USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 849 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 83 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 85 ASN : amide:sc= -3.04! K(o=-3!,f=-0.22) USER MOD Set 2.1: A 33 MET CE :methyl -150:sc= -2.33 (180deg=-3.26!) USER MOD Set 2.2: A 37 THR OG1 : rot -86:sc= -0.471 USER MOD Set 2.3: A 99 MET CE :methyl 136:sc= -0.308 (180deg=-2.25!) USER MOD Set 3.1: A 3 ASN : amide:sc= 0.941 K(o=2.1,f=-9!) USER MOD Set 3.2: A 5 LYS NZ :NH3+ -140:sc= 1.13 (180deg=-0.0876) USER MOD Single : A 7 LYS NZ :NH3+ -158:sc= -0.113 (180deg=-0.494) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 163:sc= 1.17 USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.05) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.614 K(o=0.61,f=-0.82) USER MOD Single : A 25 THR OG1 : rot 45:sc= 1.27 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 120:sc= 1.34 USER MOD Single : A 31 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-7.8!) USER MOD Single : A 32 SER OG : rot 180:sc= 0.31 USER MOD Single : A 36 SER OG : rot -13:sc= 1.11 USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= 1.39 (180deg=0.841) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.0205 USER MOD Single : A 46 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.034) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 1.23 K(o=1.2,f=-0.12) USER MOD Single : A 67 ASN : amide:sc= 1.75 K(o=1.7,f=-6.1!) USER MOD Single : A 71 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 155:sc= 1.32 (180deg=1.08) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.16) USER MOD Single : A 91 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.67) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.0246 K(o=-0.025,f=-0.8) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 10.325 17.610 -10.785 1.00 0.00 N ATOM 2 CA VAL A 2 10.994 17.695 -12.077 1.00 0.00 C ATOM 3 C VAL A 2 12.498 17.460 -11.929 1.00 0.00 C ATOM 4 O VAL A 2 12.962 16.992 -10.889 1.00 0.00 O ATOM 5 CB VAL A 2 10.750 19.066 -12.748 1.00 0.00 C ATOM 6 CG1 VAL A 2 9.283 19.232 -13.107 1.00 0.00 C ATOM 7 CG2 VAL A 2 11.211 20.203 -11.846 1.00 0.00 C ATOM 0 HA VAL A 2 10.571 16.916 -12.711 1.00 0.00 H new ATOM 0 HB VAL A 2 11.337 19.102 -13.666 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.131 20.203 -13.578 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.986 18.443 -13.798 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.678 19.169 -12.203 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.029 21.157 -12.341 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.658 20.170 -10.907 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.277 20.097 -11.643 1.00 0.00 H new ATOM 17 N ASN A 3 13.247 17.782 -12.975 1.00 0.00 N ATOM 18 CA ASN A 3 14.697 17.615 -12.967 1.00 0.00 C ATOM 19 C ASN A 3 15.353 18.638 -12.042 1.00 0.00 C ATOM 20 O ASN A 3 14.966 19.808 -12.024 1.00 0.00 O ATOM 21 CB ASN A 3 15.247 17.762 -14.388 1.00 0.00 C ATOM 22 CG ASN A 3 16.756 17.612 -14.458 1.00 0.00 C ATOM 23 OD1 ASN A 3 17.358 16.842 -13.705 1.00 0.00 O ATOM 24 ND2 ASN A 3 17.379 18.358 -15.358 1.00 0.00 N ATOM 0 H ASN A 3 12.874 18.162 -13.845 1.00 0.00 H new ATOM 0 HA ASN A 3 14.929 16.617 -12.595 1.00 0.00 H new ATOM 0 HB2 ASN A 3 14.783 17.014 -15.031 1.00 0.00 H new ATOM 0 HB3 ASN A 3 14.966 18.739 -14.781 1.00 0.00 H new ATOM 0 HD21 ASN A 3 18.394 18.308 -15.447 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.844 18.982 -15.962 1.00 0.00 H new ATOM 31 N PHE A 4 16.341 18.189 -11.280 1.00 0.00 N ATOM 32 CA PHE A 4 17.043 19.050 -10.334 1.00 0.00 C ATOM 33 C PHE A 4 18.480 18.574 -10.152 1.00 0.00 C ATOM 34 O PHE A 4 19.410 19.382 -10.108 1.00 0.00 O ATOM 35 CB PHE A 4 16.308 19.064 -8.988 1.00 0.00 C ATOM 36 CG PHE A 4 16.926 19.973 -7.960 1.00 0.00 C ATOM 37 CD1 PHE A 4 16.834 21.350 -8.088 1.00 0.00 C ATOM 38 CD2 PHE A 4 17.597 19.449 -6.863 1.00 0.00 C ATOM 39 CE1 PHE A 4 17.401 22.186 -7.146 1.00 0.00 C ATOM 40 CE2 PHE A 4 18.164 20.281 -5.918 1.00 0.00 C ATOM 41 CZ PHE A 4 18.066 21.651 -6.058 1.00 0.00 C ATOM 0 H PHE A 4 16.677 17.226 -11.298 1.00 0.00 H new ATOM 0 HA PHE A 4 17.063 20.065 -10.730 1.00 0.00 H new ATOM 0 HB2 PHE A 4 15.275 19.370 -9.153 1.00 0.00 H new ATOM 0 HB3 PHE A 4 16.280 18.049 -8.591 1.00 0.00 H new ATOM 0 HD1 PHE A 4 16.313 21.774 -8.934 1.00 0.00 H new ATOM 0 HD2 PHE A 4 17.676 18.378 -6.748 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.325 23.257 -7.259 1.00 0.00 H new ATOM 0 HE2 PHE A 4 18.684 19.860 -5.070 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.508 22.303 -5.319 1.00 0.00 H new ATOM 51 N LYS A 5 18.638 17.247 -10.065 1.00 0.00 N ATOM 52 CA LYS A 5 19.945 16.597 -9.907 1.00 0.00 C ATOM 53 C LYS A 5 20.530 16.817 -8.514 1.00 0.00 C ATOM 54 O LYS A 5 20.055 17.657 -7.752 1.00 0.00 O ATOM 55 CB LYS A 5 20.950 17.082 -10.961 1.00 0.00 C ATOM 56 CG LYS A 5 20.601 16.705 -12.394 1.00 0.00 C ATOM 57 CD LYS A 5 20.512 15.198 -12.576 1.00 0.00 C ATOM 58 CE LYS A 5 20.567 14.808 -14.047 1.00 0.00 C ATOM 59 NZ LYS A 5 19.575 15.554 -14.865 1.00 0.00 N ATOM 0 H LYS A 5 17.858 16.591 -10.102 1.00 0.00 H new ATOM 0 HA LYS A 5 19.770 15.530 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.030 18.167 -10.894 1.00 0.00 H new ATOM 0 HB3 LYS A 5 21.932 16.674 -10.721 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.650 17.161 -12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 5 21.355 17.109 -13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 5 21.331 14.717 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.584 14.832 -12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 5 21.569 14.996 -14.433 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.384 13.738 -14.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 19.152 14.914 -15.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 18.829 15.932 -14.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.049 16.339 -15.355 1.00 0.00 H new ATOM 73 N ASP A 6 21.555 16.024 -8.192 1.00 0.00 N ATOM 74 CA ASP A 6 22.311 16.158 -6.942 1.00 0.00 C ATOM 75 C ASP A 6 21.425 16.033 -5.705 1.00 0.00 C ATOM 76 O ASP A 6 21.750 16.542 -4.631 1.00 0.00 O ATOM 77 CB ASP A 6 23.086 17.478 -6.921 1.00 0.00 C ATOM 78 CG ASP A 6 24.372 17.407 -7.719 1.00 0.00 C ATOM 79 OD1 ASP A 6 24.347 17.682 -8.940 1.00 0.00 O ATOM 80 OD2 ASP A 6 25.426 17.079 -7.126 1.00 0.00 O ATOM 0 H ASP A 6 21.886 15.268 -8.792 1.00 0.00 H new ATOM 0 HA ASP A 6 23.019 15.330 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 6 22.456 18.272 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 6 23.316 17.744 -5.889 1.00 0.00 H new ATOM 85 N LYS A 7 20.325 15.320 -5.862 1.00 0.00 N ATOM 86 CA LYS A 7 19.420 15.033 -4.762 1.00 0.00 C ATOM 87 C LYS A 7 18.775 13.672 -4.969 1.00 0.00 C ATOM 88 O LYS A 7 17.920 13.501 -5.840 1.00 0.00 O ATOM 89 CB LYS A 7 18.350 16.124 -4.625 1.00 0.00 C ATOM 90 CG LYS A 7 17.241 15.767 -3.646 1.00 0.00 C ATOM 91 CD LYS A 7 16.385 16.972 -3.300 1.00 0.00 C ATOM 92 CE LYS A 7 17.113 17.918 -2.358 1.00 0.00 C ATOM 93 NZ LYS A 7 17.402 17.278 -1.044 1.00 0.00 N ATOM 0 H LYS A 7 20.033 14.923 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 7 19.995 15.018 -3.836 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.826 17.050 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.911 16.317 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.613 14.987 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.678 15.358 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.115 17.502 -4.213 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.456 16.639 -2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.047 18.241 -2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.509 18.812 -2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.545 18.014 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.601 16.674 -0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.262 16.698 -1.122 1.00 0.00 H new ATOM 107 N SER A 8 19.212 12.701 -4.190 1.00 0.00 N ATOM 108 CA SER A 8 18.699 11.349 -4.296 1.00 0.00 C ATOM 109 C SER A 8 18.533 10.733 -2.915 1.00 0.00 C ATOM 110 O SER A 8 19.514 10.485 -2.214 1.00 0.00 O ATOM 111 CB SER A 8 19.643 10.491 -5.143 1.00 0.00 C ATOM 112 OG SER A 8 19.789 11.033 -6.447 1.00 0.00 O ATOM 0 H SER A 8 19.926 12.825 -3.472 1.00 0.00 H new ATOM 0 HA SER A 8 17.723 11.386 -4.781 1.00 0.00 H new ATOM 0 HB2 SER A 8 20.618 10.430 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.256 9.474 -5.209 1.00 0.00 H new ATOM 0 HG SER A 8 20.397 10.469 -6.969 1.00 0.00 H new ATOM 118 N MET A 9 17.289 10.526 -2.516 1.00 0.00 N ATOM 119 CA MET A 9 16.997 9.862 -1.255 1.00 0.00 C ATOM 120 C MET A 9 16.744 8.379 -1.496 1.00 0.00 C ATOM 121 O MET A 9 15.985 8.009 -2.389 1.00 0.00 O ATOM 122 CB MET A 9 15.776 10.487 -0.577 1.00 0.00 C ATOM 123 CG MET A 9 15.988 11.916 -0.106 1.00 0.00 C ATOM 124 SD MET A 9 17.218 12.041 1.206 1.00 0.00 S ATOM 125 CE MET A 9 17.155 13.797 1.551 1.00 0.00 C ATOM 0 H MET A 9 16.465 10.808 -3.047 1.00 0.00 H new ATOM 0 HA MET A 9 17.858 9.984 -0.598 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.938 10.467 -1.273 1.00 0.00 H new ATOM 0 HB3 MET A 9 15.495 9.872 0.278 1.00 0.00 H new ATOM 0 HG2 MET A 9 16.300 12.530 -0.951 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.041 12.321 0.250 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.862 14.037 2.345 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.416 14.354 0.651 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.148 14.070 1.867 1.00 0.00 H new ATOM 135 N PRO A 10 17.385 7.506 -0.707 1.00 0.00 N ATOM 136 CA PRO A 10 17.167 6.061 -0.787 1.00 0.00 C ATOM 137 C PRO A 10 15.913 5.640 -0.021 1.00 0.00 C ATOM 138 O PRO A 10 15.823 4.531 0.503 1.00 0.00 O ATOM 139 CB PRO A 10 18.422 5.495 -0.126 1.00 0.00 C ATOM 140 CG PRO A 10 18.810 6.524 0.881 1.00 0.00 C ATOM 141 CD PRO A 10 18.387 7.857 0.317 1.00 0.00 C ATOM 0 HA PRO A 10 17.012 5.709 -1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.222 4.533 0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.216 5.334 -0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 10 18.321 6.335 1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 10 19.885 6.503 1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 10 17.962 8.500 1.088 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.231 8.393 -0.117 1.00 0.00 H new ATOM 149 N THR A 11 14.942 6.534 0.009 1.00 0.00 N ATOM 150 CA THR A 11 13.744 6.348 0.797 1.00 0.00 C ATOM 151 C THR A 11 12.693 5.529 0.049 1.00 0.00 C ATOM 152 O THR A 11 11.795 6.073 -0.596 1.00 0.00 O ATOM 153 CB THR A 11 13.165 7.716 1.200 1.00 0.00 C ATOM 154 OG1 THR A 11 13.218 8.609 0.077 1.00 0.00 O ATOM 155 CG2 THR A 11 13.941 8.307 2.365 1.00 0.00 C ATOM 0 H THR A 11 14.965 7.410 -0.514 1.00 0.00 H new ATOM 0 HA THR A 11 14.017 5.790 1.693 1.00 0.00 H new ATOM 0 HB THR A 11 12.129 7.579 1.511 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.614 9.365 0.231 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.515 9.274 2.633 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.881 7.634 3.221 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.984 8.438 2.078 1.00 0.00 H new ATOM 163 N ALA A 12 12.818 4.210 0.134 1.00 0.00 N ATOM 164 CA ALA A 12 11.859 3.309 -0.496 1.00 0.00 C ATOM 165 C ALA A 12 10.462 3.514 0.082 1.00 0.00 C ATOM 166 O ALA A 12 9.464 3.465 -0.635 1.00 0.00 O ATOM 167 CB ALA A 12 12.301 1.866 -0.322 1.00 0.00 C ATOM 0 H ALA A 12 13.574 3.740 0.633 1.00 0.00 H new ATOM 0 HA ALA A 12 11.821 3.537 -1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.577 1.204 -0.797 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.278 1.726 -0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.366 1.631 0.740 1.00 0.00 H new ATOM 173 N ILE A 13 10.409 3.771 1.385 1.00 0.00 N ATOM 174 CA ILE A 13 9.148 4.008 2.079 1.00 0.00 C ATOM 175 C ILE A 13 8.496 5.298 1.578 1.00 0.00 C ATOM 176 O ILE A 13 7.272 5.409 1.510 1.00 0.00 O ATOM 177 CB ILE A 13 9.372 4.114 3.605 1.00 0.00 C ATOM 178 CG1 ILE A 13 10.154 2.897 4.109 1.00 0.00 C ATOM 179 CG2 ILE A 13 8.040 4.232 4.341 1.00 0.00 C ATOM 180 CD1 ILE A 13 10.576 3.003 5.559 1.00 0.00 C ATOM 0 H ILE A 13 11.232 3.821 1.986 1.00 0.00 H new ATOM 0 HA ILE A 13 8.491 3.163 1.872 1.00 0.00 H new ATOM 0 HB ILE A 13 9.953 5.014 3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.541 2.005 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.041 2.765 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.222 4.305 5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.514 5.124 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.432 3.351 4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.125 2.105 5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.216 3.876 5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.692 3.104 6.189 1.00 0.00 H new ATOM 192 N GLU A 14 9.330 6.257 1.203 1.00 0.00 N ATOM 193 CA GLU A 14 8.853 7.554 0.749 1.00 0.00 C ATOM 194 C GLU A 14 8.308 7.456 -0.671 1.00 0.00 C ATOM 195 O GLU A 14 7.326 8.112 -1.015 1.00 0.00 O ATOM 196 CB GLU A 14 9.977 8.589 0.842 1.00 0.00 C ATOM 197 CG GLU A 14 9.578 9.990 0.423 1.00 0.00 C ATOM 198 CD GLU A 14 10.614 11.018 0.822 1.00 0.00 C ATOM 199 OE1 GLU A 14 11.778 10.903 0.378 1.00 0.00 O ATOM 200 OE2 GLU A 14 10.279 11.925 1.613 1.00 0.00 O ATOM 0 H GLU A 14 10.345 6.160 1.205 1.00 0.00 H new ATOM 0 HA GLU A 14 8.038 7.878 1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.341 8.620 1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.809 8.260 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.436 10.019 -0.657 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.620 10.245 0.877 1.00 0.00 H new ATOM 207 N LYS A 15 8.927 6.614 -1.493 1.00 0.00 N ATOM 208 CA LYS A 15 8.422 6.374 -2.839 1.00 0.00 C ATOM 209 C LYS A 15 7.135 5.557 -2.773 1.00 0.00 C ATOM 210 O LYS A 15 6.258 5.695 -3.623 1.00 0.00 O ATOM 211 CB LYS A 15 9.463 5.657 -3.704 1.00 0.00 C ATOM 212 CG LYS A 15 9.103 5.622 -5.183 1.00 0.00 C ATOM 213 CD LYS A 15 9.025 7.024 -5.774 1.00 0.00 C ATOM 214 CE LYS A 15 8.589 7.003 -7.235 1.00 0.00 C ATOM 215 NZ LYS A 15 7.174 6.566 -7.401 1.00 0.00 N ATOM 0 H LYS A 15 9.770 6.092 -1.254 1.00 0.00 H new ATOM 0 HA LYS A 15 8.212 7.339 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.427 6.152 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.583 4.636 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.847 5.039 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.145 5.118 -5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.323 7.623 -5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.999 7.507 -5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.711 7.999 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.241 6.334 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.873 6.729 -8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.095 5.553 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.565 7.111 -6.758 1.00 0.00 H new ATOM 229 N ALA A 16 7.024 4.714 -1.750 1.00 0.00 N ATOM 230 CA ALA A 16 5.794 3.975 -1.502 1.00 0.00 C ATOM 231 C ALA A 16 4.699 4.936 -1.058 1.00 0.00 C ATOM 232 O ALA A 16 3.527 4.762 -1.391 1.00 0.00 O ATOM 233 CB ALA A 16 6.021 2.894 -0.457 1.00 0.00 C ATOM 0 H ALA A 16 7.771 4.527 -1.081 1.00 0.00 H new ATOM 0 HA ALA A 16 5.480 3.487 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.091 2.353 -0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.784 2.201 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.351 3.353 0.475 1.00 0.00 H new ATOM 239 N LEU A 17 5.101 5.957 -0.307 1.00 0.00 N ATOM 240 CA LEU A 17 4.196 7.025 0.090 1.00 0.00 C ATOM 241 C LEU A 17 3.662 7.733 -1.150 1.00 0.00 C ATOM 242 O LEU A 17 2.473 8.015 -1.250 1.00 0.00 O ATOM 243 CB LEU A 17 4.923 8.029 0.991 1.00 0.00 C ATOM 244 CG LEU A 17 4.053 9.155 1.549 1.00 0.00 C ATOM 245 CD1 LEU A 17 3.077 8.609 2.577 1.00 0.00 C ATOM 246 CD2 LEU A 17 4.918 10.246 2.156 1.00 0.00 C ATOM 0 H LEU A 17 6.054 6.065 0.040 1.00 0.00 H new ATOM 0 HA LEU A 17 3.363 6.595 0.646 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.367 7.487 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.743 8.472 0.426 1.00 0.00 H new ATOM 0 HG LEU A 17 3.481 9.590 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.464 9.423 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.435 7.863 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.630 8.149 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.281 11.039 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.517 9.828 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.578 10.655 1.391 1.00 0.00 H new ATOM 258 N ASP A 18 4.562 8.003 -2.089 1.00 0.00 N ATOM 259 CA ASP A 18 4.213 8.624 -3.370 1.00 0.00 C ATOM 260 C ASP A 18 3.279 7.727 -4.186 1.00 0.00 C ATOM 261 O ASP A 18 2.393 8.210 -4.887 1.00 0.00 O ATOM 262 CB ASP A 18 5.495 8.920 -4.158 1.00 0.00 C ATOM 263 CG ASP A 18 5.245 9.240 -5.621 1.00 0.00 C ATOM 264 OD1 ASP A 18 4.809 10.367 -5.930 1.00 0.00 O ATOM 265 OD2 ASP A 18 5.496 8.356 -6.470 1.00 0.00 O ATOM 0 H ASP A 18 5.556 7.799 -1.987 1.00 0.00 H new ATOM 0 HA ASP A 18 3.684 9.556 -3.173 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.012 9.760 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.160 8.059 -4.091 1.00 0.00 H new ATOM 270 N PHE A 19 3.484 6.422 -4.081 1.00 0.00 N ATOM 271 CA PHE A 19 2.655 5.454 -4.793 1.00 0.00 C ATOM 272 C PHE A 19 1.206 5.490 -4.308 1.00 0.00 C ATOM 273 O PHE A 19 0.275 5.524 -5.110 1.00 0.00 O ATOM 274 CB PHE A 19 3.220 4.042 -4.622 1.00 0.00 C ATOM 275 CG PHE A 19 3.907 3.515 -5.850 1.00 0.00 C ATOM 276 CD1 PHE A 19 5.255 3.748 -6.072 1.00 0.00 C ATOM 277 CD2 PHE A 19 3.199 2.778 -6.784 1.00 0.00 C ATOM 278 CE1 PHE A 19 5.881 3.257 -7.204 1.00 0.00 C ATOM 279 CE2 PHE A 19 3.815 2.284 -7.913 1.00 0.00 C ATOM 280 CZ PHE A 19 5.156 2.521 -8.126 1.00 0.00 C ATOM 0 H PHE A 19 4.219 6.006 -3.509 1.00 0.00 H new ATOM 0 HA PHE A 19 2.668 5.726 -5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.927 4.041 -3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.409 3.366 -4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.823 4.319 -5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.148 2.587 -6.625 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.931 3.447 -7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.247 1.711 -8.631 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.640 2.133 -9.010 1.00 0.00 H new ATOM 290 N ILE A 20 1.024 5.485 -2.994 1.00 0.00 N ATOM 291 CA ILE A 20 -0.312 5.447 -2.413 1.00 0.00 C ATOM 292 C ILE A 20 -0.884 6.854 -2.237 1.00 0.00 C ATOM 293 O ILE A 20 -1.914 7.195 -2.813 1.00 0.00 O ATOM 294 CB ILE A 20 -0.313 4.718 -1.049 1.00 0.00 C ATOM 295 CG1 ILE A 20 0.242 3.299 -1.209 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.720 4.675 -0.468 1.00 0.00 C ATOM 297 CD1 ILE A 20 0.341 2.531 0.093 1.00 0.00 C ATOM 0 H ILE A 20 1.782 5.507 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.943 4.894 -3.109 1.00 0.00 H new ATOM 0 HB ILE A 20 0.327 5.269 -0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.395 2.745 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.231 3.355 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.702 4.158 0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.086 5.692 -0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.381 4.144 -1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.742 1.536 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.002 3.061 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.649 2.442 0.539 1.00 0.00 H new ATOM 309 N GLY A 21 -0.194 7.673 -1.459 1.00 0.00 N ATOM 310 CA GLY A 21 -0.694 8.996 -1.145 1.00 0.00 C ATOM 311 C GLY A 21 0.097 10.088 -1.836 1.00 0.00 C ATOM 312 O GLY A 21 0.409 11.116 -1.232 1.00 0.00 O ATOM 0 H GLY A 21 0.706 7.445 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.741 9.066 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.656 9.150 -0.067 1.00 0.00 H new ATOM 316 N GLY A 22 0.425 9.865 -3.104 1.00 0.00 N ATOM 317 CA GLY A 22 1.179 10.845 -3.867 1.00 0.00 C ATOM 318 C GLY A 22 0.330 12.031 -4.274 1.00 0.00 C ATOM 319 O GLY A 22 -0.133 12.108 -5.415 1.00 0.00 O ATOM 0 H GLY A 22 0.181 9.019 -3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.024 11.193 -3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.589 10.371 -4.759 1.00 0.00 H new ATOM 323 N MET A 23 0.103 12.937 -3.320 1.00 0.00 N ATOM 324 CA MET A 23 -0.693 14.151 -3.535 1.00 0.00 C ATOM 325 C MET A 23 -2.169 13.798 -3.732 1.00 0.00 C ATOM 326 O MET A 23 -2.987 14.642 -4.099 1.00 0.00 O ATOM 327 CB MET A 23 -0.155 14.954 -4.730 1.00 0.00 C ATOM 328 CG MET A 23 -0.731 16.359 -4.841 1.00 0.00 C ATOM 329 SD MET A 23 -0.095 17.263 -6.267 1.00 0.00 S ATOM 330 CE MET A 23 -0.928 18.835 -6.053 1.00 0.00 C ATOM 0 H MET A 23 0.467 12.850 -2.371 1.00 0.00 H new ATOM 0 HA MET A 23 -0.609 14.777 -2.647 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.930 15.022 -4.650 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.373 14.409 -5.649 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.817 16.297 -4.910 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.501 16.914 -3.932 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.641 19.512 -6.858 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.007 18.681 -6.076 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.644 19.270 -5.095 1.00 0.00 H new ATOM 340 N ASN A 24 -2.507 12.545 -3.463 1.00 0.00 N ATOM 341 CA ASN A 24 -3.882 12.083 -3.576 1.00 0.00 C ATOM 342 C ASN A 24 -4.687 12.559 -2.376 1.00 0.00 C ATOM 343 O ASN A 24 -4.851 11.838 -1.395 1.00 0.00 O ATOM 344 CB ASN A 24 -3.945 10.554 -3.693 1.00 0.00 C ATOM 345 CG ASN A 24 -3.289 10.039 -4.962 1.00 0.00 C ATOM 346 OD1 ASN A 24 -3.279 10.716 -5.989 1.00 0.00 O ATOM 347 ND2 ASN A 24 -2.734 8.838 -4.905 1.00 0.00 N ATOM 0 H ASN A 24 -1.845 11.829 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.313 12.504 -4.485 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.456 10.106 -2.828 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.987 10.234 -3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.279 8.447 -5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.761 8.304 -4.036 1.00 0.00 H new ATOM 354 N THR A 25 -5.148 13.799 -2.446 1.00 0.00 N ATOM 355 CA THR A 25 -5.885 14.396 -1.346 1.00 0.00 C ATOM 356 C THR A 25 -7.388 14.383 -1.631 1.00 0.00 C ATOM 357 O THR A 25 -8.206 14.618 -0.738 1.00 0.00 O ATOM 358 CB THR A 25 -5.397 15.838 -1.066 1.00 0.00 C ATOM 359 OG1 THR A 25 -5.918 16.303 0.184 1.00 0.00 O ATOM 360 CG2 THR A 25 -5.812 16.791 -2.180 1.00 0.00 C ATOM 0 H THR A 25 -5.024 14.410 -3.253 1.00 0.00 H new ATOM 0 HA THR A 25 -5.698 13.797 -0.454 1.00 0.00 H new ATOM 0 HB THR A 25 -4.308 15.817 -1.021 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.816 15.603 0.862 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.454 17.795 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.381 16.457 -3.124 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.899 16.804 -2.262 1.00 0.00 H new ATOM 368 N SER A 26 -7.748 14.095 -2.874 1.00 0.00 N ATOM 369 CA SER A 26 -9.145 14.020 -3.262 1.00 0.00 C ATOM 370 C SER A 26 -9.533 12.572 -3.524 1.00 0.00 C ATOM 371 O SER A 26 -9.177 12.005 -4.557 1.00 0.00 O ATOM 372 CB SER A 26 -9.404 14.875 -4.508 1.00 0.00 C ATOM 373 OG SER A 26 -10.766 14.816 -4.904 1.00 0.00 O ATOM 0 H SER A 26 -7.089 13.910 -3.630 1.00 0.00 H new ATOM 0 HA SER A 26 -9.756 14.408 -2.447 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.127 15.910 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.771 14.530 -5.325 1.00 0.00 H new ATOM 0 HG SER A 26 -10.900 15.372 -5.700 1.00 0.00 H new ATOM 379 N ALA A 27 -10.231 11.970 -2.570 1.00 0.00 N ATOM 380 CA ALA A 27 -10.707 10.601 -2.702 1.00 0.00 C ATOM 381 C ALA A 27 -11.797 10.337 -1.684 1.00 0.00 C ATOM 382 O ALA A 27 -11.785 10.925 -0.606 1.00 0.00 O ATOM 383 CB ALA A 27 -9.571 9.614 -2.508 1.00 0.00 C ATOM 0 H ALA A 27 -10.482 12.415 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.109 10.470 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.951 8.597 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.802 9.792 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.143 9.742 -1.514 1.00 0.00 H new ATOM 389 N SER A 28 -12.737 9.463 -2.017 1.00 0.00 N ATOM 390 CA SER A 28 -13.811 9.126 -1.092 1.00 0.00 C ATOM 391 C SER A 28 -14.701 8.058 -1.706 1.00 0.00 C ATOM 392 O SER A 28 -14.721 6.912 -1.259 1.00 0.00 O ATOM 393 CB SER A 28 -14.641 10.370 -0.747 1.00 0.00 C ATOM 394 OG SER A 28 -15.397 10.175 0.433 1.00 0.00 O ATOM 0 H SER A 28 -12.778 8.978 -2.913 1.00 0.00 H new ATOM 0 HA SER A 28 -13.371 8.743 -0.171 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.979 11.227 -0.620 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.310 10.604 -1.575 1.00 0.00 H new ATOM 0 HG SER A 28 -15.131 10.837 1.105 1.00 0.00 H new ATOM 400 N VAL A 29 -15.421 8.444 -2.746 1.00 0.00 N ATOM 401 CA VAL A 29 -16.211 7.503 -3.522 1.00 0.00 C ATOM 402 C VAL A 29 -15.250 6.582 -4.265 1.00 0.00 C ATOM 403 O VAL A 29 -14.207 7.060 -4.711 1.00 0.00 O ATOM 404 CB VAL A 29 -17.125 8.250 -4.528 1.00 0.00 C ATOM 405 CG1 VAL A 29 -17.983 7.289 -5.336 1.00 0.00 C ATOM 406 CG2 VAL A 29 -18.001 9.260 -3.804 1.00 0.00 C ATOM 0 H VAL A 29 -15.475 9.408 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.855 6.925 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 29 -16.476 8.779 -5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.608 7.853 -6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.340 6.611 -5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -18.617 6.713 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -18.636 9.775 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.625 8.744 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -17.371 9.987 -3.292 1.00 0.00 H new ATOM 416 N PRO A 30 -15.562 5.262 -4.357 1.00 0.00 N ATOM 417 CA PRO A 30 -14.727 4.255 -5.021 1.00 0.00 C ATOM 418 C PRO A 30 -13.827 4.830 -6.107 1.00 0.00 C ATOM 419 O PRO A 30 -14.284 5.205 -7.192 1.00 0.00 O ATOM 420 CB PRO A 30 -15.779 3.320 -5.601 1.00 0.00 C ATOM 421 CG PRO A 30 -16.881 3.330 -4.587 1.00 0.00 C ATOM 422 CD PRO A 30 -16.774 4.630 -3.814 1.00 0.00 C ATOM 0 HA PRO A 30 -14.019 3.779 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -16.129 3.669 -6.573 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.382 2.316 -5.747 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.852 3.253 -5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.793 2.476 -3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.653 5.257 -3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.687 4.452 -2.742 1.00 0.00 H new ATOM 430 N HIS A 31 -12.546 4.925 -5.781 1.00 0.00 N ATOM 431 CA HIS A 31 -11.592 5.630 -6.616 1.00 0.00 C ATOM 432 C HIS A 31 -10.836 4.665 -7.531 1.00 0.00 C ATOM 433 O HIS A 31 -10.899 3.448 -7.354 1.00 0.00 O ATOM 434 CB HIS A 31 -10.616 6.416 -5.745 1.00 0.00 C ATOM 435 CG HIS A 31 -10.785 7.897 -5.871 1.00 0.00 C ATOM 436 ND1 HIS A 31 -9.792 8.723 -6.338 1.00 0.00 N ATOM 437 CD2 HIS A 31 -11.843 8.699 -5.609 1.00 0.00 C ATOM 438 CE1 HIS A 31 -10.231 9.961 -6.372 1.00 0.00 C ATOM 439 NE2 HIS A 31 -11.473 9.979 -5.934 1.00 0.00 N ATOM 0 H HIS A 31 -12.144 4.518 -4.937 1.00 0.00 H new ATOM 0 HA HIS A 31 -12.142 6.326 -7.250 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.753 6.127 -4.703 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.596 6.147 -6.018 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -8.858 8.422 -6.616 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.800 8.389 -5.217 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.667 10.820 -6.704 1.00 0.00 H new ATOM 448 N SER A 32 -10.120 5.207 -8.508 1.00 0.00 N ATOM 449 CA SER A 32 -9.366 4.379 -9.442 1.00 0.00 C ATOM 450 C SER A 32 -7.896 4.266 -9.036 1.00 0.00 C ATOM 451 O SER A 32 -7.486 3.278 -8.425 1.00 0.00 O ATOM 452 CB SER A 32 -9.477 4.954 -10.855 1.00 0.00 C ATOM 453 OG SER A 32 -9.275 6.361 -10.847 1.00 0.00 O ATOM 0 H SER A 32 -10.045 6.211 -8.674 1.00 0.00 H new ATOM 0 HA SER A 32 -9.794 3.377 -9.421 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.740 4.480 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.459 4.726 -11.269 1.00 0.00 H new ATOM 0 HG SER A 32 -9.349 6.707 -11.761 1.00 0.00 H new ATOM 459 N MET A 33 -7.127 5.303 -9.360 1.00 0.00 N ATOM 460 CA MET A 33 -5.681 5.335 -9.137 1.00 0.00 C ATOM 461 C MET A 33 -5.323 4.979 -7.697 1.00 0.00 C ATOM 462 O MET A 33 -4.669 3.972 -7.430 1.00 0.00 O ATOM 463 CB MET A 33 -5.155 6.739 -9.482 1.00 0.00 C ATOM 464 CG MET A 33 -3.700 7.002 -9.104 1.00 0.00 C ATOM 465 SD MET A 33 -2.505 6.211 -10.203 1.00 0.00 S ATOM 466 CE MET A 33 -2.493 4.536 -9.578 1.00 0.00 C ATOM 0 H MET A 33 -7.492 6.153 -9.789 1.00 0.00 H new ATOM 0 HA MET A 33 -5.214 4.589 -9.780 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.269 6.898 -10.554 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.782 7.477 -8.982 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.523 8.078 -9.105 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.530 6.652 -8.086 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.511 4.093 -9.744 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.711 4.545 -8.510 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.249 3.948 -10.098 1.00 0.00 H new ATOM 476 N ASP A 34 -5.789 5.796 -6.780 1.00 0.00 N ATOM 477 CA ASP A 34 -5.417 5.690 -5.381 1.00 0.00 C ATOM 478 C ASP A 34 -6.110 4.528 -4.676 1.00 0.00 C ATOM 479 O ASP A 34 -5.707 4.137 -3.583 1.00 0.00 O ATOM 480 CB ASP A 34 -5.749 7.004 -4.681 1.00 0.00 C ATOM 481 CG ASP A 34 -7.141 7.486 -5.029 1.00 0.00 C ATOM 482 OD1 ASP A 34 -7.354 7.910 -6.194 1.00 0.00 O ATOM 483 OD2 ASP A 34 -8.029 7.428 -4.163 1.00 0.00 O ATOM 0 H ASP A 34 -6.439 6.556 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.347 5.491 -5.332 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.668 6.872 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.019 7.762 -4.965 1.00 0.00 H new ATOM 488 N GLU A 35 -7.144 3.967 -5.286 1.00 0.00 N ATOM 489 CA GLU A 35 -7.850 2.858 -4.661 1.00 0.00 C ATOM 490 C GLU A 35 -7.461 1.519 -5.287 1.00 0.00 C ATOM 491 O GLU A 35 -6.723 0.740 -4.687 1.00 0.00 O ATOM 492 CB GLU A 35 -9.364 3.042 -4.726 1.00 0.00 C ATOM 493 CG GLU A 35 -10.117 1.988 -3.929 1.00 0.00 C ATOM 494 CD GLU A 35 -11.618 2.100 -4.038 1.00 0.00 C ATOM 495 OE1 GLU A 35 -12.171 3.154 -3.658 1.00 0.00 O ATOM 496 OE2 GLU A 35 -12.256 1.113 -4.461 1.00 0.00 O ATOM 0 H GLU A 35 -7.507 4.254 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.550 2.850 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.622 4.031 -4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.686 3.004 -5.767 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.810 0.999 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.831 2.066 -2.880 1.00 0.00 H new ATOM 503 N SER A 36 -7.951 1.260 -6.498 1.00 0.00 N ATOM 504 CA SER A 36 -7.789 -0.051 -7.123 1.00 0.00 C ATOM 505 C SER A 36 -6.317 -0.414 -7.335 1.00 0.00 C ATOM 506 O SER A 36 -5.923 -1.561 -7.132 1.00 0.00 O ATOM 507 CB SER A 36 -8.563 -0.117 -8.444 1.00 0.00 C ATOM 508 OG SER A 36 -8.162 0.905 -9.340 1.00 0.00 O ATOM 0 H SER A 36 -8.462 1.938 -7.064 1.00 0.00 H new ATOM 0 HA SER A 36 -8.203 -0.790 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.406 -1.090 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.631 -0.027 -8.245 1.00 0.00 H new ATOM 0 HG SER A 36 -7.628 1.571 -8.859 1.00 0.00 H new ATOM 514 N THR A 37 -5.502 0.560 -7.722 1.00 0.00 N ATOM 515 CA THR A 37 -4.083 0.305 -7.920 1.00 0.00 C ATOM 516 C THR A 37 -3.396 0.062 -6.586 1.00 0.00 C ATOM 517 O THR A 37 -2.568 -0.842 -6.462 1.00 0.00 O ATOM 518 CB THR A 37 -3.394 1.468 -8.651 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.064 1.721 -9.893 1.00 0.00 O ATOM 520 CG2 THR A 37 -1.929 1.150 -8.917 1.00 0.00 C ATOM 0 H THR A 37 -5.795 1.520 -7.902 1.00 0.00 H new ATOM 0 HA THR A 37 -3.997 -0.587 -8.541 1.00 0.00 H new ATOM 0 HB THR A 37 -3.446 2.353 -8.017 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.699 1.133 -10.587 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.463 1.988 -9.435 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.416 0.978 -7.971 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.857 0.256 -9.536 1.00 0.00 H new ATOM 528 N ALA A 38 -3.766 0.849 -5.581 1.00 0.00 N ATOM 529 CA ALA A 38 -3.182 0.705 -4.258 1.00 0.00 C ATOM 530 C ALA A 38 -3.536 -0.657 -3.662 1.00 0.00 C ATOM 531 O ALA A 38 -2.721 -1.275 -2.976 1.00 0.00 O ATOM 532 CB ALA A 38 -3.635 1.823 -3.337 1.00 0.00 C ATOM 0 H ALA A 38 -4.464 1.589 -5.659 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.099 0.769 -4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.183 1.690 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.327 2.783 -3.751 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.721 1.800 -3.243 1.00 0.00 H new ATOM 538 N LYS A 39 -4.757 -1.120 -3.934 1.00 0.00 N ATOM 539 CA LYS A 39 -5.188 -2.458 -3.531 1.00 0.00 C ATOM 540 C LYS A 39 -4.264 -3.512 -4.128 1.00 0.00 C ATOM 541 O LYS A 39 -3.874 -4.466 -3.453 1.00 0.00 O ATOM 542 CB LYS A 39 -6.627 -2.725 -3.989 1.00 0.00 C ATOM 543 CG LYS A 39 -7.683 -1.925 -3.245 1.00 0.00 C ATOM 544 CD LYS A 39 -9.060 -2.132 -3.862 1.00 0.00 C ATOM 545 CE LYS A 39 -10.147 -1.452 -3.046 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.471 -1.508 -3.727 1.00 0.00 N ATOM 0 H LYS A 39 -5.467 -0.585 -4.434 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.146 -2.513 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.703 -2.502 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.842 -3.787 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.701 -2.226 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.426 -0.866 -3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.067 -1.738 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.271 -3.199 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.221 -1.931 -2.069 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.872 -0.412 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.226 -1.558 -3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.599 -0.655 -4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.513 -2.351 -4.335 1.00 0.00 H new ATOM 560 N GLY A 40 -3.924 -3.332 -5.399 1.00 0.00 N ATOM 561 CA GLY A 40 -3.008 -4.239 -6.060 1.00 0.00 C ATOM 562 C GLY A 40 -1.628 -4.198 -5.441 1.00 0.00 C ATOM 563 O GLY A 40 -1.014 -5.237 -5.217 1.00 0.00 O ATOM 0 H GLY A 40 -4.268 -2.571 -5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.400 -5.255 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.940 -3.980 -7.117 1.00 0.00 H new ATOM 567 N ILE A 41 -1.152 -2.993 -5.160 1.00 0.00 N ATOM 568 CA ILE A 41 0.134 -2.796 -4.500 1.00 0.00 C ATOM 569 C ILE A 41 0.147 -3.488 -3.140 1.00 0.00 C ATOM 570 O ILE A 41 1.054 -4.262 -2.826 1.00 0.00 O ATOM 571 CB ILE A 41 0.430 -1.291 -4.304 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.482 -0.579 -5.659 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.737 -1.093 -3.546 1.00 0.00 C ATOM 574 CD1 ILE A 41 0.584 0.927 -5.552 1.00 0.00 C ATOM 0 H ILE A 41 -1.643 -2.127 -5.381 1.00 0.00 H new ATOM 0 HA ILE A 41 0.903 -3.230 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.376 -0.856 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.336 -0.953 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.412 -0.834 -6.228 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.926 -0.027 -3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.666 -1.568 -2.568 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.555 -1.542 -4.109 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.616 1.361 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.283 1.313 -5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.492 1.193 -5.011 1.00 0.00 H new ATOM 586 N LEU A 42 -0.882 -3.213 -2.354 1.00 0.00 N ATOM 587 CA LEU A 42 -1.010 -3.757 -1.012 1.00 0.00 C ATOM 588 C LEU A 42 -0.991 -5.281 -1.022 1.00 0.00 C ATOM 589 O LEU A 42 -0.256 -5.909 -0.254 1.00 0.00 O ATOM 590 CB LEU A 42 -2.312 -3.259 -0.387 1.00 0.00 C ATOM 591 CG LEU A 42 -2.554 -3.693 1.056 1.00 0.00 C ATOM 592 CD1 LEU A 42 -1.534 -3.054 1.979 1.00 0.00 C ATOM 593 CD2 LEU A 42 -3.962 -3.330 1.487 1.00 0.00 C ATOM 0 H LEU A 42 -1.653 -2.605 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.158 -3.418 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.321 -2.170 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.145 -3.607 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.442 -4.776 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.720 -3.374 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.531 -3.360 1.680 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.616 -1.969 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.120 -3.646 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.098 -2.251 1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.681 -3.832 0.840 1.00 0.00 H new ATOM 605 N LYS A 43 -1.796 -5.874 -1.892 1.00 0.00 N ATOM 606 CA LYS A 43 -1.896 -7.322 -1.950 1.00 0.00 C ATOM 607 C LYS A 43 -0.631 -7.923 -2.557 1.00 0.00 C ATOM 608 O LYS A 43 -0.244 -9.035 -2.208 1.00 0.00 O ATOM 609 CB LYS A 43 -3.137 -7.758 -2.740 1.00 0.00 C ATOM 610 CG LYS A 43 -3.424 -9.248 -2.625 1.00 0.00 C ATOM 611 CD LYS A 43 -4.732 -9.642 -3.298 1.00 0.00 C ATOM 612 CE LYS A 43 -5.925 -8.935 -2.674 1.00 0.00 C ATOM 613 NZ LYS A 43 -7.214 -9.541 -3.100 1.00 0.00 N ATOM 0 H LYS A 43 -2.384 -5.378 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.000 -7.694 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.002 -7.199 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.001 -7.500 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.604 -9.809 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.462 -9.528 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.681 -9.401 -4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.869 -10.721 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.845 -8.978 -1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.909 -7.881 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.002 -9.031 -2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.303 -9.477 -4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.240 -10.540 -2.811 1.00 0.00 H new ATOM 627 N TYR A 44 0.020 -7.174 -3.444 1.00 0.00 N ATOM 628 CA TYR A 44 1.258 -7.626 -4.072 1.00 0.00 C ATOM 629 C TYR A 44 2.367 -7.801 -3.040 1.00 0.00 C ATOM 630 O TYR A 44 3.039 -8.829 -3.011 1.00 0.00 O ATOM 631 CB TYR A 44 1.709 -6.646 -5.161 1.00 0.00 C ATOM 632 CG TYR A 44 3.068 -6.977 -5.734 1.00 0.00 C ATOM 633 CD1 TYR A 44 3.242 -8.080 -6.555 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.179 -6.203 -5.428 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.484 -8.402 -7.061 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.427 -6.518 -5.925 1.00 0.00 C ATOM 637 CZ TYR A 44 5.574 -7.620 -6.744 1.00 0.00 C ATOM 638 OH TYR A 44 6.814 -7.952 -7.242 1.00 0.00 O ATOM 0 H TYR A 44 -0.290 -6.250 -3.744 1.00 0.00 H new ATOM 0 HA TYR A 44 1.057 -8.594 -4.532 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.974 -6.643 -5.965 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.732 -5.638 -4.747 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.391 -8.697 -6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.065 -5.339 -4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.602 -9.263 -7.703 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.282 -5.907 -5.675 1.00 0.00 H new ATOM 0 HH TYR A 44 6.710 -8.401 -8.107 1.00 0.00 H new ATOM 648 N LEU A 45 2.561 -6.798 -2.193 1.00 0.00 N ATOM 649 CA LEU A 45 3.596 -6.876 -1.167 1.00 0.00 C ATOM 650 C LEU A 45 3.244 -7.933 -0.126 1.00 0.00 C ATOM 651 O LEU A 45 4.125 -8.593 0.430 1.00 0.00 O ATOM 652 CB LEU A 45 3.828 -5.512 -0.510 1.00 0.00 C ATOM 653 CG LEU A 45 4.785 -4.585 -1.272 1.00 0.00 C ATOM 654 CD1 LEU A 45 4.116 -4.006 -2.507 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.295 -3.470 -0.375 1.00 0.00 C ATOM 0 H LEU A 45 2.024 -5.931 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 45 4.527 -7.172 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.867 -5.009 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.221 -5.670 0.494 1.00 0.00 H new ATOM 0 HG LEU A 45 5.638 -5.183 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.816 -3.353 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.813 -4.816 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.238 -3.433 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.971 -2.828 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.453 -2.880 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.828 -3.900 0.473 1.00 0.00 H new ATOM 667 N HIS A 46 1.954 -8.110 0.118 1.00 0.00 N ATOM 668 CA HIS A 46 1.487 -9.181 0.983 1.00 0.00 C ATOM 669 C HIS A 46 1.779 -10.533 0.336 1.00 0.00 C ATOM 670 O HIS A 46 2.121 -11.498 1.016 1.00 0.00 O ATOM 671 CB HIS A 46 -0.013 -9.041 1.239 1.00 0.00 C ATOM 672 CG HIS A 46 -0.561 -10.060 2.190 1.00 0.00 C ATOM 673 ND1 HIS A 46 -1.357 -11.114 1.800 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.438 -10.163 3.531 1.00 0.00 C ATOM 675 CE1 HIS A 46 -1.704 -11.815 2.863 1.00 0.00 C ATOM 676 NE2 HIS A 46 -1.158 -11.257 3.925 1.00 0.00 N ATOM 0 H HIS A 46 1.213 -7.526 -0.271 1.00 0.00 H new ATOM 0 HA HIS A 46 2.012 -9.117 1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.214 -8.045 1.633 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.543 -9.121 0.290 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.125 -9.503 4.174 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.329 -12.696 2.863 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.256 -11.587 4.885 1.00 0.00 H new ATOM 685 N ASP A 47 1.636 -10.582 -0.985 1.00 0.00 N ATOM 686 CA ASP A 47 1.908 -11.789 -1.754 1.00 0.00 C ATOM 687 C ASP A 47 3.386 -12.142 -1.676 1.00 0.00 C ATOM 688 O ASP A 47 3.751 -13.317 -1.611 1.00 0.00 O ATOM 689 CB ASP A 47 1.487 -11.594 -3.211 1.00 0.00 C ATOM 690 CG ASP A 47 1.704 -12.831 -4.056 1.00 0.00 C ATOM 691 OD1 ASP A 47 0.979 -13.828 -3.852 1.00 0.00 O ATOM 692 OD2 ASP A 47 2.586 -12.806 -4.943 1.00 0.00 O ATOM 0 H ASP A 47 1.330 -9.789 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 47 1.330 -12.610 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.434 -11.316 -3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.050 -10.764 -3.639 1.00 0.00 H new ATOM 697 N LEU A 48 4.228 -11.112 -1.668 1.00 0.00 N ATOM 698 CA LEU A 48 5.660 -11.295 -1.474 1.00 0.00 C ATOM 699 C LEU A 48 5.924 -11.877 -0.091 1.00 0.00 C ATOM 700 O LEU A 48 6.683 -12.835 0.060 1.00 0.00 O ATOM 701 CB LEU A 48 6.402 -9.962 -1.620 1.00 0.00 C ATOM 702 CG LEU A 48 6.251 -9.271 -2.975 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.965 -7.929 -2.962 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.789 -10.154 -4.091 1.00 0.00 C ATOM 0 H LEU A 48 3.941 -10.141 -1.794 1.00 0.00 H new ATOM 0 HA LEU A 48 6.025 -11.983 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.049 -9.283 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.462 -10.134 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 48 5.191 -9.099 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.850 -7.446 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.533 -7.295 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.024 -8.082 -2.756 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.672 -9.644 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.845 -10.359 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.236 -11.093 -4.111 1.00 0.00 H new ATOM 716 N GLY A 49 5.279 -11.296 0.914 1.00 0.00 N ATOM 717 CA GLY A 49 5.400 -11.802 2.263 1.00 0.00 C ATOM 718 C GLY A 49 5.044 -10.762 3.302 1.00 0.00 C ATOM 719 O GLY A 49 4.159 -10.979 4.131 1.00 0.00 O ATOM 0 H GLY A 49 4.673 -10.481 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.750 -12.669 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.421 -12.144 2.430 1.00 0.00 H new ATOM 723 N VAL A 50 5.712 -9.620 3.244 1.00 0.00 N ATOM 724 CA VAL A 50 5.551 -8.587 4.248 1.00 0.00 C ATOM 725 C VAL A 50 4.493 -7.556 3.851 1.00 0.00 C ATOM 726 O VAL A 50 4.658 -6.817 2.880 1.00 0.00 O ATOM 727 CB VAL A 50 6.893 -7.880 4.523 1.00 0.00 C ATOM 728 CG1 VAL A 50 7.804 -8.780 5.346 1.00 0.00 C ATOM 729 CG2 VAL A 50 7.580 -7.472 3.224 1.00 0.00 C ATOM 0 H VAL A 50 6.375 -9.387 2.505 1.00 0.00 H new ATOM 0 HA VAL A 50 5.210 -9.081 5.158 1.00 0.00 H new ATOM 0 HB VAL A 50 6.686 -6.973 5.091 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.748 -8.269 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.323 -9.013 6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.994 -9.704 4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.524 -6.976 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.773 -8.359 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.935 -6.789 2.670 1.00 0.00 H new ATOM 739 N PRO A 51 3.377 -7.508 4.591 1.00 0.00 N ATOM 740 CA PRO A 51 2.341 -6.501 4.394 1.00 0.00 C ATOM 741 C PRO A 51 2.606 -5.245 5.224 1.00 0.00 C ATOM 742 O PRO A 51 3.290 -5.301 6.247 1.00 0.00 O ATOM 743 CB PRO A 51 1.088 -7.217 4.895 1.00 0.00 C ATOM 744 CG PRO A 51 1.576 -8.128 5.978 1.00 0.00 C ATOM 745 CD PRO A 51 3.026 -8.439 5.679 1.00 0.00 C ATOM 0 HA PRO A 51 2.276 -6.155 3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.353 -6.508 5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.606 -7.777 4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.477 -7.653 6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.984 -9.043 6.007 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.656 -8.284 6.555 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.156 -9.477 5.373 1.00 0.00 H new ATOM 753 N VAL A 52 2.074 -4.115 4.785 1.00 0.00 N ATOM 754 CA VAL A 52 2.210 -2.882 5.541 1.00 0.00 C ATOM 755 C VAL A 52 1.098 -2.793 6.584 1.00 0.00 C ATOM 756 O VAL A 52 -0.058 -3.112 6.302 1.00 0.00 O ATOM 757 CB VAL A 52 2.200 -1.630 4.624 1.00 0.00 C ATOM 758 CG1 VAL A 52 0.888 -1.510 3.864 1.00 0.00 C ATOM 759 CG2 VAL A 52 2.471 -0.368 5.428 1.00 0.00 C ATOM 0 H VAL A 52 1.548 -4.027 3.916 1.00 0.00 H new ATOM 0 HA VAL A 52 3.178 -2.901 6.042 1.00 0.00 H new ATOM 0 HB VAL A 52 3.000 -1.750 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.914 -0.623 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.745 -2.394 3.243 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.064 -1.427 4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.459 0.496 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.701 -0.250 6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.447 -0.444 5.907 1.00 0.00 H new ATOM 769 N SER A 53 1.459 -2.401 7.794 1.00 0.00 N ATOM 770 CA SER A 53 0.504 -2.317 8.888 1.00 0.00 C ATOM 771 C SER A 53 -0.250 -0.988 8.837 1.00 0.00 C ATOM 772 O SER A 53 0.294 0.023 8.376 1.00 0.00 O ATOM 773 CB SER A 53 1.242 -2.462 10.223 1.00 0.00 C ATOM 774 OG SER A 53 2.154 -3.550 10.177 1.00 0.00 O ATOM 0 H SER A 53 2.411 -2.135 8.045 1.00 0.00 H new ATOM 0 HA SER A 53 -0.222 -3.124 8.791 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.779 -1.541 10.450 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.523 -2.618 11.027 1.00 0.00 H new ATOM 0 HG SER A 53 2.617 -3.626 11.038 1.00 0.00 H new ATOM 780 N PRO A 54 -1.516 -0.974 9.298 1.00 0.00 N ATOM 781 CA PRO A 54 -2.344 0.241 9.334 1.00 0.00 C ATOM 782 C PRO A 54 -1.669 1.376 10.098 1.00 0.00 C ATOM 783 O PRO A 54 -1.904 2.549 9.805 1.00 0.00 O ATOM 784 CB PRO A 54 -3.616 -0.213 10.053 1.00 0.00 C ATOM 785 CG PRO A 54 -3.675 -1.684 9.828 1.00 0.00 C ATOM 786 CD PRO A 54 -2.248 -2.152 9.804 1.00 0.00 C ATOM 0 HA PRO A 54 -2.528 0.640 8.337 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.575 0.023 11.116 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.498 0.285 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.235 -2.179 10.621 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.178 -1.916 8.890 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.903 -2.445 10.796 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.119 -3.017 9.153 1.00 0.00 H new ATOM 794 N GLU A 55 -0.832 1.009 11.069 1.00 0.00 N ATOM 795 CA GLU A 55 -0.011 1.963 11.815 1.00 0.00 C ATOM 796 C GLU A 55 0.664 2.945 10.866 1.00 0.00 C ATOM 797 O GLU A 55 0.552 4.163 11.026 1.00 0.00 O ATOM 798 CB GLU A 55 1.046 1.194 12.625 1.00 0.00 C ATOM 799 CG GLU A 55 1.998 2.061 13.437 1.00 0.00 C ATOM 800 CD GLU A 55 3.236 2.468 12.657 1.00 0.00 C ATOM 801 OE1 GLU A 55 3.926 1.576 12.113 1.00 0.00 O ATOM 802 OE2 GLU A 55 3.540 3.675 12.596 1.00 0.00 O ATOM 0 H GLU A 55 -0.704 0.040 11.361 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.648 2.531 12.493 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.535 0.511 13.303 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.632 0.583 11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.473 2.957 13.769 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.301 1.519 14.333 1.00 0.00 H new ATOM 809 N VAL A 56 1.333 2.404 9.859 1.00 0.00 N ATOM 810 CA VAL A 56 2.062 3.214 8.900 1.00 0.00 C ATOM 811 C VAL A 56 1.106 4.115 8.128 1.00 0.00 C ATOM 812 O VAL A 56 1.335 5.317 8.006 1.00 0.00 O ATOM 813 CB VAL A 56 2.850 2.339 7.908 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.760 3.196 7.046 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.647 1.275 8.645 1.00 0.00 C ATOM 0 H VAL A 56 1.385 1.400 9.686 1.00 0.00 H new ATOM 0 HA VAL A 56 2.769 3.826 9.461 1.00 0.00 H new ATOM 0 HB VAL A 56 2.138 1.835 7.254 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.308 2.560 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.161 3.913 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.465 3.731 7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.196 0.668 7.925 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.350 1.754 9.327 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.967 0.639 9.212 1.00 0.00 H new ATOM 825 N VAL A 57 0.023 3.525 7.638 1.00 0.00 N ATOM 826 CA VAL A 57 -0.967 4.246 6.846 1.00 0.00 C ATOM 827 C VAL A 57 -1.547 5.427 7.619 1.00 0.00 C ATOM 828 O VAL A 57 -1.521 6.564 7.145 1.00 0.00 O ATOM 829 CB VAL A 57 -2.116 3.312 6.417 1.00 0.00 C ATOM 830 CG1 VAL A 57 -3.139 4.062 5.579 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.576 2.108 5.662 1.00 0.00 C ATOM 0 H VAL A 57 -0.194 2.538 7.777 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.454 4.621 5.960 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.616 2.953 7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.940 3.382 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.554 4.884 6.162 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.657 4.458 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.403 1.462 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.045 2.445 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.892 1.553 6.304 1.00 0.00 H new ATOM 841 N VAL A 58 -2.050 5.154 8.818 1.00 0.00 N ATOM 842 CA VAL A 58 -2.686 6.180 9.632 1.00 0.00 C ATOM 843 C VAL A 58 -1.693 7.281 9.999 1.00 0.00 C ATOM 844 O VAL A 58 -2.020 8.467 9.943 1.00 0.00 O ATOM 845 CB VAL A 58 -3.300 5.579 10.917 1.00 0.00 C ATOM 846 CG1 VAL A 58 -3.956 6.658 11.766 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.306 4.489 10.571 1.00 0.00 C ATOM 0 H VAL A 58 -2.029 4.229 9.247 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.489 6.614 9.036 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.493 5.135 11.499 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.380 6.207 12.664 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.211 7.401 12.050 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.748 7.140 11.193 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.727 4.078 11.489 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.105 4.912 9.962 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.806 3.696 10.014 1.00 0.00 H new ATOM 857 N ALA A 59 -0.471 6.886 10.343 1.00 0.00 N ATOM 858 CA ALA A 59 0.564 7.844 10.700 1.00 0.00 C ATOM 859 C ALA A 59 0.981 8.681 9.494 1.00 0.00 C ATOM 860 O ALA A 59 1.305 9.857 9.635 1.00 0.00 O ATOM 861 CB ALA A 59 1.765 7.135 11.301 1.00 0.00 C ATOM 0 H ALA A 59 -0.176 5.910 10.381 1.00 0.00 H new ATOM 0 HA ALA A 59 0.151 8.519 11.449 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.528 7.869 11.561 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.458 6.597 12.198 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.172 6.430 10.576 1.00 0.00 H new ATOM 867 N ARG A 60 0.973 8.079 8.307 1.00 0.00 N ATOM 868 CA ARG A 60 1.286 8.818 7.089 1.00 0.00 C ATOM 869 C ARG A 60 0.188 9.826 6.787 1.00 0.00 C ATOM 870 O ARG A 60 0.465 10.982 6.476 1.00 0.00 O ATOM 871 CB ARG A 60 1.472 7.883 5.890 1.00 0.00 C ATOM 872 CG ARG A 60 2.724 7.012 5.942 1.00 0.00 C ATOM 873 CD ARG A 60 3.982 7.827 6.209 1.00 0.00 C ATOM 874 NE ARG A 60 4.275 7.919 7.639 1.00 0.00 N ATOM 875 CZ ARG A 60 5.496 8.118 8.142 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.519 8.382 7.339 1.00 0.00 N ATOM 877 NH2 ARG A 60 5.692 8.077 9.457 1.00 0.00 N ATOM 0 H ARG A 60 0.756 7.093 8.164 1.00 0.00 H new ATOM 0 HA ARG A 60 2.227 9.342 7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.599 7.235 5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.502 8.484 4.981 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.609 6.259 6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.833 6.478 4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.827 7.371 5.693 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.860 8.829 5.797 1.00 0.00 H new ATOM 0 HE ARG A 60 3.498 7.825 8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.376 8.434 6.330 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.449 8.533 7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.909 7.893 10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.626 8.229 9.838 1.00 0.00 H new ATOM 891 N GLY A 61 -1.060 9.383 6.895 1.00 0.00 N ATOM 892 CA GLY A 61 -2.184 10.273 6.679 1.00 0.00 C ATOM 893 C GLY A 61 -2.226 11.388 7.706 1.00 0.00 C ATOM 894 O GLY A 61 -2.651 12.500 7.409 1.00 0.00 O ATOM 0 H GLY A 61 -1.313 8.423 7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.121 10.702 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.112 9.703 6.723 1.00 0.00 H new ATOM 898 N GLU A 62 -1.781 11.083 8.916 1.00 0.00 N ATOM 899 CA GLU A 62 -1.696 12.072 9.981 1.00 0.00 C ATOM 900 C GLU A 62 -0.577 13.073 9.687 1.00 0.00 C ATOM 901 O GLU A 62 -0.758 14.286 9.805 1.00 0.00 O ATOM 902 CB GLU A 62 -1.427 11.368 11.316 1.00 0.00 C ATOM 903 CG GLU A 62 -1.417 12.298 12.516 1.00 0.00 C ATOM 904 CD GLU A 62 -2.803 12.769 12.904 1.00 0.00 C ATOM 905 OE1 GLU A 62 -3.481 12.056 13.672 1.00 0.00 O ATOM 906 OE2 GLU A 62 -3.217 13.857 12.454 1.00 0.00 O ATOM 0 H GLU A 62 -1.471 10.150 9.186 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.641 12.611 10.040 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.187 10.602 11.470 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.466 10.857 11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.962 11.786 13.363 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.793 13.164 12.294 1.00 0.00 H new ATOM 913 N GLN A 63 0.573 12.543 9.291 1.00 0.00 N ATOM 914 CA GLN A 63 1.762 13.350 9.049 1.00 0.00 C ATOM 915 C GLN A 63 1.602 14.223 7.808 1.00 0.00 C ATOM 916 O GLN A 63 1.845 15.429 7.846 1.00 0.00 O ATOM 917 CB GLN A 63 2.979 12.434 8.882 1.00 0.00 C ATOM 918 CG GLN A 63 4.299 13.170 8.719 1.00 0.00 C ATOM 919 CD GLN A 63 5.447 12.232 8.416 1.00 0.00 C ATOM 920 OE1 GLN A 63 6.099 11.716 9.319 1.00 0.00 O ATOM 921 NE2 GLN A 63 5.715 12.022 7.139 1.00 0.00 N ATOM 0 H GLN A 63 0.708 11.545 9.129 1.00 0.00 H new ATOM 0 HA GLN A 63 1.906 14.007 9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.047 11.778 9.750 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.822 11.796 8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.208 13.901 7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.518 13.725 9.631 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.149 12.470 6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.488 11.412 6.874 1.00 0.00 H new ATOM 930 N GLU A 64 1.197 13.602 6.714 1.00 0.00 N ATOM 931 CA GLU A 64 1.125 14.282 5.429 1.00 0.00 C ATOM 932 C GLU A 64 -0.197 15.020 5.259 1.00 0.00 C ATOM 933 O GLU A 64 -0.224 16.190 4.867 1.00 0.00 O ATOM 934 CB GLU A 64 1.298 13.272 4.295 1.00 0.00 C ATOM 935 CG GLU A 64 2.646 12.567 4.303 1.00 0.00 C ATOM 936 CD GLU A 64 3.804 13.541 4.251 1.00 0.00 C ATOM 937 OE1 GLU A 64 3.873 14.336 3.292 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.646 13.521 5.172 1.00 0.00 O ATOM 0 H GLU A 64 0.911 12.623 6.688 1.00 0.00 H new ATOM 0 HA GLU A 64 1.930 15.017 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.507 12.525 4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.172 13.785 3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.728 11.956 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.705 11.890 3.451 1.00 0.00 H new ATOM 945 N GLY A 65 -1.286 14.331 5.550 1.00 0.00 N ATOM 946 CA GLY A 65 -2.602 14.899 5.353 1.00 0.00 C ATOM 947 C GLY A 65 -3.495 13.961 4.572 1.00 0.00 C ATOM 948 O GLY A 65 -4.538 13.540 5.069 1.00 0.00 O ATOM 0 H GLY A 65 -1.283 13.381 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.056 15.115 6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.515 15.847 4.823 1.00 0.00 H new ATOM 952 N TRP A 66 -3.068 13.631 3.354 1.00 0.00 N ATOM 953 CA TRP A 66 -3.791 12.700 2.488 1.00 0.00 C ATOM 954 C TRP A 66 -5.262 13.089 2.334 1.00 0.00 C ATOM 955 O TRP A 66 -5.600 14.052 1.645 1.00 0.00 O ATOM 956 CB TRP A 66 -3.697 11.264 3.028 1.00 0.00 C ATOM 957 CG TRP A 66 -2.364 10.607 2.845 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.173 11.206 2.554 1.00 0.00 C ATOM 959 CD2 TRP A 66 -2.096 9.205 2.951 1.00 0.00 C ATOM 960 NE1 TRP A 66 -0.180 10.258 2.467 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.725 9.021 2.705 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.886 8.087 3.227 1.00 0.00 C ATOM 963 CZ2 TRP A 66 -0.126 7.766 2.731 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -2.292 6.842 3.253 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.922 6.689 3.004 1.00 0.00 C ATOM 0 H TRP A 66 -2.212 14.001 2.940 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.318 12.751 1.507 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.937 11.275 4.091 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.456 10.656 2.536 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.031 12.267 2.413 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.801 10.444 2.259 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.944 8.195 3.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.931 7.647 2.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.893 5.971 3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.486 5.701 3.028 1.00 0.00 H new ATOM 976 N ASN A 67 -6.119 12.346 3.019 1.00 0.00 N ATOM 977 CA ASN A 67 -7.561 12.495 2.925 1.00 0.00 C ATOM 978 C ASN A 67 -8.201 11.626 3.999 1.00 0.00 C ATOM 979 O ASN A 67 -7.821 10.467 4.152 1.00 0.00 O ATOM 980 CB ASN A 67 -8.045 12.063 1.533 1.00 0.00 C ATOM 981 CG ASN A 67 -9.558 12.089 1.394 1.00 0.00 C ATOM 982 OD1 ASN A 67 -10.243 11.167 1.829 1.00 0.00 O ATOM 983 ND2 ASN A 67 -10.085 13.127 0.762 1.00 0.00 N ATOM 0 H ASN A 67 -5.826 11.613 3.665 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.842 13.538 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.606 12.720 0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.684 11.056 1.326 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.094 13.180 0.622 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.482 13.873 0.415 1.00 0.00 H new ATOM 990 N PRO A 68 -9.147 12.172 4.778 1.00 0.00 N ATOM 991 CA PRO A 68 -9.806 11.432 5.864 1.00 0.00 C ATOM 992 C PRO A 68 -10.333 10.059 5.429 1.00 0.00 C ATOM 993 O PRO A 68 -9.952 9.035 6.002 1.00 0.00 O ATOM 994 CB PRO A 68 -10.956 12.353 6.269 1.00 0.00 C ATOM 995 CG PRO A 68 -10.480 13.718 5.918 1.00 0.00 C ATOM 996 CD PRO A 68 -9.642 13.557 4.679 1.00 0.00 C ATOM 0 HA PRO A 68 -9.113 11.206 6.674 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.872 12.102 5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.175 12.270 7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.319 14.390 5.737 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.896 14.149 6.731 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.230 13.710 3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.823 14.275 4.652 1.00 0.00 H new ATOM 1004 N GLU A 69 -11.190 10.034 4.410 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.782 8.786 3.945 1.00 0.00 C ATOM 1006 C GLU A 69 -10.725 7.884 3.312 1.00 0.00 C ATOM 1007 O GLU A 69 -10.752 6.667 3.486 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.905 9.050 2.932 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.981 10.001 3.430 1.00 0.00 C ATOM 1010 CD GLU A 69 -13.686 11.449 3.090 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -12.914 12.097 3.825 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -14.225 11.942 2.078 1.00 0.00 O ATOM 0 H GLU A 69 -11.488 10.862 3.894 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.204 8.282 4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.468 9.458 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -13.370 8.101 2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.940 9.718 2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.079 9.899 4.511 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.791 8.490 2.586 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.731 7.745 1.910 1.00 0.00 C ATOM 1021 C PHE A 70 -7.816 7.050 2.916 1.00 0.00 C ATOM 1022 O PHE A 70 -7.453 5.889 2.737 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.916 8.679 1.011 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.773 8.005 0.310 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -7.001 7.006 -0.620 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.466 8.379 0.580 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.950 6.391 -1.266 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -4.409 7.767 -0.064 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.651 6.771 -0.989 1.00 0.00 C ATOM 0 H PHE A 70 -9.746 9.500 2.449 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.200 6.978 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.578 9.118 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.527 9.499 1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.014 6.705 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.272 9.158 1.302 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.142 5.612 -1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.395 8.067 0.155 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.827 6.290 -1.495 1.00 0.00 H new ATOM 1039 N THR A 71 -7.461 7.758 3.980 1.00 0.00 N ATOM 1040 CA THR A 71 -6.597 7.202 5.010 1.00 0.00 C ATOM 1041 C THR A 71 -7.279 6.019 5.697 1.00 0.00 C ATOM 1042 O THR A 71 -6.651 4.992 5.966 1.00 0.00 O ATOM 1043 CB THR A 71 -6.221 8.271 6.058 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.703 9.437 5.403 1.00 0.00 O ATOM 1045 CG2 THR A 71 -5.181 7.742 7.034 1.00 0.00 C ATOM 0 H THR A 71 -7.759 8.718 4.151 1.00 0.00 H new ATOM 0 HA THR A 71 -5.683 6.857 4.527 1.00 0.00 H new ATOM 0 HB THR A 71 -7.123 8.527 6.614 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.443 9.952 5.018 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.936 8.517 7.760 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.580 6.871 7.554 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.281 7.458 6.488 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.577 6.161 5.957 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.351 5.093 6.582 1.00 0.00 C ATOM 1055 C LYS A 72 -9.532 3.931 5.607 1.00 0.00 C ATOM 1056 O LYS A 72 -9.514 2.766 6.005 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.714 5.623 7.042 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.520 4.615 7.847 1.00 0.00 C ATOM 1059 CD LYS A 72 -12.843 5.203 8.307 1.00 0.00 C ATOM 1060 CE LYS A 72 -13.617 4.224 9.178 1.00 0.00 C ATOM 1061 NZ LYS A 72 -14.912 4.792 9.635 1.00 0.00 N ATOM 0 H LYS A 72 -9.113 7.003 5.745 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.807 4.732 7.455 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.562 6.518 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.292 5.922 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.705 3.728 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.942 4.294 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.660 6.121 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.444 5.472 7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.800 3.307 8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.013 3.953 10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.408 4.094 10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.736 5.653 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.499 5.027 8.809 1.00 0.00 H new ATOM 1075 N LYS A 73 -9.721 4.264 4.334 1.00 0.00 N ATOM 1076 CA LYS A 73 -9.812 3.279 3.271 1.00 0.00 C ATOM 1077 C LYS A 73 -8.613 2.333 3.300 1.00 0.00 C ATOM 1078 O LYS A 73 -8.771 1.126 3.475 1.00 0.00 O ATOM 1079 CB LYS A 73 -9.865 3.984 1.917 1.00 0.00 C ATOM 1080 CG LYS A 73 -10.654 3.222 0.882 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.140 3.459 1.048 1.00 0.00 C ATOM 1082 CE LYS A 73 -12.608 4.619 0.186 1.00 0.00 C ATOM 1083 NZ LYS A 73 -14.089 4.705 0.125 1.00 0.00 N ATOM 0 H LYS A 73 -9.815 5.228 4.014 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.721 2.697 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.306 4.972 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.849 4.134 1.552 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.343 3.529 -0.116 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.440 2.157 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.688 2.556 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.364 3.666 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.207 5.551 0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.210 4.505 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.372 5.683 -0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.443 4.074 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.491 4.418 1.040 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.417 2.898 3.147 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.192 2.102 3.068 1.00 0.00 C ATOM 1099 C VAL A 74 -5.968 1.301 4.350 1.00 0.00 C ATOM 1100 O VAL A 74 -5.548 0.142 4.304 1.00 0.00 O ATOM 1101 CB VAL A 74 -4.955 2.983 2.787 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -3.719 2.126 2.537 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.207 3.908 1.607 1.00 0.00 C ATOM 0 H VAL A 74 -7.269 3.905 3.075 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.321 1.411 2.235 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.773 3.594 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.862 2.771 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.518 1.512 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.892 1.481 1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.322 4.519 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.424 3.314 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.056 4.555 1.827 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.263 1.916 5.493 1.00 0.00 N ATOM 1114 CA ALA A 75 -6.138 1.238 6.777 1.00 0.00 C ATOM 1115 C ALA A 75 -7.114 0.067 6.863 1.00 0.00 C ATOM 1116 O ALA A 75 -6.793 -0.987 7.414 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.375 2.213 7.922 1.00 0.00 C ATOM 0 H ALA A 75 -6.589 2.880 5.554 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.124 0.848 6.861 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.278 1.689 8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.640 3.016 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.377 2.633 7.841 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.299 0.262 6.295 1.00 0.00 N ATOM 1124 CA GLY A 76 -9.296 -0.785 6.265 1.00 0.00 C ATOM 1125 C GLY A 76 -8.865 -1.962 5.413 1.00 0.00 C ATOM 1126 O GLY A 76 -9.100 -3.115 5.777 1.00 0.00 O ATOM 0 H GLY A 76 -8.586 1.135 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.492 -1.127 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.232 -0.382 5.878 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.226 -1.676 4.279 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.701 -2.736 3.422 1.00 0.00 C ATOM 1132 C TRP A 77 -6.644 -3.519 4.178 1.00 0.00 C ATOM 1133 O TRP A 77 -6.666 -4.746 4.208 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.063 -2.182 2.144 1.00 0.00 C ATOM 1135 CG TRP A 77 -7.896 -1.203 1.386 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.258 -1.100 1.367 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -7.401 -0.189 0.513 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -9.635 -0.062 0.550 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -8.510 0.508 0.011 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -6.120 0.201 0.114 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -8.377 1.578 -0.869 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -5.991 1.260 -0.761 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -7.112 1.938 -1.245 1.00 0.00 C ATOM 0 H TRP A 77 -8.061 -0.730 3.936 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.541 -3.372 3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.119 -1.704 2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.825 -3.017 1.486 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.937 -1.739 1.913 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -10.594 0.236 0.373 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.247 -0.317 0.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.242 2.106 -1.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.006 1.570 -1.077 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -6.977 2.763 -1.929 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.722 -2.785 4.795 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.631 -3.386 5.551 1.00 0.00 C ATOM 1156 C ALA A 78 -5.166 -4.285 6.662 1.00 0.00 C ATOM 1157 O ALA A 78 -4.590 -5.331 6.952 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.731 -2.305 6.130 1.00 0.00 C ATOM 0 H ALA A 78 -5.711 -1.765 4.785 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.045 -4.003 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.921 -2.769 6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.314 -1.706 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.312 -1.664 6.793 1.00 0.00 H new ATOM 1164 N GLU A 79 -6.267 -3.859 7.276 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.951 -4.651 8.292 1.00 0.00 C ATOM 1166 C GLU A 79 -7.431 -5.974 7.692 1.00 0.00 C ATOM 1167 O GLU A 79 -7.127 -7.053 8.207 1.00 0.00 O ATOM 1168 CB GLU A 79 -8.145 -3.861 8.838 1.00 0.00 C ATOM 1169 CG GLU A 79 -8.877 -4.546 9.980 1.00 0.00 C ATOM 1170 CD GLU A 79 -8.082 -4.544 11.267 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -7.305 -5.490 11.494 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -8.243 -3.598 12.068 1.00 0.00 O ATOM 0 H GLU A 79 -6.708 -2.959 7.084 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.258 -4.866 9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.796 -2.886 9.178 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.849 -3.682 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.831 -4.046 10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.101 -5.575 9.698 1.00 0.00 H new ATOM 1179 N LYS A 80 -8.165 -5.873 6.590 1.00 0.00 N ATOM 1180 CA LYS A 80 -8.693 -7.039 5.882 1.00 0.00 C ATOM 1181 C LYS A 80 -7.576 -7.991 5.469 1.00 0.00 C ATOM 1182 O LYS A 80 -7.626 -9.188 5.757 1.00 0.00 O ATOM 1183 CB LYS A 80 -9.463 -6.586 4.640 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.828 -5.989 4.935 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.847 -7.073 5.226 1.00 0.00 C ATOM 1186 CE LYS A 80 -13.245 -6.503 5.391 1.00 0.00 C ATOM 1187 NZ LYS A 80 -14.254 -7.571 5.612 1.00 0.00 N ATOM 0 H LYS A 80 -8.412 -4.982 6.160 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.361 -7.570 6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.865 -5.849 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.589 -7.439 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.757 -5.314 5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.159 -5.393 4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.845 -7.801 4.415 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.562 -7.606 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.258 -5.811 6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.511 -5.930 4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.195 -7.142 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.259 -8.217 4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.015 -8.102 6.474 1.00 0.00 H new ATOM 1201 N VAL A 81 -6.566 -7.443 4.808 1.00 0.00 N ATOM 1202 CA VAL A 81 -5.459 -8.233 4.279 1.00 0.00 C ATOM 1203 C VAL A 81 -4.680 -8.920 5.401 1.00 0.00 C ATOM 1204 O VAL A 81 -4.272 -10.073 5.264 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.503 -7.355 3.437 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -3.308 -8.157 2.947 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.244 -6.742 2.258 1.00 0.00 C ATOM 0 H VAL A 81 -6.489 -6.443 4.623 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.889 -9.001 3.636 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.134 -6.554 4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.654 -7.513 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.757 -8.549 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.654 -8.985 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.557 -6.127 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.644 -7.536 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.063 -6.123 2.625 1.00 0.00 H new ATOM 1217 N ALA A 82 -4.494 -8.216 6.510 1.00 0.00 N ATOM 1218 CA ALA A 82 -3.790 -8.778 7.658 1.00 0.00 C ATOM 1219 C ALA A 82 -4.630 -9.857 8.336 1.00 0.00 C ATOM 1220 O ALA A 82 -4.099 -10.831 8.869 1.00 0.00 O ATOM 1221 CB ALA A 82 -3.431 -7.687 8.655 1.00 0.00 C ATOM 0 H ALA A 82 -4.819 -7.258 6.640 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.869 -9.235 7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.907 -8.127 9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.787 -6.951 8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.341 -7.200 9.004 1.00 0.00 H new ATOM 1227 N SER A 83 -5.944 -9.674 8.317 1.00 0.00 N ATOM 1228 CA SER A 83 -6.864 -10.652 8.884 1.00 0.00 C ATOM 1229 C SER A 83 -6.968 -11.875 7.974 1.00 0.00 C ATOM 1230 O SER A 83 -7.382 -12.955 8.400 1.00 0.00 O ATOM 1231 CB SER A 83 -8.245 -10.016 9.089 1.00 0.00 C ATOM 1232 OG SER A 83 -9.141 -10.918 9.714 1.00 0.00 O ATOM 0 H SER A 83 -6.398 -8.854 7.914 1.00 0.00 H new ATOM 0 HA SER A 83 -6.481 -10.976 9.852 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.147 -9.117 9.698 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.651 -9.706 8.126 1.00 0.00 H new ATOM 0 HG SER A 83 -10.012 -10.485 9.833 1.00 0.00 H new ATOM 1238 N GLY A 84 -6.580 -11.702 6.720 1.00 0.00 N ATOM 1239 CA GLY A 84 -6.616 -12.796 5.774 1.00 0.00 C ATOM 1240 C GLY A 84 -7.896 -12.811 4.969 1.00 0.00 C ATOM 1241 O GLY A 84 -8.264 -13.836 4.394 1.00 0.00 O ATOM 0 H GLY A 84 -6.239 -10.819 6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.764 -12.718 5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.514 -13.740 6.309 1.00 0.00 H new ATOM 1245 N ASN A 85 -8.583 -11.679 4.928 1.00 0.00 N ATOM 1246 CA ASN A 85 -9.823 -11.574 4.166 1.00 0.00 C ATOM 1247 C ASN A 85 -9.531 -10.968 2.807 1.00 0.00 C ATOM 1248 O ASN A 85 -8.464 -10.391 2.592 1.00 0.00 O ATOM 1249 CB ASN A 85 -10.879 -10.710 4.873 1.00 0.00 C ATOM 1250 CG ASN A 85 -11.374 -11.276 6.199 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -12.535 -11.085 6.572 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -10.508 -11.966 6.920 1.00 0.00 N ATOM 0 H ASN A 85 -8.307 -10.823 5.410 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.225 -12.582 4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.461 -9.719 5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.732 -10.582 4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -10.791 -12.361 7.817 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.556 -12.104 6.580 1.00 0.00 H new ATOM 1259 N ARG A 86 -10.479 -11.091 1.902 1.00 0.00 N ATOM 1260 CA ARG A 86 -10.333 -10.531 0.571 1.00 0.00 C ATOM 1261 C ARG A 86 -11.140 -9.248 0.435 1.00 0.00 C ATOM 1262 O ARG A 86 -12.196 -9.090 1.052 1.00 0.00 O ATOM 1263 CB ARG A 86 -10.783 -11.539 -0.479 1.00 0.00 C ATOM 1264 CG ARG A 86 -12.181 -12.066 -0.235 1.00 0.00 C ATOM 1265 CD ARG A 86 -12.658 -12.915 -1.402 1.00 0.00 C ATOM 1266 NE ARG A 86 -13.958 -13.530 -1.144 1.00 0.00 N ATOM 1267 CZ ARG A 86 -15.127 -12.914 -1.311 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -15.169 -11.633 -1.664 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -16.254 -13.586 -1.121 1.00 0.00 N ATOM 0 H ARG A 86 -11.362 -11.575 2.063 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.280 -10.299 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.744 -11.072 -1.463 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.084 -12.375 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.195 -12.659 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.866 -11.232 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.722 -12.296 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.924 -13.694 -1.606 1.00 0.00 H new ATOM 0 HE ARG A 86 -13.971 -14.495 -0.814 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.302 -11.115 -1.809 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -16.068 -11.168 -1.790 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.222 -14.568 -0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.153 -13.121 -1.247 1.00 0.00 H new ATOM 1283 N ILE A 87 -10.636 -8.338 -0.376 1.00 0.00 N ATOM 1284 CA ILE A 87 -11.333 -7.096 -0.665 1.00 0.00 C ATOM 1285 C ILE A 87 -11.623 -6.999 -2.155 1.00 0.00 C ATOM 1286 O ILE A 87 -10.831 -7.460 -2.980 1.00 0.00 O ATOM 1287 CB ILE A 87 -10.531 -5.864 -0.200 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -9.068 -5.969 -0.644 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -10.632 -5.708 1.310 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -8.185 -4.871 -0.092 1.00 0.00 C ATOM 0 H ILE A 87 -9.739 -8.436 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.271 -7.105 -0.110 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.958 -4.976 -0.666 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.671 -6.935 -0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.025 -5.945 -1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.061 -4.834 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.677 -5.580 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.231 -6.598 1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.165 -5.011 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.557 -3.902 -0.426 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.197 -4.908 0.997 1.00 0.00 H new ATOM 1302 N LEU A 88 -12.760 -6.412 -2.495 1.00 0.00 N ATOM 1303 CA LEU A 88 -13.214 -6.372 -3.877 1.00 0.00 C ATOM 1304 C LEU A 88 -12.391 -5.403 -4.723 1.00 0.00 C ATOM 1305 O LEU A 88 -12.164 -4.246 -4.350 1.00 0.00 O ATOM 1306 CB LEU A 88 -14.711 -6.020 -3.963 1.00 0.00 C ATOM 1307 CG LEU A 88 -15.098 -4.564 -3.654 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -16.533 -4.300 -4.085 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -14.937 -4.247 -2.173 1.00 0.00 C ATOM 0 H LEU A 88 -13.387 -5.956 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 88 -13.069 -7.373 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -15.059 -6.258 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -15.253 -6.669 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.425 -3.915 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -16.796 -3.266 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -16.629 -4.475 -5.157 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -17.204 -4.969 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.219 -3.210 -1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.578 -4.906 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -13.898 -4.398 -1.880 1.00 0.00 H new ATOM 1321 N ILE A 89 -11.923 -5.905 -5.853 1.00 0.00 N ATOM 1322 CA ILE A 89 -11.257 -5.088 -6.851 1.00 0.00 C ATOM 1323 C ILE A 89 -11.797 -5.464 -8.226 1.00 0.00 C ATOM 1324 O ILE A 89 -11.396 -4.898 -9.245 1.00 0.00 O ATOM 1325 CB ILE A 89 -9.716 -5.282 -6.809 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -9.008 -4.186 -7.614 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -9.329 -6.660 -7.335 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -7.499 -4.328 -7.641 1.00 0.00 C ATOM 0 H ILE A 89 -11.994 -6.891 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.458 -4.038 -6.640 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.396 -5.208 -5.770 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.384 -4.199 -8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.265 -3.214 -7.192 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.246 -6.773 -7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.796 -7.429 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.668 -6.764 -8.366 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.068 -3.518 -8.229 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -7.111 -4.284 -6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.232 -5.284 -8.091 1.00 0.00 H new ATOM 1340 N LYS A 90 -12.759 -6.403 -8.217 1.00 0.00 N ATOM 1341 CA LYS A 90 -13.318 -7.004 -9.433 1.00 0.00 C ATOM 1342 C LYS A 90 -12.249 -7.823 -10.145 1.00 0.00 C ATOM 1343 O LYS A 90 -12.277 -9.055 -10.159 1.00 0.00 O ATOM 1344 CB LYS A 90 -13.855 -5.938 -10.395 1.00 0.00 C ATOM 1345 CG LYS A 90 -14.632 -4.810 -9.729 1.00 0.00 C ATOM 1346 CD LYS A 90 -14.909 -3.688 -10.717 1.00 0.00 C ATOM 1347 CE LYS A 90 -13.650 -3.300 -11.485 1.00 0.00 C ATOM 1348 NZ LYS A 90 -13.928 -2.345 -12.590 1.00 0.00 N ATOM 0 H LYS A 90 -13.171 -6.766 -7.358 1.00 0.00 H new ATOM 0 HA LYS A 90 -14.146 -7.646 -9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.017 -5.508 -10.944 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.501 -6.422 -11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -15.573 -5.194 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.066 -4.423 -8.882 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.683 -4.001 -11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.294 -2.819 -10.184 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.931 -2.855 -10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.186 -4.198 -11.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.117 -2.321 -13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.777 -2.650 -13.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -14.085 -1.395 -12.197 1.00 0.00 H new ATOM 1362 N ASN A 91 -11.296 -7.107 -10.701 1.00 0.00 N ATOM 1363 CA ASN A 91 -10.201 -7.668 -11.457 1.00 0.00 C ATOM 1364 C ASN A 91 -9.100 -6.623 -11.533 1.00 0.00 C ATOM 1365 O ASN A 91 -9.383 -5.437 -11.700 1.00 0.00 O ATOM 1366 CB ASN A 91 -10.656 -8.110 -12.864 1.00 0.00 C ATOM 1367 CG ASN A 91 -11.658 -7.169 -13.531 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -12.502 -7.609 -14.309 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -11.573 -5.877 -13.251 1.00 0.00 N ATOM 0 H ASN A 91 -11.262 -6.090 -10.637 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.828 -8.564 -10.960 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.779 -8.199 -13.504 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.101 -9.103 -12.793 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -12.219 -5.218 -13.685 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.862 -5.542 -12.601 1.00 0.00 H new ATOM 1376 N PRO A 92 -7.848 -7.032 -11.343 1.00 0.00 N ATOM 1377 CA PRO A 92 -6.701 -6.123 -11.369 1.00 0.00 C ATOM 1378 C PRO A 92 -6.494 -5.472 -12.738 1.00 0.00 C ATOM 1379 O PRO A 92 -5.654 -5.902 -13.527 1.00 0.00 O ATOM 1380 CB PRO A 92 -5.509 -7.017 -11.010 1.00 0.00 C ATOM 1381 CG PRO A 92 -6.101 -8.253 -10.422 1.00 0.00 C ATOM 1382 CD PRO A 92 -7.452 -8.411 -11.056 1.00 0.00 C ATOM 0 HA PRO A 92 -6.840 -5.289 -10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.913 -7.249 -11.892 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.847 -6.522 -10.299 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.472 -9.120 -10.624 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.187 -8.167 -9.339 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.403 -9.013 -11.963 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.157 -8.901 -10.385 1.00 0.00 H new ATOM 1390 N GLU A 93 -7.301 -4.460 -13.017 1.00 0.00 N ATOM 1391 CA GLU A 93 -7.178 -3.683 -14.246 1.00 0.00 C ATOM 1392 C GLU A 93 -6.090 -2.629 -14.103 1.00 0.00 C ATOM 1393 O GLU A 93 -5.328 -2.370 -15.030 1.00 0.00 O ATOM 1394 CB GLU A 93 -8.499 -2.977 -14.570 1.00 0.00 C ATOM 1395 CG GLU A 93 -9.691 -3.902 -14.732 1.00 0.00 C ATOM 1396 CD GLU A 93 -10.993 -3.140 -14.914 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -11.576 -2.695 -13.902 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -11.441 -2.980 -16.066 1.00 0.00 O ATOM 0 H GLU A 93 -8.056 -4.154 -12.404 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.921 -4.372 -15.050 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.717 -2.262 -13.777 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.373 -2.405 -15.489 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.530 -4.551 -15.592 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.769 -4.546 -13.856 1.00 0.00 H new ATOM 1405 N TYR A 94 -6.021 -2.033 -12.921 1.00 0.00 N ATOM 1406 CA TYR A 94 -5.176 -0.869 -12.702 1.00 0.00 C ATOM 1407 C TYR A 94 -3.859 -1.232 -12.028 1.00 0.00 C ATOM 1408 O TYR A 94 -3.142 -0.356 -11.547 1.00 0.00 O ATOM 1409 CB TYR A 94 -5.929 0.168 -11.873 1.00 0.00 C ATOM 1410 CG TYR A 94 -7.166 0.694 -12.564 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -7.101 1.801 -13.401 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -8.398 0.077 -12.388 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -8.229 2.276 -14.042 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -9.528 0.544 -13.028 1.00 0.00 C ATOM 1415 CZ TYR A 94 -9.439 1.644 -13.851 1.00 0.00 C ATOM 1416 OH TYR A 94 -10.560 2.106 -14.499 1.00 0.00 O ATOM 0 H TYR A 94 -6.541 -2.337 -12.098 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.931 -0.450 -13.678 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.214 -0.275 -10.919 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.262 1.001 -11.651 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.154 2.298 -13.553 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.473 -0.783 -11.739 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.163 3.138 -14.689 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -10.477 0.049 -12.884 1.00 0.00 H new ATOM 0 HH TYR A 94 -11.330 1.550 -14.258 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.538 -2.514 -11.995 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.240 -2.935 -11.499 1.00 0.00 C ATOM 1428 C PHE A 95 -1.471 -3.629 -12.612 1.00 0.00 C ATOM 1429 O PHE A 95 -1.653 -4.817 -12.874 1.00 0.00 O ATOM 1430 CB PHE A 95 -2.359 -3.841 -10.272 1.00 0.00 C ATOM 1431 CG PHE A 95 -1.038 -4.037 -9.583 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -0.360 -2.947 -9.059 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -0.470 -5.294 -9.468 1.00 0.00 C ATOM 1434 CE1 PHE A 95 0.861 -3.106 -8.436 1.00 0.00 C ATOM 1435 CE2 PHE A 95 0.753 -5.462 -8.842 1.00 0.00 C ATOM 1436 CZ PHE A 95 1.420 -4.366 -8.324 1.00 0.00 C ATOM 0 H PHE A 95 -4.149 -3.272 -12.301 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.694 -2.047 -11.181 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.072 -3.408 -9.571 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.757 -4.810 -10.575 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.793 -1.961 -9.139 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.986 -6.153 -9.871 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.380 -2.247 -8.036 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.186 -6.448 -8.758 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.374 -4.494 -7.834 1.00 0.00 H new ATOM 1446 N SER A 96 -0.628 -2.862 -13.273 1.00 0.00 N ATOM 1447 CA SER A 96 0.091 -3.324 -14.444 1.00 0.00 C ATOM 1448 C SER A 96 1.504 -3.707 -14.126 1.00 0.00 C ATOM 1449 O SER A 96 2.039 -3.424 -13.047 1.00 0.00 O ATOM 1450 CB SER A 96 0.073 -2.231 -15.508 1.00 0.00 C ATOM 1451 OG SER A 96 0.613 -1.025 -14.993 1.00 0.00 O ATOM 0 H SER A 96 -0.421 -1.898 -13.013 1.00 0.00 H new ATOM 0 HA SER A 96 -0.409 -4.219 -14.814 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.648 -2.552 -16.377 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.949 -2.063 -15.847 1.00 0.00 H new ATOM 0 HG SER A 96 0.595 -0.335 -15.689 1.00 0.00 H new ATOM 1457 N THR A 97 2.074 -4.378 -15.094 1.00 0.00 N ATOM 1458 CA THR A 97 3.440 -4.804 -15.080 1.00 0.00 C ATOM 1459 C THR A 97 4.391 -3.693 -14.629 1.00 0.00 C ATOM 1460 O THR A 97 5.327 -3.940 -13.869 1.00 0.00 O ATOM 1461 CB THR A 97 3.805 -5.250 -16.491 1.00 0.00 C ATOM 1462 OG1 THR A 97 2.857 -6.220 -16.954 1.00 0.00 O ATOM 1463 CG2 THR A 97 5.176 -5.835 -16.499 1.00 0.00 C ATOM 0 H THR A 97 1.577 -4.650 -15.942 1.00 0.00 H new ATOM 0 HA THR A 97 3.545 -5.620 -14.365 1.00 0.00 H new ATOM 0 HB THR A 97 3.784 -4.386 -17.155 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.095 -6.502 -17.862 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.431 -6.152 -17.510 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.893 -5.086 -16.162 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.208 -6.695 -15.830 1.00 0.00 H new ATOM 1471 N TYR A 98 4.134 -2.474 -15.087 1.00 0.00 N ATOM 1472 CA TYR A 98 4.986 -1.339 -14.770 1.00 0.00 C ATOM 1473 C TYR A 98 5.047 -1.107 -13.263 1.00 0.00 C ATOM 1474 O TYR A 98 6.128 -0.938 -12.693 1.00 0.00 O ATOM 1475 CB TYR A 98 4.468 -0.088 -15.482 1.00 0.00 C ATOM 1476 CG TYR A 98 5.368 1.113 -15.333 1.00 0.00 C ATOM 1477 CD1 TYR A 98 6.553 1.200 -16.048 1.00 0.00 C ATOM 1478 CD2 TYR A 98 5.030 2.160 -14.486 1.00 0.00 C ATOM 1479 CE1 TYR A 98 7.381 2.301 -15.922 1.00 0.00 C ATOM 1480 CE2 TYR A 98 5.851 3.261 -14.353 1.00 0.00 C ATOM 1481 CZ TYR A 98 7.024 3.328 -15.072 1.00 0.00 C ATOM 1482 OH TYR A 98 7.845 4.424 -14.934 1.00 0.00 O ATOM 0 H TYR A 98 3.337 -2.247 -15.682 1.00 0.00 H new ATOM 0 HA TYR A 98 5.996 -1.555 -15.117 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.345 -0.309 -16.542 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.481 0.159 -15.091 1.00 0.00 H new ATOM 0 HD1 TYR A 98 6.834 0.397 -16.713 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.110 2.112 -13.922 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.301 2.357 -16.485 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.575 4.066 -13.688 1.00 0.00 H new ATOM 0 HH TYR A 98 7.445 5.054 -14.299 1.00 0.00 H new ATOM 1492 N MET A 99 3.882 -1.111 -12.623 1.00 0.00 N ATOM 1493 CA MET A 99 3.798 -0.939 -11.177 1.00 0.00 C ATOM 1494 C MET A 99 4.472 -2.103 -10.470 1.00 0.00 C ATOM 1495 O MET A 99 5.244 -1.919 -9.526 1.00 0.00 O ATOM 1496 CB MET A 99 2.338 -0.871 -10.726 1.00 0.00 C ATOM 1497 CG MET A 99 1.559 0.310 -11.273 1.00 0.00 C ATOM 1498 SD MET A 99 2.192 1.892 -10.698 1.00 0.00 S ATOM 1499 CE MET A 99 0.769 2.930 -11.008 1.00 0.00 C ATOM 0 H MET A 99 2.981 -1.232 -13.085 1.00 0.00 H new ATOM 0 HA MET A 99 4.301 -0.007 -10.920 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.836 -1.791 -11.027 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.310 -0.834 -9.637 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.590 0.286 -12.362 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.513 0.215 -10.982 1.00 0.00 H new ATOM 0 HE1 MET A 99 0.603 3.585 -10.153 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.946 3.533 -11.898 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.111 2.305 -11.162 1.00 0.00 H new ATOM 1509 N GLN A 100 4.170 -3.303 -10.951 1.00 0.00 N ATOM 1510 CA GLN A 100 4.687 -4.530 -10.365 1.00 0.00 C ATOM 1511 C GLN A 100 6.208 -4.566 -10.411 1.00 0.00 C ATOM 1512 O GLN A 100 6.855 -4.663 -9.375 1.00 0.00 O ATOM 1513 CB GLN A 100 4.117 -5.740 -11.106 1.00 0.00 C ATOM 1514 CG GLN A 100 4.628 -7.071 -10.588 1.00 0.00 C ATOM 1515 CD GLN A 100 4.162 -8.237 -11.432 1.00 0.00 C ATOM 1516 OE1 GLN A 100 3.104 -8.816 -11.182 1.00 0.00 O ATOM 1517 NE2 GLN A 100 4.946 -8.588 -12.440 1.00 0.00 N ATOM 0 H GLN A 100 3.561 -3.451 -11.756 1.00 0.00 H new ATOM 0 HA GLN A 100 4.378 -4.562 -9.320 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.030 -5.723 -11.028 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.362 -5.654 -12.165 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.718 -7.055 -10.566 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.290 -7.212 -9.561 1.00 0.00 H new ATOM 0 HE21 GLN A 100 5.814 -8.081 -12.611 1.00 0.00 H new ATOM 0 HE22 GLN A 100 4.682 -9.365 -13.045 1.00 0.00 H new ATOM 1526 N GLU A 101 6.768 -4.468 -11.612 1.00 0.00 N ATOM 1527 CA GLU A 101 8.210 -4.578 -11.807 1.00 0.00 C ATOM 1528 C GLU A 101 8.970 -3.502 -11.035 1.00 0.00 C ATOM 1529 O GLU A 101 10.094 -3.733 -10.584 1.00 0.00 O ATOM 1530 CB GLU A 101 8.558 -4.505 -13.292 1.00 0.00 C ATOM 1531 CG GLU A 101 8.989 -5.838 -13.890 1.00 0.00 C ATOM 1532 CD GLU A 101 7.890 -6.889 -13.911 1.00 0.00 C ATOM 1533 OE1 GLU A 101 7.464 -7.347 -12.829 1.00 0.00 O ATOM 1534 OE2 GLU A 101 7.460 -7.270 -15.019 1.00 0.00 O ATOM 0 H GLU A 101 6.241 -4.311 -12.471 1.00 0.00 H new ATOM 0 HA GLU A 101 8.518 -5.548 -11.416 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.692 -4.135 -13.841 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.359 -3.779 -13.432 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.338 -5.672 -14.909 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.836 -6.223 -13.322 1.00 0.00 H new ATOM 1541 N GLN A 102 8.359 -2.332 -10.879 1.00 0.00 N ATOM 1542 CA GLN A 102 8.961 -1.254 -10.101 1.00 0.00 C ATOM 1543 C GLN A 102 9.191 -1.715 -8.664 1.00 0.00 C ATOM 1544 O GLN A 102 10.320 -1.720 -8.159 1.00 0.00 O ATOM 1545 CB GLN A 102 8.049 -0.025 -10.103 1.00 0.00 C ATOM 1546 CG GLN A 102 8.690 1.206 -9.483 1.00 0.00 C ATOM 1547 CD GLN A 102 9.811 1.774 -10.335 1.00 0.00 C ATOM 1548 OE1 GLN A 102 9.771 1.702 -11.562 1.00 0.00 O ATOM 1549 NE2 GLN A 102 10.817 2.342 -9.693 1.00 0.00 N ATOM 0 H GLN A 102 7.449 -2.106 -11.280 1.00 0.00 H new ATOM 0 HA GLN A 102 9.916 -0.989 -10.554 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.761 0.203 -11.129 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.134 -0.261 -9.560 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.928 1.971 -9.334 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.081 0.950 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.814 2.382 -8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 102 11.596 2.740 -10.217 1.00 0.00 H new ATOM 1558 N LEU A 103 8.104 -2.115 -8.024 1.00 0.00 N ATOM 1559 CA LEU A 103 8.141 -2.599 -6.650 1.00 0.00 C ATOM 1560 C LEU A 103 8.944 -3.891 -6.562 1.00 0.00 C ATOM 1561 O LEU A 103 9.680 -4.122 -5.604 1.00 0.00 O ATOM 1562 CB LEU A 103 6.714 -2.839 -6.148 1.00 0.00 C ATOM 1563 CG LEU A 103 5.807 -1.610 -6.153 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.385 -2.006 -5.796 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.329 -0.557 -5.186 1.00 0.00 C ATOM 0 H LEU A 103 7.172 -2.114 -8.440 1.00 0.00 H new ATOM 0 HA LEU A 103 8.623 -1.846 -6.026 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.255 -3.612 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.764 -3.229 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 103 5.807 -1.182 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.748 -1.121 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.014 -2.726 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.371 -2.455 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.670 0.311 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.358 -0.971 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.334 -0.256 -5.483 1.00 0.00 H new ATOM 1577 N LYS A 104 8.795 -4.719 -7.587 1.00 0.00 N ATOM 1578 CA LYS A 104 9.467 -6.006 -7.675 1.00 0.00 C ATOM 1579 C LYS A 104 10.971 -5.863 -7.519 1.00 0.00 C ATOM 1580 O LYS A 104 11.559 -6.417 -6.594 1.00 0.00 O ATOM 1581 CB LYS A 104 9.133 -6.654 -9.018 1.00 0.00 C ATOM 1582 CG LYS A 104 9.777 -8.009 -9.246 1.00 0.00 C ATOM 1583 CD LYS A 104 9.307 -8.604 -10.557 1.00 0.00 C ATOM 1584 CE LYS A 104 9.909 -9.973 -10.800 1.00 0.00 C ATOM 1585 NZ LYS A 104 9.267 -10.662 -11.948 1.00 0.00 N ATOM 0 H LYS A 104 8.198 -4.513 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 104 9.114 -6.638 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.051 -6.764 -9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.442 -5.981 -9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.862 -7.906 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.527 -8.680 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.220 -8.680 -10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.576 -7.938 -11.376 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.978 -9.872 -10.988 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.800 -10.583 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.706 -11.595 -12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.252 -10.781 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.393 -10.093 -12.809 1.00 0.00 H new ATOM 1599 N GLU A 105 11.590 -5.104 -8.415 1.00 0.00 N ATOM 1600 CA GLU A 105 13.038 -4.953 -8.406 1.00 0.00 C ATOM 1601 C GLU A 105 13.512 -4.187 -7.174 1.00 0.00 C ATOM 1602 O GLU A 105 14.641 -4.377 -6.719 1.00 0.00 O ATOM 1603 CB GLU A 105 13.514 -4.268 -9.683 1.00 0.00 C ATOM 1604 CG GLU A 105 13.292 -5.109 -10.932 1.00 0.00 C ATOM 1605 CD GLU A 105 13.862 -4.472 -12.180 1.00 0.00 C ATOM 1606 OE1 GLU A 105 15.098 -4.494 -12.352 1.00 0.00 O ATOM 1607 OE2 GLU A 105 13.078 -3.948 -12.999 1.00 0.00 O ATOM 0 H GLU A 105 11.114 -4.586 -9.153 1.00 0.00 H new ATOM 0 HA GLU A 105 13.476 -5.950 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.991 -3.318 -9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.576 -4.039 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.748 -6.089 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.223 -5.272 -11.069 1.00 0.00 H new ATOM 1614 N LEU A 106 12.651 -3.333 -6.634 1.00 0.00 N ATOM 1615 CA LEU A 106 12.967 -2.606 -5.411 1.00 0.00 C ATOM 1616 C LEU A 106 13.137 -3.574 -4.238 1.00 0.00 C ATOM 1617 O LEU A 106 14.111 -3.493 -3.487 1.00 0.00 O ATOM 1618 CB LEU A 106 11.869 -1.583 -5.101 1.00 0.00 C ATOM 1619 CG LEU A 106 12.103 -0.727 -3.855 1.00 0.00 C ATOM 1620 CD1 LEU A 106 13.357 0.123 -4.011 1.00 0.00 C ATOM 1621 CD2 LEU A 106 10.893 0.155 -3.585 1.00 0.00 C ATOM 0 H LEU A 106 11.731 -3.127 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 106 13.908 -2.075 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.759 -0.921 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.924 -2.114 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 106 12.247 -1.393 -3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.504 0.723 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.220 -0.526 -4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.246 0.781 -4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.074 0.758 -2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.722 0.810 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.015 -0.471 -3.426 1.00 0.00 H new ATOM 1633 N VAL A 107 12.193 -4.498 -4.099 1.00 0.00 N ATOM 1634 CA VAL A 107 12.236 -5.495 -3.030 1.00 0.00 C ATOM 1635 C VAL A 107 13.234 -6.604 -3.370 1.00 0.00 C ATOM 1636 O VAL A 107 13.783 -7.264 -2.486 1.00 0.00 O ATOM 1637 CB VAL A 107 10.833 -6.106 -2.786 1.00 0.00 C ATOM 1638 CG1 VAL A 107 10.859 -7.115 -1.647 1.00 0.00 C ATOM 1639 CG2 VAL A 107 9.817 -5.008 -2.497 1.00 0.00 C ATOM 0 H VAL A 107 11.384 -4.579 -4.715 1.00 0.00 H new ATOM 0 HA VAL A 107 12.560 -4.994 -2.118 1.00 0.00 H new ATOM 0 HB VAL A 107 10.536 -6.631 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.860 -7.525 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 107 11.550 -7.922 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.186 -6.622 -0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.837 -5.454 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.122 -4.455 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.764 -4.328 -3.347 1.00 0.00 H new ATOM 1649 N LEU A 108 13.484 -6.782 -4.659 1.00 0.00 N ATOM 1650 CA LEU A 108 14.408 -7.804 -5.138 1.00 0.00 C ATOM 1651 C LEU A 108 15.848 -7.479 -4.742 1.00 0.00 C ATOM 1652 O LEU A 108 16.725 -8.344 -4.771 1.00 0.00 O ATOM 1653 CB LEU A 108 14.304 -7.922 -6.661 1.00 0.00 C ATOM 1654 CG LEU A 108 15.082 -9.079 -7.291 1.00 0.00 C ATOM 1655 CD1 LEU A 108 14.548 -10.418 -6.804 1.00 0.00 C ATOM 1656 CD2 LEU A 108 15.013 -8.996 -8.807 1.00 0.00 C ATOM 0 H LEU A 108 13.056 -6.227 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 108 14.135 -8.753 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.252 -8.027 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.653 -6.989 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 108 16.125 -8.999 -6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 108 15.116 -11.226 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.648 -10.477 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 108 13.497 -10.512 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.571 -9.825 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.973 -9.050 -9.127 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.446 -8.053 -9.140 1.00 0.00 H new ATOM 1668 N GLU A 109 16.092 -6.231 -4.374 1.00 0.00 N ATOM 1669 CA GLU A 109 17.429 -5.814 -4.001 1.00 0.00 C ATOM 1670 C GLU A 109 17.680 -6.115 -2.522 1.00 0.00 C ATOM 1671 O GLU A 109 18.280 -7.136 -2.186 1.00 0.00 O ATOM 1672 CB GLU A 109 17.620 -4.326 -4.296 1.00 0.00 C ATOM 1673 CG GLU A 109 19.045 -3.959 -4.684 1.00 0.00 C ATOM 1674 CD GLU A 109 20.059 -4.322 -3.620 1.00 0.00 C ATOM 1675 OE1 GLU A 109 20.138 -3.604 -2.606 1.00 0.00 O ATOM 1676 OE2 GLU A 109 20.773 -5.335 -3.790 1.00 0.00 O ATOM 0 H GLU A 109 15.386 -5.496 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 109 18.154 -6.373 -4.592 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.947 -4.035 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.332 -3.750 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 109 19.305 -4.465 -5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 109 19.098 -2.888 -4.879 1.00 0.00 H new ATOM 1683 N HIS A 110 17.205 -5.234 -1.646 1.00 0.00 N ATOM 1684 CA HIS A 110 17.368 -5.403 -0.204 1.00 0.00 C ATOM 1685 C HIS A 110 16.560 -4.336 0.520 1.00 0.00 C ATOM 1686 O HIS A 110 16.304 -3.268 -0.037 1.00 0.00 O ATOM 1687 CB HIS A 110 18.843 -5.287 0.192 1.00 0.00 C ATOM 1688 CG HIS A 110 19.253 -6.199 1.314 1.00 0.00 C ATOM 1689 ND1 HIS A 110 19.658 -5.751 2.556 1.00 0.00 N ATOM 1690 CD2 HIS A 110 19.364 -7.548 1.353 1.00 0.00 C ATOM 1691 CE1 HIS A 110 19.999 -6.785 3.303 1.00 0.00 C ATOM 1692 NE2 HIS A 110 19.830 -7.885 2.598 1.00 0.00 N ATOM 0 H HIS A 110 16.700 -4.389 -1.912 1.00 0.00 H new ATOM 0 HA HIS A 110 17.012 -6.394 0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 110 19.460 -5.503 -0.680 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.050 -4.257 0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 110 19.129 -8.232 0.551 1.00 0.00 H new ATOM 0 HE1 HIS A 110 20.356 -6.737 4.321 1.00 0.00 H new ATOM 0 HE2 HIS A 110 20.016 -8.833 2.925 1.00 0.00 H new TER 1701 HIS A 110