077 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.329 22.254 15.003 1.00 0.00 H new ATOM 34 N PHE A 3 -8.059 22.445 10.502 1.00 0.00 N ATOM 35 CA PHE A 3 -8.727 22.683 9.227 1.00 0.00 C ATOM 36 C PHE A 3 -7.716 22.742 8.086 1.00 0.00 C ATOM 37 O PHE A 3 -8.061 22.510 6.926 1.00 0.00 O ATOM 38 CB PHE A 3 -9.527 23.986 9.282 1.00 0.00 C ATOM 39 CG PHE A 3 -10.542 24.022 10.390 1.00 0.00 C ATOM 40 CD1 PHE A 3 -11.829 23.550 10.185 1.00 0.00 C ATOM 41 CD2 PHE A 3 -10.209 24.529 11.636 1.00 0.00 C ATOM 42 CE1 PHE A 3 -12.764 23.582 11.202 1.00 0.00 C ATOM 43 CE2 PHE A 3 -11.140 24.563 12.657 1.00 0.00 C ATOM 44 CZ PHE A 3 -12.419 24.089 12.439 1.00 0.00 C ATOM 0 H PHE A 3 -8.127 23.218 11.164 1.00 0.00 H new ATOM 0 HA PHE A 3 -9.409 21.853 9.042 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.837 24.821 9.405 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -10.036 24.131 8.329 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.104 23.153 9.219 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.211 24.902 11.811 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -13.763 23.211 11.029 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -10.868 24.960 13.624 1.00 0.00 H new ATOM 0 HZ PHE A 3 -13.148 24.115 13.235 1.00 0.00 H new ATOM 54 N HIS A 4 -6.468 23.052 8.423 1.00 0.00 N ATOM 55 CA HIS A 4 -5.404 23.139 7.429 1.00 0.00 C ATOM 56 C HIS A 4 -4.867 21.749 7.082 1.00 0.00 C ATOM 57 O HIS A 4 -4.261 21.088 7.925 1.00 0.00 O ATOM 58 CB HIS A 4 -4.265 24.018 7.950 1.00 0.00 C ATOM 59 CG HIS A 4 -4.644 25.458 8.111 1.00 0.00 C ATOM 60 ND1 HIS A 4 -4.116 26.467 7.330 1.00 0.00 N ATOM 61 CD2 HIS A 4 -5.500 26.060 8.971 1.00 0.00 C ATOM 62 CE1 HIS A 4 -4.631 27.625 7.704 1.00 0.00 C ATOM 63 NE2 HIS A 4 -5.473 27.406 8.696 1.00 0.00 N ATOM 0 H HIS A 4 -6.168 23.247 9.378 1.00 0.00 H new ATOM 0 HA HIS A 4 -5.820 23.586 6.526 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.928 23.630 8.911 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.420 23.948 7.265 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.093 25.573 9.731 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.402 28.587 7.271 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.016 28.121 9.181 1.00 0.00 H new ATOM 72 N PRO A 5 -5.083 21.281 5.835 1.00 0.00 N ATOM 73 CA PRO A 5 -4.612 19.962 5.399 1.00 0.00 C ATOM 74 C PRO A 5 -3.105 19.930 5.170 1.00 0.00 C ATOM 75 O PRO A 5 -2.597 20.542 4.229 1.00 0.00 O ATOM 76 CB PRO A 5 -5.356 19.742 4.082 1.00 0.00 C ATOM 77 CG PRO A 5 -5.588 21.112 3.552 1.00 0.00 C ATOM 78 CD PRO A 5 -5.800 21.992 4.755 1.00 0.00 C ATOM 0 HA PRO A 5 -4.801 19.193 6.148 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -4.766 19.143 3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.296 19.213 4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.735 21.453 2.965 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.457 21.134 2.894 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.397 22.992 4.596 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.859 22.108 4.985 1.00 0.00 H new ATOM 86 N VAL A 6 -2.393 19.213 6.036 1.00 0.00 N ATOM 87 CA VAL A 6 -0.942 19.101 5.924 1.00 0.00 C ATOM 88 C VAL A 6 -0.538 17.745 5.358 1.00 0.00 C ATOM 89 O VAL A 6 0.649 17.438 5.244 1.00 0.00 O ATOM 90 CB VAL A 6 -0.255 19.305 7.288 1.00 0.00 C ATOM 91 CG1 VAL A 6 -0.567 20.686 7.844 1.00 0.00 C ATOM 92 CG2 VAL A 6 -0.674 18.220 8.268 1.00 0.00 C ATOM 0 H VAL A 6 -2.797 18.702 6.821 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.615 19.886 5.243 1.00 0.00 H new ATOM 0 HB VAL A 6 0.823 19.233 7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.073 20.810 8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.208 21.447 7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.644 20.792 7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.178 18.382 9.225 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.754 18.255 8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.391 17.244 7.873 1.00 0.00 H new ATOM 102 N THR A 7 -1.533 16.936 5.006 1.00 0.00 N ATOM 103 CA THR A 7 -1.282 15.612 4.450 1.00 0.00 C ATOM 104 C THR A 7 -1.359 15.636 2.926 1.00 0.00 C ATOM 105 O THR A 7 -0.387 15.318 2.242 1.00 0.00 O ATOM 106 CB THR A 7 -2.290 14.576 4.989 1.00 0.00 C ATOM 107 OG1 THR A 7 -2.274 14.577 6.421 1.00 0.00 O ATOM 108 CG2 THR A 7 -1.962 13.182 4.476 1.00 0.00 C ATOM 0 H THR A 7 -2.520 17.175 5.096 1.00 0.00 H new ATOM 0 HA THR A 7 -0.277 15.322 4.757 1.00 0.00 H new ATOM 0 HB THR A 7 -3.284 14.852 4.635 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.918 13.918 6.756 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.687 12.469 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.003 13.176 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.961 12.900 4.803 1.00 0.00 H new ATOM 116 N ALA A 8 -2.521 16.016 2.405 1.00 0.00 N ATOM 117 CA ALA A 8 -2.726 16.086 0.963 1.00 0.00 C ATOM 118 C ALA A 8 -2.228 17.413 0.403 1.00 0.00 C ATOM 119 O ALA A 8 -2.820 18.464 0.649 1.00 0.00 O ATOM 120 CB ALA A 8 -4.198 15.890 0.631 1.00 0.00 C ATOM 0 H ALA A 8 -3.335 16.280 2.960 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.150 15.286 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.338 15.944 -0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.525 14.914 0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.787 16.671 1.113 1.00 0.00 H new ATOM 126 N ALA A 9 -1.135 17.356 -0.352 1.00 0.00 N ATOM 127 CA ALA A 9 -0.556 18.553 -0.948 1.00 0.00 C ATOM 128 C ALA A 9 -1.193 18.856 -2.299 1.00 0.00 C ATOM 129 O ALA A 9 -1.937 19.826 -2.439 1.00 0.00 O ATOM 130 CB ALA A 9 0.951 18.395 -1.093 1.00 0.00 C ATOM 0 H ALA A 9 -0.633 16.494 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.758 19.394 -0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.370 19.297 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.396 18.236 -0.111 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.167 17.539 -1.732 1.00 0.00 H new ATOM 136 N LEU A 10 -0.898 18.018 -3.292 1.00 0.00 N ATOM 137 CA LEU A 10 -1.443 18.195 -4.635 1.00 0.00 C ATOM 138 C LEU A 10 -1.215 19.623 -5.127 1.00 0.00 C ATOM 139 O LEU A 10 -2.059 20.196 -5.816 1.00 0.00 O ATOM 140 CB LEU A 10 -2.942 17.869 -4.658 1.00 0.00 C ATOM 141 CG LEU A 10 -3.307 16.389 -4.465 1.00 0.00 C ATOM 142 CD1 LEU A 10 -2.573 15.513 -5.469 1.00 0.00 C ATOM 143 CD2 LEU A 10 -3.006 15.941 -3.042 1.00 0.00 C ATOM 0 H LEU A 10 -0.284 17.210 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.923 17.507 -5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.433 18.450 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.353 18.204 -5.610 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.377 16.281 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.848 14.470 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.846 15.812 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.497 15.629 -5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.272 14.890 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.943 16.071 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.587 16.541 -2.341 1.00 0.00 H new ATOM 155 N MET A 11 -0.069 20.190 -4.764 1.00 0.00 N ATOM 156 CA MET A 11 0.272 21.551 -5.162 1.00 0.00 C ATOM 157 C MET A 11 0.728 21.598 -6.618 1.00 0.00 C ATOM 158 O MET A 11 0.620 20.610 -7.345 1.00 0.00 O ATOM 159 CB MET A 11 1.371 22.107 -4.254 1.00 0.00 C ATOM 160 CG MET A 11 2.639 21.271 -4.250 1.00 0.00 C ATOM 161 SD MET A 11 3.941 21.988 -3.229 1.00 0.00 S ATOM 162 CE MET A 11 5.240 20.773 -3.434 1.00 0.00 C ATOM 0 H MET A 11 0.640 19.728 -4.194 1.00 0.00 H new ATOM 0 HA MET A 11 -0.622 22.166 -5.062 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.615 23.120 -4.572 1.00 0.00 H new ATOM 0 HB3 MET A 11 0.989 22.176 -3.236 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.408 20.270 -3.887 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.002 21.164 -5.272 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.650 20.511 -2.459 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.832 19.880 -3.908 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.030 21.187 -4.060 1.00 0.00 H new ATOM 172 N TYR A 12 1.234 22.755 -7.036 1.00 0.00 N ATOM 173 CA TYR A 12 1.705 22.937 -8.405 1.00 0.00 C ATOM 174 C TYR A 12 2.813 21.943 -8.740 1.00 0.00 C ATOM 175 O TYR A 12 2.736 21.226 -9.738 1.00 0.00 O ATOM 176 CB TYR A 12 2.212 24.368 -8.605 1.00 0.00 C ATOM 177 CG TYR A 12 1.144 25.423 -8.422 1.00 0.00 C ATOM 178 CD1 TYR A 12 0.770 25.848 -7.153 1.00 0.00 C ATOM 179 CD2 TYR A 12 0.512 25.996 -9.518 1.00 0.00 C ATOM 180 CE1 TYR A 12 -0.205 26.814 -6.982 1.00 0.00 C ATOM 181 CE2 TYR A 12 -0.463 26.962 -9.355 1.00 0.00 C ATOM 182 CZ TYR A 12 -0.818 27.367 -8.086 1.00 0.00 C ATOM 183 OH TYR A 12 -1.788 28.328 -7.919 1.00 0.00 O ATOM 0 H TYR A 12 1.328 23.581 -6.445 1.00 0.00 H new ATOM 0 HA TYR A 12 0.866 22.756 -9.077 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.022 24.558 -7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.632 24.459 -9.607 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.248 25.417 -6.286 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.787 25.682 -10.514 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.485 27.133 -5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.945 27.398 -10.218 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.118 28.615 -8.796 1.00 0.00 H new ATOM 193 N ARG A 13 3.842 21.907 -7.900 1.00 0.00 N ATOM 194 CA ARG A 13 4.968 21.004 -8.106 1.00 0.00 C ATOM 195 C ARG A 13 4.652 19.606 -7.584 1.00 0.00 C ATOM 196 O ARG A 13 5.230 19.154 -6.595 1.00 0.00 O ATOM 197 CB ARG A 13 6.217 21.554 -7.414 1.00 0.00 C ATOM 198 CG ARG A 13 6.642 22.919 -7.932 1.00 0.00 C ATOM 199 CD ARG A 13 7.772 23.504 -7.102 1.00 0.00 C ATOM 200 NE ARG A 13 8.983 22.690 -7.169 1.00 0.00 N ATOM 201 CZ ARG A 13 10.116 23.003 -6.547 1.00 0.00 C ATOM 202 NH1 ARG A 13 10.191 24.104 -5.812 1.00 0.00 N ATOM 203 NH2 ARG A 13 11.176 22.213 -6.660 1.00 0.00 N ATOM 0 H ARG A 13 3.919 22.494 -7.069 1.00 0.00 H new ATOM 0 HA ARG A 13 5.155 20.933 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.029 21.622 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.038 20.850 -7.550 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.960 22.832 -8.971 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.789 23.597 -7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.994 24.512 -7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.451 23.591 -6.064 1.00 0.00 H new ATOM 0 HE ARG A 13 8.958 21.834 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.378 24.714 -5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.061 24.341 -5.336 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.122 21.365 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.045 22.454 -6.183 1.00 0.00 H new ATOM 217 N GLY A 14 3.728 18.925 -8.258 1.00 0.00 N ATOM 218 CA GLY A 14 3.349 17.583 -7.854 1.00 0.00 C ATOM 219 C GLY A 14 3.379 16.601 -9.008 1.00 0.00 C ATOM 220 O GLY A 14 3.560 15.400 -8.805 1.00 0.00 O ATOM 0 H GLY A 14 3.235 19.280 -9.077 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.023 17.239 -7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.347 17.605 -7.425 1.00 0.00 H new ATOM 224 N ILE A 15 3.201 17.113 -10.222 1.00 0.00 N ATOM 225 CA ILE A 15 3.212 16.275 -11.414 1.00 0.00 C ATOM 226 C ILE A 15 4.606 15.711 -11.671 1.00 0.00 C ATOM 227 O ILE A 15 5.608 16.414 -11.537 1.00 0.00 O ATOM 228 CB ILE A 15 2.740 17.061 -12.658 1.00 0.00 C ATOM 229 CG1 ILE A 15 2.743 16.164 -13.900 1.00 0.00 C ATOM 230 CG2 ILE A 15 3.619 18.284 -12.881 1.00 0.00 C ATOM 231 CD1 ILE A 15 1.753 15.021 -13.827 1.00 0.00 C ATOM 0 H ILE A 15 3.047 18.105 -10.405 1.00 0.00 H new ATOM 0 HA ILE A 15 2.520 15.452 -11.235 1.00 0.00 H new ATOM 0 HB ILE A 15 1.718 17.397 -12.482 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.519 16.772 -14.777 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.744 15.757 -14.041 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.272 18.826 -13.761 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.564 18.936 -12.009 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.651 17.968 -13.033 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.812 14.430 -14.741 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.989 14.390 -12.970 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.744 15.420 -13.717 1.00 0.00 H new ATOM 243 N TYR A 16 4.659 14.433 -12.035 1.00 0.00 N ATOM 244 CA TYR A 16 5.925 13.765 -12.311 1.00 0.00 C ATOM 245 C TYR A 16 6.541 14.285 -13.606 1.00 0.00 C ATOM 246 O TYR A 16 7.759 14.438 -13.701 1.00 0.00 O ATOM 247 CB TYR A 16 5.715 12.253 -12.408 1.00 0.00 C ATOM 248 CG TYR A 16 4.983 11.663 -11.224 1.00 0.00 C ATOM 249 CD1 TYR A 16 5.656 11.361 -10.046 1.00 0.00 C ATOM 250 CD2 TYR A 16 3.618 11.409 -11.282 1.00 0.00 C ATOM 251 CE1 TYR A 16 4.990 10.822 -8.961 1.00 0.00 C ATOM 252 CE2 TYR A 16 2.945 10.871 -10.202 1.00 0.00 C ATOM 253 CZ TYR A 16 3.635 10.579 -9.045 1.00 0.00 C ATOM 254 OH TYR A 16 2.969 10.044 -7.967 1.00 0.00 O ATOM 0 H TYR A 16 3.837 13.839 -12.146 1.00 0.00 H new ATOM 0 HA TYR A 16 6.609 13.980 -11.490 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.156 12.030 -13.317 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.685 11.766 -12.503 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.717 11.551 -9.977 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.074 11.636 -12.187 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.528 10.593 -8.053 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.884 10.680 -10.264 1.00 0.00 H new ATOM 0 HH TYR A 16 2.021 9.936 -8.189 1.00 0.00 H new ATOM 264 N THR A 17 5.685 14.556 -14.592 1.00 0.00 N ATOM 265 CA THR A 17 6.118 15.068 -15.895 1.00 0.00 C ATOM 266 C THR A 17 7.459 14.471 -16.329 1.00 0.00 C ATOM 267 O THR A 17 8.359 15.186 -16.772 1.00 0.00 O ATOM 268 CB THR A 17 6.209 16.612 -15.899 1.00 0.00 C ATOM 269 OG1 THR A 17 6.593 17.077 -17.199 1.00 0.00 O ATOM 270 CG2 THR A 17 7.205 17.117 -14.863 1.00 0.00 C ATOM 0 H THR A 17 4.676 14.428 -14.512 1.00 0.00 H new ATOM 0 HA THR A 17 5.357 14.760 -16.612 1.00 0.00 H new ATOM 0 HB THR A 17 5.224 17.003 -15.643 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.377 16.576 -17.507 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.242 18.206 -14.895 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.893 16.793 -13.870 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.194 16.714 -15.082 1.00 0.00 H new ATOM 278 N VAL A 18 7.582 13.153 -16.200 1.00 0.00 N ATOM 279 CA VAL A 18 8.807 12.458 -16.580 1.00 0.00 C ATOM 280 C VAL A 18 8.723 11.957 -18.025 1.00 0.00 C ATOM 281 O VAL A 18 7.701 11.409 -18.439 1.00 0.00 O ATOM 282 CB VAL A 18 9.088 11.267 -15.640 1.00 0.00 C ATOM 283 CG1 VAL A 18 10.377 10.559 -16.029 1.00 0.00 C ATOM 284 CG2 VAL A 18 9.145 11.733 -14.193 1.00 0.00 C ATOM 0 H VAL A 18 6.848 12.545 -15.835 1.00 0.00 H new ATOM 0 HA VAL A 18 9.625 13.173 -16.495 1.00 0.00 H new ATOM 0 HB VAL A 18 8.270 10.554 -15.740 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.552 9.724 -15.351 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.294 10.186 -17.050 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.210 11.259 -15.965 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.344 10.880 -13.544 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.941 12.469 -14.079 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.191 12.184 -13.918 1.00 0.00 H new ATOM 294 N PRO A 19 9.800 12.145 -18.816 1.00 0.00 N ATOM 295 CA PRO A 19 9.849 11.720 -20.217 1.00 0.00 C ATOM 296 C PRO A 19 10.177 10.241 -20.377 1.00 0.00 C ATOM 297 O PRO A 19 9.408 9.483 -20.967 1.00 0.00 O ATOM 298 CB PRO A 19 10.986 12.565 -20.816 1.00 0.00 C ATOM 299 CG PRO A 19 11.506 13.425 -19.705 1.00 0.00 C ATOM 300 CD PRO A 19 11.053 12.791 -18.422 1.00 0.00 C ATOM 0 HA PRO A 19 8.882 11.858 -20.702 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.775 11.927 -21.215 1.00 0.00 H new ATOM 0 HB3 PRO A 19 10.622 13.176 -21.642 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.593 13.490 -19.742 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.123 14.442 -19.791 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.780 12.072 -18.046 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.899 13.530 -17.636 1.00 0.00 H new ATOM 308 N ASN A 20 11.332 9.846 -19.852 1.00 0.00 N ATOM 309 CA ASN A 20 11.794 8.464 -19.935 1.00 0.00 C ATOM 310 C ASN A 20 10.714 7.478 -19.489 1.00 0.00 C ATOM 311 O ASN A 20 9.955 6.965 -20.312 1.00 0.00 O ATOM 312 CB ASN A 20 13.051 8.290 -19.084 1.00 0.00 C ATOM 313 CG ASN A 20 14.243 9.029 -19.660 1.00 0.00 C ATOM 314 OD1 ASN A 20 15.000 8.480 -20.462 1.00 0.00 O ATOM 315 ND2 ASN A 20 14.416 10.279 -19.250 1.00 0.00 N ATOM 0 H ASN A 20 11.971 10.470 -19.360 1.00 0.00 H new ATOM 0 HA ASN A 20 12.025 8.247 -20.978 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.856 8.651 -18.074 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.288 7.229 -19.003 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.202 10.827 -19.601 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.763 10.692 -18.584 1.00 0.00 H new ATOM 322 N LEU A 21 10.656 7.213 -18.187 1.00 0.00 N ATOM 323 CA LEU A 21 9.670 6.286 -17.635 1.00 0.00 C ATOM 324 C LEU A 21 9.802 4.896 -18.253 1.00 0.00 C ATOM 325 O LEU A 21 8.859 4.104 -18.225 1.00 0.00 O ATOM 326 CB LEU A 21 8.255 6.816 -17.854 1.00 0.00 C ATOM 327 CG LEU A 21 7.617 7.465 -16.629 1.00 0.00 C ATOM 328 CD1 LEU A 21 7.032 8.816 -16.993 1.00 0.00 C ATOM 329 CD2 LEU A 21 6.548 6.557 -16.042 1.00 0.00 C ATOM 0 H LEU A 21 11.280 7.626 -17.494 1.00 0.00 H new ATOM 0 HA LEU A 21 9.862 6.204 -16.565 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.277 7.545 -18.664 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.621 5.993 -18.183 1.00 0.00 H new ATOM 0 HG LEU A 21 8.388 7.616 -15.874 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.580 9.267 -16.109 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.823 9.466 -17.368 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.272 8.688 -17.764 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.103 7.035 -15.169 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.775 6.375 -16.789 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.998 5.609 -15.747 1.00 0.00 H new ATOM 341 N LEU A 22 10.973 4.601 -18.811 1.00 0.00 N ATOM 342 CA LEU A 22 11.213 3.301 -19.429 1.00 0.00 C ATOM 343 C LEU A 22 12.156 2.463 -18.572 1.00 0.00 C ATOM 344 O LEU A 22 12.153 1.234 -18.645 1.00 0.00 O ATOM 345 CB LEU A 22 11.790 3.471 -20.840 1.00 0.00 C ATOM 346 CG LEU A 22 13.302 3.713 -20.915 1.00 0.00 C ATOM 347 CD1 LEU A 22 13.771 3.703 -22.362 1.00 0.00 C ATOM 348 CD2 LEU A 22 13.671 5.028 -20.247 1.00 0.00 C ATOM 0 H LEU A 22 11.766 5.241 -18.848 1.00 0.00 H new ATOM 0 HA LEU A 22 10.258 2.781 -19.504 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.554 2.578 -21.419 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.282 4.307 -21.322 1.00 0.00 H new ATOM 0 HG LEU A 22 13.804 2.906 -20.381 1.00 0.00 H new ATOM 0 HD11 LEU A 22 14.847 3.876 -22.397 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.544 2.736 -22.811 1.00 0.00 H new ATOM 0 HD13 LEU A 22 13.259 4.490 -22.916 1.00 0.00 H new ATOM 0 HD21 LEU A 22 14.748 5.179 -20.312 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.158 5.848 -20.750 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.371 5.001 -19.199 1.00 0.00 H new ATOM 360 N SER A 23 12.961 3.139 -17.756 1.00 0.00 N ATOM 361 CA SER A 23 13.912 2.462 -16.883 1.00 0.00 C ATOM 362 C SER A 23 13.447 2.511 -15.430 1.00 0.00 C ATOM 363 O SER A 23 13.237 1.474 -14.800 1.00 0.00 O ATOM 364 CB SER A 23 15.295 3.102 -17.009 1.00 0.00 C ATOM 365 OG SER A 23 15.785 3.002 -18.336 1.00 0.00 O ATOM 0 H SER A 23 12.972 4.156 -17.682 1.00 0.00 H new ATOM 0 HA SER A 23 13.972 1.418 -17.192 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.242 4.150 -16.716 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.989 2.614 -16.324 1.00 0.00 H new ATOM 0 HG SER A 23 16.670 3.420 -18.390 1.00 0.00 H new ATOM 371 N GLU A 24 13.287 3.722 -14.906 1.00 0.00 N ATOM 372 CA GLU A 24 12.847 3.908 -13.527 1.00 0.00 C ATOM 373 C GLU A 24 11.331 3.780 -13.417 1.00 0.00 C ATOM 374 O GLU A 24 10.813 3.217 -12.452 1.00 0.00 O ATOM 375 CB GLU A 24 13.296 5.275 -13.007 1.00 0.00 C ATOM 376 CG GLU A 24 12.834 5.571 -11.589 1.00 0.00 C ATOM 377 CD GLU A 24 13.249 6.951 -11.116 1.00 0.00 C ATOM 378 OE1 GLU A 24 12.500 7.917 -11.373 1.00 0.00 O ATOM 379 OE2 GLU A 24 14.323 7.065 -10.490 1.00 0.00 O ATOM 0 H GLU A 24 13.455 4.590 -15.415 1.00 0.00 H new ATOM 0 HA GLU A 24 13.303 3.128 -12.918 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.384 5.328 -13.044 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.916 6.050 -13.673 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.749 5.485 -11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.244 4.821 -10.913 1.00 0.00 H new ATOM 386 N GLN A 25 10.628 4.307 -14.416 1.00 0.00 N ATOM 387 CA GLN A 25 9.170 4.260 -14.446 1.00 0.00 C ATOM 388 C GLN A 25 8.574 4.914 -13.197 1.00 0.00 C ATOM 389 O GLN A 25 8.636 6.133 -13.040 1.00 0.00 O ATOM 390 CB GLN A 25 8.688 2.811 -14.581 1.00 0.00 C ATOM 391 CG GLN A 25 7.203 2.689 -14.887 1.00 0.00 C ATOM 392 CD GLN A 25 6.737 1.246 -14.954 1.00 0.00 C ATOM 393 OE1 GLN A 25 7.624 0.354 -15.379 1.00 0.00 O flip ATOM 394 NE2 GLN A 25 5.589 0.938 -14.631 1.00 0.00 N flip ATOM 0 H GLN A 25 11.048 4.774 -15.220 1.00 0.00 H new ATOM 0 HA GLN A 25 8.827 4.823 -15.314 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.255 2.321 -15.372 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.905 2.277 -13.656 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.634 3.216 -14.121 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.990 3.180 -15.837 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.940 1.656 -14.310 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.288 -0.035 -14.685 1.00 0.00 H new ATOM 403 N ARG A 26 7.998 4.101 -12.317 1.00 0.00 N ATOM 404 CA ARG A 26 7.396 4.604 -11.087 1.00 0.00 C ATOM 405 C ARG A 26 8.332 4.404 -9.895 1.00 0.00 C ATOM 406 O ARG A 26 9.115 3.453 -9.869 1.00 0.00 O ATOM 407 CB ARG A 26 6.069 3.890 -10.823 1.00 0.00 C ATOM 408 CG ARG A 26 5.044 4.077 -11.928 1.00 0.00 C ATOM 409 CD ARG A 26 3.801 3.242 -11.674 1.00 0.00 C ATOM 410 NE ARG A 26 2.778 3.456 -12.695 1.00 0.00 N ATOM 411 CZ ARG A 26 1.673 2.722 -12.798 1.00 0.00 C ATOM 412 NH1 ARG A 26 1.448 1.731 -11.946 1.00 0.00 N ATOM 413 NH2 ARG A 26 0.792 2.978 -13.756 1.00 0.00 N ATOM 0 H ARG A 26 7.935 3.090 -12.433 1.00 0.00 H new ATOM 0 HA ARG A 26 7.217 5.672 -11.211 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.260 2.825 -10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.650 4.256 -9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 26 4.770 5.130 -11.998 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.483 3.797 -12.886 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.072 2.187 -11.649 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.392 3.489 -10.694 1.00 0.00 H new ATOM 0 HE ARG A 26 2.919 4.211 -13.367 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.123 1.529 -11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.600 1.171 -12.028 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.961 3.738 -14.415 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.055 2.415 -13.834 1.00 0.00 H new ATOM 427 N PRO A 27 8.264 5.298 -8.889 1.00 0.00 N ATOM 428 CA PRO A 27 9.101 5.204 -7.695 1.00 0.00 C ATOM 429 C PRO A 27 8.505 4.264 -6.650 1.00 0.00 C ATOM 430 O PRO A 27 8.566 4.532 -5.450 1.00 0.00 O ATOM 431 CB PRO A 27 9.110 6.640 -7.179 1.00 0.00 C ATOM 432 CG PRO A 27 7.774 7.180 -7.564 1.00 0.00 C ATOM 433 CD PRO A 27 7.376 6.478 -8.840 1.00 0.00 C ATOM 0 HA PRO A 27 10.091 4.801 -7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.256 6.674 -6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.917 7.219 -7.628 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.042 6.999 -6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.821 8.259 -7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.326 6.187 -8.825 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.516 7.120 -9.710 1.00 0.00 H new ATOM 441 N VAL A 28 7.927 3.163 -7.122 1.00 0.00 N ATOM 442 CA VAL A 28 7.308 2.178 -6.242 1.00 0.00 C ATOM 443 C VAL A 28 8.283 1.690 -5.176 1.00 0.00 C ATOM 444 O VAL A 28 9.220 0.947 -5.471 1.00 0.00 O ATOM 445 CB VAL A 28 6.795 0.962 -7.033 1.00 0.00 C ATOM 446 CG1 VAL A 28 6.015 0.020 -6.126 1.00 0.00 C ATOM 447 CG2 VAL A 28 5.943 1.409 -8.210 1.00 0.00 C ATOM 0 H VAL A 28 7.875 2.930 -8.114 1.00 0.00 H new ATOM 0 HA VAL A 28 6.468 2.679 -5.761 1.00 0.00 H new ATOM 0 HB VAL A 28 7.656 0.420 -7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.661 -0.833 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.663 -0.331 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.162 0.548 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.590 0.534 -8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.088 1.978 -7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.539 2.035 -8.874 1.00 0.00 H new ATOM 457 N ASP A 29 8.048 2.112 -3.939 1.00 0.00 N ATOM 458 CA ASP A 29 8.893 1.718 -2.818 1.00 0.00 C ATOM 459 C ASP A 29 8.330 2.250 -1.511 1.00 0.00 C ATOM 460 O ASP A 29 8.733 3.310 -1.028 1.00 0.00 O ATOM 461 CB ASP A 29 10.326 2.214 -3.020 1.00 0.00 C ATOM 462 CG ASP A 29 11.269 1.711 -1.944 1.00 0.00 C ATOM 463 OD1 ASP A 29 11.351 2.357 -0.879 1.00 0.00 O ATOM 464 OD2 ASP A 29 11.924 0.670 -2.167 1.00 0.00 O ATOM 0 H ASP A 29 7.276 2.729 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 29 8.908 0.629 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.686 1.888 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.333 3.304 -3.025 1.00 0.00 H new ATOM 469 N ILE A 30 7.389 1.503 -0.946 1.00 0.00 N ATOM 470 CA ILE A 30 6.750 1.889 0.298 1.00 0.00 C ATOM 471 C ILE A 30 7.214 1.003 1.451 1.00 0.00 C ATOM 472 O ILE A 30 7.280 -0.220 1.316 1.00 0.00 O ATOM 473 CB ILE A 30 5.213 1.815 0.175 1.00 0.00 C ATOM 474 CG1 ILE A 30 4.716 2.850 -0.835 1.00 0.00 C ATOM 475 CG2 ILE A 30 4.551 2.030 1.527 1.00 0.00 C ATOM 476 CD1 ILE A 30 5.114 2.559 -2.263 1.00 0.00 C ATOM 0 H ILE A 30 7.053 0.622 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 30 7.039 2.919 0.507 1.00 0.00 H new ATOM 0 HB ILE A 30 4.943 0.820 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.629 2.906 -0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.102 3.830 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.468 1.973 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.885 1.260 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.825 3.011 1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.723 3.339 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.201 2.533 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.706 1.595 -2.565 1.00 0.00 H new ATOM 488 N PRO A 31 7.544 1.614 2.602 1.00 0.00 N ATOM 489 CA PRO A 31 8.005 0.883 3.774 1.00 0.00 C ATOM 490 C PRO A 31 6.854 0.281 4.570 1.00 0.00 C ATOM 491 O PRO A 31 5.755 0.834 4.599 1.00 0.00 O ATOM 492 CB PRO A 31 8.738 1.947 4.588 1.00 0.00 C ATOM 493 CG PRO A 31 8.112 3.249 4.204 1.00 0.00 C ATOM 494 CD PRO A 31 7.472 3.064 2.849 1.00 0.00 C ATOM 0 HA PRO A 31 8.632 0.032 3.508 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.635 1.763 5.657 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.805 1.944 4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.368 3.549 4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.862 4.039 4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 31 6.441 3.416 2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.003 3.625 2.079 1.00 0.00 H new ATOM 502 N GLU A 32 7.111 -0.860 5.205 1.00 0.00 N ATOM 503 CA GLU A 32 6.099 -1.547 6.002 1.00 0.00 C ATOM 504 C GLU A 32 5.311 -0.571 6.873 1.00 0.00 C ATOM 505 O GLU A 32 4.093 -0.695 7.010 1.00 0.00 O ATOM 506 CB GLU A 32 6.758 -2.610 6.884 1.00 0.00 C ATOM 507 CG GLU A 32 5.777 -3.353 7.778 1.00 0.00 C ATOM 508 CD GLU A 32 6.460 -4.360 8.682 1.00 0.00 C ATOM 509 OE1 GLU A 32 6.897 -3.968 9.784 1.00 0.00 O ATOM 510 OE2 GLU A 32 6.561 -5.540 8.286 1.00 0.00 O ATOM 0 H GLU A 32 8.016 -1.330 5.182 1.00 0.00 H new ATOM 0 HA GLU A 32 5.402 -2.023 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.274 -3.329 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.516 -2.135 7.507 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.231 -2.634 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.043 -3.867 7.157 1.00 0.00 H new ATOM 517 N ASP A 33 6.012 0.397 7.457 1.00 0.00 N ATOM 518 CA ASP A 33 5.384 1.393 8.322 1.00 0.00 C ATOM 519 C ASP A 33 4.135 1.997 7.682 1.00 0.00 C ATOM 520 O ASP A 33 3.090 2.101 8.324 1.00 0.00 O ATOM 521 CB ASP A 33 6.384 2.502 8.655 1.00 0.00 C ATOM 522 CG ASP A 33 7.619 1.974 9.357 1.00 0.00 C ATOM 523 OD1 ASP A 33 8.576 1.579 8.659 1.00 0.00 O ATOM 524 OD2 ASP A 33 7.630 1.956 10.606 1.00 0.00 O ATOM 0 H ASP A 33 7.019 0.513 7.347 1.00 0.00 H new ATOM 0 HA ASP A 33 5.077 0.887 9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.680 3.008 7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.900 3.246 9.287 1.00 0.00 H new ATOM 529 N GLU A 34 4.247 2.393 6.418 1.00 0.00 N ATOM 530 CA GLU A 34 3.146 2.987 5.702 1.00 0.00 C ATOM 531 C GLU A 34 2.136 1.928 5.257 1.00 0.00 C ATOM 532 O GLU A 34 0.957 2.226 5.063 1.00 0.00 O ATOM 533 CB GLU A 34 3.700 3.740 4.495 1.00 0.00 C ATOM 534 CG GLU A 34 2.636 4.112 3.501 1.00 0.00 C ATOM 535 CD GLU A 34 3.028 5.280 2.618 1.00 0.00 C ATOM 536 OE1 GLU A 34 2.793 6.437 3.025 1.00 0.00 O ATOM 537 OE2 GLU A 34 3.569 5.038 1.518 1.00 0.00 O ATOM 0 H GLU A 34 5.104 2.308 5.871 1.00 0.00 H new ATOM 0 HA GLU A 34 2.620 3.677 6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.203 4.644 4.837 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.452 3.124 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.416 3.248 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.719 4.360 4.035 1.00 0.00 H new ATOM 544 N LEU A 35 2.601 0.692 5.109 1.00 0.00 N ATOM 545 CA LEU A 35 1.736 -0.400 4.677 1.00 0.00 C ATOM 546 C LEU A 35 0.756 -0.800 5.777 1.00 0.00 C ATOM 547 O LEU A 35 -0.394 -1.141 5.499 1.00 0.00 O ATOM 548 CB LEU A 35 2.571 -1.612 4.262 1.00 0.00 C ATOM 549 CG LEU A 35 1.882 -2.564 3.283 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.039 -2.063 1.855 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.438 -3.971 3.423 1.00 0.00 C ATOM 0 H LEU A 35 3.569 0.422 5.281 1.00 0.00 H new ATOM 0 HA LEU A 35 1.164 -0.048 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.498 -1.259 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.845 -2.170 5.157 1.00 0.00 H new ATOM 0 HG LEU A 35 0.819 -2.594 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.543 -2.752 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.588 -1.075 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.098 -2.003 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.935 -4.633 2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.507 -3.962 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.271 -4.329 4.439 1.00 0.00 H new ATOM 563 N GLU A 36 1.218 -0.758 7.025 1.00 0.00 N ATOM 564 CA GLU A 36 0.377 -1.119 8.162 1.00 0.00 C ATOM 565 C GLU A 36 -0.851 -0.218 8.234 1.00 0.00 C ATOM 566 O GLU A 36 -1.899 -0.620 8.741 1.00 0.00 O ATOM 567 CB GLU A 36 1.171 -1.024 9.467 1.00 0.00 C ATOM 568 CG GLU A 36 2.349 -1.981 9.533 1.00 0.00 C ATOM 569 CD GLU A 36 3.090 -1.902 10.853 1.00 0.00 C ATOM 570 OE1 GLU A 36 4.021 -1.076 10.963 1.00 0.00 O ATOM 571 OE2 GLU A 36 2.740 -2.665 11.777 1.00 0.00 O ATOM 0 H GLU A 36 2.167 -0.478 7.273 1.00 0.00 H new ATOM 0 HA GLU A 36 0.046 -2.148 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.535 -0.004 9.587 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.503 -1.225 10.305 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.994 -3.000 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.039 -1.759 8.719 1.00 0.00 H new ATOM 578 N GLU A 37 -0.713 1.000 7.721 1.00 0.00 N ATOM 579 CA GLU A 37 -1.811 1.960 7.722 1.00 0.00 C ATOM 580 C GLU A 37 -2.834 1.616 6.645 1.00 0.00 C ATOM 581 O GLU A 37 -4.014 1.945 6.768 1.00 0.00 O ATOM 582 CB GLU A 37 -1.276 3.376 7.501 1.00 0.00 C ATOM 583 CG GLU A 37 -0.243 3.806 8.529 1.00 0.00 C ATOM 584 CD GLU A 37 0.281 5.206 8.280 1.00 0.00 C ATOM 585 OE1 GLU A 37 1.245 5.349 7.499 1.00 0.00 O ATOM 586 OE2 GLU A 37 -0.274 6.161 8.864 1.00 0.00 O ATOM 0 H GLU A 37 0.149 1.346 7.299 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.303 1.912 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.833 3.437 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.110 4.077 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.685 3.760 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.590 3.103 8.517 1.00 0.00 H new ATOM 593 N ILE A 38 -2.374 0.950 5.588 1.00 0.00 N ATOM 594 CA ILE A 38 -3.247 0.565 4.485 1.00 0.00 C ATOM 595 C ILE A 38 -4.214 -0.536 4.905 1.00 0.00 C ATOM 596 O ILE A 38 -5.417 -0.447 4.656 1.00 0.00 O ATOM 597 CB ILE A 38 -2.437 0.078 3.269 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.301 1.056 2.960 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.351 -0.085 2.061 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.427 0.629 1.801 1.00 0.00 C ATOM 0 H ILE A 38 -1.401 0.666 5.473 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.811 1.455 4.206 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.998 -0.892 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.727 2.035 2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.680 1.170 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.768 -0.430 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.128 -0.815 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.813 0.873 1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.355 1.371 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.028 -0.336 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.034 0.543 0.900 1.00 0.00 H new ATOM 612 N ARG A 39 -3.681 -1.572 5.543 1.00 0.00 N ATOM 613 CA ARG A 39 -4.495 -2.695 5.991 1.00 0.00 C ATOM 614 C ARG A 39 -5.434 -2.286 7.116 1.00 0.00 C ATOM 615 O ARG A 39 -6.632 -2.168 6.910 1.00 0.00 O ATOM 616 CB ARG A 39 -3.601 -3.845 6.458 1.00 0.00 C ATOM 617 CG ARG A 39 -2.732 -4.423 5.356 1.00 0.00 C ATOM 618 CD ARG A 39 -1.297 -4.613 5.822 1.00 0.00 C ATOM 619 NE ARG A 39 -1.214 -5.501 6.979 1.00 0.00 N ATOM 620 CZ ARG A 39 -0.081 -5.779 7.618 1.00 0.00 C ATOM 621 NH1 ARG A 39 1.066 -5.258 7.202 1.00 0.00 N ATOM 622 NH2 ARG A 39 -0.094 -6.585 8.671 1.00 0.00 N ATOM 0 H ARG A 39 -2.688 -1.657 5.762 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.098 -3.025 5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.961 -3.492 7.267 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.227 -4.637 6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.141 -5.380 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.750 -3.760 4.491 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.701 -5.023 5.006 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.866 -3.644 6.076 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.074 -5.933 7.316 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.081 -4.642 6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.933 -5.474 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.973 -6.992 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.775 -6.798 9.161 1.00 0.00 H new ATOM 636 N GLU A 40 -4.875 -2.031 8.295 1.00 0.00 N ATOM 637 CA GLU A 40 -5.668 -1.659 9.467 1.00 0.00 C ATOM 638 C GLU A 40 -6.831 -0.728 9.112 1.00 0.00 C ATOM 639 O GLU A 40 -7.884 -0.778 9.744 1.00 0.00 O ATOM 640 CB GLU A 40 -4.774 -0.994 10.514 1.00 0.00 C ATOM 641 CG GLU A 40 -3.649 -1.889 11.011 1.00 0.00 C ATOM 642 CD GLU A 40 -4.159 -3.163 11.658 1.00 0.00 C ATOM 643 OE1 GLU A 40 -4.346 -4.164 10.934 1.00 0.00 O ATOM 644 OE2 GLU A 40 -4.370 -3.160 12.888 1.00 0.00 O ATOM 0 H GLU A 40 -3.871 -2.075 8.467 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.095 -2.576 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.345 -0.087 10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.387 -0.690 11.363 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.998 -2.146 10.175 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.042 -1.338 11.730 1.00 0.00 H new ATOM 651 N ALA A 41 -6.649 0.100 8.091 1.00 0.00 N ATOM 652 CA ALA A 41 -7.685 1.042 7.678 1.00 0.00 C ATOM 653 C ALA A 41 -8.907 0.354 7.058 1.00 0.00 C ATOM 654 O ALA A 41 -9.938 0.187 7.714 1.00 0.00 O ATOM 655 CB ALA A 41 -7.109 2.060 6.706 1.00 0.00 C ATOM 0 H ALA A 41 -5.796 0.139 7.534 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.031 1.546 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.890 2.758 6.404 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.300 2.608 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.723 1.545 5.826 1.00 0.00 H new ATOM 661 N PHE A 42 -8.785 -0.059 5.799 1.00 0.00 N ATOM 662 CA PHE A 42 -9.899 -0.680 5.085 1.00 0.00 C ATOM 663 C PHE A 42 -10.112 -2.139 5.484 1.00 0.00 C ATOM 664 O PHE A 42 -11.195 -2.689 5.286 1.00 0.00 O ATOM 665 CB PHE A 42 -9.669 -0.569 3.578 1.00 0.00 C ATOM 666 CG PHE A 42 -10.007 0.784 3.019 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.296 1.908 3.407 1.00 0.00 C ATOM 668 CD2 PHE A 42 -11.042 0.932 2.108 1.00 0.00 C ATOM 669 CE1 PHE A 42 -9.610 3.154 2.897 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.361 2.175 1.596 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.644 3.288 1.991 1.00 0.00 C ATOM 0 H PHE A 42 -7.928 0.025 5.252 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.806 -0.143 5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.625 -0.793 3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.269 -1.324 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.487 1.810 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -11.605 0.065 1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.047 4.022 3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.170 2.276 0.888 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.891 4.261 1.592 1.00 0.00 H new ATOM 681 N LYS A 43 -9.085 -2.760 6.045 1.00 0.00 N ATOM 682 CA LYS A 43 -9.174 -4.156 6.459 1.00 0.00 C ATOM 683 C LYS A 43 -10.152 -4.323 7.620 1.00 0.00 C ATOM 684 O LYS A 43 -10.882 -5.311 7.681 1.00 0.00 O ATOM 685 CB LYS A 43 -7.794 -4.692 6.851 1.00 0.00 C ATOM 686 CG LYS A 43 -7.598 -6.170 6.550 1.00 0.00 C ATOM 687 CD LYS A 43 -7.735 -6.468 5.063 1.00 0.00 C ATOM 688 CE LYS A 43 -6.757 -5.651 4.228 1.00 0.00 C ATOM 689 NZ LYS A 43 -6.862 -5.976 2.779 1.00 0.00 N ATOM 0 H LYS A 43 -8.181 -2.322 6.225 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.546 -4.732 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.030 -4.120 6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.640 -4.525 7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.612 -6.483 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.331 -6.754 7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.563 -7.530 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.754 -6.253 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.951 -4.589 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.740 -5.841 4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.094 -5.504 2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.787 -7.005 2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.779 -5.646 2.415 1.00 0.00 H new ATOM 703 N VAL A 44 -10.168 -3.360 8.544 1.00 0.00 N ATOM 704 CA VAL A 44 -11.074 -3.437 9.686 1.00 0.00 C ATOM 705 C VAL A 44 -12.511 -3.155 9.264 1.00 0.00 C ATOM 706 O VAL A 44 -13.446 -3.746 9.803 1.00 0.00 O ATOM 707 CB VAL A 44 -10.680 -2.470 10.820 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.289 -2.796 11.340 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.763 -1.024 10.356 1.00 0.00 C ATOM 0 H VAL A 44 -9.573 -2.531 8.524 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.996 -4.455 10.067 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.388 -2.598 11.638 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.028 -2.103 12.140 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.274 -3.816 11.724 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.566 -2.703 10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.480 -0.362 11.175 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.085 -0.872 9.516 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.783 -0.800 10.044 1.00 0.00 H new ATOM 719 N PHE A 45 -12.689 -2.248 8.301 1.00 0.00 N ATOM 720 CA PHE A 45 -14.029 -1.921 7.822 1.00 0.00 C ATOM 721 C PHE A 45 -14.703 -3.160 7.242 1.00 0.00 C ATOM 722 O PHE A 45 -15.924 -3.202 7.089 1.00 0.00 O ATOM 723 CB PHE A 45 -13.987 -0.799 6.777 1.00 0.00 C ATOM 724 CG PHE A 45 -13.531 0.524 7.329 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.103 1.046 8.480 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.532 1.246 6.698 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.685 2.262 8.989 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.110 2.462 7.202 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.688 2.970 8.349 1.00 0.00 C ATOM 0 H PHE A 45 -11.934 -1.735 7.845 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.612 -1.568 8.672 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.320 -1.094 5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.981 -0.679 6.345 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.884 0.496 8.984 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.077 0.854 5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.138 2.657 9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.329 3.014 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.360 3.920 8.745 1.00 0.00 H new ATOM 739 N ASP A 46 -13.894 -4.169 6.923 1.00 0.00 N ATOM 740 CA ASP A 46 -14.406 -5.420 6.377 1.00 0.00 C ATOM 741 C ASP A 46 -15.105 -6.219 7.473 1.00 0.00 C ATOM 742 O ASP A 46 -14.478 -7.012 8.176 1.00 0.00 O ATOM 743 CB ASP A 46 -13.266 -6.237 5.768 1.00 0.00 C ATOM 744 CG ASP A 46 -13.753 -7.496 5.076 1.00 0.00 C ATOM 745 OD1 ASP A 46 -14.971 -7.602 4.824 1.00 0.00 O ATOM 746 OD2 ASP A 46 -12.915 -8.373 4.781 1.00 0.00 O ATOM 0 H ASP A 46 -12.880 -4.142 7.034 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.128 -5.194 5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.725 -5.620 5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.560 -6.509 6.552 1.00 0.00 H new ATOM 751 N ARG A 47 -16.407 -5.994 7.612 1.00 0.00 N ATOM 752 CA ARG A 47 -17.206 -6.668 8.630 1.00 0.00 C ATOM 753 C ARG A 47 -17.066 -8.185 8.548 1.00 0.00 C ATOM 754 O ARG A 47 -16.990 -8.863 9.572 1.00 0.00 O ATOM 755 CB ARG A 47 -18.675 -6.270 8.490 1.00 0.00 C ATOM 756 CG ARG A 47 -18.889 -4.767 8.403 1.00 0.00 C ATOM 757 CD ARG A 47 -20.367 -4.419 8.331 1.00 0.00 C ATOM 758 NE ARG A 47 -21.087 -4.845 9.527 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.401 -5.038 9.565 1.00 0.00 C ATOM 760 NH1 ARG A 47 -23.135 -4.849 8.476 1.00 0.00 N ATOM 761 NH2 ARG A 47 -22.983 -5.421 10.693 1.00 0.00 N ATOM 0 H ARG A 47 -16.935 -5.345 7.028 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.834 -6.353 9.605 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.087 -6.740 7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.232 -6.660 9.342 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.442 -4.284 9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.379 -4.376 7.523 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.480 -3.342 8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.809 -4.892 7.454 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.552 -5.003 10.381 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.691 -4.555 7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.144 -4.998 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.422 -5.568 11.532 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -23.992 -5.569 10.722 1.00 0.00 H new ATOM 775 N ASP A 48 -17.034 -8.716 7.329 1.00 0.00 N ATOM 776 CA ASP A 48 -16.907 -10.158 7.134 1.00 0.00 C ATOM 777 C ASP A 48 -15.465 -10.615 7.331 1.00 0.00 C ATOM 778 O ASP A 48 -15.206 -11.793 7.580 1.00 0.00 O ATOM 779 CB ASP A 48 -17.389 -10.550 5.736 1.00 0.00 C ATOM 780 CG ASP A 48 -18.814 -10.109 5.471 1.00 0.00 C ATOM 781 OD1 ASP A 48 -19.744 -10.875 5.799 1.00 0.00 O ATOM 782 OD2 ASP A 48 -19.002 -8.996 4.934 1.00 0.00 O ATOM 0 H ASP A 48 -17.094 -8.174 6.467 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.529 -10.652 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -16.730 -10.106 4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.319 -11.632 5.621 1.00 0.00 H new ATOM 787 N GLY A 49 -14.533 -9.674 7.224 1.00 0.00 N ATOM 788 CA GLY A 49 -13.127 -9.990 7.401 1.00 0.00 C ATOM 789 C GLY A 49 -12.632 -11.052 6.437 1.00 0.00 C ATOM 790 O GLY A 49 -11.604 -11.684 6.681 1.00 0.00 O ATOM 0 H GLY A 49 -14.727 -8.694 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.537 -9.083 7.268 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.963 -10.330 8.423 1.00 0.00 H new ATOM 794 N ASN A 50 -13.358 -11.248 5.340 1.00 0.00 N ATOM 795 CA ASN A 50 -12.981 -12.242 4.342 1.00 0.00 C ATOM 796 C ASN A 50 -11.829 -11.739 3.476 1.00 0.00 C ATOM 797 O ASN A 50 -11.365 -12.440 2.577 1.00 0.00 O ATOM 798 CB ASN A 50 -14.181 -12.600 3.462 1.00 0.00 C ATOM 799 CG ASN A 50 -14.965 -11.378 3.024 1.00 0.00 C ATOM 800 OD1 ASN A 50 -14.413 -10.287 2.883 1.00 0.00 O ATOM 801 ND2 ASN A 50 -16.264 -11.556 2.806 1.00 0.00 N ATOM 0 H ASN A 50 -14.210 -10.732 5.120 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.650 -13.137 4.869 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.833 -13.140 2.581 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.840 -13.274 4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.844 -10.771 2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.681 -12.478 2.935 1.00 0.00 H new ATOM 808 N GLY A 51 -11.374 -10.522 3.755 1.00 0.00 N ATOM 809 CA GLY A 51 -10.280 -9.946 2.995 1.00 0.00 C ATOM 810 C GLY A 51 -10.762 -9.017 1.900 1.00 0.00 C ATOM 811 O GLY A 51 -10.000 -8.194 1.393 1.00 0.00 O ATOM 0 H GLY A 51 -11.743 -9.924 4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.622 -9.397 3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.687 -10.747 2.553 1.00 0.00 H new ATOM 815 N PHE A 52 -12.032 -9.151 1.533 1.00 0.00 N ATOM 816 CA PHE A 52 -12.620 -8.317 0.492 1.00 0.00 C ATOM 817 C PHE A 52 -13.693 -7.405 1.081 1.00 0.00 C ATOM 818 O PHE A 52 -14.473 -7.822 1.936 1.00 0.00 O ATOM 819 CB PHE A 52 -13.223 -9.189 -0.612 1.00 0.00 C ATOM 820 CG PHE A 52 -12.434 -10.437 -0.896 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.396 -10.425 -1.813 1.00 0.00 C ATOM 822 CD2 PHE A 52 -12.734 -11.622 -0.242 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.670 -11.573 -2.074 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.013 -12.772 -0.499 1.00 0.00 C ATOM 825 CZ PHE A 52 -10.980 -12.748 -1.416 1.00 0.00 C ATOM 0 H PHE A 52 -12.674 -9.830 1.942 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.832 -7.699 0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.238 -9.468 -0.329 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.298 -8.601 -1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.151 -9.509 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.540 -11.646 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.862 -11.551 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.257 -13.689 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.416 -13.646 -1.618 1.00 0.00 H new ATOM 835 N ILE A 53 -13.726 -6.159 0.619 1.00 0.00 N ATOM 836 CA ILE A 53 -14.703 -5.192 1.107 1.00 0.00 C ATOM 837 C ILE A 53 -15.833 -4.995 0.097 1.00 0.00 C ATOM 838 O ILE A 53 -15.596 -4.616 -1.050 1.00 0.00 O ATOM 839 CB ILE A 53 -14.035 -3.833 1.403 1.00 0.00 C ATOM 840 CG1 ILE A 53 -12.926 -4.005 2.445 1.00 0.00 C ATOM 841 CG2 ILE A 53 -15.069 -2.824 1.886 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.774 -3.042 2.264 1.00 0.00 C ATOM 0 H ILE A 53 -13.089 -5.796 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.121 -5.591 2.031 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.592 -3.455 0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.349 -3.870 3.440 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.547 -5.026 2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.580 -1.871 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.828 -2.685 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.539 -3.193 2.797 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.026 -3.221 3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.325 -3.192 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.140 -2.018 2.343 1.00 0.00 H new ATOM 854 N SER A 54 -17.062 -5.257 0.537 1.00 0.00 N ATOM 855 CA SER A 54 -18.237 -5.115 -0.318 1.00 0.00 C ATOM 856 C SER A 54 -18.724 -3.670 -0.344 1.00 0.00 C ATOM 857 O SER A 54 -18.111 -2.795 0.260 1.00 0.00 O ATOM 858 CB SER A 54 -19.358 -6.031 0.170 1.00 0.00 C ATOM 859 OG SER A 54 -19.041 -7.394 -0.058 1.00 0.00 O ATOM 0 H SER A 54 -17.270 -5.570 1.485 1.00 0.00 H new ATOM 0 HA SER A 54 -17.954 -5.401 -1.331 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.528 -5.867 1.234 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.286 -5.780 -0.343 1.00 0.00 H new ATOM 0 HG SER A 54 -18.073 -7.523 0.025 1.00 0.00 H new ATOM 865 N LYS A 55 -19.821 -3.421 -1.058 1.00 0.00 N ATOM 866 CA LYS A 55 -20.381 -2.076 -1.155 1.00 0.00 C ATOM 867 C LYS A 55 -20.879 -1.578 0.201 1.00 0.00 C ATOM 868 O LYS A 55 -20.523 -0.484 0.639 1.00 0.00 O ATOM 869 CB LYS A 55 -21.536 -2.049 -2.163 1.00 0.00 C ATOM 870 CG LYS A 55 -21.099 -2.234 -3.609 1.00 0.00 C ATOM 871 CD LYS A 55 -20.866 -3.698 -3.949 1.00 0.00 C ATOM 872 CE LYS A 55 -22.176 -4.463 -4.055 1.00 0.00 C ATOM 873 NZ LYS A 55 -21.957 -5.895 -4.394 1.00 0.00 N ATOM 0 H LYS A 55 -20.338 -4.132 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.584 -1.414 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.248 -2.834 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -22.062 -1.099 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.860 -1.824 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -20.183 -1.670 -3.786 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.324 -3.771 -4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.238 -4.154 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.715 -4.392 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.805 -4.002 -4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.874 -6.381 -4.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.465 -5.964 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.378 -6.342 -3.655 1.00 0.00 H new ATOM 887 N GLN A 56 -21.704 -2.388 0.859 1.00 0.00 N ATOM 888 CA GLN A 56 -22.266 -2.027 2.158 1.00 0.00 C ATOM 889 C GLN A 56 -21.170 -1.775 3.188 1.00 0.00 C ATOM 890 O GLN A 56 -21.353 -1.000 4.128 1.00 0.00 O ATOM 891 CB GLN A 56 -23.202 -3.132 2.653 1.00 0.00 C ATOM 892 CG GLN A 56 -24.302 -3.485 1.664 1.00 0.00 C ATOM 893 CD GLN A 56 -25.175 -2.297 1.307 1.00 0.00 C ATOM 894 OE1 GLN A 56 -25.377 -1.394 2.119 1.00 0.00 O ATOM 895 NE2 GLN A 56 -25.693 -2.290 0.085 1.00 0.00 N ATOM 0 H GLN A 56 -21.999 -3.301 0.513 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.831 -1.103 2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.615 -4.026 2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.656 -2.818 3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -23.853 -3.886 0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.925 -4.274 2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -25.499 -3.060 -0.556 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -26.285 -1.515 -0.214 1.00 0.00 H new ATOM 904 N GLU A 57 -20.031 -2.433 3.007 1.00 0.00 N ATOM 905 CA GLU A 57 -18.904 -2.284 3.921 1.00 0.00 C ATOM 906 C GLU A 57 -18.077 -1.050 3.566 1.00 0.00 C ATOM 907 O GLU A 57 -17.772 -0.220 4.424 1.00 0.00 O ATOM 908 CB GLU A 57 -18.029 -3.538 3.873 1.00 0.00 C ATOM 909 CG GLU A 57 -18.783 -4.810 4.227 1.00 0.00 C ATOM 910 CD GLU A 57 -17.931 -6.056 4.093 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.903 -6.639 2.989 1.00 0.00 O ATOM 912 OE2 GLU A 57 -17.294 -6.451 5.090 1.00 0.00 O ATOM 0 H GLU A 57 -19.863 -3.077 2.234 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.291 -2.155 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.607 -3.640 2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.193 -3.416 4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.151 -4.736 5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.656 -4.901 3.580 1.00 0.00 H new ATOM 919 N LEU A 58 -17.721 -0.942 2.292 1.00 0.00 N ATOM 920 CA LEU A 58 -16.939 0.183 1.800 1.00 0.00 C ATOM 921 C LEU A 58 -17.688 1.492 2.041 1.00 0.00 C ATOM 922 O LEU A 58 -17.080 2.552 2.194 1.00 0.00 O ATOM 923 CB LEU A 58 -16.656 -0.011 0.303 1.00 0.00 C ATOM 924 CG LEU A 58 -15.438 0.728 -0.273 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.736 2.206 -0.469 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.216 0.537 0.615 1.00 0.00 C ATOM 0 H LEU A 58 -17.964 -1.627 1.576 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.992 0.230 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.526 -1.077 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.539 0.304 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.219 0.297 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.856 2.703 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.571 2.320 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.994 2.655 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.367 1.070 0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.425 0.929 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.980 -0.525 0.686 1.00 0.00 H new ATOM 938 N GLY A 59 -19.015 1.403 2.091 1.00 0.00 N ATOM 939 CA GLY A 59 -19.833 2.581 2.315 1.00 0.00 C ATOM 940 C GLY A 59 -19.651 3.146 3.709 1.00 0.00 C ATOM 941 O GLY A 59 -19.959 4.310 3.962 1.00 0.00 O ATOM 0 H GLY A 59 -19.538 0.534 1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.578 3.344 1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -20.882 2.328 2.161 1.00 0.00 H new ATOM 945 N THR A 60 -19.147 2.315 4.615 1.00 0.00 N ATOM 946 CA THR A 60 -18.911 2.732 5.990 1.00 0.00 C ATOM 947 C THR A 60 -17.526 3.353 6.120 1.00 0.00 C ATOM 948 O THR A 60 -17.252 4.111 7.050 1.00 0.00 O ATOM 949 CB THR A 60 -19.032 1.545 6.966 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.280 0.871 6.763 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.937 2.012 8.411 1.00 0.00 C ATOM 0 H THR A 60 -18.894 1.346 4.420 1.00 0.00 H new ATOM 0 HA THR A 60 -19.671 3.470 6.247 1.00 0.00 H new ATOM 0 HB THR A 60 -18.207 0.860 6.769 1.00 0.00 H new ATOM 0 HG1 THR A 60 -20.350 0.117 7.385 1.00 0.00 H new ATOM 0 HG21 THR A 60 -19.026 1.154 9.077 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.976 2.500 8.573 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.742 2.717 8.619 1.00 0.00 H new ATOM 959 N ALA A 61 -16.654 3.022 5.172 1.00 0.00 N ATOM 960 CA ALA A 61 -15.294 3.545 5.161 1.00 0.00 C ATOM 961 C ALA A 61 -15.259 4.989 4.667 1.00 0.00 C ATOM 962 O ALA A 61 -14.607 5.845 5.266 1.00 0.00 O ATOM 963 CB ALA A 61 -14.403 2.673 4.291 1.00 0.00 C ATOM 0 H ALA A 61 -16.867 2.391 4.399 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.920 3.530 6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.390 3.074 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.391 1.657 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.789 2.662 3.272 1.00 0.00 H new ATOM 969 N MET A 62 -15.962 5.252 3.569 1.00 0.00 N ATOM 970 CA MET A 62 -16.007 6.590 2.987 1.00 0.00 C ATOM 971 C MET A 62 -16.613 7.601 3.956 1.00 0.00 C ATOM 972 O MET A 62 -16.091 8.705 4.118 1.00 0.00 O ATOM 973 CB MET A 62 -16.804 6.574 1.680 1.00 0.00 C ATOM 974 CG MET A 62 -16.132 5.787 0.567 1.00 0.00 C ATOM 975 SD MET A 62 -14.525 6.466 0.108 1.00 0.00 S ATOM 976 CE MET A 62 -14.987 8.111 -0.430 1.00 0.00 C ATOM 0 H MET A 62 -16.509 4.555 3.064 1.00 0.00 H new ATOM 0 HA MET A 62 -14.982 6.896 2.779 1.00 0.00 H new ATOM 0 HB2 MET A 62 -17.789 6.149 1.870 1.00 0.00 H new ATOM 0 HB3 MET A 62 -16.959 7.600 1.346 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.007 4.751 0.884 1.00 0.00 H new ATOM 0 HG3 MET A 62 -16.781 5.777 -0.309 1.00 0.00 H new ATOM 0 HE1 MET A 62 -14.199 8.522 -1.061 1.00 0.00 H new ATOM 0 HE2 MET A 62 -15.916 8.061 -0.997 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.127 8.752 0.440 1.00 0.00 H new ATOM 986 N ARG A 63 -17.717 7.223 4.598 1.00 0.00 N ATOM 987 CA ARG A 63 -18.384 8.110 5.549 1.00 0.00 C ATOM 988 C ARG A 63 -17.452 8.473 6.700 1.00 0.00 C ATOM 989 O ARG A 63 -17.620 9.507 7.345 1.00 0.00 O ATOM 990 CB ARG A 63 -19.656 7.456 6.093 1.00 0.00 C ATOM 991 CG ARG A 63 -19.391 6.247 6.973 1.00 0.00 C ATOM 992 CD ARG A 63 -20.653 5.794 7.686 1.00 0.00 C ATOM 993 NE ARG A 63 -21.223 6.856 8.512 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.410 6.775 9.107 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.154 5.685 8.967 1.00 0.00 N ATOM 996 NH2 ARG A 63 -22.853 7.786 9.842 1.00 0.00 N ATOM 0 H ARG A 63 -18.166 6.315 4.478 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.655 9.024 5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.218 8.195 6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.286 7.154 5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.002 5.431 6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -18.624 6.491 7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.390 5.471 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.427 4.930 8.311 1.00 0.00 H new ATOM 0 HE ARG A 63 -20.679 7.709 8.640 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.816 4.906 8.402 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.064 5.626 9.425 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.284 8.625 9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -23.763 7.724 10.298 1.00 0.00 H new ATOM 1010 N SER A 64 -16.467 7.614 6.954 1.00 0.00 N ATOM 1011 CA SER A 64 -15.505 7.847 8.024 1.00 0.00 C ATOM 1012 C SER A 64 -14.491 8.914 7.619 1.00 0.00 C ATOM 1013 O SER A 64 -13.468 9.098 8.279 1.00 0.00 O ATOM 1014 CB SER A 64 -14.782 6.548 8.384 1.00 0.00 C ATOM 1015 OG SER A 64 -15.700 5.547 8.787 1.00 0.00 O ATOM 0 H SER A 64 -16.316 6.751 6.432 1.00 0.00 H new ATOM 0 HA SER A 64 -16.051 8.202 8.898 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.210 6.197 7.525 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.069 6.736 9.187 1.00 0.00 H new ATOM 0 HG SER A 64 -16.142 5.172 7.997 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.786 9.617 6.528 1.00 0.00 N ATOM 1022 CA LEU A 65 -13.910 10.670 6.029 1.00 0.00 C ATOM 1023 C LEU A 65 -14.653 12.000 5.991 1.00 0.00 C ATOM 1024 O LEU A 65 -14.040 13.068 5.966 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.400 10.320 4.629 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.785 8.926 4.486 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.390 8.663 3.041 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.581 8.776 5.404 1.00 0.00 C ATOM 0 H LEU A 65 -15.629 9.474 5.972 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.058 10.758 6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.229 10.407 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.655 11.060 4.336 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.533 8.189 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.954 7.667 2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.273 8.727 2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.659 9.406 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.157 7.778 5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.830 9.522 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.892 8.920 6.439 1.00 0.00 H new ATOM 1040 N GLY A 66 -15.980 11.920 5.985 1.00 0.00 N ATOM 1041 CA GLY A 66 -16.802 13.115 5.946 1.00 0.00 C ATOM 1042 C GLY A 66 -17.659 13.178 4.698 1.00 0.00 C ATOM 1043 O GLY A 66 -18.191 14.233 4.354 1.00 0.00 O ATOM 0 H GLY A 66 -16.502 11.044 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.443 13.142 6.827 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.162 13.996 5.990 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.789 12.041 4.019 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.587 11.961 2.800 1.00 0.00 C ATOM 1049 C TYR A 67 -19.539 10.770 2.854 1.00 0.00 C ATOM 1050 O TYR A 67 -19.191 9.667 2.432 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.676 11.836 1.576 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.491 12.773 1.602 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -16.597 14.071 1.119 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.266 12.360 2.113 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -15.515 14.931 1.142 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.180 13.214 2.140 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.310 14.498 1.654 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.230 15.351 1.681 1.00 0.00 O ATOM 0 H TYR A 67 -17.351 11.162 4.293 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.174 12.876 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.315 10.810 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.261 12.030 0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.540 14.414 0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.161 11.355 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.613 15.937 0.761 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.235 12.878 2.540 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.459 14.891 2.074 1.00 0.00 H new ATOM 1068 N MET A 68 -20.740 10.999 3.376 1.00 0.00 N ATOM 1069 CA MET A 68 -21.743 9.944 3.487 1.00 0.00 C ATOM 1070 C MET A 68 -22.174 9.447 2.105 1.00 0.00 C ATOM 1071 O MET A 68 -22.827 10.176 1.359 1.00 0.00 O ATOM 1072 CB MET A 68 -22.964 10.456 4.255 1.00 0.00 C ATOM 1073 CG MET A 68 -22.645 10.923 5.665 1.00 0.00 C ATOM 1074 SD MET A 68 -24.101 11.528 6.540 1.00 0.00 S ATOM 1075 CE MET A 68 -23.381 11.996 8.111 1.00 0.00 C ATOM 0 H MET A 68 -21.043 11.907 3.729 1.00 0.00 H new ATOM 0 HA MET A 68 -21.297 9.111 4.030 1.00 0.00 H new ATOM 0 HB2 MET A 68 -23.411 11.281 3.701 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.710 9.663 4.304 1.00 0.00 H new ATOM 0 HG2 MET A 68 -22.205 10.099 6.226 1.00 0.00 H new ATOM 0 HG3 MET A 68 -21.897 11.714 5.621 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.159 12.391 8.765 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.924 11.123 8.577 1.00 0.00 H new ATOM 0 HE3 MET A 68 -22.621 12.760 7.950 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.815 8.197 1.743 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.170 7.620 0.449 1.00 0.00 C ATOM 1087 C PRO A 69 -23.538 6.948 0.466 1.00 0.00 C ATOM 1088 O PRO A 69 -23.866 6.211 1.395 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.069 6.586 0.239 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.739 6.105 1.614 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.030 7.248 2.560 1.00 0.00 C ATOM 0 HA PRO A 69 -22.240 8.371 -0.338 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.409 5.768 -0.396 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.198 7.027 -0.247 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.336 5.230 1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.692 5.807 1.678 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.592 6.912 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.112 7.704 2.929 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.333 7.207 -0.569 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.665 6.624 -0.673 1.00 0.00 C ATOM 1101 C ASN A 70 -25.635 5.327 -1.478 1.00 0.00 C ATOM 1102 O ASN A 70 -24.572 4.882 -1.909 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.637 7.619 -1.304 1.00 0.00 C ATOM 1104 CG ASN A 70 -25.970 8.473 -2.358 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -25.886 7.950 -3.570 1.00 0.00 O flip ATOM 1106 ND2 ASN A 70 -25.527 9.589 -2.083 1.00 0.00 N flip ATOM 0 H ASN A 70 -24.077 7.816 -1.346 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.009 6.390 0.334 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -27.471 7.077 -1.751 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.053 8.261 -0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -25.614 9.953 -1.134 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -25.073 10.149 -2.804 1.00 0.00 H new ATOM 1113 N GLU A 71 -26.804 4.727 -1.677 1.00 0.00 N ATOM 1114 CA GLU A 71 -26.908 3.475 -2.422 1.00 0.00 C ATOM 1115 C GLU A 71 -26.356 3.619 -3.839 1.00 0.00 C ATOM 1116 O GLU A 71 -25.970 2.632 -4.467 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.365 3.009 -2.478 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.305 4.021 -3.113 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.740 3.533 -3.164 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.449 3.666 -2.145 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.154 3.019 -4.224 1.00 0.00 O ATOM 0 H GLU A 71 -27.694 5.087 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.310 2.729 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.418 2.076 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.708 2.793 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.262 4.954 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -28.964 4.243 -4.124 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.318 4.851 -4.335 1.00 0.00 N ATOM 1129 CA VAL A 72 -25.822 5.117 -5.680 1.00 0.00 C ATOM 1130 C VAL A 72 -24.319 5.387 -5.681 1.00 0.00 C ATOM 1131 O VAL A 72 -23.647 5.200 -6.696 1.00 0.00 O ATOM 1132 CB VAL A 72 -26.553 6.319 -6.313 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.175 6.468 -7.779 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -28.058 6.170 -6.156 1.00 0.00 C ATOM 0 H VAL A 72 -26.624 5.680 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.019 4.223 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 72 -26.242 7.224 -5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -26.702 7.322 -8.206 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -25.100 6.626 -7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -26.452 5.563 -8.320 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -28.558 7.027 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -28.387 5.256 -6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -28.310 6.120 -5.097 1.00 0.00 H new ATOM 1144 N GLU A 73 -23.794 5.821 -4.539 1.00 0.00 N ATOM 1145 CA GLU A 73 -22.372 6.125 -4.419 1.00 0.00 C ATOM 1146 C GLU A 73 -21.528 4.858 -4.285 1.00 0.00 C ATOM 1147 O GLU A 73 -20.607 4.634 -5.069 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.124 7.046 -3.221 1.00 0.00 C ATOM 1149 CG GLU A 73 -22.562 8.483 -3.457 1.00 0.00 C ATOM 1150 CD GLU A 73 -21.824 9.133 -4.611 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -22.310 9.033 -5.758 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -20.761 9.740 -4.369 1.00 0.00 O ATOM 0 H GLU A 73 -24.331 5.970 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.069 6.632 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.654 6.651 -2.354 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.062 7.034 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -23.633 8.505 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -22.395 9.064 -2.550 1.00 0.00 H new ATOM 1159 N LEU A 74 -21.847 4.031 -3.293 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.101 2.794 -3.059 1.00 0.00 C ATOM 1161 C LEU A 74 -21.091 1.892 -4.293 1.00 0.00 C ATOM 1162 O LEU A 74 -20.309 0.944 -4.368 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.675 2.043 -1.852 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.202 1.984 -1.774 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.757 0.972 -2.764 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.648 1.646 -0.358 1.00 0.00 C ATOM 0 H LEU A 74 -22.614 4.192 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.068 3.070 -2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.290 1.023 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.301 2.513 -0.943 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.595 2.966 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.844 0.949 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.469 1.257 -3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.356 -0.016 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.737 1.608 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.240 0.677 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.287 2.411 0.330 1.00 0.00 H new ATOM 1178 N GLU A 75 -21.958 2.184 -5.258 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.034 1.389 -6.481 1.00 0.00 C ATOM 1180 C GLU A 75 -21.074 1.908 -7.551 1.00 0.00 C ATOM 1181 O GLU A 75 -20.589 1.138 -8.381 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.464 1.384 -7.027 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.403 0.450 -6.279 1.00 0.00 C ATOM 1184 CD GLU A 75 -24.035 -1.010 -6.453 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -24.111 -1.510 -7.595 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -23.670 -1.653 -5.447 1.00 0.00 O ATOM 0 H GLU A 75 -22.616 2.962 -5.218 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.740 0.371 -6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.863 2.397 -6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.441 1.096 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.389 0.700 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -25.423 0.608 -6.631 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.799 3.212 -7.533 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.906 3.812 -8.520 1.00 0.00 C ATOM 1195 C VAL A 76 -18.451 3.812 -8.056 1.00 0.00 C ATOM 1196 O VAL A 76 -17.531 3.825 -8.872 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.324 5.257 -8.867 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.753 5.290 -9.387 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.169 6.172 -7.661 1.00 0.00 C ATOM 0 H VAL A 76 -21.179 3.868 -6.851 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.989 3.192 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.664 5.622 -9.654 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.030 6.317 -9.626 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.828 4.676 -10.284 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.427 4.901 -8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.470 7.184 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.798 5.811 -6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.128 6.177 -7.339 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.249 3.806 -6.745 1.00 0.00 N ATOM 1210 CA ILE A 77 -16.904 3.811 -6.178 1.00 0.00 C ATOM 1211 C ILE A 77 -16.292 2.412 -6.168 1.00 0.00 C ATOM 1212 O ILE A 77 -15.075 2.256 -6.271 1.00 0.00 O ATOM 1213 CB ILE A 77 -16.916 4.374 -4.745 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.485 5.792 -4.748 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.516 4.361 -4.150 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.381 6.083 -3.568 1.00 0.00 C ATOM 0 H ILE A 77 -18.998 3.798 -6.053 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.292 4.452 -6.813 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.551 3.741 -4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -16.661 6.506 -4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.048 5.947 -5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.547 4.763 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.142 3.338 -4.123 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.854 4.973 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.749 7.107 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.225 5.393 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.817 5.960 -2.644 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.143 1.398 -6.047 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.683 0.015 -6.006 1.00 0.00 C ATOM 1230 C ILE A 78 -16.320 -0.507 -7.397 1.00 0.00 C ATOM 1231 O ILE A 78 -15.549 -1.458 -7.526 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.749 -0.903 -5.362 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.824 -0.645 -3.853 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.457 -2.374 -5.638 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.543 -0.969 -3.112 1.00 0.00 C ATOM 0 H ILE A 78 -18.155 1.508 -5.976 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.782 -0.001 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.714 -0.667 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -18.075 0.402 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.636 -1.238 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.225 -2.991 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.455 -2.549 -6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.482 -2.635 -5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.674 -0.761 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.301 -2.023 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.731 -0.357 -3.504 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.852 0.126 -8.437 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.571 -0.307 -9.802 1.00 0.00 C ATOM 1249 C GLN A 79 -15.249 0.273 -10.294 1.00 0.00 C ATOM 1250 O GLN A 79 -14.681 -0.197 -11.279 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.707 0.098 -10.744 1.00 0.00 C ATOM 1252 CG GLN A 79 -17.914 1.599 -10.848 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.017 1.967 -11.820 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -19.978 1.218 -12.000 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.884 3.125 -12.455 1.00 0.00 N ATOM 0 H GLN A 79 -17.473 0.932 -8.364 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.492 -1.394 -9.799 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.502 -0.300 -11.738 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.633 -0.364 -10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.154 1.998 -9.863 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -16.983 2.070 -11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.071 3.715 -12.275 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.594 3.425 -13.122 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.766 1.297 -9.600 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.508 1.941 -9.961 1.00 0.00 C ATOM 1266 C ARG A 80 -12.323 1.133 -9.451 1.00 0.00 C ATOM 1267 O ARG A 80 -11.229 1.196 -10.012 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.454 3.358 -9.391 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.572 4.262 -9.882 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.369 4.674 -11.333 1.00 0.00 C ATOM 1271 NE ARG A 80 -14.541 3.554 -12.255 1.00 0.00 N ATOM 1272 CZ ARG A 80 -14.006 3.507 -13.472 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -13.264 4.515 -13.914 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -14.211 2.451 -14.248 1.00 0.00 N ATOM 0 H ARG A 80 -15.226 1.700 -8.784 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.453 1.992 -11.048 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.495 3.303 -8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.496 3.808 -9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.527 3.747 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.622 5.152 -9.255 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.077 5.463 -11.587 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.369 5.091 -11.454 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.105 2.761 -11.947 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.103 5.328 -13.320 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.855 4.476 -14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -14.779 1.674 -13.912 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -13.800 2.416 -15.181 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.548 0.375 -8.383 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.495 -0.443 -7.793 1.00 0.00 C ATOM 1290 C LEU A 81 -11.605 -1.893 -8.256 1.00 0.00 C ATOM 1291 O LEU A 81 -10.601 -2.533 -8.569 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.570 -0.374 -6.265 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.955 0.993 -5.689 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.934 0.955 -4.169 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -11.026 2.082 -6.207 1.00 0.00 C ATOM 0 H LEU A 81 -13.449 0.310 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.533 -0.051 -8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.294 -1.112 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.601 -0.662 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.968 1.226 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.210 1.934 -3.777 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.644 0.208 -3.814 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.933 0.695 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.320 3.043 -5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.001 1.855 -5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.091 2.129 -7.294 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.832 -2.406 -8.296 1.00 0.00 N ATOM 1308 CA ASP A 82 -13.078 -3.781 -8.718 1.00 0.00 C ATOM 1309 C ASP A 82 -12.794 -3.960 -10.207 1.00 0.00 C ATOM 1310 O ASP A 82 -13.686 -3.817 -11.044 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.522 -4.174 -8.404 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.791 -5.641 -8.662 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -13.985 -6.479 -8.206 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -15.810 -5.954 -9.311 1.00 0.00 O ATOM 0 H ASP A 82 -13.673 -1.888 -8.041 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.401 -4.433 -8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.739 -3.946 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.199 -3.571 -9.009 1.00 0.00 H new ATOM 1319 N MET A 83 -11.541 -4.273 -10.527 1.00 0.00 N ATOM 1320 CA MET A 83 -11.121 -4.468 -11.912 1.00 0.00 C ATOM 1321 C MET A 83 -11.431 -5.878 -12.414 1.00 0.00 C ATOM 1322 O MET A 83 -11.942 -6.050 -13.521 1.00 0.00 O ATOM 1323 CB MET A 83 -9.623 -4.194 -12.049 1.00 0.00 C ATOM 1324 CG MET A 83 -9.226 -2.771 -11.689 1.00 0.00 C ATOM 1325 SD MET A 83 -10.072 -1.538 -12.696 1.00 0.00 S ATOM 1326 CE MET A 83 -9.302 -0.033 -12.107 1.00 0.00 C ATOM 0 H MET A 83 -10.795 -4.398 -9.842 1.00 0.00 H new ATOM 0 HA MET A 83 -11.686 -3.764 -12.524 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.076 -4.887 -11.410 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.318 -4.398 -13.075 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.449 -2.591 -10.637 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.149 -2.657 -11.810 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.900 0.825 -12.413 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.236 -0.060 -11.019 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.301 0.053 -12.529 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.120 -6.884 -11.600 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.351 -8.276 -11.985 1.00 0.00 C ATOM 1338 C ASP A 84 -12.842 -8.602 -12.061 1.00 0.00 C ATOM 1339 O ASP A 84 -13.239 -9.580 -12.695 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.653 -9.222 -11.008 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.147 -9.059 -9.586 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -10.823 -8.028 -8.958 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -11.856 -9.962 -9.098 1.00 0.00 O ATOM 0 H ASP A 84 -10.709 -6.764 -10.674 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.929 -8.416 -12.980 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.813 -10.252 -11.328 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.578 -9.042 -11.038 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.662 -7.780 -11.414 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.099 -7.996 -11.436 1.00 0.00 C ATOM 1350 C GLY A 85 -15.556 -9.063 -10.457 1.00 0.00 C ATOM 1351 O GLY A 85 -16.246 -10.008 -10.839 1.00 0.00 O ATOM 0 H GLY A 85 -13.359 -6.969 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.605 -7.059 -11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.402 -8.282 -12.443 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.178 -8.911 -9.191 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.566 -9.868 -8.159 1.00 0.00 C ATOM 1357 C ASP A 86 -16.590 -9.255 -7.210 1.00 0.00 C ATOM 1358 O ASP A 86 -16.961 -9.862 -6.205 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.342 -10.342 -7.372 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.702 -9.230 -6.563 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -14.105 -9.040 -5.397 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -12.799 -8.553 -7.094 1.00 0.00 O ATOM 0 H ASP A 86 -14.605 -8.137 -8.855 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.019 -10.728 -8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.636 -11.150 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.607 -10.753 -8.064 1.00 0.00 H new ATOM 1367 N GLY A 87 -17.044 -8.047 -7.537 1.00 0.00 N ATOM 1368 CA GLY A 87 -18.023 -7.369 -6.706 1.00 0.00 C ATOM 1369 C GLY A 87 -17.404 -6.704 -5.491 1.00 0.00 C ATOM 1370 O GLY A 87 -18.009 -5.820 -4.886 1.00 0.00 O ATOM 0 H GLY A 87 -16.751 -7.526 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.540 -6.617 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.774 -8.088 -6.378 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.194 -7.127 -5.135 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.497 -6.568 -3.982 1.00 0.00 C ATOM 1376 C GLN A 88 -14.134 -6.008 -4.383 1.00 0.00 C ATOM 1377 O GLN A 88 -13.617 -6.311 -5.459 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.337 -7.635 -2.897 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.664 -8.182 -2.390 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.490 -9.267 -1.347 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.428 -8.989 -0.149 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -16.413 -10.514 -1.797 1.00 0.00 N ATOM 0 H GLN A 88 -15.677 -7.855 -5.628 1.00 0.00 H new ATOM 0 HA GLN A 88 -16.094 -5.747 -3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.740 -8.457 -3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.783 -7.211 -2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.250 -7.367 -1.966 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.233 -8.580 -3.230 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.469 -10.699 -2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.298 -11.287 -1.141 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.559 -5.186 -3.509 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.260 -4.572 -3.771 1.00 0.00 C ATOM 1393 C VAL A 89 -11.122 -5.392 -3.171 1.00 0.00 C ATOM 1394 O VAL A 89 -11.195 -5.830 -2.022 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.198 -3.140 -3.206 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.885 -2.469 -3.579 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.383 -2.323 -3.699 1.00 0.00 C ATOM 0 H VAL A 89 -13.972 -4.929 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.141 -4.539 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.249 -3.197 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.863 -1.459 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.054 -3.044 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.796 -2.422 -4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.324 -1.314 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.365 -2.276 -4.788 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.310 -2.793 -3.372 1.00 0.00 H new ATOM 1407 N ASP A 90 -10.070 -5.593 -3.962 1.00 0.00 N ATOM 1408 CA ASP A 90 -8.909 -6.358 -3.517 1.00 0.00 C ATOM 1409 C ASP A 90 -7.846 -5.444 -2.916 1.00 0.00 C ATOM 1410 O ASP A 90 -7.710 -4.284 -3.307 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.313 -7.143 -4.688 1.00 0.00 C ATOM 1412 CG ASP A 90 -9.287 -8.151 -5.265 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -9.355 -9.280 -4.736 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -9.982 -7.811 -6.247 1.00 0.00 O ATOM 0 H ASP A 90 -9.998 -5.236 -4.915 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.241 -7.054 -2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.008 -6.448 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.414 -7.661 -4.354 1.00 0.00 H new ATOM 1419 N PHE A 91 -7.097 -5.981 -1.957 1.00 0.00 N ATOM 1420 CA PHE A 91 -6.036 -5.239 -1.283 1.00 0.00 C ATOM 1421 C PHE A 91 -4.954 -4.779 -2.260 1.00 0.00 C ATOM 1422 O PHE A 91 -4.258 -3.798 -2.004 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.419 -6.111 -0.184 1.00 0.00 C ATOM 1424 CG PHE A 91 -4.269 -5.473 0.547 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -4.415 -4.243 1.168 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -3.041 -6.113 0.617 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -3.360 -3.663 1.846 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.982 -5.539 1.293 1.00 0.00 C ATOM 1429 CZ PHE A 91 -2.141 -4.313 1.910 1.00 0.00 C ATOM 0 H PHE A 91 -7.208 -6.939 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.477 -4.346 -0.841 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.195 -6.367 0.538 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.077 -7.046 -0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.365 -3.731 1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.911 -7.072 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.487 -2.704 2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.031 -6.048 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.315 -3.863 2.441 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.816 -5.488 -3.376 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.810 -5.144 -4.380 1.00 0.00 C ATOM 1441 C GLU A 92 -4.233 -3.921 -5.189 1.00 0.00 C ATOM 1442 O GLU A 92 -3.462 -2.977 -5.356 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.565 -6.329 -5.317 1.00 0.00 C ATOM 1444 CG GLU A 92 -3.097 -7.585 -4.601 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.827 -8.733 -5.554 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -3.786 -9.453 -5.903 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -1.657 -8.913 -5.950 1.00 0.00 O ATOM 0 H GLU A 92 -5.385 -6.302 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.885 -4.905 -3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.485 -6.551 -5.857 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.820 -6.046 -6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.189 -7.362 -4.040 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.853 -7.889 -3.877 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.453 -3.949 -5.705 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.976 -2.839 -6.491 1.00 0.00 C ATOM 1456 C GLU A 93 -5.947 -1.537 -5.690 1.00 0.00 C ATOM 1457 O GLU A 93 -5.909 -0.444 -6.259 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.407 -3.143 -6.934 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.562 -4.503 -7.598 1.00 0.00 C ATOM 1460 CD GLU A 93 -9.013 -4.888 -7.806 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.808 -4.740 -6.856 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.355 -5.337 -8.921 1.00 0.00 O ATOM 0 H GLU A 93 -6.101 -4.729 -5.594 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.342 -2.715 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.065 -3.094 -6.067 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.736 -2.369 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.051 -4.494 -8.561 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.073 -5.260 -6.985 1.00 0.00 H new ATOM 1469 N PHE A 94 -5.945 -1.661 -4.365 1.00 0.00 N ATOM 1470 CA PHE A 94 -5.944 -0.496 -3.487 1.00 0.00 C ATOM 1471 C PHE A 94 -4.528 -0.011 -3.178 1.00 0.00 C ATOM 1472 O PHE A 94 -4.251 1.187 -3.246 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.684 -0.823 -2.186 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.771 0.334 -1.229 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.248 1.566 -1.648 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.372 0.188 0.090 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.328 2.630 -0.769 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.449 1.248 0.974 1.00 0.00 C ATOM 1479 CZ PHE A 94 -6.928 2.470 0.544 1.00 0.00 C ATOM 0 H PHE A 94 -5.944 -2.557 -3.877 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.458 0.311 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.692 -1.159 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.181 -1.654 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.561 1.696 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.996 -0.765 0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.702 3.585 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.135 1.121 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.990 3.299 1.233 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.637 -0.938 -2.834 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.257 -0.583 -2.503 1.00 0.00 C ATOM 1491 C VAL A 95 -1.584 0.197 -3.628 1.00 0.00 C ATOM 1492 O VAL A 95 -0.750 1.066 -3.373 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.400 -1.823 -2.182 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -1.762 -2.385 -0.820 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -1.549 -2.879 -3.259 1.00 0.00 C ATOM 0 H VAL A 95 -3.843 -1.935 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.320 0.047 -1.615 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.355 -1.516 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.146 -3.260 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.587 -1.628 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.814 -2.672 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.934 -3.743 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.593 -3.184 -3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.227 -2.470 -4.217 1.00 0.00 H new ATOM 1505 N THR A 96 -1.944 -0.113 -4.869 1.00 0.00 N ATOM 1506 CA THR A 96 -1.356 0.559 -6.021 1.00 0.00 C ATOM 1507 C THR A 96 -1.918 1.966 -6.203 1.00 0.00 C ATOM 1508 O THR A 96 -1.166 2.919 -6.415 1.00 0.00 O ATOM 1509 CB THR A 96 -1.589 -0.245 -7.314 1.00 0.00 C ATOM 1510 OG1 THR A 96 -1.110 -1.585 -7.150 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.885 0.406 -8.496 1.00 0.00 C ATOM 0 H THR A 96 -2.638 -0.823 -5.102 1.00 0.00 H new ATOM 0 HA THR A 96 -0.286 0.630 -5.826 1.00 0.00 H new ATOM 0 HB THR A 96 -2.660 -0.261 -7.514 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.759 -2.103 -6.629 1.00 0.00 H new ATOM 0 HG21 THR A 96 -1.066 -0.182 -9.396 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.271 1.415 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.187 0.451 -8.301 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.239 2.093 -6.119 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.894 3.387 -6.287 1.00 0.00 C ATOM 1521 C LEU A 97 -3.365 4.421 -5.295 1.00 0.00 C ATOM 1522 O LEU A 97 -3.513 5.625 -5.507 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.409 3.240 -6.134 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.101 2.479 -7.267 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.570 2.260 -6.942 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -5.951 3.227 -8.584 1.00 0.00 C ATOM 0 H LEU A 97 -3.876 1.318 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.667 3.742 -7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.617 2.730 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.850 4.234 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.622 1.505 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.046 1.717 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.657 1.681 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.061 3.224 -6.812 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.450 2.670 -9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.403 4.215 -8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.893 3.332 -8.824 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.750 3.951 -4.214 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.204 4.848 -3.200 1.00 0.00 C ATOM 1540 C LEU A 98 -0.679 4.812 -3.205 1.00 0.00 C ATOM 1541 O LEU A 98 -0.027 5.681 -2.626 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.738 4.476 -1.815 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.301 3.107 -1.291 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -1.024 3.228 -0.474 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -3.410 2.477 -0.464 1.00 0.00 C ATOM 0 H LEU A 98 -2.617 2.959 -4.018 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.523 5.863 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.418 5.238 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.827 4.505 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.098 2.460 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.730 2.243 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.230 3.636 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.196 3.891 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.083 1.503 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.644 3.122 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.299 2.353 -1.082 1.00 0.00 H new ATOM 1557 N GLY A 99 -0.116 3.801 -3.861 1.00 0.00 N ATOM 1558 CA GLY A 99 1.328 3.668 -3.928 1.00 0.00 C ATOM 1559 C GLY A 99 1.883 4.069 -5.286 1.00 0.00 C ATOM 1560 O GLY A 99 1.776 3.303 -6.244 1.00 0.00 O ATOM 0 H GLY A 99 -0.635 3.071 -4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.784 4.287 -3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.606 2.636 -3.715 1.00 0.00 H new ATOM 1564 N PRO A 100 2.484 5.270 -5.404 1.00 0.00 N ATOM 1565 CA PRO A 100 3.048 5.747 -6.672 1.00 0.00 C ATOM 1566 C PRO A 100 4.126 4.812 -7.211 1.00 0.00 C ATOM 1567 O PRO A 100 5.292 4.945 -6.785 1.00 0.00 O ATOM 1568 CB PRO A 100 3.651 7.112 -6.315 1.00 0.00 C ATOM 1569 CG PRO A 100 2.958 7.524 -5.063 1.00 0.00 C ATOM 1570 CD PRO A 100 2.661 6.254 -4.321 1.00 0.00 C ATOM 1571 OXT PRO A 100 3.793 3.953 -8.054 1.00 0.00 O ATOM 0 HA PRO A 100 2.293 5.798 -7.457 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.728 7.040 -6.165 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.488 7.836 -7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.587 8.186 -4.468 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.041 8.070 -5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.477 5.977 -3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.764 6.345 -3.708 1.00 0.00 H new TER 1579 PRO A 100 HETATM 1580 CA CA A 201 -16.632 -8.678 3.502 1.00 0.00 CA HETATM 1581 CA CA A 202 -11.594 -6.135 -7.404 1.00 0.00 CA