USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=15 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 NoAdj-H: A 50 ASNHD21 : A 50 ASN ND2 : A 201 CACA :(H bumps) USER MOD Set 1.1: A 54 SER OG : rot 37:sc= 0.622 USER MOD Set 1.2: A 88 GLN : amide:sc= -1.22! C(o=-0.6!,f=-2.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= -1.6 (180deg=-4.9!) USER MOD Single : A 4 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.1) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -155:sc= -0.257 (180deg=-0.955) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc=-0.00357 F(o=-1,f=-0.0036) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= -0.659 (180deg=-1.53!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.061) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -156:sc= -0.169 (180deg=-0.783) USER MOD Single : A 64 SER OG : rot 180:sc= 0 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 : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 79 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.63) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -34.553 15.131 11.456 1.00 0.00 N ATOM 2 CA MET A 1 -35.367 16.349 11.707 1.00 0.00 C ATOM 3 C MET A 1 -35.516 17.203 10.440 1.00 0.00 C ATOM 4 O MET A 1 -36.637 17.541 10.059 1.00 0.00 O ATOM 5 CB MET A 1 -34.751 17.179 12.840 1.00 0.00 C ATOM 6 CG MET A 1 -34.731 16.455 14.177 1.00 0.00 C ATOM 7 SD MET A 1 -33.941 17.419 15.479 1.00 0.00 S ATOM 8 CE MET A 1 -34.083 16.293 16.865 1.00 0.00 C ATOM 0 H1 MET A 1 -34.998 14.314 11.920 1.00 0.00 H new ATOM 0 H2 MET A 1 -34.494 14.958 10.432 1.00 0.00 H new ATOM 0 H3 MET A 1 -33.596 15.268 11.840 1.00 0.00 H new ATOM 0 HA MET A 1 -36.364 16.024 12.006 1.00 0.00 H new ATOM 0 HB2 MET A 1 -33.731 17.452 12.568 1.00 0.00 H new ATOM 0 HB3 MET A 1 -35.312 18.108 12.946 1.00 0.00 H new ATOM 0 HG2 MET A 1 -35.753 16.221 14.474 1.00 0.00 H new ATOM 0 HG3 MET A 1 -34.206 15.506 14.064 1.00 0.00 H new ATOM 0 HE1 MET A 1 -33.638 16.747 17.750 1.00 0.00 H new ATOM 0 HE2 MET A 1 -35.135 16.082 17.056 1.00 0.00 H new ATOM 0 HE3 MET A 1 -33.563 15.364 16.634 1.00 0.00 H new ATOM 20 N PRO A 2 -34.403 17.569 9.763 1.00 0.00 N ATOM 21 CA PRO A 2 -34.466 18.382 8.545 1.00 0.00 C ATOM 22 C PRO A 2 -34.845 17.559 7.318 1.00 0.00 C ATOM 23 O PRO A 2 -34.372 16.436 7.142 1.00 0.00 O ATOM 24 CB PRO A 2 -33.040 18.910 8.412 1.00 0.00 C ATOM 25 CG PRO A 2 -32.193 17.842 9.009 1.00 0.00 C ATOM 26 CD PRO A 2 -33.007 17.231 10.121 1.00 0.00 C ATOM 0 HA PRO A 2 -35.225 19.162 8.608 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -32.778 19.089 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -32.916 19.856 8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -31.929 17.092 8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -31.259 18.254 9.391 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -32.859 16.153 10.179 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -32.732 17.644 11.092 1.00 0.00 H new ATOM 34 N PHE A 3 -35.701 18.124 6.471 1.00 0.00 N ATOM 35 CA PHE A 3 -36.141 17.440 5.260 1.00 0.00 C ATOM 36 C PHE A 3 -35.438 17.999 4.027 1.00 0.00 C ATOM 37 O PHE A 3 -35.664 17.537 2.909 1.00 0.00 O ATOM 38 CB PHE A 3 -37.658 17.563 5.097 1.00 0.00 C ATOM 39 CG PHE A 3 -38.436 16.897 6.195 1.00 0.00 C ATOM 40 CD1 PHE A 3 -38.482 15.516 6.288 1.00 0.00 C ATOM 41 CD2 PHE A 3 -39.117 17.652 7.136 1.00 0.00 C ATOM 42 CE1 PHE A 3 -39.194 14.898 7.299 1.00 0.00 C ATOM 43 CE2 PHE A 3 -39.831 17.041 8.149 1.00 0.00 C ATOM 44 CZ PHE A 3 -39.870 15.662 8.231 1.00 0.00 C ATOM 0 H PHE A 3 -36.103 19.052 6.601 1.00 0.00 H new ATOM 0 HA PHE A 3 -35.878 16.387 5.357 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -37.927 18.619 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -37.949 17.127 4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -37.955 14.915 5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -39.090 18.730 7.077 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -39.222 13.820 7.360 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -40.358 17.641 8.876 1.00 0.00 H new ATOM 0 HZ PHE A 3 -40.428 15.182 9.022 1.00 0.00 H new ATOM 54 N HIS A 4 -34.585 18.996 4.240 1.00 0.00 N ATOM 55 CA HIS A 4 -33.848 19.615 3.144 1.00 0.00 C ATOM 56 C HIS A 4 -32.486 18.942 2.962 1.00 0.00 C ATOM 57 O HIS A 4 -31.891 18.466 3.929 1.00 0.00 O ATOM 58 CB HIS A 4 -33.663 21.113 3.403 1.00 0.00 C ATOM 59 CG HIS A 4 -32.862 21.422 4.631 1.00 0.00 C ATOM 60 ND1 HIS A 4 -33.436 21.718 5.850 1.00 0.00 N ATOM 61 CD2 HIS A 4 -31.523 21.488 4.822 1.00 0.00 C ATOM 62 CE1 HIS A 4 -32.485 21.956 6.736 1.00 0.00 C ATOM 63 NE2 HIS A 4 -31.316 21.820 6.138 1.00 0.00 N ATOM 0 H HIS A 4 -34.387 19.392 5.159 1.00 0.00 H new ATOM 0 HA HIS A 4 -34.425 19.485 2.229 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -33.174 21.563 2.539 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -34.644 21.580 3.494 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -30.760 21.312 4.078 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -32.638 22.217 7.773 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -30.406 21.942 6.582 1.00 0.00 H new ATOM 72 N PRO A 5 -31.976 18.892 1.716 1.00 0.00 N ATOM 73 CA PRO A 5 -30.681 18.270 1.422 1.00 0.00 C ATOM 74 C PRO A 5 -29.512 19.063 1.996 1.00 0.00 C ATOM 75 O PRO A 5 -29.203 20.158 1.526 1.00 0.00 O ATOM 76 CB PRO A 5 -30.624 18.268 -0.109 1.00 0.00 C ATOM 77 CG PRO A 5 -31.519 19.384 -0.524 1.00 0.00 C ATOM 78 CD PRO A 5 -32.617 19.434 0.502 1.00 0.00 C ATOM 0 HA PRO A 5 -30.598 17.278 1.866 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -29.606 18.423 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -30.964 17.316 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -30.975 20.328 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -31.924 19.210 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -32.976 20.451 0.657 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -33.477 18.836 0.200 1.00 0.00 H new ATOM 86 N VAL A 6 -28.866 18.502 3.014 1.00 0.00 N ATOM 87 CA VAL A 6 -27.729 19.156 3.653 1.00 0.00 C ATOM 88 C VAL A 6 -26.601 18.161 3.916 1.00 0.00 C ATOM 89 O VAL A 6 -25.438 18.546 4.038 1.00 0.00 O ATOM 90 CB VAL A 6 -28.137 19.825 4.981 1.00 0.00 C ATOM 91 CG1 VAL A 6 -28.565 18.781 6.001 1.00 0.00 C ATOM 92 CG2 VAL A 6 -27.000 20.679 5.524 1.00 0.00 C ATOM 0 H VAL A 6 -29.111 17.596 3.414 1.00 0.00 H new ATOM 0 HA VAL A 6 -27.377 19.925 2.965 1.00 0.00 H new ATOM 0 HB VAL A 6 -28.989 20.477 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -28.849 19.275 6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -29.416 18.221 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -27.737 18.098 6.191 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -27.308 21.142 6.461 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -26.126 20.052 5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -26.751 21.455 4.801 1.00 0.00 H new ATOM 102 N THR A 7 -26.958 16.880 3.998 1.00 0.00 N ATOM 103 CA THR A 7 -25.988 15.817 4.246 1.00 0.00 C ATOM 104 C THR A 7 -25.322 15.982 5.611 1.00 0.00 C ATOM 105 O THR A 7 -25.736 15.362 6.590 1.00 0.00 O ATOM 106 CB THR A 7 -24.903 15.769 3.150 1.00 0.00 C ATOM 107 OG1 THR A 7 -25.515 15.641 1.862 1.00 0.00 O ATOM 108 CG2 THR A 7 -23.951 14.603 3.379 1.00 0.00 C ATOM 0 H THR A 7 -27.919 16.553 3.895 1.00 0.00 H new ATOM 0 HA THR A 7 -26.542 14.878 4.230 1.00 0.00 H new ATOM 0 HB THR A 7 -24.334 16.697 3.194 1.00 0.00 H new ATOM 0 HG1 THR A 7 -24.820 15.613 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 7 -23.195 14.591 2.593 1.00 0.00 H new ATOM 0 HG22 THR A 7 -23.465 14.715 4.348 1.00 0.00 H new ATOM 0 HG23 THR A 7 -24.510 13.668 3.359 1.00 0.00 H new ATOM 116 N ALA A 8 -24.289 16.818 5.668 1.00 0.00 N ATOM 117 CA ALA A 8 -23.568 17.063 6.913 1.00 0.00 C ATOM 118 C ALA A 8 -23.713 18.517 7.352 1.00 0.00 C ATOM 119 O ALA A 8 -23.952 19.403 6.531 1.00 0.00 O ATOM 120 CB ALA A 8 -22.099 16.705 6.751 1.00 0.00 C ATOM 0 H ALA A 8 -23.932 17.337 4.866 1.00 0.00 H new ATOM 0 HA ALA A 8 -24.002 16.430 7.687 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -21.573 16.893 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -22.008 15.651 6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -21.661 17.314 5.961 1.00 0.00 H new ATOM 126 N ALA A 9 -23.566 18.752 8.653 1.00 0.00 N ATOM 127 CA ALA A 9 -23.680 20.097 9.205 1.00 0.00 C ATOM 128 C ALA A 9 -22.421 20.911 8.924 1.00 0.00 C ATOM 129 O ALA A 9 -22.388 22.120 9.151 1.00 0.00 O ATOM 130 CB ALA A 9 -23.951 20.036 10.700 1.00 0.00 C ATOM 0 H ALA A 9 -23.368 18.028 9.344 1.00 0.00 H new ATOM 0 HA ALA A 9 -24.520 20.593 8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -24.033 21.048 11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -24.883 19.499 10.879 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -23.132 19.517 11.197 1.00 0.00 H new ATOM 136 N LEU A 10 -21.386 20.232 8.433 1.00 0.00 N ATOM 137 CA LEU A 10 -20.116 20.878 8.113 1.00 0.00 C ATOM 138 C LEU A 10 -19.548 21.609 9.326 1.00 0.00 C ATOM 139 O LEU A 10 -20.033 21.449 10.446 1.00 0.00 O ATOM 140 CB LEU A 10 -20.299 21.858 6.950 1.00 0.00 C ATOM 141 CG LEU A 10 -20.862 21.247 5.664 1.00 0.00 C ATOM 142 CD1 LEU A 10 -21.068 22.322 4.609 1.00 0.00 C ATOM 143 CD2 LEU A 10 -19.939 20.156 5.139 1.00 0.00 C ATOM 0 H LEU A 10 -21.403 19.229 8.248 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.408 20.102 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -20.963 22.660 7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -19.335 22.314 6.725 1.00 0.00 H new ATOM 0 HG LEU A 10 -21.828 20.798 5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -21.469 21.870 3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -21.769 23.069 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -20.114 22.800 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.357 19.735 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -18.958 20.580 4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.841 19.371 5.889 1.00 0.00 H new ATOM 155 N MET A 11 -18.509 22.407 9.093 1.00 0.00 N ATOM 156 CA MET A 11 -17.871 23.168 10.161 1.00 0.00 C ATOM 157 C MET A 11 -17.044 24.317 9.589 1.00 0.00 C ATOM 158 O MET A 11 -16.931 24.464 8.373 1.00 0.00 O ATOM 159 CB MET A 11 -16.981 22.259 11.014 1.00 0.00 C ATOM 160 CG MET A 11 -15.886 21.557 10.226 1.00 0.00 C ATOM 161 SD MET A 11 -16.509 20.191 9.225 1.00 0.00 S ATOM 162 CE MET A 11 -17.120 19.090 10.499 1.00 0.00 C ATOM 0 H MET A 11 -18.091 22.543 8.172 1.00 0.00 H new ATOM 0 HA MET A 11 -18.657 23.584 10.792 1.00 0.00 H new ATOM 0 HB2 MET A 11 -16.523 22.853 11.805 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.604 21.508 11.500 1.00 0.00 H new ATOM 0 HG2 MET A 11 -15.391 22.280 9.578 1.00 0.00 H new ATOM 0 HG3 MET A 11 -15.132 21.180 10.917 1.00 0.00 H new ATOM 0 HE1 MET A 11 -17.122 18.066 10.125 1.00 0.00 H new ATOM 0 HE2 MET A 11 -16.476 19.155 11.376 1.00 0.00 H new ATOM 0 HE3 MET A 11 -18.135 19.378 10.773 1.00 0.00 H new ATOM 172 N TYR A 12 -16.470 25.127 10.472 1.00 0.00 N ATOM 173 CA TYR A 12 -15.658 26.262 10.047 1.00 0.00 C ATOM 174 C TYR A 12 -14.368 25.796 9.378 1.00 0.00 C ATOM 175 O TYR A 12 -14.120 26.097 8.210 1.00 0.00 O ATOM 176 CB TYR A 12 -15.330 27.158 11.244 1.00 0.00 C ATOM 177 CG TYR A 12 -16.548 27.800 11.871 1.00 0.00 C ATOM 178 CD1 TYR A 12 -17.064 28.989 11.371 1.00 0.00 C ATOM 179 CD2 TYR A 12 -17.181 27.218 12.963 1.00 0.00 C ATOM 180 CE1 TYR A 12 -18.176 29.580 11.940 1.00 0.00 C ATOM 181 CE2 TYR A 12 -18.294 27.802 13.537 1.00 0.00 C ATOM 182 CZ TYR A 12 -18.786 28.983 13.023 1.00 0.00 C ATOM 183 OH TYR A 12 -19.894 29.569 13.592 1.00 0.00 O ATOM 0 H TYR A 12 -16.551 25.020 11.483 1.00 0.00 H new ATOM 0 HA TYR A 12 -16.235 26.833 9.319 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -14.812 26.566 11.999 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.641 27.940 10.924 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -16.588 29.459 10.523 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -16.797 26.294 13.370 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -18.565 30.504 11.539 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -18.776 27.336 14.384 1.00 0.00 H new ATOM 0 HH TYR A 12 -20.204 29.022 14.344 1.00 0.00 H new ATOM 193 N ARG A 13 -13.553 25.057 10.125 1.00 0.00 N ATOM 194 CA ARG A 13 -12.285 24.554 9.604 1.00 0.00 C ATOM 195 C ARG A 13 -12.488 23.258 8.825 1.00 0.00 C ATOM 196 O ARG A 13 -13.615 22.894 8.490 1.00 0.00 O ATOM 197 CB ARG A 13 -11.297 24.323 10.749 1.00 0.00 C ATOM 198 CG ARG A 13 -11.005 25.573 11.564 1.00 0.00 C ATOM 199 CD ARG A 13 -10.047 25.281 12.707 1.00 0.00 C ATOM 200 NE ARG A 13 -10.550 24.227 13.584 1.00 0.00 N ATOM 201 CZ ARG A 13 -10.028 23.945 14.774 1.00 0.00 C ATOM 202 NH1 ARG A 13 -8.994 24.639 15.232 1.00 0.00 N ATOM 203 NH2 ARG A 13 -10.544 22.970 15.509 1.00 0.00 N ATOM 0 H ARG A 13 -13.747 24.793 11.091 1.00 0.00 H new ATOM 0 HA ARG A 13 -11.879 25.303 8.925 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.694 23.553 11.410 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.362 23.940 10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.578 26.339 10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.937 25.975 11.962 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.079 24.985 12.303 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.886 26.190 13.287 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.347 23.676 13.266 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.596 25.392 14.671 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.597 24.419 16.145 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.341 22.437 15.162 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.144 22.753 16.422 1.00 0.00 H new ATOM 217 N GLY A 14 -11.387 22.569 8.537 1.00 0.00 N ATOM 218 CA GLY A 14 -11.463 21.319 7.804 1.00 0.00 C ATOM 219 C GLY A 14 -11.206 20.116 8.689 1.00 0.00 C ATOM 220 O GLY A 14 -11.640 20.082 9.842 1.00 0.00 O ATOM 0 H GLY A 14 -10.444 22.855 8.799 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.449 21.227 7.348 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.736 21.332 6.992 1.00 0.00 H new ATOM 224 N ILE A 15 -10.498 19.127 8.149 1.00 0.00 N ATOM 225 CA ILE A 15 -10.182 17.915 8.897 1.00 0.00 C ATOM 226 C ILE A 15 -9.166 17.055 8.144 1.00 0.00 C ATOM 227 O ILE A 15 -9.377 16.696 6.984 1.00 0.00 O ATOM 228 CB ILE A 15 -11.454 17.085 9.184 1.00 0.00 C ATOM 229 CG1 ILE A 15 -11.134 15.909 10.109 1.00 0.00 C ATOM 230 CG2 ILE A 15 -12.078 16.591 7.888 1.00 0.00 C ATOM 231 CD1 ILE A 15 -10.753 16.328 11.513 1.00 0.00 C ATOM 0 H ILE A 15 -10.133 19.142 7.197 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.747 18.226 9.847 1.00 0.00 H new ATOM 0 HB ILE A 15 -12.175 17.730 9.686 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.001 15.250 10.158 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.318 15.330 9.678 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -12.972 16.009 8.113 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -12.348 17.444 7.266 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.362 15.965 7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.540 15.442 12.112 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.867 16.962 11.476 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.577 16.881 11.964 1.00 0.00 H new ATOM 243 N TYR A 16 -8.056 16.745 8.808 1.00 0.00 N ATOM 244 CA TYR A 16 -7.003 15.923 8.212 1.00 0.00 C ATOM 245 C TYR A 16 -6.606 16.442 6.830 1.00 0.00 C ATOM 246 O TYR A 16 -6.815 17.613 6.512 1.00 0.00 O ATOM 247 CB TYR A 16 -7.459 14.465 8.116 1.00 0.00 C ATOM 248 CG TYR A 16 -7.453 13.735 9.442 1.00 0.00 C ATOM 249 CD1 TYR A 16 -8.093 14.267 10.554 1.00 0.00 C ATOM 250 CD2 TYR A 16 -6.803 12.514 9.582 1.00 0.00 C ATOM 251 CE1 TYR A 16 -8.088 13.606 11.766 1.00 0.00 C ATOM 252 CE2 TYR A 16 -6.794 11.846 10.792 1.00 0.00 C ATOM 253 CZ TYR A 16 -7.438 12.396 11.881 1.00 0.00 C ATOM 254 OH TYR A 16 -7.430 11.734 13.087 1.00 0.00 O ATOM 0 H TYR A 16 -7.861 17.051 9.761 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.127 15.982 8.858 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.466 14.436 7.700 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.810 13.936 7.418 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.604 15.215 10.469 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.297 12.081 8.732 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -8.591 14.035 12.620 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.285 10.898 10.884 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.930 10.896 12.997 1.00 0.00 H new ATOM 264 N THR A 17 -6.023 15.559 6.019 1.00 0.00 N ATOM 265 CA THR A 17 -5.592 15.910 4.668 1.00 0.00 C ATOM 266 C THR A 17 -4.473 16.946 4.693 1.00 0.00 C ATOM 267 O THR A 17 -4.728 18.150 4.734 1.00 0.00 O ATOM 268 CB THR A 17 -6.763 16.447 3.821 1.00 0.00 C ATOM 269 OG1 THR A 17 -7.836 15.498 3.810 1.00 0.00 O ATOM 270 CG2 THR A 17 -6.315 16.726 2.394 1.00 0.00 C ATOM 0 H THR A 17 -5.838 14.590 6.278 1.00 0.00 H new ATOM 0 HA THR A 17 -5.218 14.993 4.212 1.00 0.00 H new ATOM 0 HB THR A 17 -7.107 17.380 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.576 15.848 3.271 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.158 17.104 1.815 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.518 17.469 2.402 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.948 15.805 1.941 1.00 0.00 H new ATOM 278 N VAL A 18 -3.232 16.467 4.669 1.00 0.00 N ATOM 279 CA VAL A 18 -2.070 17.348 4.683 1.00 0.00 C ATOM 280 C VAL A 18 -1.670 17.745 3.260 1.00 0.00 C ATOM 281 O VAL A 18 -1.493 16.885 2.397 1.00 0.00 O ATOM 282 CB VAL A 18 -0.871 16.680 5.384 1.00 0.00 C ATOM 283 CG1 VAL A 18 -1.110 16.608 6.885 1.00 0.00 C ATOM 284 CG2 VAL A 18 -0.619 15.293 4.814 1.00 0.00 C ATOM 0 H VAL A 18 -3.006 15.473 4.640 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.349 18.243 5.240 1.00 0.00 H new ATOM 0 HB VAL A 18 0.016 17.287 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.255 16.134 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.238 17.615 7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.008 16.023 7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.232 14.839 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.503 14.673 4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.405 15.371 3.748 1.00 0.00 H new ATOM 294 N PRO A 19 -1.523 19.060 2.992 1.00 0.00 N ATOM 295 CA PRO A 19 -1.159 19.558 1.664 1.00 0.00 C ATOM 296 C PRO A 19 0.343 19.501 1.389 1.00 0.00 C ATOM 297 O PRO A 19 0.774 18.938 0.384 1.00 0.00 O ATOM 298 CB PRO A 19 -1.644 21.005 1.704 1.00 0.00 C ATOM 299 CG PRO A 19 -1.505 21.411 3.131 1.00 0.00 C ATOM 300 CD PRO A 19 -1.708 20.164 3.957 1.00 0.00 C ATOM 0 HA PRO A 19 -1.599 18.956 0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.046 21.641 1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.678 21.086 1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.522 21.843 3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.241 22.172 3.391 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.988 20.105 4.773 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.701 20.140 4.405 1.00 0.00 H new ATOM 308 N ASN A 20 1.135 20.089 2.281 1.00 0.00 N ATOM 309 CA ASN A 20 2.586 20.110 2.115 1.00 0.00 C ATOM 310 C ASN A 20 3.269 19.118 3.052 1.00 0.00 C ATOM 311 O ASN A 20 3.176 19.236 4.273 1.00 0.00 O ATOM 312 CB ASN A 20 3.127 21.519 2.368 1.00 0.00 C ATOM 313 CG ASN A 20 2.551 22.545 1.409 1.00 0.00 C ATOM 314 OD1 ASN A 20 2.260 22.117 0.185 1.00 0.00 O flip ATOM 315 ND2 ASN A 20 2.374 23.710 1.763 1.00 0.00 N flip ATOM 0 H ASN A 20 0.799 20.556 3.123 1.00 0.00 H new ATOM 0 HA ASN A 20 2.807 19.816 1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.897 21.814 3.392 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.213 21.510 2.275 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.611 23.996 2.713 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.990 24.390 1.107 1.00 0.00 H new ATOM 322 N LEU A 21 3.957 18.137 2.468 1.00 0.00 N ATOM 323 CA LEU A 21 4.665 17.128 3.248 1.00 0.00 C ATOM 324 C LEU A 21 5.841 16.551 2.464 1.00 0.00 C ATOM 325 O LEU A 21 6.523 15.639 2.931 1.00 0.00 O ATOM 326 CB LEU A 21 3.717 16.002 3.707 1.00 0.00 C ATOM 327 CG LEU A 21 2.767 15.415 2.649 1.00 0.00 C ATOM 328 CD1 LEU A 21 1.678 16.409 2.282 1.00 0.00 C ATOM 329 CD2 LEU A 21 3.531 14.979 1.408 1.00 0.00 C ATOM 0 H LEU A 21 4.038 18.022 1.458 1.00 0.00 H new ATOM 0 HA LEU A 21 5.056 17.622 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.324 15.189 4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.113 16.382 4.531 1.00 0.00 H new ATOM 0 HG LEU A 21 2.293 14.535 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.021 15.968 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.099 16.659 3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.132 17.314 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.834 14.568 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.045 15.838 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.262 14.218 1.680 1.00 0.00 H new ATOM 341 N LEU A 22 6.070 17.090 1.268 1.00 0.00 N ATOM 342 CA LEU A 22 7.161 16.629 0.415 1.00 0.00 C ATOM 343 C LEU A 22 8.499 17.195 0.882 1.00 0.00 C ATOM 344 O LEU A 22 9.546 16.575 0.694 1.00 0.00 O ATOM 345 CB LEU A 22 6.908 17.024 -1.045 1.00 0.00 C ATOM 346 CG LEU A 22 7.111 18.508 -1.375 1.00 0.00 C ATOM 347 CD1 LEU A 22 7.125 18.719 -2.880 1.00 0.00 C ATOM 348 CD2 LEU A 22 6.026 19.359 -0.731 1.00 0.00 C ATOM 0 H LEU A 22 5.514 17.846 0.869 1.00 0.00 H new ATOM 0 HA LEU A 22 7.202 15.542 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.568 16.435 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.886 16.749 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 22 8.074 18.818 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.270 19.777 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.939 18.143 -3.321 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.176 18.388 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.191 20.408 -0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.050 19.047 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.059 19.233 0.351 1.00 0.00 H new ATOM 360 N SER A 23 8.455 18.377 1.489 1.00 0.00 N ATOM 361 CA SER A 23 9.663 19.029 1.980 1.00 0.00 C ATOM 362 C SER A 23 10.265 18.260 3.153 1.00 0.00 C ATOM 363 O SER A 23 11.379 18.552 3.591 1.00 0.00 O ATOM 364 CB SER A 23 9.355 20.468 2.401 1.00 0.00 C ATOM 365 OG SER A 23 8.392 20.500 3.440 1.00 0.00 O ATOM 0 H SER A 23 7.596 18.902 1.652 1.00 0.00 H new ATOM 0 HA SER A 23 10.392 19.042 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.271 20.957 2.734 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.988 21.031 1.543 1.00 0.00 H new ATOM 0 HG SER A 23 8.214 21.430 3.692 1.00 0.00 H new ATOM 371 N GLU A 24 9.524 17.277 3.655 1.00 0.00 N ATOM 372 CA GLU A 24 9.986 16.468 4.778 1.00 0.00 C ATOM 373 C GLU A 24 10.144 15.006 4.371 1.00 0.00 C ATOM 374 O GLU A 24 11.026 14.306 4.867 1.00 0.00 O ATOM 375 CB GLU A 24 9.011 16.577 5.952 1.00 0.00 C ATOM 376 CG GLU A 24 8.770 18.005 6.413 1.00 0.00 C ATOM 377 CD GLU A 24 7.785 18.088 7.563 1.00 0.00 C ATOM 378 OE1 GLU A 24 6.574 17.903 7.321 1.00 0.00 O ATOM 379 OE2 GLU A 24 8.225 18.337 8.705 1.00 0.00 O ATOM 0 H GLU A 24 8.602 17.021 3.302 1.00 0.00 H new ATOM 0 HA GLU A 24 10.960 16.849 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.059 16.131 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.396 15.994 6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.717 18.449 6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.396 18.595 5.576 1.00 0.00 H new ATOM 386 N GLN A 25 9.284 14.552 3.463 1.00 0.00 N ATOM 387 CA GLN A 25 9.329 13.171 2.991 1.00 0.00 C ATOM 388 C GLN A 25 8.688 13.040 1.613 1.00 0.00 C ATOM 389 O GLN A 25 7.574 13.513 1.386 1.00 0.00 O ATOM 390 CB GLN A 25 8.622 12.248 3.987 1.00 0.00 C ATOM 391 CG GLN A 25 8.417 10.834 3.468 1.00 0.00 C ATOM 392 CD GLN A 25 7.871 9.896 4.527 1.00 0.00 C ATOM 393 OE1 GLN A 25 8.630 9.258 5.258 1.00 0.00 O ATOM 394 NE2 GLN A 25 6.550 9.805 4.614 1.00 0.00 N ATOM 0 H GLN A 25 8.549 15.119 3.040 1.00 0.00 H new ATOM 0 HA GLN A 25 10.375 12.876 2.910 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.204 12.207 4.908 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.653 12.677 4.241 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.731 10.858 2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.366 10.446 3.099 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.959 10.352 3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.126 9.188 5.307 1.00 0.00 H new ATOM 403 N ARG A 26 9.400 12.388 0.698 1.00 0.00 N ATOM 404 CA ARG A 26 8.905 12.185 -0.659 1.00 0.00 C ATOM 405 C ARG A 26 8.214 10.827 -0.787 1.00 0.00 C ATOM 406 O ARG A 26 8.518 9.898 -0.037 1.00 0.00 O ATOM 407 CB ARG A 26 10.056 12.283 -1.661 1.00 0.00 C ATOM 408 CG ARG A 26 10.767 13.627 -1.646 1.00 0.00 C ATOM 409 CD ARG A 26 11.861 13.688 -2.698 1.00 0.00 C ATOM 410 NE ARG A 26 11.335 13.493 -4.047 1.00 0.00 N ATOM 411 CZ ARG A 26 12.032 12.955 -5.043 1.00 0.00 C ATOM 412 NH1 ARG A 26 13.280 12.551 -4.844 1.00 0.00 N ATOM 413 NH2 ARG A 26 11.482 12.819 -6.241 1.00 0.00 N ATOM 0 H ARG A 26 10.323 11.991 0.873 1.00 0.00 H new ATOM 0 HA ARG A 26 8.176 12.965 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 26 10.780 11.497 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.670 12.097 -2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.045 14.424 -1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.198 13.801 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.365 14.653 -2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.610 12.924 -2.487 1.00 0.00 H new ATOM 0 HE ARG A 26 10.377 13.787 -4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.708 12.653 -3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 26 13.811 12.139 -5.611 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.523 13.127 -6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.018 12.406 -7.004 1.00 0.00 H new ATOM 427 N PRO A 27 7.273 10.691 -1.744 1.00 0.00 N ATOM 428 CA PRO A 27 6.534 9.440 -1.964 1.00 0.00 C ATOM 429 C PRO A 27 7.407 8.330 -2.542 1.00 0.00 C ATOM 430 O PRO A 27 6.903 7.277 -2.932 1.00 0.00 O ATOM 431 CB PRO A 27 5.438 9.827 -2.970 1.00 0.00 C ATOM 432 CG PRO A 27 5.442 11.319 -3.016 1.00 0.00 C ATOM 433 CD PRO A 27 6.842 11.740 -2.679 1.00 0.00 C ATOM 0 HA PRO A 27 6.149 9.041 -1.025 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.642 9.404 -3.954 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.466 9.447 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.153 11.680 -4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.728 11.733 -2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.477 11.781 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.869 12.729 -2.221 1.00 0.00 H new ATOM 441 N VAL A 28 8.713 8.569 -2.601 1.00 0.00 N ATOM 442 CA VAL A 28 9.647 7.583 -3.133 1.00 0.00 C ATOM 443 C VAL A 28 10.210 6.701 -2.021 1.00 0.00 C ATOM 444 O VAL A 28 10.600 7.192 -0.962 1.00 0.00 O ATOM 445 CB VAL A 28 10.813 8.256 -3.883 1.00 0.00 C ATOM 446 CG1 VAL A 28 10.312 8.931 -5.150 1.00 0.00 C ATOM 447 CG2 VAL A 28 11.521 9.259 -2.984 1.00 0.00 C ATOM 0 H VAL A 28 9.148 9.436 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 28 9.086 6.965 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 28 11.531 7.486 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.149 9.401 -5.667 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.854 8.187 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.573 9.689 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.341 9.723 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.815 10.027 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.915 8.746 -2.107 1.00 0.00 H new ATOM 457 N ASP A 29 10.243 5.394 -2.273 1.00 0.00 N ATOM 458 CA ASP A 29 10.756 4.433 -1.301 1.00 0.00 C ATOM 459 C ASP A 29 10.033 4.564 0.036 1.00 0.00 C ATOM 460 O ASP A 29 10.514 5.233 0.950 1.00 0.00 O ATOM 461 CB ASP A 29 12.259 4.628 -1.101 1.00 0.00 C ATOM 462 CG ASP A 29 13.037 4.502 -2.397 1.00 0.00 C ATOM 463 OD1 ASP A 29 13.430 3.369 -2.745 1.00 0.00 O ATOM 464 OD2 ASP A 29 13.254 5.536 -3.062 1.00 0.00 O ATOM 0 H ASP A 29 9.919 4.976 -3.145 1.00 0.00 H new ATOM 0 HA ASP A 29 10.575 3.432 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.440 5.611 -0.666 1.00 0.00 H new ATOM 0 HB3 ASP A 29 12.626 3.891 -0.387 1.00 0.00 H new ATOM 469 N ILE A 30 8.876 3.916 0.145 1.00 0.00 N ATOM 470 CA ILE A 30 8.092 3.960 1.373 1.00 0.00 C ATOM 471 C ILE A 30 8.375 2.736 2.246 1.00 0.00 C ATOM 472 O ILE A 30 8.331 1.603 1.764 1.00 0.00 O ATOM 473 CB ILE A 30 6.578 4.026 1.078 1.00 0.00 C ATOM 474 CG1 ILE A 30 6.232 5.300 0.298 1.00 0.00 C ATOM 475 CG2 ILE A 30 5.778 3.958 2.371 1.00 0.00 C ATOM 476 CD1 ILE A 30 6.594 6.581 1.021 1.00 0.00 C ATOM 0 H ILE A 30 8.463 3.356 -0.601 1.00 0.00 H new ATOM 0 HA ILE A 30 8.388 4.864 1.905 1.00 0.00 H new ATOM 0 HB ILE A 30 6.313 3.166 0.463 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.748 5.278 -0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.163 5.305 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 30 4.713 4.006 2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.997 3.022 2.886 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.050 4.797 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.318 7.437 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.057 6.628 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.667 6.601 1.210 1.00 0.00 H new ATOM 488 N PRO A 31 8.670 2.945 3.543 1.00 0.00 N ATOM 489 CA PRO A 31 8.951 1.846 4.469 1.00 0.00 C ATOM 490 C PRO A 31 7.691 1.075 4.844 1.00 0.00 C ATOM 491 O PRO A 31 6.597 1.637 4.889 1.00 0.00 O ATOM 492 CB PRO A 31 9.525 2.558 5.696 1.00 0.00 C ATOM 493 CG PRO A 31 8.911 3.913 5.662 1.00 0.00 C ATOM 494 CD PRO A 31 8.755 4.262 4.207 1.00 0.00 C ATOM 0 HA PRO A 31 9.623 1.105 4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 31 9.272 2.030 6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.613 2.614 5.650 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.946 3.917 6.170 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.543 4.640 6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.860 4.859 4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.602 4.842 3.840 1.00 0.00 H new ATOM 502 N GLU A 32 7.858 -0.220 5.098 1.00 0.00 N ATOM 503 CA GLU A 32 6.746 -1.091 5.471 1.00 0.00 C ATOM 504 C GLU A 32 5.926 -0.500 6.619 1.00 0.00 C ATOM 505 O GLU A 32 4.790 -0.911 6.854 1.00 0.00 O ATOM 506 CB GLU A 32 7.278 -2.470 5.869 1.00 0.00 C ATOM 507 CG GLU A 32 6.188 -3.481 6.187 1.00 0.00 C ATOM 508 CD GLU A 32 6.744 -4.833 6.589 1.00 0.00 C ATOM 509 OE1 GLU A 32 6.970 -5.672 5.691 1.00 0.00 O ATOM 510 OE2 GLU A 32 6.956 -5.050 7.800 1.00 0.00 O ATOM 0 H GLU A 32 8.761 -0.693 5.052 1.00 0.00 H new ATOM 0 HA GLU A 32 6.090 -1.185 4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.895 -2.858 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.925 -2.362 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.564 -3.095 6.993 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.545 -3.602 5.316 1.00 0.00 H new ATOM 517 N ASP A 33 6.505 0.463 7.331 1.00 0.00 N ATOM 518 CA ASP A 33 5.824 1.103 8.452 1.00 0.00 C ATOM 519 C ASP A 33 4.548 1.811 8.001 1.00 0.00 C ATOM 520 O ASP A 33 3.542 1.803 8.711 1.00 0.00 O ATOM 521 CB ASP A 33 6.757 2.102 9.140 1.00 0.00 C ATOM 522 CG ASP A 33 8.011 1.443 9.679 1.00 0.00 C ATOM 523 OD1 ASP A 33 7.978 0.956 10.829 1.00 0.00 O ATOM 524 OD2 ASP A 33 9.025 1.411 8.951 1.00 0.00 O ATOM 0 H ASP A 33 7.444 0.817 7.151 1.00 0.00 H new ATOM 0 HA ASP A 33 5.546 0.322 9.159 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.035 2.882 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.225 2.588 9.958 1.00 0.00 H new ATOM 529 N GLU A 34 4.592 2.422 6.820 1.00 0.00 N ATOM 530 CA GLU A 34 3.449 3.131 6.284 1.00 0.00 C ATOM 531 C GLU A 34 2.497 2.165 5.576 1.00 0.00 C ATOM 532 O GLU A 34 1.304 2.440 5.442 1.00 0.00 O ATOM 533 CB GLU A 34 3.935 4.225 5.326 1.00 0.00 C ATOM 534 CG GLU A 34 2.938 4.571 4.245 1.00 0.00 C ATOM 535 CD GLU A 34 3.032 6.017 3.797 1.00 0.00 C ATOM 536 OE1 GLU A 34 2.343 6.870 4.396 1.00 0.00 O ATOM 537 OE2 GLU A 34 3.793 6.297 2.848 1.00 0.00 O ATOM 0 H GLU A 34 5.415 2.436 6.218 1.00 0.00 H new ATOM 0 HA GLU A 34 2.897 3.595 7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.162 5.124 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.865 3.901 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.099 3.919 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.930 4.374 4.610 1.00 0.00 H new ATOM 544 N LEU A 35 3.031 1.028 5.141 1.00 0.00 N ATOM 545 CA LEU A 35 2.226 0.026 4.452 1.00 0.00 C ATOM 546 C LEU A 35 1.254 -0.636 5.424 1.00 0.00 C ATOM 547 O LEU A 35 0.169 -1.071 5.037 1.00 0.00 O ATOM 548 CB LEU A 35 3.119 -1.037 3.808 1.00 0.00 C ATOM 549 CG LEU A 35 2.380 -2.055 2.934 1.00 0.00 C ATOM 550 CD1 LEU A 35 2.400 -1.625 1.477 1.00 0.00 C ATOM 551 CD2 LEU A 35 2.989 -3.439 3.095 1.00 0.00 C ATOM 0 H LEU A 35 4.014 0.778 5.253 1.00 0.00 H new ATOM 0 HA LEU A 35 1.659 0.528 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.873 -0.538 3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.648 -1.573 4.596 1.00 0.00 H new ATOM 0 HG LEU A 35 1.341 -2.098 3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.870 -2.361 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.913 -0.655 1.377 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.432 -1.549 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.451 -4.149 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.037 -3.412 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.916 -3.750 4.137 1.00 0.00 H new ATOM 563 N GLU A 36 1.655 -0.707 6.690 1.00 0.00 N ATOM 564 CA GLU A 36 0.829 -1.316 7.727 1.00 0.00 C ATOM 565 C GLU A 36 -0.448 -0.509 7.949 1.00 0.00 C ATOM 566 O GLU A 36 -1.481 -1.056 8.336 1.00 0.00 O ATOM 567 CB GLU A 36 1.617 -1.422 9.035 1.00 0.00 C ATOM 568 CG GLU A 36 0.853 -2.105 10.159 1.00 0.00 C ATOM 569 CD GLU A 36 0.516 -3.548 9.841 1.00 0.00 C ATOM 570 OE1 GLU A 36 1.365 -4.427 10.099 1.00 0.00 O ATOM 571 OE2 GLU A 36 -0.598 -3.801 9.334 1.00 0.00 O ATOM 0 H GLU A 36 2.550 -0.349 7.023 1.00 0.00 H new ATOM 0 HA GLU A 36 0.550 -2.317 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.539 -1.972 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.902 -0.421 9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.447 -2.067 11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.068 -1.555 10.354 1.00 0.00 H new ATOM 578 N GLU A 37 -0.369 0.796 7.698 1.00 0.00 N ATOM 579 CA GLU A 37 -1.516 1.682 7.869 1.00 0.00 C ATOM 580 C GLU A 37 -2.562 1.430 6.787 1.00 0.00 C ATOM 581 O GLU A 37 -3.741 1.735 6.966 1.00 0.00 O ATOM 582 CB GLU A 37 -1.061 3.144 7.834 1.00 0.00 C ATOM 583 CG GLU A 37 -2.188 4.144 8.044 1.00 0.00 C ATOM 584 CD GLU A 37 -1.696 5.578 8.060 1.00 0.00 C ATOM 585 OE1 GLU A 37 -1.596 6.183 6.972 1.00 0.00 O ATOM 586 OE2 GLU A 37 -1.412 6.096 9.160 1.00 0.00 O ATOM 0 H GLU A 37 0.479 1.263 7.375 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.970 1.474 8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.304 3.297 8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.585 3.344 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.927 4.026 7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.692 3.926 8.985 1.00 0.00 H new ATOM 593 N ILE A 38 -2.122 0.869 5.665 1.00 0.00 N ATOM 594 CA ILE A 38 -3.017 0.576 4.551 1.00 0.00 C ATOM 595 C ILE A 38 -4.042 -0.491 4.931 1.00 0.00 C ATOM 596 O ILE A 38 -5.246 -0.296 4.759 1.00 0.00 O ATOM 597 CB ILE A 38 -2.233 0.102 3.312 1.00 0.00 C ATOM 598 CG1 ILE A 38 -1.166 1.134 2.936 1.00 0.00 C ATOM 599 CG2 ILE A 38 -3.179 -0.143 2.143 1.00 0.00 C ATOM 600 CD1 ILE A 38 -0.228 0.668 1.845 1.00 0.00 C ATOM 0 H ILE A 38 -1.149 0.608 5.503 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.537 1.503 4.311 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.737 -0.839 3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.658 2.051 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.583 1.381 3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.608 -0.477 1.277 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.905 -0.909 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.702 0.781 1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.500 1.451 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.292 -0.232 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.799 0.449 0.943 1.00 0.00 H new ATOM 612 N ARG A 39 -3.557 -1.617 5.447 1.00 0.00 N ATOM 613 CA ARG A 39 -4.433 -2.713 5.846 1.00 0.00 C ATOM 614 C ARG A 39 -5.387 -2.283 6.951 1.00 0.00 C ATOM 615 O ARG A 39 -6.582 -2.159 6.721 1.00 0.00 O ATOM 616 CB ARG A 39 -3.613 -3.913 6.323 1.00 0.00 C ATOM 617 CG ARG A 39 -2.740 -4.528 5.243 1.00 0.00 C ATOM 618 CD ARG A 39 -1.287 -4.109 5.397 1.00 0.00 C ATOM 619 NE ARG A 39 -0.416 -4.793 4.445 1.00 0.00 N ATOM 620 CZ ARG A 39 0.600 -5.573 4.804 1.00 0.00 C ATOM 621 NH1 ARG A 39 0.866 -5.777 6.087 1.00 0.00 N ATOM 622 NH2 ARG A 39 1.349 -6.156 3.878 1.00 0.00 N ATOM 0 H ARG A 39 -2.564 -1.794 5.598 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.017 -2.999 4.971 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.981 -3.602 7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.291 -4.675 6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.813 -5.615 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.105 -4.225 4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.204 -3.031 5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.954 -4.324 6.412 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.597 -4.666 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.290 -5.335 6.804 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.646 -6.376 6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.146 -6.006 2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.128 -6.754 4.154 1.00 0.00 H new ATOM 636 N GLU A 40 -4.844 -2.030 8.137 1.00 0.00 N ATOM 637 CA GLU A 40 -5.643 -1.634 9.299 1.00 0.00 C ATOM 638 C GLU A 40 -6.785 -0.686 8.922 1.00 0.00 C ATOM 639 O GLU A 40 -7.827 -0.676 9.571 1.00 0.00 O ATOM 640 CB GLU A 40 -4.742 -0.976 10.348 1.00 0.00 C ATOM 641 CG GLU A 40 -5.403 -0.791 11.707 1.00 0.00 C ATOM 642 CD GLU A 40 -6.311 0.423 11.764 1.00 0.00 C ATOM 643 OE1 GLU A 40 -5.811 1.550 11.564 1.00 0.00 O ATOM 644 OE2 GLU A 40 -7.522 0.247 12.013 1.00 0.00 O ATOM 0 H GLU A 40 -3.843 -2.092 8.323 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.093 -2.537 9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.844 -1.582 10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.421 -0.003 9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.982 -1.683 11.948 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.631 -0.697 12.471 1.00 0.00 H new ATOM 651 N ALA A 41 -6.596 0.090 7.861 1.00 0.00 N ATOM 652 CA ALA A 41 -7.613 1.041 7.421 1.00 0.00 C ATOM 653 C ALA A 41 -8.854 0.347 6.851 1.00 0.00 C ATOM 654 O ALA A 41 -9.878 0.223 7.526 1.00 0.00 O ATOM 655 CB ALA A 41 -7.025 1.994 6.390 1.00 0.00 C ATOM 0 H ALA A 41 -5.751 0.080 7.290 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.933 1.602 8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.791 2.699 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.192 2.540 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.670 1.426 5.530 1.00 0.00 H new ATOM 661 N PHE A 42 -8.754 -0.111 5.607 1.00 0.00 N ATOM 662 CA PHE A 42 -9.875 -0.757 4.931 1.00 0.00 C ATOM 663 C PHE A 42 -10.116 -2.183 5.422 1.00 0.00 C ATOM 664 O PHE A 42 -11.204 -2.731 5.243 1.00 0.00 O ATOM 665 CB PHE A 42 -9.637 -0.746 3.418 1.00 0.00 C ATOM 666 CG PHE A 42 -10.054 0.538 2.751 1.00 0.00 C ATOM 667 CD1 PHE A 42 -9.779 1.767 3.335 1.00 0.00 C ATOM 668 CD2 PHE A 42 -10.725 0.515 1.539 1.00 0.00 C ATOM 669 CE1 PHE A 42 -10.169 2.944 2.726 1.00 0.00 C ATOM 670 CE2 PHE A 42 -11.115 1.690 0.924 1.00 0.00 C ATOM 671 CZ PHE A 42 -10.838 2.905 1.518 1.00 0.00 C ATOM 0 H PHE A 42 -7.905 -0.047 5.045 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.774 -0.189 5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.578 -0.919 3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -10.183 -1.574 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.253 1.803 4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.946 -0.432 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.951 3.893 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.636 1.657 -0.021 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.144 3.823 1.039 1.00 0.00 H new ATOM 681 N LYS A 43 -9.108 -2.780 6.044 1.00 0.00 N ATOM 682 CA LYS A 43 -9.224 -4.146 6.548 1.00 0.00 C ATOM 683 C LYS A 43 -10.222 -4.227 7.701 1.00 0.00 C ATOM 684 O LYS A 43 -10.999 -5.178 7.791 1.00 0.00 O ATOM 685 CB LYS A 43 -7.860 -4.676 7.001 1.00 0.00 C ATOM 686 CG LYS A 43 -7.661 -6.157 6.732 1.00 0.00 C ATOM 687 CD LYS A 43 -6.711 -6.388 5.565 1.00 0.00 C ATOM 688 CE LYS A 43 -7.257 -5.803 4.270 1.00 0.00 C ATOM 689 NZ LYS A 43 -8.595 -6.362 3.929 1.00 0.00 N ATOM 0 H LYS A 43 -8.202 -2.343 6.212 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.590 -4.767 5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.075 -4.115 6.494 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.745 -4.491 8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.266 -6.641 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.623 -6.622 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.744 -5.938 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.543 -7.458 5.439 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.329 -4.719 4.363 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.560 -6.007 3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.564 -6.780 2.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.852 -7.095 4.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.305 -5.602 3.951 1.00 0.00 H new ATOM 703 N VAL A 44 -10.204 -3.228 8.585 1.00 0.00 N ATOM 704 CA VAL A 44 -11.116 -3.216 9.724 1.00 0.00 C ATOM 705 C VAL A 44 -12.551 -2.933 9.289 1.00 0.00 C ATOM 706 O VAL A 44 -13.493 -3.495 9.847 1.00 0.00 O ATOM 707 CB VAL A 44 -10.699 -2.190 10.797 1.00 0.00 C ATOM 708 CG1 VAL A 44 -9.323 -2.527 11.349 1.00 0.00 C ATOM 709 CG2 VAL A 44 -10.729 -0.777 10.238 1.00 0.00 C ATOM 0 H VAL A 44 -9.575 -2.427 8.534 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.063 -4.213 10.162 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.417 -2.240 11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.044 -1.793 12.105 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.344 -3.520 11.798 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.592 -2.510 10.540 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -10.431 -0.072 11.014 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.039 -0.704 9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.738 -0.540 9.901 1.00 0.00 H new ATOM 719 N PHE A 45 -12.721 -2.062 8.292 1.00 0.00 N ATOM 720 CA PHE A 45 -14.060 -1.737 7.802 1.00 0.00 C ATOM 721 C PHE A 45 -14.769 -2.993 7.306 1.00 0.00 C ATOM 722 O PHE A 45 -15.993 -3.014 7.168 1.00 0.00 O ATOM 723 CB PHE A 45 -14.004 -0.685 6.688 1.00 0.00 C ATOM 724 CG PHE A 45 -13.490 0.654 7.145 1.00 0.00 C ATOM 725 CD1 PHE A 45 -14.017 1.270 8.271 1.00 0.00 C ATOM 726 CD2 PHE A 45 -12.481 1.296 6.447 1.00 0.00 C ATOM 727 CE1 PHE A 45 -13.546 2.499 8.689 1.00 0.00 C ATOM 728 CE2 PHE A 45 -12.006 2.527 6.860 1.00 0.00 C ATOM 729 CZ PHE A 45 -12.539 3.128 7.984 1.00 0.00 C ATOM 0 H PHE A 45 -11.961 -1.576 7.815 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.626 -1.319 8.635 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.367 -1.054 5.884 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -15.003 -0.558 6.270 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -14.804 0.783 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -12.060 0.829 5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.965 2.968 9.567 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.220 3.018 6.305 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.169 4.088 8.311 1.00 0.00 H new ATOM 739 N ASP A 46 -13.992 -4.039 7.042 1.00 0.00 N ATOM 740 CA ASP A 46 -14.544 -5.305 6.575 1.00 0.00 C ATOM 741 C ASP A 46 -15.226 -6.037 7.727 1.00 0.00 C ATOM 742 O ASP A 46 -14.566 -6.671 8.551 1.00 0.00 O ATOM 743 CB ASP A 46 -13.437 -6.178 5.976 1.00 0.00 C ATOM 744 CG ASP A 46 -13.981 -7.293 5.107 1.00 0.00 C ATOM 745 OD1 ASP A 46 -15.011 -7.892 5.483 1.00 0.00 O ATOM 746 OD2 ASP A 46 -13.377 -7.571 4.050 1.00 0.00 O ATOM 0 H ASP A 46 -12.977 -4.034 7.144 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.284 -5.100 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -12.768 -5.554 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -12.842 -6.608 6.782 1.00 0.00 H new ATOM 751 N ARG A 47 -16.550 -5.943 7.779 1.00 0.00 N ATOM 752 CA ARG A 47 -17.325 -6.579 8.840 1.00 0.00 C ATOM 753 C ARG A 47 -17.265 -8.103 8.752 1.00 0.00 C ATOM 754 O ARG A 47 -17.207 -8.787 9.775 1.00 0.00 O ATOM 755 CB ARG A 47 -18.780 -6.110 8.782 1.00 0.00 C ATOM 756 CG ARG A 47 -18.930 -4.597 8.795 1.00 0.00 C ATOM 757 CD ARG A 47 -20.370 -4.182 9.048 1.00 0.00 C ATOM 758 NE ARG A 47 -21.284 -4.724 8.046 1.00 0.00 N ATOM 759 CZ ARG A 47 -22.575 -4.412 7.979 1.00 0.00 C ATOM 760 NH1 ARG A 47 -23.101 -3.559 8.849 1.00 0.00 N ATOM 761 NH2 ARG A 47 -23.341 -4.952 7.041 1.00 0.00 N ATOM 0 H ARG A 47 -17.111 -5.432 7.098 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.884 -6.283 9.792 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.245 -6.506 7.879 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -19.322 -6.528 9.630 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.287 -4.173 9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.595 -4.189 7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -20.676 -4.521 10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -20.438 -3.094 9.049 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.911 -5.379 7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -22.515 -3.141 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -24.092 -3.322 8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -22.940 -5.607 6.370 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -24.331 -4.712 6.990 1.00 0.00 H new ATOM 775 N ASP A 48 -17.282 -8.631 7.532 1.00 0.00 N ATOM 776 CA ASP A 48 -17.236 -10.078 7.329 1.00 0.00 C ATOM 777 C ASP A 48 -15.821 -10.619 7.507 1.00 0.00 C ATOM 778 O ASP A 48 -15.623 -11.823 7.674 1.00 0.00 O ATOM 779 CB ASP A 48 -17.755 -10.433 5.934 1.00 0.00 C ATOM 780 CG ASP A 48 -19.147 -9.891 5.680 1.00 0.00 C ATOM 781 OD1 ASP A 48 -20.126 -10.586 6.025 1.00 0.00 O ATOM 782 OD2 ASP A 48 -19.256 -8.771 5.137 1.00 0.00 O ATOM 0 H ASP A 48 -17.327 -8.084 6.672 1.00 0.00 H new ATOM 0 HA ASP A 48 -17.875 -10.540 8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.071 -10.037 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -17.763 -11.517 5.817 1.00 0.00 H new ATOM 787 N GLY A 49 -14.841 -9.720 7.472 1.00 0.00 N ATOM 788 CA GLY A 49 -13.453 -10.116 7.639 1.00 0.00 C ATOM 789 C GLY A 49 -13.013 -11.179 6.650 1.00 0.00 C ATOM 790 O GLY A 49 -12.025 -11.876 6.883 1.00 0.00 O ATOM 0 H GLY A 49 -14.984 -8.720 7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.816 -9.239 7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.308 -10.489 8.653 1.00 0.00 H new ATOM 794 N ASN A 50 -13.740 -11.306 5.542 1.00 0.00 N ATOM 795 CA ASN A 50 -13.405 -12.295 4.522 1.00 0.00 C ATOM 796 C ASN A 50 -12.241 -11.819 3.658 1.00 0.00 C ATOM 797 O ASN A 50 -11.777 -12.540 2.774 1.00 0.00 O ATOM 798 CB ASN A 50 -14.622 -12.601 3.643 1.00 0.00 C ATOM 799 CG ASN A 50 -15.457 -11.370 3.344 1.00 0.00 C ATOM 800 OD1 ASN A 50 -16.673 -11.459 3.175 1.00 0.00 O ATOM 801 ND2 ASN A 50 -14.811 -10.212 3.274 1.00 0.00 N ATOM 0 H ASN A 50 -14.561 -10.739 5.329 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.103 -13.209 5.033 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -14.285 -13.042 2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.245 -13.345 4.139 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.802 -10.181 3.420 1.00 0.00 H new ATOM 808 N GLY A 51 -11.774 -10.602 3.919 1.00 0.00 N ATOM 809 CA GLY A 51 -10.662 -10.055 3.161 1.00 0.00 C ATOM 810 C GLY A 51 -11.110 -9.126 2.049 1.00 0.00 C ATOM 811 O GLY A 51 -10.330 -8.303 1.570 1.00 0.00 O ATOM 0 H GLY A 51 -12.145 -9.985 4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.999 -9.513 3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.082 -10.873 2.734 1.00 0.00 H new ATOM 815 N PHE A 52 -12.368 -9.257 1.637 1.00 0.00 N ATOM 816 CA PHE A 52 -12.912 -8.422 0.572 1.00 0.00 C ATOM 817 C PHE A 52 -13.985 -7.485 1.118 1.00 0.00 C ATOM 818 O PHE A 52 -14.889 -7.912 1.835 1.00 0.00 O ATOM 819 CB PHE A 52 -13.493 -9.292 -0.545 1.00 0.00 C ATOM 820 CG PHE A 52 -12.716 -10.555 -0.787 1.00 0.00 C ATOM 821 CD1 PHE A 52 -11.642 -10.566 -1.662 1.00 0.00 C ATOM 822 CD2 PHE A 52 -13.059 -11.728 -0.137 1.00 0.00 C ATOM 823 CE1 PHE A 52 -10.924 -11.727 -1.886 1.00 0.00 C ATOM 824 CE2 PHE A 52 -12.346 -12.891 -0.355 1.00 0.00 C ATOM 825 CZ PHE A 52 -11.277 -12.891 -1.231 1.00 0.00 C ATOM 0 H PHE A 52 -13.028 -9.932 2.024 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.101 -7.820 0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -14.522 -9.550 -0.295 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.525 -8.712 -1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.362 -9.658 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.894 -11.734 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.089 -11.723 -2.571 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.624 -13.799 0.159 1.00 0.00 H new ATOM 0 HZ PHE A 52 -10.719 -13.799 -1.403 1.00 0.00 H new ATOM 835 N ILE A 53 -13.881 -6.207 0.772 1.00 0.00 N ATOM 836 CA ILE A 53 -14.836 -5.210 1.236 1.00 0.00 C ATOM 837 C ILE A 53 -15.937 -4.970 0.206 1.00 0.00 C ATOM 838 O ILE A 53 -15.685 -4.443 -0.878 1.00 0.00 O ATOM 839 CB ILE A 53 -14.128 -3.878 1.550 1.00 0.00 C ATOM 840 CG1 ILE A 53 -13.019 -4.105 2.579 1.00 0.00 C ATOM 841 CG2 ILE A 53 -15.126 -2.848 2.061 1.00 0.00 C ATOM 842 CD1 ILE A 53 -11.773 -3.292 2.313 1.00 0.00 C ATOM 0 H ILE A 53 -13.144 -5.838 0.171 1.00 0.00 H new ATOM 0 HA ILE A 53 -15.291 -5.599 2.147 1.00 0.00 H new ATOM 0 HB ILE A 53 -13.683 -3.494 0.632 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.399 -3.859 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.757 -5.163 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.607 -1.914 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.888 -2.672 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.599 -3.219 2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.030 -3.503 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.369 -3.555 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.021 -2.231 2.330 1.00 0.00 H new ATOM 854 N SER A 54 -17.160 -5.363 0.557 1.00 0.00 N ATOM 855 CA SER A 54 -18.307 -5.193 -0.328 1.00 0.00 C ATOM 856 C SER A 54 -18.724 -3.729 -0.403 1.00 0.00 C ATOM 857 O SER A 54 -18.101 -2.871 0.219 1.00 0.00 O ATOM 858 CB SER A 54 -19.484 -6.041 0.160 1.00 0.00 C ATOM 859 OG SER A 54 -19.220 -7.423 -0.006 1.00 0.00 O ATOM 0 H SER A 54 -17.381 -5.802 1.451 1.00 0.00 H new ATOM 0 HA SER A 54 -18.015 -5.523 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.678 -5.828 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 54 -20.384 -5.771 -0.392 1.00 0.00 H new ATOM 0 HG SER A 54 -18.275 -7.600 0.183 1.00 0.00 H new ATOM 865 N LYS A 55 -19.774 -3.446 -1.168 1.00 0.00 N ATOM 866 CA LYS A 55 -20.265 -2.080 -1.313 1.00 0.00 C ATOM 867 C LYS A 55 -20.804 -1.548 0.013 1.00 0.00 C ATOM 868 O LYS A 55 -20.434 -0.460 0.452 1.00 0.00 O ATOM 869 CB LYS A 55 -21.362 -2.016 -2.382 1.00 0.00 C ATOM 870 CG LYS A 55 -20.874 -2.343 -3.787 1.00 0.00 C ATOM 871 CD LYS A 55 -20.845 -3.843 -4.046 1.00 0.00 C ATOM 872 CE LYS A 55 -22.245 -4.437 -4.073 1.00 0.00 C ATOM 873 NZ LYS A 55 -22.221 -5.909 -4.301 1.00 0.00 N ATOM 0 H LYS A 55 -20.300 -4.143 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.427 -1.455 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -22.158 -2.710 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -21.797 -1.017 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -21.524 -1.861 -4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -19.875 -1.931 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.348 -4.039 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.256 -4.335 -3.272 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.748 -4.224 -3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.827 -3.957 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.195 -6.274 -4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.764 -6.112 -5.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.687 -6.370 -3.537 1.00 0.00 H new ATOM 887 N GLN A 56 -21.679 -2.327 0.646 1.00 0.00 N ATOM 888 CA GLN A 56 -22.277 -1.936 1.920 1.00 0.00 C ATOM 889 C GLN A 56 -21.207 -1.676 2.974 1.00 0.00 C ATOM 890 O GLN A 56 -21.364 -0.803 3.828 1.00 0.00 O ATOM 891 CB GLN A 56 -23.237 -3.022 2.408 1.00 0.00 C ATOM 892 CG GLN A 56 -24.398 -3.278 1.461 1.00 0.00 C ATOM 893 CD GLN A 56 -25.253 -2.046 1.241 1.00 0.00 C ATOM 894 OE1 GLN A 56 -26.222 -1.812 1.964 1.00 0.00 O ATOM 895 NE2 GLN A 56 -24.900 -1.250 0.238 1.00 0.00 N ATOM 0 H GLN A 56 -21.990 -3.234 0.297 1.00 0.00 H new ATOM 0 HA GLN A 56 -22.831 -1.011 1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.682 -3.950 2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -23.631 -2.736 3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -24.011 -3.623 0.502 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -25.019 -4.080 1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -24.090 -1.482 -0.336 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -25.439 -0.407 0.042 1.00 0.00 H new ATOM 904 N GLU A 57 -20.120 -2.438 2.910 1.00 0.00 N ATOM 905 CA GLU A 57 -19.022 -2.289 3.857 1.00 0.00 C ATOM 906 C GLU A 57 -18.203 -1.042 3.537 1.00 0.00 C ATOM 907 O GLU A 57 -17.886 -0.243 4.422 1.00 0.00 O ATOM 908 CB GLU A 57 -18.129 -3.530 3.820 1.00 0.00 C ATOM 909 CG GLU A 57 -18.841 -4.803 4.247 1.00 0.00 C ATOM 910 CD GLU A 57 -17.961 -6.031 4.128 1.00 0.00 C ATOM 911 OE1 GLU A 57 -17.164 -6.283 5.056 1.00 0.00 O ATOM 912 OE2 GLU A 57 -18.068 -6.740 3.105 1.00 0.00 O ATOM 0 H GLU A 57 -19.976 -3.166 2.210 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.438 -2.180 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.744 -3.660 2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -17.269 -3.369 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.176 -4.699 5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.733 -4.939 3.635 1.00 0.00 H new ATOM 919 N LEU A 58 -17.861 -0.888 2.265 1.00 0.00 N ATOM 920 CA LEU A 58 -17.086 0.258 1.811 1.00 0.00 C ATOM 921 C LEU A 58 -17.837 1.553 2.113 1.00 0.00 C ATOM 922 O LEU A 58 -17.232 2.606 2.308 1.00 0.00 O ATOM 923 CB LEU A 58 -16.810 0.132 0.306 1.00 0.00 C ATOM 924 CG LEU A 58 -15.600 0.908 -0.234 1.00 0.00 C ATOM 925 CD1 LEU A 58 -15.912 2.391 -0.356 1.00 0.00 C ATOM 926 CD2 LEU A 58 -14.378 0.689 0.646 1.00 0.00 C ATOM 0 H LEU A 58 -18.110 -1.546 1.526 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.134 0.282 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.671 -0.923 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.697 0.464 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 58 -15.377 0.526 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.038 2.916 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.750 2.532 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.173 2.790 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.534 1.249 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.592 1.033 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.131 -0.373 0.669 1.00 0.00 H new ATOM 938 N GLY A 59 -19.164 1.458 2.166 1.00 0.00 N ATOM 939 CA GLY A 59 -19.981 2.623 2.451 1.00 0.00 C ATOM 940 C GLY A 59 -19.704 3.180 3.832 1.00 0.00 C ATOM 941 O GLY A 59 -20.008 4.339 4.118 1.00 0.00 O ATOM 0 H GLY A 59 -19.686 0.595 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -19.790 3.393 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.035 2.356 2.371 1.00 0.00 H new ATOM 945 N THR A 60 -19.124 2.345 4.689 1.00 0.00 N ATOM 946 CA THR A 60 -18.786 2.746 6.046 1.00 0.00 C ATOM 947 C THR A 60 -17.436 3.451 6.065 1.00 0.00 C ATOM 948 O THR A 60 -17.196 4.342 6.880 1.00 0.00 O ATOM 949 CB THR A 60 -18.740 1.532 6.995 1.00 0.00 C ATOM 950 OG1 THR A 60 -20.005 0.861 6.992 1.00 0.00 O ATOM 951 CG2 THR A 60 -18.394 1.960 8.414 1.00 0.00 C ATOM 0 H THR A 60 -18.878 1.381 4.463 1.00 0.00 H new ATOM 0 HA THR A 60 -19.563 3.428 6.392 1.00 0.00 H new ATOM 0 HB THR A 60 -17.965 0.854 6.639 1.00 0.00 H new ATOM 0 HG1 THR A 60 -19.968 0.090 7.596 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.368 1.084 9.062 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.418 2.445 8.420 1.00 0.00 H new ATOM 0 HG23 THR A 60 -19.148 2.658 8.777 1.00 0.00 H new ATOM 959 N ALA A 61 -16.557 3.041 5.156 1.00 0.00 N ATOM 960 CA ALA A 61 -15.229 3.633 5.051 1.00 0.00 C ATOM 961 C ALA A 61 -15.310 5.092 4.608 1.00 0.00 C ATOM 962 O ALA A 61 -14.698 5.971 5.214 1.00 0.00 O ATOM 963 CB ALA A 61 -14.374 2.835 4.079 1.00 0.00 C ATOM 0 H ALA A 61 -16.742 2.299 4.480 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.767 3.605 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.385 3.287 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.280 1.809 4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.844 2.836 3.095 1.00 0.00 H new ATOM 969 N MET A 62 -16.069 5.337 3.544 1.00 0.00 N ATOM 970 CA MET A 62 -16.233 6.685 3.007 1.00 0.00 C ATOM 971 C MET A 62 -16.847 7.630 4.039 1.00 0.00 C ATOM 972 O MET A 62 -16.306 8.702 4.309 1.00 0.00 O ATOM 973 CB MET A 62 -17.108 6.648 1.753 1.00 0.00 C ATOM 974 CG MET A 62 -16.517 5.822 0.621 1.00 0.00 C ATOM 975 SD MET A 62 -15.078 6.604 -0.133 1.00 0.00 S ATOM 976 CE MET A 62 -15.821 8.071 -0.843 1.00 0.00 C ATOM 0 H MET A 62 -16.582 4.617 3.035 1.00 0.00 H new ATOM 0 HA MET A 62 -15.243 7.063 2.751 1.00 0.00 H new ATOM 0 HB2 MET A 62 -18.086 6.243 2.014 1.00 0.00 H new ATOM 0 HB3 MET A 62 -17.268 7.667 1.402 1.00 0.00 H new ATOM 0 HG2 MET A 62 -16.234 4.841 1.002 1.00 0.00 H new ATOM 0 HG3 MET A 62 -17.279 5.660 -0.142 1.00 0.00 H new ATOM 0 HE1 MET A 62 -15.206 8.426 -1.670 1.00 0.00 H new ATOM 0 HE2 MET A 62 -16.819 7.832 -1.210 1.00 0.00 H new ATOM 0 HE3 MET A 62 -15.890 8.848 -0.082 1.00 0.00 H new ATOM 986 N ARG A 63 -17.979 7.228 4.613 1.00 0.00 N ATOM 987 CA ARG A 63 -18.668 8.051 5.606 1.00 0.00 C ATOM 988 C ARG A 63 -17.768 8.344 6.804 1.00 0.00 C ATOM 989 O ARG A 63 -17.912 9.377 7.458 1.00 0.00 O ATOM 990 CB ARG A 63 -19.953 7.366 6.074 1.00 0.00 C ATOM 991 CG ARG A 63 -19.714 6.073 6.836 1.00 0.00 C ATOM 992 CD ARG A 63 -21.015 5.490 7.365 1.00 0.00 C ATOM 993 NE ARG A 63 -21.702 6.414 8.263 1.00 0.00 N ATOM 994 CZ ARG A 63 -22.927 6.208 8.740 1.00 0.00 C ATOM 995 NH1 ARG A 63 -23.599 5.116 8.400 1.00 0.00 N ATOM 996 NH2 ARG A 63 -23.481 7.093 9.557 1.00 0.00 N ATOM 0 H ARG A 63 -18.438 6.340 4.409 1.00 0.00 H new ATOM 0 HA ARG A 63 -18.923 8.998 5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -20.510 8.054 6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -20.579 7.156 5.207 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -19.229 5.348 6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -19.033 6.259 7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.669 5.244 6.528 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -20.807 4.559 7.892 1.00 0.00 H new ATOM 0 HE ARG A 63 -21.215 7.266 8.541 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -23.177 4.432 7.772 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.538 4.960 8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.968 7.934 9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -24.420 6.933 9.921 1.00 0.00 H new ATOM 1010 N SER A 64 -16.848 7.428 7.091 1.00 0.00 N ATOM 1011 CA SER A 64 -15.925 7.598 8.210 1.00 0.00 C ATOM 1012 C SER A 64 -15.157 8.909 8.083 1.00 0.00 C ATOM 1013 O SER A 64 -14.912 9.595 9.076 1.00 0.00 O ATOM 1014 CB SER A 64 -14.947 6.424 8.279 1.00 0.00 C ATOM 1015 OG SER A 64 -14.063 6.560 9.379 1.00 0.00 O ATOM 0 H SER A 64 -16.721 6.563 6.566 1.00 0.00 H new ATOM 0 HA SER A 64 -16.509 7.626 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.501 5.490 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.375 6.369 7.353 1.00 0.00 H new ATOM 0 HG SER A 64 -13.449 5.796 9.402 1.00 0.00 H new ATOM 1021 N LEU A 65 -14.778 9.250 6.856 1.00 0.00 N ATOM 1022 CA LEU A 65 -14.040 10.479 6.594 1.00 0.00 C ATOM 1023 C LEU A 65 -14.972 11.688 6.617 1.00 0.00 C ATOM 1024 O LEU A 65 -14.524 12.828 6.748 1.00 0.00 O ATOM 1025 CB LEU A 65 -13.334 10.392 5.239 1.00 0.00 C ATOM 1026 CG LEU A 65 -12.597 9.076 4.972 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -12.005 9.071 3.572 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.510 8.849 6.013 1.00 0.00 C ATOM 0 H LEU A 65 -14.971 8.690 6.025 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.294 10.602 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.073 10.543 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.619 11.212 5.166 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.316 8.260 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.485 8.128 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.804 9.184 2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.301 9.897 3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.998 7.909 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.793 9.669 5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.960 8.806 7.005 1.00 0.00 H new ATOM 1040 N GLY A 66 -16.269 11.428 6.488 1.00 0.00 N ATOM 1041 CA GLY A 66 -17.247 12.500 6.494 1.00 0.00 C ATOM 1042 C GLY A 66 -17.996 12.606 5.180 1.00 0.00 C ATOM 1043 O GLY A 66 -18.663 13.607 4.917 1.00 0.00 O ATOM 0 H GLY A 66 -16.661 10.492 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.959 12.334 7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.745 13.445 6.700 1.00 0.00 H new ATOM 1047 N TYR A 67 -17.886 11.570 4.354 1.00 0.00 N ATOM 1048 CA TYR A 67 -18.555 11.546 3.058 1.00 0.00 C ATOM 1049 C TYR A 67 -19.543 10.386 2.979 1.00 0.00 C ATOM 1050 O TYR A 67 -19.183 9.282 2.573 1.00 0.00 O ATOM 1051 CB TYR A 67 -17.527 11.429 1.931 1.00 0.00 C ATOM 1052 CG TYR A 67 -16.442 12.481 1.988 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -16.612 13.718 1.380 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -15.246 12.234 2.651 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -15.621 14.679 1.431 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -14.251 13.190 2.707 1.00 0.00 C ATOM 1057 CZ TYR A 67 -14.442 14.410 2.096 1.00 0.00 C ATOM 1058 OH TYR A 67 -13.452 15.365 2.149 1.00 0.00 O ATOM 0 H TYR A 67 -17.339 10.734 4.560 1.00 0.00 H new ATOM 0 HA TYR A 67 -19.105 12.480 2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -17.067 10.442 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -18.041 11.501 0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -17.534 13.932 0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -15.092 11.279 3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.768 15.636 0.953 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -13.328 12.982 3.227 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.689 15.017 2.655 1.00 0.00 H new ATOM 1068 N MET A 68 -20.788 10.644 3.366 1.00 0.00 N ATOM 1069 CA MET A 68 -21.827 9.621 3.340 1.00 0.00 C ATOM 1070 C MET A 68 -22.242 9.303 1.901 1.00 0.00 C ATOM 1071 O MET A 68 -22.837 10.143 1.226 1.00 0.00 O ATOM 1072 CB MET A 68 -23.042 10.085 4.150 1.00 0.00 C ATOM 1073 CG MET A 68 -24.105 9.012 4.338 1.00 0.00 C ATOM 1074 SD MET A 68 -25.121 8.765 2.868 1.00 0.00 S ATOM 1075 CE MET A 68 -26.214 7.460 3.427 1.00 0.00 C ATOM 0 H MET A 68 -21.102 11.554 3.702 1.00 0.00 H new ATOM 0 HA MET A 68 -21.426 8.712 3.789 1.00 0.00 H new ATOM 0 HB2 MET A 68 -22.705 10.424 5.130 1.00 0.00 H new ATOM 0 HB3 MET A 68 -23.491 10.944 3.652 1.00 0.00 H new ATOM 0 HG2 MET A 68 -23.622 8.071 4.602 1.00 0.00 H new ATOM 0 HG3 MET A 68 -24.747 9.286 5.175 1.00 0.00 H new ATOM 0 HE1 MET A 68 -26.905 7.196 2.626 1.00 0.00 H new ATOM 0 HE2 MET A 68 -25.625 6.585 3.702 1.00 0.00 H new ATOM 0 HE3 MET A 68 -26.778 7.804 4.294 1.00 0.00 H new ATOM 1085 N PRO A 69 -21.932 8.086 1.409 1.00 0.00 N ATOM 1086 CA PRO A 69 -22.281 7.673 0.052 1.00 0.00 C ATOM 1087 C PRO A 69 -23.674 7.056 -0.027 1.00 0.00 C ATOM 1088 O PRO A 69 -24.046 6.233 0.810 1.00 0.00 O ATOM 1089 CB PRO A 69 -21.216 6.627 -0.252 1.00 0.00 C ATOM 1090 CG PRO A 69 -20.945 5.975 1.062 1.00 0.00 C ATOM 1091 CD PRO A 69 -21.212 7.014 2.127 1.00 0.00 C ATOM 0 HA PRO A 69 -22.307 8.508 -0.648 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.568 5.904 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.315 7.085 -0.661 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.586 5.105 1.201 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.915 5.624 1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.812 6.606 2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.285 7.381 2.567 1.00 0.00 H new ATOM 1099 N ASN A 70 -24.439 7.457 -1.037 1.00 0.00 N ATOM 1100 CA ASN A 70 -25.790 6.941 -1.222 1.00 0.00 C ATOM 1101 C ASN A 70 -25.759 5.524 -1.782 1.00 0.00 C ATOM 1102 O ASN A 70 -24.692 4.994 -2.092 1.00 0.00 O ATOM 1103 CB ASN A 70 -26.590 7.853 -2.153 1.00 0.00 C ATOM 1104 CG ASN A 70 -26.748 9.253 -1.592 1.00 0.00 C ATOM 1105 OD1 ASN A 70 -27.710 9.544 -0.881 1.00 0.00 O ATOM 1106 ND2 ASN A 70 -25.800 10.128 -1.910 1.00 0.00 N ATOM 0 H ASN A 70 -24.147 8.137 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 70 -26.277 6.917 -0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -26.092 7.906 -3.121 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -27.575 7.419 -2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -25.852 11.085 -1.562 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -25.020 9.842 -2.503 1.00 0.00 H new ATOM 1113 N GLU A 71 -26.933 4.915 -1.910 1.00 0.00 N ATOM 1114 CA GLU A 71 -27.036 3.557 -2.432 1.00 0.00 C ATOM 1115 C GLU A 71 -26.487 3.477 -3.854 1.00 0.00 C ATOM 1116 O GLU A 71 -25.982 2.438 -4.278 1.00 0.00 O ATOM 1117 CB GLU A 71 -28.493 3.087 -2.405 1.00 0.00 C ATOM 1118 CG GLU A 71 -29.441 3.995 -3.171 1.00 0.00 C ATOM 1119 CD GLU A 71 -30.864 3.471 -3.185 1.00 0.00 C ATOM 1120 OE1 GLU A 71 -31.630 3.806 -2.257 1.00 0.00 O ATOM 1121 OE2 GLU A 71 -31.211 2.724 -4.125 1.00 0.00 O ATOM 0 H GLU A 71 -27.826 5.340 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.440 2.903 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -28.549 2.082 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -28.825 3.020 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -29.428 4.989 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -29.087 4.102 -4.196 1.00 0.00 H new ATOM 1128 N VAL A 72 -26.586 4.584 -4.584 1.00 0.00 N ATOM 1129 CA VAL A 72 -26.099 4.638 -5.958 1.00 0.00 C ATOM 1130 C VAL A 72 -24.628 5.042 -6.005 1.00 0.00 C ATOM 1131 O VAL A 72 -23.918 4.730 -6.962 1.00 0.00 O ATOM 1132 CB VAL A 72 -26.924 5.627 -6.807 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -26.790 7.043 -6.270 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -26.501 5.561 -8.267 1.00 0.00 C ATOM 0 H VAL A 72 -26.998 5.454 -4.248 1.00 0.00 H new ATOM 0 HA VAL A 72 -26.209 3.636 -6.374 1.00 0.00 H new ATOM 0 HB VAL A 72 -27.973 5.339 -6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -27.380 7.723 -6.885 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -27.150 7.078 -5.242 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -25.743 7.345 -6.298 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -27.094 6.266 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -25.445 5.818 -8.352 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -26.660 4.552 -8.647 1.00 0.00 H new ATOM 1144 N GLU A 73 -24.175 5.732 -4.963 1.00 0.00 N ATOM 1145 CA GLU A 73 -22.789 6.183 -4.889 1.00 0.00 C ATOM 1146 C GLU A 73 -21.835 5.014 -4.666 1.00 0.00 C ATOM 1147 O GLU A 73 -20.883 4.829 -5.422 1.00 0.00 O ATOM 1148 CB GLU A 73 -22.623 7.212 -3.769 1.00 0.00 C ATOM 1149 CG GLU A 73 -23.418 8.488 -3.995 1.00 0.00 C ATOM 1150 CD GLU A 73 -23.033 9.195 -5.280 1.00 0.00 C ATOM 1151 OE1 GLU A 73 -23.646 8.898 -6.327 1.00 0.00 O ATOM 1152 OE2 GLU A 73 -22.119 10.046 -5.241 1.00 0.00 O ATOM 0 H GLU A 73 -24.747 5.991 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 73 -22.540 6.648 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -22.932 6.763 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.567 7.464 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -24.481 8.250 -4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -23.263 9.162 -3.153 1.00 0.00 H new ATOM 1159 N LEU A 74 -22.093 4.226 -3.627 1.00 0.00 N ATOM 1160 CA LEU A 74 -21.244 3.081 -3.308 1.00 0.00 C ATOM 1161 C LEU A 74 -21.138 2.116 -4.488 1.00 0.00 C ATOM 1162 O LEU A 74 -20.274 1.242 -4.507 1.00 0.00 O ATOM 1163 CB LEU A 74 -21.771 2.353 -2.068 1.00 0.00 C ATOM 1164 CG LEU A 74 -23.282 2.118 -2.033 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -23.669 0.939 -2.913 1.00 0.00 C ATOM 1166 CD2 LEU A 74 -23.749 1.891 -0.603 1.00 0.00 C ATOM 0 H LEU A 74 -22.881 4.358 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 74 -20.244 3.459 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -21.269 1.388 -1.994 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -21.490 2.927 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 74 -23.775 3.008 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -24.748 0.792 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -23.370 1.139 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -23.167 0.039 -2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -24.826 1.725 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -23.244 1.018 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -23.512 2.767 0.001 1.00 0.00 H new ATOM 1178 N GLU A 75 -22.019 2.279 -5.470 1.00 0.00 N ATOM 1179 CA GLU A 75 -22.012 1.424 -6.652 1.00 0.00 C ATOM 1180 C GLU A 75 -21.034 1.945 -7.703 1.00 0.00 C ATOM 1181 O GLU A 75 -20.415 1.164 -8.425 1.00 0.00 O ATOM 1182 CB GLU A 75 -23.416 1.329 -7.256 1.00 0.00 C ATOM 1183 CG GLU A 75 -24.404 0.558 -6.396 1.00 0.00 C ATOM 1184 CD GLU A 75 -24.000 -0.890 -6.200 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -24.136 -1.680 -7.158 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -23.548 -1.235 -5.088 1.00 0.00 O ATOM 0 H GLU A 75 -22.746 2.994 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 75 -21.689 0.431 -6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -23.800 2.336 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -23.349 0.851 -8.233 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -24.489 1.043 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -25.390 0.597 -6.859 1.00 0.00 H new ATOM 1193 N VAL A 76 -20.898 3.268 -7.783 1.00 0.00 N ATOM 1194 CA VAL A 76 -19.999 3.882 -8.756 1.00 0.00 C ATOM 1195 C VAL A 76 -18.578 3.998 -8.212 1.00 0.00 C ATOM 1196 O VAL A 76 -17.612 4.019 -8.975 1.00 0.00 O ATOM 1197 CB VAL A 76 -20.494 5.277 -9.192 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -21.869 5.179 -9.836 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -20.523 6.237 -8.012 1.00 0.00 C ATOM 0 H VAL A 76 -21.396 3.931 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.993 3.225 -9.626 1.00 0.00 H new ATOM 0 HB VAL A 76 -19.794 5.669 -9.930 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -22.201 6.172 -10.137 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -21.815 4.533 -10.713 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -22.577 4.761 -9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -20.875 7.213 -8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -21.195 5.851 -7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.519 6.336 -7.598 1.00 0.00 H new ATOM 1209 N ILE A 77 -18.454 4.082 -6.893 1.00 0.00 N ATOM 1210 CA ILE A 77 -17.149 4.193 -6.253 1.00 0.00 C ATOM 1211 C ILE A 77 -16.479 2.826 -6.132 1.00 0.00 C ATOM 1212 O ILE A 77 -15.253 2.725 -6.069 1.00 0.00 O ATOM 1213 CB ILE A 77 -17.273 4.835 -4.857 1.00 0.00 C ATOM 1214 CG1 ILE A 77 -17.901 6.223 -4.977 1.00 0.00 C ATOM 1215 CG2 ILE A 77 -15.912 4.921 -4.180 1.00 0.00 C ATOM 1216 CD1 ILE A 77 -18.898 6.530 -3.885 1.00 0.00 C ATOM 0 H ILE A 77 -19.242 4.075 -6.245 1.00 0.00 H new ATOM 0 HA ILE A 77 -16.530 4.833 -6.882 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.917 4.208 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.111 6.973 -4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.396 6.306 -5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.023 5.377 -3.196 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.496 3.919 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.241 5.528 -4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -19.303 7.531 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -19.708 5.802 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.403 6.479 -2.915 1.00 0.00 H new ATOM 1228 N ILE A 78 -17.293 1.775 -6.105 1.00 0.00 N ATOM 1229 CA ILE A 78 -16.783 0.413 -5.987 1.00 0.00 C ATOM 1230 C ILE A 78 -16.387 -0.161 -7.347 1.00 0.00 C ATOM 1231 O ILE A 78 -15.532 -1.043 -7.426 1.00 0.00 O ATOM 1232 CB ILE A 78 -17.823 -0.514 -5.307 1.00 0.00 C ATOM 1233 CG1 ILE A 78 -17.766 -0.344 -3.785 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -17.605 -1.974 -5.691 1.00 0.00 C ATOM 1235 CD1 ILE A 78 -16.475 -0.836 -3.162 1.00 0.00 C ATOM 0 H ILE A 78 -18.309 1.841 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 78 -15.890 0.460 -5.363 1.00 0.00 H new ATOM 0 HB ILE A 78 -18.813 -0.225 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -17.897 0.710 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -18.602 -0.881 -3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -18.351 -2.596 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -17.699 -2.084 -6.771 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -16.608 -2.287 -5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -16.510 -0.682 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -16.351 -1.898 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -15.635 -0.282 -3.581 1.00 0.00 H new ATOM 1247 N GLN A 79 -16.987 0.353 -8.418 1.00 0.00 N ATOM 1248 CA GLN A 79 -16.684 -0.136 -9.759 1.00 0.00 C ATOM 1249 C GLN A 79 -15.358 0.431 -10.256 1.00 0.00 C ATOM 1250 O GLN A 79 -14.769 -0.086 -11.206 1.00 0.00 O ATOM 1251 CB GLN A 79 -17.809 0.224 -10.732 1.00 0.00 C ATOM 1252 CG GLN A 79 -18.008 1.719 -10.910 1.00 0.00 C ATOM 1253 CD GLN A 79 -19.065 2.049 -11.945 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -20.014 1.290 -12.145 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -18.905 3.187 -12.612 1.00 0.00 N ATOM 0 H GLN A 79 -17.680 1.101 -8.384 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.599 -1.222 -9.710 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.595 -0.223 -11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.740 -0.218 -10.376 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.291 2.160 -9.954 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.063 2.175 -11.204 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.103 3.786 -12.414 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.584 3.462 -13.322 1.00 0.00 H new ATOM 1264 N ARG A 80 -14.895 1.497 -9.608 1.00 0.00 N ATOM 1265 CA ARG A 80 -13.636 2.132 -9.979 1.00 0.00 C ATOM 1266 C ARG A 80 -12.454 1.289 -9.518 1.00 0.00 C ATOM 1267 O ARG A 80 -11.486 1.097 -10.255 1.00 0.00 O ATOM 1268 CB ARG A 80 -13.540 3.531 -9.364 1.00 0.00 C ATOM 1269 CG ARG A 80 -14.592 4.501 -9.876 1.00 0.00 C ATOM 1270 CD ARG A 80 -14.372 4.841 -11.341 1.00 0.00 C ATOM 1271 NE ARG A 80 -13.062 5.448 -11.571 1.00 0.00 N ATOM 1272 CZ ARG A 80 -12.669 5.932 -12.744 1.00 0.00 C ATOM 1273 NH1 ARG A 80 -13.484 5.892 -13.790 1.00 0.00 N ATOM 1274 NH2 ARG A 80 -11.459 6.460 -12.872 1.00 0.00 N ATOM 0 H ARG A 80 -15.374 1.938 -8.823 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.608 2.217 -11.065 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.632 3.448 -8.281 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -12.551 3.941 -9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.583 4.065 -9.748 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -14.566 5.414 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.462 3.935 -11.941 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.152 5.525 -11.676 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.413 5.503 -10.786 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -14.416 5.489 -13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.179 6.265 -14.689 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.830 6.494 -12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.157 6.832 -13.773 1.00 0.00 H new ATOM 1288 N LEU A 81 -12.542 0.788 -8.291 1.00 0.00 N ATOM 1289 CA LEU A 81 -11.484 -0.036 -7.721 1.00 0.00 C ATOM 1290 C LEU A 81 -11.611 -1.479 -8.198 1.00 0.00 C ATOM 1291 O LEU A 81 -10.613 -2.140 -8.485 1.00 0.00 O ATOM 1292 CB LEU A 81 -11.538 0.016 -6.192 1.00 0.00 C ATOM 1293 CG LEU A 81 -11.933 1.371 -5.595 1.00 0.00 C ATOM 1294 CD1 LEU A 81 -11.899 1.313 -4.075 1.00 0.00 C ATOM 1295 CD2 LEU A 81 -11.021 2.479 -6.105 1.00 0.00 C ATOM 0 H LEU A 81 -13.338 0.939 -7.671 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.524 0.358 -8.056 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.247 -0.736 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.560 -0.263 -5.801 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.951 1.597 -5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.182 2.283 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.598 0.554 -3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.892 1.060 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.323 3.430 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.991 2.261 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.096 2.541 -7.191 1.00 0.00 H new ATOM 1307 N ASP A 82 -12.849 -1.958 -8.277 1.00 0.00 N ATOM 1308 CA ASP A 82 -13.124 -3.321 -8.721 1.00 0.00 C ATOM 1309 C ASP A 82 -12.820 -3.477 -10.210 1.00 0.00 C ATOM 1310 O ASP A 82 -13.716 -3.381 -11.050 1.00 0.00 O ATOM 1311 CB ASP A 82 -14.586 -3.674 -8.438 1.00 0.00 C ATOM 1312 CG ASP A 82 -14.924 -5.104 -8.802 1.00 0.00 C ATOM 1313 OD1 ASP A 82 -14.038 -5.976 -8.671 1.00 0.00 O ATOM 1314 OD2 ASP A 82 -16.077 -5.355 -9.208 1.00 0.00 O ATOM 0 H ASP A 82 -13.682 -1.419 -8.038 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.478 -4.004 -8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.796 -3.514 -7.380 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.233 -2.999 -8.997 1.00 0.00 H new ATOM 1319 N MET A 83 -11.551 -3.717 -10.527 1.00 0.00 N ATOM 1320 CA MET A 83 -11.121 -3.878 -11.912 1.00 0.00 C ATOM 1321 C MET A 83 -11.474 -5.262 -12.455 1.00 0.00 C ATOM 1322 O MET A 83 -11.997 -5.386 -13.563 1.00 0.00 O ATOM 1323 CB MET A 83 -9.612 -3.648 -12.030 1.00 0.00 C ATOM 1324 CG MET A 83 -9.154 -2.313 -11.465 1.00 0.00 C ATOM 1325 SD MET A 83 -7.399 -2.005 -11.748 1.00 0.00 S ATOM 1326 CE MET A 83 -7.203 -0.416 -10.947 1.00 0.00 C ATOM 0 H MET A 83 -10.801 -3.804 -9.841 1.00 0.00 H new ATOM 0 HA MET A 83 -11.651 -3.135 -12.507 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.089 -4.451 -11.511 1.00 0.00 H new ATOM 0 HB3 MET A 83 -9.325 -3.706 -13.080 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.737 -1.512 -11.918 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.355 -2.288 -10.394 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.167 -0.089 -11.036 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.857 0.315 -11.423 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.466 -0.505 -9.893 1.00 0.00 H new ATOM 1336 N ASP A 84 -11.187 -6.298 -11.673 1.00 0.00 N ATOM 1337 CA ASP A 84 -11.468 -7.669 -12.090 1.00 0.00 C ATOM 1338 C ASP A 84 -12.971 -7.936 -12.149 1.00 0.00 C ATOM 1339 O ASP A 84 -13.421 -8.864 -12.822 1.00 0.00 O ATOM 1340 CB ASP A 84 -10.784 -8.666 -11.152 1.00 0.00 C ATOM 1341 CG ASP A 84 -11.219 -8.503 -9.709 1.00 0.00 C ATOM 1342 OD1 ASP A 84 -11.030 -7.401 -9.151 1.00 0.00 O ATOM 1343 OD2 ASP A 84 -11.741 -9.479 -9.136 1.00 0.00 O ATOM 0 H ASP A 84 -10.761 -6.216 -10.750 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.066 -7.800 -13.094 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.006 -9.681 -11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.703 -8.539 -11.218 1.00 0.00 H new ATOM 1348 N GLY A 85 -13.741 -7.116 -11.439 1.00 0.00 N ATOM 1349 CA GLY A 85 -15.187 -7.267 -11.436 1.00 0.00 C ATOM 1350 C GLY A 85 -15.674 -8.396 -10.546 1.00 0.00 C ATOM 1351 O GLY A 85 -16.574 -9.145 -10.927 1.00 0.00 O ATOM 0 H GLY A 85 -13.390 -6.349 -10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.642 -6.333 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.528 -7.445 -12.456 1.00 0.00 H new ATOM 1355 N ASP A 86 -15.088 -8.521 -9.359 1.00 0.00 N ATOM 1356 CA ASP A 86 -15.484 -9.569 -8.423 1.00 0.00 C ATOM 1357 C ASP A 86 -16.590 -9.086 -7.491 1.00 0.00 C ATOM 1358 O ASP A 86 -17.170 -9.874 -6.743 1.00 0.00 O ATOM 1359 CB ASP A 86 -14.282 -10.039 -7.603 1.00 0.00 C ATOM 1360 CG ASP A 86 -13.730 -8.949 -6.707 1.00 0.00 C ATOM 1361 OD1 ASP A 86 -12.987 -8.083 -7.213 1.00 0.00 O ATOM 1362 OD2 ASP A 86 -14.039 -8.963 -5.497 1.00 0.00 O ATOM 0 H ASP A 86 -14.341 -7.913 -9.023 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.866 -10.407 -9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.574 -10.894 -6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.498 -10.382 -8.278 1.00 0.00 H new ATOM 1367 N GLY A 87 -16.881 -7.788 -7.538 1.00 0.00 N ATOM 1368 CA GLY A 87 -17.916 -7.231 -6.687 1.00 0.00 C ATOM 1369 C GLY A 87 -17.351 -6.560 -5.450 1.00 0.00 C ATOM 1370 O GLY A 87 -17.956 -5.636 -4.905 1.00 0.00 O ATOM 0 H GLY A 87 -16.419 -7.115 -8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -18.499 -6.506 -7.256 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -18.600 -8.024 -6.386 1.00 0.00 H new ATOM 1374 N GLN A 88 -16.188 -7.026 -5.008 1.00 0.00 N ATOM 1375 CA GLN A 88 -15.535 -6.470 -3.828 1.00 0.00 C ATOM 1376 C GLN A 88 -14.134 -5.968 -4.166 1.00 0.00 C ATOM 1377 O GLN A 88 -13.559 -6.346 -5.187 1.00 0.00 O ATOM 1378 CB GLN A 88 -15.467 -7.525 -2.723 1.00 0.00 C ATOM 1379 CG GLN A 88 -16.833 -8.023 -2.278 1.00 0.00 C ATOM 1380 CD GLN A 88 -16.745 -9.086 -1.200 1.00 0.00 C ATOM 1381 OE1 GLN A 88 -16.739 -8.778 -0.009 1.00 0.00 O ATOM 1382 NE2 GLN A 88 -16.675 -10.345 -1.614 1.00 0.00 N ATOM 0 H GLN A 88 -15.677 -7.790 -5.450 1.00 0.00 H new ATOM 0 HA GLN A 88 -16.123 -5.622 -3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.877 -8.371 -3.075 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.943 -7.107 -1.863 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -17.419 -7.182 -1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -17.366 -8.427 -3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.683 -10.555 -2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.613 -11.103 -0.934 1.00 0.00 H new ATOM 1391 N VAL A 89 -13.591 -5.111 -3.306 1.00 0.00 N ATOM 1392 CA VAL A 89 -12.260 -4.552 -3.518 1.00 0.00 C ATOM 1393 C VAL A 89 -11.195 -5.349 -2.770 1.00 0.00 C ATOM 1394 O VAL A 89 -11.319 -5.594 -1.569 1.00 0.00 O ATOM 1395 CB VAL A 89 -12.193 -3.080 -3.070 1.00 0.00 C ATOM 1396 CG1 VAL A 89 -10.810 -2.502 -3.324 1.00 0.00 C ATOM 1397 CG2 VAL A 89 -13.260 -2.259 -3.777 1.00 0.00 C ATOM 0 H VAL A 89 -14.053 -4.789 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 89 -12.063 -4.610 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.384 -3.039 -1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.785 -1.462 -3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.069 -3.073 -2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.583 -2.556 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.198 -1.222 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -13.103 -2.308 -4.854 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -14.245 -2.658 -3.536 1.00 0.00 H new ATOM 1407 N ASP A 90 -10.152 -5.750 -3.490 1.00 0.00 N ATOM 1408 CA ASP A 90 -9.060 -6.518 -2.900 1.00 0.00 C ATOM 1409 C ASP A 90 -7.927 -5.601 -2.441 1.00 0.00 C ATOM 1410 O ASP A 90 -7.726 -4.523 -3.002 1.00 0.00 O ATOM 1411 CB ASP A 90 -8.530 -7.543 -3.904 1.00 0.00 C ATOM 1412 CG ASP A 90 -7.435 -8.413 -3.320 1.00 0.00 C ATOM 1413 OD1 ASP A 90 -7.767 -9.435 -2.683 1.00 0.00 O ATOM 1414 OD2 ASP A 90 -6.246 -8.074 -3.502 1.00 0.00 O ATOM 0 H ASP A 90 -10.040 -5.556 -4.485 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.450 -7.042 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.351 -8.175 -4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.147 -7.023 -4.782 1.00 0.00 H new ATOM 1419 N PHE A 91 -7.197 -6.035 -1.418 1.00 0.00 N ATOM 1420 CA PHE A 91 -6.087 -5.257 -0.874 1.00 0.00 C ATOM 1421 C PHE A 91 -5.143 -4.777 -1.977 1.00 0.00 C ATOM 1422 O PHE A 91 -4.874 -3.583 -2.095 1.00 0.00 O ATOM 1423 CB PHE A 91 -5.310 -6.090 0.150 1.00 0.00 C ATOM 1424 CG PHE A 91 -4.006 -5.472 0.574 1.00 0.00 C ATOM 1425 CD1 PHE A 91 -3.985 -4.287 1.293 1.00 0.00 C ATOM 1426 CD2 PHE A 91 -2.801 -6.078 0.255 1.00 0.00 C ATOM 1427 CE1 PHE A 91 -2.788 -3.718 1.682 1.00 0.00 C ATOM 1428 CE2 PHE A 91 -1.601 -5.514 0.642 1.00 0.00 C ATOM 1429 CZ PHE A 91 -1.594 -4.333 1.357 1.00 0.00 C ATOM 0 H PHE A 91 -7.355 -6.926 -0.947 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.507 -4.379 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.934 -6.239 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.114 -7.076 -0.272 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.915 -3.803 1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.800 -7.003 -0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.785 -2.793 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.669 -5.996 0.386 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.657 -3.891 1.662 1.00 0.00 H new ATOM 1439 N GLU A 92 -4.653 -5.717 -2.778 1.00 0.00 N ATOM 1440 CA GLU A 92 -3.727 -5.407 -3.866 1.00 0.00 C ATOM 1441 C GLU A 92 -4.208 -4.226 -4.710 1.00 0.00 C ATOM 1442 O GLU A 92 -3.520 -3.212 -4.820 1.00 0.00 O ATOM 1443 CB GLU A 92 -3.535 -6.637 -4.754 1.00 0.00 C ATOM 1444 CG GLU A 92 -3.002 -7.848 -4.006 1.00 0.00 C ATOM 1445 CD GLU A 92 -2.856 -9.066 -4.897 1.00 0.00 C ATOM 1446 OE1 GLU A 92 -3.839 -9.823 -5.032 1.00 0.00 O ATOM 1447 OE2 GLU A 92 -1.757 -9.262 -5.457 1.00 0.00 O ATOM 0 H GLU A 92 -4.883 -6.707 -2.695 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.775 -5.124 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.489 -6.895 -5.215 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.848 -6.388 -5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.034 -7.604 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.673 -8.085 -3.180 1.00 0.00 H new ATOM 1454 N GLU A 93 -5.386 -4.365 -5.309 1.00 0.00 N ATOM 1455 CA GLU A 93 -5.951 -3.312 -6.150 1.00 0.00 C ATOM 1456 C GLU A 93 -5.902 -1.946 -5.465 1.00 0.00 C ATOM 1457 O GLU A 93 -5.731 -0.919 -6.121 1.00 0.00 O ATOM 1458 CB GLU A 93 -7.396 -3.656 -6.516 1.00 0.00 C ATOM 1459 CG GLU A 93 -7.527 -4.936 -7.323 1.00 0.00 C ATOM 1460 CD GLU A 93 -8.972 -5.342 -7.541 1.00 0.00 C ATOM 1461 OE1 GLU A 93 -9.608 -4.798 -8.467 1.00 0.00 O ATOM 1462 OE2 GLU A 93 -9.466 -6.204 -6.783 1.00 0.00 O ATOM 0 H GLU A 93 -5.970 -5.197 -5.228 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.345 -3.252 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.982 -3.751 -5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.825 -2.831 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -7.041 -4.803 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.001 -5.741 -6.809 1.00 0.00 H new ATOM 1469 N PHE A 94 -6.040 -1.940 -4.143 1.00 0.00 N ATOM 1470 CA PHE A 94 -6.032 -0.697 -3.376 1.00 0.00 C ATOM 1471 C PHE A 94 -4.618 -0.288 -2.957 1.00 0.00 C ATOM 1472 O PHE A 94 -4.352 0.892 -2.724 1.00 0.00 O ATOM 1473 CB PHE A 94 -6.921 -0.848 -2.139 1.00 0.00 C ATOM 1474 CG PHE A 94 -6.981 0.380 -1.274 1.00 0.00 C ATOM 1475 CD1 PHE A 94 -7.489 1.571 -1.769 1.00 0.00 C ATOM 1476 CD2 PHE A 94 -6.534 0.339 0.037 1.00 0.00 C ATOM 1477 CE1 PHE A 94 -7.547 2.699 -0.973 1.00 0.00 C ATOM 1478 CE2 PHE A 94 -6.591 1.465 0.838 1.00 0.00 C ATOM 1479 CZ PHE A 94 -7.098 2.646 0.332 1.00 0.00 C ATOM 0 H PHE A 94 -6.159 -2.782 -3.579 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.422 0.092 -4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.931 -1.104 -2.459 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -6.555 -1.683 -1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.843 1.618 -2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -6.137 -0.582 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -7.943 3.621 -1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -6.239 1.421 1.858 1.00 0.00 H new ATOM 0 HZ PHE A 94 -7.143 3.526 0.956 1.00 0.00 H new ATOM 1489 N VAL A 95 -3.711 -1.256 -2.874 1.00 0.00 N ATOM 1490 CA VAL A 95 -2.338 -0.976 -2.464 1.00 0.00 C ATOM 1491 C VAL A 95 -1.580 -0.199 -3.539 1.00 0.00 C ATOM 1492 O VAL A 95 -0.667 0.567 -3.230 1.00 0.00 O ATOM 1493 CB VAL A 95 -1.568 -2.273 -2.120 1.00 0.00 C ATOM 1494 CG1 VAL A 95 -0.903 -2.873 -3.352 1.00 0.00 C ATOM 1495 CG2 VAL A 95 -0.538 -2.007 -1.034 1.00 0.00 C ATOM 0 H VAL A 95 -3.899 -2.236 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.401 -0.361 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.291 -2.999 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.372 -3.783 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.663 -3.111 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.198 -2.155 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.005 -2.930 -0.804 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.171 -1.256 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.040 -1.645 -0.137 1.00 0.00 H new ATOM 1505 N THR A 96 -1.961 -0.397 -4.799 1.00 0.00 N ATOM 1506 CA THR A 96 -1.309 0.290 -5.908 1.00 0.00 C ATOM 1507 C THR A 96 -1.912 1.674 -6.135 1.00 0.00 C ATOM 1508 O THR A 96 -1.191 2.636 -6.397 1.00 0.00 O ATOM 1509 CB THR A 96 -1.409 -0.524 -7.213 1.00 0.00 C ATOM 1510 OG1 THR A 96 -0.884 -1.842 -7.010 1.00 0.00 O ATOM 1511 CG2 THR A 96 -0.645 0.162 -8.337 1.00 0.00 C ATOM 0 H THR A 96 -2.715 -1.025 -5.075 1.00 0.00 H new ATOM 0 HA THR A 96 -0.259 0.397 -5.636 1.00 0.00 H new ATOM 0 HB THR A 96 -2.460 -0.591 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.953 -2.353 -7.843 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.729 -0.430 -9.248 1.00 0.00 H new ATOM 0 HG22 THR A 96 -1.063 1.154 -8.509 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.405 0.254 -8.060 1.00 0.00 H new ATOM 1519 N LEU A 97 -3.235 1.764 -6.038 1.00 0.00 N ATOM 1520 CA LEU A 97 -3.934 3.032 -6.235 1.00 0.00 C ATOM 1521 C LEU A 97 -3.355 4.133 -5.350 1.00 0.00 C ATOM 1522 O LEU A 97 -3.383 5.310 -5.712 1.00 0.00 O ATOM 1523 CB LEU A 97 -5.428 2.864 -5.951 1.00 0.00 C ATOM 1524 CG LEU A 97 -6.184 1.998 -6.960 1.00 0.00 C ATOM 1525 CD1 LEU A 97 -7.569 1.657 -6.435 1.00 0.00 C ATOM 1526 CD2 LEU A 97 -6.283 2.705 -8.302 1.00 0.00 C ATOM 0 H LEU A 97 -3.845 0.975 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.797 3.328 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.547 2.428 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.890 3.851 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.630 1.070 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -8.093 1.040 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.478 1.110 -5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.130 2.576 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.824 2.074 -9.007 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -6.815 3.648 -8.178 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.281 2.901 -8.685 1.00 0.00 H new ATOM 1538 N LEU A 98 -2.833 3.749 -4.187 1.00 0.00 N ATOM 1539 CA LEU A 98 -2.248 4.715 -3.262 1.00 0.00 C ATOM 1540 C LEU A 98 -0.725 4.630 -3.273 1.00 0.00 C ATOM 1541 O LEU A 98 -0.042 5.488 -2.714 1.00 0.00 O ATOM 1542 CB LEU A 98 -2.781 4.490 -1.843 1.00 0.00 C ATOM 1543 CG LEU A 98 -2.495 3.111 -1.241 1.00 0.00 C ATOM 1544 CD1 LEU A 98 -1.132 3.087 -0.563 1.00 0.00 C ATOM 1545 CD2 LEU A 98 -3.586 2.728 -0.254 1.00 0.00 C ATOM 0 H LEU A 98 -2.803 2.782 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.537 5.713 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.352 5.249 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.860 4.647 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.484 2.381 -2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.952 2.097 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.358 3.317 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.109 3.829 0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.369 1.746 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.625 3.465 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.547 2.699 -0.767 1.00 0.00 H new ATOM 1557 N GLY A 99 -0.200 3.590 -3.914 1.00 0.00 N ATOM 1558 CA GLY A 99 1.239 3.412 -3.981 1.00 0.00 C ATOM 1559 C GLY A 99 1.848 4.047 -5.220 1.00 0.00 C ATOM 1560 O GLY A 99 1.877 5.273 -5.331 1.00 0.00 O ATOM 0 H GLY A 99 -0.744 2.869 -4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.697 3.846 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.471 2.347 -3.972 1.00 0.00 H new ATOM 1564 N PRO A 100 2.350 3.239 -6.176 1.00 0.00 N ATOM 1565 CA PRO A 100 2.958 3.759 -7.407 1.00 0.00 C ATOM 1566 C PRO A 100 1.980 4.597 -8.225 1.00 0.00 C ATOM 1567 O PRO A 100 1.213 4.009 -9.016 1.00 0.00 O ATOM 1568 CB PRO A 100 3.359 2.495 -8.180 1.00 0.00 C ATOM 1569 CG PRO A 100 3.411 1.414 -7.157 1.00 0.00 C ATOM 1570 CD PRO A 100 2.368 1.766 -6.137 1.00 0.00 C ATOM 1571 OXT PRO A 100 1.989 5.836 -8.066 1.00 0.00 O ATOM 0 HA PRO A 100 3.796 4.423 -7.194 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.634 2.264 -8.961 1.00 0.00 H new ATOM 0 HB3 PRO A 100 4.325 2.622 -8.669 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.207 0.441 -7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 100 4.399 1.354 -6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 100 1.396 1.344 -6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 100 2.629 1.392 -5.147 1.00 0.00 H new TER 1579 PRO A 100 HETATM 1580 CA CA A 201 -16.833 -8.706 3.695 1.00 0.00 CA HETATM 1581 CA CA A 202 -11.842 -5.749 -7.069 1.00 0.00 CA