USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 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 98 THR OG1 : rot 127:sc= 0.131 USER MOD Set 1.2: A 125 THR OG1 : rot 101:sc= 0.948 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 31:sc= 0.215 USER MOD Single : A 47 GLN : amide:sc= -0.723 X(o=-0.72,f=-0.61) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.158 K(o=0.16,f=-0.6) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 65 THR OG1 : rot -150:sc= 0.436 USER MOD Single : A 66 MET CE :methyl -117:sc= -0.0614 (180deg=-3!) USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0126) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -170:sc= -0.214 USER MOD Single : A 91 TYR OH : rot -176:sc= 0.53 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -118:sc= 0.419 (180deg=-0.0836) USER MOD Single : A 117 THR OG1 : rot 150:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -162:sc= 0.137 (180deg=0.0506) USER MOD Single : A 122 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 124 MET CE :methyl 154:sc= -0.369 (180deg=-1.03) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 CYS SG : rot 180:sc= -0.0629 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 43 -12.669 22.246 -7.254 1.00 0.00 N ATOM 2 CA MET A 43 -13.592 21.865 -6.157 1.00 0.00 C ATOM 3 C MET A 43 -12.847 21.902 -4.809 1.00 0.00 C ATOM 4 O MET A 43 -11.969 21.065 -4.550 1.00 0.00 O ATOM 5 CB MET A 43 -14.216 20.469 -6.414 1.00 0.00 C ATOM 6 CG MET A 43 -15.057 19.917 -5.249 1.00 0.00 C ATOM 7 SD MET A 43 -16.337 21.063 -4.674 1.00 0.00 S ATOM 8 CE MET A 43 -16.998 20.190 -3.248 1.00 0.00 C ATOM 0 HA MET A 43 -14.410 22.585 -6.122 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.844 20.525 -7.303 1.00 0.00 H new ATOM 0 HB3 MET A 43 -13.415 19.763 -6.633 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.529 18.985 -5.562 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.396 19.676 -4.417 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.794 20.781 -2.796 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.396 19.226 -3.564 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.204 20.033 -2.518 1.00 0.00 H new ATOM 20 N ALA A 44 -13.199 22.888 -3.962 1.00 0.00 N ATOM 21 CA ALA A 44 -12.608 23.065 -2.629 1.00 0.00 C ATOM 22 C ALA A 44 -13.302 22.133 -1.626 1.00 0.00 C ATOM 23 O ALA A 44 -14.290 22.505 -0.987 1.00 0.00 O ATOM 24 CB ALA A 44 -12.690 24.538 -2.184 1.00 0.00 C ATOM 0 H ALA A 44 -13.907 23.587 -4.188 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.552 22.799 -2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.246 24.644 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.148 25.163 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.734 24.850 -2.149 1.00 0.00 H new ATOM 30 N THR A 45 -12.818 20.887 -1.564 1.00 0.00 N ATOM 31 CA THR A 45 -13.294 19.901 -0.596 1.00 0.00 C ATOM 32 C THR A 45 -12.623 20.164 0.768 1.00 0.00 C ATOM 33 O THR A 45 -11.384 20.243 0.825 1.00 0.00 O ATOM 34 CB THR A 45 -12.995 18.438 -1.073 1.00 0.00 C ATOM 35 OG1 THR A 45 -11.590 18.279 -1.340 1.00 0.00 O ATOM 36 CG2 THR A 45 -13.803 18.073 -2.330 1.00 0.00 C ATOM 0 H THR A 45 -12.087 20.538 -2.184 1.00 0.00 H new ATOM 0 HA THR A 45 -14.375 20.001 -0.502 1.00 0.00 H new ATOM 0 HB THR A 45 -13.294 17.765 -0.270 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.076 18.867 -0.748 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.568 17.052 -2.630 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.868 18.152 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.546 18.757 -3.139 1.00 0.00 H new ATOM 44 N PRO A 46 -13.422 20.370 1.873 1.00 0.00 N ATOM 45 CA PRO A 46 -12.884 20.425 3.253 1.00 0.00 C ATOM 46 C PRO A 46 -12.043 19.166 3.548 1.00 0.00 C ATOM 47 O PRO A 46 -12.599 18.072 3.688 1.00 0.00 O ATOM 48 CB PRO A 46 -14.162 20.507 4.135 1.00 0.00 C ATOM 49 CG PRO A 46 -15.185 21.139 3.241 1.00 0.00 C ATOM 50 CD PRO A 46 -14.899 20.598 1.857 1.00 0.00 C ATOM 0 HA PRO A 46 -12.213 21.265 3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.480 19.519 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.991 21.105 5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.196 20.886 3.561 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.107 22.226 3.262 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.446 19.675 1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.188 21.307 1.081 1.00 0.00 H new ATOM 58 N GLN A 47 -10.704 19.341 3.564 1.00 0.00 N ATOM 59 CA GLN A 47 -9.729 18.232 3.614 1.00 0.00 C ATOM 60 C GLN A 47 -10.001 17.284 4.801 1.00 0.00 C ATOM 61 O GLN A 47 -9.996 17.706 5.968 1.00 0.00 O ATOM 62 CB GLN A 47 -8.255 18.762 3.633 1.00 0.00 C ATOM 63 CG GLN A 47 -7.788 19.520 4.911 1.00 0.00 C ATOM 64 CD GLN A 47 -8.509 20.851 5.168 1.00 0.00 C ATOM 65 OE1 GLN A 47 -8.074 21.913 4.717 1.00 0.00 O ATOM 66 NE2 GLN A 47 -9.620 20.801 5.896 1.00 0.00 N ATOM 0 H GLN A 47 -10.267 20.262 3.542 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.857 17.652 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.589 17.913 3.481 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.124 19.427 2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.933 18.871 5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.718 19.712 4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.955 19.907 6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.138 21.657 6.095 1.00 0.00 H new ATOM 75 N ASP A 48 -10.306 16.017 4.472 1.00 0.00 N ATOM 76 CA ASP A 48 -10.625 14.991 5.474 1.00 0.00 C ATOM 77 C ASP A 48 -9.346 14.472 6.140 1.00 0.00 C ATOM 78 O ASP A 48 -8.457 13.917 5.479 1.00 0.00 O ATOM 79 CB ASP A 48 -11.425 13.826 4.847 1.00 0.00 C ATOM 80 CG ASP A 48 -11.753 12.684 5.830 1.00 0.00 C ATOM 81 OD1 ASP A 48 -12.134 12.963 7.002 1.00 0.00 O ATOM 82 OD2 ASP A 48 -11.665 11.508 5.434 1.00 0.00 O ATOM 0 H ASP A 48 -10.338 15.679 3.510 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.250 15.452 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.357 14.218 4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.857 13.419 4.011 1.00 0.00 H new ATOM 87 N LYS A 49 -9.287 14.666 7.453 1.00 0.00 N ATOM 88 CA LYS A 49 -8.172 14.257 8.309 1.00 0.00 C ATOM 89 C LYS A 49 -8.671 13.253 9.362 1.00 0.00 C ATOM 90 O LYS A 49 -7.963 12.305 9.731 1.00 0.00 O ATOM 91 CB LYS A 49 -7.562 15.527 8.984 1.00 0.00 C ATOM 92 CG LYS A 49 -6.404 15.266 9.973 1.00 0.00 C ATOM 93 CD LYS A 49 -5.215 14.536 9.319 1.00 0.00 C ATOM 94 CE LYS A 49 -4.118 14.180 10.332 1.00 0.00 C ATOM 95 NZ LYS A 49 -2.985 13.482 9.689 1.00 0.00 N ATOM 0 H LYS A 49 -10.036 15.126 7.970 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.398 13.768 7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.204 16.196 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.357 16.052 9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.061 16.216 10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.773 14.673 10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.571 13.625 8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.792 15.165 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.759 15.089 10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.537 13.548 11.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.264 13.258 10.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.323 12.602 9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.569 14.095 8.959 1.00 0.00 H new ATOM 109 N LEU A 50 -9.919 13.460 9.817 1.00 0.00 N ATOM 110 CA LEU A 50 -10.487 12.751 10.975 1.00 0.00 C ATOM 111 C LEU A 50 -10.921 11.315 10.638 1.00 0.00 C ATOM 112 O LEU A 50 -10.802 10.419 11.484 1.00 0.00 O ATOM 113 CB LEU A 50 -11.656 13.573 11.567 1.00 0.00 C ATOM 114 CG LEU A 50 -11.261 14.979 12.125 1.00 0.00 C ATOM 115 CD1 LEU A 50 -12.489 15.734 12.667 1.00 0.00 C ATOM 116 CD2 LEU A 50 -10.150 14.870 13.203 1.00 0.00 C ATOM 0 H LEU A 50 -10.563 14.126 9.390 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.702 12.656 11.725 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.414 13.705 10.795 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.115 12.996 12.370 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.858 15.557 11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.179 16.707 13.047 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.214 15.872 11.865 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.944 15.158 13.473 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.900 15.866 13.569 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.506 14.257 14.031 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.263 14.410 12.766 1.00 0.00 H new ATOM 128 N HIS A 51 -11.425 11.087 9.412 1.00 0.00 N ATOM 129 CA HIS A 51 -11.799 9.729 8.960 1.00 0.00 C ATOM 130 C HIS A 51 -10.579 9.040 8.325 1.00 0.00 C ATOM 131 O HIS A 51 -10.447 8.978 7.094 1.00 0.00 O ATOM 132 CB HIS A 51 -12.995 9.753 7.967 1.00 0.00 C ATOM 133 CG HIS A 51 -14.228 10.438 8.484 1.00 0.00 C ATOM 134 ND1 HIS A 51 -14.651 11.662 8.016 1.00 0.00 N ATOM 135 CD2 HIS A 51 -15.152 10.051 9.395 1.00 0.00 C ATOM 136 CE1 HIS A 51 -15.772 11.999 8.615 1.00 0.00 C ATOM 137 NE2 HIS A 51 -16.100 11.042 9.457 1.00 0.00 N ATOM 0 H HIS A 51 -11.583 11.818 8.719 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.122 9.161 9.832 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.678 10.249 7.050 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.250 8.727 7.702 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -14.169 12.221 7.313 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -15.145 9.134 9.966 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.330 12.908 8.445 1.00 0.00 H new ATOM 146 N THR A 52 -9.656 8.581 9.180 1.00 0.00 N ATOM 147 CA THR A 52 -8.518 7.766 8.743 1.00 0.00 C ATOM 148 C THR A 52 -9.036 6.361 8.380 1.00 0.00 C ATOM 149 O THR A 52 -9.677 5.702 9.205 1.00 0.00 O ATOM 150 CB THR A 52 -7.414 7.668 9.850 1.00 0.00 C ATOM 151 OG1 THR A 52 -7.009 8.991 10.248 1.00 0.00 O ATOM 152 CG2 THR A 52 -6.175 6.874 9.368 1.00 0.00 C ATOM 0 H THR A 52 -9.677 8.762 10.184 1.00 0.00 H new ATOM 0 HA THR A 52 -8.058 8.238 7.875 1.00 0.00 H new ATOM 0 HB THR A 52 -7.844 7.133 10.697 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.320 8.927 10.942 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.436 6.832 10.168 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.474 5.862 9.097 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.741 7.369 8.499 1.00 0.00 H new ATOM 160 N VAL A 53 -8.776 5.927 7.142 1.00 0.00 N ATOM 161 CA VAL A 53 -9.230 4.624 6.633 1.00 0.00 C ATOM 162 C VAL A 53 -8.037 3.662 6.675 1.00 0.00 C ATOM 163 O VAL A 53 -6.905 4.083 6.445 1.00 0.00 O ATOM 164 CB VAL A 53 -9.798 4.733 5.170 1.00 0.00 C ATOM 165 CG1 VAL A 53 -10.397 3.387 4.679 1.00 0.00 C ATOM 166 CG2 VAL A 53 -10.839 5.868 5.063 1.00 0.00 C ATOM 0 H VAL A 53 -8.244 6.469 6.462 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.044 4.256 7.257 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.959 4.974 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.778 3.507 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.623 2.620 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.211 3.089 5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.215 5.921 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.666 5.669 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.372 6.817 5.327 1.00 0.00 H new ATOM 176 N ARG A 54 -8.292 2.392 6.983 1.00 0.00 N ATOM 177 CA ARG A 54 -7.250 1.367 7.124 1.00 0.00 C ATOM 178 C ARG A 54 -7.715 0.061 6.473 1.00 0.00 C ATOM 179 O ARG A 54 -8.868 -0.346 6.643 1.00 0.00 O ATOM 180 CB ARG A 54 -6.906 1.176 8.625 1.00 0.00 C ATOM 181 CG ARG A 54 -6.008 -0.041 8.950 1.00 0.00 C ATOM 182 CD ARG A 54 -5.502 -0.033 10.402 1.00 0.00 C ATOM 183 NE ARG A 54 -6.587 0.202 11.371 1.00 0.00 N ATOM 184 CZ ARG A 54 -6.451 0.847 12.535 1.00 0.00 C ATOM 185 NH1 ARG A 54 -5.277 1.294 12.934 1.00 0.00 N ATOM 186 NH2 ARG A 54 -7.502 1.043 13.296 1.00 0.00 N ATOM 0 H ARG A 54 -9.235 2.038 7.144 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.342 1.686 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.411 2.078 8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.837 1.079 9.184 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.567 -0.959 8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.155 -0.049 8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.021 -0.986 10.622 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.743 0.741 10.516 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.513 -0.155 11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.452 1.150 12.352 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.194 1.784 13.825 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.417 0.704 12.999 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.404 1.534 14.185 1.00 0.00 H new ATOM 200 N LEU A 55 -6.809 -0.579 5.721 1.00 0.00 N ATOM 201 CA LEU A 55 -7.086 -1.839 5.017 1.00 0.00 C ATOM 202 C LEU A 55 -6.064 -2.904 5.403 1.00 0.00 C ATOM 203 O LEU A 55 -4.985 -2.606 5.937 1.00 0.00 O ATOM 204 CB LEU A 55 -7.065 -1.633 3.484 1.00 0.00 C ATOM 205 CG LEU A 55 -8.128 -0.664 2.908 1.00 0.00 C ATOM 206 CD1 LEU A 55 -7.890 -0.400 1.403 1.00 0.00 C ATOM 207 CD2 LEU A 55 -9.553 -1.198 3.165 1.00 0.00 C ATOM 0 H LEU A 55 -5.859 -0.236 5.583 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.081 -2.173 5.312 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.078 -1.266 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.193 -2.604 3.006 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.029 0.290 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.652 0.283 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.904 0.044 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.946 -1.341 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.283 -0.501 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.669 -2.171 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.715 -1.300 4.238 1.00 0.00 H new ATOM 219 N PHE A 56 -6.429 -4.143 5.084 1.00 0.00 N ATOM 220 CA PHE A 56 -5.663 -5.359 5.401 1.00 0.00 C ATOM 221 C PHE A 56 -5.713 -6.280 4.171 1.00 0.00 C ATOM 222 O PHE A 56 -6.797 -6.502 3.607 1.00 0.00 O ATOM 223 CB PHE A 56 -6.271 -6.096 6.631 1.00 0.00 C ATOM 224 CG PHE A 56 -6.432 -5.231 7.883 1.00 0.00 C ATOM 225 CD1 PHE A 56 -5.362 -5.010 8.743 1.00 0.00 C ATOM 226 CD2 PHE A 56 -7.652 -4.628 8.190 1.00 0.00 C ATOM 227 CE1 PHE A 56 -5.508 -4.224 9.870 1.00 0.00 C ATOM 228 CE2 PHE A 56 -7.797 -3.842 9.319 1.00 0.00 C ATOM 229 CZ PHE A 56 -6.723 -3.639 10.156 1.00 0.00 C ATOM 0 H PHE A 56 -7.294 -4.342 4.581 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.635 -5.091 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -7.247 -6.493 6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.638 -6.949 6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.404 -5.459 8.527 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.498 -4.777 7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.667 -4.067 10.529 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.751 -3.388 9.543 1.00 0.00 H new ATOM 0 HZ PHE A 56 -6.832 -3.022 11.036 1.00 0.00 H new ATOM 239 N GLY A 57 -4.555 -6.804 3.762 1.00 0.00 N ATOM 240 CA GLY A 57 -4.462 -7.652 2.575 1.00 0.00 C ATOM 241 C GLY A 57 -3.018 -7.941 2.210 1.00 0.00 C ATOM 242 O GLY A 57 -2.115 -7.755 3.039 1.00 0.00 O ATOM 0 H GLY A 57 -3.666 -6.654 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.988 -8.590 2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.959 -7.163 1.737 1.00 0.00 H new ATOM 246 N THR A 58 -2.794 -8.365 0.964 1.00 0.00 N ATOM 247 CA THR A 58 -1.459 -8.738 0.475 1.00 0.00 C ATOM 248 C THR A 58 -1.119 -7.908 -0.781 1.00 0.00 C ATOM 249 O THR A 58 -2.014 -7.558 -1.552 1.00 0.00 O ATOM 250 CB THR A 58 -1.405 -10.273 0.163 1.00 0.00 C ATOM 251 OG1 THR A 58 -2.063 -11.001 1.219 1.00 0.00 O ATOM 252 CG2 THR A 58 0.038 -10.793 0.035 1.00 0.00 C ATOM 0 H THR A 58 -3.530 -8.460 0.264 1.00 0.00 H new ATOM 0 HA THR A 58 -0.718 -8.525 1.246 1.00 0.00 H new ATOM 0 HB THR A 58 -1.908 -10.427 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.031 -11.961 1.024 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.022 -11.861 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.544 -10.266 -0.774 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.571 -10.620 0.970 1.00 0.00 H new ATOM 260 N VAL A 59 0.163 -7.574 -0.945 1.00 0.00 N ATOM 261 CA VAL A 59 0.670 -6.798 -2.088 1.00 0.00 C ATOM 262 C VAL A 59 0.727 -7.677 -3.344 1.00 0.00 C ATOM 263 O VAL A 59 1.309 -8.772 -3.317 1.00 0.00 O ATOM 264 CB VAL A 59 2.099 -6.223 -1.777 1.00 0.00 C ATOM 265 CG1 VAL A 59 2.710 -5.459 -2.981 1.00 0.00 C ATOM 266 CG2 VAL A 59 2.060 -5.328 -0.520 1.00 0.00 C ATOM 0 H VAL A 59 0.891 -7.837 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.012 -5.966 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 59 2.751 -7.075 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.697 -5.083 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.799 -6.134 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.064 -4.622 -3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.058 -4.939 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.373 -4.498 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.721 -5.915 0.334 1.00 0.00 H new ATOM 276 N ALA A 60 0.120 -7.184 -4.434 1.00 0.00 N ATOM 277 CA ALA A 60 0.170 -7.834 -5.746 1.00 0.00 C ATOM 278 C ALA A 60 1.543 -7.626 -6.384 1.00 0.00 C ATOM 279 O ALA A 60 2.127 -6.539 -6.289 1.00 0.00 O ATOM 280 CB ALA A 60 -0.934 -7.296 -6.671 1.00 0.00 C ATOM 0 H ALA A 60 -0.421 -6.319 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 60 0.002 -8.902 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.874 -7.795 -7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.909 -7.488 -6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.803 -6.223 -6.808 1.00 0.00 H new ATOM 286 N ALA A 61 2.040 -8.685 -7.032 1.00 0.00 N ATOM 287 CA ALA A 61 3.303 -8.655 -7.781 1.00 0.00 C ATOM 288 C ALA A 61 3.147 -7.970 -9.153 1.00 0.00 C ATOM 289 O ALA A 61 4.136 -7.755 -9.855 1.00 0.00 O ATOM 290 CB ALA A 61 3.847 -10.083 -7.930 1.00 0.00 C ATOM 0 H ALA A 61 1.575 -9.593 -7.052 1.00 0.00 H new ATOM 0 HA ALA A 61 4.020 -8.057 -7.218 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.784 -10.059 -8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.022 -10.511 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.122 -10.694 -8.467 1.00 0.00 H new ATOM 296 N ASP A 62 1.895 -7.641 -9.528 1.00 0.00 N ATOM 297 CA ASP A 62 1.584 -6.884 -10.752 1.00 0.00 C ATOM 298 C ASP A 62 0.981 -5.518 -10.370 1.00 0.00 C ATOM 299 O ASP A 62 -0.004 -5.448 -9.624 1.00 0.00 O ATOM 300 CB ASP A 62 0.627 -7.692 -11.667 1.00 0.00 C ATOM 301 CG ASP A 62 0.260 -6.956 -12.974 1.00 0.00 C ATOM 302 OD1 ASP A 62 1.177 -6.469 -13.673 1.00 0.00 O ATOM 303 OD2 ASP A 62 -0.945 -6.861 -13.315 1.00 0.00 O ATOM 0 H ASP A 62 1.069 -7.895 -8.986 1.00 0.00 H new ATOM 0 HA ASP A 62 2.501 -6.713 -11.315 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.093 -8.646 -11.915 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.287 -7.916 -11.116 1.00 0.00 H new ATOM 308 N GLY A 63 1.613 -4.441 -10.869 1.00 0.00 N ATOM 309 CA GLY A 63 1.166 -3.064 -10.622 1.00 0.00 C ATOM 310 C GLY A 63 2.022 -2.318 -9.600 1.00 0.00 C ATOM 311 O GLY A 63 1.760 -1.140 -9.309 1.00 0.00 O ATOM 0 H GLY A 63 2.446 -4.503 -11.454 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.175 -2.513 -11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.133 -3.083 -10.274 1.00 0.00 H new ATOM 315 N LEU A 64 3.040 -3.009 -9.055 1.00 0.00 N ATOM 316 CA LEU A 64 3.955 -2.446 -8.052 1.00 0.00 C ATOM 317 C LEU A 64 4.963 -1.505 -8.757 1.00 0.00 C ATOM 318 O LEU A 64 5.975 -1.952 -9.306 1.00 0.00 O ATOM 319 CB LEU A 64 4.656 -3.595 -7.256 1.00 0.00 C ATOM 320 CG LEU A 64 5.255 -3.225 -5.845 1.00 0.00 C ATOM 321 CD1 LEU A 64 5.603 -4.492 -5.045 1.00 0.00 C ATOM 322 CD2 LEU A 64 6.497 -2.308 -5.936 1.00 0.00 C ATOM 0 H LEU A 64 3.250 -3.977 -9.300 1.00 0.00 H new ATOM 0 HA LEU A 64 3.402 -1.854 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.935 -4.400 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.462 -3.992 -7.873 1.00 0.00 H new ATOM 0 HG LEU A 64 4.476 -2.667 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.014 -4.209 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.702 -5.088 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.340 -5.078 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.862 -2.089 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.279 -2.810 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.226 -1.377 -6.434 1.00 0.00 H new ATOM 334 N THR A 65 4.645 -0.205 -8.742 1.00 0.00 N ATOM 335 CA THR A 65 5.455 0.854 -9.353 1.00 0.00 C ATOM 336 C THR A 65 5.919 1.848 -8.273 1.00 0.00 C ATOM 337 O THR A 65 5.093 2.469 -7.613 1.00 0.00 O ATOM 338 CB THR A 65 4.632 1.592 -10.458 1.00 0.00 C ATOM 339 OG1 THR A 65 4.184 0.628 -11.425 1.00 0.00 O ATOM 340 CG2 THR A 65 5.449 2.693 -11.166 1.00 0.00 C ATOM 0 H THR A 65 3.799 0.147 -8.295 1.00 0.00 H new ATOM 0 HA THR A 65 6.334 0.407 -9.818 1.00 0.00 H new ATOM 0 HB THR A 65 3.786 2.080 -9.975 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.107 1.057 -12.303 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.831 3.174 -11.924 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.770 3.435 -10.435 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.324 2.249 -11.640 1.00 0.00 H new ATOM 348 N MET A 66 7.243 2.009 -8.128 1.00 0.00 N ATOM 349 CA MET A 66 7.842 2.935 -7.151 1.00 0.00 C ATOM 350 C MET A 66 7.885 4.335 -7.783 1.00 0.00 C ATOM 351 O MET A 66 8.245 4.457 -8.960 1.00 0.00 O ATOM 352 CB MET A 66 9.266 2.461 -6.765 1.00 0.00 C ATOM 353 CG MET A 66 9.310 1.166 -5.950 1.00 0.00 C ATOM 354 SD MET A 66 8.705 1.378 -4.262 1.00 0.00 S ATOM 355 CE MET A 66 8.939 -0.268 -3.588 1.00 0.00 C ATOM 0 H MET A 66 7.930 1.501 -8.685 1.00 0.00 H new ATOM 0 HA MET A 66 7.245 2.961 -6.239 1.00 0.00 H new ATOM 0 HB2 MET A 66 9.847 2.321 -7.677 1.00 0.00 H new ATOM 0 HB3 MET A 66 9.755 3.250 -6.194 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.712 0.406 -6.452 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.335 0.796 -5.920 1.00 0.00 H new ATOM 0 HE1 MET A 66 7.972 -0.690 -3.315 1.00 0.00 H new ATOM 0 HE2 MET A 66 9.414 -0.903 -4.336 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.573 -0.212 -2.703 1.00 0.00 H new ATOM 365 N LEU A 67 7.508 5.371 -7.006 1.00 0.00 N ATOM 366 CA LEU A 67 7.411 6.758 -7.506 1.00 0.00 C ATOM 367 C LEU A 67 8.774 7.267 -8.036 1.00 0.00 C ATOM 368 O LEU A 67 9.796 7.186 -7.343 1.00 0.00 O ATOM 369 CB LEU A 67 6.856 7.714 -6.410 1.00 0.00 C ATOM 370 CG LEU A 67 5.388 7.444 -5.926 1.00 0.00 C ATOM 371 CD1 LEU A 67 4.928 8.510 -4.901 1.00 0.00 C ATOM 372 CD2 LEU A 67 4.403 7.352 -7.114 1.00 0.00 C ATOM 0 H LEU A 67 7.264 5.271 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 67 6.709 6.753 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.516 7.661 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.908 8.735 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 67 5.386 6.476 -5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.907 8.295 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.588 8.489 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.965 9.497 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.397 7.164 -6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.414 8.290 -7.669 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.702 6.537 -7.773 1.00 0.00 H new ATOM 384 N ASP A 68 8.757 7.784 -9.276 1.00 0.00 N ATOM 385 CA ASP A 68 9.969 8.197 -10.006 1.00 0.00 C ATOM 386 C ASP A 68 10.555 9.478 -9.378 1.00 0.00 C ATOM 387 O ASP A 68 9.882 10.513 -9.318 1.00 0.00 O ATOM 388 CB ASP A 68 9.655 8.377 -11.530 1.00 0.00 C ATOM 389 CG ASP A 68 8.489 9.349 -11.808 1.00 0.00 C ATOM 390 OD1 ASP A 68 7.319 8.958 -11.604 1.00 0.00 O ATOM 391 OD2 ASP A 68 8.733 10.511 -12.204 1.00 0.00 O ATOM 0 H ASP A 68 7.896 7.928 -9.804 1.00 0.00 H new ATOM 0 HA ASP A 68 10.724 7.415 -9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.549 8.740 -12.037 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.417 7.404 -11.961 1.00 0.00 H new ATOM 396 N GLY A 69 11.794 9.366 -8.850 1.00 0.00 N ATOM 397 CA GLY A 69 12.484 10.481 -8.191 1.00 0.00 C ATOM 398 C GLY A 69 11.756 10.999 -6.949 1.00 0.00 C ATOM 399 O GLY A 69 11.809 12.196 -6.641 1.00 0.00 O ATOM 0 H GLY A 69 12.336 8.502 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.487 10.161 -7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.599 11.299 -8.903 1.00 0.00 H new ATOM 403 N ALA A 70 11.083 10.082 -6.236 1.00 0.00 N ATOM 404 CA ALA A 70 10.261 10.410 -5.061 1.00 0.00 C ATOM 405 C ALA A 70 10.121 9.172 -4.149 1.00 0.00 C ATOM 406 O ALA A 70 9.932 8.059 -4.660 1.00 0.00 O ATOM 407 CB ALA A 70 8.871 10.914 -5.506 1.00 0.00 C ATOM 0 H ALA A 70 11.094 9.087 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 70 10.752 11.203 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.272 11.153 -4.627 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.987 11.807 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.371 10.138 -6.085 1.00 0.00 H new ATOM 413 N PRO A 71 10.249 9.331 -2.788 1.00 0.00 N ATOM 414 CA PRO A 71 9.931 8.250 -1.833 1.00 0.00 C ATOM 415 C PRO A 71 8.422 7.920 -1.864 1.00 0.00 C ATOM 416 O PRO A 71 7.585 8.735 -1.454 1.00 0.00 O ATOM 417 CB PRO A 71 10.382 8.823 -0.459 1.00 0.00 C ATOM 418 CG PRO A 71 10.355 10.311 -0.639 1.00 0.00 C ATOM 419 CD PRO A 71 10.742 10.551 -2.086 1.00 0.00 C ATOM 0 HA PRO A 71 10.431 7.309 -2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.711 8.509 0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 71 11.380 8.474 -0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.365 10.714 -0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 71 11.052 10.801 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.278 11.455 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 71 11.820 10.670 -2.198 1.00 0.00 H new ATOM 427 N GLY A 72 8.089 6.743 -2.401 1.00 0.00 N ATOM 428 CA GLY A 72 6.711 6.272 -2.457 1.00 0.00 C ATOM 429 C GLY A 72 6.547 5.068 -3.362 1.00 0.00 C ATOM 430 O GLY A 72 7.476 4.688 -4.081 1.00 0.00 O ATOM 0 H GLY A 72 8.766 6.096 -2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.377 6.015 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.069 7.079 -2.810 1.00 0.00 H new ATOM 434 N VAL A 73 5.357 4.470 -3.329 1.00 0.00 N ATOM 435 CA VAL A 73 5.024 3.287 -4.117 1.00 0.00 C ATOM 436 C VAL A 73 3.521 3.275 -4.441 1.00 0.00 C ATOM 437 O VAL A 73 2.703 3.866 -3.728 1.00 0.00 O ATOM 438 CB VAL A 73 5.438 1.955 -3.372 1.00 0.00 C ATOM 439 CG1 VAL A 73 4.631 1.739 -2.062 1.00 0.00 C ATOM 440 CG2 VAL A 73 5.329 0.728 -4.309 1.00 0.00 C ATOM 0 H VAL A 73 4.588 4.799 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 73 5.591 3.333 -5.047 1.00 0.00 H new ATOM 0 HB VAL A 73 6.484 2.065 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.951 0.812 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.807 2.574 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.568 1.679 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.621 -0.171 -3.766 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.301 0.625 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.989 0.865 -5.166 1.00 0.00 H new ATOM 450 N ARG A 74 3.192 2.617 -5.539 1.00 0.00 N ATOM 451 CA ARG A 74 1.837 2.277 -5.941 1.00 0.00 C ATOM 452 C ARG A 74 1.805 0.761 -6.149 1.00 0.00 C ATOM 453 O ARG A 74 2.780 0.191 -6.623 1.00 0.00 O ATOM 454 CB ARG A 74 1.451 3.002 -7.253 1.00 0.00 C ATOM 455 CG ARG A 74 0.005 2.711 -7.737 1.00 0.00 C ATOM 456 CD ARG A 74 -0.206 3.081 -9.210 1.00 0.00 C ATOM 457 NE ARG A 74 0.696 2.323 -10.091 1.00 0.00 N ATOM 458 CZ ARG A 74 0.783 2.461 -11.423 1.00 0.00 C ATOM 459 NH1 ARG A 74 0.038 3.348 -12.070 1.00 0.00 N ATOM 460 NH2 ARG A 74 1.632 1.712 -12.095 1.00 0.00 N ATOM 0 H ARG A 74 3.893 2.290 -6.204 1.00 0.00 H new ATOM 0 HA ARG A 74 1.123 2.588 -5.178 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.565 4.076 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.150 2.710 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -0.216 1.653 -7.596 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.700 3.269 -7.121 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.241 2.884 -9.491 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.036 4.149 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 74 1.307 1.634 -9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -0.614 3.939 -11.555 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.118 3.439 -13.083 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.215 1.035 -11.603 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.706 1.808 -13.108 1.00 0.00 H new ATOM 474 N PHE A 75 0.709 0.117 -5.771 1.00 0.00 N ATOM 475 CA PHE A 75 0.513 -1.328 -5.968 1.00 0.00 C ATOM 476 C PHE A 75 -0.974 -1.647 -5.909 1.00 0.00 C ATOM 477 O PHE A 75 -1.782 -0.776 -5.594 1.00 0.00 O ATOM 478 CB PHE A 75 1.304 -2.149 -4.902 1.00 0.00 C ATOM 479 CG PHE A 75 0.897 -1.892 -3.439 1.00 0.00 C ATOM 480 CD1 PHE A 75 1.368 -0.771 -2.748 1.00 0.00 C ATOM 481 CD2 PHE A 75 0.056 -2.775 -2.756 1.00 0.00 C ATOM 482 CE1 PHE A 75 1.012 -0.544 -1.427 1.00 0.00 C ATOM 483 CE2 PHE A 75 -0.299 -2.546 -1.437 1.00 0.00 C ATOM 484 CZ PHE A 75 0.180 -1.435 -0.773 1.00 0.00 C ATOM 0 H PHE A 75 -0.079 0.578 -5.316 1.00 0.00 H new ATOM 0 HA PHE A 75 0.899 -1.610 -6.948 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.176 -3.210 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.366 -1.927 -5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.019 -0.071 -3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.323 -3.649 -3.265 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.384 0.328 -0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.952 -3.238 -0.927 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.095 -1.261 0.257 1.00 0.00 H new ATOM 494 N ARG A 76 -1.350 -2.891 -6.211 1.00 0.00 N ATOM 495 CA ARG A 76 -2.726 -3.351 -6.013 1.00 0.00 C ATOM 496 C ARG A 76 -2.782 -4.184 -4.736 1.00 0.00 C ATOM 497 O ARG A 76 -2.152 -5.241 -4.659 1.00 0.00 O ATOM 498 CB ARG A 76 -3.253 -4.162 -7.227 1.00 0.00 C ATOM 499 CG ARG A 76 -3.455 -3.331 -8.500 1.00 0.00 C ATOM 500 CD ARG A 76 -4.307 -4.044 -9.563 1.00 0.00 C ATOM 501 NE ARG A 76 -3.838 -5.406 -9.858 1.00 0.00 N ATOM 502 CZ ARG A 76 -3.011 -5.761 -10.855 1.00 0.00 C ATOM 503 NH1 ARG A 76 -2.454 -4.851 -11.654 1.00 0.00 N ATOM 504 NH2 ARG A 76 -2.737 -7.034 -11.034 1.00 0.00 N ATOM 0 H ARG A 76 -0.722 -3.598 -6.593 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.376 -2.481 -5.920 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.553 -4.970 -7.441 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.201 -4.626 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.931 -2.386 -8.237 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.481 -3.090 -8.927 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.341 -4.088 -9.222 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.299 -3.456 -10.481 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.172 -6.152 -9.248 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.653 -3.860 -11.515 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.829 -5.145 -12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.151 -7.736 -10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.111 -7.320 -11.787 1.00 0.00 H new ATOM 518 N LEU A 77 -3.484 -3.678 -3.707 1.00 0.00 N ATOM 519 CA LEU A 77 -3.762 -4.468 -2.513 1.00 0.00 C ATOM 520 C LEU A 77 -4.830 -5.505 -2.857 1.00 0.00 C ATOM 521 O LEU A 77 -5.975 -5.148 -3.170 1.00 0.00 O ATOM 522 CB LEU A 77 -4.242 -3.606 -1.315 1.00 0.00 C ATOM 523 CG LEU A 77 -4.370 -4.387 0.039 1.00 0.00 C ATOM 524 CD1 LEU A 77 -2.980 -4.673 0.646 1.00 0.00 C ATOM 525 CD2 LEU A 77 -5.283 -3.657 1.047 1.00 0.00 C ATOM 0 H LEU A 77 -3.863 -2.731 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.832 -4.944 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.546 -2.778 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.211 -3.171 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.845 -5.342 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.097 -5.215 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.396 -5.275 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.464 -3.731 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.342 -4.235 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.872 -2.671 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.281 -3.549 0.622 1.00 0.00 H new ATOM 537 N GLU A 78 -4.426 -6.773 -2.859 1.00 0.00 N ATOM 538 CA GLU A 78 -5.351 -7.896 -2.922 1.00 0.00 C ATOM 539 C GLU A 78 -6.048 -7.988 -1.561 1.00 0.00 C ATOM 540 O GLU A 78 -5.394 -8.256 -0.552 1.00 0.00 O ATOM 541 CB GLU A 78 -4.572 -9.194 -3.268 1.00 0.00 C ATOM 542 CG GLU A 78 -3.757 -9.099 -4.577 1.00 0.00 C ATOM 543 CD GLU A 78 -2.952 -10.372 -4.875 1.00 0.00 C ATOM 544 OE1 GLU A 78 -3.503 -11.307 -5.493 1.00 0.00 O ATOM 545 OE2 GLU A 78 -1.768 -10.449 -4.493 1.00 0.00 O ATOM 0 H GLU A 78 -3.445 -7.049 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.101 -7.759 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.896 -9.432 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.278 -10.020 -3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.435 -8.902 -5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.075 -8.251 -4.514 1.00 0.00 H new ATOM 552 N ASP A 79 -7.346 -7.667 -1.536 1.00 0.00 N ATOM 553 CA ASP A 79 -8.136 -7.614 -0.293 1.00 0.00 C ATOM 554 C ASP A 79 -8.239 -8.994 0.365 1.00 0.00 C ATOM 555 O ASP A 79 -8.284 -10.022 -0.323 1.00 0.00 O ATOM 556 CB ASP A 79 -9.544 -7.051 -0.578 1.00 0.00 C ATOM 557 CG ASP A 79 -9.530 -5.561 -0.960 1.00 0.00 C ATOM 558 OD1 ASP A 79 -9.030 -5.216 -2.060 1.00 0.00 O ATOM 559 OD2 ASP A 79 -10.053 -4.730 -0.181 1.00 0.00 O ATOM 0 H ASP A 79 -7.881 -7.436 -2.373 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.621 -6.951 0.402 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.001 -7.623 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.170 -7.188 0.304 1.00 0.00 H new ATOM 564 N LYS A 80 -8.273 -8.991 1.704 1.00 0.00 N ATOM 565 CA LYS A 80 -8.340 -10.212 2.521 1.00 0.00 C ATOM 566 C LYS A 80 -9.686 -10.947 2.305 1.00 0.00 C ATOM 567 O LYS A 80 -9.734 -12.179 2.268 1.00 0.00 O ATOM 568 CB LYS A 80 -8.145 -9.837 4.011 1.00 0.00 C ATOM 569 CG LYS A 80 -8.060 -11.033 4.985 1.00 0.00 C ATOM 570 CD LYS A 80 -7.819 -10.594 6.452 1.00 0.00 C ATOM 571 CE LYS A 80 -6.465 -9.882 6.660 1.00 0.00 C ATOM 572 NZ LYS A 80 -5.310 -10.777 6.394 1.00 0.00 N ATOM 0 H LYS A 80 -8.255 -8.134 2.257 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.545 -10.893 2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -7.233 -9.248 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.971 -9.196 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.984 -11.608 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.253 -11.695 4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.624 -9.927 6.762 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.864 -11.470 7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.408 -9.015 6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.406 -9.511 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.425 -10.276 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.384 -11.625 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.311 -11.057 5.392 1.00 0.00 H new ATOM 586 N ASP A 81 -10.762 -10.157 2.152 1.00 0.00 N ATOM 587 CA ASP A 81 -12.117 -10.669 1.883 1.00 0.00 C ATOM 588 C ASP A 81 -12.330 -10.837 0.376 1.00 0.00 C ATOM 589 O ASP A 81 -12.654 -11.935 -0.098 1.00 0.00 O ATOM 590 CB ASP A 81 -13.187 -9.711 2.471 1.00 0.00 C ATOM 591 CG ASP A 81 -13.114 -9.599 3.999 1.00 0.00 C ATOM 592 OD1 ASP A 81 -12.251 -8.844 4.508 1.00 0.00 O ATOM 593 OD2 ASP A 81 -13.907 -10.265 4.700 1.00 0.00 O ATOM 0 H ASP A 81 -10.716 -9.140 2.212 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.221 -11.642 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.061 -8.721 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.178 -10.062 2.185 1.00 0.00 H new ATOM 598 N ASN A 82 -12.118 -9.740 -0.380 1.00 0.00 N ATOM 599 CA ASN A 82 -12.381 -9.714 -1.836 1.00 0.00 C ATOM 600 C ASN A 82 -11.281 -10.455 -2.613 1.00 0.00 C ATOM 601 O ASN A 82 -10.133 -10.005 -2.656 1.00 0.00 O ATOM 602 CB ASN A 82 -12.515 -8.259 -2.367 1.00 0.00 C ATOM 603 CG ASN A 82 -13.796 -7.551 -1.925 1.00 0.00 C ATOM 604 OD1 ASN A 82 -14.825 -8.183 -1.689 1.00 0.00 O ATOM 605 ND2 ASN A 82 -13.750 -6.229 -1.837 1.00 0.00 N ATOM 0 H ASN A 82 -11.765 -8.859 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 82 -13.329 -10.227 -1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -11.656 -7.679 -2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -12.479 -8.276 -3.456 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.583 -5.707 -1.567 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.881 -5.734 -2.039 1.00 0.00 H new ATOM 612 N THR A 83 -11.654 -11.587 -3.233 1.00 0.00 N ATOM 613 CA THR A 83 -10.738 -12.401 -4.051 1.00 0.00 C ATOM 614 C THR A 83 -10.745 -11.932 -5.524 1.00 0.00 C ATOM 615 O THR A 83 -9.769 -12.140 -6.256 1.00 0.00 O ATOM 616 CB THR A 83 -11.115 -13.919 -3.958 1.00 0.00 C ATOM 617 OG1 THR A 83 -10.119 -14.719 -4.612 1.00 0.00 O ATOM 618 CG2 THR A 83 -12.503 -14.233 -4.566 1.00 0.00 C ATOM 0 H THR A 83 -12.600 -11.964 -3.181 1.00 0.00 H new ATOM 0 HA THR A 83 -9.730 -12.270 -3.658 1.00 0.00 H new ATOM 0 HB THR A 83 -11.159 -14.163 -2.897 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.365 -15.665 -4.546 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.708 -15.299 -4.472 1.00 0.00 H new ATOM 0 HG22 THR A 83 -13.269 -13.668 -4.035 1.00 0.00 H new ATOM 0 HG23 THR A 83 -12.510 -13.953 -5.619 1.00 0.00 H new ATOM 626 N SER A 84 -11.857 -11.294 -5.937 1.00 0.00 N ATOM 627 CA SER A 84 -12.081 -10.840 -7.328 1.00 0.00 C ATOM 628 C SER A 84 -11.824 -9.327 -7.489 1.00 0.00 C ATOM 629 O SER A 84 -11.898 -8.799 -8.610 1.00 0.00 O ATOM 630 CB SER A 84 -13.531 -11.184 -7.756 1.00 0.00 C ATOM 631 OG SER A 84 -13.823 -12.561 -7.559 1.00 0.00 O ATOM 0 H SER A 84 -12.633 -11.076 -5.312 1.00 0.00 H new ATOM 0 HA SER A 84 -11.371 -11.360 -7.971 1.00 0.00 H new ATOM 0 HB2 SER A 84 -14.233 -10.577 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 84 -13.671 -10.929 -8.806 1.00 0.00 H new ATOM 0 HG SER A 84 -14.745 -12.743 -7.837 1.00 0.00 H new ATOM 637 N LYS A 85 -11.512 -8.628 -6.375 1.00 0.00 N ATOM 638 CA LYS A 85 -11.314 -7.163 -6.375 1.00 0.00 C ATOM 639 C LYS A 85 -9.957 -6.795 -5.749 1.00 0.00 C ATOM 640 O LYS A 85 -9.634 -7.246 -4.641 1.00 0.00 O ATOM 641 CB LYS A 85 -12.467 -6.457 -5.599 1.00 0.00 C ATOM 642 CG LYS A 85 -13.908 -6.632 -6.173 1.00 0.00 C ATOM 643 CD LYS A 85 -14.310 -5.581 -7.251 1.00 0.00 C ATOM 644 CE LYS A 85 -13.537 -5.707 -8.575 1.00 0.00 C ATOM 645 NZ LYS A 85 -13.895 -4.644 -9.538 1.00 0.00 N ATOM 0 H LYS A 85 -11.391 -9.060 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.323 -6.821 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.462 -6.825 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.245 -5.391 -5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.993 -7.628 -6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -14.621 -6.580 -5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.376 -5.677 -7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -14.152 -4.582 -6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.467 -5.666 -8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -13.740 -6.681 -9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.349 -4.771 -10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.911 -4.698 -9.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.677 -3.714 -9.126 1.00 0.00 H new ATOM 659 N THR A 86 -9.171 -5.989 -6.484 1.00 0.00 N ATOM 660 CA THR A 86 -7.902 -5.405 -6.007 1.00 0.00 C ATOM 661 C THR A 86 -7.972 -3.883 -6.190 1.00 0.00 C ATOM 662 O THR A 86 -8.378 -3.407 -7.256 1.00 0.00 O ATOM 663 CB THR A 86 -6.663 -5.961 -6.795 1.00 0.00 C ATOM 664 OG1 THR A 86 -6.813 -5.711 -8.196 1.00 0.00 O ATOM 665 CG2 THR A 86 -6.469 -7.464 -6.588 1.00 0.00 C ATOM 0 H THR A 86 -9.402 -5.720 -7.441 1.00 0.00 H new ATOM 0 HA THR A 86 -7.773 -5.674 -4.959 1.00 0.00 H new ATOM 0 HB THR A 86 -5.787 -5.443 -6.405 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.120 -6.196 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.600 -7.800 -7.153 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.314 -7.668 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.355 -7.996 -6.934 1.00 0.00 H new ATOM 673 N VAL A 87 -7.605 -3.125 -5.150 1.00 0.00 N ATOM 674 CA VAL A 87 -7.602 -1.647 -5.192 1.00 0.00 C ATOM 675 C VAL A 87 -6.163 -1.148 -5.363 1.00 0.00 C ATOM 676 O VAL A 87 -5.241 -1.733 -4.792 1.00 0.00 O ATOM 677 CB VAL A 87 -8.224 -1.037 -3.871 1.00 0.00 C ATOM 678 CG1 VAL A 87 -8.244 0.520 -3.882 1.00 0.00 C ATOM 679 CG2 VAL A 87 -9.645 -1.596 -3.623 1.00 0.00 C ATOM 0 H VAL A 87 -7.302 -3.511 -4.256 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.212 -1.323 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.575 -1.342 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.681 0.885 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.225 0.896 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.840 0.870 -4.725 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.052 -1.162 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.289 -1.340 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.597 -2.680 -3.520 1.00 0.00 H new ATOM 689 N TRP A 88 -5.973 -0.052 -6.124 1.00 0.00 N ATOM 690 CA TRP A 88 -4.661 0.604 -6.253 1.00 0.00 C ATOM 691 C TRP A 88 -4.391 1.373 -4.960 1.00 0.00 C ATOM 692 O TRP A 88 -5.312 1.934 -4.384 1.00 0.00 O ATOM 693 CB TRP A 88 -4.630 1.572 -7.462 1.00 0.00 C ATOM 694 CG TRP A 88 -4.723 0.891 -8.801 1.00 0.00 C ATOM 695 CD1 TRP A 88 -5.829 0.769 -9.600 1.00 0.00 C ATOM 696 CD2 TRP A 88 -3.662 0.223 -9.494 1.00 0.00 C ATOM 697 NE1 TRP A 88 -5.508 0.089 -10.747 1.00 0.00 N ATOM 698 CE2 TRP A 88 -4.185 -0.262 -10.704 1.00 0.00 C ATOM 699 CE3 TRP A 88 -2.312 0.003 -9.209 1.00 0.00 C ATOM 700 CZ2 TRP A 88 -3.411 -0.970 -11.621 1.00 0.00 C ATOM 701 CZ3 TRP A 88 -1.546 -0.699 -10.111 1.00 0.00 C ATOM 702 CH2 TRP A 88 -2.090 -1.175 -11.311 1.00 0.00 C ATOM 0 H TRP A 88 -6.716 0.397 -6.660 1.00 0.00 H new ATOM 0 HA TRP A 88 -3.893 -0.151 -6.422 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.455 2.279 -7.368 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -3.708 2.152 -7.425 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.810 1.152 -9.362 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.152 -0.122 -11.510 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -1.876 0.378 -8.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.835 -1.344 -12.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.506 -0.887 -9.890 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -1.459 -1.712 -12.004 1.00 0.00 H new ATOM 713 N VAL A 89 -3.145 1.385 -4.502 1.00 0.00 N ATOM 714 CA VAL A 89 -2.756 2.010 -3.236 1.00 0.00 C ATOM 715 C VAL A 89 -1.603 2.961 -3.503 1.00 0.00 C ATOM 716 O VAL A 89 -0.483 2.521 -3.790 1.00 0.00 O ATOM 717 CB VAL A 89 -2.334 0.958 -2.152 1.00 0.00 C ATOM 718 CG1 VAL A 89 -1.991 1.659 -0.810 1.00 0.00 C ATOM 719 CG2 VAL A 89 -3.433 -0.117 -1.973 1.00 0.00 C ATOM 0 H VAL A 89 -2.365 0.958 -5.002 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.620 2.544 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.433 0.450 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.701 0.911 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.167 2.356 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.864 2.204 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.119 -0.836 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.361 0.360 -1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.595 -0.633 -2.919 1.00 0.00 H new ATOM 729 N LEU A 90 -1.894 4.261 -3.435 1.00 0.00 N ATOM 730 CA LEU A 90 -0.901 5.306 -3.631 1.00 0.00 C ATOM 731 C LEU A 90 -0.326 5.715 -2.267 1.00 0.00 C ATOM 732 O LEU A 90 -0.893 6.548 -1.553 1.00 0.00 O ATOM 733 CB LEU A 90 -1.544 6.512 -4.364 1.00 0.00 C ATOM 734 CG LEU A 90 -0.572 7.657 -4.779 1.00 0.00 C ATOM 735 CD1 LEU A 90 0.612 7.118 -5.632 1.00 0.00 C ATOM 736 CD2 LEU A 90 -1.349 8.771 -5.519 1.00 0.00 C ATOM 0 H LEU A 90 -2.831 4.615 -3.241 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.085 4.938 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.043 6.143 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.316 6.933 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.138 8.086 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.270 7.943 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.172 6.383 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.225 6.649 -6.537 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.661 9.566 -5.805 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.816 8.357 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.119 9.176 -4.862 1.00 0.00 H new ATOM 748 N TYR A 91 0.782 5.067 -1.909 1.00 0.00 N ATOM 749 CA TYR A 91 1.552 5.387 -0.708 1.00 0.00 C ATOM 750 C TYR A 91 2.623 6.408 -1.085 1.00 0.00 C ATOM 751 O TYR A 91 3.472 6.125 -1.918 1.00 0.00 O ATOM 752 CB TYR A 91 2.200 4.109 -0.093 1.00 0.00 C ATOM 753 CG TYR A 91 3.184 4.395 1.063 1.00 0.00 C ATOM 754 CD1 TYR A 91 2.758 5.032 2.236 1.00 0.00 C ATOM 755 CD2 TYR A 91 4.537 4.045 0.983 1.00 0.00 C ATOM 756 CE1 TYR A 91 3.637 5.303 3.267 1.00 0.00 C ATOM 757 CE2 TYR A 91 5.416 4.314 2.018 1.00 0.00 C ATOM 758 CZ TYR A 91 4.963 4.944 3.156 1.00 0.00 C ATOM 759 OH TYR A 91 5.839 5.206 4.193 1.00 0.00 O ATOM 0 H TYR A 91 1.174 4.297 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 91 0.888 5.803 0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.409 3.453 0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.727 3.568 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.721 5.317 2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.903 3.554 0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.285 5.797 4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 91 6.455 4.031 1.933 1.00 0.00 H new ATOM 0 HH TYR A 91 6.746 4.947 3.928 1.00 0.00 H new ATOM 769 N LYS A 92 2.554 7.613 -0.514 1.00 0.00 N ATOM 770 CA LYS A 92 3.629 8.605 -0.633 1.00 0.00 C ATOM 771 C LYS A 92 4.338 8.722 0.723 1.00 0.00 C ATOM 772 O LYS A 92 3.734 9.137 1.716 1.00 0.00 O ATOM 773 CB LYS A 92 3.077 9.969 -1.115 1.00 0.00 C ATOM 774 CG LYS A 92 2.311 9.893 -2.455 1.00 0.00 C ATOM 775 CD LYS A 92 2.024 11.281 -3.064 1.00 0.00 C ATOM 776 CE LYS A 92 1.194 11.191 -4.348 1.00 0.00 C ATOM 777 NZ LYS A 92 1.032 12.506 -5.010 1.00 0.00 N ATOM 0 H LYS A 92 1.758 7.928 0.040 1.00 0.00 H new ATOM 0 HA LYS A 92 4.350 8.282 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.413 10.373 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.906 10.669 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.890 9.303 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.368 9.369 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.495 11.893 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.967 11.784 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.672 10.496 -5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.211 10.782 -4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.463 12.392 -5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.551 13.163 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.967 12.887 -5.259 1.00 0.00 H new ATOM 791 N GLY A 93 5.606 8.313 0.739 1.00 0.00 N ATOM 792 CA GLY A 93 6.432 8.282 1.942 1.00 0.00 C ATOM 793 C GLY A 93 7.579 7.307 1.777 1.00 0.00 C ATOM 794 O GLY A 93 7.604 6.545 0.802 1.00 0.00 O ATOM 0 H GLY A 93 6.094 7.989 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.822 9.279 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.824 7.994 2.800 1.00 0.00 H new ATOM 798 N ALA A 94 8.521 7.312 2.726 1.00 0.00 N ATOM 799 CA ALA A 94 9.697 6.428 2.686 1.00 0.00 C ATOM 800 C ALA A 94 9.261 4.953 2.773 1.00 0.00 C ATOM 801 O ALA A 94 8.701 4.530 3.790 1.00 0.00 O ATOM 802 CB ALA A 94 10.662 6.786 3.824 1.00 0.00 C ATOM 0 H ALA A 94 8.493 7.925 3.541 1.00 0.00 H new ATOM 0 HA ALA A 94 10.217 6.570 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.529 6.127 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.987 7.820 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.156 6.666 4.782 1.00 0.00 H new ATOM 808 N VAL A 95 9.470 4.203 1.682 1.00 0.00 N ATOM 809 CA VAL A 95 9.042 2.799 1.582 1.00 0.00 C ATOM 810 C VAL A 95 10.073 1.878 2.274 1.00 0.00 C ATOM 811 O VAL A 95 11.253 1.911 1.904 1.00 0.00 O ATOM 812 CB VAL A 95 8.849 2.354 0.084 1.00 0.00 C ATOM 813 CG1 VAL A 95 8.278 0.918 -0.012 1.00 0.00 C ATOM 814 CG2 VAL A 95 7.954 3.354 -0.673 1.00 0.00 C ATOM 0 H VAL A 95 9.939 4.551 0.846 1.00 0.00 H new ATOM 0 HA VAL A 95 8.079 2.711 2.085 1.00 0.00 H new ATOM 0 HB VAL A 95 9.831 2.349 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.158 0.644 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.964 0.221 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.310 0.877 0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 95 7.835 3.026 -1.706 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.977 3.403 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.417 4.341 -0.657 1.00 0.00 H new ATOM 824 N PRO A 96 9.651 1.059 3.294 1.00 0.00 N ATOM 825 CA PRO A 96 10.534 0.048 3.931 1.00 0.00 C ATOM 826 C PRO A 96 11.031 -1.009 2.915 1.00 0.00 C ATOM 827 O PRO A 96 10.315 -1.348 1.967 1.00 0.00 O ATOM 828 CB PRO A 96 9.618 -0.601 5.004 1.00 0.00 C ATOM 829 CG PRO A 96 8.220 -0.300 4.553 1.00 0.00 C ATOM 830 CD PRO A 96 8.298 1.064 3.922 1.00 0.00 C ATOM 0 HA PRO A 96 11.441 0.489 4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.788 -1.675 5.071 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.812 -0.185 5.993 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.867 -1.045 3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.525 -0.307 5.392 1.00 0.00 H new ATOM 0 HD2 PRO A 96 7.510 1.214 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.198 1.858 4.662 1.00 0.00 H new ATOM 838 N ASP A 97 12.247 -1.531 3.138 1.00 0.00 N ATOM 839 CA ASP A 97 12.851 -2.584 2.289 1.00 0.00 C ATOM 840 C ASP A 97 12.155 -3.941 2.520 1.00 0.00 C ATOM 841 O ASP A 97 12.295 -4.866 1.719 1.00 0.00 O ATOM 842 CB ASP A 97 14.379 -2.704 2.562 1.00 0.00 C ATOM 843 CG ASP A 97 14.708 -3.322 3.933 1.00 0.00 C ATOM 844 OD1 ASP A 97 14.510 -2.639 4.962 1.00 0.00 O ATOM 845 OD2 ASP A 97 15.170 -4.484 3.985 1.00 0.00 O ATOM 0 H ASP A 97 12.844 -1.238 3.911 1.00 0.00 H new ATOM 0 HA ASP A 97 12.709 -2.299 1.247 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.834 -3.311 1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.831 -1.714 2.500 1.00 0.00 H new ATOM 850 N THR A 98 11.409 -4.029 3.632 1.00 0.00 N ATOM 851 CA THR A 98 10.597 -5.202 3.991 1.00 0.00 C ATOM 852 C THR A 98 9.361 -5.315 3.067 1.00 0.00 C ATOM 853 O THR A 98 8.782 -6.400 2.897 1.00 0.00 O ATOM 854 CB THR A 98 10.152 -5.088 5.475 1.00 0.00 C ATOM 855 OG1 THR A 98 9.410 -3.873 5.655 1.00 0.00 O ATOM 856 CG2 THR A 98 11.359 -5.071 6.427 1.00 0.00 C ATOM 0 H THR A 98 11.352 -3.276 4.317 1.00 0.00 H new ATOM 0 HA THR A 98 11.199 -6.102 3.862 1.00 0.00 H new ATOM 0 HB THR A 98 9.537 -5.957 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.550 -4.075 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.009 -4.990 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.929 -5.993 6.308 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.996 -4.218 6.192 1.00 0.00 H new ATOM 864 N PHE A 99 8.967 -4.159 2.494 1.00 0.00 N ATOM 865 CA PHE A 99 7.936 -4.085 1.453 1.00 0.00 C ATOM 866 C PHE A 99 8.509 -4.660 0.144 1.00 0.00 C ATOM 867 O PHE A 99 9.635 -4.327 -0.249 1.00 0.00 O ATOM 868 CB PHE A 99 7.444 -2.627 1.251 1.00 0.00 C ATOM 869 CG PHE A 99 6.366 -2.474 0.179 1.00 0.00 C ATOM 870 CD1 PHE A 99 5.018 -2.610 0.492 1.00 0.00 C ATOM 871 CD2 PHE A 99 6.708 -2.202 -1.145 1.00 0.00 C ATOM 872 CE1 PHE A 99 4.054 -2.474 -0.482 1.00 0.00 C ATOM 873 CE2 PHE A 99 5.740 -2.070 -2.111 1.00 0.00 C ATOM 874 CZ PHE A 99 4.415 -2.207 -1.782 1.00 0.00 C ATOM 0 H PHE A 99 9.359 -3.252 2.745 1.00 0.00 H new ATOM 0 HA PHE A 99 7.072 -4.673 1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.055 -2.252 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.296 -2.001 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.724 -2.824 1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.748 -2.094 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.010 -2.577 -0.224 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.023 -1.858 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.656 -2.105 -2.543 1.00 0.00 H new ATOM 884 N LYS A 100 7.706 -5.505 -0.521 1.00 0.00 N ATOM 885 CA LYS A 100 8.123 -6.266 -1.711 1.00 0.00 C ATOM 886 C LYS A 100 6.889 -6.962 -2.336 1.00 0.00 C ATOM 887 O LYS A 100 5.854 -7.086 -1.669 1.00 0.00 O ATOM 888 CB LYS A 100 9.232 -7.297 -1.325 1.00 0.00 C ATOM 889 CG LYS A 100 8.851 -8.263 -0.184 1.00 0.00 C ATOM 890 CD LYS A 100 10.013 -9.199 0.215 1.00 0.00 C ATOM 891 CE LYS A 100 9.693 -10.030 1.464 1.00 0.00 C ATOM 892 NZ LYS A 100 9.476 -9.174 2.663 1.00 0.00 N ATOM 0 H LYS A 100 6.740 -5.681 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 100 8.546 -5.590 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.486 -7.883 -2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.130 -6.751 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.539 -7.686 0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 100 7.995 -8.864 -0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.238 -9.868 -0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.908 -8.605 0.397 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.802 -10.631 1.281 1.00 0.00 H new ATOM 0 HE3 LYS A 100 10.511 -10.724 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.193 -9.396 3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 9.555 -8.173 2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.528 -9.355 3.051 1.00 0.00 H new ATOM 906 N PRO A 101 6.951 -7.397 -3.638 1.00 0.00 N ATOM 907 CA PRO A 101 5.834 -8.133 -4.282 1.00 0.00 C ATOM 908 C PRO A 101 5.544 -9.476 -3.573 1.00 0.00 C ATOM 909 O PRO A 101 6.330 -10.425 -3.668 1.00 0.00 O ATOM 910 CB PRO A 101 6.326 -8.326 -5.746 1.00 0.00 C ATOM 911 CG PRO A 101 7.818 -8.212 -5.672 1.00 0.00 C ATOM 912 CD PRO A 101 8.081 -7.189 -4.593 1.00 0.00 C ATOM 0 HA PRO A 101 4.886 -7.598 -4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.023 -9.296 -6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.905 -7.569 -6.407 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.275 -9.171 -5.426 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.237 -7.895 -6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 101 9.047 -7.349 -4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.088 -6.175 -4.993 1.00 0.00 H new ATOM 920 N GLY A 102 4.434 -9.515 -2.811 1.00 0.00 N ATOM 921 CA GLY A 102 3.994 -10.732 -2.116 1.00 0.00 C ATOM 922 C GLY A 102 3.919 -10.581 -0.603 1.00 0.00 C ATOM 923 O GLY A 102 3.383 -11.468 0.073 1.00 0.00 O ATOM 0 H GLY A 102 3.825 -8.710 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 102 3.012 -11.020 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.679 -11.545 -2.357 1.00 0.00 H new ATOM 927 N VAL A 103 4.460 -9.471 -0.053 1.00 0.00 N ATOM 928 CA VAL A 103 4.396 -9.200 1.405 1.00 0.00 C ATOM 929 C VAL A 103 2.966 -8.756 1.789 1.00 0.00 C ATOM 930 O VAL A 103 2.287 -8.115 0.995 1.00 0.00 O ATOM 931 CB VAL A 103 5.457 -8.107 1.850 1.00 0.00 C ATOM 932 CG1 VAL A 103 5.064 -6.684 1.387 1.00 0.00 C ATOM 933 CG2 VAL A 103 5.713 -8.139 3.377 1.00 0.00 C ATOM 0 H VAL A 103 4.943 -8.751 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 103 4.644 -10.122 1.932 1.00 0.00 H new ATOM 0 HB VAL A 103 6.390 -8.366 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.821 -5.972 1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.993 -6.662 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.100 -6.414 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 103 6.445 -7.375 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.780 -7.944 3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.094 -9.120 3.662 1.00 0.00 H new ATOM 943 N GLU A 104 2.502 -9.136 2.984 1.00 0.00 N ATOM 944 CA GLU A 104 1.227 -8.648 3.526 1.00 0.00 C ATOM 945 C GLU A 104 1.466 -7.301 4.207 1.00 0.00 C ATOM 946 O GLU A 104 2.489 -7.127 4.878 1.00 0.00 O ATOM 947 CB GLU A 104 0.631 -9.673 4.514 1.00 0.00 C ATOM 948 CG GLU A 104 0.236 -11.009 3.864 1.00 0.00 C ATOM 949 CD GLU A 104 -0.339 -12.006 4.875 1.00 0.00 C ATOM 950 OE1 GLU A 104 -1.510 -11.844 5.286 1.00 0.00 O ATOM 951 OE2 GLU A 104 0.381 -12.944 5.277 1.00 0.00 O ATOM 0 H GLU A 104 2.994 -9.785 3.599 1.00 0.00 H new ATOM 0 HA GLU A 104 0.507 -8.518 2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.357 -9.865 5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.248 -9.237 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.500 -10.825 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.110 -11.448 3.383 1.00 0.00 H new ATOM 958 N VAL A 105 0.546 -6.345 4.014 1.00 0.00 N ATOM 959 CA VAL A 105 0.669 -4.984 4.567 1.00 0.00 C ATOM 960 C VAL A 105 -0.656 -4.508 5.176 1.00 0.00 C ATOM 961 O VAL A 105 -1.750 -4.973 4.818 1.00 0.00 O ATOM 962 CB VAL A 105 1.158 -3.925 3.495 1.00 0.00 C ATOM 963 CG1 VAL A 105 2.601 -4.217 3.012 1.00 0.00 C ATOM 964 CG2 VAL A 105 0.181 -3.831 2.293 1.00 0.00 C ATOM 0 H VAL A 105 -0.305 -6.491 3.471 1.00 0.00 H new ATOM 0 HA VAL A 105 1.429 -5.050 5.346 1.00 0.00 H new ATOM 0 HB VAL A 105 1.166 -2.956 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.898 -3.468 2.278 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.283 -4.183 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 105 2.639 -5.206 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.551 -3.094 1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.109 -4.803 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.804 -3.529 2.648 1.00 0.00 H new ATOM 974 N ILE A 106 -0.508 -3.573 6.113 1.00 0.00 N ATOM 975 CA ILE A 106 -1.585 -2.799 6.718 1.00 0.00 C ATOM 976 C ILE A 106 -1.358 -1.339 6.310 1.00 0.00 C ATOM 977 O ILE A 106 -0.389 -0.704 6.753 1.00 0.00 O ATOM 978 CB ILE A 106 -1.584 -2.926 8.286 1.00 0.00 C ATOM 979 CG1 ILE A 106 -1.700 -4.423 8.721 1.00 0.00 C ATOM 980 CG2 ILE A 106 -2.710 -2.064 8.918 1.00 0.00 C ATOM 981 CD1 ILE A 106 -1.655 -4.666 10.225 1.00 0.00 C ATOM 0 H ILE A 106 0.408 -3.325 6.486 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.551 -3.170 6.375 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.633 -2.544 8.656 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.635 -4.827 8.331 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.891 -4.984 8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.685 -2.171 10.002 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.559 -1.017 8.653 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.678 -2.397 8.542 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.743 -5.734 10.424 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.710 -4.299 10.625 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.480 -4.139 10.704 1.00 0.00 H new ATOM 993 N ILE A 107 -2.213 -0.836 5.424 1.00 0.00 N ATOM 994 CA ILE A 107 -2.111 0.532 4.883 1.00 0.00 C ATOM 995 C ILE A 107 -3.113 1.453 5.599 1.00 0.00 C ATOM 996 O ILE A 107 -4.282 1.090 5.777 1.00 0.00 O ATOM 997 CB ILE A 107 -2.359 0.538 3.325 1.00 0.00 C ATOM 998 CG1 ILE A 107 -3.714 -0.160 2.981 1.00 0.00 C ATOM 999 CG2 ILE A 107 -1.178 -0.132 2.581 1.00 0.00 C ATOM 1000 CD1 ILE A 107 -4.053 -0.238 1.510 1.00 0.00 C ATOM 0 H ILE A 107 -3.004 -1.363 5.054 1.00 0.00 H new ATOM 0 HA ILE A 107 -1.103 0.905 5.061 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.421 1.573 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -3.694 -1.172 3.385 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.516 0.372 3.493 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -1.369 -0.118 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.258 0.413 2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.074 -1.164 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -5.012 -0.740 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -4.113 0.769 1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.278 -0.799 0.987 1.00 0.00 H new ATOM 1012 N GLU A 108 -2.645 2.631 6.032 1.00 0.00 N ATOM 1013 CA GLU A 108 -3.458 3.610 6.772 1.00 0.00 C ATOM 1014 C GLU A 108 -3.336 4.973 6.076 1.00 0.00 C ATOM 1015 O GLU A 108 -2.230 5.417 5.782 1.00 0.00 O ATOM 1016 CB GLU A 108 -2.985 3.700 8.248 1.00 0.00 C ATOM 1017 CG GLU A 108 -2.917 2.344 8.983 1.00 0.00 C ATOM 1018 CD GLU A 108 -2.396 2.455 10.426 1.00 0.00 C ATOM 1019 OE1 GLU A 108 -1.167 2.553 10.616 1.00 0.00 O ATOM 1020 OE2 GLU A 108 -3.210 2.462 11.372 1.00 0.00 O ATOM 0 H GLU A 108 -1.684 2.936 5.878 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.502 3.297 6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.998 4.162 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.660 4.361 8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.911 1.897 8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.271 1.668 8.423 1.00 0.00 H new ATOM 1027 N GLY A 109 -4.473 5.619 5.819 1.00 0.00 N ATOM 1028 CA GLY A 109 -4.526 6.883 5.097 1.00 0.00 C ATOM 1029 C GLY A 109 -5.965 7.249 4.790 1.00 0.00 C ATOM 1030 O GLY A 109 -6.709 7.618 5.708 1.00 0.00 O ATOM 0 H GLY A 109 -5.388 5.275 6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.062 7.670 5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.957 6.805 4.171 1.00 0.00 H new ATOM 1034 N GLY A 110 -6.378 7.149 3.511 1.00 0.00 N ATOM 1035 CA GLY A 110 -7.778 7.339 3.138 1.00 0.00 C ATOM 1036 C GLY A 110 -8.040 7.115 1.654 1.00 0.00 C ATOM 1037 O GLY A 110 -7.203 7.461 0.815 1.00 0.00 O ATOM 0 H GLY A 110 -5.759 6.938 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.398 6.654 3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -8.085 8.350 3.406 1.00 0.00 H new ATOM 1041 N LEU A 111 -9.204 6.514 1.340 1.00 0.00 N ATOM 1042 CA LEU A 111 -9.711 6.373 -0.036 1.00 0.00 C ATOM 1043 C LEU A 111 -10.651 7.546 -0.348 1.00 0.00 C ATOM 1044 O LEU A 111 -11.618 7.775 0.391 1.00 0.00 O ATOM 1045 CB LEU A 111 -10.482 5.034 -0.214 1.00 0.00 C ATOM 1046 CG LEU A 111 -11.110 4.799 -1.635 1.00 0.00 C ATOM 1047 CD1 LEU A 111 -10.024 4.569 -2.705 1.00 0.00 C ATOM 1048 CD2 LEU A 111 -12.132 3.648 -1.621 1.00 0.00 C ATOM 0 H LEU A 111 -9.823 6.109 2.042 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.863 6.374 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -9.801 4.211 0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.280 4.993 0.528 1.00 0.00 H new ATOM 0 HG LEU A 111 -11.646 5.710 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.496 4.410 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -9.374 5.442 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.433 3.692 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -12.545 3.516 -2.621 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.639 2.728 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -12.937 3.884 -0.925 1.00 0.00 H new ATOM 1060 N ALA A 112 -10.379 8.259 -1.453 1.00 0.00 N ATOM 1061 CA ALA A 112 -11.195 9.406 -1.878 1.00 0.00 C ATOM 1062 C ALA A 112 -12.428 8.908 -2.672 1.00 0.00 C ATOM 1063 O ALA A 112 -12.292 7.988 -3.488 1.00 0.00 O ATOM 1064 CB ALA A 112 -10.352 10.378 -2.717 1.00 0.00 C ATOM 0 H ALA A 112 -9.594 8.058 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 112 -11.547 9.943 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.969 11.222 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.513 10.739 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -9.975 9.863 -3.601 1.00 0.00 H new ATOM 1070 N PRO A 113 -13.655 9.496 -2.446 1.00 0.00 N ATOM 1071 CA PRO A 113 -14.907 9.060 -3.144 1.00 0.00 C ATOM 1072 C PRO A 113 -14.875 9.281 -4.680 1.00 0.00 C ATOM 1073 O PRO A 113 -15.676 8.686 -5.414 1.00 0.00 O ATOM 1074 CB PRO A 113 -16.013 9.917 -2.464 1.00 0.00 C ATOM 1075 CG PRO A 113 -15.291 11.113 -1.921 1.00 0.00 C ATOM 1076 CD PRO A 113 -13.935 10.603 -1.482 1.00 0.00 C ATOM 0 HA PRO A 113 -15.066 7.986 -3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.782 10.210 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.511 9.361 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -15.191 11.889 -2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.834 11.553 -1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.176 11.383 -1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.954 10.245 -0.453 1.00 0.00 H new ATOM 1084 N GLY A 114 -13.948 10.136 -5.144 1.00 0.00 N ATOM 1085 CA GLY A 114 -13.778 10.433 -6.571 1.00 0.00 C ATOM 1086 C GLY A 114 -12.469 9.902 -7.152 1.00 0.00 C ATOM 1087 O GLY A 114 -12.294 9.912 -8.373 1.00 0.00 O ATOM 0 H GLY A 114 -13.298 10.638 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -14.613 10.004 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -13.820 11.512 -6.717 1.00 0.00 H new ATOM 1091 N GLU A 115 -11.540 9.437 -6.291 1.00 0.00 N ATOM 1092 CA GLU A 115 -10.233 8.901 -6.732 1.00 0.00 C ATOM 1093 C GLU A 115 -10.149 7.418 -6.332 1.00 0.00 C ATOM 1094 O GLU A 115 -10.238 7.087 -5.145 1.00 0.00 O ATOM 1095 CB GLU A 115 -9.071 9.728 -6.112 1.00 0.00 C ATOM 1096 CG GLU A 115 -7.710 9.520 -6.795 1.00 0.00 C ATOM 1097 CD GLU A 115 -6.611 10.456 -6.266 1.00 0.00 C ATOM 1098 OE1 GLU A 115 -6.754 11.690 -6.406 1.00 0.00 O ATOM 1099 OE2 GLU A 115 -5.589 9.974 -5.748 1.00 0.00 O ATOM 0 H GLU A 115 -11.671 9.422 -5.280 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.141 8.980 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -9.329 10.786 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.978 9.468 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -7.395 8.486 -6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.823 9.675 -7.868 1.00 0.00 H new ATOM 1106 N ASP A 116 -9.965 6.532 -7.334 1.00 0.00 N ATOM 1107 CA ASP A 116 -10.098 5.060 -7.165 1.00 0.00 C ATOM 1108 C ASP A 116 -8.961 4.453 -6.320 1.00 0.00 C ATOM 1109 O ASP A 116 -9.108 3.351 -5.778 1.00 0.00 O ATOM 1110 CB ASP A 116 -10.168 4.352 -8.553 1.00 0.00 C ATOM 1111 CG ASP A 116 -8.829 4.346 -9.316 1.00 0.00 C ATOM 1112 OD1 ASP A 116 -8.459 5.390 -9.882 1.00 0.00 O ATOM 1113 OD2 ASP A 116 -8.134 3.302 -9.337 1.00 0.00 O ATOM 0 H ASP A 116 -9.720 6.812 -8.284 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.029 4.891 -6.623 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -10.498 3.323 -8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.922 4.847 -9.165 1.00 0.00 H new ATOM 1118 N THR A 117 -7.832 5.168 -6.225 1.00 0.00 N ATOM 1119 CA THR A 117 -6.657 4.692 -5.485 1.00 0.00 C ATOM 1120 C THR A 117 -6.754 5.118 -4.003 1.00 0.00 C ATOM 1121 O THR A 117 -7.140 6.256 -3.696 1.00 0.00 O ATOM 1122 CB THR A 117 -5.304 5.178 -6.127 1.00 0.00 C ATOM 1123 OG1 THR A 117 -4.190 4.616 -5.414 1.00 0.00 O ATOM 1124 CG2 THR A 117 -5.164 6.704 -6.160 1.00 0.00 C ATOM 0 H THR A 117 -7.708 6.085 -6.655 1.00 0.00 H new ATOM 0 HA THR A 117 -6.652 3.603 -5.542 1.00 0.00 H new ATOM 0 HB THR A 117 -5.312 4.832 -7.160 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.435 4.499 -6.027 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.210 6.972 -6.614 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.978 7.131 -6.746 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.204 7.095 -5.143 1.00 0.00 H new ATOM 1132 N PHE A 118 -6.440 4.176 -3.095 1.00 0.00 N ATOM 1133 CA PHE A 118 -6.362 4.417 -1.656 1.00 0.00 C ATOM 1134 C PHE A 118 -5.048 5.154 -1.383 1.00 0.00 C ATOM 1135 O PHE A 118 -3.967 4.589 -1.574 1.00 0.00 O ATOM 1136 CB PHE A 118 -6.403 3.067 -0.879 1.00 0.00 C ATOM 1137 CG PHE A 118 -6.272 3.201 0.643 1.00 0.00 C ATOM 1138 CD1 PHE A 118 -5.021 3.221 1.264 1.00 0.00 C ATOM 1139 CD2 PHE A 118 -7.396 3.324 1.447 1.00 0.00 C ATOM 1140 CE1 PHE A 118 -4.907 3.347 2.632 1.00 0.00 C ATOM 1141 CE2 PHE A 118 -7.274 3.448 2.815 1.00 0.00 C ATOM 1142 CZ PHE A 118 -6.033 3.465 3.406 1.00 0.00 C ATOM 0 H PHE A 118 -6.231 3.211 -3.353 1.00 0.00 H new ATOM 0 HA PHE A 118 -7.209 5.015 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 118 -7.341 2.561 -1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 118 -5.599 2.428 -1.245 1.00 0.00 H new ATOM 0 HD1 PHE A 118 -4.128 3.136 0.662 1.00 0.00 H new ATOM 0 HD2 PHE A 118 -8.378 3.323 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 118 -3.931 3.353 3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 118 -8.160 3.532 3.427 1.00 0.00 H new ATOM 0 HZ PHE A 118 -5.945 3.571 4.477 1.00 0.00 H new ATOM 1152 N LYS A 119 -5.143 6.403 -0.941 1.00 0.00 N ATOM 1153 CA LYS A 119 -3.969 7.230 -0.685 1.00 0.00 C ATOM 1154 C LYS A 119 -3.466 6.947 0.739 1.00 0.00 C ATOM 1155 O LYS A 119 -3.978 7.503 1.719 1.00 0.00 O ATOM 1156 CB LYS A 119 -4.322 8.720 -0.917 1.00 0.00 C ATOM 1157 CG LYS A 119 -3.109 9.686 -0.971 1.00 0.00 C ATOM 1158 CD LYS A 119 -3.457 11.023 -1.678 1.00 0.00 C ATOM 1159 CE LYS A 119 -3.866 10.805 -3.147 1.00 0.00 C ATOM 1160 NZ LYS A 119 -4.398 12.028 -3.799 1.00 0.00 N ATOM 0 H LYS A 119 -6.030 6.869 -0.751 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.160 6.988 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.875 8.804 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.991 9.047 -0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.765 9.892 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.285 9.203 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.270 11.516 -1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.597 11.691 -1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.002 10.450 -3.708 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.621 10.020 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.927 11.763 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.031 12.525 -3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.609 12.653 -4.060 1.00 0.00 H new ATOM 1174 N ALA A 120 -2.490 6.023 0.840 1.00 0.00 N ATOM 1175 CA ALA A 120 -1.915 5.592 2.113 1.00 0.00 C ATOM 1176 C ALA A 120 -0.891 6.622 2.596 1.00 0.00 C ATOM 1177 O ALA A 120 0.059 6.953 1.873 1.00 0.00 O ATOM 1178 CB ALA A 120 -1.267 4.199 1.970 1.00 0.00 C ATOM 0 H ALA A 120 -2.081 5.556 0.030 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.711 5.518 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -0.844 3.894 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -2.022 3.476 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.476 4.241 1.221 1.00 0.00 H new ATOM 1184 N ARG A 121 -1.110 7.142 3.806 1.00 0.00 N ATOM 1185 CA ARG A 121 -0.199 8.091 4.449 1.00 0.00 C ATOM 1186 C ARG A 121 0.978 7.332 5.076 1.00 0.00 C ATOM 1187 O ARG A 121 2.131 7.752 4.975 1.00 0.00 O ATOM 1188 CB ARG A 121 -0.944 8.908 5.536 1.00 0.00 C ATOM 1189 CG ARG A 121 -0.172 10.158 6.019 1.00 0.00 C ATOM 1190 CD ARG A 121 -0.055 11.219 4.908 1.00 0.00 C ATOM 1191 NE ARG A 121 -1.389 11.614 4.425 1.00 0.00 N ATOM 1192 CZ ARG A 121 -1.681 12.041 3.189 1.00 0.00 C ATOM 1193 NH1 ARG A 121 -0.743 12.137 2.261 1.00 0.00 N ATOM 1194 NH2 ARG A 121 -2.926 12.353 2.882 1.00 0.00 N ATOM 0 H ARG A 121 -1.929 6.915 4.370 1.00 0.00 H new ATOM 0 HA ARG A 121 0.178 8.783 3.696 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.912 9.220 5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.141 8.262 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.680 10.589 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.825 9.865 6.349 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.474 12.093 5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.535 10.824 4.081 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.160 11.557 5.091 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.220 11.884 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -0.983 12.464 1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -3.661 12.269 3.584 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.153 12.679 1.942 1.00 0.00 H new ATOM 1208 N THR A 122 0.657 6.188 5.702 1.00 0.00 N ATOM 1209 CA THR A 122 1.601 5.368 6.470 1.00 0.00 C ATOM 1210 C THR A 122 1.459 3.899 6.027 1.00 0.00 C ATOM 1211 O THR A 122 0.339 3.401 5.841 1.00 0.00 O ATOM 1212 CB THR A 122 1.336 5.492 8.014 1.00 0.00 C ATOM 1213 OG1 THR A 122 -0.020 5.115 8.309 1.00 0.00 O ATOM 1214 CG2 THR A 122 1.579 6.927 8.536 1.00 0.00 C ATOM 0 H THR A 122 -0.287 5.801 5.686 1.00 0.00 H new ATOM 0 HA THR A 122 2.614 5.722 6.278 1.00 0.00 H new ATOM 0 HB THR A 122 2.038 4.825 8.514 1.00 0.00 H new ATOM 0 HG1 THR A 122 -0.179 5.193 9.273 1.00 0.00 H new ATOM 0 HG21 THR A 122 1.383 6.962 9.608 1.00 0.00 H new ATOM 0 HG22 THR A 122 2.614 7.213 8.347 1.00 0.00 H new ATOM 0 HG23 THR A 122 0.912 7.619 8.022 1.00 0.00 H new ATOM 1222 N LEU A 123 2.599 3.232 5.838 1.00 0.00 N ATOM 1223 CA LEU A 123 2.679 1.824 5.412 1.00 0.00 C ATOM 1224 C LEU A 123 3.260 0.996 6.564 1.00 0.00 C ATOM 1225 O LEU A 123 4.250 1.408 7.173 1.00 0.00 O ATOM 1226 CB LEU A 123 3.591 1.729 4.160 1.00 0.00 C ATOM 1227 CG LEU A 123 3.806 0.321 3.525 1.00 0.00 C ATOM 1228 CD1 LEU A 123 2.474 -0.290 3.044 1.00 0.00 C ATOM 1229 CD2 LEU A 123 4.836 0.401 2.373 1.00 0.00 C ATOM 0 H LEU A 123 3.514 3.660 5.978 1.00 0.00 H new ATOM 0 HA LEU A 123 1.691 1.440 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 123 3.177 2.383 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 123 4.569 2.130 4.426 1.00 0.00 H new ATOM 0 HG LEU A 123 4.204 -0.341 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.661 -1.271 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 123 1.794 -0.393 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 123 2.024 0.362 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.975 -0.590 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 123 4.472 1.084 1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.788 0.765 2.760 1.00 0.00 H new ATOM 1241 N MET A 124 2.647 -0.155 6.870 1.00 0.00 N ATOM 1242 CA MET A 124 3.127 -1.057 7.932 1.00 0.00 C ATOM 1243 C MET A 124 3.081 -2.514 7.448 1.00 0.00 C ATOM 1244 O MET A 124 2.014 -3.122 7.401 1.00 0.00 O ATOM 1245 CB MET A 124 2.288 -0.856 9.226 1.00 0.00 C ATOM 1246 CG MET A 124 2.677 -1.769 10.406 1.00 0.00 C ATOM 1247 SD MET A 124 1.828 -1.336 11.946 1.00 0.00 S ATOM 1248 CE MET A 124 0.098 -1.407 11.474 1.00 0.00 C ATOM 0 H MET A 124 1.809 -0.488 6.393 1.00 0.00 H new ATOM 0 HA MET A 124 4.164 -0.817 8.168 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.382 0.182 9.544 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.237 -1.023 8.989 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.447 -2.803 10.149 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.754 -1.712 10.563 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.510 -1.622 12.353 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.203 -0.449 11.050 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.045 -2.193 10.732 1.00 0.00 H new ATOM 1258 N THR A 125 4.255 -3.059 7.092 1.00 0.00 N ATOM 1259 CA THR A 125 4.396 -4.445 6.637 1.00 0.00 C ATOM 1260 C THR A 125 4.226 -5.411 7.827 1.00 0.00 C ATOM 1261 O THR A 125 4.693 -5.121 8.936 1.00 0.00 O ATOM 1262 CB THR A 125 5.794 -4.662 5.967 1.00 0.00 C ATOM 1263 OG1 THR A 125 6.843 -4.374 6.913 1.00 0.00 O ATOM 1264 CG2 THR A 125 5.983 -3.768 4.721 1.00 0.00 C ATOM 0 H THR A 125 5.136 -2.545 7.113 1.00 0.00 H new ATOM 0 HA THR A 125 3.621 -4.649 5.898 1.00 0.00 H new ATOM 0 HB THR A 125 5.843 -5.704 5.651 1.00 0.00 H new ATOM 0 HG1 THR A 125 7.193 -5.213 7.279 1.00 0.00 H new ATOM 0 HG21 THR A 125 6.966 -3.951 4.288 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.213 -4.002 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 125 5.903 -2.720 5.010 1.00 0.00 H new ATOM 1272 N LYS A 126 3.545 -6.540 7.580 1.00 0.00 N ATOM 1273 CA LYS A 126 3.286 -7.573 8.595 1.00 0.00 C ATOM 1274 C LYS A 126 4.588 -8.271 9.006 1.00 0.00 C ATOM 1275 O LYS A 126 4.870 -8.423 10.202 1.00 0.00 O ATOM 1276 CB LYS A 126 2.251 -8.595 8.051 1.00 0.00 C ATOM 1277 CG LYS A 126 0.801 -8.057 7.974 1.00 0.00 C ATOM 1278 CD LYS A 126 0.201 -7.773 9.375 1.00 0.00 C ATOM 1279 CE LYS A 126 0.098 -9.036 10.257 1.00 0.00 C ATOM 1280 NZ LYS A 126 -0.418 -8.733 11.609 1.00 0.00 N ATOM 0 H LYS A 126 3.156 -6.764 6.664 1.00 0.00 H new ATOM 0 HA LYS A 126 2.873 -7.099 9.485 1.00 0.00 H new ATOM 0 HB2 LYS A 126 2.561 -8.913 7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 126 2.264 -9.480 8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.787 -7.141 7.383 1.00 0.00 H new ATOM 0 HG3 LYS A 126 0.175 -8.782 7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 126 0.817 -7.031 9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.791 -7.337 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -0.557 -9.762 9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 126 1.081 -9.500 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.470 -9.610 12.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.220 -8.061 12.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -1.367 -8.315 11.533 1.00 0.00 H new ATOM 1294 N CYS A 127 5.378 -8.683 8.006 1.00 0.00 N ATOM 1295 CA CYS A 127 6.692 -9.280 8.247 1.00 0.00 C ATOM 1296 C CYS A 127 7.701 -8.173 8.634 1.00 0.00 C ATOM 1297 O CYS A 127 7.751 -7.132 7.958 1.00 0.00 O ATOM 1298 CB CYS A 127 7.179 -10.048 7.008 1.00 0.00 C ATOM 1299 SG CYS A 127 8.733 -10.936 7.266 1.00 0.00 S ATOM 0 H CYS A 127 5.126 -8.612 7.020 1.00 0.00 H new ATOM 0 HA CYS A 127 6.611 -9.991 9.069 1.00 0.00 H new ATOM 0 HB2 CYS A 127 6.410 -10.760 6.707 1.00 0.00 H new ATOM 0 HB3 CYS A 127 7.304 -9.347 6.183 1.00 0.00 H new ATOM 0 HG CYS A 127 9.066 -11.555 6.172 1.00 0.00 H new ATOM 1305 N PRO A 128 8.500 -8.362 9.739 1.00 0.00 N ATOM 1306 CA PRO A 128 9.534 -7.381 10.164 1.00 0.00 C ATOM 1307 C PRO A 128 10.790 -7.430 9.264 1.00 0.00 C ATOM 1308 O PRO A 128 10.754 -8.006 8.166 1.00 0.00 O ATOM 1309 CB PRO A 128 9.843 -7.828 11.618 1.00 0.00 C ATOM 1310 CG PRO A 128 9.645 -9.311 11.585 1.00 0.00 C ATOM 1311 CD PRO A 128 8.463 -9.540 10.661 1.00 0.00 C ATOM 0 HA PRO A 128 9.200 -6.346 10.091 1.00 0.00 H new ATOM 0 HB2 PRO A 128 10.860 -7.567 11.909 1.00 0.00 H new ATOM 0 HB3 PRO A 128 9.174 -7.351 12.334 1.00 0.00 H new ATOM 0 HG2 PRO A 128 10.536 -9.818 11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 128 9.446 -9.703 12.582 1.00 0.00 H new ATOM 0 HD2 PRO A 128 8.557 -10.479 10.115 1.00 0.00 H new ATOM 0 HD3 PRO A 128 7.525 -9.586 11.214 1.00 0.00 H new ATOM 1319 N LEU A 129 11.890 -6.802 9.727 1.00 0.00 N ATOM 1320 CA LEU A 129 13.186 -6.853 9.032 1.00 0.00 C ATOM 1321 C LEU A 129 13.722 -8.296 9.076 1.00 0.00 C ATOM 1322 O LEU A 129 14.247 -8.743 10.096 1.00 0.00 O ATOM 1323 CB LEU A 129 14.186 -5.847 9.668 1.00 0.00 C ATOM 1324 CG LEU A 129 15.521 -5.622 8.893 1.00 0.00 C ATOM 1325 CD1 LEU A 129 15.247 -5.090 7.470 1.00 0.00 C ATOM 1326 CD2 LEU A 129 16.465 -4.669 9.666 1.00 0.00 C ATOM 0 H LEU A 129 11.903 -6.251 10.585 1.00 0.00 H new ATOM 0 HA LEU A 129 13.059 -6.561 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 129 13.684 -4.885 9.773 1.00 0.00 H new ATOM 0 HB3 LEU A 129 14.427 -6.192 10.673 1.00 0.00 H new ATOM 0 HG LEU A 129 16.022 -6.586 8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 129 16.193 -4.941 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.641 -5.812 6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 129 14.714 -4.141 7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 129 17.387 -4.532 9.100 1.00 0.00 H new ATOM 0 HD22 LEU A 129 15.976 -3.704 9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 129 16.698 -5.099 10.640 1.00 0.00 H new ATOM 1338 N GLU A 130 13.518 -9.024 7.969 1.00 0.00 N ATOM 1339 CA GLU A 130 13.822 -10.462 7.857 1.00 0.00 C ATOM 1340 C GLU A 130 15.112 -10.664 7.023 1.00 0.00 C ATOM 1341 O GLU A 130 15.107 -10.312 5.822 1.00 0.00 O ATOM 1342 CB GLU A 130 12.605 -11.197 7.219 1.00 0.00 C ATOM 1343 CG GLU A 130 12.747 -12.730 7.116 1.00 0.00 C ATOM 1344 CD GLU A 130 11.518 -13.405 6.485 1.00 0.00 C ATOM 1345 OE1 GLU A 130 10.560 -13.735 7.223 1.00 0.00 O ATOM 1346 OE2 GLU A 130 11.497 -13.607 5.245 1.00 0.00 O ATOM 0 H GLU A 130 13.132 -8.627 7.113 1.00 0.00 H new ATOM 0 HA GLU A 130 13.997 -10.886 8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 130 11.715 -10.969 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 130 12.441 -10.795 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 130 13.630 -12.969 6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 130 12.910 -13.142 8.112 1.00 0.00 H new TER 1353 GLU A 130