USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 846 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 65 THR OG1 : rot -57:sc= 0.248 USER MOD Set 1.2: A 79 CYS SG : rot 18:sc= -0.639 USER MOD Set 2.1: A 23 CYS SG : rot 171:sc= 0.371 USER MOD Set 2.2: A 26 CYS SG : rot 78:sc= -1.65 USER MOD Set 3.1: A 7 ASN :FLIP amide:sc= 0.607 F(o=-0.2!,f=1.3) USER MOD Set 3.2: A 60 TYR OH : rot 134:sc= 0.724 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.247 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0.0894 X(o=0.089,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 150:sc= 0.631 (180deg=0.216) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= 0.78 (180deg=0.592) USER MOD Single : A 22 THR OG1 : rot -43:sc= 0.17 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.316 K(o=-0.32,f=-1.5!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 1.05 K(o=1.1,f=-0.51) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -47:sc= 0.0063 USER MOD Single : A 51 THR OG1 : rot 40:sc= 0.0196 USER MOD Single : A 52 ASN : amide:sc= -0.0223 X(o=-0.022,f=0) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.57 F(o=-1.2,f=-0.57) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00372 USER MOD Single : A 55 ASN : amide:sc= -0.0611 K(o=-0.061,f=-1) USER MOD Single : A 58 GLN : amide:sc= 1.17 K(o=1.2,f=-0.012) USER MOD Single : A 62 GLN : amide:sc= -1.22! C(o=-1.2!,f=-3.4!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 117:sc= 0.18 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0913 K(o=-0.091,f=-1.5!) USER MOD Single : A 91 GLN : amide:sc= 0.478 X(o=0.48,f=0) USER MOD Single : A 92 SER OG : rot -28:sc= 0.21 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= 0.345 (180deg=-0.362!) USER MOD Single : A 101 GLN : amide:sc=-0.00551 K(o=-0.0055,f=-3.1!) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -2.403 15.755 -7.721 1.00 0.00 N ATOM 2 CA ALA A 2 -1.848 14.443 -7.340 1.00 0.00 C ATOM 3 C ALA A 2 -1.749 13.522 -8.555 1.00 0.00 C ATOM 4 O ALA A 2 -0.701 12.913 -8.768 1.00 0.00 O ATOM 5 CB ALA A 2 -2.642 13.782 -6.214 1.00 0.00 C ATOM 0 HA ALA A 2 -0.843 14.619 -6.957 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.194 12.819 -5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.627 14.423 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.673 13.632 -6.535 1.00 0.00 H new ATOM 13 N GLN A 3 -2.817 13.434 -9.356 1.00 0.00 N ATOM 14 CA GLN A 3 -2.914 12.787 -10.659 1.00 0.00 C ATOM 15 C GLN A 3 -2.967 11.257 -10.579 1.00 0.00 C ATOM 16 O GLN A 3 -2.947 10.634 -9.514 1.00 0.00 O ATOM 17 CB GLN A 3 -1.757 13.172 -11.603 1.00 0.00 C ATOM 18 CG GLN A 3 -1.360 14.647 -11.718 1.00 0.00 C ATOM 19 CD GLN A 3 -0.363 14.852 -12.862 1.00 0.00 C ATOM 20 OE1 GLN A 3 0.282 13.922 -13.344 1.00 0.00 O ATOM 21 NE2 GLN A 3 -0.214 16.070 -13.338 1.00 0.00 N ATOM 0 H GLN A 3 -3.707 13.850 -9.082 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.858 13.155 -11.062 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.874 12.616 -11.287 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.015 12.820 -12.602 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.248 15.255 -11.890 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.919 14.984 -10.780 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.748 16.842 -12.939 1.00 0.00 H new ATOM 0 HE22 GLN A 3 0.436 16.242 -14.105 1.00 0.00 H new ATOM 30 N GLU A 4 -2.914 10.646 -11.764 1.00 0.00 N ATOM 31 CA GLU A 4 -2.615 9.254 -12.033 1.00 0.00 C ATOM 32 C GLU A 4 -1.360 8.720 -11.324 1.00 0.00 C ATOM 33 O GLU A 4 -1.194 7.502 -11.321 1.00 0.00 O ATOM 34 CB GLU A 4 -2.506 9.023 -13.551 1.00 0.00 C ATOM 35 CG GLU A 4 -3.804 8.519 -14.195 1.00 0.00 C ATOM 36 CD GLU A 4 -4.771 9.630 -14.591 1.00 0.00 C ATOM 37 OE1 GLU A 4 -5.546 10.096 -13.724 1.00 0.00 O ATOM 38 OE2 GLU A 4 -4.756 10.055 -15.769 1.00 0.00 O ATOM 0 H GLU A 4 -3.095 11.162 -12.625 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.448 8.687 -11.618 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.212 9.956 -14.031 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.712 8.302 -13.743 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.555 7.935 -15.081 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.305 7.846 -13.500 1.00 0.00 H new ATOM 45 N PHE A 5 -0.525 9.563 -10.695 1.00 0.00 N ATOM 46 CA PHE A 5 0.652 9.154 -9.932 1.00 0.00 C ATOM 47 C PHE A 5 0.317 7.972 -9.024 1.00 0.00 C ATOM 48 O PHE A 5 0.936 6.917 -9.134 1.00 0.00 O ATOM 49 CB PHE A 5 1.220 10.323 -9.110 1.00 0.00 C ATOM 50 CG PHE A 5 2.498 9.962 -8.370 1.00 0.00 C ATOM 51 CD1 PHE A 5 2.450 9.310 -7.120 1.00 0.00 C ATOM 52 CD2 PHE A 5 3.746 10.243 -8.954 1.00 0.00 C ATOM 53 CE1 PHE A 5 3.635 8.913 -6.477 1.00 0.00 C ATOM 54 CE2 PHE A 5 4.930 9.854 -8.306 1.00 0.00 C ATOM 55 CZ PHE A 5 4.878 9.174 -7.075 1.00 0.00 C ATOM 0 H PHE A 5 -0.659 10.574 -10.707 1.00 0.00 H new ATOM 0 HA PHE A 5 1.419 8.842 -10.641 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.416 11.165 -9.774 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.470 10.652 -8.390 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.496 9.114 -6.654 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.794 10.758 -9.902 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.589 8.408 -5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.886 10.078 -8.755 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.790 8.854 -6.593 1.00 0.00 H new ATOM 65 N VAL A 6 -0.679 8.137 -8.149 1.00 0.00 N ATOM 66 CA VAL A 6 -1.203 7.052 -7.332 1.00 0.00 C ATOM 67 C VAL A 6 -1.853 6.016 -8.254 1.00 0.00 C ATOM 68 O VAL A 6 -1.467 4.846 -8.266 1.00 0.00 O ATOM 69 CB VAL A 6 -2.150 7.649 -6.262 1.00 0.00 C ATOM 70 CG1 VAL A 6 -3.197 6.679 -5.700 1.00 0.00 C ATOM 71 CG2 VAL A 6 -1.332 8.198 -5.080 1.00 0.00 C ATOM 0 H VAL A 6 -1.142 9.032 -7.991 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.420 6.526 -6.785 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.696 8.432 -6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.809 7.194 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.832 6.320 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.695 5.833 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.007 8.616 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.751 7.391 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.657 8.977 -5.435 1.00 0.00 H new ATOM 81 N ASN A 7 -2.853 6.452 -9.022 1.00 0.00 N ATOM 82 CA ASN A 7 -3.838 5.583 -9.657 1.00 0.00 C ATOM 83 C ASN A 7 -3.222 4.501 -10.528 1.00 0.00 C ATOM 84 O ASN A 7 -3.757 3.395 -10.562 1.00 0.00 O ATOM 85 CB ASN A 7 -4.805 6.398 -10.511 1.00 0.00 C ATOM 86 CG ASN A 7 -5.575 7.395 -9.666 1.00 0.00 C ATOM 87 OD1 ASN A 7 -5.095 8.627 -9.557 1.00 0.00 O flip ATOM 88 ND2 ASN A 7 -6.582 7.022 -9.070 1.00 0.00 N flip ATOM 0 H ASN A 7 -3.001 7.441 -9.222 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.363 5.092 -8.837 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.252 6.926 -11.288 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.502 5.729 -11.015 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -6.916 6.065 -9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.084 7.669 -8.462 1.00 0.00 H new ATOM 95 N CYS A 8 -2.139 4.816 -11.238 1.00 0.00 N ATOM 96 CA CYS A 8 -1.516 3.928 -12.208 1.00 0.00 C ATOM 97 C CYS A 8 -0.262 3.249 -11.668 1.00 0.00 C ATOM 98 O CYS A 8 0.217 2.312 -12.305 1.00 0.00 O ATOM 99 CB CYS A 8 -1.214 4.705 -13.489 1.00 0.00 C ATOM 100 SG CYS A 8 -2.775 5.298 -14.190 1.00 0.00 S ATOM 0 H CYS A 8 -1.664 5.714 -11.150 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.221 3.126 -12.426 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.553 5.545 -13.275 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.697 4.067 -14.205 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.536 5.964 -15.281 1.00 0.00 H new ATOM 106 N LYS A 9 0.253 3.632 -10.489 1.00 0.00 N ATOM 107 CA LYS A 9 1.139 2.716 -9.775 1.00 0.00 C ATOM 108 C LYS A 9 0.329 1.486 -9.403 1.00 0.00 C ATOM 109 O LYS A 9 0.808 0.373 -9.598 1.00 0.00 O ATOM 110 CB LYS A 9 1.752 3.330 -8.509 1.00 0.00 C ATOM 111 CG LYS A 9 2.930 4.275 -8.757 1.00 0.00 C ATOM 112 CD LYS A 9 4.122 3.599 -9.447 1.00 0.00 C ATOM 113 CE LYS A 9 4.170 4.103 -10.887 1.00 0.00 C ATOM 114 NZ LYS A 9 5.070 3.313 -11.741 1.00 0.00 N ATOM 0 H LYS A 9 0.080 4.527 -10.032 1.00 0.00 H new ATOM 0 HA LYS A 9 1.974 2.471 -10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.974 3.875 -7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.084 2.523 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.592 5.111 -9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.259 4.690 -7.804 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.050 3.837 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.013 2.515 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.165 4.080 -11.308 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.494 5.144 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.062 3.701 -12.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.036 3.355 -11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.749 2.324 -11.763 1.00 0.00 H new ATOM 128 N ILE A 10 -0.892 1.673 -8.883 1.00 0.00 N ATOM 129 CA ILE A 10 -1.747 0.549 -8.549 1.00 0.00 C ATOM 130 C ILE A 10 -2.070 -0.186 -9.849 1.00 0.00 C ATOM 131 O ILE A 10 -2.080 0.389 -10.942 1.00 0.00 O ATOM 132 CB ILE A 10 -3.018 1.031 -7.822 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.721 1.947 -6.615 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.851 -0.143 -7.285 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.761 3.062 -6.547 1.00 0.00 C ATOM 0 H ILE A 10 -1.298 2.588 -8.689 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.244 -0.133 -7.863 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.565 1.588 -8.582 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.736 1.366 -5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.722 2.373 -6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.737 0.241 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.154 -0.783 -8.114 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.253 -0.721 -6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.548 3.706 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.725 3.650 -7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.754 2.627 -6.434 1.00 0.00 H new ATOM 147 N GLN A 11 -2.398 -1.464 -9.732 1.00 0.00 N ATOM 148 CA GLN A 11 -2.934 -2.247 -10.820 1.00 0.00 C ATOM 149 C GLN A 11 -3.918 -3.243 -10.219 1.00 0.00 C ATOM 150 O GLN A 11 -3.731 -3.648 -9.064 1.00 0.00 O ATOM 151 CB GLN A 11 -1.782 -3.034 -11.478 1.00 0.00 C ATOM 152 CG GLN A 11 -1.808 -3.039 -13.006 1.00 0.00 C ATOM 153 CD GLN A 11 -0.681 -2.249 -13.664 1.00 0.00 C ATOM 154 OE1 GLN A 11 -0.123 -2.696 -14.662 1.00 0.00 O ATOM 155 NE2 GLN A 11 -0.328 -1.080 -13.153 1.00 0.00 N ATOM 0 H GLN A 11 -2.295 -1.988 -8.863 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.418 -1.610 -11.560 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.834 -2.612 -11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.814 -4.064 -11.124 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.761 -4.071 -13.353 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.762 -2.633 -13.341 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.801 -0.722 -12.323 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.417 -0.537 -13.589 1.00 0.00 H new ATOM 164 N PRO A 12 -4.929 -3.682 -10.979 1.00 0.00 N ATOM 165 CA PRO A 12 -5.588 -4.928 -10.663 1.00 0.00 C ATOM 166 C PRO A 12 -4.508 -6.002 -10.857 1.00 0.00 C ATOM 167 O PRO A 12 -3.835 -6.040 -11.893 1.00 0.00 O ATOM 168 CB PRO A 12 -6.763 -5.044 -11.635 1.00 0.00 C ATOM 169 CG PRO A 12 -6.352 -4.171 -12.817 1.00 0.00 C ATOM 170 CD PRO A 12 -5.489 -3.087 -12.181 1.00 0.00 C ATOM 0 HA PRO A 12 -5.991 -5.018 -9.654 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.928 -6.077 -11.940 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.691 -4.693 -11.183 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.796 -4.741 -13.561 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.220 -3.747 -13.323 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.701 -2.765 -12.862 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.083 -2.205 -11.941 1.00 0.00 H new ATOM 178 N GLY A 13 -4.271 -6.810 -9.830 1.00 0.00 N ATOM 179 CA GLY A 13 -3.231 -7.822 -9.824 1.00 0.00 C ATOM 180 C GLY A 13 -1.839 -7.259 -9.517 1.00 0.00 C ATOM 181 O GLY A 13 -0.856 -7.736 -10.083 1.00 0.00 O ATOM 0 H GLY A 13 -4.809 -6.776 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.479 -8.583 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.209 -8.316 -10.795 1.00 0.00 H new ATOM 185 N LYS A 14 -1.725 -6.254 -8.647 1.00 0.00 N ATOM 186 CA LYS A 14 -0.490 -5.757 -8.023 1.00 0.00 C ATOM 187 C LYS A 14 -0.776 -5.367 -6.580 1.00 0.00 C ATOM 188 O LYS A 14 -1.934 -5.143 -6.224 1.00 0.00 O ATOM 189 CB LYS A 14 0.077 -4.567 -8.828 1.00 0.00 C ATOM 190 CG LYS A 14 1.596 -4.577 -9.048 1.00 0.00 C ATOM 191 CD LYS A 14 2.042 -3.506 -10.057 1.00 0.00 C ATOM 192 CE LYS A 14 3.521 -3.116 -9.907 1.00 0.00 C ATOM 193 NZ LYS A 14 4.458 -4.247 -10.078 1.00 0.00 N ATOM 0 H LYS A 14 -2.543 -5.730 -8.337 1.00 0.00 H new ATOM 0 HA LYS A 14 0.265 -6.543 -8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.413 -4.544 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.191 -3.644 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.101 -4.410 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.904 -5.560 -9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.870 -3.874 -11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.423 -2.617 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.760 -2.345 -10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.673 -2.677 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.358 -3.897 -10.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.629 -4.698 -9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.047 -4.942 -10.733 1.00 0.00 H new ATOM 207 N VAL A 15 0.257 -5.260 -5.754 1.00 0.00 N ATOM 208 CA VAL A 15 0.174 -4.854 -4.367 1.00 0.00 C ATOM 209 C VAL A 15 0.990 -3.569 -4.234 1.00 0.00 C ATOM 210 O VAL A 15 2.205 -3.585 -4.374 1.00 0.00 O ATOM 211 CB VAL A 15 0.713 -5.991 -3.485 1.00 0.00 C ATOM 212 CG1 VAL A 15 0.495 -5.610 -2.022 1.00 0.00 C ATOM 213 CG2 VAL A 15 0.042 -7.346 -3.763 1.00 0.00 C ATOM 0 H VAL A 15 1.212 -5.463 -6.049 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.849 -4.659 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 15 1.771 -6.114 -3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.872 -6.405 -1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.028 -4.684 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.570 -5.468 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.469 -8.105 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.029 -7.266 -3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.210 -7.629 -4.802 1.00 0.00 H new ATOM 223 N VAL A 16 0.350 -2.426 -4.032 1.00 0.00 N ATOM 224 CA VAL A 16 1.004 -1.137 -4.183 1.00 0.00 C ATOM 225 C VAL A 16 0.773 -0.336 -2.919 1.00 0.00 C ATOM 226 O VAL A 16 -0.344 -0.295 -2.405 1.00 0.00 O ATOM 227 CB VAL A 16 0.492 -0.475 -5.466 1.00 0.00 C ATOM 228 CG1 VAL A 16 1.167 0.876 -5.706 1.00 0.00 C ATOM 229 CG2 VAL A 16 0.777 -1.433 -6.637 1.00 0.00 C ATOM 0 H VAL A 16 -0.631 -2.367 -3.760 1.00 0.00 H new ATOM 0 HA VAL A 16 2.084 -1.223 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.578 -0.285 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.780 1.318 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.959 1.541 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.244 0.734 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.422 -0.987 -7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.850 -1.613 -6.707 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.261 -2.378 -6.468 1.00 0.00 H new ATOM 239 N VAL A 17 1.837 0.254 -2.381 1.00 0.00 N ATOM 240 CA VAL A 17 1.810 0.805 -1.041 1.00 0.00 C ATOM 241 C VAL A 17 2.421 2.189 -1.069 1.00 0.00 C ATOM 242 O VAL A 17 3.618 2.332 -1.290 1.00 0.00 O ATOM 243 CB VAL A 17 2.525 -0.119 -0.048 1.00 0.00 C ATOM 244 CG1 VAL A 17 2.252 0.350 1.391 1.00 0.00 C ATOM 245 CG2 VAL A 17 2.107 -1.585 -0.201 1.00 0.00 C ATOM 0 H VAL A 17 2.731 0.360 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 17 0.778 0.884 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 17 3.591 -0.062 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.763 -0.310 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.620 1.368 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.180 0.325 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.644 -2.194 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.034 -1.677 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.345 -1.928 -1.208 1.00 0.00 H new ATOM 255 N PHE A 18 1.605 3.211 -0.858 1.00 0.00 N ATOM 256 CA PHE A 18 2.079 4.583 -0.820 1.00 0.00 C ATOM 257 C PHE A 18 2.697 4.802 0.555 1.00 0.00 C ATOM 258 O PHE A 18 2.022 4.623 1.574 1.00 0.00 O ATOM 259 CB PHE A 18 0.917 5.531 -1.150 1.00 0.00 C ATOM 260 CG PHE A 18 0.387 5.221 -2.527 1.00 0.00 C ATOM 261 CD1 PHE A 18 1.137 5.618 -3.650 1.00 0.00 C ATOM 262 CD2 PHE A 18 -0.750 4.408 -2.682 1.00 0.00 C ATOM 263 CE1 PHE A 18 0.749 5.199 -4.930 1.00 0.00 C ATOM 264 CE2 PHE A 18 -1.134 3.992 -3.964 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.388 4.395 -5.084 1.00 0.00 C ATOM 0 H PHE A 18 0.601 3.112 -0.709 1.00 0.00 H new ATOM 0 HA PHE A 18 2.845 4.791 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.124 5.421 -0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.255 6.566 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.009 6.243 -3.526 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.324 4.106 -1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.325 5.495 -5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.002 3.362 -4.091 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.693 4.083 -6.072 1.00 0.00 H new ATOM 275 N ILE A 19 3.986 5.128 0.578 1.00 0.00 N ATOM 276 CA ILE A 19 4.812 5.266 1.768 1.00 0.00 C ATOM 277 C ILE A 19 5.614 6.559 1.696 1.00 0.00 C ATOM 278 O ILE A 19 5.737 7.156 0.632 1.00 0.00 O ATOM 279 CB ILE A 19 5.799 4.080 1.882 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.771 3.966 0.681 1.00 0.00 C ATOM 281 CG2 ILE A 19 5.081 2.749 2.113 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.221 3.827 1.142 1.00 0.00 C ATOM 0 H ILE A 19 4.507 5.312 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 19 4.156 5.280 2.638 1.00 0.00 H new ATOM 0 HB ILE A 19 6.403 4.303 2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.498 3.104 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.673 4.848 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.816 1.947 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.507 2.801 3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.408 2.549 1.279 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.873 3.750 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.501 4.701 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.324 2.931 1.754 1.00 0.00 H new ATOM 294 N LYS A 20 6.253 6.937 2.799 1.00 0.00 N ATOM 295 CA LYS A 20 7.343 7.907 2.822 1.00 0.00 C ATOM 296 C LYS A 20 8.503 7.243 3.556 1.00 0.00 C ATOM 297 O LYS A 20 8.242 6.604 4.577 1.00 0.00 O ATOM 298 CB LYS A 20 6.916 9.236 3.481 1.00 0.00 C ATOM 299 CG LYS A 20 6.193 9.110 4.838 1.00 0.00 C ATOM 300 CD LYS A 20 5.321 10.322 5.210 1.00 0.00 C ATOM 301 CE LYS A 20 6.075 11.507 5.815 1.00 0.00 C ATOM 302 NZ LYS A 20 6.380 11.318 7.252 1.00 0.00 N ATOM 0 H LYS A 20 6.022 6.569 3.722 1.00 0.00 H new ATOM 0 HA LYS A 20 7.641 8.178 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.804 9.853 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.262 9.769 2.790 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.566 8.219 4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.938 8.960 5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.800 10.662 4.315 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.559 9.997 5.918 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.005 11.658 5.267 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.481 12.412 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.639 12.232 7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.543 10.936 7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.173 10.653 7.354 1.00 0.00 H new ATOM 316 N PRO A 21 9.763 7.434 3.133 1.00 0.00 N ATOM 317 CA PRO A 21 10.954 6.914 3.807 1.00 0.00 C ATOM 318 C PRO A 21 11.274 7.721 5.082 1.00 0.00 C ATOM 319 O PRO A 21 12.434 7.882 5.459 1.00 0.00 O ATOM 320 CB PRO A 21 12.058 7.019 2.748 1.00 0.00 C ATOM 321 CG PRO A 21 11.678 8.300 2.011 1.00 0.00 C ATOM 322 CD PRO A 21 10.160 8.182 1.950 1.00 0.00 C ATOM 0 HA PRO A 21 10.831 5.889 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.048 7.087 3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.068 6.155 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.998 9.192 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.125 8.349 1.018 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.693 9.167 1.937 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.846 7.669 1.041 1.00 0.00 H new ATOM 330 N THR A 22 10.256 8.295 5.715 1.00 0.00 N ATOM 331 CA THR A 22 10.326 9.113 6.912 1.00 0.00 C ATOM 332 C THR A 22 9.048 8.894 7.742 1.00 0.00 C ATOM 333 O THR A 22 8.532 9.808 8.392 1.00 0.00 O ATOM 334 CB THR A 22 10.793 10.525 6.602 1.00 0.00 C ATOM 335 OG1 THR A 22 10.959 11.337 7.749 1.00 0.00 O ATOM 336 CG2 THR A 22 9.826 11.136 5.654 1.00 0.00 C ATOM 0 H THR A 22 9.298 8.192 5.380 1.00 0.00 H new ATOM 0 HA THR A 22 11.119 8.802 7.592 1.00 0.00 H new ATOM 0 HB THR A 22 11.786 10.459 6.157 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.205 11.199 8.360 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.142 12.152 5.417 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.790 10.544 4.739 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.836 11.161 6.109 1.00 0.00 H new ATOM 344 N CYS A 23 8.467 7.696 7.634 1.00 0.00 N ATOM 345 CA CYS A 23 7.426 7.173 8.495 1.00 0.00 C ATOM 346 C CYS A 23 7.916 5.848 9.109 1.00 0.00 C ATOM 347 O CYS A 23 8.204 4.907 8.359 1.00 0.00 O ATOM 348 CB CYS A 23 6.177 6.952 7.646 1.00 0.00 C ATOM 349 SG CYS A 23 4.749 6.326 8.533 1.00 0.00 S ATOM 0 H CYS A 23 8.731 7.037 6.902 1.00 0.00 H new ATOM 0 HA CYS A 23 7.191 7.865 9.303 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.906 7.897 7.175 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.421 6.255 6.845 1.00 0.00 H new ATOM 0 HG CYS A 23 3.706 6.362 7.757 1.00 0.00 H new ATOM 354 N PRO A 24 7.937 5.713 10.446 1.00 0.00 N ATOM 355 CA PRO A 24 8.220 4.437 11.074 1.00 0.00 C ATOM 356 C PRO A 24 7.124 3.403 10.792 1.00 0.00 C ATOM 357 O PRO A 24 7.418 2.205 10.814 1.00 0.00 O ATOM 358 CB PRO A 24 8.382 4.731 12.571 1.00 0.00 C ATOM 359 CG PRO A 24 7.644 6.047 12.798 1.00 0.00 C ATOM 360 CD PRO A 24 7.668 6.740 11.438 1.00 0.00 C ATOM 0 HA PRO A 24 9.128 3.989 10.669 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.958 3.931 13.178 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.434 4.816 12.845 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.623 5.875 13.138 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.136 6.651 13.560 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.715 7.230 11.238 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.436 7.513 11.412 1.00 0.00 H new ATOM 368 N TYR A 25 5.890 3.830 10.503 1.00 0.00 N ATOM 369 CA TYR A 25 4.790 2.922 10.204 1.00 0.00 C ATOM 370 C TYR A 25 4.913 2.436 8.763 1.00 0.00 C ATOM 371 O TYR A 25 4.517 1.305 8.478 1.00 0.00 O ATOM 372 CB TYR A 25 3.421 3.575 10.491 1.00 0.00 C ATOM 373 CG TYR A 25 3.166 3.845 11.965 1.00 0.00 C ATOM 374 CD1 TYR A 25 3.944 4.796 12.648 1.00 0.00 C ATOM 375 CD2 TYR A 25 2.201 3.105 12.679 1.00 0.00 C ATOM 376 CE1 TYR A 25 3.849 4.929 14.041 1.00 0.00 C ATOM 377 CE2 TYR A 25 2.064 3.266 14.070 1.00 0.00 C ATOM 378 CZ TYR A 25 2.908 4.164 14.762 1.00 0.00 C ATOM 379 OH TYR A 25 2.818 4.289 16.115 1.00 0.00 O ATOM 0 H TYR A 25 5.631 4.816 10.471 1.00 0.00 H new ATOM 0 HA TYR A 25 4.851 2.056 10.863 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.355 4.515 9.943 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.633 2.927 10.108 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.621 5.430 12.095 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.563 2.410 12.154 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.497 5.618 14.562 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.315 2.704 14.608 1.00 0.00 H new ATOM 0 HH TYR A 25 2.119 3.691 16.453 1.00 0.00 H new ATOM 389 N CYS A 26 5.505 3.231 7.862 1.00 0.00 N ATOM 390 CA CYS A 26 5.821 2.765 6.520 1.00 0.00 C ATOM 391 C CYS A 26 6.888 1.678 6.633 1.00 0.00 C ATOM 392 O CYS A 26 6.701 0.603 6.066 1.00 0.00 O ATOM 393 CB CYS A 26 6.325 3.906 5.642 1.00 0.00 C ATOM 394 SG CYS A 26 4.915 4.972 5.217 1.00 0.00 S ATOM 0 H CYS A 26 5.772 4.198 8.045 1.00 0.00 H new ATOM 0 HA CYS A 26 4.919 2.369 6.053 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.089 4.479 6.167 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.788 3.512 4.737 1.00 0.00 H new ATOM 0 HG CYS A 26 4.627 5.735 6.230 1.00 0.00 H new ATOM 400 N ARG A 27 7.950 1.914 7.423 1.00 0.00 N ATOM 401 CA ARG A 27 8.963 0.890 7.685 1.00 0.00 C ATOM 402 C ARG A 27 8.297 -0.400 8.162 1.00 0.00 C ATOM 403 O ARG A 27 8.618 -1.461 7.619 1.00 0.00 O ATOM 404 CB ARG A 27 10.066 1.390 8.637 1.00 0.00 C ATOM 405 CG ARG A 27 11.183 0.334 8.718 1.00 0.00 C ATOM 406 CD ARG A 27 12.158 0.474 9.888 1.00 0.00 C ATOM 407 NE ARG A 27 13.281 1.360 9.573 1.00 0.00 N ATOM 408 CZ ARG A 27 14.405 1.455 10.286 1.00 0.00 C ATOM 409 NH1 ARG A 27 14.534 0.826 11.447 1.00 0.00 N ATOM 410 NH2 ARG A 27 15.412 2.193 9.846 1.00 0.00 N ATOM 0 H ARG A 27 8.124 2.805 7.888 1.00 0.00 H new ATOM 0 HA ARG A 27 9.476 0.666 6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.470 2.337 8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.651 1.575 9.628 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.720 -0.651 8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.754 0.367 7.790 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.626 0.861 10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.540 -0.510 10.160 1.00 0.00 H new ATOM 0 HE ARG A 27 13.197 1.950 8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.767 0.259 11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.400 0.910 11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.330 2.691 8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.270 2.264 10.393 1.00 0.00 H new ATOM 424 N ARG A 28 7.373 -0.335 9.134 1.00 0.00 N ATOM 425 CA ARG A 28 6.662 -1.541 9.557 1.00 0.00 C ATOM 426 C ARG A 28 5.997 -2.190 8.368 1.00 0.00 C ATOM 427 O ARG A 28 6.214 -3.374 8.146 1.00 0.00 O ATOM 428 CB ARG A 28 5.586 -1.289 10.624 1.00 0.00 C ATOM 429 CG ARG A 28 4.935 -2.622 11.072 1.00 0.00 C ATOM 430 CD ARG A 28 5.922 -3.511 11.851 1.00 0.00 C ATOM 431 NE ARG A 28 5.268 -4.704 12.411 1.00 0.00 N ATOM 432 CZ ARG A 28 5.702 -5.971 12.370 1.00 0.00 C ATOM 433 NH1 ARG A 28 6.893 -6.293 11.867 1.00 0.00 N ATOM 434 NH2 ARG A 28 4.893 -6.923 12.822 1.00 0.00 N ATOM 0 H ARG A 28 7.109 0.518 9.627 1.00 0.00 H new ATOM 0 HA ARG A 28 7.420 -2.187 10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.030 -0.789 11.484 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.822 -0.621 10.226 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.067 -2.410 11.696 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.574 -3.162 10.197 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.732 -3.819 11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.372 -2.932 12.658 1.00 0.00 H new ATOM 0 HE ARG A 28 4.379 -4.548 12.887 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.505 -5.565 11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.193 -7.268 11.851 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.972 -6.679 13.186 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.193 -7.898 12.805 1.00 0.00 H new ATOM 448 N ALA A 29 5.130 -1.445 7.686 1.00 0.00 N ATOM 449 CA ALA A 29 4.315 -1.974 6.602 1.00 0.00 C ATOM 450 C ALA A 29 5.171 -2.685 5.554 1.00 0.00 C ATOM 451 O ALA A 29 4.754 -3.738 5.086 1.00 0.00 O ATOM 452 CB ALA A 29 3.461 -0.882 5.962 1.00 0.00 C ATOM 0 H ALA A 29 4.975 -0.454 7.873 1.00 0.00 H new ATOM 0 HA ALA A 29 3.640 -2.712 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.865 -1.311 5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.799 -0.451 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.108 -0.103 5.559 1.00 0.00 H new ATOM 458 N GLN A 30 6.355 -2.167 5.213 1.00 0.00 N ATOM 459 CA GLN A 30 7.305 -2.844 4.358 1.00 0.00 C ATOM 460 C GLN A 30 7.691 -4.223 4.863 1.00 0.00 C ATOM 461 O GLN A 30 7.769 -5.156 4.069 1.00 0.00 O ATOM 462 CB GLN A 30 8.566 -1.972 4.185 1.00 0.00 C ATOM 463 CG GLN A 30 8.726 -1.512 2.741 1.00 0.00 C ATOM 464 CD GLN A 30 8.741 0.001 2.551 1.00 0.00 C ATOM 465 OE1 GLN A 30 7.969 0.747 3.146 1.00 0.00 O ATOM 466 NE2 GLN A 30 9.625 0.499 1.711 1.00 0.00 N ATOM 0 H GLN A 30 6.674 -1.253 5.533 1.00 0.00 H new ATOM 0 HA GLN A 30 6.814 -2.992 3.396 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.503 -1.104 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.447 -2.538 4.489 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.654 -1.923 2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.912 -1.931 2.149 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.266 -0.122 1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.669 1.506 1.554 1.00 0.00 H new ATOM 475 N GLU A 31 7.987 -4.364 6.147 1.00 0.00 N ATOM 476 CA GLU A 31 8.380 -5.634 6.725 1.00 0.00 C ATOM 477 C GLU A 31 7.169 -6.556 6.765 1.00 0.00 C ATOM 478 O GLU A 31 7.204 -7.646 6.206 1.00 0.00 O ATOM 479 CB GLU A 31 8.965 -5.368 8.127 1.00 0.00 C ATOM 480 CG GLU A 31 10.451 -5.714 8.238 1.00 0.00 C ATOM 481 CD GLU A 31 10.708 -7.217 8.159 1.00 0.00 C ATOM 482 OE1 GLU A 31 10.313 -7.930 9.104 1.00 0.00 O ATOM 483 OE2 GLU A 31 11.303 -7.666 7.149 1.00 0.00 O ATOM 0 H GLU A 31 7.960 -3.595 6.817 1.00 0.00 H new ATOM 0 HA GLU A 31 9.146 -6.128 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.824 -4.317 8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.408 -5.949 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.998 -5.212 7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.841 -5.331 9.181 1.00 0.00 H new ATOM 490 N ILE A 32 6.076 -6.076 7.355 1.00 0.00 N ATOM 491 CA ILE A 32 4.783 -6.734 7.441 1.00 0.00 C ATOM 492 C ILE A 32 4.407 -7.343 6.100 1.00 0.00 C ATOM 493 O ILE A 32 4.050 -8.519 6.053 1.00 0.00 O ATOM 494 CB ILE A 32 3.756 -5.698 7.951 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.724 -5.742 9.491 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.345 -5.818 7.379 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.583 -4.940 10.136 1.00 0.00 C ATOM 0 H ILE A 32 6.074 -5.164 7.811 1.00 0.00 H new ATOM 0 HA ILE A 32 4.809 -7.566 8.145 1.00 0.00 H new ATOM 0 HB ILE A 32 4.104 -4.732 7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.643 -6.781 9.809 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.674 -5.365 9.871 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.712 -5.041 7.807 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.380 -5.701 6.296 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.935 -6.797 7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.642 -5.031 11.221 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.671 -3.891 9.854 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.625 -5.329 9.791 1.00 0.00 H new ATOM 509 N LEU A 33 4.436 -6.538 5.034 1.00 0.00 N ATOM 510 CA LEU A 33 3.974 -7.006 3.751 1.00 0.00 C ATOM 511 C LEU A 33 5.056 -7.872 3.114 1.00 0.00 C ATOM 512 O LEU A 33 4.723 -8.930 2.588 1.00 0.00 O ATOM 513 CB LEU A 33 3.574 -5.861 2.798 1.00 0.00 C ATOM 514 CG LEU A 33 2.080 -5.476 2.849 1.00 0.00 C ATOM 515 CD1 LEU A 33 1.823 -4.272 1.955 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.163 -6.608 2.365 1.00 0.00 C ATOM 0 H LEU A 33 4.772 -5.575 5.045 1.00 0.00 H new ATOM 0 HA LEU A 33 3.070 -7.591 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.171 -4.981 3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.827 -6.150 1.778 1.00 0.00 H new ATOM 0 HG LEU A 33 1.855 -5.258 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.767 -4.007 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.423 -3.429 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.096 -4.516 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.124 -6.284 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.409 -6.859 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.304 -7.486 2.996 1.00 0.00 H new ATOM 528 N SER A 34 6.327 -7.441 3.111 1.00 0.00 N ATOM 529 CA SER A 34 7.319 -8.122 2.274 1.00 0.00 C ATOM 530 C SER A 34 7.882 -9.392 2.938 1.00 0.00 C ATOM 531 O SER A 34 8.610 -10.139 2.288 1.00 0.00 O ATOM 532 CB SER A 34 8.404 -7.133 1.823 1.00 0.00 C ATOM 533 OG SER A 34 8.906 -7.444 0.536 1.00 0.00 O ATOM 0 H SER A 34 6.680 -6.655 3.657 1.00 0.00 H new ATOM 0 HA SER A 34 6.818 -8.482 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.994 -6.123 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.223 -7.141 2.543 1.00 0.00 H new ATOM 0 HG SER A 34 9.592 -6.791 0.286 1.00 0.00 H new ATOM 539 N GLN A 35 7.549 -9.682 4.201 1.00 0.00 N ATOM 540 CA GLN A 35 7.809 -10.987 4.815 1.00 0.00 C ATOM 541 C GLN A 35 6.839 -12.052 4.277 1.00 0.00 C ATOM 542 O GLN A 35 7.069 -13.245 4.468 1.00 0.00 O ATOM 543 CB GLN A 35 7.642 -10.879 6.344 1.00 0.00 C ATOM 544 CG GLN A 35 8.783 -10.127 7.055 1.00 0.00 C ATOM 545 CD GLN A 35 9.995 -10.994 7.397 1.00 0.00 C ATOM 546 OE1 GLN A 35 10.257 -12.021 6.785 1.00 0.00 O ATOM 547 NE2 GLN A 35 10.772 -10.594 8.387 1.00 0.00 N ATOM 0 H GLN A 35 7.092 -9.018 4.825 1.00 0.00 H new ATOM 0 HA GLN A 35 8.828 -11.285 4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.700 -10.375 6.560 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.569 -11.883 6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.109 -9.303 6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.395 -9.688 7.974 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.551 -9.738 8.895 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.593 -11.141 8.644 1.00 0.00 H new ATOM 556 N LEU A 36 5.733 -11.660 3.633 1.00 0.00 N ATOM 557 CA LEU A 36 4.773 -12.608 3.090 1.00 0.00 C ATOM 558 C LEU A 36 5.327 -13.173 1.778 1.00 0.00 C ATOM 559 O LEU A 36 6.012 -12.452 1.044 1.00 0.00 O ATOM 560 CB LEU A 36 3.430 -11.900 2.855 1.00 0.00 C ATOM 561 CG LEU A 36 2.817 -11.278 4.126 1.00 0.00 C ATOM 562 CD1 LEU A 36 1.598 -10.430 3.761 1.00 0.00 C ATOM 563 CD2 LEU A 36 2.396 -12.338 5.152 1.00 0.00 C ATOM 0 H LEU A 36 5.486 -10.682 3.478 1.00 0.00 H new ATOM 0 HA LEU A 36 4.611 -13.427 3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.570 -11.116 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.723 -12.615 2.436 1.00 0.00 H new ATOM 0 HG LEU A 36 3.591 -10.658 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.173 -9.996 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.900 -9.632 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.851 -11.057 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.971 -11.848 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.651 -12.998 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.267 -12.922 5.450 1.00 0.00 H new ATOM 575 N PRO A 37 4.968 -14.413 1.398 1.00 0.00 N ATOM 576 CA PRO A 37 5.422 -15.035 0.154 1.00 0.00 C ATOM 577 C PRO A 37 4.631 -14.506 -1.057 1.00 0.00 C ATOM 578 O PRO A 37 4.187 -15.282 -1.903 1.00 0.00 O ATOM 579 CB PRO A 37 5.239 -16.539 0.406 1.00 0.00 C ATOM 580 CG PRO A 37 3.979 -16.585 1.267 1.00 0.00 C ATOM 581 CD PRO A 37 4.116 -15.337 2.140 1.00 0.00 C ATOM 0 HA PRO A 37 6.457 -14.804 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.114 -17.093 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.097 -16.971 0.921 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.074 -16.556 0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.932 -17.494 1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.141 -14.893 2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.558 -15.584 3.106 1.00 0.00 H new ATOM 589 N ILE A 38 4.383 -13.193 -1.103 1.00 0.00 N ATOM 590 CA ILE A 38 3.635 -12.508 -2.152 1.00 0.00 C ATOM 591 C ILE A 38 4.499 -12.656 -3.403 1.00 0.00 C ATOM 592 O ILE A 38 5.731 -12.618 -3.289 1.00 0.00 O ATOM 593 CB ILE A 38 3.491 -11.008 -1.760 1.00 0.00 C ATOM 594 CG1 ILE A 38 2.296 -10.895 -0.797 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.209 -10.070 -2.968 1.00 0.00 C ATOM 596 CD1 ILE A 38 2.203 -9.542 -0.091 1.00 0.00 C ATOM 0 H ILE A 38 4.713 -12.556 -0.378 1.00 0.00 H new ATOM 0 HA ILE A 38 2.634 -12.911 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 38 4.437 -10.694 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.375 -11.069 -1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.369 -11.682 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.121 -9.042 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.029 -10.141 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.279 -10.369 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.337 -9.536 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.108 -9.373 0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.098 -8.751 -0.833 1.00 0.00 H new ATOM 608 N LYS A 39 3.872 -12.782 -4.577 1.00 0.00 N ATOM 609 CA LYS A 39 4.600 -12.968 -5.811 1.00 0.00 C ATOM 610 C LYS A 39 5.525 -11.770 -5.953 1.00 0.00 C ATOM 611 O LYS A 39 5.053 -10.628 -5.949 1.00 0.00 O ATOM 612 CB LYS A 39 3.666 -13.123 -7.014 1.00 0.00 C ATOM 613 CG LYS A 39 3.358 -14.597 -7.350 1.00 0.00 C ATOM 614 CD LYS A 39 4.399 -15.291 -8.244 1.00 0.00 C ATOM 615 CE LYS A 39 4.588 -14.606 -9.603 1.00 0.00 C ATOM 616 NZ LYS A 39 5.581 -15.297 -10.448 1.00 0.00 N ATOM 0 H LYS A 39 2.858 -12.757 -4.686 1.00 0.00 H new ATOM 0 HA LYS A 39 5.174 -13.894 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.732 -12.599 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.118 -12.645 -7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.271 -15.156 -6.418 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.387 -14.646 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.356 -15.317 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.096 -16.326 -8.406 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.632 -14.571 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.903 -13.574 -9.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.673 -14.797 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.501 -15.308 -9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.269 -16.274 -10.622 1.00 0.00 H new ATOM 630 N GLN A 40 6.824 -12.016 -6.075 1.00 0.00 N ATOM 631 CA GLN A 40 7.765 -10.909 -6.090 1.00 0.00 C ATOM 632 C GLN A 40 7.514 -10.102 -7.359 1.00 0.00 C ATOM 633 O GLN A 40 7.159 -10.670 -8.399 1.00 0.00 O ATOM 634 CB GLN A 40 9.208 -11.391 -5.920 1.00 0.00 C ATOM 635 CG GLN A 40 10.152 -10.196 -5.709 1.00 0.00 C ATOM 636 CD GLN A 40 11.370 -10.576 -4.883 1.00 0.00 C ATOM 637 OE1 GLN A 40 11.368 -10.467 -3.657 1.00 0.00 O ATOM 638 NE2 GLN A 40 12.422 -11.046 -5.524 1.00 0.00 N ATOM 0 H GLN A 40 7.238 -12.944 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 40 7.608 -10.251 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.274 -12.069 -5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.516 -11.954 -6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.475 -9.813 -6.677 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.612 -9.390 -5.211 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.405 -11.129 -6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.253 -11.327 -5.003 1.00 0.00 H new ATOM 647 N GLY A 41 7.707 -8.788 -7.299 1.00 0.00 N ATOM 648 CA GLY A 41 7.354 -7.877 -8.372 1.00 0.00 C ATOM 649 C GLY A 41 5.949 -7.327 -8.167 1.00 0.00 C ATOM 650 O GLY A 41 5.708 -6.183 -8.550 1.00 0.00 O ATOM 0 H GLY A 41 8.119 -8.324 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.070 -7.056 -8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.412 -8.394 -9.330 1.00 0.00 H new ATOM 654 N LEU A 42 5.037 -8.052 -7.495 1.00 0.00 N ATOM 655 CA LEU A 42 3.723 -7.498 -7.254 1.00 0.00 C ATOM 656 C LEU A 42 3.809 -6.425 -6.183 1.00 0.00 C ATOM 657 O LEU A 42 2.980 -5.531 -6.236 1.00 0.00 O ATOM 658 CB LEU A 42 2.708 -8.521 -6.749 1.00 0.00 C ATOM 659 CG LEU A 42 2.295 -9.678 -7.667 1.00 0.00 C ATOM 660 CD1 LEU A 42 0.961 -10.198 -7.130 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.106 -9.303 -9.132 1.00 0.00 C ATOM 0 H LEU A 42 5.191 -8.990 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 42 3.390 -7.114 -8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.107 -8.955 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.803 -7.979 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 42 3.102 -10.411 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.618 -11.027 -7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.091 -10.541 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.222 -9.397 -7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.815 -10.187 -9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.327 -8.545 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.041 -8.908 -9.530 1.00 0.00 H new ATOM 673 N LEU A 43 4.732 -6.502 -5.216 1.00 0.00 N ATOM 674 CA LEU A 43 4.793 -5.505 -4.152 1.00 0.00 C ATOM 675 C LEU A 43 5.595 -4.314 -4.677 1.00 0.00 C ATOM 676 O LEU A 43 6.763 -4.488 -5.026 1.00 0.00 O ATOM 677 CB LEU A 43 5.403 -6.064 -2.847 1.00 0.00 C ATOM 678 CG LEU A 43 4.667 -5.667 -1.540 1.00 0.00 C ATOM 679 CD1 LEU A 43 4.059 -4.256 -1.503 1.00 0.00 C ATOM 680 CD2 LEU A 43 3.573 -6.679 -1.186 1.00 0.00 C ATOM 0 H LEU A 43 5.437 -7.237 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 43 3.781 -5.198 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.426 -7.152 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.437 -5.727 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 43 5.468 -5.669 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.572 -4.095 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.848 -3.516 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.325 -4.155 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.077 -6.371 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.843 -6.723 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.020 -7.663 -1.046 1.00 0.00 H new ATOM 692 N GLU A 44 5.001 -3.121 -4.736 1.00 0.00 N ATOM 693 CA GLU A 44 5.717 -1.884 -5.022 1.00 0.00 C ATOM 694 C GLU A 44 5.385 -0.838 -3.956 1.00 0.00 C ATOM 695 O GLU A 44 4.261 -0.344 -3.863 1.00 0.00 O ATOM 696 CB GLU A 44 5.505 -1.396 -6.466 1.00 0.00 C ATOM 697 CG GLU A 44 6.569 -0.313 -6.715 1.00 0.00 C ATOM 698 CD GLU A 44 6.732 0.177 -8.159 1.00 0.00 C ATOM 699 OE1 GLU A 44 5.783 0.128 -8.972 1.00 0.00 O ATOM 700 OE2 GLU A 44 7.864 0.641 -8.453 1.00 0.00 O ATOM 0 H GLU A 44 4.001 -2.989 -4.585 1.00 0.00 H new ATOM 0 HA GLU A 44 6.788 -2.077 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.613 -2.218 -7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.501 -0.992 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.331 0.547 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.531 -0.698 -6.376 1.00 0.00 H new ATOM 707 N PHE A 45 6.375 -0.523 -3.121 1.00 0.00 N ATOM 708 CA PHE A 45 6.310 0.527 -2.118 1.00 0.00 C ATOM 709 C PHE A 45 6.663 1.852 -2.806 1.00 0.00 C ATOM 710 O PHE A 45 7.827 2.079 -3.145 1.00 0.00 O ATOM 711 CB PHE A 45 7.255 0.169 -0.959 1.00 0.00 C ATOM 712 CG PHE A 45 6.908 -1.155 -0.296 1.00 0.00 C ATOM 713 CD1 PHE A 45 5.877 -1.212 0.663 1.00 0.00 C ATOM 714 CD2 PHE A 45 7.595 -2.335 -0.648 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.513 -2.441 1.243 1.00 0.00 C ATOM 716 CE2 PHE A 45 7.251 -3.559 -0.046 1.00 0.00 C ATOM 717 CZ PHE A 45 6.210 -3.613 0.897 1.00 0.00 C ATOM 0 H PHE A 45 7.271 -1.010 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 45 5.314 0.629 -1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.278 0.125 -1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.222 0.962 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.364 -0.308 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.387 -2.299 -1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.700 -2.485 1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.788 -4.459 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.945 -4.554 1.356 1.00 0.00 H new ATOM 727 N VAL A 46 5.664 2.685 -3.085 1.00 0.00 N ATOM 728 CA VAL A 46 5.753 3.916 -3.853 1.00 0.00 C ATOM 729 C VAL A 46 6.038 5.044 -2.867 1.00 0.00 C ATOM 730 O VAL A 46 5.216 5.346 -2.002 1.00 0.00 O ATOM 731 CB VAL A 46 4.432 4.160 -4.610 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.507 5.421 -5.486 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.049 2.975 -5.507 1.00 0.00 C ATOM 0 H VAL A 46 4.714 2.504 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 46 6.548 3.860 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 46 3.671 4.288 -3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.558 5.561 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.709 6.289 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.307 5.309 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.112 3.194 -6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.835 2.808 -6.244 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.928 2.080 -4.896 1.00 0.00 H new ATOM 743 N ASP A 47 7.210 5.655 -2.990 1.00 0.00 N ATOM 744 CA ASP A 47 7.598 6.855 -2.260 1.00 0.00 C ATOM 745 C ASP A 47 6.747 8.058 -2.690 1.00 0.00 C ATOM 746 O ASP A 47 6.873 8.523 -3.823 1.00 0.00 O ATOM 747 CB ASP A 47 9.093 7.090 -2.509 1.00 0.00 C ATOM 748 CG ASP A 47 9.724 8.113 -1.566 1.00 0.00 C ATOM 749 OD1 ASP A 47 8.980 8.875 -0.913 1.00 0.00 O ATOM 750 OD2 ASP A 47 10.979 8.097 -1.476 1.00 0.00 O ATOM 0 H ASP A 47 7.939 5.319 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 47 7.423 6.727 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.622 6.142 -2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.232 7.424 -3.537 1.00 0.00 H new ATOM 755 N ILE A 48 5.865 8.555 -1.813 1.00 0.00 N ATOM 756 CA ILE A 48 5.073 9.772 -2.033 1.00 0.00 C ATOM 757 C ILE A 48 5.915 11.050 -1.989 1.00 0.00 C ATOM 758 O ILE A 48 5.359 12.142 -2.120 1.00 0.00 O ATOM 759 CB ILE A 48 3.890 9.905 -1.042 1.00 0.00 C ATOM 760 CG1 ILE A 48 4.294 10.125 0.435 1.00 0.00 C ATOM 761 CG2 ILE A 48 2.947 8.699 -1.191 1.00 0.00 C ATOM 762 CD1 ILE A 48 3.139 10.657 1.285 1.00 0.00 C ATOM 0 H ILE A 48 5.678 8.113 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 48 4.672 9.659 -3.040 1.00 0.00 H new ATOM 0 HB ILE A 48 3.371 10.823 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.647 9.184 0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.127 10.826 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.117 8.798 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.561 8.663 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.494 7.781 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.476 10.794 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.802 11.613 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.315 9.944 1.265 1.00 0.00 H new ATOM 774 N THR A 49 7.215 10.952 -1.719 1.00 0.00 N ATOM 775 CA THR A 49 8.095 12.095 -1.723 1.00 0.00 C ATOM 776 C THR A 49 9.415 11.750 -2.417 1.00 0.00 C ATOM 777 O THR A 49 10.467 12.303 -2.085 1.00 0.00 O ATOM 778 CB THR A 49 8.145 12.697 -0.307 1.00 0.00 C ATOM 779 OG1 THR A 49 8.598 14.036 -0.389 1.00 0.00 O ATOM 780 CG2 THR A 49 8.907 11.870 0.734 1.00 0.00 C ATOM 0 H THR A 49 7.678 10.072 -1.492 1.00 0.00 H new ATOM 0 HA THR A 49 7.722 12.915 -2.337 1.00 0.00 H new ATOM 0 HB THR A 49 7.126 12.678 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.392 14.078 -0.962 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.882 12.383 1.696 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.440 10.890 0.833 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.942 11.748 0.415 1.00 0.00 H new ATOM 788 N ALA A 50 9.353 10.914 -3.464 1.00 0.00 N ATOM 789 CA ALA A 50 10.395 10.825 -4.482 1.00 0.00 C ATOM 790 C ALA A 50 10.354 12.085 -5.366 1.00 0.00 C ATOM 791 O ALA A 50 10.175 11.995 -6.584 1.00 0.00 O ATOM 792 CB ALA A 50 10.233 9.530 -5.293 1.00 0.00 C ATOM 0 H ALA A 50 8.571 10.279 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 50 11.378 10.783 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.016 9.474 -6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.311 8.671 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.257 9.525 -5.779 1.00 0.00 H new ATOM 798 N THR A 51 10.457 13.255 -4.733 1.00 0.00 N ATOM 799 CA THR A 51 10.456 14.590 -5.313 1.00 0.00 C ATOM 800 C THR A 51 9.226 14.805 -6.206 1.00 0.00 C ATOM 801 O THR A 51 9.361 14.932 -7.429 1.00 0.00 O ATOM 802 CB THR A 51 11.826 14.916 -5.945 1.00 0.00 C ATOM 803 OG1 THR A 51 12.206 13.990 -6.946 1.00 0.00 O ATOM 804 CG2 THR A 51 12.933 14.868 -4.888 1.00 0.00 C ATOM 0 H THR A 51 10.551 13.291 -3.718 1.00 0.00 H new ATOM 0 HA THR A 51 10.341 15.339 -4.529 1.00 0.00 H new ATOM 0 HB THR A 51 11.711 15.909 -6.380 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.423 13.750 -7.484 1.00 0.00 H new ATOM 0 HG21 THR A 51 13.891 15.101 -5.353 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.722 15.598 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.975 13.871 -4.450 1.00 0.00 H new ATOM 812 N ASN A 52 8.025 14.807 -5.618 1.00 0.00 N ATOM 813 CA ASN A 52 6.808 15.168 -6.338 1.00 0.00 C ATOM 814 C ASN A 52 5.865 15.936 -5.417 1.00 0.00 C ATOM 815 O ASN A 52 6.000 17.157 -5.349 1.00 0.00 O ATOM 816 CB ASN A 52 6.173 13.949 -7.031 1.00 0.00 C ATOM 817 CG ASN A 52 5.483 14.306 -8.336 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.261 14.244 -8.463 1.00 0.00 O ATOM 819 ND2 ASN A 52 6.262 14.638 -9.350 1.00 0.00 N ATOM 0 H ASN A 52 7.874 14.561 -4.640 1.00 0.00 H new ATOM 0 HA ASN A 52 7.057 15.845 -7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.945 13.205 -7.226 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.450 13.490 -6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.852 14.849 -10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.273 14.683 -9.223 1.00 0.00 H new ATOM 826 N HIS A 53 4.907 15.290 -4.733 1.00 0.00 N ATOM 827 CA HIS A 53 3.785 16.023 -4.147 1.00 0.00 C ATOM 828 C HIS A 53 3.064 15.256 -3.028 1.00 0.00 C ATOM 829 O HIS A 53 1.852 15.049 -3.101 1.00 0.00 O ATOM 830 CB HIS A 53 2.839 16.469 -5.294 1.00 0.00 C ATOM 831 CG HIS A 53 2.239 17.836 -5.091 1.00 0.00 C ATOM 832 ND1 HIS A 53 1.075 18.303 -5.638 1.00 0.00 N flip ATOM 833 CD2 HIS A 53 2.839 18.887 -4.437 1.00 0.00 C flip ATOM 834 CE1 HIS A 53 0.959 19.653 -5.280 1.00 0.00 C flip ATOM 835 NE2 HIS A 53 2.049 19.955 -4.555 1.00 0.00 N flip ATOM 0 H HIS A 53 4.890 14.282 -4.577 1.00 0.00 H new ATOM 0 HA HIS A 53 4.171 16.906 -3.638 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.393 16.461 -6.233 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.034 15.740 -5.393 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.786 18.853 -3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.150 20.321 -5.537 1.00 0.00 H new ATOM 0 HE2 HIS A 53 2.245 20.871 -4.152 1.00 0.00 H new ATOM 843 N THR A 54 3.786 14.855 -1.974 1.00 0.00 N ATOM 844 CA THR A 54 3.247 14.102 -0.830 1.00 0.00 C ATOM 845 C THR A 54 1.932 14.673 -0.351 1.00 0.00 C ATOM 846 O THR A 54 0.950 13.948 -0.352 1.00 0.00 O ATOM 847 CB THR A 54 4.232 13.907 0.337 1.00 0.00 C ATOM 848 OG1 THR A 54 3.660 13.900 1.637 1.00 0.00 O ATOM 849 CG2 THR A 54 5.348 14.910 0.416 1.00 0.00 C ATOM 0 H THR A 54 4.784 15.049 -1.889 1.00 0.00 H new ATOM 0 HA THR A 54 3.068 13.100 -1.221 1.00 0.00 H new ATOM 0 HB THR A 54 4.608 12.918 0.074 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.366 13.769 2.304 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.983 14.682 1.272 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.941 14.867 -0.497 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.931 15.910 0.530 1.00 0.00 H new ATOM 857 N ASN A 55 1.940 15.912 0.137 1.00 0.00 N ATOM 858 CA ASN A 55 0.759 16.541 0.746 1.00 0.00 C ATOM 859 C ASN A 55 -0.478 16.331 -0.112 1.00 0.00 C ATOM 860 O ASN A 55 -1.485 15.824 0.382 1.00 0.00 O ATOM 861 CB ASN A 55 0.926 18.049 0.994 1.00 0.00 C ATOM 862 CG ASN A 55 1.539 18.375 2.343 1.00 0.00 C ATOM 863 OD1 ASN A 55 2.032 17.503 3.057 1.00 0.00 O ATOM 864 ND2 ASN A 55 1.439 19.615 2.773 1.00 0.00 N ATOM 0 H ASN A 55 2.764 16.513 0.124 1.00 0.00 H new ATOM 0 HA ASN A 55 0.643 16.050 1.712 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.551 18.472 0.208 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.049 18.532 0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.772 19.860 3.706 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.029 20.331 2.174 1.00 0.00 H new ATOM 871 N GLU A 56 -0.413 16.713 -1.383 1.00 0.00 N ATOM 872 CA GLU A 56 -1.528 16.592 -2.284 1.00 0.00 C ATOM 873 C GLU A 56 -1.890 15.133 -2.534 1.00 0.00 C ATOM 874 O GLU A 56 -3.069 14.803 -2.509 1.00 0.00 O ATOM 875 CB GLU A 56 -1.159 17.327 -3.571 1.00 0.00 C ATOM 876 CG GLU A 56 -2.285 18.247 -4.031 1.00 0.00 C ATOM 877 CD GLU A 56 -2.766 17.871 -5.425 1.00 0.00 C ATOM 878 OE1 GLU A 56 -3.608 16.953 -5.542 1.00 0.00 O ATOM 879 OE2 GLU A 56 -2.235 18.418 -6.417 1.00 0.00 O ATOM 0 H GLU A 56 0.422 17.115 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.420 17.041 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.253 17.911 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.937 16.602 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.116 18.189 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.938 19.280 -4.029 1.00 0.00 H new ATOM 886 N ILE A 57 -0.909 14.244 -2.712 1.00 0.00 N ATOM 887 CA ILE A 57 -1.140 12.810 -2.873 1.00 0.00 C ATOM 888 C ILE A 57 -1.862 12.289 -1.619 1.00 0.00 C ATOM 889 O ILE A 57 -2.750 11.447 -1.726 1.00 0.00 O ATOM 890 CB ILE A 57 0.220 12.102 -3.130 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.583 12.203 -4.630 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.175 10.613 -2.728 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.073 11.956 -4.908 1.00 0.00 C ATOM 0 H ILE A 57 0.077 14.504 -2.748 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.777 12.599 -3.732 1.00 0.00 H new ATOM 0 HB ILE A 57 0.972 12.601 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.010 11.480 -5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.310 13.192 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.144 10.154 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.059 10.530 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.592 10.102 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.262 12.041 -5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.670 12.695 -4.374 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.345 10.956 -4.570 1.00 0.00 H new ATOM 905 N GLN A 58 -1.479 12.764 -0.434 1.00 0.00 N ATOM 906 CA GLN A 58 -1.885 12.245 0.860 1.00 0.00 C ATOM 907 C GLN A 58 -3.376 12.607 1.014 1.00 0.00 C ATOM 908 O GLN A 58 -4.155 11.783 1.494 1.00 0.00 O ATOM 909 CB GLN A 58 -1.050 12.933 1.970 1.00 0.00 C ATOM 910 CG GLN A 58 0.243 12.206 2.398 1.00 0.00 C ATOM 911 CD GLN A 58 0.550 12.306 3.893 1.00 0.00 C ATOM 912 OE1 GLN A 58 1.561 12.883 4.271 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.276 11.749 4.763 1.00 0.00 N ATOM 0 H GLN A 58 -0.846 13.560 -0.353 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.731 11.169 0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.784 13.933 1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.682 13.054 2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.163 11.154 2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.082 12.619 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.115 11.271 4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.074 11.798 5.762 1.00 0.00 H new ATOM 922 N ASP A 59 -3.759 13.827 0.611 1.00 0.00 N ATOM 923 CA ASP A 59 -5.113 14.386 0.688 1.00 0.00 C ATOM 924 C ASP A 59 -6.007 13.836 -0.420 1.00 0.00 C ATOM 925 O ASP A 59 -7.166 13.499 -0.192 1.00 0.00 O ATOM 926 CB ASP A 59 -5.058 15.916 0.553 1.00 0.00 C ATOM 927 CG ASP A 59 -5.893 16.625 1.617 1.00 0.00 C ATOM 928 OD1 ASP A 59 -7.127 16.427 1.709 1.00 0.00 O ATOM 929 OD2 ASP A 59 -5.301 17.395 2.410 1.00 0.00 O ATOM 0 H ASP A 59 -3.096 14.484 0.201 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.529 14.103 1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.022 16.248 0.627 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.415 16.204 -0.436 1.00 0.00 H new ATOM 934 N TYR A 60 -5.479 13.727 -1.639 1.00 0.00 N ATOM 935 CA TYR A 60 -6.120 13.059 -2.766 1.00 0.00 C ATOM 936 C TYR A 60 -6.502 11.634 -2.389 1.00 0.00 C ATOM 937 O TYR A 60 -7.663 11.250 -2.520 1.00 0.00 O ATOM 938 CB TYR A 60 -5.192 13.085 -3.983 1.00 0.00 C ATOM 939 CG TYR A 60 -5.721 12.277 -5.147 1.00 0.00 C ATOM 940 CD1 TYR A 60 -6.873 12.694 -5.840 1.00 0.00 C ATOM 941 CD2 TYR A 60 -5.096 11.058 -5.477 1.00 0.00 C ATOM 942 CE1 TYR A 60 -7.416 11.882 -6.851 1.00 0.00 C ATOM 943 CE2 TYR A 60 -5.626 10.250 -6.493 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.796 10.655 -7.172 1.00 0.00 C ATOM 945 OH TYR A 60 -7.314 9.840 -8.124 1.00 0.00 O ATOM 0 H TYR A 60 -4.565 14.114 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 60 -7.036 13.590 -3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.047 14.118 -4.301 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.214 12.700 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.339 13.637 -5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.208 10.746 -4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.304 12.196 -7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.141 9.321 -6.755 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.596 9.530 -8.715 1.00 0.00 H new ATOM 955 N LEU A 61 -5.552 10.870 -1.845 1.00 0.00 N ATOM 956 CA LEU A 61 -5.810 9.546 -1.299 1.00 0.00 C ATOM 957 C LEU A 61 -6.878 9.609 -0.200 1.00 0.00 C ATOM 958 O LEU A 61 -7.613 8.642 -0.052 1.00 0.00 O ATOM 959 CB LEU A 61 -4.522 8.939 -0.726 1.00 0.00 C ATOM 960 CG LEU A 61 -3.533 8.294 -1.711 1.00 0.00 C ATOM 961 CD1 LEU A 61 -2.175 8.064 -1.032 1.00 0.00 C ATOM 962 CD2 LEU A 61 -4.061 6.932 -2.165 1.00 0.00 C ATOM 0 H LEU A 61 -4.577 11.160 -1.773 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.173 8.915 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.993 9.724 -0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.805 8.184 0.007 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.420 8.966 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.486 7.607 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.770 9.019 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.304 7.403 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.355 6.482 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.181 6.281 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.025 7.061 -2.658 1.00 0.00 H new ATOM 974 N GLN A 62 -7.007 10.701 0.564 1.00 0.00 N ATOM 975 CA GLN A 62 -8.083 10.806 1.547 1.00 0.00 C ATOM 976 C GLN A 62 -9.444 10.873 0.883 1.00 0.00 C ATOM 977 O GLN A 62 -10.397 10.303 1.408 1.00 0.00 O ATOM 978 CB GLN A 62 -7.915 12.007 2.481 1.00 0.00 C ATOM 979 CG GLN A 62 -8.672 11.716 3.787 1.00 0.00 C ATOM 980 CD GLN A 62 -8.836 12.922 4.691 1.00 0.00 C ATOM 981 OE1 GLN A 62 -8.023 13.840 4.723 1.00 0.00 O ATOM 982 NE2 GLN A 62 -9.853 12.896 5.525 1.00 0.00 N ATOM 0 H GLN A 62 -6.388 11.511 0.520 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.021 9.898 2.147 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.859 12.183 2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.303 12.910 2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.659 11.322 3.542 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.144 10.935 4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.523 12.127 5.489 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.972 13.644 6.208 1.00 0.00 H new ATOM 991 N GLN A 63 -9.558 11.559 -0.245 1.00 0.00 N ATOM 992 CA GLN A 63 -10.806 11.525 -0.986 1.00 0.00 C ATOM 993 C GLN A 63 -11.024 10.123 -1.556 1.00 0.00 C ATOM 994 O GLN A 63 -12.108 9.560 -1.436 1.00 0.00 O ATOM 995 CB GLN A 63 -10.816 12.590 -2.086 1.00 0.00 C ATOM 996 CG GLN A 63 -12.265 13.054 -2.284 1.00 0.00 C ATOM 997 CD GLN A 63 -12.437 13.940 -3.509 1.00 0.00 C ATOM 998 OE1 GLN A 63 -12.045 13.572 -4.616 1.00 0.00 O ATOM 999 NE2 GLN A 63 -13.037 15.105 -3.370 1.00 0.00 N ATOM 0 H GLN A 63 -8.821 12.131 -0.657 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.631 11.755 -0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.181 13.431 -1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.416 12.183 -3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.912 12.182 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.592 13.599 -1.398 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.360 15.406 -2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -13.178 15.706 -4.182 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.987 9.564 -2.182 1.00 0.00 N ATOM 1009 CA LEU A 64 -10.085 8.351 -2.992 1.00 0.00 C ATOM 1010 C LEU A 64 -10.218 7.093 -2.102 1.00 0.00 C ATOM 1011 O LEU A 64 -10.774 6.104 -2.576 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.874 8.322 -3.959 1.00 0.00 C ATOM 1013 CG LEU A 64 -8.424 6.960 -4.527 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -9.407 6.464 -5.591 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -7.049 7.083 -5.195 1.00 0.00 C ATOM 0 H LEU A 64 -9.043 9.947 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.993 8.354 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.106 8.973 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.023 8.763 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.383 6.260 -3.692 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.070 5.502 -5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.396 6.350 -5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.456 7.186 -6.406 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.748 6.113 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.104 7.805 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.317 7.419 -4.461 1.00 0.00 H new ATOM 1027 N THR A 65 -9.760 7.105 -0.840 1.00 0.00 N ATOM 1028 CA THR A 65 -9.784 5.943 0.062 1.00 0.00 C ATOM 1029 C THR A 65 -10.306 6.255 1.474 1.00 0.00 C ATOM 1030 O THR A 65 -10.334 5.353 2.311 1.00 0.00 O ATOM 1031 CB THR A 65 -8.404 5.243 0.144 1.00 0.00 C ATOM 1032 OG1 THR A 65 -7.533 5.809 1.113 1.00 0.00 O ATOM 1033 CG2 THR A 65 -7.645 5.164 -1.180 1.00 0.00 C ATOM 0 H THR A 65 -9.356 7.937 -0.411 1.00 0.00 H new ATOM 0 HA THR A 65 -10.501 5.259 -0.391 1.00 0.00 H new ATOM 0 HB THR A 65 -8.681 4.233 0.444 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.408 6.762 0.924 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.692 4.658 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.237 4.606 -1.906 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.464 6.171 -1.556 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.634 7.505 1.804 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.106 7.922 3.125 1.00 0.00 C ATOM 1043 C GLY A 66 -9.964 8.198 4.104 1.00 0.00 C ATOM 1044 O GLY A 66 -10.173 8.774 5.175 1.00 0.00 O ATOM 0 H GLY A 66 -10.577 8.277 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.714 8.821 3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.751 7.146 3.537 1.00 0.00 H new ATOM 1048 N ALA A 67 -8.729 7.840 3.742 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.587 7.904 4.632 1.00 0.00 C ATOM 1050 C ALA A 67 -6.525 8.812 4.067 1.00 0.00 C ATOM 1051 O ALA A 67 -6.185 8.727 2.889 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.003 6.523 4.837 1.00 0.00 C ATOM 0 H ALA A 67 -8.501 7.495 2.810 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.926 8.301 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.146 6.586 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.758 5.870 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.684 6.117 3.877 1.00 0.00 H new ATOM 1058 N ARG A 68 -5.953 9.628 4.946 1.00 0.00 N ATOM 1059 CA ARG A 68 -4.824 10.495 4.604 1.00 0.00 C ATOM 1060 C ARG A 68 -3.525 9.903 5.119 1.00 0.00 C ATOM 1061 O ARG A 68 -2.482 10.098 4.490 1.00 0.00 O ATOM 1062 CB ARG A 68 -5.050 11.953 5.042 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.494 12.362 6.418 1.00 0.00 C ATOM 1064 CD ARG A 68 -5.141 13.673 6.900 1.00 0.00 C ATOM 1065 NE ARG A 68 -6.588 13.511 7.146 1.00 0.00 N ATOM 1066 CZ ARG A 68 -7.188 13.087 8.265 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -6.520 13.018 9.410 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -8.456 12.703 8.235 1.00 0.00 N ATOM 0 H ARG A 68 -6.257 9.709 5.916 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.745 10.539 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.607 12.606 4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.123 12.146 5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.684 11.570 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.413 12.486 6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.651 14.005 7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.984 14.452 6.154 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.205 13.751 6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.538 13.290 9.444 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.989 12.693 10.255 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.976 12.730 7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.911 12.380 9.089 1.00 0.00 H new ATOM 1082 N THR A 69 -3.576 9.181 6.235 1.00 0.00 N ATOM 1083 CA THR A 69 -2.397 8.790 6.970 1.00 0.00 C ATOM 1084 C THR A 69 -1.686 7.651 6.237 1.00 0.00 C ATOM 1085 O THR A 69 -2.314 6.692 5.781 1.00 0.00 O ATOM 1086 CB THR A 69 -2.840 8.420 8.396 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.034 7.646 8.390 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.172 9.677 9.211 1.00 0.00 C ATOM 0 H THR A 69 -4.448 8.853 6.650 1.00 0.00 H new ATOM 0 HA THR A 69 -1.671 9.600 7.040 1.00 0.00 H new ATOM 0 HB THR A 69 -2.010 7.862 8.829 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.286 7.427 9.311 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.482 9.388 10.215 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.290 10.314 9.273 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.980 10.223 8.724 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.370 7.762 6.087 1.00 0.00 N ATOM 1097 CA VAL A 70 0.491 6.785 5.425 1.00 0.00 C ATOM 1098 C VAL A 70 1.006 5.795 6.482 1.00 0.00 C ATOM 1099 O VAL A 70 0.923 6.101 7.677 1.00 0.00 O ATOM 1100 CB VAL A 70 1.624 7.480 4.632 1.00 0.00 C ATOM 1101 CG1 VAL A 70 1.179 7.718 3.183 1.00 0.00 C ATOM 1102 CG2 VAL A 70 2.045 8.844 5.204 1.00 0.00 C ATOM 0 H VAL A 70 0.148 8.568 6.437 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.075 6.224 4.681 1.00 0.00 H new ATOM 0 HB VAL A 70 2.477 6.804 4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.982 8.207 2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.945 6.763 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.293 8.353 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.843 9.265 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.190 9.520 5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.401 8.716 6.226 1.00 0.00 H new ATOM 1112 N PRO A 71 1.466 4.584 6.114 1.00 0.00 N ATOM 1113 CA PRO A 71 1.403 3.962 4.786 1.00 0.00 C ATOM 1114 C PRO A 71 -0.042 3.783 4.307 1.00 0.00 C ATOM 1115 O PRO A 71 -0.975 3.922 5.101 1.00 0.00 O ATOM 1116 CB PRO A 71 2.074 2.591 4.949 1.00 0.00 C ATOM 1117 CG PRO A 71 1.862 2.272 6.425 1.00 0.00 C ATOM 1118 CD PRO A 71 1.972 3.634 7.088 1.00 0.00 C ATOM 0 HA PRO A 71 1.896 4.587 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.617 1.840 4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.133 2.628 4.693 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.889 1.814 6.603 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.615 1.578 6.800 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.390 3.670 8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.005 3.858 7.354 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.235 3.464 3.026 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.540 3.171 2.439 1.00 0.00 C ATOM 1128 C ARG A 72 -1.391 1.953 1.544 1.00 0.00 C ATOM 1129 O ARG A 72 -0.709 2.072 0.529 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.036 4.376 1.617 1.00 0.00 C ATOM 1131 CG ARG A 72 -3.566 4.432 1.617 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.117 5.240 2.796 1.00 0.00 C ATOM 1133 NE ARG A 72 -4.233 6.668 2.452 1.00 0.00 N ATOM 1134 CZ ARG A 72 -3.309 7.627 2.585 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -2.151 7.405 3.178 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -3.549 8.847 2.143 1.00 0.00 N ATOM 0 H ARG A 72 0.530 3.401 2.354 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.270 2.974 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.632 5.299 2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.669 4.301 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.911 4.875 0.683 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.965 3.418 1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.094 4.851 3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.462 5.123 3.659 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.129 6.962 2.064 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.938 6.480 3.552 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.469 8.158 3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.441 9.062 1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.842 9.575 2.246 1.00 0.00 H new ATOM 1150 N VAL A 73 -1.948 0.802 1.909 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.856 -0.397 1.082 1.00 0.00 C ATOM 1152 C VAL A 73 -3.069 -0.451 0.160 1.00 0.00 C ATOM 1153 O VAL A 73 -4.205 -0.458 0.634 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.779 -1.659 1.962 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -1.857 -2.948 1.119 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.491 -1.676 2.798 1.00 0.00 C ATOM 0 H VAL A 73 -2.470 0.674 2.776 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.947 -0.360 0.482 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.639 -1.627 2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.799 -3.816 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.800 -2.969 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.027 -2.972 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.465 -2.579 3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.374 -1.662 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.466 -0.799 3.445 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.814 -0.565 -1.140 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.744 -1.058 -2.137 1.00 0.00 C ATOM 1168 C PHE A 74 -3.325 -2.492 -2.440 1.00 0.00 C ATOM 1169 O PHE A 74 -2.242 -2.715 -2.981 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.700 -0.228 -3.426 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.583 1.002 -3.439 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -4.166 2.186 -2.808 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -5.802 0.978 -4.141 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -4.947 3.349 -2.919 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -6.588 2.137 -4.247 1.00 0.00 C ATOM 1176 CZ PHE A 74 -6.149 3.330 -3.650 1.00 0.00 C ATOM 0 H PHE A 74 -1.913 -0.303 -1.539 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.764 -0.994 -1.758 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -2.670 0.083 -3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.987 -0.869 -4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.248 2.202 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.136 0.060 -4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.623 4.262 -2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.524 2.111 -4.784 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.734 4.232 -3.752 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.159 -3.472 -2.115 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.057 -4.791 -2.720 1.00 0.00 C ATOM 1188 C ILE A 75 -5.018 -4.729 -3.914 1.00 0.00 C ATOM 1189 O ILE A 75 -6.188 -4.414 -3.727 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.367 -5.889 -1.670 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.097 -6.582 -1.138 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.213 -7.033 -2.252 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.274 -5.838 -0.114 1.00 0.00 C ATOM 0 H ILE A 75 -4.913 -3.377 -1.435 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.060 -5.057 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 75 -4.892 -5.350 -0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.392 -7.537 -0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.454 -6.805 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.403 -7.776 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.161 -6.636 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.676 -7.499 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.413 -6.443 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.931 -4.895 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.884 -5.638 0.767 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.533 -5.002 -5.127 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.334 -5.198 -6.331 1.00 0.00 C ATOM 1207 C GLY A 76 -6.456 -4.180 -6.496 1.00 0.00 C ATOM 1208 O GLY A 76 -7.629 -4.515 -6.352 1.00 0.00 O ATOM 0 H GLY A 76 -3.532 -5.096 -5.301 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.681 -5.149 -7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.765 -6.199 -6.311 1.00 0.00 H new ATOM 1212 N LYS A 77 -6.101 -2.938 -6.832 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.980 -1.780 -6.929 1.00 0.00 C ATOM 1214 C LYS A 77 -7.964 -1.545 -5.772 1.00 0.00 C ATOM 1215 O LYS A 77 -8.792 -0.647 -5.909 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.669 -1.804 -8.309 1.00 0.00 C ATOM 1217 CG LYS A 77 -7.364 -0.515 -9.080 1.00 0.00 C ATOM 1218 CD LYS A 77 -8.219 -0.431 -10.349 1.00 0.00 C ATOM 1219 CE LYS A 77 -7.926 0.813 -11.193 1.00 0.00 C ATOM 1220 NZ LYS A 77 -8.710 2.004 -10.804 1.00 0.00 N ATOM 0 H LYS A 77 -5.134 -2.704 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.337 -0.906 -6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.325 -2.667 -8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.746 -1.914 -8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.559 0.350 -8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.307 -0.484 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.048 -1.321 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.273 -0.433 -10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.865 1.049 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.127 0.585 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.456 2.803 -11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.725 1.799 -10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.501 2.249 -9.815 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.814 -2.190 -4.616 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.582 -1.878 -3.411 1.00 0.00 C ATOM 1236 C ASP A 78 -7.656 -1.446 -2.280 1.00 0.00 C ATOM 1237 O ASP A 78 -6.760 -2.190 -1.878 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.428 -3.062 -2.949 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.315 -2.601 -1.793 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -11.228 -1.785 -2.059 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -10.145 -3.079 -0.649 1.00 0.00 O ATOM 0 H ASP A 78 -7.149 -2.952 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.254 -1.059 -3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.040 -3.434 -3.771 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.787 -3.884 -2.631 1.00 0.00 H new ATOM 1246 N CYS A 79 -7.847 -0.226 -1.781 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.209 0.223 -0.557 1.00 0.00 C ATOM 1248 C CYS A 79 -7.717 -0.602 0.620 1.00 0.00 C ATOM 1249 O CYS A 79 -8.883 -0.461 0.976 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.459 1.723 -0.365 1.00 0.00 C ATOM 1251 SG CYS A 79 -6.359 2.364 0.923 1.00 0.00 S ATOM 0 H CYS A 79 -8.448 0.473 -2.217 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.131 0.075 -0.619 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.286 2.253 -1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.499 1.896 -0.088 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.377 1.533 1.108 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.866 -1.400 1.274 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.264 -2.101 2.479 1.00 0.00 C ATOM 1259 C ILE A 80 -7.129 -1.196 3.705 1.00 0.00 C ATOM 1260 O ILE A 80 -7.681 -1.526 4.752 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.532 -3.446 2.588 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -5.006 -3.393 2.761 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -6.865 -4.328 1.376 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.590 -2.948 4.162 1.00 0.00 C ATOM 0 H ILE A 80 -5.903 -1.570 0.983 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.323 -2.352 2.427 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.906 -3.866 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.586 -4.378 2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.584 -2.708 2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.341 -5.280 1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.940 -4.508 1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.552 -3.824 0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.502 -2.928 4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.984 -1.951 4.359 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.986 -3.647 4.898 1.00 0.00 H new ATOM 1276 N GLY A 81 -6.453 -0.049 3.572 1.00 0.00 N ATOM 1277 CA GLY A 81 -6.313 0.932 4.631 1.00 0.00 C ATOM 1278 C GLY A 81 -4.847 1.225 4.923 1.00 0.00 C ATOM 1279 O GLY A 81 -3.966 1.065 4.068 1.00 0.00 O ATOM 0 H GLY A 81 -5.983 0.219 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.820 1.853 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.800 0.567 5.535 1.00 0.00 H new ATOM 1283 N GLY A 82 -4.618 1.731 6.129 1.00 0.00 N ATOM 1284 CA GLY A 82 -3.339 2.150 6.665 1.00 0.00 C ATOM 1285 C GLY A 82 -2.714 1.052 7.513 1.00 0.00 C ATOM 1286 O GLY A 82 -2.999 -0.127 7.315 1.00 0.00 O ATOM 0 H GLY A 82 -5.375 1.866 6.799 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.666 2.410 5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.471 3.049 7.268 1.00 0.00 H new ATOM 1290 N CYS A 83 -1.807 1.416 8.423 1.00 0.00 N ATOM 1291 CA CYS A 83 -0.983 0.461 9.137 1.00 0.00 C ATOM 1292 C CYS A 83 -1.838 -0.376 10.078 1.00 0.00 C ATOM 1293 O CYS A 83 -1.579 -1.567 10.203 1.00 0.00 O ATOM 1294 CB CYS A 83 0.134 1.181 9.908 1.00 0.00 C ATOM 1295 SG CYS A 83 1.634 0.152 9.944 1.00 0.00 S ATOM 0 H CYS A 83 -1.629 2.387 8.680 1.00 0.00 H new ATOM 0 HA CYS A 83 -0.517 -0.206 8.412 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.352 2.139 9.437 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -0.195 1.394 10.925 1.00 0.00 H new ATOM 0 HG CYS A 83 2.595 0.763 9.317 1.00 0.00 H new ATOM 1301 N SER A 84 -2.842 0.217 10.735 1.00 0.00 N ATOM 1302 CA SER A 84 -3.640 -0.545 11.675 1.00 0.00 C ATOM 1303 C SER A 84 -4.478 -1.567 10.923 1.00 0.00 C ATOM 1304 O SER A 84 -4.594 -2.715 11.349 1.00 0.00 O ATOM 1305 CB SER A 84 -4.534 0.349 12.544 1.00 0.00 C ATOM 1306 OG SER A 84 -5.069 -0.362 13.657 1.00 0.00 O ATOM 0 H SER A 84 -3.109 1.196 10.631 1.00 0.00 H new ATOM 0 HA SER A 84 -2.956 -1.057 12.352 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.958 1.203 12.901 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.350 0.745 11.939 1.00 0.00 H new ATOM 0 HG SER A 84 -5.632 0.239 14.189 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.098 -1.139 9.828 1.00 0.00 N ATOM 1313 CA ASP A 85 -5.962 -1.992 9.030 1.00 0.00 C ATOM 1314 C ASP A 85 -5.116 -3.100 8.420 1.00 0.00 C ATOM 1315 O ASP A 85 -5.439 -4.272 8.571 1.00 0.00 O ATOM 1316 CB ASP A 85 -6.710 -1.142 7.999 1.00 0.00 C ATOM 1317 CG ASP A 85 -7.775 -0.299 8.701 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -8.674 -0.874 9.363 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -7.628 0.943 8.716 1.00 0.00 O ATOM 0 H ASP A 85 -5.013 -0.187 9.471 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.729 -2.472 9.638 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.010 -0.495 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.176 -1.785 7.252 1.00 0.00 H new ATOM 1324 N LEU A 86 -3.953 -2.761 7.864 1.00 0.00 N ATOM 1325 CA LEU A 86 -2.975 -3.730 7.394 1.00 0.00 C ATOM 1326 C LEU A 86 -2.595 -4.737 8.482 1.00 0.00 C ATOM 1327 O LEU A 86 -2.540 -5.931 8.191 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.745 -2.982 6.868 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.630 -3.911 6.366 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -1.084 -4.770 5.179 1.00 0.00 C ATOM 1331 CD2 LEU A 86 0.587 -3.041 6.028 1.00 0.00 C ATOM 0 H LEU A 86 -3.664 -1.792 7.728 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.418 -4.311 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.051 -2.323 6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.349 -2.348 7.661 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.363 -4.625 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.263 -5.411 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.930 -5.388 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.382 -4.123 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.398 -3.674 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.317 -2.322 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.912 -2.508 6.921 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.329 -4.297 9.717 1.00 0.00 N ATOM 1344 CA VAL A 87 -2.049 -5.175 10.829 1.00 0.00 C ATOM 1345 C VAL A 87 -3.268 -6.067 11.098 1.00 0.00 C ATOM 1346 O VAL A 87 -3.051 -7.237 11.381 1.00 0.00 O ATOM 1347 CB VAL A 87 -1.626 -4.317 12.040 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -1.756 -5.068 13.362 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.164 -3.865 11.907 1.00 0.00 C ATOM 0 H VAL A 87 -2.305 -3.307 9.962 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.222 -5.850 10.609 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.300 -3.460 12.046 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.446 -4.419 14.181 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.793 -5.368 13.510 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.122 -5.954 13.341 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.111 -3.262 12.772 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.484 -4.740 11.854 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.048 -3.272 11.000 1.00 0.00 H new ATOM 1359 N SER A 88 -4.515 -5.583 11.006 1.00 0.00 N ATOM 1360 CA SER A 88 -5.693 -6.385 11.350 1.00 0.00 C ATOM 1361 C SER A 88 -5.733 -7.496 10.315 1.00 0.00 C ATOM 1362 O SER A 88 -5.780 -8.674 10.660 1.00 0.00 O ATOM 1363 CB SER A 88 -7.016 -5.640 11.139 1.00 0.00 C ATOM 1364 OG SER A 88 -7.653 -5.385 12.376 1.00 0.00 O ATOM 0 H SER A 88 -4.732 -4.636 10.695 1.00 0.00 H new ATOM 0 HA SER A 88 -5.608 -6.684 12.395 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.830 -4.700 10.620 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.674 -6.231 10.502 1.00 0.00 H new ATOM 0 HG SER A 88 -8.494 -4.908 12.218 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.725 -7.105 9.034 1.00 0.00 N ATOM 1371 CA LEU A 89 -5.811 -8.036 7.938 1.00 0.00 C ATOM 1372 C LEU A 89 -4.637 -9.022 8.037 1.00 0.00 C ATOM 1373 O LEU A 89 -4.821 -10.183 7.698 1.00 0.00 O ATOM 1374 CB LEU A 89 -5.880 -7.292 6.586 1.00 0.00 C ATOM 1375 CG LEU A 89 -7.258 -6.724 6.166 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -7.472 -5.269 6.577 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -7.417 -6.822 4.640 1.00 0.00 C ATOM 0 H LEU A 89 -5.658 -6.129 8.744 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.734 -8.612 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.169 -6.467 6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.543 -7.975 5.806 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.003 -7.326 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.458 -4.940 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.402 -5.183 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.708 -4.644 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.388 -6.421 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.627 -6.249 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.349 -7.866 4.333 1.00 0.00 H new ATOM 1389 N GLN A 90 -3.450 -8.632 8.514 1.00 0.00 N ATOM 1390 CA GLN A 90 -2.377 -9.584 8.779 1.00 0.00 C ATOM 1391 C GLN A 90 -2.760 -10.528 9.930 1.00 0.00 C ATOM 1392 O GLN A 90 -2.834 -11.736 9.720 1.00 0.00 O ATOM 1393 CB GLN A 90 -1.041 -8.857 9.024 1.00 0.00 C ATOM 1394 CG GLN A 90 0.115 -9.861 9.169 1.00 0.00 C ATOM 1395 CD GLN A 90 1.466 -9.170 9.340 1.00 0.00 C ATOM 1396 OE1 GLN A 90 1.703 -8.462 10.312 1.00 0.00 O ATOM 1397 NE2 GLN A 90 2.389 -9.367 8.412 1.00 0.00 N ATOM 0 H GLN A 90 -3.212 -7.662 8.723 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.234 -10.205 7.895 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.836 -8.178 8.197 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.114 -8.249 9.925 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.072 -10.505 10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.147 -10.504 8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.184 -9.958 7.606 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.305 -8.928 8.503 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.955 -10.016 11.147 1.00 0.00 N ATOM 1407 CA GLN A 91 -3.046 -10.795 12.372 1.00 0.00 C ATOM 1408 C GLN A 91 -4.324 -11.636 12.428 1.00 0.00 C ATOM 1409 O GLN A 91 -4.282 -12.748 12.947 1.00 0.00 O ATOM 1410 CB GLN A 91 -2.996 -9.809 13.554 1.00 0.00 C ATOM 1411 CG GLN A 91 -1.870 -10.105 14.542 1.00 0.00 C ATOM 1412 CD GLN A 91 -2.226 -11.068 15.679 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -1.868 -10.824 16.823 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -2.906 -12.177 15.428 1.00 0.00 N ATOM 0 H GLN A 91 -3.057 -9.014 11.306 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.215 -11.499 12.415 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.875 -8.797 13.168 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.949 -9.837 14.082 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.026 -10.518 13.990 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.536 -9.163 14.978 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.207 -12.386 14.476 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -3.128 -12.822 16.187 1.00 0.00 H new ATOM 1423 N SER A 92 -5.442 -11.107 11.930 1.00 0.00 N ATOM 1424 CA SER A 92 -6.710 -11.806 11.772 1.00 0.00 C ATOM 1425 C SER A 92 -6.761 -12.556 10.433 1.00 0.00 C ATOM 1426 O SER A 92 -7.755 -13.224 10.153 1.00 0.00 O ATOM 1427 CB SER A 92 -7.860 -10.792 11.877 1.00 0.00 C ATOM 1428 OG SER A 92 -9.098 -11.454 12.038 1.00 0.00 O ATOM 0 H SER A 92 -5.487 -10.138 11.613 1.00 0.00 H new ATOM 0 HA SER A 92 -6.811 -12.548 12.564 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.687 -10.125 12.721 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.888 -10.172 10.981 1.00 0.00 H new ATOM 0 HG SER A 92 -9.054 -12.338 11.617 1.00 0.00 H new ATOM 1434 N GLY A 93 -5.723 -12.448 9.601 1.00 0.00 N ATOM 1435 CA GLY A 93 -5.519 -13.279 8.433 1.00 0.00 C ATOM 1436 C GLY A 93 -6.292 -12.839 7.197 1.00 0.00 C ATOM 1437 O GLY A 93 -6.125 -13.496 6.166 1.00 0.00 O ATOM 0 H GLY A 93 -4.985 -11.757 9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.456 -13.292 8.194 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.803 -14.302 8.678 1.00 0.00 H new ATOM 1441 N GLU A 94 -7.100 -11.761 7.224 1.00 0.00 N ATOM 1442 CA GLU A 94 -7.902 -11.447 6.044 1.00 0.00 C ATOM 1443 C GLU A 94 -7.009 -11.113 4.839 1.00 0.00 C ATOM 1444 O GLU A 94 -7.349 -11.433 3.697 1.00 0.00 O ATOM 1445 CB GLU A 94 -8.870 -10.312 6.379 1.00 0.00 C ATOM 1446 CG GLU A 94 -9.765 -9.930 5.189 1.00 0.00 C ATOM 1447 CD GLU A 94 -10.698 -8.759 5.490 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -10.871 -8.370 6.664 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -11.292 -8.206 4.536 1.00 0.00 O ATOM 0 H GLU A 94 -7.208 -11.125 8.014 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.486 -12.322 5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.497 -10.610 7.220 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.303 -9.438 6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -9.136 -9.675 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.361 -10.795 4.898 1.00 0.00 H new ATOM 1456 N LEU A 95 -5.834 -10.528 5.095 1.00 0.00 N ATOM 1457 CA LEU A 95 -4.885 -10.085 4.085 1.00 0.00 C ATOM 1458 C LEU A 95 -4.480 -11.236 3.187 1.00 0.00 C ATOM 1459 O LEU A 95 -4.237 -11.010 2.009 1.00 0.00 O ATOM 1460 CB LEU A 95 -3.602 -9.526 4.730 1.00 0.00 C ATOM 1461 CG LEU A 95 -2.797 -8.583 3.825 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -3.519 -7.256 3.549 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -1.475 -8.294 4.537 1.00 0.00 C ATOM 0 H LEU A 95 -5.513 -10.347 6.046 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.382 -9.306 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.871 -8.993 5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.965 -10.360 5.024 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.654 -9.067 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.900 -6.632 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.471 -7.455 3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.699 -6.737 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.871 -7.625 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.675 -7.824 5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.935 -9.228 4.695 1.00 0.00 H new ATOM 1475 N LEU A 96 -4.363 -12.449 3.734 1.00 0.00 N ATOM 1476 CA LEU A 96 -3.847 -13.579 2.981 1.00 0.00 C ATOM 1477 C LEU A 96 -4.842 -13.959 1.892 1.00 0.00 C ATOM 1478 O LEU A 96 -4.444 -14.135 0.742 1.00 0.00 O ATOM 1479 CB LEU A 96 -3.500 -14.735 3.926 1.00 0.00 C ATOM 1480 CG LEU A 96 -2.389 -15.619 3.323 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -1.491 -16.141 4.439 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -2.922 -16.796 2.500 1.00 0.00 C ATOM 0 H LEU A 96 -4.621 -12.667 4.697 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.916 -13.310 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.174 -14.339 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.389 -15.337 4.113 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.826 -14.988 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.706 -16.766 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.040 -15.300 4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.084 -16.731 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.085 -17.374 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.538 -17.434 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.523 -16.419 1.672 1.00 0.00 H new ATOM 1494 N THR A 97 -6.132 -14.005 2.220 1.00 0.00 N ATOM 1495 CA THR A 97 -7.196 -14.164 1.242 1.00 0.00 C ATOM 1496 C THR A 97 -7.167 -12.980 0.272 1.00 0.00 C ATOM 1497 O THR A 97 -7.054 -13.192 -0.936 1.00 0.00 O ATOM 1498 CB THR A 97 -8.538 -14.290 1.986 1.00 0.00 C ATOM 1499 OG1 THR A 97 -8.411 -15.257 3.012 1.00 0.00 O ATOM 1500 CG2 THR A 97 -9.678 -14.713 1.058 1.00 0.00 C ATOM 0 H THR A 97 -6.466 -13.932 3.181 1.00 0.00 H new ATOM 0 HA THR A 97 -7.059 -15.070 0.651 1.00 0.00 H new ATOM 0 HB THR A 97 -8.780 -13.309 2.394 1.00 0.00 H new ATOM 0 HG1 THR A 97 -9.262 -15.340 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.603 -14.788 1.629 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.798 -13.972 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.446 -15.681 0.614 1.00 0.00 H new ATOM 1508 N ARG A 98 -7.212 -11.741 0.785 1.00 0.00 N ATOM 1509 CA ARG A 98 -7.271 -10.512 -0.014 1.00 0.00 C ATOM 1510 C ARG A 98 -6.146 -10.475 -1.050 1.00 0.00 C ATOM 1511 O ARG A 98 -6.373 -10.059 -2.181 1.00 0.00 O ATOM 1512 CB ARG A 98 -7.252 -9.284 0.930 1.00 0.00 C ATOM 1513 CG ARG A 98 -8.345 -8.241 0.645 1.00 0.00 C ATOM 1514 CD ARG A 98 -7.947 -7.192 -0.399 1.00 0.00 C ATOM 1515 NE ARG A 98 -9.040 -6.228 -0.636 1.00 0.00 N ATOM 1516 CZ ARG A 98 -10.105 -6.392 -1.430 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -10.168 -7.400 -2.291 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -11.107 -5.529 -1.365 1.00 0.00 N ATOM 0 H ARG A 98 -7.208 -11.564 1.790 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.203 -10.487 -0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.358 -9.631 1.958 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.278 -8.800 0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.244 -8.755 0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.601 -7.734 1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.057 -6.660 -0.062 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.687 -7.687 -1.334 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.976 -5.339 -0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.397 -8.065 -2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.987 -7.510 -2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.064 -4.746 -0.713 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.922 -5.647 -1.967 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.941 -10.908 -0.679 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.799 -11.085 -1.552 1.00 0.00 C ATOM 1534 C LEU A 99 -3.976 -12.248 -2.508 1.00 0.00 C ATOM 1535 O LEU A 99 -3.793 -12.048 -3.703 1.00 0.00 O ATOM 1536 CB LEU A 99 -2.556 -11.337 -0.683 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.956 -10.087 -0.037 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -1.026 -10.506 1.104 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -1.176 -9.300 -1.093 1.00 0.00 C ATOM 0 H LEU A 99 -4.733 -11.155 0.289 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.691 -10.182 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.818 -12.044 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.792 -11.813 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.749 -9.456 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.596 -9.618 1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.593 -11.066 1.848 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.226 -11.133 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.746 -8.408 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.377 -9.923 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.849 -9.008 -1.899 1.00 0.00 H new ATOM 1551 N LYS A 100 -4.207 -13.482 -2.047 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.147 -14.607 -2.991 1.00 0.00 C ATOM 1553 C LYS A 100 -5.252 -14.534 -4.031 1.00 0.00 C ATOM 1554 O LYS A 100 -5.034 -14.975 -5.156 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.141 -15.978 -2.309 1.00 0.00 C ATOM 1556 CG LYS A 100 -2.939 -16.768 -2.869 1.00 0.00 C ATOM 1557 CD LYS A 100 -2.986 -18.256 -2.448 1.00 0.00 C ATOM 1558 CE LYS A 100 -1.708 -19.105 -2.648 1.00 0.00 C ATOM 1559 NZ LYS A 100 -1.315 -19.354 -4.053 1.00 0.00 N ATOM 0 H LYS A 100 -4.426 -13.723 -1.080 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.187 -14.504 -3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.058 -15.868 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.073 -16.508 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.932 -16.698 -3.957 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.011 -16.319 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.253 -18.297 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.795 -18.734 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.881 -18.608 -2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.852 -20.066 -2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.591 -20.100 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.148 -19.656 -4.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.929 -18.481 -4.466 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.364 -13.896 -3.678 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.415 -13.460 -4.583 1.00 0.00 C ATOM 1575 C GLN A 101 -6.836 -12.785 -5.836 1.00 0.00 C ATOM 1576 O GLN A 101 -7.388 -12.983 -6.919 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.321 -12.506 -3.795 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.550 -11.964 -4.529 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.106 -10.770 -3.764 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -9.947 -9.625 -4.186 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -10.720 -10.996 -2.616 1.00 0.00 N ATOM 0 H GLN A 101 -6.563 -13.659 -2.706 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.987 -14.315 -4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.661 -13.023 -2.897 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.719 -11.659 -3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.281 -11.668 -5.543 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.309 -12.741 -4.615 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -10.842 -11.952 -2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -11.072 -10.214 -2.063 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.741 -12.016 -5.725 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.140 -11.283 -6.844 1.00 0.00 C ATOM 1592 C ILE A 102 -3.878 -11.976 -7.395 1.00 0.00 C ATOM 1593 O ILE A 102 -3.132 -11.363 -8.159 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.968 -9.783 -6.494 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.770 -9.459 -5.586 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -6.219 -9.236 -5.804 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.776 -8.494 -6.230 1.00 0.00 C ATOM 0 H ILE A 102 -5.244 -11.886 -4.844 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.833 -11.308 -7.685 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.791 -9.310 -7.460 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.134 -9.028 -4.653 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.255 -10.385 -5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.073 -8.182 -5.569 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.077 -9.344 -6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.399 -9.792 -4.884 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.954 -8.305 -5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.386 -8.933 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.279 -7.555 -6.462 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.633 -13.244 -7.040 1.00 0.00 N ATOM 1610 CA GLY A 103 -2.535 -14.042 -7.585 1.00 0.00 C ATOM 1611 C GLY A 103 -1.189 -13.678 -6.961 1.00 0.00 C ATOM 1612 O GLY A 103 -0.188 -13.565 -7.669 1.00 0.00 O ATOM 0 H GLY A 103 -4.200 -13.747 -6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.738 -15.099 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.484 -13.897 -8.664 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.169 -13.449 -5.644 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.039 -12.928 -4.901 1.00 0.00 C ATOM 1618 C ALA A 104 0.669 -14.046 -4.187 1.00 0.00 C ATOM 1619 O ALA A 104 1.735 -14.398 -4.661 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.591 -11.938 -3.886 1.00 0.00 C ATOM 0 H ALA A 104 -1.978 -13.632 -5.051 1.00 0.00 H new ATOM 0 HA ALA A 104 0.675 -12.447 -5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.229 -11.520 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.112 -11.135 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.286 -12.449 -3.220 1.00 0.00 H new ATOM 1626 N LEU A 105 0.184 -14.565 -3.047 1.00 0.00 N ATOM 1627 CA LEU A 105 0.913 -15.627 -2.421 1.00 0.00 C ATOM 1628 C LEU A 105 0.954 -16.743 -3.441 1.00 0.00 C ATOM 1629 O LEU A 105 -0.039 -16.980 -4.139 1.00 0.00 O ATOM 1630 CB LEU A 105 0.342 -16.105 -1.094 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.031 -15.117 0.018 1.00 0.00 C ATOM 1632 CD1 LEU A 105 0.958 -13.962 0.151 1.00 0.00 C ATOM 1633 CD2 LEU A 105 -1.445 -14.579 -0.160 1.00 0.00 C ATOM 0 H LEU A 105 -0.671 -14.270 -2.575 1.00 0.00 H new ATOM 0 HA LEU A 105 1.904 -15.268 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.556 -16.678 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.065 -16.802 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 105 0.015 -15.689 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.637 -13.299 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.949 -14.356 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.995 -13.405 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.673 -13.882 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.520 -14.063 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.155 -15.406 -0.137 1.00 0.00 H new ATOM 1645 N GLN A 106 2.136 -17.309 -3.575 1.00 0.00 N ATOM 1646 CA GLN A 106 2.481 -18.140 -4.705 1.00 0.00 C ATOM 1647 C GLN A 106 1.623 -19.398 -4.644 1.00 0.00 C ATOM 1648 O GLN A 106 0.964 -19.693 -5.658 1.00 0.00 O ATOM 1649 CB GLN A 106 4.005 -18.316 -4.696 1.00 0.00 C ATOM 1650 CG GLN A 106 4.571 -18.750 -6.053 1.00 0.00 C ATOM 1651 CD GLN A 106 6.077 -18.482 -6.119 1.00 0.00 C ATOM 1652 OE1 GLN A 106 6.529 -17.469 -6.650 1.00 0.00 O ATOM 1653 NE2 GLN A 106 6.888 -19.366 -5.559 1.00 0.00 N ATOM 1654 OXT GLN A 106 1.371 -19.910 -3.531 1.00 0.00 O ATOM 0 H GLN A 106 2.889 -17.203 -2.895 1.00 0.00 H new ATOM 0 HA GLN A 106 2.255 -17.710 -5.681 1.00 0.00 H new ATOM 0 HB2 GLN A 106 4.471 -17.376 -4.399 1.00 0.00 H new ATOM 0 HB3 GLN A 106 4.274 -19.057 -3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.378 -19.811 -6.211 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.065 -18.211 -6.854 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.505 -20.204 -5.121 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.896 -19.209 -5.566 1.00 0.00 H new TER 1663 GLN A 106