USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 59 ASN : amide:sc= -7.94! C(o=-7.8!,f=-11!) USER MOD Set 1.2: A 111 THR OG1 : rot 35:sc= 0.156 USER MOD Set 2.1: A 49 GLN : amide:sc= -2.13 K(o=-2.1,f=-9!) USER MOD Set 2.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 22 GLN :FLIP amide:sc= -7.24! C(o=-14!,f=-7.9!) USER MOD Set 3.2: A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0396) USER MOD Set 3.3: A 44 LYS NZ :NH3+ -125:sc= -0.623 (180deg=-0.681) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -137:sc= -0.272 (180deg=-2.13!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.61! USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= -0.108 (180deg=-0.936) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0453 F(o=-1.5,f=-0.045) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 63:sc= 0.0172 USER MOD Single : A 37 ASN : amide:sc= -5.88! C(o=-5.9!,f=-9.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 61:sc= -7.27! USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0783 USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0.00513 (180deg=0.00301) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : A 53 GLN : amide:sc= -14! C(o=-14!,f=-18!) USER MOD Single : A 58 THR OG1 : rot -24:sc= 0.416 USER MOD Single : A 60 TYR OH : rot 180:sc= -2.55! USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0775 USER MOD Single : A 92 ASN : amide:sc= -2.43 K(o=-2.4,f=-4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -2.07 USER MOD Single : A 95 MET CE :methyl -136:sc= -9.07! (180deg=-13!) USER MOD Single : A 96 HIS :FLIP no HD1:sc= -17.8! C(o=-19!,f=-18!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105AASN : amide:sc= -0.298 K(o=-0.3,f=-2.3) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -10.7! C(o=-11!,f=-15!) USER MOD Single : A 116 LYS NZ :NH3+ -176:sc= -6.77! (180deg=-7.17!) USER MOD Single : A 117 ASN : amide:sc= -3.97! C(o=-4!,f=-3.9!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.957! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 -18.103 -2.988 -0.488 1.00 0.00 N ATOM 2 CA MET A 6 -17.544 -4.302 -0.061 1.00 0.00 C ATOM 3 C MET A 6 -17.419 -4.333 1.465 1.00 0.00 C ATOM 4 O MET A 6 -17.716 -3.368 2.141 1.00 0.00 O ATOM 5 CB MET A 6 -16.162 -4.497 -0.690 1.00 0.00 C ATOM 6 CG MET A 6 -16.235 -5.592 -1.758 1.00 0.00 C ATOM 7 SD MET A 6 -14.680 -6.519 -1.779 1.00 0.00 S ATOM 8 CE MET A 6 -15.329 -8.028 -2.536 1.00 0.00 C ATOM 0 HA MET A 6 -18.208 -5.102 -0.387 1.00 0.00 H new ATOM 0 HB2 MET A 6 -15.818 -3.563 -1.135 1.00 0.00 H new ATOM 0 HB3 MET A 6 -15.437 -4.770 0.077 1.00 0.00 H new ATOM 0 HG2 MET A 6 -17.068 -6.263 -1.550 1.00 0.00 H new ATOM 0 HG3 MET A 6 -16.420 -5.149 -2.737 1.00 0.00 H new ATOM 0 HE1 MET A 6 -14.524 -8.755 -2.647 1.00 0.00 H new ATOM 0 HE2 MET A 6 -16.111 -8.446 -1.902 1.00 0.00 H new ATOM 0 HE3 MET A 6 -15.744 -7.794 -3.516 1.00 0.00 H new ATOM 20 N ILE A 7 -16.982 -5.435 2.010 1.00 0.00 N ATOM 21 CA ILE A 7 -16.833 -5.534 3.490 1.00 0.00 C ATOM 22 C ILE A 7 -16.207 -4.242 4.027 1.00 0.00 C ATOM 23 O ILE A 7 -15.607 -3.494 3.282 1.00 0.00 O ATOM 24 CB ILE A 7 -15.924 -6.721 3.817 1.00 0.00 C ATOM 25 CG1 ILE A 7 -14.518 -6.441 3.285 1.00 0.00 C ATOM 26 CG2 ILE A 7 -16.476 -7.985 3.156 1.00 0.00 C ATOM 27 CD1 ILE A 7 -13.543 -6.316 4.457 1.00 0.00 C ATOM 0 H ILE A 7 -16.721 -6.274 1.492 1.00 0.00 H new ATOM 0 HA ILE A 7 -17.809 -5.679 3.954 1.00 0.00 H new ATOM 0 HB ILE A 7 -15.886 -6.865 4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -14.203 -7.245 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.516 -5.523 2.698 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -15.828 -8.830 3.389 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -17.480 -8.183 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -16.514 -7.844 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -12.541 -6.116 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -13.855 -5.497 5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -13.537 -7.246 5.026 1.00 0.00 H new ATOM 39 N PRO A 8 -16.363 -4.019 5.310 1.00 0.00 N ATOM 40 CA PRO A 8 -15.817 -2.823 5.977 1.00 0.00 C ATOM 41 C PRO A 8 -14.302 -2.958 6.172 1.00 0.00 C ATOM 42 O PRO A 8 -13.738 -4.020 6.007 1.00 0.00 O ATOM 43 CB PRO A 8 -16.555 -2.792 7.320 1.00 0.00 C ATOM 44 CG PRO A 8 -17.050 -4.234 7.580 1.00 0.00 C ATOM 45 CD PRO A 8 -17.092 -4.937 6.210 1.00 0.00 C ATOM 0 HA PRO A 8 -15.959 -1.907 5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -15.893 -2.459 8.119 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.392 -2.094 7.287 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.381 -4.756 8.263 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.037 -4.228 8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.616 -5.917 6.250 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.117 -5.094 5.874 1.00 0.00 H new ATOM 53 N GLY A 9 -13.640 -1.882 6.509 1.00 0.00 N ATOM 54 CA GLY A 9 -12.162 -1.945 6.699 1.00 0.00 C ATOM 55 C GLY A 9 -11.817 -1.902 8.189 1.00 0.00 C ATOM 56 O GLY A 9 -11.567 -2.918 8.808 1.00 0.00 O ATOM 0 H GLY A 9 -14.059 -0.964 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.770 -2.859 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.686 -1.110 6.184 1.00 0.00 H new ATOM 60 N GLY A 10 -11.783 -0.732 8.765 1.00 0.00 N ATOM 61 CA GLY A 10 -11.432 -0.620 10.210 1.00 0.00 C ATOM 62 C GLY A 10 -10.028 -1.173 10.422 1.00 0.00 C ATOM 63 O GLY A 10 -9.778 -2.352 10.267 1.00 0.00 O ATOM 0 H GLY A 10 -11.983 0.152 8.298 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.479 0.421 10.530 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.150 -1.172 10.816 1.00 0.00 H new ATOM 67 N LEU A 11 -9.111 -0.322 10.753 1.00 0.00 N ATOM 68 CA LEU A 11 -7.708 -0.766 10.955 1.00 0.00 C ATOM 69 C LEU A 11 -7.656 -2.037 11.779 1.00 0.00 C ATOM 70 O LEU A 11 -7.648 -2.025 12.994 1.00 0.00 O ATOM 71 CB LEU A 11 -6.912 0.346 11.616 1.00 0.00 C ATOM 72 CG LEU A 11 -6.512 1.298 10.506 1.00 0.00 C ATOM 73 CD1 LEU A 11 -7.049 2.700 10.797 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.992 1.348 10.380 1.00 0.00 C ATOM 0 H LEU A 11 -9.272 0.675 10.895 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.263 -0.988 9.985 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.510 0.857 12.370 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.033 -0.053 12.122 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.937 0.939 9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.756 3.376 9.994 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.136 2.666 10.864 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.638 3.058 11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.716 2.035 9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.560 1.693 11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.613 0.352 10.150 1.00 0.00 H new ATOM 86 N SER A 12 -7.602 -3.134 11.095 1.00 0.00 N ATOM 87 CA SER A 12 -7.530 -4.456 11.776 1.00 0.00 C ATOM 88 C SER A 12 -6.088 -4.960 11.731 1.00 0.00 C ATOM 89 O SER A 12 -5.221 -4.321 11.176 1.00 0.00 O ATOM 90 CB SER A 12 -8.439 -5.452 11.055 1.00 0.00 C ATOM 91 OG SER A 12 -9.380 -5.984 11.979 1.00 0.00 O ATOM 0 H SER A 12 -7.604 -3.178 10.076 1.00 0.00 H new ATOM 0 HA SER A 12 -7.855 -4.355 12.812 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.958 -4.959 10.233 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.845 -6.256 10.620 1.00 0.00 H new ATOM 0 HG SER A 12 -9.965 -6.622 11.519 1.00 0.00 H new ATOM 97 N GLU A 13 -5.823 -6.100 12.305 1.00 0.00 N ATOM 98 CA GLU A 13 -4.449 -6.639 12.286 1.00 0.00 C ATOM 99 C GLU A 13 -3.934 -6.654 10.843 1.00 0.00 C ATOM 100 O GLU A 13 -4.698 -6.538 9.906 1.00 0.00 O ATOM 101 CB GLU A 13 -4.424 -8.069 12.848 1.00 0.00 C ATOM 102 CG GLU A 13 -5.837 -8.621 13.060 1.00 0.00 C ATOM 103 CD GLU A 13 -5.758 -10.114 13.387 1.00 0.00 C ATOM 104 OE1 GLU A 13 -4.980 -10.800 12.746 1.00 0.00 O ATOM 105 OE2 GLU A 13 -6.477 -10.545 14.274 1.00 0.00 O ATOM 0 H GLU A 13 -6.509 -6.680 12.788 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.813 -6.007 12.905 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.879 -8.719 12.164 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.884 -8.078 13.795 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.330 -8.086 13.871 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.438 -8.465 12.164 1.00 0.00 H new ATOM 112 N ALA A 14 -2.648 -6.788 10.655 1.00 0.00 N ATOM 113 CA ALA A 14 -2.100 -6.803 9.270 1.00 0.00 C ATOM 114 C ALA A 14 -2.440 -8.103 8.569 1.00 0.00 C ATOM 115 O ALA A 14 -1.830 -9.124 8.820 1.00 0.00 O ATOM 116 CB ALA A 14 -0.574 -6.709 9.286 1.00 0.00 C ATOM 0 H ALA A 14 -1.957 -6.887 11.398 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.540 -5.951 8.752 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.198 -6.722 8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.272 -5.781 9.772 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.163 -7.557 9.834 1.00 0.00 H new ATOM 122 N LYS A 15 -3.333 -8.078 7.633 1.00 0.00 N ATOM 123 CA LYS A 15 -3.583 -9.321 6.883 1.00 0.00 C ATOM 124 C LYS A 15 -2.353 -9.456 6.003 1.00 0.00 C ATOM 125 O LYS A 15 -1.858 -8.463 5.511 1.00 0.00 O ATOM 126 CB LYS A 15 -4.849 -9.196 6.029 1.00 0.00 C ATOM 127 CG LYS A 15 -5.947 -10.126 6.568 1.00 0.00 C ATOM 128 CD LYS A 15 -6.004 -10.067 8.100 1.00 0.00 C ATOM 129 CE LYS A 15 -6.038 -8.612 8.571 1.00 0.00 C ATOM 130 NZ LYS A 15 -7.374 -8.314 9.160 1.00 0.00 N ATOM 0 H LYS A 15 -3.890 -7.268 7.360 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.741 -10.184 7.530 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.201 -8.164 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.624 -9.449 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.912 -9.837 6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.755 -11.149 6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.888 -10.594 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.137 -10.574 8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.256 -8.439 9.310 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.840 -7.942 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.699 -7.383 8.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.054 -9.043 8.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.303 -8.308 10.198 1.00 0.00 H new ATOM 144 N PRO A 16 -1.847 -10.635 5.853 1.00 0.00 N ATOM 145 CA PRO A 16 -0.629 -10.819 5.067 1.00 0.00 C ATOM 146 C PRO A 16 -0.908 -10.479 3.601 1.00 0.00 C ATOM 147 O PRO A 16 -1.856 -10.953 3.008 1.00 0.00 O ATOM 148 CB PRO A 16 -0.269 -12.291 5.291 1.00 0.00 C ATOM 149 CG PRO A 16 -1.572 -12.983 5.756 1.00 0.00 C ATOM 150 CD PRO A 16 -2.436 -11.874 6.390 1.00 0.00 C ATOM 0 HA PRO A 16 0.198 -10.170 5.357 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.108 -12.744 4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.515 -12.391 6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.088 -13.448 4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.359 -13.773 6.477 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.485 -11.974 6.112 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.390 -11.902 7.479 1.00 0.00 H new ATOM 158 N ALA A 17 -0.108 -9.618 3.033 1.00 0.00 N ATOM 159 CA ALA A 17 -0.333 -9.187 1.626 1.00 0.00 C ATOM 160 C ALA A 17 -0.653 -10.361 0.706 1.00 0.00 C ATOM 161 O ALA A 17 0.047 -11.353 0.659 1.00 0.00 O ATOM 162 CB ALA A 17 0.912 -8.483 1.098 1.00 0.00 C ATOM 0 H ALA A 17 0.699 -9.192 3.489 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.189 -8.512 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.743 -8.169 0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.124 -7.609 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.760 -9.167 1.135 1.00 0.00 H new ATOM 168 N THR A 18 -1.688 -10.207 -0.067 1.00 0.00 N ATOM 169 CA THR A 18 -2.070 -11.244 -1.059 1.00 0.00 C ATOM 170 C THR A 18 -1.589 -10.707 -2.407 1.00 0.00 C ATOM 171 O THR A 18 -0.942 -9.683 -2.432 1.00 0.00 O ATOM 172 CB THR A 18 -3.602 -11.424 -1.060 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.157 -10.800 -2.197 1.00 0.00 O ATOM 174 CG2 THR A 18 -4.215 -10.779 0.173 1.00 0.00 C ATOM 0 H THR A 18 -2.297 -9.389 -0.052 1.00 0.00 H new ATOM 0 HA THR A 18 -1.631 -12.216 -0.835 1.00 0.00 H new ATOM 0 HB THR A 18 -3.816 -12.493 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.130 -10.919 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.296 -10.916 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.805 -11.244 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.984 -9.714 0.179 1.00 0.00 H new ATOM 182 N PRO A 19 -1.905 -11.355 -3.494 1.00 0.00 N ATOM 183 CA PRO A 19 -1.479 -10.845 -4.806 1.00 0.00 C ATOM 184 C PRO A 19 -2.229 -9.543 -5.122 1.00 0.00 C ATOM 185 O PRO A 19 -1.784 -8.727 -5.909 1.00 0.00 O ATOM 186 CB PRO A 19 -1.820 -11.986 -5.770 1.00 0.00 C ATOM 187 CG PRO A 19 -2.885 -12.851 -5.058 1.00 0.00 C ATOM 188 CD PRO A 19 -2.694 -12.611 -3.549 1.00 0.00 C ATOM 0 HA PRO A 19 -0.422 -10.588 -4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.202 -11.597 -6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.933 -12.575 -6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.890 -12.569 -5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.758 -13.905 -5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.650 -12.507 -3.035 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.165 -13.438 -3.075 1.00 0.00 H new ATOM 196 N GLU A 20 -3.344 -9.321 -4.481 1.00 0.00 N ATOM 197 CA GLU A 20 -4.100 -8.064 -4.723 1.00 0.00 C ATOM 198 C GLU A 20 -3.477 -6.943 -3.892 1.00 0.00 C ATOM 199 O GLU A 20 -3.309 -5.833 -4.355 1.00 0.00 O ATOM 200 CB GLU A 20 -5.562 -8.255 -4.317 1.00 0.00 C ATOM 201 CG GLU A 20 -6.458 -8.056 -5.540 1.00 0.00 C ATOM 202 CD GLU A 20 -7.917 -8.281 -5.145 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.158 -8.572 -3.985 1.00 0.00 O ATOM 204 OE2 GLU A 20 -8.771 -8.158 -6.008 1.00 0.00 O ATOM 0 H GLU A 20 -3.762 -9.956 -3.801 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.057 -7.806 -5.781 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.709 -9.253 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.830 -7.543 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.329 -7.050 -5.939 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.173 -8.751 -6.330 1.00 0.00 H new ATOM 211 N ILE A 21 -3.115 -7.229 -2.672 1.00 0.00 N ATOM 212 CA ILE A 21 -2.483 -6.182 -1.823 1.00 0.00 C ATOM 213 C ILE A 21 -1.179 -5.781 -2.508 1.00 0.00 C ATOM 214 O ILE A 21 -0.899 -4.613 -2.712 1.00 0.00 O ATOM 215 CB ILE A 21 -2.224 -6.751 -0.415 1.00 0.00 C ATOM 216 CG1 ILE A 21 -3.550 -7.128 0.294 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.503 -5.705 0.449 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.763 -7.037 -0.645 1.00 0.00 C ATOM 0 H ILE A 21 -3.229 -8.140 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.127 -5.310 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.610 -7.644 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.473 -8.142 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.704 -6.467 1.147 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.324 -6.115 1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.551 -5.445 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.122 -4.812 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.666 -7.311 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.859 -6.017 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.625 -7.718 -1.485 1.00 0.00 H new ATOM 230 N GLN A 22 -0.401 -6.749 -2.911 1.00 0.00 N ATOM 231 CA GLN A 22 0.860 -6.436 -3.635 1.00 0.00 C ATOM 232 C GLN A 22 0.483 -5.837 -4.998 1.00 0.00 C ATOM 233 O GLN A 22 1.289 -5.220 -5.660 1.00 0.00 O ATOM 234 CB GLN A 22 1.711 -7.716 -3.782 1.00 0.00 C ATOM 235 CG GLN A 22 2.152 -7.939 -5.236 1.00 0.00 C ATOM 236 CD GLN A 22 3.217 -6.908 -5.642 1.00 0.00 C ATOM 237 OE1 GLN A 22 3.547 -5.940 -4.825 1.00 0.00 O flip ATOM 238 NE2 GLN A 22 3.761 -6.988 -6.726 1.00 0.00 N flip ATOM 0 H GLN A 22 -0.586 -7.742 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 22 1.463 -5.714 -3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.590 -7.644 -3.142 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.136 -8.577 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.551 -8.947 -5.350 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.291 -7.861 -5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.510 -7.739 -7.369 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.469 -6.304 -6.993 1.00 0.00 H new ATOM 247 N GLU A 23 -0.746 -5.999 -5.418 1.00 0.00 N ATOM 248 CA GLU A 23 -1.158 -5.402 -6.719 1.00 0.00 C ATOM 249 C GLU A 23 -1.379 -3.899 -6.511 1.00 0.00 C ATOM 250 O GLU A 23 -1.161 -3.103 -7.397 1.00 0.00 O ATOM 251 CB GLU A 23 -2.452 -6.059 -7.210 1.00 0.00 C ATOM 252 CG GLU A 23 -2.319 -6.402 -8.694 1.00 0.00 C ATOM 253 CD GLU A 23 -3.583 -7.127 -9.159 1.00 0.00 C ATOM 254 OE1 GLU A 23 -4.662 -6.635 -8.874 1.00 0.00 O ATOM 255 OE2 GLU A 23 -3.451 -8.162 -9.791 1.00 0.00 O ATOM 0 H GLU A 23 -1.473 -6.513 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.383 -5.566 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.655 -6.962 -6.634 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.295 -5.386 -7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.171 -5.493 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.444 -7.031 -8.857 1.00 0.00 H new ATOM 262 N ILE A 24 -1.777 -3.516 -5.327 1.00 0.00 N ATOM 263 CA ILE A 24 -1.983 -2.068 -5.009 1.00 0.00 C ATOM 264 C ILE A 24 -0.620 -1.396 -4.949 1.00 0.00 C ATOM 265 O ILE A 24 -0.380 -0.381 -5.570 1.00 0.00 O ATOM 266 CB ILE A 24 -2.656 -1.962 -3.641 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.130 -2.352 -3.760 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.546 -0.531 -3.138 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.452 -3.429 -2.722 1.00 0.00 C ATOM 0 H ILE A 24 -1.971 -4.153 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.605 -1.590 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.163 -2.635 -2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.763 -1.479 -3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.340 -2.723 -4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.025 -0.451 -2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.495 -0.256 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.039 0.141 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.502 -3.710 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.827 -4.304 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.257 -3.041 -1.722 1.00 0.00 H new ATOM 281 N VAL A 25 0.270 -1.973 -4.209 1.00 0.00 N ATOM 282 CA VAL A 25 1.629 -1.413 -4.086 1.00 0.00 C ATOM 283 C VAL A 25 2.284 -1.403 -5.455 1.00 0.00 C ATOM 284 O VAL A 25 2.887 -0.436 -5.872 1.00 0.00 O ATOM 285 CB VAL A 25 2.397 -2.321 -3.166 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.408 -3.692 -3.766 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.821 -1.851 -3.019 1.00 0.00 C ATOM 0 H VAL A 25 0.109 -2.826 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 25 1.607 -0.395 -3.697 1.00 0.00 H new ATOM 0 HB VAL A 25 1.923 -2.321 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.961 -4.370 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.384 -4.049 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.887 -3.657 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.358 -2.522 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.306 -1.848 -3.995 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.830 -0.842 -2.606 1.00 0.00 H new ATOM 297 N ASP A 26 2.136 -2.476 -6.161 1.00 0.00 N ATOM 298 CA ASP A 26 2.708 -2.556 -7.528 1.00 0.00 C ATOM 299 C ASP A 26 1.865 -1.661 -8.419 1.00 0.00 C ATOM 300 O ASP A 26 2.285 -1.220 -9.469 1.00 0.00 O ATOM 301 CB ASP A 26 2.648 -3.998 -8.035 1.00 0.00 C ATOM 302 CG ASP A 26 3.786 -4.232 -9.029 1.00 0.00 C ATOM 303 OD1 ASP A 26 4.827 -3.618 -8.862 1.00 0.00 O ATOM 304 OD2 ASP A 26 3.597 -5.020 -9.941 1.00 0.00 O ATOM 0 H ASP A 26 1.639 -3.311 -5.851 1.00 0.00 H new ATOM 0 HA ASP A 26 3.750 -2.238 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.731 -4.693 -7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.687 -4.188 -8.513 1.00 0.00 H new ATOM 309 N LYS A 27 0.672 -1.375 -7.978 1.00 0.00 N ATOM 310 CA LYS A 27 -0.222 -0.484 -8.770 1.00 0.00 C ATOM 311 C LYS A 27 0.187 0.966 -8.511 1.00 0.00 C ATOM 312 O LYS A 27 -0.234 1.878 -9.193 1.00 0.00 O ATOM 313 CB LYS A 27 -1.678 -0.683 -8.333 1.00 0.00 C ATOM 314 CG LYS A 27 -2.387 -1.621 -9.313 1.00 0.00 C ATOM 315 CD LYS A 27 -3.732 -1.011 -9.710 1.00 0.00 C ATOM 316 CE LYS A 27 -4.863 -1.942 -9.272 1.00 0.00 C ATOM 317 NZ LYS A 27 -4.675 -3.283 -9.896 1.00 0.00 N ATOM 0 H LYS A 27 0.277 -1.720 -7.103 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.134 -0.721 -9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.712 -1.100 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.192 0.278 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.769 -1.776 -10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.539 -2.598 -8.855 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.851 -0.033 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.770 -0.858 -10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.873 -2.033 -8.186 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.826 -1.524 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.604 -3.702 -10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.134 -3.183 -10.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.156 -3.901 -9.240 1.00 0.00 H new ATOM 331 N VAL A 28 0.999 1.179 -7.511 1.00 0.00 N ATOM 332 CA VAL A 28 1.435 2.560 -7.173 1.00 0.00 C ATOM 333 C VAL A 28 2.953 2.700 -7.368 1.00 0.00 C ATOM 334 O VAL A 28 3.490 3.789 -7.341 1.00 0.00 O ATOM 335 CB VAL A 28 1.068 2.820 -5.721 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.457 2.728 -5.557 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.744 1.756 -4.862 1.00 0.00 C ATOM 0 H VAL A 28 1.381 0.448 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 28 0.944 3.283 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 28 1.397 3.813 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.723 2.914 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.937 3.472 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.795 1.732 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.495 1.922 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.396 0.769 -5.165 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.825 1.816 -4.992 1.00 0.00 H new ATOM 347 N LYS A 29 3.651 1.605 -7.568 1.00 0.00 N ATOM 348 CA LYS A 29 5.128 1.676 -7.778 1.00 0.00 C ATOM 349 C LYS A 29 5.491 2.884 -8.658 1.00 0.00 C ATOM 350 O LYS A 29 6.361 3.653 -8.295 1.00 0.00 O ATOM 351 CB LYS A 29 5.612 0.390 -8.456 1.00 0.00 C ATOM 352 CG LYS A 29 7.044 0.082 -8.015 1.00 0.00 C ATOM 353 CD LYS A 29 7.714 -0.831 -9.046 1.00 0.00 C ATOM 354 CE LYS A 29 6.939 -2.148 -9.148 1.00 0.00 C ATOM 355 NZ LYS A 29 7.795 -3.179 -9.800 1.00 0.00 N ATOM 0 H LYS A 29 3.257 0.665 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 29 5.613 1.788 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.955 -0.439 -8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.571 0.501 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.610 1.008 -7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.039 -0.399 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.743 -0.339 -10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.747 -1.027 -8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.639 -2.484 -8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.025 -2.001 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.309 -4.098 -9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.976 -2.906 -10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.698 -3.253 -9.290 1.00 0.00 H new ATOM 369 N PRO A 30 4.826 3.037 -9.787 1.00 0.00 N ATOM 370 CA PRO A 30 5.095 4.168 -10.695 1.00 0.00 C ATOM 371 C PRO A 30 4.616 5.468 -10.057 1.00 0.00 C ATOM 372 O PRO A 30 5.243 6.501 -10.187 1.00 0.00 O ATOM 373 CB PRO A 30 4.320 3.816 -11.970 1.00 0.00 C ATOM 374 CG PRO A 30 3.240 2.795 -11.554 1.00 0.00 C ATOM 375 CD PRO A 30 3.748 2.131 -10.259 1.00 0.00 C ATOM 0 HA PRO A 30 6.153 4.320 -10.908 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.866 4.705 -12.407 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.984 3.394 -12.724 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.282 3.288 -11.388 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.085 2.052 -12.337 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.952 2.039 -9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.126 1.126 -10.448 1.00 0.00 H new ATOM 383 N GLN A 31 3.536 5.422 -9.331 1.00 0.00 N ATOM 384 CA GLN A 31 3.059 6.653 -8.648 1.00 0.00 C ATOM 385 C GLN A 31 3.984 6.935 -7.462 1.00 0.00 C ATOM 386 O GLN A 31 3.859 7.933 -6.782 1.00 0.00 O ATOM 387 CB GLN A 31 1.629 6.445 -8.139 1.00 0.00 C ATOM 388 CG GLN A 31 0.656 6.435 -9.321 1.00 0.00 C ATOM 389 CD GLN A 31 -0.769 6.207 -8.810 1.00 0.00 C ATOM 390 OE1 GLN A 31 -0.972 5.362 -7.836 1.00 0.00 O flip ATOM 391 NE2 GLN A 31 -1.707 6.801 -9.302 1.00 0.00 N flip ATOM 0 H GLN A 31 2.966 4.590 -9.182 1.00 0.00 H new ATOM 0 HA GLN A 31 3.068 7.491 -9.345 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.561 5.505 -7.592 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.362 7.240 -7.442 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.713 7.381 -9.860 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.931 5.650 -10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.550 7.462 -10.063 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.652 6.639 -8.954 1.00 0.00 H new ATOM 400 N LEU A 32 4.908 6.046 -7.213 1.00 0.00 N ATOM 401 CA LEU A 32 5.849 6.224 -6.079 1.00 0.00 C ATOM 402 C LEU A 32 7.160 6.835 -6.577 1.00 0.00 C ATOM 403 O LEU A 32 7.727 7.712 -5.961 1.00 0.00 O ATOM 404 CB LEU A 32 6.125 4.859 -5.475 1.00 0.00 C ATOM 405 CG LEU A 32 5.048 4.567 -4.443 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.896 3.064 -4.294 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.449 5.185 -3.108 1.00 0.00 C ATOM 0 H LEU A 32 5.049 5.195 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 32 5.413 6.891 -5.335 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.125 4.093 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.111 4.842 -5.010 1.00 0.00 H new ATOM 0 HG LEU A 32 4.098 4.995 -4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.125 2.848 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.612 2.630 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.842 2.633 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.679 4.978 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.396 4.757 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.560 6.263 -3.225 1.00 0.00 H new ATOM 419 N GLU A 33 7.652 6.361 -7.684 1.00 0.00 N ATOM 420 CA GLU A 33 8.941 6.891 -8.225 1.00 0.00 C ATOM 421 C GLU A 33 8.813 8.378 -8.574 1.00 0.00 C ATOM 422 O GLU A 33 9.786 9.105 -8.574 1.00 0.00 O ATOM 423 CB GLU A 33 9.323 6.114 -9.489 1.00 0.00 C ATOM 424 CG GLU A 33 9.315 4.614 -9.193 1.00 0.00 C ATOM 425 CD GLU A 33 10.588 3.977 -9.752 1.00 0.00 C ATOM 426 OE1 GLU A 33 11.533 4.708 -10.002 1.00 0.00 O ATOM 427 OE2 GLU A 33 10.596 2.770 -9.924 1.00 0.00 O ATOM 0 H GLU A 33 7.219 5.626 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 33 9.710 6.771 -7.462 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.622 6.340 -10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.311 6.422 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.253 4.445 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.436 4.149 -9.640 1.00 0.00 H new ATOM 434 N GLU A 34 7.634 8.835 -8.893 1.00 0.00 N ATOM 435 CA GLU A 34 7.480 10.274 -9.264 1.00 0.00 C ATOM 436 C GLU A 34 6.938 11.089 -8.083 1.00 0.00 C ATOM 437 O GLU A 34 7.427 12.160 -7.782 1.00 0.00 O ATOM 438 CB GLU A 34 6.512 10.390 -10.444 1.00 0.00 C ATOM 439 CG GLU A 34 7.134 11.264 -11.534 1.00 0.00 C ATOM 440 CD GLU A 34 6.837 10.660 -12.908 1.00 0.00 C ATOM 441 OE1 GLU A 34 5.796 10.041 -13.048 1.00 0.00 O ATOM 442 OE2 GLU A 34 7.655 10.827 -13.798 1.00 0.00 O ATOM 0 H GLU A 34 6.777 8.283 -8.914 1.00 0.00 H new ATOM 0 HA GLU A 34 8.458 10.669 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.287 9.400 -10.842 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.568 10.822 -10.112 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.733 12.276 -11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.211 11.339 -11.384 1.00 0.00 H new ATOM 449 N LYS A 35 5.917 10.609 -7.428 1.00 0.00 N ATOM 450 CA LYS A 35 5.333 11.378 -6.290 1.00 0.00 C ATOM 451 C LYS A 35 6.312 11.438 -5.112 1.00 0.00 C ATOM 452 O LYS A 35 6.354 12.413 -4.387 1.00 0.00 O ATOM 453 CB LYS A 35 4.033 10.709 -5.842 1.00 0.00 C ATOM 454 CG LYS A 35 2.988 10.848 -6.949 1.00 0.00 C ATOM 455 CD LYS A 35 1.614 10.440 -6.413 1.00 0.00 C ATOM 456 CE LYS A 35 0.543 10.794 -7.445 1.00 0.00 C ATOM 457 NZ LYS A 35 -0.662 9.944 -7.223 1.00 0.00 N ATOM 0 H LYS A 35 5.462 9.719 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 35 5.133 12.396 -6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.209 9.656 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.671 11.170 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.959 11.877 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.259 10.222 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.595 9.370 -6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.412 10.951 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.278 11.848 -7.363 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.929 10.640 -8.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.391 10.185 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.403 8.942 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.034 10.112 -6.266 1.00 0.00 H new ATOM 471 N THR A 36 7.087 10.412 -4.899 1.00 0.00 N ATOM 472 CA THR A 36 8.037 10.426 -3.763 1.00 0.00 C ATOM 473 C THR A 36 9.400 10.948 -4.240 1.00 0.00 C ATOM 474 O THR A 36 10.087 11.629 -3.512 1.00 0.00 O ATOM 475 CB THR A 36 8.170 9.002 -3.222 1.00 0.00 C ATOM 476 OG1 THR A 36 7.039 8.699 -2.416 1.00 0.00 O ATOM 477 CG2 THR A 36 9.435 8.885 -2.386 1.00 0.00 C ATOM 0 H THR A 36 7.100 9.564 -5.466 1.00 0.00 H new ATOM 0 HA THR A 36 7.673 11.082 -2.972 1.00 0.00 H new ATOM 0 HB THR A 36 8.226 8.302 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.228 8.727 -2.966 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.525 7.869 -2.003 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.302 9.118 -3.004 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.386 9.584 -1.551 1.00 0.00 H new ATOM 485 N ASN A 37 9.779 10.626 -5.456 1.00 0.00 N ATOM 486 CA ASN A 37 11.090 11.090 -6.019 1.00 0.00 C ATOM 487 C ASN A 37 12.182 10.052 -5.731 1.00 0.00 C ATOM 488 O ASN A 37 13.348 10.377 -5.627 1.00 0.00 O ATOM 489 CB ASN A 37 11.478 12.468 -5.436 1.00 0.00 C ATOM 490 CG ASN A 37 12.418 12.321 -4.228 1.00 0.00 C ATOM 491 OD1 ASN A 37 12.386 11.325 -3.532 1.00 0.00 O ATOM 492 ND2 ASN A 37 13.257 13.282 -3.948 1.00 0.00 N ATOM 0 H ASN A 37 9.226 10.052 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 37 10.988 11.199 -7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.964 13.067 -6.206 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.578 13.004 -5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.883 13.195 -3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.286 14.119 -4.530 1.00 0.00 H new ATOM 499 N GLU A 38 11.817 8.804 -5.612 1.00 0.00 N ATOM 500 CA GLU A 38 12.839 7.753 -5.341 1.00 0.00 C ATOM 501 C GLU A 38 12.908 6.794 -6.530 1.00 0.00 C ATOM 502 O GLU A 38 12.258 6.992 -7.538 1.00 0.00 O ATOM 503 CB GLU A 38 12.460 6.977 -4.079 1.00 0.00 C ATOM 504 CG GLU A 38 13.303 7.473 -2.903 1.00 0.00 C ATOM 505 CD GLU A 38 13.439 6.357 -1.867 1.00 0.00 C ATOM 506 OE1 GLU A 38 13.934 5.301 -2.224 1.00 0.00 O ATOM 507 OE2 GLU A 38 13.044 6.576 -0.733 1.00 0.00 O ATOM 0 H GLU A 38 10.857 8.467 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 38 13.811 8.223 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.400 7.110 -3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.623 5.910 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.288 7.781 -3.253 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.837 8.348 -2.451 1.00 0.00 H new ATOM 514 N THR A 39 13.698 5.763 -6.426 1.00 0.00 N ATOM 515 CA THR A 39 13.814 4.799 -7.557 1.00 0.00 C ATOM 516 C THR A 39 12.932 3.585 -7.293 1.00 0.00 C ATOM 517 O THR A 39 12.544 2.872 -8.197 1.00 0.00 O ATOM 518 CB THR A 39 15.272 4.362 -7.710 1.00 0.00 C ATOM 519 OG1 THR A 39 16.056 5.472 -8.124 1.00 0.00 O ATOM 520 CG2 THR A 39 15.371 3.250 -8.754 1.00 0.00 C ATOM 0 H THR A 39 14.268 5.545 -5.609 1.00 0.00 H new ATOM 0 HA THR A 39 13.486 5.281 -8.478 1.00 0.00 H new ATOM 0 HB THR A 39 15.640 3.991 -6.754 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.991 5.194 -8.221 1.00 0.00 H new ATOM 0 HG21 THR A 39 16.411 2.942 -8.860 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.771 2.398 -8.436 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.002 3.616 -9.712 1.00 0.00 H new ATOM 528 N TYR A 40 12.597 3.376 -6.062 1.00 0.00 N ATOM 529 CA TYR A 40 11.720 2.234 -5.687 1.00 0.00 C ATOM 530 C TYR A 40 12.065 0.986 -6.501 1.00 0.00 C ATOM 531 O TYR A 40 13.083 0.909 -7.161 1.00 0.00 O ATOM 532 CB TYR A 40 10.275 2.632 -5.951 1.00 0.00 C ATOM 533 CG TYR A 40 9.689 3.255 -4.708 1.00 0.00 C ATOM 534 CD1 TYR A 40 10.355 4.310 -4.071 1.00 0.00 C ATOM 535 CD2 TYR A 40 8.477 2.784 -4.197 1.00 0.00 C ATOM 536 CE1 TYR A 40 9.809 4.889 -2.924 1.00 0.00 C ATOM 537 CE2 TYR A 40 7.931 3.362 -3.050 1.00 0.00 C ATOM 538 CZ TYR A 40 8.596 4.416 -2.412 1.00 0.00 C ATOM 539 OH TYR A 40 8.055 4.986 -1.277 1.00 0.00 O ATOM 0 H TYR A 40 12.897 3.957 -5.279 1.00 0.00 H new ATOM 0 HA TYR A 40 11.868 2.000 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.227 3.337 -6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.693 1.757 -6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.291 4.675 -4.467 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.962 1.972 -4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.323 5.702 -2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.995 2.996 -2.654 1.00 0.00 H new ATOM 0 HH TYR A 40 7.874 5.935 -1.442 1.00 0.00 H new ATOM 549 N GLY A 43 11.216 0.000 -6.443 1.00 0.00 N ATOM 550 CA GLY A 43 11.463 -1.263 -7.198 1.00 0.00 C ATOM 551 C GLY A 43 10.322 -2.244 -6.921 1.00 0.00 C ATOM 552 O GLY A 43 9.212 -1.849 -6.623 1.00 0.00 O ATOM 0 H GLY A 43 10.353 0.013 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.529 -1.056 -8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.416 -1.700 -6.898 1.00 0.00 H new ATOM 556 N LYS A 44 10.585 -3.519 -7.004 1.00 0.00 N ATOM 557 CA LYS A 44 9.516 -4.517 -6.731 1.00 0.00 C ATOM 558 C LYS A 44 9.047 -4.348 -5.291 1.00 0.00 C ATOM 559 O LYS A 44 9.843 -4.298 -4.375 1.00 0.00 O ATOM 560 CB LYS A 44 10.075 -5.927 -6.914 1.00 0.00 C ATOM 561 CG LYS A 44 9.570 -6.512 -8.235 1.00 0.00 C ATOM 562 CD LYS A 44 8.650 -7.702 -7.950 1.00 0.00 C ATOM 563 CE LYS A 44 7.387 -7.215 -7.236 1.00 0.00 C ATOM 564 NZ LYS A 44 6.621 -6.312 -8.140 1.00 0.00 N ATOM 0 H LYS A 44 11.494 -3.912 -7.249 1.00 0.00 H new ATOM 0 HA LYS A 44 8.684 -4.366 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.165 -5.901 -6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.768 -6.562 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.032 -5.751 -8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.412 -6.829 -8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.384 -8.200 -8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.169 -8.436 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.770 -8.065 -6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.655 -6.688 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.458 -5.401 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.163 -6.154 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.707 -6.749 -8.374 1.00 0.00 H new ATOM 578 N LEU A 45 7.768 -4.248 -5.073 1.00 0.00 N ATOM 579 CA LEU A 45 7.284 -4.073 -3.691 1.00 0.00 C ATOM 580 C LEU A 45 6.553 -5.337 -3.257 1.00 0.00 C ATOM 581 O LEU A 45 5.346 -5.423 -3.318 1.00 0.00 O ATOM 582 CB LEU A 45 6.368 -2.862 -3.664 1.00 0.00 C ATOM 583 CG LEU A 45 7.091 -1.721 -4.377 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.190 -0.480 -4.431 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.391 -1.421 -3.613 1.00 0.00 C ATOM 0 H LEU A 45 7.045 -4.280 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 45 8.109 -3.908 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.423 -3.085 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.132 -2.583 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 45 7.328 -2.005 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.714 0.328 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.275 -0.718 -4.973 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.940 -0.167 -3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.924 -0.608 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.153 -1.131 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.020 -2.311 -3.601 1.00 0.00 H new ATOM 597 N GLU A 46 7.292 -6.328 -2.833 1.00 0.00 N ATOM 598 CA GLU A 46 6.663 -7.607 -2.412 1.00 0.00 C ATOM 599 C GLU A 46 5.803 -7.386 -1.174 1.00 0.00 C ATOM 600 O GLU A 46 6.239 -7.576 -0.057 1.00 0.00 O ATOM 601 CB GLU A 46 7.756 -8.625 -2.104 1.00 0.00 C ATOM 602 CG GLU A 46 7.528 -9.868 -2.959 1.00 0.00 C ATOM 603 CD GLU A 46 8.557 -9.911 -4.089 1.00 0.00 C ATOM 604 OE1 GLU A 46 9.734 -10.025 -3.790 1.00 0.00 O ATOM 605 OE2 GLU A 46 8.150 -9.831 -5.236 1.00 0.00 O ATOM 0 H GLU A 46 8.309 -6.303 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 46 6.029 -7.979 -3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.737 -8.199 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.740 -8.887 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.611 -10.764 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.520 -9.857 -3.372 1.00 0.00 H new ATOM 612 N ALA A 47 4.578 -6.989 -1.366 1.00 0.00 N ATOM 613 CA ALA A 47 3.684 -6.755 -0.205 1.00 0.00 C ATOM 614 C ALA A 47 3.833 -7.891 0.802 1.00 0.00 C ATOM 615 O ALA A 47 3.705 -9.057 0.484 1.00 0.00 O ATOM 616 CB ALA A 47 2.244 -6.651 -0.685 1.00 0.00 C ATOM 0 H ALA A 47 4.158 -6.817 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 47 3.960 -5.821 0.285 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.588 -6.479 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.153 -5.821 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.958 -7.578 -1.182 1.00 0.00 H new ATOM 622 N VAL A 48 4.114 -7.534 2.015 1.00 0.00 N ATOM 623 CA VAL A 48 4.295 -8.534 3.098 1.00 0.00 C ATOM 624 C VAL A 48 3.044 -8.540 3.964 1.00 0.00 C ATOM 625 O VAL A 48 2.526 -9.575 4.331 1.00 0.00 O ATOM 626 CB VAL A 48 5.517 -8.111 3.930 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.336 -8.494 5.405 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.767 -8.791 3.378 1.00 0.00 C ATOM 0 H VAL A 48 4.229 -6.565 2.312 1.00 0.00 H new ATOM 0 HA VAL A 48 4.453 -9.534 2.695 1.00 0.00 H new ATOM 0 HB VAL A 48 5.622 -7.028 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.214 -8.184 5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.452 -7.997 5.804 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.213 -9.574 5.488 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.634 -8.492 3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.647 -9.873 3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.914 -8.494 2.339 1.00 0.00 H new ATOM 638 N GLN A 49 2.566 -7.380 4.295 1.00 0.00 N ATOM 639 CA GLN A 49 1.345 -7.297 5.141 1.00 0.00 C ATOM 640 C GLN A 49 0.501 -6.125 4.666 1.00 0.00 C ATOM 641 O GLN A 49 0.915 -5.360 3.822 1.00 0.00 O ATOM 642 CB GLN A 49 1.747 -7.075 6.602 1.00 0.00 C ATOM 643 CG GLN A 49 1.935 -8.428 7.290 1.00 0.00 C ATOM 644 CD GLN A 49 3.091 -8.336 8.290 1.00 0.00 C ATOM 645 OE1 GLN A 49 4.238 -8.502 7.926 1.00 0.00 O ATOM 646 NE2 GLN A 49 2.834 -8.080 9.544 1.00 0.00 N ATOM 0 H GLN A 49 2.966 -6.483 4.018 1.00 0.00 H new ATOM 0 HA GLN A 49 0.776 -8.223 5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.670 -6.498 6.653 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.981 -6.496 7.117 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.018 -8.717 7.803 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.142 -9.199 6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.871 -7.941 9.849 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.596 -8.019 10.219 1.00 0.00 H new ATOM 655 N TYR A 50 -0.680 -5.969 5.186 1.00 0.00 N ATOM 656 CA TYR A 50 -1.509 -4.837 4.742 1.00 0.00 C ATOM 657 C TYR A 50 -2.729 -4.684 5.637 1.00 0.00 C ATOM 658 O TYR A 50 -3.356 -5.646 6.039 1.00 0.00 O ATOM 659 CB TYR A 50 -1.950 -5.065 3.326 1.00 0.00 C ATOM 660 CG TYR A 50 -3.025 -6.123 3.275 1.00 0.00 C ATOM 661 CD1 TYR A 50 -2.674 -7.474 3.204 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.374 -5.750 3.291 1.00 0.00 C ATOM 663 CE1 TYR A 50 -3.671 -8.454 3.147 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.372 -6.728 3.236 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.021 -8.082 3.163 1.00 0.00 C ATOM 666 OH TYR A 50 -6.005 -9.048 3.107 1.00 0.00 O ATOM 0 H TYR A 50 -1.099 -6.574 5.893 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.916 -3.924 4.801 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.326 -4.134 2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.099 -5.372 2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.633 -7.762 3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.644 -4.706 3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.399 -9.498 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.413 -6.440 3.250 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.886 -8.619 3.129 1.00 0.00 H new ATOM 676 N LYS A 51 -3.068 -3.476 5.940 1.00 0.00 N ATOM 677 CA LYS A 51 -4.256 -3.220 6.802 1.00 0.00 C ATOM 678 C LYS A 51 -5.246 -2.321 6.044 1.00 0.00 C ATOM 679 O LYS A 51 -4.882 -1.292 5.517 1.00 0.00 O ATOM 680 CB LYS A 51 -3.794 -2.539 8.093 1.00 0.00 C ATOM 681 CG LYS A 51 -2.458 -3.150 8.534 1.00 0.00 C ATOM 682 CD LYS A 51 -2.534 -3.557 10.006 1.00 0.00 C ATOM 683 CE LYS A 51 -2.536 -2.304 10.883 1.00 0.00 C ATOM 684 NZ LYS A 51 -2.661 -2.700 12.314 1.00 0.00 N ATOM 0 H LYS A 51 -2.573 -2.640 5.628 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.753 -4.157 7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.682 -1.467 7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.543 -2.668 8.875 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.225 -4.019 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.653 -2.430 8.388 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.436 -4.141 10.186 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.686 -4.192 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.617 -1.738 10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.362 -1.651 10.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.765 -1.849 12.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.496 -3.308 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.809 -3.221 12.606 1.00 0.00 H new ATOM 698 N THR A 52 -6.493 -2.712 5.977 1.00 0.00 N ATOM 699 CA THR A 52 -7.510 -1.891 5.242 1.00 0.00 C ATOM 700 C THR A 52 -8.361 -1.096 6.236 1.00 0.00 C ATOM 701 O THR A 52 -8.765 -1.599 7.266 1.00 0.00 O ATOM 702 CB THR A 52 -8.428 -2.822 4.451 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.577 -4.046 5.154 1.00 0.00 O ATOM 704 CG2 THR A 52 -7.822 -3.090 3.072 1.00 0.00 C ATOM 0 H THR A 52 -6.854 -3.567 6.400 1.00 0.00 H new ATOM 0 HA THR A 52 -6.994 -1.204 4.572 1.00 0.00 H new ATOM 0 HB THR A 52 -9.404 -2.353 4.329 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.167 -4.644 4.649 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.478 -3.754 2.509 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.711 -2.148 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.845 -3.559 3.189 1.00 0.00 H new ATOM 712 N GLN A 53 -8.665 0.132 5.918 1.00 0.00 N ATOM 713 CA GLN A 53 -9.523 0.950 6.821 1.00 0.00 C ATOM 714 C GLN A 53 -10.594 1.632 5.970 1.00 0.00 C ATOM 715 O GLN A 53 -10.454 1.754 4.770 1.00 0.00 O ATOM 716 CB GLN A 53 -8.696 1.998 7.587 1.00 0.00 C ATOM 717 CG GLN A 53 -7.616 2.612 6.694 1.00 0.00 C ATOM 718 CD GLN A 53 -6.521 1.583 6.413 1.00 0.00 C ATOM 719 OE1 GLN A 53 -5.879 1.094 7.320 1.00 0.00 O ATOM 720 NE2 GLN A 53 -6.285 1.235 5.181 1.00 0.00 N ATOM 0 H GLN A 53 -8.355 0.606 5.069 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.985 0.302 7.566 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.354 2.783 7.959 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.231 1.533 8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.057 2.951 5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.187 3.489 7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.827 1.648 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.559 0.549 4.975 1.00 0.00 H new ATOM 729 N VAL A 54 -11.681 2.037 6.562 1.00 0.00 N ATOM 730 CA VAL A 54 -12.767 2.661 5.756 1.00 0.00 C ATOM 731 C VAL A 54 -12.699 4.194 5.799 1.00 0.00 C ATOM 732 O VAL A 54 -12.182 4.789 6.723 1.00 0.00 O ATOM 733 CB VAL A 54 -14.110 2.187 6.298 1.00 0.00 C ATOM 734 CG1 VAL A 54 -14.418 2.940 7.580 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.207 2.456 5.266 1.00 0.00 C ATOM 0 H VAL A 54 -11.865 1.964 7.563 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.646 2.359 4.716 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.068 1.117 6.500 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.378 2.608 7.976 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.636 2.745 8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.462 4.009 7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.166 2.116 5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.258 3.525 5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.980 1.919 4.345 1.00 0.00 H new ATOM 745 N VAL A 55 -13.249 4.820 4.791 1.00 0.00 N ATOM 746 CA VAL A 55 -13.280 6.312 4.702 1.00 0.00 C ATOM 747 C VAL A 55 -14.358 6.670 3.670 1.00 0.00 C ATOM 748 O VAL A 55 -15.539 6.586 3.942 1.00 0.00 O ATOM 749 CB VAL A 55 -11.916 6.847 4.235 1.00 0.00 C ATOM 750 CG1 VAL A 55 -11.040 7.178 5.444 1.00 0.00 C ATOM 751 CG2 VAL A 55 -11.215 5.791 3.377 1.00 0.00 C ATOM 0 H VAL A 55 -13.691 4.346 4.003 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.498 6.754 5.674 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.074 7.751 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.076 7.556 5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -11.532 7.936 6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.886 6.278 6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.249 6.173 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.066 4.885 3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.830 5.562 2.507 1.00 0.00 H new ATOM 761 N ALA A 56 -13.965 7.001 2.466 1.00 0.00 N ATOM 762 CA ALA A 56 -14.964 7.285 1.403 1.00 0.00 C ATOM 763 C ALA A 56 -15.035 6.029 0.536 1.00 0.00 C ATOM 764 O ALA A 56 -15.309 6.068 -0.646 1.00 0.00 O ATOM 765 CB ALA A 56 -14.499 8.470 0.562 1.00 0.00 C ATOM 0 H ALA A 56 -12.991 7.086 2.177 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.938 7.533 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.234 8.675 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.391 9.348 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.539 8.235 0.102 1.00 0.00 H new ATOM 771 N GLY A 57 -14.745 4.919 1.152 1.00 0.00 N ATOM 772 CA GLY A 57 -14.724 3.604 0.457 1.00 0.00 C ATOM 773 C GLY A 57 -13.817 2.702 1.275 1.00 0.00 C ATOM 774 O GLY A 57 -14.172 2.239 2.341 1.00 0.00 O ATOM 0 H GLY A 57 -14.514 4.869 2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.728 3.185 0.387 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.351 3.709 -0.562 1.00 0.00 H new ATOM 778 N THR A 58 -12.631 2.493 0.808 1.00 0.00 N ATOM 779 CA THR A 58 -11.662 1.666 1.585 1.00 0.00 C ATOM 780 C THR A 58 -10.244 1.942 1.105 1.00 0.00 C ATOM 781 O THR A 58 -9.923 1.763 -0.051 1.00 0.00 O ATOM 782 CB THR A 58 -11.948 0.175 1.427 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.323 -0.076 1.679 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.079 -0.601 2.428 1.00 0.00 C ATOM 0 H THR A 58 -12.281 2.856 -0.079 1.00 0.00 H new ATOM 0 HA THR A 58 -11.768 1.936 2.636 1.00 0.00 H new ATOM 0 HB THR A 58 -11.714 -0.146 0.412 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.685 0.632 2.251 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.273 -1.669 2.327 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.026 -0.402 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.320 -0.283 3.442 1.00 0.00 H new ATOM 792 N ASN A 59 -9.386 2.356 1.992 1.00 0.00 N ATOM 793 CA ASN A 59 -7.992 2.620 1.609 1.00 0.00 C ATOM 794 C ASN A 59 -7.222 1.311 1.674 1.00 0.00 C ATOM 795 O ASN A 59 -7.787 0.238 1.753 1.00 0.00 O ATOM 796 CB ASN A 59 -7.400 3.599 2.611 1.00 0.00 C ATOM 797 CG ASN A 59 -7.538 5.032 2.094 1.00 0.00 C ATOM 798 OD1 ASN A 59 -7.064 5.353 1.022 1.00 0.00 O ATOM 799 ND2 ASN A 59 -8.170 5.914 2.822 1.00 0.00 N ATOM 0 H ASN A 59 -9.603 2.522 2.975 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.937 3.035 0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.908 3.500 3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.349 3.366 2.781 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.266 6.874 2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.567 5.643 3.721 1.00 0.00 H new ATOM 806 N TYR A 60 -5.938 1.404 1.663 1.00 0.00 N ATOM 807 CA TYR A 60 -5.089 0.187 1.751 1.00 0.00 C ATOM 808 C TYR A 60 -3.803 0.564 2.450 1.00 0.00 C ATOM 809 O TYR A 60 -3.143 1.502 2.080 1.00 0.00 O ATOM 810 CB TYR A 60 -4.711 -0.338 0.370 1.00 0.00 C ATOM 811 CG TYR A 60 -5.936 -0.582 -0.473 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.701 0.494 -0.923 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.293 -1.890 -0.817 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.826 0.268 -1.716 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.419 -2.120 -1.613 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.189 -1.040 -2.062 1.00 0.00 C ATOM 817 OH TYR A 60 -9.302 -1.266 -2.846 1.00 0.00 O ATOM 0 H TYR A 60 -5.424 2.282 1.596 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.649 -0.581 2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.060 0.379 -0.129 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.146 -1.264 0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.422 1.503 -0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.699 -2.722 -0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.418 1.102 -2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.695 -3.129 -1.881 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.409 -2.229 -2.992 1.00 0.00 H new ATOM 827 N TYR A 61 -3.422 -0.193 3.414 1.00 0.00 N ATOM 828 CA TYR A 61 -2.146 0.065 4.130 1.00 0.00 C ATOM 829 C TYR A 61 -1.308 -1.152 3.820 1.00 0.00 C ATOM 830 O TYR A 61 -1.810 -2.255 3.829 1.00 0.00 O ATOM 831 CB TYR A 61 -2.366 0.165 5.653 1.00 0.00 C ATOM 832 CG TYR A 61 -3.108 1.438 6.044 1.00 0.00 C ATOM 833 CD1 TYR A 61 -3.652 2.292 5.074 1.00 0.00 C ATOM 834 CD2 TYR A 61 -3.256 1.754 7.402 1.00 0.00 C ATOM 835 CE1 TYR A 61 -4.339 3.450 5.460 1.00 0.00 C ATOM 836 CE2 TYR A 61 -3.945 2.913 7.785 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.488 3.759 6.814 1.00 0.00 C ATOM 838 OH TYR A 61 -5.165 4.901 7.192 1.00 0.00 O ATOM 0 H TYR A 61 -3.945 -1.001 3.752 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.688 1.005 3.822 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.931 -0.702 5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.402 0.138 6.160 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.541 2.056 4.026 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.838 1.103 8.155 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.754 4.105 4.709 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.056 3.153 8.832 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.178 4.965 8.170 1.00 0.00 H new ATOM 848 N ILE A 62 -0.075 -1.015 3.469 1.00 0.00 N ATOM 849 CA ILE A 62 0.655 -2.247 3.104 1.00 0.00 C ATOM 850 C ILE A 62 2.136 -2.123 3.409 1.00 0.00 C ATOM 851 O ILE A 62 2.803 -1.207 2.970 1.00 0.00 O ATOM 852 CB ILE A 62 0.474 -2.511 1.605 1.00 0.00 C ATOM 853 CG1 ILE A 62 -1.015 -2.542 1.225 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.094 -3.867 1.270 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.183 -2.147 -0.239 1.00 0.00 C ATOM 0 H ILE A 62 0.447 -0.140 3.418 1.00 0.00 H new ATOM 0 HA ILE A 62 0.251 -3.071 3.692 1.00 0.00 H new ATOM 0 HB ILE A 62 0.959 -1.710 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.421 -3.540 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.577 -1.859 1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.973 -4.069 0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.155 -3.853 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.596 -4.647 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.240 -2.171 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.793 -1.141 -0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.636 -2.847 -0.870 1.00 0.00 H new ATOM 867 N LYS A 63 2.663 -3.075 4.117 1.00 0.00 N ATOM 868 CA LYS A 63 4.111 -3.061 4.409 1.00 0.00 C ATOM 869 C LYS A 63 4.750 -3.939 3.342 1.00 0.00 C ATOM 870 O LYS A 63 4.823 -5.143 3.485 1.00 0.00 O ATOM 871 CB LYS A 63 4.356 -3.641 5.809 1.00 0.00 C ATOM 872 CG LYS A 63 5.839 -3.974 5.997 1.00 0.00 C ATOM 873 CD LYS A 63 5.982 -5.158 6.956 1.00 0.00 C ATOM 874 CE LYS A 63 5.761 -4.680 8.393 1.00 0.00 C ATOM 875 NZ LYS A 63 6.095 -5.780 9.341 1.00 0.00 N ATOM 0 H LYS A 63 2.148 -3.865 4.507 1.00 0.00 H new ATOM 0 HA LYS A 63 4.529 -2.055 4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.039 -2.925 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.755 -4.539 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.293 -4.215 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.369 -3.107 6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.259 -5.933 6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.973 -5.602 6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.383 -3.809 8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.725 -4.371 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.945 -5.455 10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.484 -6.600 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.090 -6.055 9.217 1.00 0.00 H new ATOM 889 N VAL A 64 5.148 -3.351 2.245 1.00 0.00 N ATOM 890 CA VAL A 64 5.705 -4.131 1.130 1.00 0.00 C ATOM 891 C VAL A 64 7.227 -4.078 1.135 1.00 0.00 C ATOM 892 O VAL A 64 7.817 -3.051 1.385 1.00 0.00 O ATOM 893 CB VAL A 64 5.207 -3.472 -0.145 1.00 0.00 C ATOM 894 CG1 VAL A 64 3.689 -3.609 -0.248 1.00 0.00 C ATOM 895 CG2 VAL A 64 5.579 -1.989 -0.117 1.00 0.00 C ATOM 0 H VAL A 64 5.105 -2.345 2.083 1.00 0.00 H new ATOM 0 HA VAL A 64 5.399 -5.174 1.211 1.00 0.00 H new ATOM 0 HB VAL A 64 5.667 -3.958 -1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.342 -3.133 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.419 -4.665 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.221 -3.127 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.225 -1.508 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.115 -1.514 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.662 -1.887 -0.050 1.00 0.00 H new ATOM 905 N ARG A 65 7.874 -5.158 0.811 1.00 0.00 N ATOM 906 CA ARG A 65 9.354 -5.113 0.758 1.00 0.00 C ATOM 907 C ARG A 65 9.727 -4.227 -0.416 1.00 0.00 C ATOM 908 O ARG A 65 9.324 -4.461 -1.537 1.00 0.00 O ATOM 909 CB ARG A 65 9.939 -6.510 0.550 1.00 0.00 C ATOM 910 CG ARG A 65 9.048 -7.560 1.219 1.00 0.00 C ATOM 911 CD ARG A 65 9.901 -8.441 2.135 1.00 0.00 C ATOM 912 NE ARG A 65 10.257 -9.703 1.428 1.00 0.00 N ATOM 913 CZ ARG A 65 11.480 -9.898 1.019 1.00 0.00 C ATOM 914 NH1 ARG A 65 12.484 -9.599 1.797 1.00 0.00 N ATOM 915 NH2 ARG A 65 11.700 -10.396 -0.168 1.00 0.00 N ATOM 0 H ARG A 65 7.449 -6.057 0.584 1.00 0.00 H new ATOM 0 HA ARG A 65 9.752 -4.726 1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.025 -6.721 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.945 -6.557 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.261 -7.072 1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.557 -8.172 0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.806 -7.909 2.428 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.354 -8.667 3.050 1.00 0.00 H new ATOM 0 HE ARG A 65 9.545 -10.414 1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.312 -9.213 2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.440 -9.752 1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.915 -10.632 -0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.656 -10.548 -0.488 1.00 0.00 H new ATOM 929 N ALA A 66 10.482 -3.207 -0.148 1.00 0.00 N ATOM 930 CA ALA A 66 10.897 -2.253 -1.207 1.00 0.00 C ATOM 931 C ALA A 66 12.146 -2.777 -1.886 1.00 0.00 C ATOM 932 O ALA A 66 13.110 -2.070 -2.100 1.00 0.00 O ATOM 933 CB ALA A 66 11.198 -0.908 -0.565 1.00 0.00 C ATOM 0 H ALA A 66 10.838 -2.988 0.782 1.00 0.00 H new ATOM 0 HA ALA A 66 10.101 -2.142 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.504 -0.198 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.305 -0.536 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.001 -1.024 0.163 1.00 0.00 H new ATOM 939 N GLY A 67 12.121 -4.019 -2.220 1.00 0.00 N ATOM 940 CA GLY A 67 13.296 -4.642 -2.892 1.00 0.00 C ATOM 941 C GLY A 67 14.149 -5.388 -1.862 1.00 0.00 C ATOM 942 O GLY A 67 13.658 -5.868 -0.861 1.00 0.00 O ATOM 0 H GLY A 67 11.333 -4.646 -2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.960 -5.331 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.893 -3.875 -3.385 1.00 0.00 H new ATOM 946 N ASP A 68 15.425 -5.501 -2.116 1.00 0.00 N ATOM 947 CA ASP A 68 16.320 -6.228 -1.180 1.00 0.00 C ATOM 948 C ASP A 68 16.294 -5.590 0.214 1.00 0.00 C ATOM 949 O ASP A 68 16.529 -4.408 0.371 1.00 0.00 O ATOM 950 CB ASP A 68 17.750 -6.196 -1.722 1.00 0.00 C ATOM 951 CG ASP A 68 18.100 -4.771 -2.156 1.00 0.00 C ATOM 952 OD1 ASP A 68 17.804 -4.429 -3.289 1.00 0.00 O ATOM 953 OD2 ASP A 68 18.658 -4.047 -1.347 1.00 0.00 O ATOM 0 H ASP A 68 15.886 -5.116 -2.940 1.00 0.00 H new ATOM 0 HA ASP A 68 15.970 -7.257 -1.096 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.448 -6.536 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.845 -6.878 -2.567 1.00 0.00 H new ATOM 958 N ASN A 92 16.032 -6.385 1.221 1.00 0.00 N ATOM 959 CA ASN A 92 16.004 -5.880 2.631 1.00 0.00 C ATOM 960 C ASN A 92 15.536 -4.424 2.691 1.00 0.00 C ATOM 961 O ASN A 92 16.094 -3.612 3.402 1.00 0.00 O ATOM 962 CB ASN A 92 17.406 -5.990 3.234 1.00 0.00 C ATOM 963 CG ASN A 92 18.367 -5.085 2.463 1.00 0.00 C ATOM 964 OD1 ASN A 92 18.811 -5.428 1.385 1.00 0.00 O ATOM 965 ND2 ASN A 92 18.708 -3.935 2.973 1.00 0.00 N ATOM 0 H ASN A 92 15.833 -7.381 1.125 1.00 0.00 H new ATOM 0 HA ASN A 92 15.300 -6.487 3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.384 -5.703 4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 92 17.751 -7.023 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 92 19.348 -3.322 2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 92 18.335 -3.648 3.878 1.00 0.00 H new ATOM 972 N LYS A 93 14.505 -4.095 1.973 1.00 0.00 N ATOM 973 CA LYS A 93 13.986 -2.702 2.011 1.00 0.00 C ATOM 974 C LYS A 93 12.491 -2.767 2.311 1.00 0.00 C ATOM 975 O LYS A 93 11.911 -3.835 2.326 1.00 0.00 O ATOM 976 CB LYS A 93 14.220 -2.020 0.661 1.00 0.00 C ATOM 977 CG LYS A 93 14.939 -0.686 0.886 1.00 0.00 C ATOM 978 CD LYS A 93 15.906 -0.419 -0.269 1.00 0.00 C ATOM 979 CE LYS A 93 15.226 0.480 -1.303 1.00 0.00 C ATOM 980 NZ LYS A 93 15.684 1.886 -1.116 1.00 0.00 N ATOM 0 H LYS A 93 13.996 -4.731 1.359 1.00 0.00 H new ATOM 0 HA LYS A 93 14.502 -2.126 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.817 -2.663 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.269 -1.853 0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.211 0.122 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.483 -0.710 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.812 0.058 0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.207 -1.359 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.465 0.139 -2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.143 0.422 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.222 2.498 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.434 2.208 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.715 1.934 -1.240 1.00 0.00 H new ATOM 994 N TYR A 94 11.853 -1.659 2.560 1.00 0.00 N ATOM 995 CA TYR A 94 10.402 -1.720 2.860 1.00 0.00 C ATOM 996 C TYR A 94 9.742 -0.386 2.565 1.00 0.00 C ATOM 997 O TYR A 94 10.374 0.652 2.546 1.00 0.00 O ATOM 998 CB TYR A 94 10.207 -2.090 4.322 1.00 0.00 C ATOM 999 CG TYR A 94 10.282 -3.589 4.440 1.00 0.00 C ATOM 1000 CD1 TYR A 94 9.192 -4.382 4.058 1.00 0.00 C ATOM 1001 CD2 TYR A 94 11.452 -4.190 4.910 1.00 0.00 C ATOM 1002 CE1 TYR A 94 9.276 -5.776 4.152 1.00 0.00 C ATOM 1003 CE2 TYR A 94 11.536 -5.581 5.006 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.449 -6.376 4.626 1.00 0.00 C ATOM 1005 OH TYR A 94 10.532 -7.750 4.719 1.00 0.00 O ATOM 0 H TYR A 94 12.268 -0.727 2.568 1.00 0.00 H new ATOM 0 HA TYR A 94 9.938 -2.477 2.228 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.974 -1.621 4.939 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.244 -1.728 4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.288 -3.918 3.691 1.00 0.00 H new ATOM 0 HD2 TYR A 94 12.293 -3.578 5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.436 -6.389 3.859 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.440 -6.043 5.374 1.00 0.00 H new ATOM 0 HH TYR A 94 11.414 -8.002 5.065 1.00 0.00 H new ATOM 1015 N MET A 95 8.466 -0.414 2.323 1.00 0.00 N ATOM 1016 CA MET A 95 7.742 0.840 2.013 1.00 0.00 C ATOM 1017 C MET A 95 6.274 0.684 2.401 1.00 0.00 C ATOM 1018 O MET A 95 5.553 -0.127 1.847 1.00 0.00 O ATOM 1019 CB MET A 95 7.847 1.121 0.515 1.00 0.00 C ATOM 1020 CG MET A 95 7.420 2.562 0.230 1.00 0.00 C ATOM 1021 SD MET A 95 5.645 2.609 -0.118 1.00 0.00 S ATOM 1022 CE MET A 95 5.642 1.387 -1.452 1.00 0.00 C ATOM 0 H MET A 95 7.892 -1.257 2.327 1.00 0.00 H new ATOM 0 HA MET A 95 8.179 1.667 2.572 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.870 0.961 0.176 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.215 0.428 -0.040 1.00 0.00 H new ATOM 0 HG2 MET A 95 7.650 3.197 1.086 1.00 0.00 H new ATOM 0 HG3 MET A 95 7.978 2.957 -0.619 1.00 0.00 H new ATOM 0 HE1 MET A 95 5.018 1.744 -2.271 1.00 0.00 H new ATOM 0 HE2 MET A 95 6.660 1.237 -1.810 1.00 0.00 H new ATOM 0 HE3 MET A 95 5.246 0.442 -1.079 1.00 0.00 H new ATOM 1032 N HIS A 96 5.822 1.462 3.339 1.00 0.00 N ATOM 1033 CA HIS A 96 4.398 1.375 3.745 1.00 0.00 C ATOM 1034 C HIS A 96 3.575 2.068 2.675 1.00 0.00 C ATOM 1035 O HIS A 96 4.002 3.054 2.108 1.00 0.00 O ATOM 1036 CB HIS A 96 4.192 2.099 5.068 1.00 0.00 C ATOM 1037 CG HIS A 96 4.199 1.116 6.194 1.00 0.00 C ATOM 1038 ND1 HIS A 96 3.976 -0.230 6.228 1.00 0.00 N flip ATOM 1039 CD2 HIS A 96 4.464 1.493 7.497 1.00 0.00 C flip ATOM 1040 CE1 HIS A 96 4.109 -0.694 7.534 1.00 0.00 C flip ATOM 1041 NE2 HIS A 96 4.393 0.394 8.258 1.00 0.00 N flip ATOM 0 H HIS A 96 6.377 2.154 3.842 1.00 0.00 H new ATOM 0 HA HIS A 96 4.101 0.333 3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.980 2.838 5.214 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.246 2.640 5.053 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.688 2.493 7.839 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.005 -1.710 7.885 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.538 0.387 9.268 1.00 0.00 H new ATOM 1049 N LEU A 97 2.420 1.575 2.367 1.00 0.00 N ATOM 1050 CA LEU A 97 1.638 2.255 1.302 1.00 0.00 C ATOM 1051 C LEU A 97 0.179 2.463 1.694 1.00 0.00 C ATOM 1052 O LEU A 97 -0.502 1.563 2.136 1.00 0.00 O ATOM 1053 CB LEU A 97 1.690 1.431 0.032 1.00 0.00 C ATOM 1054 CG LEU A 97 1.312 2.332 -1.132 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.582 2.803 -1.837 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.433 1.551 -2.099 1.00 0.00 C ATOM 0 H LEU A 97 1.988 0.754 2.790 1.00 0.00 H new ATOM 0 HA LEU A 97 2.087 3.236 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.689 1.020 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.004 0.587 0.098 1.00 0.00 H new ATOM 0 HG LEU A 97 0.763 3.202 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.316 3.450 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.204 3.357 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.134 1.939 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.157 2.190 -2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.980 0.684 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.468 1.219 -1.584 1.00 0.00 H new ATOM 1068 N LYS A 98 -0.299 3.660 1.495 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.717 3.983 1.807 1.00 0.00 C ATOM 1070 C LYS A 98 -2.476 4.248 0.492 1.00 0.00 C ATOM 1071 O LYS A 98 -2.634 5.382 0.087 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.772 5.240 2.675 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.936 5.129 3.659 1.00 0.00 C ATOM 1074 CD LYS A 98 -3.536 6.516 3.900 1.00 0.00 C ATOM 1075 CE LYS A 98 -4.499 6.856 2.762 1.00 0.00 C ATOM 1076 NZ LYS A 98 -5.257 8.093 3.102 1.00 0.00 N ATOM 0 H LYS A 98 0.243 4.440 1.123 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.173 3.148 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.834 5.362 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.895 6.123 2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.697 4.456 3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.590 4.702 4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -4.062 6.536 4.855 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.744 7.263 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.945 7.000 1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.189 6.029 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.912 8.323 2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.797 7.940 3.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.592 8.881 3.239 1.00 0.00 H new ATOM 1090 N VAL A 99 -2.944 3.223 -0.185 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.683 3.449 -1.468 1.00 0.00 C ATOM 1092 C VAL A 99 -5.158 3.748 -1.156 1.00 0.00 C ATOM 1093 O VAL A 99 -5.661 3.380 -0.117 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.599 2.169 -2.338 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -4.886 1.990 -3.137 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.453 2.260 -3.338 1.00 0.00 C ATOM 0 H VAL A 99 -2.846 2.247 0.094 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.240 4.289 -2.003 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.440 1.329 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.815 1.088 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.730 1.901 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.034 2.853 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.418 1.349 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.609 3.117 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.511 2.380 -2.802 1.00 0.00 H new ATOM 1106 N PHE A 100 -5.875 4.369 -2.063 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.315 4.613 -1.799 1.00 0.00 C ATOM 1108 C PHE A 100 -8.121 4.033 -2.958 1.00 0.00 C ATOM 1109 O PHE A 100 -7.823 4.274 -4.115 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.593 6.111 -1.685 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.066 6.332 -1.451 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -9.934 6.451 -2.543 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -9.563 6.417 -0.147 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.302 6.653 -2.329 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -10.932 6.620 0.067 1.00 0.00 C ATOM 1116 CZ PHE A 100 -11.802 6.737 -1.024 1.00 0.00 C ATOM 0 H PHE A 100 -5.526 4.710 -2.959 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.598 4.138 -0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.016 6.538 -0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.278 6.621 -2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.548 6.387 -3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.892 6.326 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.972 6.744 -3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -11.317 6.686 1.074 1.00 0.00 H new ATOM 0 HZ PHE A 100 -12.858 6.892 -0.859 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.140 3.274 -2.664 1.00 0.00 N ATOM 1127 CA LYS A 101 -9.968 2.699 -3.755 1.00 0.00 C ATOM 1128 C LYS A 101 -11.299 3.431 -3.769 1.00 0.00 C ATOM 1129 O LYS A 101 -11.813 3.835 -2.744 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.203 1.206 -3.524 1.00 0.00 C ATOM 1131 CG LYS A 101 -11.212 0.674 -4.546 1.00 0.00 C ATOM 1132 CD LYS A 101 -12.379 0.007 -3.816 1.00 0.00 C ATOM 1133 CE LYS A 101 -12.564 -1.417 -4.341 1.00 0.00 C ATOM 1134 NZ LYS A 101 -13.072 -2.289 -3.243 1.00 0.00 N ATOM 0 H LYS A 101 -9.433 3.029 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.454 2.816 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.262 0.663 -3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.574 1.039 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.578 1.490 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -10.729 -0.042 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.187 -0.012 -2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.292 0.583 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.265 -1.420 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.617 -1.803 -4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.198 -3.258 -3.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.388 -2.295 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -13.985 -1.924 -2.903 1.00 0.00 H new ATOM 1148 N SER A 102 -11.855 3.621 -4.920 1.00 0.00 N ATOM 1149 CA SER A 102 -13.150 4.346 -4.996 1.00 0.00 C ATOM 1150 C SER A 102 -14.302 3.346 -5.097 1.00 0.00 C ATOM 1151 O SER A 102 -14.920 3.200 -6.133 1.00 0.00 O ATOM 1152 CB SER A 102 -13.146 5.258 -6.223 1.00 0.00 C ATOM 1153 OG SER A 102 -13.021 6.609 -5.802 1.00 0.00 O ATOM 0 H SER A 102 -11.475 3.309 -5.813 1.00 0.00 H new ATOM 0 HA SER A 102 -13.283 4.946 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.321 4.993 -6.885 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.066 5.126 -6.792 1.00 0.00 H new ATOM 0 HG SER A 102 -13.016 7.197 -6.586 1.00 0.00 H new ATOM 1159 N LEU A 102A -14.611 2.679 -4.016 1.00 0.00 N ATOM 1160 CA LEU A 102A -15.724 1.710 -4.014 1.00 0.00 C ATOM 1161 C LEU A 102A -15.532 0.673 -5.128 1.00 0.00 C ATOM 1162 O LEU A 102A -14.838 0.918 -6.093 1.00 0.00 O ATOM 1163 CB LEU A 102A -17.006 2.487 -4.233 1.00 0.00 C ATOM 1164 CG LEU A 102A -17.232 3.436 -3.056 1.00 0.00 C ATOM 1165 CD1 LEU A 102A -18.338 4.435 -3.404 1.00 0.00 C ATOM 1166 CD2 LEU A 102A -17.637 2.630 -1.820 1.00 0.00 C ATOM 0 H LEU A 102A -14.125 2.773 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 102A -15.760 1.173 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 102A -16.948 3.052 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 102A -17.848 1.801 -4.328 1.00 0.00 H new ATOM 0 HG LEU A 102A -16.310 3.979 -2.848 1.00 0.00 H new ATOM 0 HD11 LEU A 102A -18.497 5.110 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 102A -18.045 5.011 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 102A -19.262 3.896 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 102A -17.798 3.307 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 102A -18.557 2.084 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 102A -16.845 1.924 -1.570 1.00 0.00 H new ATOM 1178 N PRO A 103 -16.155 -0.464 -4.956 1.00 0.00 N ATOM 1179 CA PRO A 103 -16.076 -1.565 -5.929 1.00 0.00 C ATOM 1180 C PRO A 103 -17.017 -1.294 -7.105 1.00 0.00 C ATOM 1181 O PRO A 103 -17.697 -0.289 -7.148 1.00 0.00 O ATOM 1182 CB PRO A 103 -16.538 -2.785 -5.129 1.00 0.00 C ATOM 1183 CG PRO A 103 -17.385 -2.239 -3.953 1.00 0.00 C ATOM 1184 CD PRO A 103 -16.990 -0.760 -3.774 1.00 0.00 C ATOM 0 HA PRO A 103 -15.081 -1.696 -6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -17.127 -3.458 -5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -15.685 -3.355 -4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.450 -2.332 -4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -17.192 -2.804 -3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -17.868 -0.115 -3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -16.438 -0.604 -2.847 1.00 0.00 H new ATOM 1192 N GLY A 104 -17.063 -2.182 -8.060 1.00 0.00 N ATOM 1193 CA GLY A 104 -17.962 -1.971 -9.229 1.00 0.00 C ATOM 1194 C GLY A 104 -17.247 -2.396 -10.511 1.00 0.00 C ATOM 1195 O GLY A 104 -16.994 -3.562 -10.733 1.00 0.00 O ATOM 0 H GLY A 104 -16.517 -3.044 -8.081 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.879 -2.547 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -18.251 -0.922 -9.293 1.00 0.00 H new ATOM 1199 N GLN A 105 -16.920 -1.459 -11.360 1.00 0.00 N ATOM 1200 CA GLN A 105 -16.224 -1.818 -12.628 1.00 0.00 C ATOM 1201 C GLN A 105 -15.170 -0.759 -12.955 1.00 0.00 C ATOM 1202 O GLN A 105 -15.353 0.414 -12.692 1.00 0.00 O ATOM 1203 CB GLN A 105 -17.242 -1.888 -13.769 1.00 0.00 C ATOM 1204 CG GLN A 105 -18.525 -2.557 -13.273 1.00 0.00 C ATOM 1205 CD GLN A 105 -19.668 -2.244 -14.241 1.00 0.00 C ATOM 1206 OE1 GLN A 105 -19.951 -3.016 -15.137 1.00 0.00 O ATOM 1207 NE2 GLN A 105 -20.339 -1.135 -14.100 1.00 0.00 N ATOM 0 H GLN A 105 -17.104 -0.464 -11.231 1.00 0.00 H new ATOM 0 HA GLN A 105 -15.740 -2.788 -12.510 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.461 -0.885 -14.136 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.827 -2.450 -14.606 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -18.381 -3.635 -13.199 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -18.772 -2.199 -12.273 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -20.102 -0.487 -13.349 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -21.101 -0.915 -14.741 1.00 0.00 H new ATOM 1216 N ASN A 105A -14.074 -1.165 -13.536 1.00 0.00 N ATOM 1217 CA ASN A 105A -13.003 -0.192 -13.893 1.00 0.00 C ATOM 1218 C ASN A 105A -12.829 0.826 -12.764 1.00 0.00 C ATOM 1219 O ASN A 105A -13.094 1.999 -12.931 1.00 0.00 O ATOM 1220 CB ASN A 105A -13.387 0.537 -15.181 1.00 0.00 C ATOM 1221 CG ASN A 105A -14.174 -0.408 -16.092 1.00 0.00 C ATOM 1222 OD1 ASN A 105A -15.358 -0.609 -15.902 1.00 0.00 O ATOM 1223 ND2 ASN A 105A -13.562 -1.000 -17.081 1.00 0.00 N ATOM 0 H ASN A 105A -13.874 -2.135 -13.780 1.00 0.00 H new ATOM 0 HA ASN A 105A -12.065 -0.728 -14.041 1.00 0.00 H new ATOM 0 HB2 ASN A 105A -13.987 1.417 -14.948 1.00 0.00 H new ATOM 0 HB3 ASN A 105A -12.491 0.889 -15.692 1.00 0.00 H new ATOM 0 HD21 ASN A 105A -14.077 -1.631 -17.695 1.00 0.00 H new ATOM 0 HD22 ASN A 105A -12.569 -0.831 -17.240 1.00 0.00 H new ATOM 1230 N GLU A 106 -12.383 0.388 -11.619 1.00 0.00 N ATOM 1231 CA GLU A 106 -12.190 1.337 -10.486 1.00 0.00 C ATOM 1232 C GLU A 106 -10.914 2.148 -10.718 1.00 0.00 C ATOM 1233 O GLU A 106 -10.242 1.992 -11.719 1.00 0.00 O ATOM 1234 CB GLU A 106 -12.074 0.554 -9.177 1.00 0.00 C ATOM 1235 CG GLU A 106 -11.051 -0.570 -9.340 1.00 0.00 C ATOM 1236 CD GLU A 106 -11.764 -1.922 -9.275 1.00 0.00 C ATOM 1237 OE1 GLU A 106 -12.354 -2.307 -10.271 1.00 0.00 O ATOM 1238 OE2 GLU A 106 -11.710 -2.548 -8.229 1.00 0.00 O ATOM 0 H GLU A 106 -12.144 -0.583 -11.419 1.00 0.00 H new ATOM 0 HA GLU A 106 -13.043 2.013 -10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -11.772 1.220 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -13.044 0.139 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.530 -0.467 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -10.297 -0.506 -8.556 1.00 0.00 H new ATOM 1245 N ASP A 107 -10.575 3.019 -9.808 1.00 0.00 N ATOM 1246 CA ASP A 107 -9.344 3.841 -9.990 1.00 0.00 C ATOM 1247 C ASP A 107 -8.660 4.064 -8.646 1.00 0.00 C ATOM 1248 O ASP A 107 -8.750 5.124 -8.058 1.00 0.00 O ATOM 1249 CB ASP A 107 -9.723 5.190 -10.591 1.00 0.00 C ATOM 1250 CG ASP A 107 -8.949 5.405 -11.892 1.00 0.00 C ATOM 1251 OD1 ASP A 107 -8.844 4.461 -12.658 1.00 0.00 O ATOM 1252 OD2 ASP A 107 -8.473 6.509 -12.100 1.00 0.00 O ATOM 0 H ASP A 107 -11.095 3.197 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.660 3.316 -10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -10.795 5.226 -10.783 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.499 5.990 -9.886 1.00 0.00 H new ATOM 1257 N LEU A 108 -7.967 3.078 -8.161 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.264 3.240 -6.858 1.00 0.00 C ATOM 1259 C LEU A 108 -6.261 4.351 -6.966 1.00 0.00 C ATOM 1260 O LEU A 108 -6.196 5.075 -7.940 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.532 1.957 -6.471 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.540 0.987 -5.873 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.580 0.660 -6.932 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.822 -0.291 -5.434 1.00 0.00 C ATOM 0 H LEU A 108 -7.855 2.168 -8.607 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.008 3.470 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.054 1.515 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.742 2.174 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.024 1.433 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.312 -0.035 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.084 1.576 -7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.091 0.205 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.545 -0.986 -5.006 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.342 -0.753 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.067 -0.046 -4.687 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.508 4.516 -5.940 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.529 5.618 -5.932 1.00 0.00 C ATOM 1278 C VAL A 109 -3.478 5.410 -4.848 1.00 0.00 C ATOM 1279 O VAL A 109 -3.660 4.638 -3.936 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.320 6.860 -5.601 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -5.845 6.724 -4.187 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.444 8.105 -5.717 1.00 0.00 C ATOM 0 H VAL A 109 -5.524 3.936 -5.101 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.013 5.681 -6.890 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.147 6.967 -6.303 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.421 7.612 -3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.484 5.844 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.008 6.618 -3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.034 8.989 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.606 8.026 -5.024 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.066 8.190 -6.736 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.400 6.136 -4.927 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.357 6.056 -3.910 1.00 0.00 C ATOM 1294 C LEU A 110 -1.626 7.232 -2.960 1.00 0.00 C ATOM 1295 O LEU A 110 -1.107 8.316 -3.127 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.033 6.208 -4.650 1.00 0.00 C ATOM 1297 CG LEU A 110 1.037 6.713 -3.719 1.00 0.00 C ATOM 1298 CD1 LEU A 110 1.110 5.792 -2.509 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.361 6.705 -4.469 1.00 0.00 C ATOM 0 H LEU A 110 -2.208 6.795 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.335 5.127 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.267 5.249 -5.072 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.153 6.899 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 110 0.815 7.725 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.882 6.148 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.148 5.787 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.352 4.781 -2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.153 7.068 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.592 5.689 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.288 7.353 -5.343 1.00 0.00 H new ATOM 1311 N THR A 111 -2.516 7.048 -2.017 1.00 0.00 N ATOM 1312 CA THR A 111 -2.898 8.187 -1.117 1.00 0.00 C ATOM 1313 C THR A 111 -1.960 8.334 0.086 1.00 0.00 C ATOM 1314 O THR A 111 -2.102 9.253 0.868 1.00 0.00 O ATOM 1315 CB THR A 111 -4.328 7.975 -0.617 1.00 0.00 C ATOM 1316 OG1 THR A 111 -4.555 6.591 -0.394 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.312 8.494 -1.666 1.00 0.00 C ATOM 0 H THR A 111 -2.993 6.166 -1.830 1.00 0.00 H new ATOM 0 HA THR A 111 -2.820 9.103 -1.703 1.00 0.00 H new ATOM 0 HB THR A 111 -4.472 8.517 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.733 6.174 -0.060 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.332 8.345 -1.313 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.138 9.557 -1.834 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.168 7.951 -2.600 1.00 0.00 H new ATOM 1325 N GLY A 112 -1.010 7.465 0.259 1.00 0.00 N ATOM 1326 CA GLY A 112 -0.098 7.618 1.430 1.00 0.00 C ATOM 1327 C GLY A 112 1.053 6.630 1.314 1.00 0.00 C ATOM 1328 O GLY A 112 1.203 5.970 0.306 1.00 0.00 O ATOM 0 H GLY A 112 -0.823 6.666 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.287 8.637 1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.647 7.445 2.356 1.00 0.00 H new ATOM 1332 N TYR A 113 1.868 6.522 2.338 1.00 0.00 N ATOM 1333 CA TYR A 113 3.005 5.579 2.296 1.00 0.00 C ATOM 1334 C TYR A 113 4.126 6.015 3.248 1.00 0.00 C ATOM 1335 O TYR A 113 4.583 7.138 3.225 1.00 0.00 O ATOM 1336 CB TYR A 113 3.584 5.510 0.893 1.00 0.00 C ATOM 1337 CG TYR A 113 3.625 6.878 0.226 1.00 0.00 C ATOM 1338 CD1 TYR A 113 3.521 8.065 0.969 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.800 6.944 -1.156 1.00 0.00 C ATOM 1340 CE1 TYR A 113 3.590 9.304 0.323 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.875 8.182 -1.803 1.00 0.00 C ATOM 1342 CZ TYR A 113 3.770 9.363 -1.063 1.00 0.00 C ATOM 1343 OH TYR A 113 3.844 10.587 -1.698 1.00 0.00 O ATOM 0 H TYR A 113 1.784 7.056 3.203 1.00 0.00 H new ATOM 0 HA TYR A 113 2.624 4.604 2.601 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.592 5.097 0.936 1.00 0.00 H new ATOM 0 HB3 TYR A 113 2.987 4.829 0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 113 3.388 8.021 2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.878 6.033 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 113 3.504 10.216 0.895 1.00 0.00 H new ATOM 0 HE2 TYR A 113 4.014 8.225 -2.873 1.00 0.00 H new ATOM 0 HH TYR A 113 3.971 10.449 -2.660 1.00 0.00 H new ATOM 1353 N GLN A 114 4.638 5.117 4.034 1.00 0.00 N ATOM 1354 CA GLN A 114 5.782 5.490 4.903 1.00 0.00 C ATOM 1355 C GLN A 114 7.020 5.066 4.125 1.00 0.00 C ATOM 1356 O GLN A 114 7.396 3.914 4.120 1.00 0.00 O ATOM 1357 CB GLN A 114 5.726 4.768 6.258 1.00 0.00 C ATOM 1358 CG GLN A 114 4.275 4.670 6.747 1.00 0.00 C ATOM 1359 CD GLN A 114 3.700 6.074 6.943 1.00 0.00 C ATOM 1360 OE1 GLN A 114 4.285 7.051 6.517 1.00 0.00 O ATOM 1361 NE2 GLN A 114 2.567 6.216 7.577 1.00 0.00 N ATOM 0 H GLN A 114 4.319 4.151 4.113 1.00 0.00 H new ATOM 0 HA GLN A 114 5.776 6.556 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.154 3.770 6.164 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.329 5.306 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.674 4.118 6.024 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.234 4.116 7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.076 5.396 7.934 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.173 7.147 7.715 1.00 0.00 H new ATOM 1370 N VAL A 115 7.618 5.972 3.410 1.00 0.00 N ATOM 1371 CA VAL A 115 8.775 5.597 2.574 1.00 0.00 C ATOM 1372 C VAL A 115 9.950 5.163 3.434 1.00 0.00 C ATOM 1373 O VAL A 115 10.037 5.464 4.607 1.00 0.00 O ATOM 1374 CB VAL A 115 9.153 6.786 1.703 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.181 7.656 2.412 1.00 0.00 C ATOM 1376 CG2 VAL A 115 9.730 6.280 0.391 1.00 0.00 C ATOM 0 H VAL A 115 7.352 6.956 3.371 1.00 0.00 H new ATOM 0 HA VAL A 115 8.507 4.751 1.942 1.00 0.00 H new ATOM 0 HB VAL A 115 8.263 7.385 1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.442 8.502 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.763 8.022 3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.075 7.068 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.003 7.128 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 115 10.616 5.677 0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.986 5.672 -0.123 1.00 0.00 H new ATOM 1386 N ASP A 115A 10.850 4.449 2.836 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.038 3.966 3.586 1.00 0.00 C ATOM 1388 C ASP A 115A 11.599 3.457 4.965 1.00 0.00 C ATOM 1389 O ASP A 115A 12.288 3.635 5.949 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.027 5.119 3.750 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.452 4.565 3.811 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.902 4.029 2.812 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.070 4.689 4.856 1.00 0.00 O ATOM 0 H ASP A 115A 10.817 4.176 1.854 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.515 3.152 3.040 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 12.932 5.815 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 12.803 5.677 4.659 1.00 0.00 H new ATOM 1398 N LYS A 116 10.455 2.823 5.046 1.00 0.00 N ATOM 1399 CA LYS A 116 9.971 2.303 6.337 1.00 0.00 C ATOM 1400 C LYS A 116 10.858 1.128 6.764 1.00 0.00 C ATOM 1401 O LYS A 116 11.941 0.943 6.245 1.00 0.00 O ATOM 1402 CB LYS A 116 8.527 1.842 6.131 1.00 0.00 C ATOM 1403 CG LYS A 116 8.507 0.603 5.233 1.00 0.00 C ATOM 1404 CD LYS A 116 7.166 -0.112 5.394 1.00 0.00 C ATOM 1405 CE LYS A 116 7.161 -0.885 6.713 1.00 0.00 C ATOM 1406 NZ LYS A 116 8.153 -1.995 6.641 1.00 0.00 N ATOM 0 H LYS A 116 9.836 2.647 4.254 1.00 0.00 H new ATOM 0 HA LYS A 116 10.010 3.064 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.067 1.614 7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.940 2.641 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.657 0.891 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 116 9.324 -0.067 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.351 0.612 5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 116 7.002 -0.793 4.559 1.00 0.00 H new ATOM 0 HE2 LYS A 116 7.405 -0.217 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 116 6.166 -1.284 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 8.103 -2.563 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.940 -2.598 5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 9.110 -1.600 6.541 1.00 0.00 H new ATOM 1420 N ASN A 117 10.419 0.330 7.699 1.00 0.00 N ATOM 1421 CA ASN A 117 11.259 -0.825 8.138 1.00 0.00 C ATOM 1422 C ASN A 117 10.377 -1.897 8.778 1.00 0.00 C ATOM 1423 O ASN A 117 9.180 -1.740 8.899 1.00 0.00 O ATOM 1424 CB ASN A 117 12.296 -0.351 9.153 1.00 0.00 C ATOM 1425 CG ASN A 117 13.000 0.896 8.616 1.00 0.00 C ATOM 1426 OD1 ASN A 117 13.976 0.794 7.898 1.00 0.00 O ATOM 1427 ND2 ASN A 117 12.544 2.075 8.934 1.00 0.00 N ATOM 0 H ASN A 117 9.522 0.425 8.176 1.00 0.00 H new ATOM 0 HA ASN A 117 11.765 -1.246 7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.814 -0.128 10.105 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.024 -1.140 9.341 1.00 0.00 H new ATOM 0 HD21 ASN A 117 13.006 2.913 8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 117 11.725 2.160 9.536 1.00 0.00 H new ATOM 1434 N LYS A 118 10.965 -2.989 9.188 1.00 0.00 N ATOM 1435 CA LYS A 118 10.171 -4.085 9.819 1.00 0.00 C ATOM 1436 C LYS A 118 9.656 -3.630 11.183 1.00 0.00 C ATOM 1437 O LYS A 118 8.852 -4.294 11.807 1.00 0.00 O ATOM 1438 CB LYS A 118 11.063 -5.314 10.001 1.00 0.00 C ATOM 1439 CG LYS A 118 10.315 -6.566 9.532 1.00 0.00 C ATOM 1440 CD LYS A 118 11.165 -7.810 9.816 1.00 0.00 C ATOM 1441 CE LYS A 118 10.611 -9.002 9.029 1.00 0.00 C ATOM 1442 NZ LYS A 118 11.363 -10.238 9.396 1.00 0.00 N ATOM 0 H LYS A 118 11.966 -3.170 9.113 1.00 0.00 H new ATOM 0 HA LYS A 118 9.325 -4.333 9.178 1.00 0.00 H new ATOM 0 HB2 LYS A 118 11.985 -5.194 9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 118 11.346 -5.418 11.048 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.357 -6.643 10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 118 10.100 -6.496 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 118 12.202 -7.626 9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 118 11.158 -8.031 10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 118 9.551 -9.132 9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 118 10.698 -8.816 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.985 -11.046 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 12.370 -10.112 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.258 -10.418 10.415 1.00 0.00 H new ATOM 1456 N ASP A 119 10.114 -2.506 11.653 1.00 0.00 N ATOM 1457 CA ASP A 119 9.655 -2.014 12.981 1.00 0.00 C ATOM 1458 C ASP A 119 8.565 -0.959 12.785 1.00 0.00 C ATOM 1459 O ASP A 119 8.109 -0.344 13.729 1.00 0.00 O ATOM 1460 CB ASP A 119 10.838 -1.397 13.728 1.00 0.00 C ATOM 1461 CG ASP A 119 10.641 -1.570 15.234 1.00 0.00 C ATOM 1462 OD1 ASP A 119 9.788 -0.891 15.783 1.00 0.00 O ATOM 1463 OD2 ASP A 119 11.348 -2.378 15.815 1.00 0.00 O ATOM 0 H ASP A 119 10.787 -1.906 11.176 1.00 0.00 H new ATOM 0 HA ASP A 119 9.253 -2.845 13.560 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.767 -1.874 13.416 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.925 -0.339 13.482 1.00 0.00 H new ATOM 1468 N ASP A 120 8.147 -0.736 11.569 1.00 0.00 N ATOM 1469 CA ASP A 120 7.090 0.286 11.327 1.00 0.00 C ATOM 1470 C ASP A 120 5.741 -0.393 11.142 1.00 0.00 C ATOM 1471 O ASP A 120 5.540 -1.157 10.219 1.00 0.00 O ATOM 1472 CB ASP A 120 7.401 1.076 10.056 1.00 0.00 C ATOM 1473 CG ASP A 120 7.110 2.560 10.292 1.00 0.00 C ATOM 1474 OD1 ASP A 120 6.398 2.862 11.236 1.00 0.00 O ATOM 1475 OD2 ASP A 120 7.605 3.371 9.526 1.00 0.00 O ATOM 0 H ASP A 120 8.490 -1.215 10.736 1.00 0.00 H new ATOM 0 HA ASP A 120 7.061 0.955 12.187 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.446 0.939 9.777 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.799 0.704 9.227 1.00 0.00 H new ATOM 1480 N GLU A 121 4.799 -0.088 11.983 1.00 0.00 N ATOM 1481 CA GLU A 121 3.450 -0.675 11.816 1.00 0.00 C ATOM 1482 C GLU A 121 2.614 0.363 11.071 1.00 0.00 C ATOM 1483 O GLU A 121 2.720 1.545 11.329 1.00 0.00 O ATOM 1484 CB GLU A 121 2.835 -0.975 13.187 1.00 0.00 C ATOM 1485 CG GLU A 121 2.194 -2.366 13.165 1.00 0.00 C ATOM 1486 CD GLU A 121 2.451 -3.072 14.499 1.00 0.00 C ATOM 1487 OE1 GLU A 121 3.589 -3.070 14.939 1.00 0.00 O ATOM 1488 OE2 GLU A 121 1.506 -3.605 15.057 1.00 0.00 O ATOM 0 H GLU A 121 4.906 0.542 12.778 1.00 0.00 H new ATOM 0 HA GLU A 121 3.490 -1.613 11.262 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.602 -0.928 13.960 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.087 -0.222 13.435 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.122 -2.280 12.988 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.606 -2.954 12.345 1.00 0.00 H new ATOM 1495 N LEU A 122 1.814 -0.042 10.130 1.00 0.00 N ATOM 1496 CA LEU A 122 1.015 0.962 9.374 1.00 0.00 C ATOM 1497 C LEU A 122 0.144 1.741 10.345 1.00 0.00 C ATOM 1498 O LEU A 122 0.233 2.949 10.433 1.00 0.00 O ATOM 1499 CB LEU A 122 0.178 0.247 8.329 1.00 0.00 C ATOM 1500 CG LEU A 122 1.138 -0.618 7.534 1.00 0.00 C ATOM 1501 CD1 LEU A 122 0.890 -2.074 7.849 1.00 0.00 C ATOM 1502 CD2 LEU A 122 0.971 -0.380 6.043 1.00 0.00 C ATOM 0 H LEU A 122 1.677 -1.014 9.852 1.00 0.00 H new ATOM 0 HA LEU A 122 1.671 1.667 8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.595 -0.361 8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.329 0.962 7.681 1.00 0.00 H new ATOM 0 HG LEU A 122 2.157 -0.351 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.581 -2.693 7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.045 -2.247 8.914 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.135 -2.334 7.584 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.670 -1.011 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.049 -0.625 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.173 0.667 5.817 1.00 0.00 H new ATOM 1514 N THR A 123 -0.665 1.064 11.111 1.00 0.00 N ATOM 1515 CA THR A 123 -1.504 1.781 12.112 1.00 0.00 C ATOM 1516 C THR A 123 -2.120 3.016 11.458 1.00 0.00 C ATOM 1517 O THR A 123 -2.061 3.190 10.257 1.00 0.00 O ATOM 1518 CB THR A 123 -0.619 2.206 13.311 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.751 3.598 13.555 1.00 0.00 O ATOM 1520 CG2 THR A 123 0.849 1.906 13.013 1.00 0.00 C ATOM 0 H THR A 123 -0.782 0.051 11.088 1.00 0.00 H new ATOM 0 HA THR A 123 -2.300 1.126 12.467 1.00 0.00 H new ATOM 0 HB THR A 123 -0.945 1.645 14.187 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.188 3.852 14.316 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.462 2.209 13.862 1.00 0.00 H new ATOM 0 HG22 THR A 123 0.974 0.837 12.838 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.160 2.458 12.126 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.703 3.875 12.239 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.313 5.109 11.669 1.00 0.00 C ATOM 1530 C GLY A 124 -2.293 5.778 10.749 1.00 0.00 C ATOM 1531 O GLY A 124 -1.471 6.564 11.177 1.00 0.00 O ATOM 0 H GLY A 124 -2.785 3.778 13.251 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.218 4.862 11.114 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.605 5.790 12.468 1.00 0.00 H new ATOM 1535 N PHE A 125 -2.331 5.450 9.491 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.357 6.036 8.530 1.00 0.00 C ATOM 1537 C PHE A 125 -1.368 7.561 8.654 1.00 0.00 C ATOM 1538 O PHE A 125 -2.325 8.085 9.201 1.00 0.00 O ATOM 1539 CB PHE A 125 -1.765 5.636 7.115 1.00 0.00 C ATOM 1540 CG PHE A 125 -0.546 5.236 6.327 1.00 0.00 C ATOM 1541 CD1 PHE A 125 0.378 6.201 5.912 1.00 0.00 C ATOM 1542 CD2 PHE A 125 -0.343 3.886 6.010 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.503 5.813 5.173 1.00 0.00 C ATOM 1544 CE2 PHE A 125 0.781 3.502 5.277 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.700 4.467 4.859 1.00 0.00 C ATOM 1546 OXT PHE A 125 -0.418 8.179 8.201 1.00 0.00 O ATOM 0 H PHE A 125 -2.999 4.796 9.083 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.354 5.668 8.747 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -2.474 4.809 7.151 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.270 6.467 6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.225 7.241 6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.057 3.142 6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.217 6.554 4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 125 0.940 2.462 5.034 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.568 4.170 4.289 1.00 0.00 H new TER 1556 PHE A 125