USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1081 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 Single : A 1 GLU N :NH3+ 156:sc=-0.00449 (180deg=-0.78) USER MOD Single : A 5 HIS : no HD1:sc= -0.504 X(o=-0.5,f=-0.17) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0145) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.77 X(o=-1.8,f=-2.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 19 ASN : amide:sc= -0.0301 K(o=-0.03,f=-2.4!) USER MOD Single : A 20 SER OG : rot -173:sc= 0.145 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0785 X(o=-0.078,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 71:sc= -0.638 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 90:sc= -2.68 USER MOD Single : A 40 SER OG : rot 54:sc= 1.15 USER MOD Single : A 41 LYS NZ :NH3+ -154:sc= -0.015 (180deg=-0.21) USER MOD Single : A 43 THR OG1 : rot 60:sc= -1.3 USER MOD Single : A 44 THR OG1 : rot 180:sc= -1 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 151:sc= -5.8! USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.471 X(o=-0.47,f=-0.054) USER MOD Single : A 63 HIS :FLIP no HE2:sc= -1.97 F(o=-4.1,f=-2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.0814 X(o=-0.081,f=-0.003) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 80 HIS : no HE2:sc= -3.59 K(o=-3.6,f=-9.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc=-0.00391 K(o=-0.0039,f=-1.9!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 101 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.005) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -105:sc= -0.693 (180deg=-2.77!) USER MOD Single : A 110 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.0605 K(o=-0.061,f=-2.2!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -90:sc= -1.45 USER MOD Single : A 124 MET CE :methyl -140:sc= -10.3! (180deg=-12.7!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 120:sc= -0.402 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -25.512 22.943 -0.608 1.00 10.99 N ATOM 2 CA GLU A 1 -24.184 22.334 -0.898 1.00 10.19 C ATOM 3 C GLU A 1 -23.478 22.004 0.419 1.00 9.21 C ATOM 4 O GLU A 1 -22.347 22.385 0.641 1.00 9.01 O ATOM 5 CB GLU A 1 -23.334 23.324 -1.700 1.00 10.89 C ATOM 6 CG GLU A 1 -23.520 24.734 -1.134 1.00 11.43 C ATOM 7 CD GLU A 1 -22.297 25.587 -1.477 1.00 11.71 C ATOM 8 OE1 GLU A 1 -21.639 25.279 -2.458 1.00 12.03 O ATOM 9 OE2 GLU A 1 -22.037 26.533 -0.751 1.00 11.74 O ATOM 0 H1 GLU A 1 -25.812 23.523 -1.417 1.00 10.99 H new ATOM 0 H2 GLU A 1 -26.211 22.190 -0.444 1.00 10.99 H new ATOM 0 H3 GLU A 1 -25.442 23.541 0.240 1.00 10.99 H new ATOM 0 HA GLU A 1 -24.320 21.420 -1.477 1.00 10.19 H new ATOM 0 HB2 GLU A 1 -22.283 23.038 -1.654 1.00 10.89 H new ATOM 0 HB3 GLU A 1 -23.625 23.301 -2.750 1.00 10.89 H new ATOM 0 HG2 GLU A 1 -24.421 25.188 -1.548 1.00 11.43 H new ATOM 0 HG3 GLU A 1 -23.654 24.689 -0.053 1.00 11.43 H new ATOM 18 N ALA A 2 -24.142 21.299 1.294 1.00 8.76 N ATOM 19 CA ALA A 2 -23.513 20.944 2.597 1.00 7.96 C ATOM 20 C ALA A 2 -23.752 19.462 2.894 1.00 7.26 C ATOM 21 O ALA A 2 -23.941 19.068 4.028 1.00 6.94 O ATOM 22 CB ALA A 2 -24.133 21.796 3.707 1.00 8.16 C ATOM 0 H ALA A 2 -25.093 20.954 1.163 1.00 8.76 H new ATOM 0 HA ALA A 2 -22.441 21.133 2.548 1.00 7.96 H new ATOM 0 HB1 ALA A 2 -23.675 21.539 4.662 1.00 8.16 H new ATOM 0 HB2 ALA A 2 -23.961 22.851 3.495 1.00 8.16 H new ATOM 0 HB3 ALA A 2 -25.205 21.606 3.756 1.00 8.16 H new ATOM 28 N GLU A 3 -23.743 18.636 1.883 1.00 7.12 N ATOM 29 CA GLU A 3 -23.971 17.180 2.106 1.00 6.43 C ATOM 30 C GLU A 3 -22.622 16.472 2.263 1.00 5.66 C ATOM 31 O GLU A 3 -21.583 17.100 2.320 1.00 5.94 O ATOM 32 CB GLU A 3 -24.722 16.593 0.909 1.00 6.79 C ATOM 33 CG GLU A 3 -26.229 16.657 1.172 1.00 7.31 C ATOM 34 CD GLU A 3 -26.942 17.201 -0.067 1.00 8.63 C ATOM 35 OE1 GLU A 3 -27.297 16.404 -0.920 1.00 8.98 O ATOM 36 OE2 GLU A 3 -27.121 18.406 -0.142 1.00 9.37 O ATOM 0 H GLU A 3 -23.588 18.907 0.912 1.00 7.12 H new ATOM 0 HA GLU A 3 -24.563 17.037 3.010 1.00 6.43 H new ATOM 0 HB2 GLU A 3 -24.476 17.148 0.004 1.00 6.79 H new ATOM 0 HB3 GLU A 3 -24.414 15.561 0.743 1.00 6.79 H new ATOM 0 HG2 GLU A 3 -26.608 15.665 1.416 1.00 7.31 H new ATOM 0 HG3 GLU A 3 -26.432 17.296 2.031 1.00 7.31 H new ATOM 43 N ALA A 4 -22.630 15.168 2.337 1.00 5.04 N ATOM 44 CA ALA A 4 -21.350 14.420 2.492 1.00 4.40 C ATOM 45 C ALA A 4 -21.534 12.982 1.998 1.00 4.07 C ATOM 46 O ALA A 4 -22.636 12.474 1.937 1.00 4.47 O ATOM 47 CB ALA A 4 -20.945 14.406 3.968 1.00 3.90 C ATOM 0 H ALA A 4 -23.468 14.589 2.297 1.00 5.04 H new ATOM 0 HA ALA A 4 -20.571 14.907 1.905 1.00 4.40 H new ATOM 0 HB1 ALA A 4 -20.009 13.859 4.083 1.00 3.90 H new ATOM 0 HB2 ALA A 4 -20.813 15.430 4.319 1.00 3.90 H new ATOM 0 HB3 ALA A 4 -21.724 13.919 4.554 1.00 3.90 H new ATOM 53 N HIS A 5 -20.464 12.321 1.642 1.00 3.58 N ATOM 54 CA HIS A 5 -20.580 10.917 1.154 1.00 3.31 C ATOM 55 C HIS A 5 -19.582 10.036 1.908 1.00 2.10 C ATOM 56 O HIS A 5 -18.934 10.473 2.838 1.00 1.71 O ATOM 57 CB HIS A 5 -20.268 10.871 -0.346 1.00 4.07 C ATOM 58 CG HIS A 5 -21.545 10.718 -1.130 1.00 4.81 C ATOM 59 ND1 HIS A 5 -21.549 10.362 -2.471 1.00 5.84 N ATOM 60 CD2 HIS A 5 -22.864 10.873 -0.781 1.00 4.90 C ATOM 61 CE1 HIS A 5 -22.832 10.314 -2.874 1.00 6.32 C ATOM 62 NE2 HIS A 5 -23.674 10.617 -1.883 1.00 5.77 N ATOM 0 H HIS A 5 -19.515 12.694 1.668 1.00 3.58 H new ATOM 0 HA HIS A 5 -21.593 10.553 1.326 1.00 3.31 H new ATOM 0 HB2 HIS A 5 -19.753 11.783 -0.647 1.00 4.07 H new ATOM 0 HB3 HIS A 5 -19.597 10.040 -0.562 1.00 4.07 H new ATOM 0 HD2 HIS A 5 -23.219 11.151 0.200 1.00 4.90 H new ATOM 0 HE1 HIS A 5 -23.143 10.061 -3.877 1.00 6.32 H new ATOM 0 HE2 HIS A 5 -24.693 10.653 -1.925 1.00 5.77 H new ATOM 70 N LYS A 6 -19.453 8.798 1.517 1.00 2.01 N ATOM 71 CA LYS A 6 -18.496 7.895 2.214 1.00 1.15 C ATOM 72 C LYS A 6 -17.790 7.010 1.188 1.00 1.36 C ATOM 73 O LYS A 6 -17.845 5.798 1.250 1.00 2.12 O ATOM 74 CB LYS A 6 -19.253 7.020 3.210 1.00 1.86 C ATOM 75 CG LYS A 6 -20.383 6.282 2.488 1.00 3.31 C ATOM 76 CD LYS A 6 -21.726 6.915 2.860 1.00 3.83 C ATOM 77 CE LYS A 6 -22.621 6.982 1.621 1.00 5.04 C ATOM 78 NZ LYS A 6 -23.050 5.606 1.243 1.00 5.83 N ATOM 0 H LYS A 6 -19.968 8.374 0.746 1.00 2.01 H new ATOM 0 HA LYS A 6 -17.756 8.492 2.747 1.00 1.15 H new ATOM 0 HB2 LYS A 6 -18.573 6.304 3.671 1.00 1.86 H new ATOM 0 HB3 LYS A 6 -19.661 7.634 4.013 1.00 1.86 H new ATOM 0 HG2 LYS A 6 -20.232 6.330 1.410 1.00 3.31 H new ATOM 0 HG3 LYS A 6 -20.377 5.227 2.764 1.00 3.31 H new ATOM 0 HD2 LYS A 6 -22.212 6.330 3.641 1.00 3.83 H new ATOM 0 HD3 LYS A 6 -21.569 7.916 3.263 1.00 3.83 H new ATOM 0 HE2 LYS A 6 -23.493 7.604 1.823 1.00 5.04 H new ATOM 0 HE3 LYS A 6 -22.082 7.446 0.795 1.00 5.04 H new ATOM 0 HZ1 LYS A 6 -23.738 5.658 0.465 1.00 5.83 H new ATOM 0 HZ2 LYS A 6 -22.222 5.056 0.937 1.00 5.83 H new ATOM 0 HZ3 LYS A 6 -23.490 5.142 2.063 1.00 5.83 H new ATOM 92 N CYS A 7 -17.125 7.614 0.246 1.00 1.12 N ATOM 93 CA CYS A 7 -16.405 6.821 -0.793 1.00 1.25 C ATOM 94 C CYS A 7 -15.675 7.770 -1.744 1.00 1.13 C ATOM 95 O CYS A 7 -14.581 7.493 -2.196 1.00 0.99 O ATOM 96 CB CYS A 7 -17.408 5.984 -1.592 1.00 1.63 C ATOM 97 SG CYS A 7 -16.679 5.536 -3.191 1.00 1.95 S ATOM 0 H CYS A 7 -17.047 8.626 0.148 1.00 1.12 H new ATOM 0 HA CYS A 7 -15.686 6.162 -0.306 1.00 1.25 H new ATOM 0 HB2 CYS A 7 -17.673 5.085 -1.036 1.00 1.63 H new ATOM 0 HB3 CYS A 7 -18.329 6.547 -1.744 1.00 1.63 H new ATOM 102 N ASP A 8 -16.276 8.883 -2.060 1.00 1.36 N ATOM 103 CA ASP A 8 -15.627 9.847 -2.991 1.00 1.36 C ATOM 104 C ASP A 8 -14.628 10.735 -2.237 1.00 0.81 C ATOM 105 O ASP A 8 -13.796 11.381 -2.836 1.00 1.22 O ATOM 106 CB ASP A 8 -16.702 10.729 -3.631 1.00 1.92 C ATOM 107 CG ASP A 8 -16.653 10.574 -5.152 1.00 2.60 C ATOM 108 OD1 ASP A 8 -17.333 9.697 -5.661 1.00 2.93 O ATOM 109 OD2 ASP A 8 -15.939 11.336 -5.783 1.00 3.23 O ATOM 0 H ASP A 8 -17.192 9.167 -1.712 1.00 1.36 H new ATOM 0 HA ASP A 8 -15.091 9.289 -3.759 1.00 1.36 H new ATOM 0 HB2 ASP A 8 -17.687 10.448 -3.258 1.00 1.92 H new ATOM 0 HB3 ASP A 8 -16.543 11.772 -3.356 1.00 1.92 H new ATOM 114 N ILE A 9 -14.706 10.799 -0.938 1.00 0.42 N ATOM 115 CA ILE A 9 -13.754 11.670 -0.192 1.00 0.65 C ATOM 116 C ILE A 9 -12.514 10.881 0.254 1.00 0.60 C ATOM 117 O ILE A 9 -11.416 11.112 -0.214 1.00 0.64 O ATOM 118 CB ILE A 9 -14.457 12.253 1.034 1.00 1.29 C ATOM 119 CG1 ILE A 9 -15.768 12.912 0.600 1.00 1.73 C ATOM 120 CG2 ILE A 9 -13.554 13.302 1.687 1.00 1.45 C ATOM 121 CD1 ILE A 9 -16.171 13.971 1.626 1.00 1.93 C ATOM 0 H ILE A 9 -15.380 10.292 -0.364 1.00 0.42 H new ATOM 0 HA ILE A 9 -13.428 12.472 -0.854 1.00 0.65 H new ATOM 0 HB ILE A 9 -14.666 11.457 1.748 1.00 1.29 H new ATOM 0 HG12 ILE A 9 -15.650 13.369 -0.383 1.00 1.73 H new ATOM 0 HG13 ILE A 9 -16.553 12.161 0.510 1.00 1.73 H new ATOM 0 HG21 ILE A 9 -14.054 13.719 2.561 1.00 1.45 H new ATOM 0 HG22 ILE A 9 -12.617 12.836 1.992 1.00 1.45 H new ATOM 0 HG23 ILE A 9 -13.347 14.099 0.973 1.00 1.45 H new ATOM 0 HD11 ILE A 9 -17.105 14.440 1.317 1.00 1.93 H new ATOM 0 HD12 ILE A 9 -16.306 13.501 2.600 1.00 1.93 H new ATOM 0 HD13 ILE A 9 -15.390 14.728 1.694 1.00 1.93 H new ATOM 133 N THR A 10 -12.679 9.979 1.184 1.00 0.64 N ATOM 134 CA THR A 10 -11.512 9.206 1.703 1.00 0.65 C ATOM 135 C THR A 10 -11.061 8.124 0.715 1.00 0.65 C ATOM 136 O THR A 10 -9.886 7.838 0.603 1.00 0.73 O ATOM 137 CB THR A 10 -11.907 8.540 3.022 1.00 0.68 C ATOM 138 OG1 THR A 10 -12.620 9.468 3.826 1.00 0.88 O ATOM 139 CG2 THR A 10 -10.650 8.081 3.761 1.00 0.59 C ATOM 0 H THR A 10 -13.576 9.743 1.609 1.00 0.64 H new ATOM 0 HA THR A 10 -10.683 9.899 1.847 1.00 0.65 H new ATOM 0 HB THR A 10 -12.540 7.677 2.817 1.00 0.68 H new ATOM 0 HG1 THR A 10 -12.875 9.041 4.671 1.00 0.88 H new ATOM 0 HG21 THR A 10 -10.933 7.607 4.701 1.00 0.59 H new ATOM 0 HG22 THR A 10 -10.105 7.367 3.144 1.00 0.59 H new ATOM 0 HG23 THR A 10 -10.014 8.942 3.966 1.00 0.59 H new ATOM 147 N LEU A 11 -11.968 7.498 0.020 1.00 0.61 N ATOM 148 CA LEU A 11 -11.546 6.419 -0.921 1.00 0.61 C ATOM 149 C LEU A 11 -10.932 7.018 -2.190 1.00 0.52 C ATOM 150 O LEU A 11 -10.039 6.444 -2.780 1.00 0.53 O ATOM 151 CB LEU A 11 -12.746 5.539 -1.281 1.00 0.63 C ATOM 152 CG LEU A 11 -12.363 4.065 -1.094 1.00 0.69 C ATOM 153 CD1 LEU A 11 -12.019 3.801 0.374 1.00 0.48 C ATOM 154 CD2 LEU A 11 -13.533 3.170 -1.507 1.00 1.16 C ATOM 0 H LEU A 11 -12.971 7.681 0.060 1.00 0.61 H new ATOM 0 HA LEU A 11 -10.790 5.807 -0.429 1.00 0.61 H new ATOM 0 HB2 LEU A 11 -13.598 5.789 -0.649 1.00 0.63 H new ATOM 0 HB3 LEU A 11 -13.049 5.721 -2.312 1.00 0.63 H new ATOM 0 HG LEU A 11 -11.496 3.842 -1.716 1.00 0.69 H new ATOM 0 HD11 LEU A 11 -11.748 2.753 0.501 1.00 0.48 H new ATOM 0 HD12 LEU A 11 -11.181 4.431 0.670 1.00 0.48 H new ATOM 0 HD13 LEU A 11 -12.883 4.030 0.997 1.00 0.48 H new ATOM 0 HD21 LEU A 11 -13.256 2.124 -1.373 1.00 1.16 H new ATOM 0 HD22 LEU A 11 -14.401 3.398 -0.889 1.00 1.16 H new ATOM 0 HD23 LEU A 11 -13.776 3.349 -2.554 1.00 1.16 H new ATOM 166 N GLN A 12 -11.385 8.163 -2.622 1.00 0.43 N ATOM 167 CA GLN A 12 -10.793 8.763 -3.853 1.00 0.34 C ATOM 168 C GLN A 12 -9.404 9.312 -3.523 1.00 0.43 C ATOM 169 O GLN A 12 -8.472 9.162 -4.286 1.00 0.42 O ATOM 170 CB GLN A 12 -11.705 9.877 -4.385 1.00 0.36 C ATOM 171 CG GLN A 12 -11.087 11.260 -4.132 1.00 0.77 C ATOM 172 CD GLN A 12 -12.030 12.339 -4.668 1.00 1.18 C ATOM 173 OE1 GLN A 12 -12.363 13.275 -3.969 1.00 2.40 O ATOM 174 NE2 GLN A 12 -12.480 12.245 -5.890 1.00 0.72 N ATOM 0 H GLN A 12 -12.130 8.704 -2.183 1.00 0.43 H new ATOM 0 HA GLN A 12 -10.701 8.002 -4.627 1.00 0.34 H new ATOM 0 HB2 GLN A 12 -11.870 9.738 -5.453 1.00 0.36 H new ATOM 0 HB3 GLN A 12 -12.680 9.816 -3.901 1.00 0.36 H new ATOM 0 HG2 GLN A 12 -10.917 11.406 -3.065 1.00 0.77 H new ATOM 0 HG3 GLN A 12 -10.116 11.333 -4.622 1.00 0.77 H new ATOM 0 HE21 GLN A 12 -12.201 11.459 -6.477 1.00 0.72 H new ATOM 0 HE22 GLN A 12 -13.111 12.957 -6.257 1.00 0.72 H new ATOM 183 N GLU A 13 -9.254 9.939 -2.389 1.00 0.57 N ATOM 184 CA GLU A 13 -7.917 10.480 -2.019 1.00 0.68 C ATOM 185 C GLU A 13 -6.960 9.310 -1.784 1.00 0.63 C ATOM 186 O GLU A 13 -5.780 9.389 -2.062 1.00 0.67 O ATOM 187 CB GLU A 13 -8.036 11.315 -0.741 1.00 0.82 C ATOM 188 CG GLU A 13 -8.160 12.796 -1.109 1.00 1.26 C ATOM 189 CD GLU A 13 -6.806 13.483 -0.919 1.00 0.28 C ATOM 190 OE1 GLU A 13 -5.804 12.881 -1.266 1.00 1.20 O ATOM 191 OE2 GLU A 13 -6.796 14.601 -0.430 1.00 1.16 O ATOM 0 H GLU A 13 -9.995 10.099 -1.706 1.00 0.57 H new ATOM 0 HA GLU A 13 -7.537 11.112 -2.822 1.00 0.68 H new ATOM 0 HB2 GLU A 13 -8.906 10.998 -0.166 1.00 0.82 H new ATOM 0 HB3 GLU A 13 -7.162 11.158 -0.109 1.00 0.82 H new ATOM 0 HG2 GLU A 13 -8.490 12.899 -2.143 1.00 1.26 H new ATOM 0 HG3 GLU A 13 -8.914 13.275 -0.484 1.00 1.26 H new ATOM 198 N ILE A 14 -7.469 8.218 -1.280 1.00 0.57 N ATOM 199 CA ILE A 14 -6.604 7.031 -1.032 1.00 0.52 C ATOM 200 C ILE A 14 -6.207 6.407 -2.374 1.00 0.47 C ATOM 201 O ILE A 14 -5.155 5.815 -2.505 1.00 0.45 O ATOM 202 CB ILE A 14 -7.384 6.008 -0.197 1.00 0.50 C ATOM 203 CG1 ILE A 14 -6.833 5.987 1.230 1.00 0.54 C ATOM 204 CG2 ILE A 14 -7.250 4.612 -0.813 1.00 0.41 C ATOM 205 CD1 ILE A 14 -7.965 5.654 2.205 1.00 0.65 C ATOM 0 H ILE A 14 -8.450 8.098 -1.029 1.00 0.57 H new ATOM 0 HA ILE A 14 -5.705 7.331 -0.493 1.00 0.52 H new ATOM 0 HB ILE A 14 -8.436 6.292 -0.182 1.00 0.50 H new ATOM 0 HG12 ILE A 14 -6.036 5.248 1.314 1.00 0.54 H new ATOM 0 HG13 ILE A 14 -6.397 6.955 1.478 1.00 0.54 H new ATOM 0 HG21 ILE A 14 -7.808 3.894 -0.212 1.00 0.41 H new ATOM 0 HG22 ILE A 14 -7.648 4.622 -1.828 1.00 0.41 H new ATOM 0 HG23 ILE A 14 -6.199 4.325 -0.838 1.00 0.41 H new ATOM 0 HD11 ILE A 14 -7.576 5.638 3.223 1.00 0.65 H new ATOM 0 HD12 ILE A 14 -8.746 6.410 2.127 1.00 0.65 H new ATOM 0 HD13 ILE A 14 -8.380 4.676 1.960 1.00 0.65 H new ATOM 217 N ILE A 15 -7.045 6.532 -3.369 1.00 0.45 N ATOM 218 CA ILE A 15 -6.720 5.945 -4.699 1.00 0.41 C ATOM 219 C ILE A 15 -5.571 6.726 -5.337 1.00 0.44 C ATOM 220 O ILE A 15 -4.658 6.157 -5.903 1.00 0.42 O ATOM 221 CB ILE A 15 -7.953 6.026 -5.601 1.00 0.37 C ATOM 222 CG1 ILE A 15 -8.954 4.944 -5.194 1.00 0.63 C ATOM 223 CG2 ILE A 15 -7.537 5.809 -7.057 1.00 0.34 C ATOM 224 CD1 ILE A 15 -10.367 5.391 -5.570 1.00 0.86 C ATOM 0 H ILE A 15 -7.941 7.016 -3.317 1.00 0.45 H new ATOM 0 HA ILE A 15 -6.424 4.903 -4.575 1.00 0.41 H new ATOM 0 HB ILE A 15 -8.414 7.008 -5.496 1.00 0.37 H new ATOM 0 HG12 ILE A 15 -8.713 4.005 -5.692 1.00 0.63 H new ATOM 0 HG13 ILE A 15 -8.892 4.761 -4.121 1.00 0.63 H new ATOM 0 HG21 ILE A 15 -8.416 5.867 -7.699 1.00 0.34 H new ATOM 0 HG22 ILE A 15 -6.823 6.578 -7.350 1.00 0.34 H new ATOM 0 HG23 ILE A 15 -7.076 4.827 -7.161 1.00 0.34 H new ATOM 0 HD11 ILE A 15 -11.082 4.620 -5.280 1.00 0.86 H new ATOM 0 HD12 ILE A 15 -10.605 6.320 -5.051 1.00 0.86 H new ATOM 0 HD13 ILE A 15 -10.423 5.552 -6.647 1.00 0.86 H new ATOM 236 N LYS A 16 -5.612 8.027 -5.255 1.00 0.50 N ATOM 237 CA LYS A 16 -4.527 8.848 -5.860 1.00 0.56 C ATOM 238 C LYS A 16 -3.196 8.524 -5.178 1.00 0.57 C ATOM 239 O LYS A 16 -2.186 8.331 -5.825 1.00 0.56 O ATOM 240 CB LYS A 16 -4.848 10.333 -5.670 1.00 0.62 C ATOM 241 CG LYS A 16 -5.134 10.971 -7.030 1.00 0.39 C ATOM 242 CD LYS A 16 -6.304 11.947 -6.901 1.00 0.83 C ATOM 243 CE LYS A 16 -7.611 11.223 -7.226 1.00 1.49 C ATOM 244 NZ LYS A 16 -8.531 12.157 -7.936 1.00 1.89 N ATOM 0 H LYS A 16 -6.351 8.557 -4.794 1.00 0.50 H new ATOM 0 HA LYS A 16 -4.452 8.623 -6.924 1.00 0.56 H new ATOM 0 HB2 LYS A 16 -5.711 10.448 -5.014 1.00 0.62 H new ATOM 0 HB3 LYS A 16 -4.011 10.838 -5.188 1.00 0.62 H new ATOM 0 HG2 LYS A 16 -4.249 11.494 -7.391 1.00 0.39 H new ATOM 0 HG3 LYS A 16 -5.370 10.199 -7.763 1.00 0.39 H new ATOM 0 HD2 LYS A 16 -6.343 12.353 -5.890 1.00 0.83 H new ATOM 0 HD3 LYS A 16 -6.165 12.790 -7.578 1.00 0.83 H new ATOM 0 HE2 LYS A 16 -7.411 10.350 -7.847 1.00 1.49 H new ATOM 0 HE3 LYS A 16 -8.077 10.862 -6.309 1.00 1.49 H new ATOM 0 HZ1 LYS A 16 -9.421 11.666 -8.158 1.00 1.89 H new ATOM 0 HZ2 LYS A 16 -8.730 12.977 -7.328 1.00 1.89 H new ATOM 0 HZ3 LYS A 16 -8.085 12.480 -8.818 1.00 1.89 H new ATOM 258 N THR A 17 -3.189 8.467 -3.876 1.00 0.59 N ATOM 259 CA THR A 17 -1.926 8.160 -3.147 1.00 0.60 C ATOM 260 C THR A 17 -1.393 6.795 -3.588 1.00 0.52 C ATOM 261 O THR A 17 -0.206 6.615 -3.790 1.00 0.50 O ATOM 262 CB THR A 17 -2.198 8.139 -1.642 1.00 0.60 C ATOM 263 OG1 THR A 17 -3.115 9.174 -1.313 1.00 0.73 O ATOM 264 CG2 THR A 17 -0.889 8.353 -0.880 1.00 0.65 C ATOM 0 H THR A 17 -4.005 8.620 -3.283 1.00 0.59 H new ATOM 0 HA THR A 17 -1.185 8.926 -3.373 1.00 0.60 H new ATOM 0 HB THR A 17 -2.623 7.175 -1.364 1.00 0.60 H new ATOM 0 HG1 THR A 17 -3.291 9.161 -0.349 1.00 0.73 H new ATOM 0 HG21 THR A 17 -1.085 8.338 0.192 1.00 0.65 H new ATOM 0 HG22 THR A 17 -0.187 7.558 -1.132 1.00 0.65 H new ATOM 0 HG23 THR A 17 -0.460 9.316 -1.157 1.00 0.65 H new ATOM 272 N LEU A 18 -2.257 5.828 -3.737 1.00 0.48 N ATOM 273 CA LEU A 18 -1.795 4.477 -4.160 1.00 0.41 C ATOM 274 C LEU A 18 -1.097 4.579 -5.519 1.00 0.43 C ATOM 275 O LEU A 18 -0.126 3.898 -5.782 1.00 0.36 O ATOM 276 CB LEU A 18 -2.991 3.534 -4.268 1.00 0.42 C ATOM 277 CG LEU A 18 -2.488 2.095 -4.452 1.00 0.14 C ATOM 278 CD1 LEU A 18 -3.061 1.196 -3.355 1.00 1.81 C ATOM 279 CD2 LEU A 18 -2.920 1.563 -5.821 1.00 1.92 C ATOM 0 H LEU A 18 -3.262 5.916 -3.584 1.00 0.48 H new ATOM 0 HA LEU A 18 -1.096 4.086 -3.421 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -3.606 3.604 -3.371 1.00 0.42 H new ATOM 0 HB3 LEU A 18 -3.621 3.822 -5.110 1.00 0.42 H new ATOM 0 HG LEU A 18 -1.400 2.093 -4.389 1.00 0.14 H new ATOM 0 HD11 LEU A 18 -2.699 0.177 -3.493 1.00 1.81 H new ATOM 0 HD12 LEU A 18 -2.743 1.565 -2.380 1.00 1.81 H new ATOM 0 HD13 LEU A 18 -4.150 1.205 -3.409 1.00 1.81 H new ATOM 0 HD21 LEU A 18 -2.560 0.542 -5.945 1.00 1.92 H new ATOM 0 HD22 LEU A 18 -4.008 1.575 -5.889 1.00 1.92 H new ATOM 0 HD23 LEU A 18 -2.500 2.193 -6.605 1.00 1.92 H new ATOM 291 N ASN A 19 -1.588 5.423 -6.386 1.00 0.57 N ATOM 292 CA ASN A 19 -0.957 5.568 -7.729 1.00 0.63 C ATOM 293 C ASN A 19 0.381 6.301 -7.596 1.00 0.62 C ATOM 294 O ASN A 19 1.276 6.126 -8.398 1.00 0.68 O ATOM 295 CB ASN A 19 -1.884 6.374 -8.643 1.00 0.74 C ATOM 296 CG ASN A 19 -1.438 6.211 -10.098 1.00 0.58 C ATOM 297 OD1 ASN A 19 -0.791 5.244 -10.442 1.00 0.46 O ATOM 298 ND2 ASN A 19 -1.759 7.126 -10.972 1.00 1.27 N ATOM 0 H ASN A 19 -2.400 6.019 -6.222 1.00 0.57 H new ATOM 0 HA ASN A 19 -0.788 4.579 -8.155 1.00 0.63 H new ATOM 0 HB2 ASN A 19 -2.913 6.033 -8.527 1.00 0.74 H new ATOM 0 HB3 ASN A 19 -1.864 7.427 -8.361 1.00 0.74 H new ATOM 0 HD21 ASN A 19 -1.466 7.028 -11.944 1.00 1.27 H new ATOM 0 HD22 ASN A 19 -2.303 7.939 -10.683 1.00 1.27 H new ATOM 305 N SER A 20 0.525 7.125 -6.595 1.00 0.59 N ATOM 306 CA SER A 20 1.805 7.868 -6.421 1.00 0.58 C ATOM 307 C SER A 20 2.929 6.885 -6.082 1.00 0.48 C ATOM 308 O SER A 20 4.024 6.984 -6.595 1.00 0.43 O ATOM 309 CB SER A 20 1.656 8.887 -5.292 1.00 0.59 C ATOM 310 OG SER A 20 0.935 10.016 -5.770 1.00 1.15 O ATOM 0 H SER A 20 -0.188 7.316 -5.891 1.00 0.59 H new ATOM 0 HA SER A 20 2.049 8.388 -7.347 1.00 0.58 H new ATOM 0 HB2 SER A 20 1.133 8.438 -4.448 1.00 0.59 H new ATOM 0 HB3 SER A 20 2.638 9.194 -4.932 1.00 0.59 H new ATOM 0 HG SER A 20 0.936 10.718 -5.086 1.00 1.15 H new ATOM 316 N LEU A 21 2.668 5.939 -5.222 1.00 0.48 N ATOM 317 CA LEU A 21 3.729 4.953 -4.855 1.00 0.39 C ATOM 318 C LEU A 21 4.040 4.028 -6.044 1.00 0.42 C ATOM 319 O LEU A 21 4.996 3.279 -6.014 1.00 0.37 O ATOM 320 CB LEU A 21 3.255 4.104 -3.672 1.00 0.41 C ATOM 321 CG LEU A 21 3.331 4.925 -2.383 1.00 0.53 C ATOM 322 CD1 LEU A 21 2.453 4.275 -1.313 1.00 0.65 C ATOM 323 CD2 LEU A 21 4.778 4.968 -1.891 1.00 0.92 C ATOM 0 H LEU A 21 1.770 5.805 -4.758 1.00 0.48 H new ATOM 0 HA LEU A 21 4.632 5.500 -4.583 1.00 0.39 H new ATOM 0 HB2 LEU A 21 2.232 3.768 -3.840 1.00 0.41 H new ATOM 0 HB3 LEU A 21 3.873 3.211 -3.582 1.00 0.41 H new ATOM 0 HG LEU A 21 2.981 5.939 -2.578 1.00 0.53 H new ATOM 0 HD11 LEU A 21 2.506 4.859 -0.394 1.00 0.65 H new ATOM 0 HD12 LEU A 21 1.421 4.240 -1.661 1.00 0.65 H new ATOM 0 HD13 LEU A 21 2.805 3.262 -1.120 1.00 0.65 H new ATOM 0 HD21 LEU A 21 4.833 5.553 -0.973 1.00 0.92 H new ATOM 0 HD22 LEU A 21 5.127 3.954 -1.697 1.00 0.92 H new ATOM 0 HD23 LEU A 21 5.408 5.428 -2.652 1.00 0.92 H new ATOM 335 N THR A 22 3.245 4.059 -7.087 1.00 0.54 N ATOM 336 CA THR A 22 3.515 3.165 -8.253 1.00 0.59 C ATOM 337 C THR A 22 4.489 3.831 -9.238 1.00 0.63 C ATOM 338 O THR A 22 4.972 3.199 -10.157 1.00 0.60 O ATOM 339 CB THR A 22 2.198 2.855 -8.971 1.00 0.69 C ATOM 340 OG1 THR A 22 2.211 1.507 -9.420 1.00 0.97 O ATOM 341 CG2 THR A 22 2.026 3.791 -10.169 1.00 2.18 C ATOM 0 H THR A 22 2.427 4.661 -7.180 1.00 0.54 H new ATOM 0 HA THR A 22 3.967 2.243 -7.887 1.00 0.59 H new ATOM 0 HB THR A 22 1.368 3.003 -8.280 1.00 0.69 H new ATOM 0 HG1 THR A 22 1.368 1.307 -9.878 1.00 0.97 H new ATOM 0 HG21 THR A 22 1.087 3.565 -10.675 1.00 2.18 H new ATOM 0 HG22 THR A 22 2.013 4.825 -9.824 1.00 2.18 H new ATOM 0 HG23 THR A 22 2.855 3.651 -10.862 1.00 2.18 H new ATOM 349 N GLU A 23 4.781 5.096 -9.067 1.00 0.70 N ATOM 350 CA GLU A 23 5.719 5.775 -10.009 1.00 0.76 C ATOM 351 C GLU A 23 7.034 4.991 -10.083 1.00 0.82 C ATOM 352 O GLU A 23 7.681 4.943 -11.110 1.00 0.99 O ATOM 353 CB GLU A 23 5.990 7.202 -9.521 1.00 0.62 C ATOM 354 CG GLU A 23 7.257 7.227 -8.663 1.00 1.63 C ATOM 355 CD GLU A 23 7.372 8.585 -7.967 1.00 2.37 C ATOM 356 OE1 GLU A 23 6.489 8.907 -7.189 1.00 3.08 O ATOM 357 OE2 GLU A 23 8.339 9.282 -8.226 1.00 2.60 O ATOM 0 H GLU A 23 4.412 5.684 -8.320 1.00 0.70 H new ATOM 0 HA GLU A 23 5.271 5.814 -11.002 1.00 0.76 H new ATOM 0 HB2 GLU A 23 6.104 7.872 -10.373 1.00 0.62 H new ATOM 0 HB3 GLU A 23 5.141 7.565 -8.942 1.00 0.62 H new ATOM 0 HG2 GLU A 23 7.224 6.428 -7.922 1.00 1.63 H new ATOM 0 HG3 GLU A 23 8.134 7.049 -9.285 1.00 1.63 H new ATOM 364 N GLN A 24 7.430 4.375 -9.004 1.00 0.73 N ATOM 365 CA GLN A 24 8.699 3.591 -9.015 1.00 0.89 C ATOM 366 C GLN A 24 8.429 2.186 -8.476 1.00 0.79 C ATOM 367 O GLN A 24 8.783 1.856 -7.363 1.00 0.74 O ATOM 368 CB GLN A 24 9.735 4.284 -8.131 1.00 0.93 C ATOM 369 CG GLN A 24 11.138 4.014 -8.682 1.00 1.25 C ATOM 370 CD GLN A 24 11.592 5.200 -9.535 1.00 2.28 C ATOM 371 OE1 GLN A 24 11.807 5.063 -10.723 1.00 3.47 O ATOM 372 NE2 GLN A 24 11.749 6.369 -8.975 1.00 2.19 N ATOM 0 H GLN A 24 6.931 4.380 -8.115 1.00 0.73 H new ATOM 0 HA GLN A 24 9.079 3.526 -10.035 1.00 0.89 H new ATOM 0 HB2 GLN A 24 9.544 5.357 -8.102 1.00 0.93 H new ATOM 0 HB3 GLN A 24 9.658 3.918 -7.107 1.00 0.93 H new ATOM 0 HG2 GLN A 24 11.837 3.855 -7.861 1.00 1.25 H new ATOM 0 HG3 GLN A 24 11.136 3.103 -9.280 1.00 1.25 H new ATOM 0 HE21 GLN A 24 11.569 6.485 -7.978 1.00 2.19 H new ATOM 0 HE22 GLN A 24 12.052 7.166 -9.535 1.00 2.19 H new ATOM 381 N LYS A 25 7.800 1.359 -9.260 1.00 0.79 N ATOM 382 CA LYS A 25 7.499 -0.025 -8.799 1.00 0.73 C ATOM 383 C LYS A 25 8.351 -1.026 -9.583 1.00 0.76 C ATOM 384 O LYS A 25 7.842 -1.962 -10.168 1.00 0.86 O ATOM 385 CB LYS A 25 6.017 -0.329 -9.026 1.00 0.80 C ATOM 386 CG LYS A 25 5.657 -0.066 -10.490 1.00 1.67 C ATOM 387 CD LYS A 25 4.480 -0.956 -10.894 1.00 2.21 C ATOM 388 CE LYS A 25 5.008 -2.274 -11.463 1.00 2.62 C ATOM 389 NZ LYS A 25 3.876 -3.226 -11.643 1.00 3.48 N ATOM 0 H LYS A 25 7.480 1.581 -10.203 1.00 0.79 H new ATOM 0 HA LYS A 25 7.729 -0.109 -7.737 1.00 0.73 H new ATOM 0 HB2 LYS A 25 5.805 -1.367 -8.770 1.00 0.80 H new ATOM 0 HB3 LYS A 25 5.404 0.292 -8.373 1.00 0.80 H new ATOM 0 HG2 LYS A 25 5.397 0.984 -10.629 1.00 1.67 H new ATOM 0 HG3 LYS A 25 6.516 -0.269 -11.129 1.00 1.67 H new ATOM 0 HD2 LYS A 25 3.844 -1.150 -10.030 1.00 2.21 H new ATOM 0 HD3 LYS A 25 3.864 -0.448 -11.636 1.00 2.21 H new ATOM 0 HE2 LYS A 25 5.504 -2.098 -12.417 1.00 2.62 H new ATOM 0 HE3 LYS A 25 5.752 -2.700 -10.791 1.00 2.62 H new ATOM 0 HZ1 LYS A 25 4.234 -4.122 -12.030 1.00 3.48 H new ATOM 0 HZ2 LYS A 25 3.421 -3.403 -10.724 1.00 3.48 H new ATOM 0 HZ3 LYS A 25 3.181 -2.819 -12.301 1.00 3.48 H new ATOM 403 N THR A 26 9.643 -0.842 -9.598 1.00 0.80 N ATOM 404 CA THR A 26 10.519 -1.790 -10.342 1.00 0.83 C ATOM 405 C THR A 26 11.828 -1.982 -9.576 1.00 0.82 C ATOM 406 O THR A 26 12.272 -3.092 -9.359 1.00 0.78 O ATOM 407 CB THR A 26 10.817 -1.233 -11.737 1.00 0.94 C ATOM 408 OG1 THR A 26 12.194 -1.424 -12.036 1.00 1.62 O ATOM 409 CG2 THR A 26 10.485 0.260 -11.779 1.00 2.01 C ATOM 0 H THR A 26 10.129 -0.078 -9.128 1.00 0.80 H new ATOM 0 HA THR A 26 10.011 -2.749 -10.440 1.00 0.83 H new ATOM 0 HB THR A 26 10.208 -1.756 -12.474 1.00 0.94 H new ATOM 0 HG1 THR A 26 12.387 -1.070 -12.929 1.00 1.62 H new ATOM 0 HG21 THR A 26 10.698 0.652 -12.773 1.00 2.01 H new ATOM 0 HG22 THR A 26 9.429 0.404 -11.551 1.00 2.01 H new ATOM 0 HG23 THR A 26 11.091 0.788 -11.043 1.00 2.01 H new ATOM 417 N LEU A 27 12.448 -0.913 -9.163 1.00 0.86 N ATOM 418 CA LEU A 27 13.726 -1.040 -8.407 1.00 0.86 C ATOM 419 C LEU A 27 13.418 -1.297 -6.933 1.00 0.81 C ATOM 420 O LEU A 27 13.955 -2.202 -6.326 1.00 0.82 O ATOM 421 CB LEU A 27 14.531 0.255 -8.551 1.00 0.93 C ATOM 422 CG LEU A 27 16.025 -0.056 -8.455 1.00 0.68 C ATOM 423 CD1 LEU A 27 16.529 -0.572 -9.804 1.00 1.15 C ATOM 424 CD2 LEU A 27 16.786 1.218 -8.081 1.00 1.34 C ATOM 0 H LEU A 27 12.126 0.043 -9.316 1.00 0.86 H new ATOM 0 HA LEU A 27 14.308 -1.872 -8.804 1.00 0.86 H new ATOM 0 HB2 LEU A 27 14.309 0.729 -9.507 1.00 0.93 H new ATOM 0 HB3 LEU A 27 14.245 0.961 -7.771 1.00 0.93 H new ATOM 0 HG LEU A 27 16.189 -0.817 -7.692 1.00 0.68 H new ATOM 0 HD11 LEU A 27 17.594 -0.793 -9.734 1.00 1.15 H new ATOM 0 HD12 LEU A 27 15.987 -1.479 -10.072 1.00 1.15 H new ATOM 0 HD13 LEU A 27 16.366 0.188 -10.568 1.00 1.15 H new ATOM 0 HD21 LEU A 27 17.851 0.998 -8.012 1.00 1.34 H new ATOM 0 HD22 LEU A 27 16.621 1.978 -8.845 1.00 1.34 H new ATOM 0 HD23 LEU A 27 16.428 1.586 -7.119 1.00 1.34 H new ATOM 436 N CYS A 28 12.551 -0.517 -6.355 1.00 0.77 N ATOM 437 CA CYS A 28 12.203 -0.729 -4.921 1.00 0.74 C ATOM 438 C CYS A 28 11.256 -1.929 -4.784 1.00 0.67 C ATOM 439 O CYS A 28 11.002 -2.401 -3.695 1.00 0.68 O ATOM 440 CB CYS A 28 11.534 0.525 -4.358 1.00 0.76 C ATOM 441 SG CYS A 28 12.336 0.981 -2.799 1.00 0.60 S ATOM 0 H CYS A 28 12.068 0.257 -6.811 1.00 0.77 H new ATOM 0 HA CYS A 28 13.116 -0.930 -4.360 1.00 0.74 H new ATOM 0 HB2 CYS A 28 11.610 1.344 -5.073 1.00 0.76 H new ATOM 0 HB3 CYS A 28 10.472 0.343 -4.194 1.00 0.76 H new ATOM 446 N THR A 29 10.741 -2.440 -5.875 1.00 0.62 N ATOM 447 CA THR A 29 9.833 -3.616 -5.784 1.00 0.55 C ATOM 448 C THR A 29 10.654 -4.912 -5.854 1.00 0.47 C ATOM 449 O THR A 29 10.109 -5.988 -5.994 1.00 0.49 O ATOM 450 CB THR A 29 8.841 -3.590 -6.946 1.00 0.60 C ATOM 451 OG1 THR A 29 9.550 -3.441 -8.166 1.00 0.61 O ATOM 452 CG2 THR A 29 7.873 -2.422 -6.765 1.00 0.69 C ATOM 0 H THR A 29 10.911 -2.093 -6.819 1.00 0.62 H new ATOM 0 HA THR A 29 9.293 -3.576 -4.838 1.00 0.55 H new ATOM 0 HB THR A 29 8.277 -4.523 -6.967 1.00 0.60 H new ATOM 0 HG1 THR A 29 10.035 -4.269 -8.366 1.00 0.61 H new ATOM 0 HG21 THR A 29 7.166 -2.404 -7.594 1.00 0.69 H new ATOM 0 HG22 THR A 29 7.330 -2.541 -5.827 1.00 0.69 H new ATOM 0 HG23 THR A 29 8.432 -1.486 -6.744 1.00 0.69 H new ATOM 460 N GLU A 30 11.960 -4.826 -5.762 1.00 0.42 N ATOM 461 CA GLU A 30 12.793 -6.057 -5.829 1.00 0.39 C ATOM 462 C GLU A 30 13.000 -6.605 -4.410 1.00 0.44 C ATOM 463 O GLU A 30 14.105 -6.886 -3.989 1.00 0.81 O ATOM 464 CB GLU A 30 14.142 -5.714 -6.472 1.00 0.45 C ATOM 465 CG GLU A 30 14.156 -6.228 -7.912 1.00 1.67 C ATOM 466 CD GLU A 30 14.711 -7.653 -7.937 1.00 2.16 C ATOM 467 OE1 GLU A 30 14.291 -8.446 -7.110 1.00 2.76 O ATOM 468 OE2 GLU A 30 15.546 -7.929 -8.783 1.00 2.46 O ATOM 0 H GLU A 30 12.479 -3.956 -5.644 1.00 0.42 H new ATOM 0 HA GLU A 30 12.295 -6.817 -6.431 1.00 0.39 H new ATOM 0 HB2 GLU A 30 14.303 -4.636 -6.456 1.00 0.45 H new ATOM 0 HB3 GLU A 30 14.955 -6.166 -5.904 1.00 0.45 H new ATOM 0 HG2 GLU A 30 13.148 -6.211 -8.326 1.00 1.67 H new ATOM 0 HG3 GLU A 30 14.768 -5.577 -8.536 1.00 1.67 H new ATOM 475 N LEU A 31 11.929 -6.774 -3.681 1.00 0.38 N ATOM 476 CA LEU A 31 12.023 -7.314 -2.298 1.00 0.35 C ATOM 477 C LEU A 31 10.711 -8.029 -1.977 1.00 0.42 C ATOM 478 O LEU A 31 9.722 -7.410 -1.641 1.00 1.12 O ATOM 479 CB LEU A 31 12.264 -6.185 -1.285 1.00 0.44 C ATOM 480 CG LEU A 31 11.349 -4.987 -1.572 1.00 1.76 C ATOM 481 CD1 LEU A 31 10.305 -4.862 -0.459 1.00 2.38 C ATOM 482 CD2 LEU A 31 12.194 -3.712 -1.611 1.00 2.65 C ATOM 0 H LEU A 31 10.982 -6.557 -3.991 1.00 0.38 H new ATOM 0 HA LEU A 31 12.863 -8.006 -2.232 1.00 0.35 H new ATOM 0 HB2 LEU A 31 12.083 -6.552 -0.275 1.00 0.44 H new ATOM 0 HB3 LEU A 31 13.307 -5.870 -1.327 1.00 0.44 H new ATOM 0 HG LEU A 31 10.847 -5.132 -2.528 1.00 1.76 H new ATOM 0 HD11 LEU A 31 9.655 -4.011 -0.663 1.00 2.38 H new ATOM 0 HD12 LEU A 31 9.707 -5.773 -0.417 1.00 2.38 H new ATOM 0 HD13 LEU A 31 10.808 -4.713 0.497 1.00 2.38 H new ATOM 0 HD21 LEU A 31 11.551 -2.856 -1.815 1.00 2.65 H new ATOM 0 HD22 LEU A 31 12.689 -3.574 -0.650 1.00 2.65 H new ATOM 0 HD23 LEU A 31 12.945 -3.797 -2.397 1.00 2.65 H new ATOM 494 N THR A 32 10.709 -9.329 -2.117 1.00 0.56 N ATOM 495 CA THR A 32 9.481 -10.149 -1.862 1.00 0.41 C ATOM 496 C THR A 32 8.736 -9.678 -0.608 1.00 0.37 C ATOM 497 O THR A 32 9.269 -8.975 0.228 1.00 0.64 O ATOM 498 CB THR A 32 9.892 -11.613 -1.682 1.00 0.40 C ATOM 499 OG1 THR A 32 10.873 -11.705 -0.657 1.00 0.38 O ATOM 500 CG2 THR A 32 10.468 -12.146 -2.995 1.00 0.35 C ATOM 0 H THR A 32 11.524 -9.871 -2.404 1.00 0.56 H new ATOM 0 HA THR A 32 8.811 -10.036 -2.714 1.00 0.41 H new ATOM 0 HB THR A 32 9.021 -12.206 -1.404 1.00 0.40 H new ATOM 0 HG1 THR A 32 11.136 -12.642 -0.539 1.00 0.38 H new ATOM 0 HG21 THR A 32 10.761 -13.188 -2.867 1.00 0.35 H new ATOM 0 HG22 THR A 32 9.714 -12.074 -3.779 1.00 0.35 H new ATOM 0 HG23 THR A 32 11.340 -11.556 -3.276 1.00 0.35 H new ATOM 508 N VAL A 33 7.496 -10.075 -0.481 1.00 0.31 N ATOM 509 CA VAL A 33 6.677 -9.679 0.701 1.00 0.26 C ATOM 510 C VAL A 33 5.563 -10.708 0.871 1.00 0.19 C ATOM 511 O VAL A 33 5.527 -11.714 0.189 1.00 0.36 O ATOM 512 CB VAL A 33 6.063 -8.296 0.465 1.00 0.26 C ATOM 513 CG1 VAL A 33 7.158 -7.228 0.518 1.00 0.23 C ATOM 514 CG2 VAL A 33 5.387 -8.269 -0.908 1.00 0.39 C ATOM 0 H VAL A 33 7.011 -10.665 -1.157 1.00 0.31 H new ATOM 0 HA VAL A 33 7.300 -9.640 1.595 1.00 0.26 H new ATOM 0 HB VAL A 33 5.325 -8.091 1.240 1.00 0.26 H new ATOM 0 HG11 VAL A 33 6.717 -6.246 0.350 1.00 0.23 H new ATOM 0 HG12 VAL A 33 7.638 -7.247 1.496 1.00 0.23 H new ATOM 0 HG13 VAL A 33 7.900 -7.429 -0.254 1.00 0.23 H new ATOM 0 HG21 VAL A 33 4.949 -7.286 -1.079 1.00 0.39 H new ATOM 0 HG22 VAL A 33 6.126 -8.476 -1.682 1.00 0.39 H new ATOM 0 HG23 VAL A 33 4.604 -9.026 -0.943 1.00 0.39 H new ATOM 524 N THR A 34 4.647 -10.473 1.766 1.00 0.34 N ATOM 525 CA THR A 34 3.545 -11.451 1.954 1.00 0.37 C ATOM 526 C THR A 34 2.490 -11.236 0.868 1.00 0.35 C ATOM 527 O THR A 34 2.307 -10.141 0.375 1.00 0.35 O ATOM 528 CB THR A 34 2.914 -11.259 3.338 1.00 0.38 C ATOM 529 OG1 THR A 34 3.189 -12.398 4.140 1.00 0.41 O ATOM 530 CG2 THR A 34 1.397 -11.081 3.208 1.00 0.38 C ATOM 0 H THR A 34 4.614 -9.652 2.371 1.00 0.34 H new ATOM 0 HA THR A 34 3.939 -12.465 1.882 1.00 0.37 H new ATOM 0 HB THR A 34 3.336 -10.368 3.802 1.00 0.38 H new ATOM 0 HG1 THR A 34 4.031 -12.263 4.623 1.00 0.41 H new ATOM 0 HG21 THR A 34 0.960 -10.946 4.198 1.00 0.38 H new ATOM 0 HG22 THR A 34 1.185 -10.205 2.595 1.00 0.38 H new ATOM 0 HG23 THR A 34 0.966 -11.965 2.739 1.00 0.38 H new ATOM 538 N ASP A 35 1.788 -12.271 0.500 1.00 0.47 N ATOM 539 CA ASP A 35 0.738 -12.122 -0.542 1.00 0.46 C ATOM 540 C ASP A 35 -0.634 -12.077 0.134 1.00 0.48 C ATOM 541 O ASP A 35 -1.276 -13.089 0.331 1.00 0.34 O ATOM 542 CB ASP A 35 0.795 -13.309 -1.505 1.00 0.54 C ATOM 543 CG ASP A 35 0.282 -12.879 -2.880 1.00 0.23 C ATOM 544 OD1 ASP A 35 -0.115 -11.733 -3.011 1.00 0.95 O ATOM 545 OD2 ASP A 35 0.294 -13.703 -3.779 1.00 0.54 O ATOM 0 H ASP A 35 1.897 -13.213 0.876 1.00 0.47 H new ATOM 0 HA ASP A 35 0.905 -11.201 -1.100 1.00 0.46 H new ATOM 0 HB2 ASP A 35 1.818 -13.676 -1.586 1.00 0.54 H new ATOM 0 HB3 ASP A 35 0.191 -14.131 -1.121 1.00 0.54 H new ATOM 550 N ILE A 36 -1.086 -10.906 0.493 1.00 0.93 N ATOM 551 CA ILE A 36 -2.413 -10.789 1.157 1.00 1.01 C ATOM 552 C ILE A 36 -3.540 -11.132 0.163 1.00 0.97 C ATOM 553 O ILE A 36 -4.683 -11.279 0.546 1.00 1.01 O ATOM 554 CB ILE A 36 -2.601 -9.357 1.666 1.00 0.91 C ATOM 555 CG1 ILE A 36 -2.900 -8.425 0.490 1.00 0.72 C ATOM 556 CG2 ILE A 36 -1.324 -8.889 2.365 1.00 0.97 C ATOM 557 CD1 ILE A 36 -2.864 -6.973 0.973 1.00 0.75 C ATOM 0 H ILE A 36 -0.592 -10.025 0.354 1.00 0.93 H new ATOM 0 HA ILE A 36 -2.454 -11.487 1.993 1.00 1.01 H new ATOM 0 HB ILE A 36 -3.434 -9.335 2.369 1.00 0.91 H new ATOM 0 HG12 ILE A 36 -2.167 -8.575 -0.303 1.00 0.72 H new ATOM 0 HG13 ILE A 36 -3.878 -8.656 0.068 1.00 0.72 H new ATOM 0 HG21 ILE A 36 -1.460 -7.870 2.727 1.00 0.97 H new ATOM 0 HG22 ILE A 36 -1.108 -9.547 3.207 1.00 0.97 H new ATOM 0 HG23 ILE A 36 -0.493 -8.916 1.661 1.00 0.97 H new ATOM 0 HD11 ILE A 36 -3.077 -6.306 0.137 1.00 0.75 H new ATOM 0 HD12 ILE A 36 -3.613 -6.830 1.751 1.00 0.75 H new ATOM 0 HD13 ILE A 36 -1.876 -6.748 1.375 1.00 0.75 H new ATOM 569 N PHE A 37 -3.238 -11.261 -1.108 1.00 0.98 N ATOM 570 CA PHE A 37 -4.304 -11.591 -2.099 1.00 0.94 C ATOM 571 C PHE A 37 -4.321 -13.099 -2.361 1.00 1.10 C ATOM 572 O PHE A 37 -4.629 -13.545 -3.450 1.00 1.08 O ATOM 573 CB PHE A 37 -4.023 -10.858 -3.411 1.00 0.78 C ATOM 574 CG PHE A 37 -3.969 -9.374 -3.151 1.00 0.65 C ATOM 575 CD1 PHE A 37 -5.135 -8.683 -2.803 1.00 0.64 C ATOM 576 CD2 PHE A 37 -2.753 -8.690 -3.255 1.00 0.55 C ATOM 577 CE1 PHE A 37 -5.085 -7.307 -2.560 1.00 0.54 C ATOM 578 CE2 PHE A 37 -2.703 -7.313 -3.010 1.00 0.47 C ATOM 579 CZ PHE A 37 -3.869 -6.621 -2.662 1.00 0.47 C ATOM 0 H PHE A 37 -2.302 -11.152 -1.498 1.00 0.98 H new ATOM 0 HA PHE A 37 -5.270 -11.281 -1.701 1.00 0.94 H new ATOM 0 HB2 PHE A 37 -3.079 -11.199 -3.836 1.00 0.78 H new ATOM 0 HB3 PHE A 37 -4.801 -11.083 -4.140 1.00 0.78 H new ATOM 0 HD1 PHE A 37 -6.073 -9.212 -2.722 1.00 0.64 H new ATOM 0 HD2 PHE A 37 -1.854 -9.224 -3.524 1.00 0.55 H new ATOM 0 HE1 PHE A 37 -5.985 -6.773 -2.293 1.00 0.54 H new ATOM 0 HE2 PHE A 37 -1.765 -6.784 -3.089 1.00 0.47 H new ATOM 0 HZ PHE A 37 -3.830 -5.558 -2.472 1.00 0.47 H new ATOM 589 N ALA A 38 -4.000 -13.890 -1.375 1.00 1.27 N ATOM 590 CA ALA A 38 -4.006 -15.367 -1.574 1.00 1.43 C ATOM 591 C ALA A 38 -4.952 -16.028 -0.560 1.00 2.07 C ATOM 592 O ALA A 38 -4.868 -17.213 -0.310 1.00 2.98 O ATOM 593 CB ALA A 38 -2.589 -15.911 -1.379 1.00 1.21 C ATOM 0 H ALA A 38 -3.734 -13.578 -0.441 1.00 1.27 H new ATOM 0 HA ALA A 38 -4.350 -15.592 -2.583 1.00 1.43 H new ATOM 0 HB1 ALA A 38 -2.591 -16.991 -1.524 1.00 1.21 H new ATOM 0 HB2 ALA A 38 -1.919 -15.449 -2.104 1.00 1.21 H new ATOM 0 HB3 ALA A 38 -2.247 -15.681 -0.370 1.00 1.21 H new ATOM 599 N ALA A 39 -5.854 -15.278 0.024 1.00 1.70 N ATOM 600 CA ALA A 39 -6.793 -15.878 1.015 1.00 2.27 C ATOM 601 C ALA A 39 -7.958 -14.916 1.271 1.00 2.01 C ATOM 602 O ALA A 39 -7.825 -13.717 1.134 1.00 1.66 O ATOM 603 CB ALA A 39 -6.053 -16.134 2.329 1.00 2.85 C ATOM 0 H ALA A 39 -5.979 -14.280 -0.144 1.00 1.70 H new ATOM 0 HA ALA A 39 -7.178 -16.818 0.621 1.00 2.27 H new ATOM 0 HB1 ALA A 39 -6.739 -16.573 3.054 1.00 2.85 H new ATOM 0 HB2 ALA A 39 -5.225 -16.820 2.152 1.00 2.85 H new ATOM 0 HB3 ALA A 39 -5.667 -15.192 2.719 1.00 2.85 H new ATOM 609 N SER A 40 -9.100 -15.433 1.643 1.00 2.87 N ATOM 610 CA SER A 40 -10.270 -14.548 1.913 1.00 2.75 C ATOM 611 C SER A 40 -11.463 -15.401 2.362 1.00 3.38 C ATOM 612 O SER A 40 -11.505 -16.592 2.129 1.00 4.36 O ATOM 613 CB SER A 40 -10.635 -13.784 0.639 1.00 2.44 C ATOM 614 OG SER A 40 -10.107 -12.466 0.718 1.00 2.25 O ATOM 0 H SER A 40 -9.272 -16.430 1.771 1.00 2.87 H new ATOM 0 HA SER A 40 -10.017 -13.838 2.700 1.00 2.75 H new ATOM 0 HB2 SER A 40 -10.234 -14.298 -0.235 1.00 2.44 H new ATOM 0 HB3 SER A 40 -11.718 -13.749 0.519 1.00 2.44 H new ATOM 0 HG SER A 40 -9.146 -12.509 0.906 1.00 2.25 H new ATOM 620 N LYS A 41 -12.434 -14.803 3.004 1.00 3.10 N ATOM 621 CA LYS A 41 -13.615 -15.593 3.462 1.00 3.62 C ATOM 622 C LYS A 41 -14.892 -14.758 3.316 1.00 2.86 C ATOM 623 O LYS A 41 -15.878 -15.212 2.770 1.00 2.75 O ATOM 624 CB LYS A 41 -13.433 -15.989 4.929 1.00 4.61 C ATOM 625 CG LYS A 41 -14.342 -17.180 5.253 1.00 5.59 C ATOM 626 CD LYS A 41 -13.567 -18.219 6.067 1.00 6.01 C ATOM 627 CE LYS A 41 -13.486 -19.527 5.280 1.00 5.74 C ATOM 628 NZ LYS A 41 -14.849 -20.120 5.163 1.00 5.87 N ATOM 0 H LYS A 41 -12.460 -13.809 3.229 1.00 3.10 H new ATOM 0 HA LYS A 41 -13.700 -16.490 2.849 1.00 3.62 H new ATOM 0 HB2 LYS A 41 -12.392 -16.250 5.120 1.00 4.61 H new ATOM 0 HB3 LYS A 41 -13.675 -15.146 5.577 1.00 4.61 H new ATOM 0 HG2 LYS A 41 -15.213 -16.842 5.814 1.00 5.59 H new ATOM 0 HG3 LYS A 41 -14.711 -17.629 4.331 1.00 5.59 H new ATOM 0 HD2 LYS A 41 -12.564 -17.851 6.286 1.00 6.01 H new ATOM 0 HD3 LYS A 41 -14.060 -18.388 7.024 1.00 6.01 H new ATOM 0 HE2 LYS A 41 -13.071 -19.343 4.289 1.00 5.74 H new ATOM 0 HE3 LYS A 41 -12.816 -20.225 5.781 1.00 5.74 H new ATOM 0 HZ1 LYS A 41 -14.770 -21.150 5.045 1.00 5.87 H new ATOM 0 HZ2 LYS A 41 -15.394 -19.910 6.024 1.00 5.87 H new ATOM 0 HZ3 LYS A 41 -15.335 -19.713 4.338 1.00 5.87 H new ATOM 642 N ASP A 42 -14.888 -13.545 3.801 1.00 2.50 N ATOM 643 CA ASP A 42 -16.110 -12.698 3.686 1.00 1.97 C ATOM 644 C ASP A 42 -15.718 -11.223 3.552 1.00 1.75 C ATOM 645 O ASP A 42 -16.494 -10.338 3.853 1.00 2.21 O ATOM 646 CB ASP A 42 -16.976 -12.879 4.936 1.00 2.55 C ATOM 647 CG ASP A 42 -18.372 -13.357 4.530 1.00 2.87 C ATOM 648 OD1 ASP A 42 -18.499 -14.517 4.175 1.00 2.45 O ATOM 649 OD2 ASP A 42 -19.290 -12.556 4.586 1.00 3.80 O ATOM 0 H ASP A 42 -14.095 -13.106 4.270 1.00 2.50 H new ATOM 0 HA ASP A 42 -16.670 -13.002 2.801 1.00 1.97 H new ATOM 0 HB2 ASP A 42 -16.515 -13.602 5.609 1.00 2.55 H new ATOM 0 HB3 ASP A 42 -17.047 -11.937 5.481 1.00 2.55 H new ATOM 654 N THR A 43 -14.526 -10.942 3.096 1.00 1.48 N ATOM 655 CA THR A 43 -14.109 -9.519 2.944 1.00 1.39 C ATOM 656 C THR A 43 -13.248 -9.369 1.696 1.00 0.39 C ATOM 657 O THR A 43 -12.746 -10.332 1.153 1.00 1.53 O ATOM 658 CB THR A 43 -13.302 -9.068 4.160 1.00 2.69 C ATOM 659 OG1 THR A 43 -12.736 -7.795 3.892 1.00 4.05 O ATOM 660 CG2 THR A 43 -12.182 -10.074 4.456 1.00 1.85 C ATOM 0 H THR A 43 -13.827 -11.633 2.824 1.00 1.48 H new ATOM 0 HA THR A 43 -15.004 -8.902 2.857 1.00 1.39 H new ATOM 0 HB THR A 43 -13.960 -9.009 5.027 1.00 2.69 H new ATOM 0 HG1 THR A 43 -13.452 -7.150 3.711 1.00 4.05 H new ATOM 0 HG21 THR A 43 -11.614 -9.741 5.325 1.00 1.85 H new ATOM 0 HG22 THR A 43 -12.616 -11.053 4.660 1.00 1.85 H new ATOM 0 HG23 THR A 43 -11.519 -10.144 3.594 1.00 1.85 H new ATOM 668 N THR A 44 -13.068 -8.161 1.237 1.00 1.18 N ATOM 669 CA THR A 44 -12.229 -7.952 0.021 1.00 2.59 C ATOM 670 C THR A 44 -11.838 -6.477 -0.116 1.00 1.97 C ATOM 671 O THR A 44 -11.737 -5.961 -1.211 1.00 2.51 O ATOM 672 CB THR A 44 -12.997 -8.379 -1.235 1.00 4.55 C ATOM 673 OG1 THR A 44 -14.050 -9.267 -0.884 1.00 4.88 O ATOM 674 CG2 THR A 44 -12.037 -9.079 -2.197 1.00 6.15 C ATOM 0 H THR A 44 -13.462 -7.314 1.647 1.00 1.18 H new ATOM 0 HA THR A 44 -11.329 -8.558 0.125 1.00 2.59 H new ATOM 0 HB THR A 44 -13.423 -7.497 -1.714 1.00 4.55 H new ATOM 0 HG1 THR A 44 -14.536 -9.534 -1.692 1.00 4.88 H new ATOM 0 HG21 THR A 44 -12.578 -9.385 -3.092 1.00 6.15 H new ATOM 0 HG22 THR A 44 -11.235 -8.394 -2.474 1.00 6.15 H new ATOM 0 HG23 THR A 44 -11.612 -9.958 -1.712 1.00 6.15 H new ATOM 682 N GLU A 45 -11.600 -5.796 0.971 1.00 1.89 N ATOM 683 CA GLU A 45 -11.198 -4.365 0.863 1.00 1.20 C ATOM 684 C GLU A 45 -10.867 -3.809 2.252 1.00 0.93 C ATOM 685 O GLU A 45 -9.786 -3.304 2.475 1.00 0.72 O ATOM 686 CB GLU A 45 -12.325 -3.558 0.185 1.00 1.18 C ATOM 687 CG GLU A 45 -12.778 -2.377 1.056 1.00 1.14 C ATOM 688 CD GLU A 45 -13.726 -1.489 0.248 1.00 1.08 C ATOM 689 OE1 GLU A 45 -14.559 -2.033 -0.458 1.00 1.67 O ATOM 690 OE2 GLU A 45 -13.604 -0.280 0.352 1.00 1.35 O ATOM 0 H GLU A 45 -11.665 -6.164 1.920 1.00 1.89 H new ATOM 0 HA GLU A 45 -10.303 -4.280 0.247 1.00 1.20 H new ATOM 0 HB2 GLU A 45 -11.978 -3.187 -0.780 1.00 1.18 H new ATOM 0 HB3 GLU A 45 -13.174 -4.212 -0.012 1.00 1.18 H new ATOM 0 HG2 GLU A 45 -13.279 -2.742 1.953 1.00 1.14 H new ATOM 0 HG3 GLU A 45 -11.914 -1.801 1.386 1.00 1.14 H new ATOM 697 N LYS A 46 -11.767 -3.892 3.191 1.00 0.99 N ATOM 698 CA LYS A 46 -11.460 -3.353 4.542 1.00 0.79 C ATOM 699 C LYS A 46 -10.439 -4.262 5.221 1.00 0.68 C ATOM 700 O LYS A 46 -9.541 -3.807 5.906 1.00 0.49 O ATOM 701 CB LYS A 46 -12.743 -3.276 5.373 1.00 0.91 C ATOM 702 CG LYS A 46 -13.108 -4.667 5.894 1.00 1.46 C ATOM 703 CD LYS A 46 -14.527 -4.639 6.461 1.00 1.52 C ATOM 704 CE LYS A 46 -14.475 -4.808 7.980 1.00 1.65 C ATOM 705 NZ LYS A 46 -15.809 -5.253 8.473 1.00 2.06 N ATOM 0 H LYS A 46 -12.693 -4.306 3.083 1.00 0.99 H new ATOM 0 HA LYS A 46 -11.044 -2.349 4.455 1.00 0.79 H new ATOM 0 HB2 LYS A 46 -12.605 -2.589 6.208 1.00 0.91 H new ATOM 0 HB3 LYS A 46 -13.557 -2.880 4.766 1.00 0.91 H new ATOM 0 HG2 LYS A 46 -13.040 -5.399 5.089 1.00 1.46 H new ATOM 0 HG3 LYS A 46 -12.402 -4.976 6.665 1.00 1.46 H new ATOM 0 HD2 LYS A 46 -15.013 -3.697 6.206 1.00 1.52 H new ATOM 0 HD3 LYS A 46 -15.123 -5.436 6.016 1.00 1.52 H new ATOM 0 HE2 LYS A 46 -13.713 -5.539 8.250 1.00 1.65 H new ATOM 0 HE3 LYS A 46 -14.196 -3.866 8.453 1.00 1.65 H new ATOM 0 HZ1 LYS A 46 -15.776 -5.369 9.506 1.00 2.06 H new ATOM 0 HZ2 LYS A 46 -16.525 -4.540 8.227 1.00 2.06 H new ATOM 0 HZ3 LYS A 46 -16.057 -6.161 8.031 1.00 2.06 H new ATOM 719 N GLU A 47 -10.543 -5.545 5.015 1.00 0.84 N ATOM 720 CA GLU A 47 -9.554 -6.461 5.633 1.00 0.82 C ATOM 721 C GLU A 47 -8.258 -6.389 4.826 1.00 0.79 C ATOM 722 O GLU A 47 -7.184 -6.578 5.347 1.00 0.81 O ATOM 723 CB GLU A 47 -10.093 -7.893 5.631 1.00 1.02 C ATOM 724 CG GLU A 47 -10.934 -8.115 6.890 1.00 0.52 C ATOM 725 CD GLU A 47 -10.350 -9.273 7.702 1.00 1.66 C ATOM 726 OE1 GLU A 47 -10.343 -10.382 7.195 1.00 2.39 O ATOM 727 OE2 GLU A 47 -9.919 -9.030 8.817 1.00 2.46 O ATOM 0 H GLU A 47 -11.264 -5.993 4.450 1.00 0.84 H new ATOM 0 HA GLU A 47 -9.367 -6.165 6.665 1.00 0.82 H new ATOM 0 HB2 GLU A 47 -10.697 -8.066 4.740 1.00 1.02 H new ATOM 0 HB3 GLU A 47 -9.268 -8.605 5.600 1.00 1.02 H new ATOM 0 HG2 GLU A 47 -10.950 -7.207 7.493 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -11.966 -8.334 6.616 1.00 0.52 H new ATOM 734 N THR A 48 -8.352 -6.104 3.557 1.00 0.77 N ATOM 735 CA THR A 48 -7.121 -6.009 2.726 1.00 0.79 C ATOM 736 C THR A 48 -6.345 -4.738 3.095 1.00 0.73 C ATOM 737 O THR A 48 -5.150 -4.656 2.892 1.00 0.76 O ATOM 738 CB THR A 48 -7.509 -5.962 1.247 1.00 0.84 C ATOM 739 OG1 THR A 48 -8.400 -7.030 0.960 1.00 0.71 O ATOM 740 CG2 THR A 48 -6.254 -6.096 0.383 1.00 0.97 C ATOM 0 H THR A 48 -9.227 -5.933 3.061 1.00 0.77 H new ATOM 0 HA THR A 48 -6.492 -6.880 2.910 1.00 0.79 H new ATOM 0 HB THR A 48 -7.997 -5.012 1.029 1.00 0.84 H new ATOM 0 HG1 THR A 48 -8.651 -7.001 0.013 1.00 0.71 H new ATOM 0 HG21 THR A 48 -6.532 -6.062 -0.670 1.00 0.97 H new ATOM 0 HG22 THR A 48 -5.571 -5.276 0.604 1.00 0.97 H new ATOM 0 HG23 THR A 48 -5.764 -7.045 0.599 1.00 0.97 H new ATOM 748 N PHE A 49 -7.008 -3.744 3.635 1.00 0.68 N ATOM 749 CA PHE A 49 -6.287 -2.492 4.006 1.00 0.68 C ATOM 750 C PHE A 49 -5.631 -2.651 5.378 1.00 0.65 C ATOM 751 O PHE A 49 -4.560 -2.132 5.621 1.00 0.74 O ATOM 752 CB PHE A 49 -7.257 -1.308 4.074 1.00 0.61 C ATOM 753 CG PHE A 49 -7.896 -1.048 2.732 1.00 0.54 C ATOM 754 CD1 PHE A 49 -7.167 -1.212 1.549 1.00 1.05 C ATOM 755 CD2 PHE A 49 -9.236 -0.652 2.680 1.00 0.84 C ATOM 756 CE1 PHE A 49 -7.780 -0.976 0.313 1.00 1.11 C ATOM 757 CE2 PHE A 49 -9.850 -0.419 1.444 1.00 0.84 C ATOM 758 CZ PHE A 49 -9.122 -0.581 0.261 1.00 0.64 C ATOM 0 H PHE A 49 -8.009 -3.747 3.833 1.00 0.68 H new ATOM 0 HA PHE A 49 -5.531 -2.304 3.244 1.00 0.68 H new ATOM 0 HB2 PHE A 49 -8.030 -1.510 4.815 1.00 0.61 H new ATOM 0 HB3 PHE A 49 -6.724 -0.417 4.405 1.00 0.61 H new ATOM 0 HD1 PHE A 49 -6.133 -1.520 1.590 1.00 1.05 H new ATOM 0 HD2 PHE A 49 -9.797 -0.526 3.594 1.00 0.84 H new ATOM 0 HE1 PHE A 49 -7.218 -1.099 -0.601 1.00 1.11 H new ATOM 0 HE2 PHE A 49 -10.885 -0.114 1.404 1.00 0.84 H new ATOM 0 HZ PHE A 49 -9.595 -0.401 -0.693 1.00 0.64 H new ATOM 768 N CYS A 50 -6.260 -3.346 6.286 1.00 0.56 N ATOM 769 CA CYS A 50 -5.648 -3.504 7.636 1.00 0.55 C ATOM 770 C CYS A 50 -4.460 -4.472 7.526 1.00 0.63 C ATOM 771 O CYS A 50 -3.422 -4.279 8.133 1.00 0.72 O ATOM 772 CB CYS A 50 -6.694 -4.047 8.628 1.00 0.46 C ATOM 773 SG CYS A 50 -7.226 -5.715 8.168 1.00 1.66 S ATOM 0 H CYS A 50 -7.161 -3.806 6.155 1.00 0.56 H new ATOM 0 HA CYS A 50 -5.300 -2.539 8.003 1.00 0.55 H new ATOM 0 HB2 CYS A 50 -6.273 -4.061 9.633 1.00 0.46 H new ATOM 0 HB3 CYS A 50 -7.556 -3.381 8.652 1.00 0.46 H new ATOM 778 N ARG A 51 -4.597 -5.499 6.727 1.00 0.60 N ATOM 779 CA ARG A 51 -3.486 -6.475 6.546 1.00 0.64 C ATOM 780 C ARG A 51 -2.348 -5.770 5.816 1.00 0.72 C ATOM 781 O ARG A 51 -1.234 -5.686 6.298 1.00 0.78 O ATOM 782 CB ARG A 51 -3.985 -7.651 5.695 1.00 0.63 C ATOM 783 CG ARG A 51 -4.529 -8.763 6.599 1.00 0.58 C ATOM 784 CD ARG A 51 -5.873 -9.272 6.059 1.00 0.47 C ATOM 785 NE ARG A 51 -5.743 -9.587 4.605 1.00 1.51 N ATOM 786 CZ ARG A 51 -6.661 -10.293 3.982 1.00 1.87 C ATOM 787 NH1 ARG A 51 -7.721 -10.737 4.611 1.00 1.05 N ATOM 788 NH2 ARG A 51 -6.514 -10.552 2.712 1.00 3.31 N ATOM 0 H ARG A 51 -5.439 -5.703 6.189 1.00 0.60 H new ATOM 0 HA ARG A 51 -3.142 -6.847 7.511 1.00 0.64 H new ATOM 0 HB2 ARG A 51 -4.765 -7.311 5.014 1.00 0.63 H new ATOM 0 HB3 ARG A 51 -3.171 -8.037 5.081 1.00 0.63 H new ATOM 0 HG2 ARG A 51 -3.814 -9.584 6.649 1.00 0.58 H new ATOM 0 HG3 ARG A 51 -4.655 -8.388 7.615 1.00 0.58 H new ATOM 0 HD2 ARG A 51 -6.183 -10.161 6.608 1.00 0.47 H new ATOM 0 HD3 ARG A 51 -6.646 -8.518 6.210 1.00 0.47 H new ATOM 0 HE ARG A 51 -4.931 -9.250 4.088 1.00 1.51 H new ATOM 0 HH11 ARG A 51 -7.846 -10.537 5.603 1.00 1.05 H new ATOM 0 HH12 ARG A 51 -8.421 -11.283 4.108 1.00 1.05 H new ATOM 0 HH21 ARG A 51 -5.694 -10.208 2.213 1.00 3.31 H new ATOM 0 HH22 ARG A 51 -7.219 -11.099 2.218 1.00 3.31 H new ATOM 802 N ALA A 52 -2.636 -5.241 4.661 1.00 0.71 N ATOM 803 CA ALA A 52 -1.600 -4.512 3.888 1.00 0.76 C ATOM 804 C ALA A 52 -1.104 -3.313 4.702 1.00 0.75 C ATOM 805 O ALA A 52 -0.051 -2.776 4.438 1.00 0.78 O ATOM 806 CB ALA A 52 -2.208 -4.015 2.578 1.00 0.76 C ATOM 0 H ALA A 52 -3.554 -5.284 4.217 1.00 0.71 H new ATOM 0 HA ALA A 52 -0.764 -5.179 3.677 1.00 0.76 H new ATOM 0 HB1 ALA A 52 -1.451 -3.479 2.006 1.00 0.76 H new ATOM 0 HB2 ALA A 52 -2.567 -4.865 1.998 1.00 0.76 H new ATOM 0 HB3 ALA A 52 -3.041 -3.346 2.794 1.00 0.76 H new ATOM 812 N ALA A 53 -1.855 -2.884 5.689 1.00 0.73 N ATOM 813 CA ALA A 53 -1.414 -1.726 6.510 1.00 0.74 C ATOM 814 C ALA A 53 -0.242 -2.161 7.391 1.00 0.74 C ATOM 815 O ALA A 53 0.690 -1.415 7.603 1.00 0.74 O ATOM 816 CB ALA A 53 -2.572 -1.251 7.390 1.00 0.77 C ATOM 0 H ALA A 53 -2.752 -3.289 5.956 1.00 0.73 H new ATOM 0 HA ALA A 53 -1.102 -0.909 5.860 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -2.247 -0.402 7.991 1.00 0.77 H new ATOM 0 HB2 ALA A 53 -3.409 -0.950 6.759 1.00 0.77 H new ATOM 0 HB3 ALA A 53 -2.886 -2.062 8.047 1.00 0.77 H new ATOM 822 N THR A 54 -0.281 -3.364 7.901 1.00 0.75 N ATOM 823 CA THR A 54 0.842 -3.846 8.759 1.00 0.77 C ATOM 824 C THR A 54 2.074 -4.084 7.882 1.00 0.75 C ATOM 825 O THR A 54 3.167 -3.646 8.194 1.00 0.74 O ATOM 826 CB THR A 54 0.431 -5.150 9.456 1.00 0.86 C ATOM 827 OG1 THR A 54 0.225 -4.902 10.839 1.00 1.41 O ATOM 828 CG2 THR A 54 1.525 -6.211 9.297 1.00 0.44 C ATOM 0 H THR A 54 -1.039 -4.032 7.761 1.00 0.75 H new ATOM 0 HA THR A 54 1.077 -3.099 9.518 1.00 0.77 H new ATOM 0 HB THR A 54 -0.489 -5.515 8.999 1.00 0.86 H new ATOM 0 HG1 THR A 54 -0.443 -5.529 11.188 1.00 1.41 H new ATOM 0 HG21 THR A 54 1.217 -7.129 9.797 1.00 0.44 H new ATOM 0 HG22 THR A 54 1.686 -6.411 8.238 1.00 0.44 H new ATOM 0 HG23 THR A 54 2.451 -5.848 9.743 1.00 0.44 H new ATOM 836 N VAL A 55 1.908 -4.766 6.781 1.00 0.77 N ATOM 837 CA VAL A 55 3.071 -5.017 5.886 1.00 0.77 C ATOM 838 C VAL A 55 3.621 -3.673 5.398 1.00 0.68 C ATOM 839 O VAL A 55 4.794 -3.536 5.110 1.00 0.62 O ATOM 840 CB VAL A 55 2.634 -5.871 4.690 1.00 0.81 C ATOM 841 CG1 VAL A 55 3.845 -6.165 3.804 1.00 0.85 C ATOM 842 CG2 VAL A 55 2.049 -7.194 5.195 1.00 0.88 C ATOM 0 H VAL A 55 1.021 -5.158 6.465 1.00 0.77 H new ATOM 0 HA VAL A 55 3.847 -5.553 6.432 1.00 0.77 H new ATOM 0 HB VAL A 55 1.881 -5.331 4.116 1.00 0.81 H new ATOM 0 HG11 VAL A 55 3.535 -6.772 2.954 1.00 0.85 H new ATOM 0 HG12 VAL A 55 4.269 -5.227 3.445 1.00 0.85 H new ATOM 0 HG13 VAL A 55 4.595 -6.705 4.381 1.00 0.85 H new ATOM 0 HG21 VAL A 55 1.738 -7.802 4.346 1.00 0.88 H new ATOM 0 HG22 VAL A 55 2.805 -7.731 5.768 1.00 0.88 H new ATOM 0 HG23 VAL A 55 1.187 -6.992 5.831 1.00 0.88 H new ATOM 852 N LEU A 56 2.783 -2.670 5.321 1.00 0.70 N ATOM 853 CA LEU A 56 3.266 -1.336 4.870 1.00 0.63 C ATOM 854 C LEU A 56 3.997 -0.659 6.030 1.00 0.64 C ATOM 855 O LEU A 56 4.919 0.107 5.831 1.00 0.65 O ATOM 856 CB LEU A 56 2.082 -0.467 4.434 1.00 0.50 C ATOM 857 CG LEU A 56 2.107 -0.301 2.913 1.00 0.52 C ATOM 858 CD1 LEU A 56 1.652 -1.599 2.243 1.00 0.87 C ATOM 859 CD2 LEU A 56 1.167 0.836 2.508 1.00 0.41 C ATOM 0 H LEU A 56 1.790 -2.720 5.550 1.00 0.70 H new ATOM 0 HA LEU A 56 3.941 -1.460 4.023 1.00 0.63 H new ATOM 0 HB2 LEU A 56 1.144 -0.928 4.745 1.00 0.50 H new ATOM 0 HB3 LEU A 56 2.134 0.508 4.918 1.00 0.50 H new ATOM 0 HG LEU A 56 3.123 -0.067 2.594 1.00 0.52 H new ATOM 0 HD11 LEU A 56 1.671 -1.476 1.160 1.00 0.87 H new ATOM 0 HD12 LEU A 56 2.322 -2.410 2.528 1.00 0.87 H new ATOM 0 HD13 LEU A 56 0.638 -1.837 2.563 1.00 0.87 H new ATOM 0 HD21 LEU A 56 1.185 0.954 1.425 1.00 0.41 H new ATOM 0 HD22 LEU A 56 0.153 0.602 2.831 1.00 0.41 H new ATOM 0 HD23 LEU A 56 1.493 1.763 2.980 1.00 0.41 H new ATOM 871 N ARG A 57 3.602 -0.948 7.241 1.00 0.65 N ATOM 872 CA ARG A 57 4.287 -0.333 8.408 1.00 0.69 C ATOM 873 C ARG A 57 5.757 -0.717 8.344 1.00 0.80 C ATOM 874 O ARG A 57 6.634 0.102 8.525 1.00 0.86 O ATOM 875 CB ARG A 57 3.672 -0.857 9.706 1.00 0.67 C ATOM 876 CG ARG A 57 2.396 -0.074 10.014 1.00 1.55 C ATOM 877 CD ARG A 57 2.140 -0.086 11.522 1.00 1.33 C ATOM 878 NE ARG A 57 2.674 1.167 12.130 1.00 1.62 N ATOM 879 CZ ARG A 57 2.325 1.531 13.344 1.00 2.03 C ATOM 880 NH1 ARG A 57 1.502 0.803 14.062 1.00 2.00 N ATOM 881 NH2 ARG A 57 2.806 2.634 13.845 1.00 2.64 N ATOM 0 H ARG A 57 2.836 -1.582 7.469 1.00 0.65 H new ATOM 0 HA ARG A 57 4.176 0.751 8.385 1.00 0.69 H new ATOM 0 HB2 ARG A 57 3.446 -1.919 9.612 1.00 0.67 H new ATOM 0 HB3 ARG A 57 4.383 -0.753 10.526 1.00 0.67 H new ATOM 0 HG2 ARG A 57 2.492 0.952 9.659 1.00 1.55 H new ATOM 0 HG3 ARG A 57 1.550 -0.516 9.487 1.00 1.55 H new ATOM 0 HD2 ARG A 57 1.071 -0.171 11.719 1.00 1.33 H new ATOM 0 HD3 ARG A 57 2.618 -0.955 11.975 1.00 1.33 H new ATOM 0 HE ARG A 57 3.319 1.750 11.596 1.00 1.62 H new ATOM 0 HH11 ARG A 57 1.121 -0.063 13.680 1.00 2.00 H new ATOM 0 HH12 ARG A 57 1.244 1.103 15.002 1.00 2.00 H new ATOM 0 HH21 ARG A 57 3.447 3.206 13.296 1.00 2.64 H new ATOM 0 HH22 ARG A 57 2.541 2.925 14.786 1.00 2.64 H new ATOM 895 N GLN A 58 6.032 -1.961 8.061 1.00 0.85 N ATOM 896 CA GLN A 58 7.449 -2.398 7.953 1.00 0.97 C ATOM 897 C GLN A 58 8.062 -1.731 6.723 1.00 0.98 C ATOM 898 O GLN A 58 9.225 -1.393 6.703 1.00 1.18 O ATOM 899 CB GLN A 58 7.507 -3.918 7.798 1.00 1.04 C ATOM 900 CG GLN A 58 7.325 -4.574 9.168 1.00 1.20 C ATOM 901 CD GLN A 58 7.015 -6.060 8.983 1.00 1.04 C ATOM 902 OE1 GLN A 58 5.884 -6.429 8.736 1.00 2.05 O ATOM 903 NE2 GLN A 58 7.977 -6.933 9.091 1.00 0.47 N ATOM 0 H GLN A 58 5.337 -2.691 7.901 1.00 0.85 H new ATOM 0 HA GLN A 58 8.001 -2.115 8.849 1.00 0.97 H new ATOM 0 HB2 GLN A 58 6.728 -4.255 7.114 1.00 1.04 H new ATOM 0 HB3 GLN A 58 8.462 -4.215 7.364 1.00 1.04 H new ATOM 0 HG2 GLN A 58 8.229 -4.451 9.765 1.00 1.20 H new ATOM 0 HG3 GLN A 58 6.515 -4.087 9.712 1.00 1.20 H new ATOM 0 HE21 GLN A 58 8.926 -6.623 9.298 1.00 0.47 H new ATOM 0 HE22 GLN A 58 7.780 -7.926 8.968 1.00 0.47 H new ATOM 912 N PHE A 59 7.278 -1.532 5.700 1.00 0.81 N ATOM 913 CA PHE A 59 7.798 -0.873 4.467 1.00 0.84 C ATOM 914 C PHE A 59 8.477 0.447 4.840 1.00 0.86 C ATOM 915 O PHE A 59 9.556 0.755 4.378 1.00 0.87 O ATOM 916 CB PHE A 59 6.619 -0.590 3.527 1.00 0.98 C ATOM 917 CG PHE A 59 7.069 -0.622 2.085 1.00 0.53 C ATOM 918 CD1 PHE A 59 7.884 0.397 1.578 1.00 0.66 C ATOM 919 CD2 PHE A 59 6.657 -1.668 1.249 1.00 1.01 C ATOM 920 CE1 PHE A 59 8.290 0.367 0.238 1.00 0.53 C ATOM 921 CE2 PHE A 59 7.062 -1.697 -0.090 1.00 1.16 C ATOM 922 CZ PHE A 59 7.880 -0.679 -0.595 1.00 0.68 C ATOM 0 H PHE A 59 6.294 -1.799 5.664 1.00 0.81 H new ATOM 0 HA PHE A 59 8.522 -1.523 3.975 1.00 0.84 H new ATOM 0 HB2 PHE A 59 5.835 -1.330 3.685 1.00 0.98 H new ATOM 0 HB3 PHE A 59 6.189 0.385 3.758 1.00 0.98 H new ATOM 0 HD1 PHE A 59 8.200 1.206 2.220 1.00 0.66 H new ATOM 0 HD2 PHE A 59 6.026 -2.453 1.639 1.00 1.01 H new ATOM 0 HE1 PHE A 59 8.920 1.152 -0.152 1.00 0.53 H new ATOM 0 HE2 PHE A 59 6.744 -2.504 -0.733 1.00 1.16 H new ATOM 0 HZ PHE A 59 8.194 -0.702 -1.628 1.00 0.68 H new ATOM 932 N TYR A 60 7.853 1.243 5.659 1.00 0.90 N ATOM 933 CA TYR A 60 8.475 2.543 6.029 1.00 0.92 C ATOM 934 C TYR A 60 9.313 2.432 7.308 1.00 0.88 C ATOM 935 O TYR A 60 10.029 3.348 7.659 1.00 0.94 O ATOM 936 CB TYR A 60 7.376 3.592 6.215 1.00 0.97 C ATOM 937 CG TYR A 60 6.969 3.657 7.668 1.00 0.87 C ATOM 938 CD1 TYR A 60 5.991 2.782 8.162 1.00 0.60 C ATOM 939 CD2 TYR A 60 7.562 4.596 8.520 1.00 1.20 C ATOM 940 CE1 TYR A 60 5.610 2.848 9.508 1.00 0.77 C ATOM 941 CE2 TYR A 60 7.179 4.661 9.866 1.00 1.30 C ATOM 942 CZ TYR A 60 6.204 3.787 10.359 1.00 1.12 C ATOM 943 OH TYR A 60 5.827 3.853 11.685 1.00 1.38 O ATOM 0 H TYR A 60 6.946 1.053 6.086 1.00 0.90 H new ATOM 0 HA TYR A 60 9.147 2.840 5.223 1.00 0.92 H new ATOM 0 HB2 TYR A 60 7.732 4.567 5.884 1.00 0.97 H new ATOM 0 HB3 TYR A 60 6.513 3.341 5.597 1.00 0.97 H new ATOM 0 HD1 TYR A 60 5.532 2.058 7.505 1.00 0.60 H new ATOM 0 HD2 TYR A 60 8.315 5.270 8.140 1.00 1.20 H new ATOM 0 HE1 TYR A 60 4.857 2.174 9.890 1.00 0.77 H new ATOM 0 HE2 TYR A 60 7.636 5.386 10.523 1.00 1.30 H new ATOM 0 HH TYR A 60 6.337 4.558 12.135 1.00 1.38 H new ATOM 953 N SER A 61 9.232 1.345 8.015 1.00 0.80 N ATOM 954 CA SER A 61 10.029 1.230 9.267 1.00 0.77 C ATOM 955 C SER A 61 11.394 0.604 8.976 1.00 0.68 C ATOM 956 O SER A 61 12.428 1.214 9.170 1.00 0.59 O ATOM 957 CB SER A 61 9.276 0.350 10.265 1.00 0.76 C ATOM 958 OG SER A 61 8.668 1.173 11.252 1.00 1.33 O ATOM 0 H SER A 61 8.655 0.536 7.785 1.00 0.80 H new ATOM 0 HA SER A 61 10.178 2.227 9.683 1.00 0.77 H new ATOM 0 HB2 SER A 61 8.518 -0.239 9.748 1.00 0.76 H new ATOM 0 HB3 SER A 61 9.961 -0.355 10.735 1.00 0.76 H new ATOM 0 HG SER A 61 8.183 0.612 11.892 1.00 1.33 H new ATOM 964 N HIS A 62 11.400 -0.624 8.548 1.00 0.78 N ATOM 965 CA HIS A 62 12.689 -1.326 8.278 1.00 0.70 C ATOM 966 C HIS A 62 13.124 -1.171 6.816 1.00 0.52 C ATOM 967 O HIS A 62 14.265 -0.861 6.532 1.00 0.32 O ATOM 968 CB HIS A 62 12.514 -2.812 8.594 1.00 1.02 C ATOM 969 CG HIS A 62 12.324 -2.991 10.077 1.00 1.55 C ATOM 970 ND1 HIS A 62 12.348 -4.238 10.681 1.00 1.90 N ATOM 971 CD2 HIS A 62 12.103 -2.089 11.090 1.00 2.33 C ATOM 972 CE1 HIS A 62 12.146 -4.054 11.999 1.00 2.37 C ATOM 973 NE2 HIS A 62 11.992 -2.763 12.302 1.00 2.69 N ATOM 0 H HIS A 62 10.563 -1.179 8.371 1.00 0.78 H new ATOM 0 HA HIS A 62 13.460 -0.881 8.907 1.00 0.70 H new ATOM 0 HB2 HIS A 62 11.654 -3.210 8.056 1.00 1.02 H new ATOM 0 HB3 HIS A 62 13.387 -3.371 8.258 1.00 1.02 H new ATOM 0 HD2 HIS A 62 12.027 -1.019 10.964 1.00 2.33 H new ATOM 0 HE1 HIS A 62 12.113 -4.854 12.724 1.00 2.37 H new ATOM 0 HE2 HIS A 62 11.828 -2.358 13.224 1.00 2.69 H new ATOM 981 N HIS A 63 12.243 -1.417 5.885 1.00 0.76 N ATOM 982 CA HIS A 63 12.631 -1.320 4.449 1.00 0.93 C ATOM 983 C HIS A 63 13.252 0.048 4.151 1.00 0.83 C ATOM 984 O HIS A 63 14.018 0.193 3.220 1.00 1.18 O ATOM 985 CB HIS A 63 11.404 -1.543 3.564 1.00 1.12 C ATOM 986 CG HIS A 63 11.581 -0.802 2.270 1.00 1.53 C ATOM 987 ND1 HIS A 63 10.975 0.320 1.763 1.00 1.87 N flip ATOM 988 CD2 HIS A 63 12.495 -1.205 1.308 1.00 3.32 C flip ATOM 989 CE1 HIS A 63 11.503 0.612 0.509 1.00 3.82 C flip ATOM 990 NE2 HIS A 63 12.414 -0.338 0.284 1.00 4.77 N flip ATOM 0 H HIS A 63 11.273 -1.681 6.056 1.00 0.76 H new ATOM 0 HA HIS A 63 13.372 -2.090 4.235 1.00 0.93 H new ATOM 0 HB2 HIS A 63 11.270 -2.607 3.371 1.00 1.12 H new ATOM 0 HB3 HIS A 63 10.506 -1.196 4.075 1.00 1.12 H new ATOM 0 HD1 HIS A 63 10.248 0.858 2.234 1.00 1.87 H new ATOM 0 HD2 HIS A 63 13.152 -2.060 1.370 1.00 3.32 H new ATOM 0 HE1 HIS A 63 11.234 1.431 -0.142 1.00 3.82 H new ATOM 998 N GLU A 64 12.951 1.050 4.935 1.00 0.58 N ATOM 999 CA GLU A 64 13.561 2.385 4.682 1.00 0.81 C ATOM 1000 C GLU A 64 14.861 2.479 5.496 1.00 1.16 C ATOM 1001 O GLU A 64 15.051 3.375 6.295 1.00 2.03 O ATOM 1002 CB GLU A 64 12.583 3.497 5.088 1.00 0.76 C ATOM 1003 CG GLU A 64 13.240 4.885 4.946 1.00 1.42 C ATOM 1004 CD GLU A 64 14.328 4.867 3.862 1.00 3.87 C ATOM 1005 OE1 GLU A 64 14.023 4.503 2.739 1.00 5.19 O ATOM 1006 OE2 GLU A 64 15.452 5.216 4.180 1.00 4.65 O ATOM 0 H GLU A 64 12.316 1.002 5.731 1.00 0.58 H new ATOM 0 HA GLU A 64 13.782 2.507 3.622 1.00 0.81 H new ATOM 0 HB2 GLU A 64 11.690 3.447 4.465 1.00 0.76 H new ATOM 0 HB3 GLU A 64 12.261 3.346 6.118 1.00 0.76 H new ATOM 0 HG2 GLU A 64 12.482 5.627 4.694 1.00 1.42 H new ATOM 0 HG3 GLU A 64 13.675 5.185 5.899 1.00 1.42 H new ATOM 1013 N LYS A 65 15.757 1.550 5.294 1.00 1.29 N ATOM 1014 CA LYS A 65 17.042 1.567 6.045 1.00 1.52 C ATOM 1015 C LYS A 65 17.923 0.413 5.559 1.00 1.53 C ATOM 1016 O LYS A 65 18.628 -0.210 6.327 1.00 1.81 O ATOM 1017 CB LYS A 65 16.759 1.400 7.539 1.00 1.91 C ATOM 1018 CG LYS A 65 17.791 2.190 8.345 1.00 2.17 C ATOM 1019 CD LYS A 65 18.011 1.511 9.697 1.00 3.36 C ATOM 1020 CE LYS A 65 19.488 1.610 10.082 1.00 3.88 C ATOM 1021 NZ LYS A 65 19.612 2.234 11.430 1.00 4.12 N ATOM 0 H LYS A 65 15.652 0.777 4.637 1.00 1.29 H new ATOM 0 HA LYS A 65 17.554 2.514 5.877 1.00 1.52 H new ATOM 0 HB2 LYS A 65 15.754 1.752 7.771 1.00 1.91 H new ATOM 0 HB3 LYS A 65 16.799 0.345 7.812 1.00 1.91 H new ATOM 0 HG2 LYS A 65 18.731 2.245 7.797 1.00 2.17 H new ATOM 0 HG3 LYS A 65 17.447 3.214 8.492 1.00 2.17 H new ATOM 0 HD2 LYS A 65 17.393 1.985 10.459 1.00 3.36 H new ATOM 0 HD3 LYS A 65 17.707 0.466 9.645 1.00 3.36 H new ATOM 0 HE2 LYS A 65 19.941 0.618 10.086 1.00 3.88 H new ATOM 0 HE3 LYS A 65 20.028 2.204 9.344 1.00 3.88 H new ATOM 0 HZ1 LYS A 65 20.617 2.301 11.691 1.00 4.12 H new ATOM 0 HZ2 LYS A 65 19.195 3.187 11.411 1.00 4.12 H new ATOM 0 HZ3 LYS A 65 19.111 1.651 12.130 1.00 4.12 H new ATOM 1035 N ASP A 66 17.887 0.126 4.285 1.00 1.30 N ATOM 1036 CA ASP A 66 18.718 -0.986 3.744 1.00 1.31 C ATOM 1037 C ASP A 66 19.368 -0.538 2.433 1.00 1.24 C ATOM 1038 O ASP A 66 18.937 0.412 1.811 1.00 1.03 O ATOM 1039 CB ASP A 66 17.829 -2.205 3.481 1.00 1.31 C ATOM 1040 CG ASP A 66 18.576 -3.482 3.869 1.00 1.90 C ATOM 1041 OD1 ASP A 66 19.791 -3.426 3.978 1.00 2.65 O ATOM 1042 OD2 ASP A 66 17.922 -4.496 4.051 1.00 1.86 O ATOM 0 H ASP A 66 17.317 0.615 3.595 1.00 1.30 H new ATOM 0 HA ASP A 66 19.492 -1.250 4.465 1.00 1.31 H new ATOM 0 HB2 ASP A 66 16.906 -2.124 4.054 1.00 1.31 H new ATOM 0 HB3 ASP A 66 17.548 -2.242 2.428 1.00 1.31 H new ATOM 1047 N THR A 67 20.402 -1.212 2.010 1.00 1.48 N ATOM 1048 CA THR A 67 21.074 -0.822 0.739 1.00 1.50 C ATOM 1049 C THR A 67 20.457 -1.585 -0.444 1.00 1.52 C ATOM 1050 O THR A 67 20.993 -1.588 -1.534 1.00 1.85 O ATOM 1051 CB THR A 67 22.568 -1.144 0.836 1.00 1.57 C ATOM 1052 OG1 THR A 67 23.111 -0.507 1.984 1.00 0.49 O ATOM 1053 CG2 THR A 67 23.290 -0.640 -0.415 1.00 2.52 C ATOM 0 H THR A 67 20.810 -2.015 2.489 1.00 1.48 H new ATOM 0 HA THR A 67 20.938 0.247 0.577 1.00 1.50 H new ATOM 0 HB THR A 67 22.701 -2.223 0.916 1.00 1.57 H new ATOM 0 HG1 THR A 67 24.067 -0.712 2.051 1.00 0.49 H new ATOM 0 HG21 THR A 67 24.352 -0.872 -0.340 1.00 2.52 H new ATOM 0 HG22 THR A 67 22.873 -1.127 -1.297 1.00 2.52 H new ATOM 0 HG23 THR A 67 23.159 0.439 -0.501 1.00 2.52 H new ATOM 1061 N ARG A 68 19.339 -2.233 -0.249 1.00 1.25 N ATOM 1062 CA ARG A 68 18.719 -2.981 -1.376 1.00 1.31 C ATOM 1063 C ARG A 68 18.043 -1.993 -2.330 1.00 1.22 C ATOM 1064 O ARG A 68 18.249 -2.033 -3.527 1.00 1.36 O ATOM 1065 CB ARG A 68 17.682 -3.966 -0.830 1.00 1.23 C ATOM 1066 CG ARG A 68 18.392 -5.233 -0.346 1.00 1.31 C ATOM 1067 CD ARG A 68 17.960 -6.420 -1.208 1.00 2.06 C ATOM 1068 NE ARG A 68 16.901 -7.192 -0.495 1.00 2.77 N ATOM 1069 CZ ARG A 68 16.174 -8.084 -1.129 1.00 3.85 C ATOM 1070 NH1 ARG A 68 16.365 -8.337 -2.401 1.00 4.37 N ATOM 1071 NH2 ARG A 68 15.248 -8.732 -0.479 1.00 4.66 N ATOM 0 H ARG A 68 18.833 -2.276 0.636 1.00 1.25 H new ATOM 0 HA ARG A 68 19.489 -3.534 -1.914 1.00 1.31 H new ATOM 0 HB2 ARG A 68 17.128 -3.510 -0.010 1.00 1.23 H new ATOM 0 HB3 ARG A 68 16.957 -4.215 -1.605 1.00 1.23 H new ATOM 0 HG2 ARG A 68 19.473 -5.102 -0.404 1.00 1.31 H new ATOM 0 HG3 ARG A 68 18.149 -5.422 0.700 1.00 1.31 H new ATOM 0 HD2 ARG A 68 17.584 -6.068 -2.169 1.00 2.06 H new ATOM 0 HD3 ARG A 68 18.816 -7.062 -1.416 1.00 2.06 H new ATOM 0 HE ARG A 68 16.739 -7.025 0.498 1.00 2.77 H new ATOM 0 HH11 ARG A 68 17.089 -7.837 -2.917 1.00 4.37 H new ATOM 0 HH12 ARG A 68 15.790 -9.033 -2.874 1.00 4.37 H new ATOM 0 HH21 ARG A 68 15.094 -8.544 0.512 1.00 4.66 H new ATOM 0 HH22 ARG A 68 14.678 -9.427 -0.961 1.00 4.66 H new ATOM 1085 N CYS A 69 17.242 -1.101 -1.811 1.00 1.01 N ATOM 1086 CA CYS A 69 16.559 -0.114 -2.695 1.00 0.96 C ATOM 1087 C CYS A 69 17.422 1.145 -2.835 1.00 0.96 C ATOM 1088 O CYS A 69 17.361 1.840 -3.830 1.00 1.10 O ATOM 1089 CB CYS A 69 15.201 0.266 -2.097 1.00 0.95 C ATOM 1090 SG CYS A 69 14.275 1.256 -3.298 1.00 0.99 S ATOM 0 H CYS A 69 17.032 -1.014 -0.817 1.00 1.01 H new ATOM 0 HA CYS A 69 16.411 -0.563 -3.677 1.00 0.96 H new ATOM 0 HB2 CYS A 69 14.640 -0.632 -1.839 1.00 0.95 H new ATOM 0 HB3 CYS A 69 15.342 0.830 -1.175 1.00 0.95 H new ATOM 1095 N LEU A 70 18.222 1.450 -1.847 1.00 0.86 N ATOM 1096 CA LEU A 70 19.077 2.672 -1.936 1.00 0.87 C ATOM 1097 C LEU A 70 19.922 2.613 -3.211 1.00 0.96 C ATOM 1098 O LEU A 70 19.757 3.409 -4.114 1.00 0.91 O ATOM 1099 CB LEU A 70 20.006 2.750 -0.721 1.00 0.93 C ATOM 1100 CG LEU A 70 19.196 3.081 0.535 1.00 1.20 C ATOM 1101 CD1 LEU A 70 20.136 3.159 1.740 1.00 1.45 C ATOM 1102 CD2 LEU A 70 18.496 4.431 0.355 1.00 1.03 C ATOM 0 H LEU A 70 18.321 0.910 -0.987 1.00 0.86 H new ATOM 0 HA LEU A 70 18.436 3.553 -1.958 1.00 0.87 H new ATOM 0 HB2 LEU A 70 20.526 1.801 -0.589 1.00 0.93 H new ATOM 0 HB3 LEU A 70 20.768 3.512 -0.884 1.00 0.93 H new ATOM 0 HG LEU A 70 18.450 2.303 0.699 1.00 1.20 H new ATOM 0 HD11 LEU A 70 19.561 3.395 2.635 1.00 1.45 H new ATOM 0 HD12 LEU A 70 20.638 2.200 1.873 1.00 1.45 H new ATOM 0 HD13 LEU A 70 20.880 3.938 1.571 1.00 1.45 H new ATOM 0 HD21 LEU A 70 17.920 4.664 1.250 1.00 1.03 H new ATOM 0 HD22 LEU A 70 19.242 5.209 0.190 1.00 1.03 H new ATOM 0 HD23 LEU A 70 17.827 4.382 -0.504 1.00 1.03 H new ATOM 1114 N GLY A 71 20.831 1.680 -3.290 1.00 1.16 N ATOM 1115 CA GLY A 71 21.688 1.577 -4.505 1.00 1.26 C ATOM 1116 C GLY A 71 23.046 2.226 -4.223 1.00 1.14 C ATOM 1117 O GLY A 71 23.787 1.790 -3.365 1.00 1.36 O ATOM 0 H GLY A 71 21.017 0.985 -2.567 1.00 1.16 H new ATOM 0 HA2 GLY A 71 21.822 0.531 -4.782 1.00 1.26 H new ATOM 0 HA3 GLY A 71 21.204 2.070 -5.348 1.00 1.26 H new ATOM 1121 N ALA A 72 23.377 3.268 -4.937 1.00 0.81 N ATOM 1122 CA ALA A 72 24.684 3.944 -4.706 1.00 0.69 C ATOM 1123 C ALA A 72 24.676 5.315 -5.385 1.00 0.70 C ATOM 1124 O ALA A 72 25.685 5.780 -5.875 1.00 0.75 O ATOM 1125 CB ALA A 72 25.812 3.090 -5.291 1.00 0.80 C ATOM 0 H ALA A 72 22.799 3.679 -5.670 1.00 0.81 H new ATOM 0 HA ALA A 72 24.843 4.070 -3.635 1.00 0.69 H new ATOM 0 HB1 ALA A 72 26.768 3.585 -5.122 1.00 0.80 H new ATOM 0 HB2 ALA A 72 25.818 2.114 -4.806 1.00 0.80 H new ATOM 0 HB3 ALA A 72 25.654 2.963 -6.362 1.00 0.80 H new ATOM 1131 N THR A 73 23.545 5.967 -5.414 1.00 0.80 N ATOM 1132 CA THR A 73 23.477 7.308 -6.061 1.00 0.86 C ATOM 1133 C THR A 73 22.956 8.336 -5.056 1.00 0.72 C ATOM 1134 O THR A 73 22.324 7.996 -4.075 1.00 0.71 O ATOM 1135 CB THR A 73 22.534 7.247 -7.264 1.00 1.10 C ATOM 1136 OG1 THR A 73 21.878 5.988 -7.288 1.00 1.85 O ATOM 1137 CG2 THR A 73 23.337 7.432 -8.553 1.00 0.93 C ATOM 0 H THR A 73 22.667 5.630 -5.019 1.00 0.80 H new ATOM 0 HA THR A 73 24.473 7.600 -6.394 1.00 0.86 H new ATOM 0 HB THR A 73 21.791 8.041 -7.184 1.00 1.10 H new ATOM 0 HG1 THR A 73 21.273 5.949 -8.058 1.00 1.85 H new ATOM 0 HG21 THR A 73 22.665 7.388 -9.410 1.00 0.93 H new ATOM 0 HG22 THR A 73 23.838 8.400 -8.534 1.00 0.93 H new ATOM 0 HG23 THR A 73 24.081 6.640 -8.635 1.00 0.93 H new ATOM 1145 N ALA A 74 23.215 9.594 -5.292 1.00 0.67 N ATOM 1146 CA ALA A 74 22.733 10.643 -4.351 1.00 0.56 C ATOM 1147 C ALA A 74 21.311 11.057 -4.733 1.00 0.47 C ATOM 1148 O ALA A 74 20.481 11.316 -3.884 1.00 0.56 O ATOM 1149 CB ALA A 74 23.658 11.860 -4.430 1.00 0.55 C ATOM 0 H ALA A 74 23.739 9.939 -6.096 1.00 0.67 H new ATOM 0 HA ALA A 74 22.735 10.249 -3.335 1.00 0.56 H new ATOM 0 HB1 ALA A 74 23.307 12.629 -3.742 1.00 0.55 H new ATOM 0 HB2 ALA A 74 24.671 11.565 -4.158 1.00 0.55 H new ATOM 0 HB3 ALA A 74 23.655 12.254 -5.446 1.00 0.55 H new ATOM 1155 N GLN A 75 21.022 11.121 -6.005 1.00 0.34 N ATOM 1156 CA GLN A 75 19.653 11.518 -6.439 1.00 0.31 C ATOM 1157 C GLN A 75 18.645 10.466 -5.973 1.00 0.33 C ATOM 1158 O GLN A 75 17.545 10.783 -5.565 1.00 0.34 O ATOM 1159 CB GLN A 75 19.612 11.621 -7.964 1.00 0.33 C ATOM 1160 CG GLN A 75 19.928 10.256 -8.577 1.00 2.31 C ATOM 1161 CD GLN A 75 20.198 10.419 -10.075 1.00 2.34 C ATOM 1162 OE1 GLN A 75 19.382 10.959 -10.796 1.00 2.11 O ATOM 1163 NE2 GLN A 75 21.316 9.973 -10.576 1.00 3.09 N ATOM 0 H GLN A 75 21.675 10.916 -6.761 1.00 0.34 H new ATOM 0 HA GLN A 75 19.399 12.484 -6.002 1.00 0.31 H new ATOM 0 HB2 GLN A 75 18.628 11.959 -8.290 1.00 0.33 H new ATOM 0 HB3 GLN A 75 20.334 12.362 -8.308 1.00 0.33 H new ATOM 0 HG2 GLN A 75 20.796 9.817 -8.086 1.00 2.31 H new ATOM 0 HG3 GLN A 75 19.094 9.573 -8.419 1.00 2.31 H new ATOM 0 HE21 GLN A 75 22.001 9.520 -9.971 1.00 3.09 H new ATOM 0 HE22 GLN A 75 21.506 10.077 -11.573 1.00 3.09 H new ATOM 1172 N GLN A 76 19.011 9.215 -6.032 1.00 0.35 N ATOM 1173 CA GLN A 76 18.076 8.141 -5.595 1.00 0.37 C ATOM 1174 C GLN A 76 17.762 8.291 -4.103 1.00 0.39 C ATOM 1175 O GLN A 76 16.747 7.826 -3.629 1.00 0.43 O ATOM 1176 CB GLN A 76 18.716 6.773 -5.844 1.00 0.42 C ATOM 1177 CG GLN A 76 17.620 5.734 -6.086 1.00 1.26 C ATOM 1178 CD GLN A 76 17.545 5.415 -7.580 1.00 1.00 C ATOM 1179 OE1 GLN A 76 17.217 6.268 -8.380 1.00 1.96 O ATOM 1180 NE2 GLN A 76 17.836 4.211 -7.993 1.00 0.87 N ATOM 0 H GLN A 76 19.919 8.890 -6.365 1.00 0.35 H new ATOM 0 HA GLN A 76 17.151 8.223 -6.165 1.00 0.37 H new ATOM 0 HB2 GLN A 76 19.382 6.822 -6.706 1.00 0.42 H new ATOM 0 HB3 GLN A 76 19.324 6.483 -4.987 1.00 0.42 H new ATOM 0 HG2 GLN A 76 17.831 4.827 -5.519 1.00 1.26 H new ATOM 0 HG3 GLN A 76 16.660 6.113 -5.735 1.00 1.26 H new ATOM 0 HE21 GLN A 76 18.112 3.494 -7.322 1.00 0.87 H new ATOM 0 HE22 GLN A 76 17.788 3.987 -8.987 1.00 0.87 H new ATOM 1189 N PHE A 77 18.624 8.932 -3.356 1.00 0.38 N ATOM 1190 CA PHE A 77 18.359 9.098 -1.899 1.00 0.42 C ATOM 1191 C PHE A 77 17.207 10.085 -1.697 1.00 0.39 C ATOM 1192 O PHE A 77 16.256 9.807 -0.993 1.00 0.44 O ATOM 1193 CB PHE A 77 19.616 9.630 -1.206 1.00 0.46 C ATOM 1194 CG PHE A 77 20.068 8.640 -0.159 1.00 0.97 C ATOM 1195 CD1 PHE A 77 19.314 8.463 1.007 1.00 1.56 C ATOM 1196 CD2 PHE A 77 21.238 7.898 -0.356 1.00 1.18 C ATOM 1197 CE1 PHE A 77 19.730 7.543 1.977 1.00 2.06 C ATOM 1198 CE2 PHE A 77 21.654 6.977 0.613 1.00 1.77 C ATOM 1199 CZ PHE A 77 20.901 6.799 1.779 1.00 2.12 C ATOM 0 H PHE A 77 19.494 9.345 -3.691 1.00 0.38 H new ATOM 0 HA PHE A 77 18.089 8.133 -1.469 1.00 0.42 H new ATOM 0 HB2 PHE A 77 20.408 9.790 -1.938 1.00 0.46 H new ATOM 0 HB3 PHE A 77 19.409 10.596 -0.744 1.00 0.46 H new ATOM 0 HD1 PHE A 77 18.411 9.036 1.158 1.00 1.56 H new ATOM 0 HD2 PHE A 77 21.820 8.036 -1.255 1.00 1.18 H new ATOM 0 HE1 PHE A 77 19.149 7.407 2.877 1.00 2.06 H new ATOM 0 HE2 PHE A 77 22.556 6.404 0.461 1.00 1.77 H new ATOM 0 HZ PHE A 77 21.222 6.088 2.526 1.00 2.12 H new ATOM 1209 N HIS A 78 17.284 11.236 -2.308 1.00 0.35 N ATOM 1210 CA HIS A 78 16.191 12.236 -2.149 1.00 0.37 C ATOM 1211 C HIS A 78 14.870 11.620 -2.607 1.00 0.41 C ATOM 1212 O HIS A 78 13.861 11.715 -1.936 1.00 0.52 O ATOM 1213 CB HIS A 78 16.498 13.472 -2.997 1.00 0.36 C ATOM 1214 CG HIS A 78 15.295 14.373 -3.018 1.00 0.40 C ATOM 1215 ND1 HIS A 78 14.406 14.395 -4.082 1.00 0.79 N ATOM 1216 CD2 HIS A 78 14.819 15.289 -2.113 1.00 0.78 C ATOM 1217 CE1 HIS A 78 13.449 15.296 -3.792 1.00 0.91 C ATOM 1218 NE2 HIS A 78 13.653 15.870 -2.603 1.00 0.73 N ATOM 0 H HIS A 78 18.055 11.526 -2.909 1.00 0.35 H new ATOM 0 HA HIS A 78 16.115 12.527 -1.101 1.00 0.37 H new ATOM 0 HB2 HIS A 78 17.357 14.003 -2.588 1.00 0.36 H new ATOM 0 HB3 HIS A 78 16.761 13.174 -4.012 1.00 0.36 H new ATOM 0 HD2 HIS A 78 15.279 15.523 -1.165 1.00 0.78 H new ATOM 0 HE1 HIS A 78 12.617 15.527 -4.441 1.00 0.91 H new ATOM 0 HE2 HIS A 78 13.078 16.581 -2.151 1.00 0.73 H new ATOM 1226 N ARG A 79 14.868 10.986 -3.745 1.00 0.36 N ATOM 1227 CA ARG A 79 13.613 10.361 -4.250 1.00 0.42 C ATOM 1228 C ARG A 79 13.174 9.245 -3.297 1.00 0.35 C ATOM 1229 O ARG A 79 12.005 8.933 -3.190 1.00 0.40 O ATOM 1230 CB ARG A 79 13.858 9.774 -5.641 1.00 0.45 C ATOM 1231 CG ARG A 79 13.677 10.869 -6.695 1.00 0.68 C ATOM 1232 CD ARG A 79 12.249 10.816 -7.241 1.00 1.59 C ATOM 1233 NE ARG A 79 11.825 12.182 -7.663 1.00 2.52 N ATOM 1234 CZ ARG A 79 10.768 12.356 -8.422 1.00 3.12 C ATOM 1235 NH1 ARG A 79 10.051 11.338 -8.834 1.00 3.32 N ATOM 1236 NH2 ARG A 79 10.421 13.564 -8.774 1.00 3.94 N ATOM 0 H ARG A 79 15.682 10.873 -4.349 1.00 0.36 H new ATOM 0 HA ARG A 79 12.831 11.118 -4.306 1.00 0.42 H new ATOM 0 HB2 ARG A 79 14.864 9.360 -5.701 1.00 0.45 H new ATOM 0 HB3 ARG A 79 13.164 8.955 -5.829 1.00 0.45 H new ATOM 0 HG2 ARG A 79 13.875 11.847 -6.257 1.00 0.68 H new ATOM 0 HG3 ARG A 79 14.393 10.732 -7.505 1.00 0.68 H new ATOM 0 HD2 ARG A 79 12.197 10.130 -8.087 1.00 1.59 H new ATOM 0 HD3 ARG A 79 11.571 10.433 -6.478 1.00 1.59 H new ATOM 0 HE ARG A 79 12.364 12.993 -7.358 1.00 2.52 H new ATOM 0 HH11 ARG A 79 10.311 10.389 -8.565 1.00 3.32 H new ATOM 0 HH12 ARG A 79 9.233 11.495 -9.423 1.00 3.32 H new ATOM 0 HH21 ARG A 79 10.970 14.364 -8.460 1.00 3.94 H new ATOM 0 HH22 ARG A 79 9.601 13.708 -9.364 1.00 3.94 H new ATOM 1250 N HIS A 80 14.102 8.643 -2.604 1.00 0.25 N ATOM 1251 CA HIS A 80 13.735 7.552 -1.659 1.00 0.23 C ATOM 1252 C HIS A 80 12.854 8.119 -0.545 1.00 0.39 C ATOM 1253 O HIS A 80 11.823 7.573 -0.219 1.00 0.49 O ATOM 1254 CB HIS A 80 15.005 6.958 -1.047 1.00 0.26 C ATOM 1255 CG HIS A 80 14.862 5.465 -0.944 1.00 0.59 C ATOM 1256 ND1 HIS A 80 13.912 4.866 -0.132 1.00 0.37 N ATOM 1257 CD2 HIS A 80 15.543 4.435 -1.546 1.00 1.93 C ATOM 1258 CE1 HIS A 80 14.045 3.533 -0.265 1.00 0.97 C ATOM 1259 NE2 HIS A 80 15.025 3.216 -1.115 1.00 2.15 N ATOM 0 H HIS A 80 15.098 8.860 -2.652 1.00 0.25 H new ATOM 0 HA HIS A 80 13.191 6.775 -2.196 1.00 0.23 H new ATOM 0 HB2 HIS A 80 15.869 7.210 -1.662 1.00 0.26 H new ATOM 0 HB3 HIS A 80 15.180 7.386 -0.060 1.00 0.26 H new ATOM 0 HD1 HIS A 80 13.235 5.348 0.459 1.00 0.37 H new ATOM 0 HD2 HIS A 80 16.356 4.553 -2.247 1.00 1.93 H new ATOM 0 HE1 HIS A 80 13.434 2.808 0.253 1.00 0.97 H new ATOM 1267 N LYS A 81 13.255 9.213 0.041 1.00 0.53 N ATOM 1268 CA LYS A 81 12.442 9.816 1.135 1.00 0.71 C ATOM 1269 C LYS A 81 11.037 10.156 0.623 1.00 0.61 C ATOM 1270 O LYS A 81 10.100 10.263 1.388 1.00 0.67 O ATOM 1271 CB LYS A 81 13.124 11.093 1.628 1.00 0.86 C ATOM 1272 CG LYS A 81 12.654 11.407 3.049 1.00 1.42 C ATOM 1273 CD LYS A 81 13.826 11.963 3.860 1.00 1.28 C ATOM 1274 CE LYS A 81 14.331 13.249 3.206 1.00 0.81 C ATOM 1275 NZ LYS A 81 14.824 14.184 4.258 1.00 0.85 N ATOM 0 H LYS A 81 14.111 9.716 -0.191 1.00 0.53 H new ATOM 0 HA LYS A 81 12.359 9.100 1.953 1.00 0.71 H new ATOM 0 HB2 LYS A 81 14.207 10.969 1.611 1.00 0.86 H new ATOM 0 HB3 LYS A 81 12.887 11.924 0.963 1.00 0.86 H new ATOM 0 HG2 LYS A 81 11.839 12.131 3.023 1.00 1.42 H new ATOM 0 HG3 LYS A 81 12.265 10.506 3.523 1.00 1.42 H new ATOM 0 HD2 LYS A 81 13.512 12.162 4.885 1.00 1.28 H new ATOM 0 HD3 LYS A 81 14.629 11.228 3.910 1.00 1.28 H new ATOM 0 HE2 LYS A 81 15.132 13.021 2.503 1.00 0.81 H new ATOM 0 HE3 LYS A 81 13.530 13.718 2.635 1.00 0.81 H new ATOM 0 HZ1 LYS A 81 15.167 15.059 3.812 1.00 0.85 H new ATOM 0 HZ2 LYS A 81 14.048 14.411 4.912 1.00 0.85 H new ATOM 0 HZ3 LYS A 81 15.601 13.736 4.784 1.00 0.85 H new ATOM 1289 N GLN A 82 10.879 10.335 -0.662 1.00 0.54 N ATOM 1290 CA GLN A 82 9.534 10.675 -1.209 1.00 0.53 C ATOM 1291 C GLN A 82 8.653 9.424 -1.241 1.00 0.56 C ATOM 1292 O GLN A 82 7.458 9.488 -1.033 1.00 0.63 O ATOM 1293 CB GLN A 82 9.688 11.220 -2.630 1.00 0.52 C ATOM 1294 CG GLN A 82 9.710 12.749 -2.588 1.00 0.08 C ATOM 1295 CD GLN A 82 8.274 13.276 -2.620 1.00 1.00 C ATOM 1296 OE1 GLN A 82 7.363 12.619 -2.157 1.00 2.19 O ATOM 1297 NE2 GLN A 82 8.031 14.442 -3.151 1.00 0.98 N ATOM 0 H GLN A 82 11.623 10.260 -1.356 1.00 0.54 H new ATOM 0 HA GLN A 82 9.068 11.427 -0.573 1.00 0.53 H new ATOM 0 HB2 GLN A 82 10.608 10.844 -3.078 1.00 0.52 H new ATOM 0 HB3 GLN A 82 8.865 10.874 -3.255 1.00 0.52 H new ATOM 0 HG2 GLN A 82 10.216 13.092 -1.685 1.00 0.08 H new ATOM 0 HG3 GLN A 82 10.272 13.140 -3.436 1.00 0.08 H new ATOM 0 HE21 GLN A 82 8.795 14.994 -3.540 1.00 0.98 H new ATOM 0 HE22 GLN A 82 7.077 14.802 -3.177 1.00 0.98 H new ATOM 1306 N LEU A 83 9.232 8.287 -1.508 1.00 0.55 N ATOM 1307 CA LEU A 83 8.432 7.032 -1.563 1.00 0.58 C ATOM 1308 C LEU A 83 8.043 6.601 -0.145 1.00 0.64 C ATOM 1309 O LEU A 83 6.889 6.366 0.151 1.00 0.52 O ATOM 1310 CB LEU A 83 9.274 5.934 -2.214 1.00 0.63 C ATOM 1311 CG LEU A 83 8.430 4.670 -2.383 1.00 0.82 C ATOM 1312 CD1 LEU A 83 8.677 4.078 -3.771 1.00 0.89 C ATOM 1313 CD2 LEU A 83 8.826 3.644 -1.318 1.00 0.78 C ATOM 0 H LEU A 83 10.229 8.173 -1.691 1.00 0.55 H new ATOM 0 HA LEU A 83 7.527 7.202 -2.146 1.00 0.58 H new ATOM 0 HB2 LEU A 83 9.641 6.270 -3.184 1.00 0.63 H new ATOM 0 HB3 LEU A 83 10.148 5.720 -1.599 1.00 0.63 H new ATOM 0 HG LEU A 83 7.375 4.920 -2.273 1.00 0.82 H new ATOM 0 HD11 LEU A 83 8.077 3.177 -3.894 1.00 0.89 H new ATOM 0 HD12 LEU A 83 8.398 4.807 -4.532 1.00 0.89 H new ATOM 0 HD13 LEU A 83 9.733 3.828 -3.877 1.00 0.89 H new ATOM 0 HD21 LEU A 83 8.224 2.743 -1.439 1.00 0.78 H new ATOM 0 HD22 LEU A 83 9.881 3.393 -1.429 1.00 0.78 H new ATOM 0 HD23 LEU A 83 8.655 4.064 -0.327 1.00 0.78 H new ATOM 1325 N ILE A 84 9.006 6.488 0.725 1.00 0.87 N ATOM 1326 CA ILE A 84 8.718 6.065 2.126 1.00 0.94 C ATOM 1327 C ILE A 84 7.742 7.053 2.773 1.00 0.79 C ATOM 1328 O ILE A 84 6.832 6.665 3.479 1.00 0.76 O ATOM 1329 CB ILE A 84 10.031 6.036 2.919 1.00 1.17 C ATOM 1330 CG1 ILE A 84 11.072 5.204 2.169 1.00 1.29 C ATOM 1331 CG2 ILE A 84 9.802 5.403 4.290 1.00 1.34 C ATOM 1332 CD1 ILE A 84 10.449 3.883 1.709 1.00 1.35 C ATOM 0 H ILE A 84 9.989 6.672 0.525 1.00 0.87 H new ATOM 0 HA ILE A 84 8.268 5.072 2.126 1.00 0.94 H new ATOM 0 HB ILE A 84 10.385 7.060 3.039 1.00 1.17 H new ATOM 0 HG12 ILE A 84 11.444 5.760 1.308 1.00 1.29 H new ATOM 0 HG13 ILE A 84 11.928 5.007 2.815 1.00 1.29 H new ATOM 0 HG21 ILE A 84 10.740 5.387 4.845 1.00 1.34 H new ATOM 0 HG22 ILE A 84 9.064 5.986 4.841 1.00 1.34 H new ATOM 0 HG23 ILE A 84 9.438 4.383 4.164 1.00 1.34 H new ATOM 0 HD11 ILE A 84 11.196 3.295 1.175 1.00 1.35 H new ATOM 0 HD12 ILE A 84 10.099 3.324 2.577 1.00 1.35 H new ATOM 0 HD13 ILE A 84 9.608 4.088 1.047 1.00 1.35 H new ATOM 1344 N ARG A 85 7.921 8.325 2.538 1.00 0.75 N ATOM 1345 CA ARG A 85 7.001 9.332 3.141 1.00 0.71 C ATOM 1346 C ARG A 85 5.580 9.099 2.622 1.00 0.50 C ATOM 1347 O ARG A 85 4.622 9.102 3.372 1.00 0.48 O ATOM 1348 CB ARG A 85 7.459 10.740 2.753 1.00 0.80 C ATOM 1349 CG ARG A 85 6.547 11.779 3.412 1.00 0.83 C ATOM 1350 CD ARG A 85 6.851 13.165 2.840 1.00 1.09 C ATOM 1351 NE ARG A 85 5.613 13.731 2.228 1.00 2.69 N ATOM 1352 CZ ARG A 85 5.521 15.010 1.942 1.00 3.32 C ATOM 1353 NH1 ARG A 85 6.517 15.832 2.173 1.00 2.65 N ATOM 1354 NH2 ARG A 85 4.419 15.470 1.418 1.00 4.74 N ATOM 0 H ARG A 85 8.664 8.710 1.955 1.00 0.75 H new ATOM 0 HA ARG A 85 7.014 9.231 4.226 1.00 0.71 H new ATOM 0 HB2 ARG A 85 8.491 10.897 3.067 1.00 0.80 H new ATOM 0 HB3 ARG A 85 7.434 10.855 1.669 1.00 0.80 H new ATOM 0 HG2 ARG A 85 5.502 11.524 3.237 1.00 0.83 H new ATOM 0 HG3 ARG A 85 6.699 11.779 4.491 1.00 0.83 H new ATOM 0 HD2 ARG A 85 7.214 13.824 3.628 1.00 1.09 H new ATOM 0 HD3 ARG A 85 7.641 13.097 2.092 1.00 1.09 H new ATOM 0 HE ARG A 85 4.825 13.115 2.028 1.00 2.69 H new ATOM 0 HH11 ARG A 85 7.383 15.481 2.582 1.00 2.65 H new ATOM 0 HH12 ARG A 85 6.425 16.822 1.944 1.00 2.65 H new ATOM 0 HH21 ARG A 85 3.639 14.839 1.234 1.00 4.74 H new ATOM 0 HH22 ARG A 85 4.337 16.461 1.192 1.00 4.74 H new ATOM 1368 N PHE A 86 5.438 8.898 1.341 1.00 0.35 N ATOM 1369 CA PHE A 86 4.083 8.666 0.767 1.00 0.18 C ATOM 1370 C PHE A 86 3.442 7.457 1.450 1.00 0.16 C ATOM 1371 O PHE A 86 2.248 7.415 1.668 1.00 0.17 O ATOM 1372 CB PHE A 86 4.204 8.398 -0.735 1.00 0.15 C ATOM 1373 CG PHE A 86 3.482 9.481 -1.503 1.00 0.21 C ATOM 1374 CD1 PHE A 86 4.166 10.641 -1.888 1.00 0.44 C ATOM 1375 CD2 PHE A 86 2.131 9.325 -1.831 1.00 0.35 C ATOM 1376 CE1 PHE A 86 3.499 11.643 -2.603 1.00 0.61 C ATOM 1377 CE2 PHE A 86 1.462 10.328 -2.546 1.00 0.45 C ATOM 1378 CZ PHE A 86 2.147 11.486 -2.931 1.00 0.55 C ATOM 0 H PHE A 86 6.203 8.884 0.666 1.00 0.35 H new ATOM 0 HA PHE A 86 3.463 9.548 0.930 1.00 0.18 H new ATOM 0 HB2 PHE A 86 5.254 8.370 -1.026 1.00 0.15 H new ATOM 0 HB3 PHE A 86 3.780 7.423 -0.976 1.00 0.15 H new ATOM 0 HD1 PHE A 86 5.208 10.763 -1.633 1.00 0.44 H new ATOM 0 HD2 PHE A 86 1.603 8.431 -1.533 1.00 0.35 H new ATOM 0 HE1 PHE A 86 4.027 12.537 -2.901 1.00 0.61 H new ATOM 0 HE2 PHE A 86 0.419 10.207 -2.799 1.00 0.45 H new ATOM 0 HZ PHE A 86 1.632 12.259 -3.482 1.00 0.55 H new ATOM 1388 N LEU A 87 4.226 6.471 1.791 1.00 0.26 N ATOM 1389 CA LEU A 87 3.658 5.268 2.462 1.00 0.34 C ATOM 1390 C LEU A 87 3.199 5.642 3.872 1.00 0.25 C ATOM 1391 O LEU A 87 2.219 5.128 4.373 1.00 0.29 O ATOM 1392 CB LEU A 87 4.729 4.178 2.546 1.00 0.51 C ATOM 1393 CG LEU A 87 4.057 2.805 2.577 1.00 1.17 C ATOM 1394 CD1 LEU A 87 4.785 1.857 1.622 1.00 1.41 C ATOM 1395 CD2 LEU A 87 4.118 2.241 3.999 1.00 1.87 C ATOM 0 H LEU A 87 5.234 6.447 1.634 1.00 0.26 H new ATOM 0 HA LEU A 87 2.808 4.898 1.889 1.00 0.34 H new ATOM 0 HB2 LEU A 87 5.401 4.247 1.691 1.00 0.51 H new ATOM 0 HB3 LEU A 87 5.336 4.318 3.440 1.00 0.51 H new ATOM 0 HG LEU A 87 3.017 2.903 2.267 1.00 1.17 H new ATOM 0 HD11 LEU A 87 4.305 0.878 1.645 1.00 1.41 H new ATOM 0 HD12 LEU A 87 4.743 2.258 0.609 1.00 1.41 H new ATOM 0 HD13 LEU A 87 5.826 1.758 1.931 1.00 1.41 H new ATOM 0 HD21 LEU A 87 3.639 1.262 4.023 1.00 1.87 H new ATOM 0 HD22 LEU A 87 5.159 2.144 4.307 1.00 1.87 H new ATOM 0 HD23 LEU A 87 3.599 2.915 4.680 1.00 1.87 H new ATOM 1407 N LYS A 88 3.899 6.538 4.515 1.00 0.16 N ATOM 1408 CA LYS A 88 3.501 6.947 5.891 1.00 0.11 C ATOM 1409 C LYS A 88 2.098 7.553 5.862 1.00 0.17 C ATOM 1410 O LYS A 88 1.285 7.302 6.729 1.00 0.23 O ATOM 1411 CB LYS A 88 4.493 7.985 6.423 1.00 0.14 C ATOM 1412 CG LYS A 88 5.749 7.276 6.934 1.00 0.37 C ATOM 1413 CD LYS A 88 6.341 8.065 8.104 1.00 0.62 C ATOM 1414 CE LYS A 88 6.924 9.381 7.587 1.00 0.98 C ATOM 1415 NZ LYS A 88 6.211 10.526 8.223 1.00 1.37 N ATOM 0 H LYS A 88 4.728 7.003 4.146 1.00 0.16 H new ATOM 0 HA LYS A 88 3.504 6.073 6.542 1.00 0.11 H new ATOM 0 HB2 LYS A 88 4.756 8.690 5.634 1.00 0.14 H new ATOM 0 HB3 LYS A 88 4.036 8.562 7.227 1.00 0.14 H new ATOM 0 HG2 LYS A 88 5.503 6.263 7.252 1.00 0.37 H new ATOM 0 HG3 LYS A 88 6.482 7.189 6.132 1.00 0.37 H new ATOM 0 HD2 LYS A 88 5.571 8.264 8.849 1.00 0.62 H new ATOM 0 HD3 LYS A 88 7.117 7.479 8.596 1.00 0.62 H new ATOM 0 HE2 LYS A 88 7.989 9.432 7.812 1.00 0.98 H new ATOM 0 HE3 LYS A 88 6.824 9.434 6.503 1.00 0.98 H new ATOM 0 HZ1 LYS A 88 6.608 11.421 7.871 1.00 1.37 H new ATOM 0 HZ2 LYS A 88 5.199 10.479 7.987 1.00 1.37 H new ATOM 0 HZ3 LYS A 88 6.328 10.478 9.255 1.00 1.37 H new ATOM 1429 N ARG A 89 1.805 8.351 4.873 1.00 0.18 N ATOM 1430 CA ARG A 89 0.452 8.973 4.796 1.00 0.28 C ATOM 1431 C ARG A 89 -0.597 7.895 4.515 1.00 0.32 C ATOM 1432 O ARG A 89 -1.613 7.814 5.177 1.00 0.38 O ATOM 1433 CB ARG A 89 0.430 10.009 3.671 1.00 0.32 C ATOM 1434 CG ARG A 89 -0.971 10.612 3.567 1.00 0.71 C ATOM 1435 CD ARG A 89 -0.875 12.026 2.993 1.00 0.58 C ATOM 1436 NE ARG A 89 -1.396 12.028 1.597 1.00 0.63 N ATOM 1437 CZ ARG A 89 -1.677 13.153 0.980 1.00 0.75 C ATOM 1438 NH1 ARG A 89 -1.502 14.312 1.567 1.00 0.92 N ATOM 1439 NH2 ARG A 89 -2.139 13.115 -0.239 1.00 1.23 N ATOM 0 H ARG A 89 2.442 8.599 4.116 1.00 0.18 H new ATOM 0 HA ARG A 89 0.225 9.459 5.745 1.00 0.28 H new ATOM 0 HB2 ARG A 89 1.162 10.792 3.868 1.00 0.32 H new ATOM 0 HB3 ARG A 89 0.709 9.543 2.726 1.00 0.32 H new ATOM 0 HG2 ARG A 89 -1.600 9.991 2.929 1.00 0.71 H new ATOM 0 HG3 ARG A 89 -1.441 10.638 4.550 1.00 0.71 H new ATOM 0 HD2 ARG A 89 -1.448 12.720 3.608 1.00 0.58 H new ATOM 0 HD3 ARG A 89 0.160 12.367 3.007 1.00 0.58 H new ATOM 0 HE ARG A 89 -1.537 11.141 1.113 1.00 0.63 H new ATOM 0 HH11 ARG A 89 -1.141 14.352 2.520 1.00 0.92 H new ATOM 0 HH12 ARG A 89 -1.726 15.174 1.070 1.00 0.92 H new ATOM 0 HH21 ARG A 89 -2.279 12.218 -0.704 1.00 1.23 H new ATOM 0 HH22 ARG A 89 -2.361 13.982 -0.728 1.00 1.23 H new ATOM 1453 N LEU A 90 -0.359 7.067 3.537 1.00 0.31 N ATOM 1454 CA LEU A 90 -1.342 5.994 3.212 1.00 0.40 C ATOM 1455 C LEU A 90 -1.415 4.976 4.359 1.00 0.41 C ATOM 1456 O LEU A 90 -2.305 4.151 4.404 1.00 0.46 O ATOM 1457 CB LEU A 90 -0.919 5.284 1.924 1.00 0.44 C ATOM 1458 CG LEU A 90 -2.050 4.371 1.446 1.00 0.65 C ATOM 1459 CD1 LEU A 90 -3.289 5.211 1.127 1.00 1.41 C ATOM 1460 CD2 LEU A 90 -1.604 3.626 0.185 1.00 0.44 C ATOM 0 H LEU A 90 0.473 7.086 2.948 1.00 0.31 H new ATOM 0 HA LEU A 90 -2.325 6.445 3.075 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.680 6.018 1.154 1.00 0.44 H new ATOM 0 HB3 LEU A 90 -0.016 4.700 2.099 1.00 0.44 H new ATOM 0 HG LEU A 90 -2.291 3.653 2.230 1.00 0.65 H new ATOM 0 HD11 LEU A 90 -4.093 4.559 0.787 1.00 1.41 H new ATOM 0 HD12 LEU A 90 -3.608 5.743 2.023 1.00 1.41 H new ATOM 0 HD13 LEU A 90 -3.049 5.930 0.344 1.00 1.41 H new ATOM 0 HD21 LEU A 90 -2.409 2.975 -0.157 1.00 0.44 H new ATOM 0 HD22 LEU A 90 -1.363 4.346 -0.597 1.00 0.44 H new ATOM 0 HD23 LEU A 90 -0.722 3.026 0.410 1.00 0.44 H new ATOM 1472 N ASP A 91 -0.494 5.012 5.287 1.00 0.36 N ATOM 1473 CA ASP A 91 -0.545 4.035 6.408 1.00 0.38 C ATOM 1474 C ASP A 91 -1.756 4.332 7.296 1.00 0.42 C ATOM 1475 O ASP A 91 -2.451 3.434 7.726 1.00 0.49 O ATOM 1476 CB ASP A 91 0.734 4.138 7.240 1.00 0.33 C ATOM 1477 CG ASP A 91 1.282 2.735 7.507 1.00 0.42 C ATOM 1478 OD1 ASP A 91 0.606 1.978 8.185 1.00 0.88 O ATOM 1479 OD2 ASP A 91 2.364 2.440 7.029 1.00 1.29 O ATOM 0 H ASP A 91 0.284 5.671 5.315 1.00 0.36 H new ATOM 0 HA ASP A 91 -0.632 3.028 6.001 1.00 0.38 H new ATOM 0 HB2 ASP A 91 1.477 4.736 6.712 1.00 0.33 H new ATOM 0 HB3 ASP A 91 0.528 4.645 8.183 1.00 0.33 H new ATOM 1484 N ARG A 92 -2.012 5.582 7.582 1.00 0.43 N ATOM 1485 CA ARG A 92 -3.178 5.922 8.452 1.00 0.49 C ATOM 1486 C ARG A 92 -4.434 6.162 7.603 1.00 0.45 C ATOM 1487 O ARG A 92 -5.539 6.097 8.099 1.00 0.51 O ATOM 1488 CB ARG A 92 -2.866 7.176 9.269 1.00 0.52 C ATOM 1489 CG ARG A 92 -3.383 6.992 10.699 1.00 0.84 C ATOM 1490 CD ARG A 92 -2.365 6.194 11.517 1.00 0.52 C ATOM 1491 NE ARG A 92 -1.102 6.981 11.633 1.00 1.79 N ATOM 1492 CZ ARG A 92 -0.179 6.656 12.508 1.00 2.84 C ATOM 1493 NH1 ARG A 92 -0.331 5.631 13.312 1.00 3.00 N ATOM 1494 NH2 ARG A 92 0.913 7.367 12.578 1.00 3.97 N ATOM 0 H ARG A 92 -1.467 6.379 7.253 1.00 0.43 H new ATOM 0 HA ARG A 92 -3.364 5.084 9.124 1.00 0.49 H new ATOM 0 HB2 ARG A 92 -1.791 7.359 9.280 1.00 0.52 H new ATOM 0 HB3 ARG A 92 -3.333 8.048 8.811 1.00 0.52 H new ATOM 0 HG2 ARG A 92 -3.554 7.964 11.162 1.00 0.84 H new ATOM 0 HG3 ARG A 92 -4.341 6.472 10.686 1.00 0.84 H new ATOM 0 HD2 ARG A 92 -2.765 5.979 12.508 1.00 0.52 H new ATOM 0 HD3 ARG A 92 -2.167 5.235 11.038 1.00 0.52 H new ATOM 0 HE ARG A 92 -0.954 7.784 11.022 1.00 1.79 H new ATOM 0 HH11 ARG A 92 -1.180 5.068 13.265 1.00 3.00 H new ATOM 0 HH12 ARG A 92 0.400 5.397 13.984 1.00 3.00 H new ATOM 0 HH21 ARG A 92 1.042 8.166 11.957 1.00 3.97 H new ATOM 0 HH22 ARG A 92 1.637 7.124 13.254 1.00 3.97 H new ATOM 1508 N ASN A 93 -4.284 6.440 6.335 1.00 0.35 N ATOM 1509 CA ASN A 93 -5.487 6.674 5.480 1.00 0.31 C ATOM 1510 C ASN A 93 -6.091 5.325 5.091 1.00 0.31 C ATOM 1511 O ASN A 93 -7.226 5.023 5.403 1.00 0.63 O ATOM 1512 CB ASN A 93 -5.074 7.429 4.214 1.00 0.27 C ATOM 1513 CG ASN A 93 -4.890 8.912 4.538 1.00 0.23 C ATOM 1514 OD1 ASN A 93 -4.208 9.261 5.481 1.00 0.96 O ATOM 1515 ND2 ASN A 93 -5.474 9.807 3.788 1.00 1.11 N ATOM 0 H ASN A 93 -3.387 6.515 5.856 1.00 0.35 H new ATOM 0 HA ASN A 93 -6.221 7.263 6.030 1.00 0.31 H new ATOM 0 HB2 ASN A 93 -4.147 7.015 3.818 1.00 0.27 H new ATOM 0 HB3 ASN A 93 -5.833 7.307 3.442 1.00 0.27 H new ATOM 0 HD21 ASN A 93 -5.358 10.799 3.994 1.00 1.11 H new ATOM 0 HD22 ASN A 93 -6.047 9.514 2.996 1.00 1.11 H new ATOM 1522 N LEU A 94 -5.327 4.510 4.421 1.00 0.40 N ATOM 1523 CA LEU A 94 -5.819 3.165 4.011 1.00 0.28 C ATOM 1524 C LEU A 94 -6.346 2.435 5.251 1.00 0.26 C ATOM 1525 O LEU A 94 -7.416 1.859 5.251 1.00 0.37 O ATOM 1526 CB LEU A 94 -4.642 2.394 3.411 1.00 0.34 C ATOM 1527 CG LEU A 94 -5.140 1.163 2.659 1.00 0.44 C ATOM 1528 CD1 LEU A 94 -5.364 1.516 1.188 1.00 0.84 C ATOM 1529 CD2 LEU A 94 -4.088 0.057 2.767 1.00 0.52 C ATOM 0 H LEU A 94 -4.371 4.721 4.136 1.00 0.40 H new ATOM 0 HA LEU A 94 -6.621 3.247 3.277 1.00 0.28 H new ATOM 0 HB2 LEU A 94 -4.083 3.040 2.734 1.00 0.34 H new ATOM 0 HB3 LEU A 94 -3.956 2.092 4.202 1.00 0.34 H new ATOM 0 HG LEU A 94 -6.081 0.822 3.091 1.00 0.44 H new ATOM 0 HD11 LEU A 94 -5.720 0.636 0.653 1.00 0.84 H new ATOM 0 HD12 LEU A 94 -6.106 2.311 1.113 1.00 0.84 H new ATOM 0 HD13 LEU A 94 -4.426 1.854 0.748 1.00 0.84 H new ATOM 0 HD21 LEU A 94 -4.434 -0.828 2.233 1.00 0.52 H new ATOM 0 HD22 LEU A 94 -3.151 0.402 2.329 1.00 0.52 H new ATOM 0 HD23 LEU A 94 -3.928 -0.192 3.816 1.00 0.52 H new ATOM 1541 N TRP A 95 -5.592 2.485 6.309 1.00 0.61 N ATOM 1542 CA TRP A 95 -5.995 1.836 7.592 1.00 0.89 C ATOM 1543 C TRP A 95 -7.259 2.537 8.103 1.00 0.46 C ATOM 1544 O TRP A 95 -8.131 1.912 8.669 1.00 0.29 O ATOM 1545 CB TRP A 95 -4.797 2.025 8.558 1.00 1.78 C ATOM 1546 CG TRP A 95 -5.030 1.651 10.015 1.00 1.16 C ATOM 1547 CD1 TRP A 95 -6.176 1.751 10.742 1.00 1.63 C ATOM 1548 CD2 TRP A 95 -4.024 1.166 10.952 1.00 1.56 C ATOM 1549 NE1 TRP A 95 -5.924 1.373 12.044 1.00 1.43 N ATOM 1550 CE2 TRP A 95 -4.618 0.997 12.223 1.00 0.88 C ATOM 1551 CE3 TRP A 95 -2.664 0.855 10.814 1.00 3.06 C ATOM 1552 CZ2 TRP A 95 -3.891 0.548 13.320 1.00 1.43 C ATOM 1553 CZ3 TRP A 95 -1.924 0.396 11.916 1.00 3.72 C ATOM 1554 CH2 TRP A 95 -2.540 0.244 13.168 1.00 2.86 C ATOM 0 H TRP A 95 -4.690 2.960 6.343 1.00 0.61 H new ATOM 0 HA TRP A 95 -6.223 0.775 7.490 1.00 0.89 H new ATOM 0 HB2 TRP A 95 -3.961 1.433 8.184 1.00 1.78 H new ATOM 0 HB3 TRP A 95 -4.490 3.070 8.520 1.00 1.78 H new ATOM 0 HD1 TRP A 95 -7.132 2.075 10.359 1.00 1.63 H new ATOM 0 HE1 TRP A 95 -6.625 1.373 12.785 1.00 1.43 H new ATOM 0 HE3 TRP A 95 -2.182 0.969 9.854 1.00 3.06 H new ATOM 0 HZ2 TRP A 95 -4.370 0.436 14.282 1.00 1.43 H new ATOM 0 HZ3 TRP A 95 -0.877 0.159 11.800 1.00 3.72 H new ATOM 0 HH2 TRP A 95 -1.967 -0.108 14.013 1.00 2.86 H new ATOM 1565 N GLY A 96 -7.348 3.832 7.905 1.00 0.68 N ATOM 1566 CA GLY A 96 -8.533 4.622 8.381 1.00 1.06 C ATOM 1567 C GLY A 96 -9.831 3.846 8.165 1.00 0.86 C ATOM 1568 O GLY A 96 -10.698 3.816 9.016 1.00 0.96 O ATOM 0 H GLY A 96 -6.638 4.385 7.425 1.00 0.68 H new ATOM 0 HA2 GLY A 96 -8.417 4.856 9.439 1.00 1.06 H new ATOM 0 HA3 GLY A 96 -8.580 5.571 7.848 1.00 1.06 H new ATOM 1572 N LEU A 97 -9.968 3.209 7.043 1.00 0.89 N ATOM 1573 CA LEU A 97 -11.210 2.427 6.786 1.00 1.34 C ATOM 1574 C LEU A 97 -11.017 0.982 7.268 1.00 1.42 C ATOM 1575 O LEU A 97 -11.961 0.303 7.620 1.00 1.92 O ATOM 1576 CB LEU A 97 -11.514 2.432 5.286 1.00 1.54 C ATOM 1577 CG LEU A 97 -12.366 3.655 4.942 1.00 0.93 C ATOM 1578 CD1 LEU A 97 -11.476 4.754 4.357 1.00 0.78 C ATOM 1579 CD2 LEU A 97 -13.431 3.259 3.917 1.00 1.52 C ATOM 0 H LEU A 97 -9.278 3.193 6.292 1.00 0.89 H new ATOM 0 HA LEU A 97 -12.042 2.879 7.326 1.00 1.34 H new ATOM 0 HB2 LEU A 97 -10.585 2.451 4.716 1.00 1.54 H new ATOM 0 HB3 LEU A 97 -12.040 1.519 5.008 1.00 1.54 H new ATOM 0 HG LEU A 97 -12.849 4.027 5.846 1.00 0.93 H new ATOM 0 HD11 LEU A 97 -12.085 5.624 4.113 1.00 0.78 H new ATOM 0 HD12 LEU A 97 -10.718 5.036 5.088 1.00 0.78 H new ATOM 0 HD13 LEU A 97 -10.990 4.386 3.453 1.00 0.78 H new ATOM 0 HD21 LEU A 97 -14.040 4.129 3.670 1.00 1.52 H new ATOM 0 HD22 LEU A 97 -12.947 2.887 3.014 1.00 1.52 H new ATOM 0 HD23 LEU A 97 -14.066 2.479 4.336 1.00 1.52 H new ATOM 1591 N ALA A 98 -9.802 0.502 7.258 1.00 1.17 N ATOM 1592 CA ALA A 98 -9.533 -0.902 7.682 1.00 1.65 C ATOM 1593 C ALA A 98 -9.606 -1.076 9.203 1.00 2.09 C ATOM 1594 O ALA A 98 -10.516 -1.686 9.726 1.00 2.34 O ATOM 1595 CB ALA A 98 -8.126 -1.298 7.228 1.00 1.68 C ATOM 0 H ALA A 98 -8.977 1.028 6.971 1.00 1.17 H new ATOM 0 HA ALA A 98 -10.298 -1.532 7.227 1.00 1.65 H new ATOM 0 HB1 ALA A 98 -7.920 -2.324 7.534 1.00 1.68 H new ATOM 0 HB2 ALA A 98 -8.059 -1.223 6.143 1.00 1.68 H new ATOM 0 HB3 ALA A 98 -7.395 -0.630 7.684 1.00 1.68 H new ATOM 1601 N GLY A 99 -8.615 -0.602 9.904 1.00 2.27 N ATOM 1602 CA GLY A 99 -8.573 -0.800 11.378 1.00 2.77 C ATOM 1603 C GLY A 99 -7.698 -2.026 11.634 1.00 3.30 C ATOM 1604 O GLY A 99 -8.159 -3.149 11.650 1.00 3.81 O ATOM 0 H GLY A 99 -7.827 -0.083 9.516 1.00 2.27 H new ATOM 0 HA2 GLY A 99 -8.162 0.079 11.875 1.00 2.77 H new ATOM 0 HA3 GLY A 99 -9.576 -0.951 11.777 1.00 2.77 H new ATOM 1608 N LEU A 100 -6.427 -1.806 11.785 1.00 3.34 N ATOM 1609 CA LEU A 100 -5.468 -2.928 11.984 1.00 3.96 C ATOM 1610 C LEU A 100 -5.427 -3.373 13.448 1.00 2.96 C ATOM 1611 O LEU A 100 -4.646 -4.229 13.813 1.00 3.61 O ATOM 1612 CB LEU A 100 -4.086 -2.443 11.540 1.00 5.06 C ATOM 1613 CG LEU A 100 -3.061 -3.578 11.556 1.00 6.80 C ATOM 1614 CD1 LEU A 100 -3.596 -4.794 10.801 1.00 6.82 C ATOM 1615 CD2 LEU A 100 -1.789 -3.081 10.872 1.00 8.19 C ATOM 0 H LEU A 100 -6.001 -0.879 11.779 1.00 3.34 H new ATOM 0 HA LEU A 100 -5.784 -3.789 11.395 1.00 3.96 H new ATOM 0 HB2 LEU A 100 -4.152 -2.025 10.536 1.00 5.06 H new ATOM 0 HB3 LEU A 100 -3.752 -1.641 12.198 1.00 5.06 H new ATOM 0 HG LEU A 100 -2.858 -3.872 12.586 1.00 6.80 H new ATOM 0 HD11 LEU A 100 -2.853 -5.592 10.823 1.00 6.82 H new ATOM 0 HD12 LEU A 100 -4.515 -5.141 11.274 1.00 6.82 H new ATOM 0 HD13 LEU A 100 -3.802 -4.518 9.767 1.00 6.82 H new ATOM 0 HD21 LEU A 100 -1.042 -3.875 10.871 1.00 8.19 H new ATOM 0 HD22 LEU A 100 -2.016 -2.796 9.845 1.00 8.19 H new ATOM 0 HD23 LEU A 100 -1.400 -2.217 11.411 1.00 8.19 H new ATOM 1627 N ASN A 101 -6.272 -2.845 14.290 1.00 1.91 N ATOM 1628 CA ASN A 101 -6.261 -3.309 15.698 1.00 0.99 C ATOM 1629 C ASN A 101 -6.557 -4.811 15.686 1.00 1.10 C ATOM 1630 O ASN A 101 -5.670 -5.630 15.825 1.00 2.17 O ATOM 1631 CB ASN A 101 -7.336 -2.568 16.498 1.00 0.91 C ATOM 1632 CG ASN A 101 -6.944 -1.096 16.638 1.00 2.37 C ATOM 1633 OD1 ASN A 101 -7.722 -0.217 16.327 1.00 3.13 O ATOM 1634 ND2 ASN A 101 -5.761 -0.788 17.093 1.00 2.99 N ATOM 0 H ASN A 101 -6.958 -2.124 14.066 1.00 1.91 H new ATOM 0 HA ASN A 101 -5.295 -3.112 16.163 1.00 0.99 H new ATOM 0 HB2 ASN A 101 -8.300 -2.652 15.997 1.00 0.91 H new ATOM 0 HB3 ASN A 101 -7.448 -3.021 17.483 1.00 0.91 H new ATOM 0 HD21 ASN A 101 -5.490 0.191 17.187 1.00 2.99 H new ATOM 0 HD22 ASN A 101 -5.107 -1.526 17.354 1.00 2.99 H new ATOM 1641 N SER A 102 -7.792 -5.177 15.487 1.00 1.53 N ATOM 1642 CA SER A 102 -8.144 -6.622 15.429 1.00 2.77 C ATOM 1643 C SER A 102 -8.085 -7.097 13.972 1.00 2.41 C ATOM 1644 O SER A 102 -9.098 -7.376 13.363 1.00 2.40 O ATOM 1645 CB SER A 102 -9.560 -6.824 15.969 1.00 3.99 C ATOM 1646 OG SER A 102 -9.612 -6.385 17.319 1.00 4.65 O ATOM 0 H SER A 102 -8.575 -4.535 15.362 1.00 1.53 H new ATOM 0 HA SER A 102 -7.440 -7.194 16.033 1.00 2.77 H new ATOM 0 HB2 SER A 102 -10.275 -6.266 15.365 1.00 3.99 H new ATOM 0 HB3 SER A 102 -9.840 -7.875 15.905 1.00 3.99 H new ATOM 0 HG SER A 102 -10.519 -6.511 17.669 1.00 4.65 H new ATOM 1652 N CYS A 103 -6.913 -7.189 13.402 1.00 2.19 N ATOM 1653 CA CYS A 103 -6.812 -7.640 11.987 1.00 1.89 C ATOM 1654 C CYS A 103 -5.597 -8.567 11.841 1.00 1.83 C ATOM 1655 O CYS A 103 -4.527 -8.127 11.471 1.00 1.80 O ATOM 1656 CB CYS A 103 -6.655 -6.415 11.076 1.00 1.76 C ATOM 1657 SG CYS A 103 -6.193 -6.942 9.402 1.00 1.12 S ATOM 0 H CYS A 103 -6.025 -6.972 13.855 1.00 2.19 H new ATOM 0 HA CYS A 103 -7.713 -8.183 11.701 1.00 1.89 H new ATOM 0 HB2 CYS A 103 -7.588 -5.853 11.045 1.00 1.76 H new ATOM 0 HB3 CYS A 103 -5.894 -5.747 11.479 1.00 1.76 H new ATOM 1662 N PRO A 104 -5.798 -9.828 12.144 1.00 1.87 N ATOM 1663 CA PRO A 104 -4.728 -10.834 12.054 1.00 1.81 C ATOM 1664 C PRO A 104 -4.145 -10.847 10.642 1.00 1.52 C ATOM 1665 O PRO A 104 -4.681 -11.463 9.741 1.00 1.49 O ATOM 1666 CB PRO A 104 -5.413 -12.169 12.382 1.00 1.94 C ATOM 1667 CG PRO A 104 -6.886 -11.861 12.753 1.00 2.14 C ATOM 1668 CD PRO A 104 -7.101 -10.348 12.593 1.00 2.05 C ATOM 0 HA PRO A 104 -3.900 -10.631 12.733 1.00 1.81 H new ATOM 0 HB2 PRO A 104 -5.366 -12.843 11.527 1.00 1.94 H new ATOM 0 HB3 PRO A 104 -4.906 -12.667 13.209 1.00 1.94 H new ATOM 0 HG2 PRO A 104 -7.567 -12.415 12.107 1.00 2.14 H new ATOM 0 HG3 PRO A 104 -7.095 -12.171 13.777 1.00 2.14 H new ATOM 0 HD2 PRO A 104 -7.884 -10.135 11.865 1.00 2.05 H new ATOM 0 HD3 PRO A 104 -7.407 -9.890 13.534 1.00 2.05 H new ATOM 1676 N VAL A 105 -3.059 -10.152 10.444 1.00 1.53 N ATOM 1677 CA VAL A 105 -2.435 -10.096 9.090 1.00 1.48 C ATOM 1678 C VAL A 105 -2.227 -11.508 8.535 1.00 1.65 C ATOM 1679 O VAL A 105 -1.260 -12.173 8.848 1.00 1.59 O ATOM 1680 CB VAL A 105 -1.084 -9.382 9.174 1.00 1.58 C ATOM 1681 CG1 VAL A 105 -1.311 -7.909 9.510 1.00 2.87 C ATOM 1682 CG2 VAL A 105 -0.225 -10.030 10.262 1.00 2.92 C ATOM 0 H VAL A 105 -2.574 -9.618 11.165 1.00 1.53 H new ATOM 0 HA VAL A 105 -3.102 -9.549 8.424 1.00 1.48 H new ATOM 0 HB VAL A 105 -0.570 -9.463 8.216 1.00 1.58 H new ATOM 0 HG11 VAL A 105 -0.350 -7.397 9.571 1.00 2.87 H new ATOM 0 HG12 VAL A 105 -1.919 -7.448 8.732 1.00 2.87 H new ATOM 0 HG13 VAL A 105 -1.826 -7.829 10.468 1.00 2.87 H new ATOM 0 HG21 VAL A 105 0.736 -9.519 10.319 1.00 2.92 H new ATOM 0 HG22 VAL A 105 -0.735 -9.952 11.222 1.00 2.92 H new ATOM 0 HG23 VAL A 105 -0.064 -11.081 10.021 1.00 2.92 H new ATOM 1692 N LYS A 106 -3.121 -11.966 7.696 1.00 2.24 N ATOM 1693 CA LYS A 106 -2.960 -13.327 7.108 1.00 2.75 C ATOM 1694 C LYS A 106 -1.835 -13.287 6.071 1.00 2.50 C ATOM 1695 O LYS A 106 -2.018 -12.841 4.957 1.00 3.97 O ATOM 1696 CB LYS A 106 -4.266 -13.760 6.431 1.00 4.38 C ATOM 1697 CG LYS A 106 -4.707 -15.116 6.988 1.00 5.16 C ATOM 1698 CD LYS A 106 -3.907 -16.234 6.314 1.00 5.47 C ATOM 1699 CE LYS A 106 -4.557 -16.598 4.977 1.00 7.25 C ATOM 1700 NZ LYS A 106 -3.499 -16.758 3.939 1.00 7.93 N ATOM 0 H LYS A 106 -3.952 -11.457 7.394 1.00 2.24 H new ATOM 0 HA LYS A 106 -2.716 -14.040 7.895 1.00 2.75 H new ATOM 0 HB2 LYS A 106 -5.042 -13.014 6.604 1.00 4.38 H new ATOM 0 HB3 LYS A 106 -4.124 -13.827 5.352 1.00 4.38 H new ATOM 0 HG2 LYS A 106 -4.553 -15.145 8.067 1.00 5.16 H new ATOM 0 HG3 LYS A 106 -5.773 -15.262 6.814 1.00 5.16 H new ATOM 0 HD2 LYS A 106 -2.878 -15.912 6.154 1.00 5.47 H new ATOM 0 HD3 LYS A 106 -3.870 -17.110 6.962 1.00 5.47 H new ATOM 0 HE2 LYS A 106 -5.127 -17.522 5.077 1.00 7.25 H new ATOM 0 HE3 LYS A 106 -5.260 -15.821 4.678 1.00 7.25 H new ATOM 0 HZ1 LYS A 106 -3.502 -15.930 3.309 1.00 7.93 H new ATOM 0 HZ2 LYS A 106 -2.570 -16.839 4.400 1.00 7.93 H new ATOM 0 HZ3 LYS A 106 -3.685 -17.617 3.383 1.00 7.93 H new ATOM 1714 N GLU A 107 -0.666 -13.734 6.439 1.00 1.86 N ATOM 1715 CA GLU A 107 0.481 -13.706 5.487 1.00 3.26 C ATOM 1716 C GLU A 107 0.511 -14.975 4.648 1.00 1.92 C ATOM 1717 O GLU A 107 0.505 -16.079 5.154 1.00 2.51 O ATOM 1718 CB GLU A 107 1.787 -13.595 6.271 1.00 5.32 C ATOM 1719 CG GLU A 107 2.015 -12.141 6.678 1.00 6.66 C ATOM 1720 CD GLU A 107 3.390 -12.007 7.335 1.00 8.75 C ATOM 1721 OE1 GLU A 107 3.664 -12.768 8.248 1.00 9.05 O ATOM 1722 OE2 GLU A 107 4.146 -11.148 6.911 1.00 10.14 O ATOM 0 H GLU A 107 -0.455 -14.118 7.360 1.00 1.86 H new ATOM 0 HA GLU A 107 0.365 -12.847 4.826 1.00 3.26 H new ATOM 0 HB2 GLU A 107 1.747 -14.230 7.156 1.00 5.32 H new ATOM 0 HB3 GLU A 107 2.620 -13.948 5.663 1.00 5.32 H new ATOM 0 HG2 GLU A 107 1.953 -11.493 5.804 1.00 6.66 H new ATOM 0 HG3 GLU A 107 1.236 -11.819 7.369 1.00 6.66 H new ATOM 1729 N ALA A 108 0.568 -14.812 3.360 1.00 1.38 N ATOM 1730 CA ALA A 108 0.627 -15.982 2.453 1.00 0.14 C ATOM 1731 C ALA A 108 2.092 -16.371 2.263 1.00 0.21 C ATOM 1732 O ALA A 108 2.928 -16.109 3.105 1.00 0.40 O ATOM 1733 CB ALA A 108 0.004 -15.599 1.110 1.00 1.64 C ATOM 0 H ALA A 108 0.576 -13.905 2.893 1.00 1.38 H new ATOM 0 HA ALA A 108 0.078 -16.825 2.872 1.00 0.14 H new ATOM 0 HB1 ALA A 108 0.042 -16.453 0.434 1.00 1.64 H new ATOM 0 HB2 ALA A 108 -1.034 -15.302 1.262 1.00 1.64 H new ATOM 0 HB3 ALA A 108 0.559 -14.768 0.675 1.00 1.64 H new ATOM 1739 N ASP A 109 2.414 -16.986 1.165 1.00 0.43 N ATOM 1740 CA ASP A 109 3.828 -17.384 0.920 1.00 0.46 C ATOM 1741 C ASP A 109 4.655 -16.129 0.634 1.00 0.39 C ATOM 1742 O ASP A 109 4.170 -15.020 0.743 1.00 0.56 O ATOM 1743 CB ASP A 109 3.894 -18.331 -0.282 1.00 0.52 C ATOM 1744 CG ASP A 109 4.709 -19.571 0.088 1.00 0.96 C ATOM 1745 OD1 ASP A 109 5.738 -19.412 0.725 1.00 1.55 O ATOM 1746 OD2 ASP A 109 4.291 -20.660 -0.271 1.00 1.37 O ATOM 0 H ASP A 109 1.759 -17.232 0.423 1.00 0.43 H new ATOM 0 HA ASP A 109 4.226 -17.894 1.797 1.00 0.46 H new ATOM 0 HB2 ASP A 109 2.888 -18.621 -0.585 1.00 0.52 H new ATOM 0 HB3 ASP A 109 4.349 -17.824 -1.133 1.00 0.52 H new ATOM 1751 N GLN A 110 5.896 -16.288 0.269 1.00 0.44 N ATOM 1752 CA GLN A 110 6.738 -15.094 -0.022 1.00 0.37 C ATOM 1753 C GLN A 110 6.568 -14.704 -1.491 1.00 0.37 C ATOM 1754 O GLN A 110 7.326 -15.117 -2.347 1.00 0.38 O ATOM 1755 CB GLN A 110 8.207 -15.418 0.261 1.00 0.32 C ATOM 1756 CG GLN A 110 8.843 -14.262 1.036 1.00 0.50 C ATOM 1757 CD GLN A 110 8.587 -14.448 2.534 1.00 1.04 C ATOM 1758 OE1 GLN A 110 8.024 -15.443 2.947 1.00 1.34 O ATOM 1759 NE2 GLN A 110 8.982 -13.528 3.372 1.00 1.75 N ATOM 0 H GLN A 110 6.362 -17.188 0.160 1.00 0.44 H new ATOM 0 HA GLN A 110 6.428 -14.264 0.613 1.00 0.37 H new ATOM 0 HB2 GLN A 110 8.283 -16.341 0.836 1.00 0.32 H new ATOM 0 HB3 GLN A 110 8.742 -15.581 -0.675 1.00 0.32 H new ATOM 0 HG2 GLN A 110 9.915 -14.226 0.841 1.00 0.50 H new ATOM 0 HG3 GLN A 110 8.426 -13.312 0.700 1.00 0.50 H new ATOM 0 HE21 GLN A 110 9.455 -12.693 3.027 1.00 1.75 H new ATOM 0 HE22 GLN A 110 8.818 -13.645 4.372 1.00 1.75 H new ATOM 1768 N SER A 111 5.579 -13.910 -1.788 1.00 0.46 N ATOM 1769 CA SER A 111 5.360 -13.488 -3.199 1.00 0.45 C ATOM 1770 C SER A 111 6.383 -12.411 -3.558 1.00 0.61 C ATOM 1771 O SER A 111 7.303 -12.148 -2.814 1.00 1.12 O ATOM 1772 CB SER A 111 3.948 -12.917 -3.345 1.00 0.25 C ATOM 1773 OG SER A 111 3.800 -11.807 -2.469 1.00 0.97 O ATOM 0 H SER A 111 4.912 -13.534 -1.114 1.00 0.46 H new ATOM 0 HA SER A 111 5.475 -14.344 -3.864 1.00 0.45 H new ATOM 0 HB2 SER A 111 3.772 -12.608 -4.376 1.00 0.25 H new ATOM 0 HB3 SER A 111 3.207 -13.682 -3.111 1.00 0.25 H new ATOM 0 HG SER A 111 2.897 -11.437 -2.560 1.00 0.97 H new ATOM 1779 N THR A 112 6.224 -11.780 -4.685 1.00 0.44 N ATOM 1780 CA THR A 112 7.184 -10.712 -5.074 1.00 0.48 C ATOM 1781 C THR A 112 6.496 -9.354 -4.937 1.00 0.38 C ATOM 1782 O THR A 112 5.323 -9.213 -5.219 1.00 0.26 O ATOM 1783 CB THR A 112 7.639 -10.926 -6.521 1.00 0.58 C ATOM 1784 OG1 THR A 112 6.504 -10.994 -7.373 1.00 0.59 O ATOM 1785 CG2 THR A 112 8.430 -12.233 -6.612 1.00 0.62 C ATOM 0 H THR A 112 5.473 -11.956 -5.353 1.00 0.44 H new ATOM 0 HA THR A 112 8.058 -10.746 -4.424 1.00 0.48 H new ATOM 0 HB THR A 112 8.271 -10.094 -6.833 1.00 0.58 H new ATOM 0 HG1 THR A 112 6.797 -11.129 -8.298 1.00 0.59 H new ATOM 0 HG21 THR A 112 8.756 -12.390 -7.640 1.00 0.62 H new ATOM 0 HG22 THR A 112 9.301 -12.177 -5.959 1.00 0.62 H new ATOM 0 HG23 THR A 112 7.797 -13.064 -6.301 1.00 0.62 H new ATOM 1793 N LEU A 113 7.208 -8.357 -4.491 1.00 0.46 N ATOM 1794 CA LEU A 113 6.581 -7.016 -4.321 1.00 0.44 C ATOM 1795 C LEU A 113 6.124 -6.461 -5.676 1.00 0.41 C ATOM 1796 O LEU A 113 5.350 -5.529 -5.735 1.00 0.40 O ATOM 1797 CB LEU A 113 7.587 -6.055 -3.685 1.00 0.56 C ATOM 1798 CG LEU A 113 6.864 -4.796 -3.200 1.00 0.57 C ATOM 1799 CD1 LEU A 113 5.828 -5.174 -2.139 1.00 0.76 C ATOM 1800 CD2 LEU A 113 7.879 -3.833 -2.588 1.00 1.10 C ATOM 0 H LEU A 113 8.194 -8.412 -4.237 1.00 0.46 H new ATOM 0 HA LEU A 113 5.711 -7.116 -3.672 1.00 0.44 H new ATOM 0 HB2 LEU A 113 8.091 -6.541 -2.849 1.00 0.56 H new ATOM 0 HB3 LEU A 113 8.357 -5.788 -4.409 1.00 0.56 H new ATOM 0 HG LEU A 113 6.365 -4.320 -4.044 1.00 0.57 H new ATOM 0 HD11 LEU A 113 5.315 -4.276 -1.795 1.00 0.76 H new ATOM 0 HD12 LEU A 113 5.102 -5.865 -2.569 1.00 0.76 H new ATOM 0 HD13 LEU A 113 6.328 -5.651 -1.296 1.00 0.76 H new ATOM 0 HD21 LEU A 113 7.366 -2.936 -2.242 1.00 1.10 H new ATOM 0 HD22 LEU A 113 8.376 -4.315 -1.746 1.00 1.10 H new ATOM 0 HD23 LEU A 113 8.621 -3.560 -3.339 1.00 1.10 H new ATOM 1812 N GLU A 114 6.584 -7.016 -6.767 1.00 0.45 N ATOM 1813 CA GLU A 114 6.147 -6.497 -8.095 1.00 0.42 C ATOM 1814 C GLU A 114 4.675 -6.850 -8.309 1.00 0.34 C ATOM 1815 O GLU A 114 3.875 -6.025 -8.706 1.00 0.41 O ATOM 1816 CB GLU A 114 6.992 -7.134 -9.198 1.00 0.48 C ATOM 1817 CG GLU A 114 7.792 -6.047 -9.918 1.00 0.50 C ATOM 1818 CD GLU A 114 8.554 -6.665 -11.090 1.00 0.73 C ATOM 1819 OE1 GLU A 114 9.002 -7.791 -10.953 1.00 1.00 O ATOM 1820 OE2 GLU A 114 8.678 -6.001 -12.107 1.00 1.36 O ATOM 0 H GLU A 114 7.237 -7.799 -6.796 1.00 0.45 H new ATOM 0 HA GLU A 114 6.274 -5.415 -8.126 1.00 0.42 H new ATOM 0 HB2 GLU A 114 7.667 -7.875 -8.771 1.00 0.48 H new ATOM 0 HB3 GLU A 114 6.350 -7.658 -9.906 1.00 0.48 H new ATOM 0 HG2 GLU A 114 7.122 -5.266 -10.278 1.00 0.50 H new ATOM 0 HG3 GLU A 114 8.489 -5.575 -9.226 1.00 0.50 H new ATOM 1827 N ASN A 115 4.313 -8.075 -8.046 1.00 0.25 N ATOM 1828 CA ASN A 115 2.894 -8.495 -8.228 1.00 0.22 C ATOM 1829 C ASN A 115 2.024 -7.911 -7.107 1.00 0.12 C ATOM 1830 O ASN A 115 0.820 -7.825 -7.235 1.00 0.21 O ATOM 1831 CB ASN A 115 2.807 -10.023 -8.194 1.00 0.30 C ATOM 1832 CG ASN A 115 3.382 -10.594 -9.490 1.00 1.04 C ATOM 1833 OD1 ASN A 115 4.096 -9.917 -10.203 1.00 2.00 O ATOM 1834 ND2 ASN A 115 3.098 -11.821 -9.829 1.00 1.44 N ATOM 0 H ASN A 115 4.941 -8.806 -7.712 1.00 0.25 H new ATOM 0 HA ASN A 115 2.534 -8.126 -9.188 1.00 0.22 H new ATOM 0 HB2 ASN A 115 3.358 -10.410 -7.337 1.00 0.30 H new ATOM 0 HB3 ASN A 115 1.770 -10.336 -8.074 1.00 0.30 H new ATOM 0 HD21 ASN A 115 3.475 -12.212 -10.692 1.00 1.44 H new ATOM 0 HD22 ASN A 115 2.499 -12.390 -9.231 1.00 1.44 H new ATOM 1841 N PHE A 116 2.614 -7.507 -6.011 1.00 0.11 N ATOM 1842 CA PHE A 116 1.801 -6.930 -4.903 1.00 0.25 C ATOM 1843 C PHE A 116 1.363 -5.514 -5.281 1.00 0.30 C ATOM 1844 O PHE A 116 0.210 -5.152 -5.150 1.00 0.40 O ATOM 1845 CB PHE A 116 2.643 -6.875 -3.626 1.00 0.33 C ATOM 1846 CG PHE A 116 1.848 -6.210 -2.526 1.00 0.25 C ATOM 1847 CD1 PHE A 116 0.709 -6.839 -2.007 1.00 0.15 C ATOM 1848 CD2 PHE A 116 2.251 -4.966 -2.026 1.00 0.28 C ATOM 1849 CE1 PHE A 116 -0.027 -6.221 -0.987 1.00 0.08 C ATOM 1850 CE2 PHE A 116 1.516 -4.350 -1.006 1.00 0.23 C ATOM 1851 CZ PHE A 116 0.377 -4.978 -0.486 1.00 0.14 C ATOM 0 H PHE A 116 3.618 -7.552 -5.838 1.00 0.11 H new ATOM 0 HA PHE A 116 0.923 -7.553 -4.734 1.00 0.25 H new ATOM 0 HB2 PHE A 116 2.930 -7.882 -3.324 1.00 0.33 H new ATOM 0 HB3 PHE A 116 3.564 -6.322 -3.809 1.00 0.33 H new ATOM 0 HD1 PHE A 116 0.398 -7.799 -2.392 1.00 0.15 H new ATOM 0 HD2 PHE A 116 3.129 -4.481 -2.427 1.00 0.28 H new ATOM 0 HE1 PHE A 116 -0.906 -6.704 -0.587 1.00 0.08 H new ATOM 0 HE2 PHE A 116 1.827 -3.391 -0.620 1.00 0.23 H new ATOM 0 HZ PHE A 116 -0.189 -4.503 0.301 1.00 0.14 H new ATOM 1861 N LEU A 117 2.276 -4.713 -5.754 1.00 0.40 N ATOM 1862 CA LEU A 117 1.922 -3.322 -6.147 1.00 0.51 C ATOM 1863 C LEU A 117 0.997 -3.366 -7.363 1.00 0.42 C ATOM 1864 O LEU A 117 0.122 -2.540 -7.520 1.00 0.43 O ATOM 1865 CB LEU A 117 3.196 -2.552 -6.502 1.00 0.64 C ATOM 1866 CG LEU A 117 3.362 -1.369 -5.546 1.00 0.71 C ATOM 1867 CD1 LEU A 117 2.195 -0.397 -5.726 1.00 1.55 C ATOM 1868 CD2 LEU A 117 3.384 -1.878 -4.103 1.00 1.05 C ATOM 0 H LEU A 117 3.256 -4.963 -5.886 1.00 0.40 H new ATOM 0 HA LEU A 117 1.418 -2.823 -5.319 1.00 0.51 H new ATOM 0 HB2 LEU A 117 4.062 -3.211 -6.436 1.00 0.64 H new ATOM 0 HB3 LEU A 117 3.144 -2.197 -7.531 1.00 0.64 H new ATOM 0 HG LEU A 117 4.298 -0.855 -5.765 1.00 0.71 H new ATOM 0 HD11 LEU A 117 2.314 0.445 -5.044 1.00 1.55 H new ATOM 0 HD12 LEU A 117 2.180 -0.033 -6.753 1.00 1.55 H new ATOM 0 HD13 LEU A 117 1.258 -0.909 -5.509 1.00 1.55 H new ATOM 0 HD21 LEU A 117 3.502 -1.035 -3.422 1.00 1.05 H new ATOM 0 HD22 LEU A 117 2.448 -2.393 -3.884 1.00 1.05 H new ATOM 0 HD23 LEU A 117 4.217 -2.569 -3.974 1.00 1.05 H new ATOM 1880 N GLU A 118 1.184 -4.331 -8.221 1.00 0.33 N ATOM 1881 CA GLU A 118 0.315 -4.435 -9.426 1.00 0.27 C ATOM 1882 C GLU A 118 -1.128 -4.685 -8.985 1.00 0.18 C ATOM 1883 O GLU A 118 -2.022 -3.915 -9.278 1.00 0.12 O ATOM 1884 CB GLU A 118 0.801 -5.598 -10.298 1.00 0.26 C ATOM 1885 CG GLU A 118 -0.393 -6.264 -10.984 1.00 0.64 C ATOM 1886 CD GLU A 118 0.101 -7.092 -12.172 1.00 1.33 C ATOM 1887 OE1 GLU A 118 0.735 -8.108 -11.938 1.00 2.26 O ATOM 1888 OE2 GLU A 118 -0.163 -6.696 -13.294 1.00 1.31 O ATOM 0 H GLU A 118 1.901 -5.052 -8.139 1.00 0.33 H new ATOM 0 HA GLU A 118 0.362 -3.509 -10.000 1.00 0.27 H new ATOM 0 HB2 GLU A 118 1.506 -5.234 -11.046 1.00 0.26 H new ATOM 0 HB3 GLU A 118 1.333 -6.326 -9.686 1.00 0.26 H new ATOM 0 HG2 GLU A 118 -0.923 -6.902 -10.277 1.00 0.64 H new ATOM 0 HG3 GLU A 118 -1.100 -5.507 -11.323 1.00 0.64 H new ATOM 1895 N ARG A 119 -1.358 -5.753 -8.277 1.00 0.23 N ATOM 1896 CA ARG A 119 -2.738 -6.060 -7.803 1.00 0.16 C ATOM 1897 C ARG A 119 -3.254 -4.909 -6.929 1.00 0.23 C ATOM 1898 O ARG A 119 -4.443 -4.746 -6.751 1.00 0.24 O ATOM 1899 CB ARG A 119 -2.716 -7.352 -6.983 1.00 0.13 C ATOM 1900 CG ARG A 119 -2.178 -8.496 -7.845 1.00 0.23 C ATOM 1901 CD ARG A 119 -3.262 -9.563 -8.024 1.00 0.46 C ATOM 1902 NE ARG A 119 -2.643 -10.919 -7.951 1.00 1.70 N ATOM 1903 CZ ARG A 119 -3.383 -11.992 -7.780 1.00 2.34 C ATOM 1904 NH1 ARG A 119 -4.688 -11.909 -7.672 1.00 2.14 N ATOM 1905 NH2 ARG A 119 -2.809 -13.161 -7.714 1.00 3.42 N ATOM 0 H ARG A 119 -0.647 -6.431 -8.004 1.00 0.23 H new ATOM 0 HA ARG A 119 -3.397 -6.182 -8.663 1.00 0.16 H new ATOM 0 HB2 ARG A 119 -2.091 -7.224 -6.099 1.00 0.13 H new ATOM 0 HB3 ARG A 119 -3.720 -7.589 -6.631 1.00 0.13 H new ATOM 0 HG2 ARG A 119 -1.865 -8.115 -8.817 1.00 0.23 H new ATOM 0 HG3 ARG A 119 -1.297 -8.934 -7.376 1.00 0.23 H new ATOM 0 HD2 ARG A 119 -4.023 -9.457 -7.251 1.00 0.46 H new ATOM 0 HD3 ARG A 119 -3.762 -9.431 -8.983 1.00 0.46 H new ATOM 0 HE ARG A 119 -1.631 -11.015 -8.035 1.00 1.70 H new ATOM 0 HH11 ARG A 119 -5.147 -10.999 -7.720 1.00 2.14 H new ATOM 0 HH12 ARG A 119 -5.244 -12.754 -7.540 1.00 2.14 H new ATOM 0 HH21 ARG A 119 -1.795 -13.237 -7.795 1.00 3.42 H new ATOM 0 HH22 ARG A 119 -3.374 -14.000 -7.581 1.00 3.42 H new ATOM 1919 N LEU A 120 -2.375 -4.108 -6.381 1.00 0.29 N ATOM 1920 CA LEU A 120 -2.833 -2.976 -5.527 1.00 0.37 C ATOM 1921 C LEU A 120 -3.525 -1.929 -6.404 1.00 0.33 C ATOM 1922 O LEU A 120 -4.617 -1.485 -6.114 1.00 0.30 O ATOM 1923 CB LEU A 120 -1.629 -2.340 -4.828 1.00 0.50 C ATOM 1924 CG LEU A 120 -1.746 -2.548 -3.318 1.00 0.62 C ATOM 1925 CD1 LEU A 120 -0.545 -1.907 -2.618 1.00 0.95 C ATOM 1926 CD2 LEU A 120 -3.035 -1.896 -2.813 1.00 0.33 C ATOM 0 H LEU A 120 -1.364 -4.190 -6.489 1.00 0.29 H new ATOM 0 HA LEU A 120 -3.532 -3.346 -4.777 1.00 0.37 H new ATOM 0 HB2 LEU A 120 -0.705 -2.785 -5.196 1.00 0.50 H new ATOM 0 HB3 LEU A 120 -1.583 -1.275 -5.056 1.00 0.50 H new ATOM 0 HG LEU A 120 -1.766 -3.616 -3.100 1.00 0.62 H new ATOM 0 HD11 LEU A 120 -0.629 -2.056 -1.541 1.00 0.95 H new ATOM 0 HD12 LEU A 120 0.375 -2.369 -2.977 1.00 0.95 H new ATOM 0 HD13 LEU A 120 -0.524 -0.839 -2.836 1.00 0.95 H new ATOM 0 HD21 LEU A 120 -3.120 -2.044 -1.736 1.00 0.33 H new ATOM 0 HD22 LEU A 120 -3.013 -0.829 -3.032 1.00 0.33 H new ATOM 0 HD23 LEU A 120 -3.892 -2.351 -3.310 1.00 0.33 H new ATOM 1938 N LYS A 121 -2.898 -1.539 -7.479 1.00 0.33 N ATOM 1939 CA LYS A 121 -3.513 -0.529 -8.389 1.00 0.31 C ATOM 1940 C LYS A 121 -4.807 -1.096 -8.962 1.00 0.19 C ATOM 1941 O LYS A 121 -5.865 -0.517 -8.840 1.00 0.11 O ATOM 1942 CB LYS A 121 -2.549 -0.237 -9.540 1.00 0.36 C ATOM 1943 CG LYS A 121 -2.827 1.156 -10.109 1.00 0.36 C ATOM 1944 CD LYS A 121 -1.727 1.532 -11.106 1.00 0.87 C ATOM 1945 CE LYS A 121 -1.836 0.649 -12.354 1.00 1.01 C ATOM 1946 NZ LYS A 121 -0.567 0.727 -13.131 1.00 1.88 N ATOM 0 H LYS A 121 -1.981 -1.878 -7.769 1.00 0.33 H new ATOM 0 HA LYS A 121 -3.720 0.387 -7.835 1.00 0.31 H new ATOM 0 HB2 LYS A 121 -1.519 -0.297 -9.188 1.00 0.36 H new ATOM 0 HB3 LYS A 121 -2.663 -0.988 -10.321 1.00 0.36 H new ATOM 0 HG2 LYS A 121 -3.799 1.171 -10.602 1.00 0.36 H new ATOM 0 HG3 LYS A 121 -2.867 1.888 -9.302 1.00 0.36 H new ATOM 0 HD2 LYS A 121 -1.818 2.582 -11.383 1.00 0.87 H new ATOM 0 HD3 LYS A 121 -0.747 1.407 -10.645 1.00 0.87 H new ATOM 0 HE2 LYS A 121 -2.035 -0.383 -12.066 1.00 1.01 H new ATOM 0 HE3 LYS A 121 -2.673 0.975 -12.971 1.00 1.01 H new ATOM 0 HZ1 LYS A 121 -0.641 0.128 -13.978 1.00 1.88 H new ATOM 0 HZ2 LYS A 121 -0.395 1.712 -13.418 1.00 1.88 H new ATOM 0 HZ3 LYS A 121 0.222 0.396 -12.541 1.00 1.88 H new ATOM 1960 N THR A 122 -4.704 -2.224 -9.599 1.00 0.35 N ATOM 1961 CA THR A 122 -5.896 -2.881 -10.220 1.00 0.26 C ATOM 1962 C THR A 122 -7.076 -2.907 -9.244 1.00 0.24 C ATOM 1963 O THR A 122 -8.211 -2.704 -9.620 1.00 0.26 O ATOM 1964 CB THR A 122 -5.549 -4.328 -10.597 1.00 0.19 C ATOM 1965 OG1 THR A 122 -4.250 -4.659 -10.133 1.00 0.22 O ATOM 1966 CG2 THR A 122 -5.605 -4.484 -12.115 1.00 0.22 C ATOM 0 H THR A 122 -3.829 -2.733 -9.721 1.00 0.35 H new ATOM 0 HA THR A 122 -6.173 -2.310 -11.106 1.00 0.26 H new ATOM 0 HB THR A 122 -6.271 -4.999 -10.131 1.00 0.19 H new ATOM 0 HG1 THR A 122 -3.590 -4.442 -10.825 1.00 0.22 H new ATOM 0 HG21 THR A 122 -5.359 -5.511 -12.385 1.00 0.22 H new ATOM 0 HG22 THR A 122 -6.608 -4.247 -12.468 1.00 0.22 H new ATOM 0 HG23 THR A 122 -4.888 -3.806 -12.577 1.00 0.22 H new ATOM 1974 N ILE A 123 -6.817 -3.186 -8.005 1.00 0.33 N ATOM 1975 CA ILE A 123 -7.920 -3.259 -6.997 1.00 0.36 C ATOM 1976 C ILE A 123 -8.529 -1.872 -6.728 1.00 0.37 C ATOM 1977 O ILE A 123 -9.732 -1.721 -6.658 1.00 0.42 O ATOM 1978 CB ILE A 123 -7.364 -3.817 -5.686 1.00 0.45 C ATOM 1979 CG1 ILE A 123 -7.034 -5.302 -5.860 1.00 0.41 C ATOM 1980 CG2 ILE A 123 -8.405 -3.651 -4.578 1.00 0.53 C ATOM 1981 CD1 ILE A 123 -8.317 -6.130 -5.764 1.00 0.45 C ATOM 0 H ILE A 123 -5.884 -3.369 -7.636 1.00 0.33 H new ATOM 0 HA ILE A 123 -8.701 -3.908 -7.394 1.00 0.36 H new ATOM 0 HB ILE A 123 -6.458 -3.274 -5.417 1.00 0.45 H new ATOM 0 HG12 ILE A 123 -6.554 -5.467 -6.825 1.00 0.41 H new ATOM 0 HG13 ILE A 123 -6.327 -5.619 -5.094 1.00 0.41 H new ATOM 0 HG21 ILE A 123 -8.009 -4.049 -3.644 1.00 0.53 H new ATOM 0 HG22 ILE A 123 -8.637 -2.593 -4.453 1.00 0.53 H new ATOM 0 HG23 ILE A 123 -9.312 -4.192 -4.847 1.00 0.53 H new ATOM 0 HD11 ILE A 123 -8.078 -7.186 -5.888 1.00 0.45 H new ATOM 0 HD12 ILE A 123 -8.778 -5.974 -4.789 1.00 0.45 H new ATOM 0 HD13 ILE A 123 -9.010 -5.820 -6.547 1.00 0.45 H new ATOM 1993 N MET A 124 -7.712 -0.873 -6.544 1.00 0.35 N ATOM 1994 CA MET A 124 -8.246 0.492 -6.238 1.00 0.36 C ATOM 1995 C MET A 124 -9.131 1.018 -7.374 1.00 0.29 C ATOM 1996 O MET A 124 -10.202 1.538 -7.142 1.00 0.28 O ATOM 1997 CB MET A 124 -7.079 1.463 -6.028 1.00 0.45 C ATOM 1998 CG MET A 124 -6.202 0.979 -4.873 1.00 0.58 C ATOM 1999 SD MET A 124 -7.098 1.176 -3.311 1.00 0.35 S ATOM 2000 CE MET A 124 -6.123 2.562 -2.680 1.00 0.31 C ATOM 0 H MET A 124 -6.695 -0.939 -6.592 1.00 0.35 H new ATOM 0 HA MET A 124 -8.851 0.419 -5.334 1.00 0.36 H new ATOM 0 HB2 MET A 124 -6.487 1.536 -6.940 1.00 0.45 H new ATOM 0 HB3 MET A 124 -7.459 2.462 -5.814 1.00 0.45 H new ATOM 0 HG2 MET A 124 -5.932 -0.067 -5.021 1.00 0.58 H new ATOM 0 HG3 MET A 124 -5.272 1.547 -4.845 1.00 0.58 H new ATOM 0 HE1 MET A 124 -5.955 2.432 -1.611 1.00 0.31 H new ATOM 0 HE2 MET A 124 -5.164 2.597 -3.197 1.00 0.31 H new ATOM 0 HE3 MET A 124 -6.662 3.494 -2.851 1.00 0.31 H new ATOM 2010 N ARG A 125 -8.685 0.922 -8.592 1.00 0.28 N ATOM 2011 CA ARG A 125 -9.492 1.452 -9.731 1.00 0.26 C ATOM 2012 C ARG A 125 -10.644 0.502 -10.078 1.00 0.22 C ATOM 2013 O ARG A 125 -11.792 0.893 -10.110 1.00 0.22 O ATOM 2014 CB ARG A 125 -8.581 1.610 -10.953 1.00 0.31 C ATOM 2015 CG ARG A 125 -9.381 2.189 -12.121 1.00 0.80 C ATOM 2016 CD ARG A 125 -9.284 1.246 -13.323 1.00 1.80 C ATOM 2017 NE ARG A 125 -8.132 1.651 -14.181 1.00 1.60 N ATOM 2018 CZ ARG A 125 -7.665 0.849 -15.110 1.00 2.61 C ATOM 2019 NH1 ARG A 125 -8.185 -0.338 -15.312 1.00 3.73 N ATOM 2020 NH2 ARG A 125 -6.664 1.241 -15.850 1.00 2.81 N ATOM 0 H ARG A 125 -7.794 0.499 -8.853 1.00 0.28 H new ATOM 0 HA ARG A 125 -9.915 2.414 -9.443 1.00 0.26 H new ATOM 0 HB2 ARG A 125 -7.744 2.266 -10.712 1.00 0.31 H new ATOM 0 HB3 ARG A 125 -8.159 0.644 -11.232 1.00 0.31 H new ATOM 0 HG2 ARG A 125 -10.424 2.321 -11.832 1.00 0.80 H new ATOM 0 HG3 ARG A 125 -8.997 3.174 -12.386 1.00 0.80 H new ATOM 0 HD2 ARG A 125 -9.155 0.218 -12.983 1.00 1.80 H new ATOM 0 HD3 ARG A 125 -10.209 1.277 -13.899 1.00 1.80 H new ATOM 0 HE ARG A 125 -7.701 2.565 -14.044 1.00 1.60 H new ATOM 0 HH11 ARG A 125 -8.969 -0.655 -14.742 1.00 3.73 H new ATOM 0 HH12 ARG A 125 -7.806 -0.944 -16.040 1.00 3.73 H new ATOM 0 HH21 ARG A 125 -6.252 2.163 -15.704 1.00 2.81 H new ATOM 0 HH22 ARG A 125 -6.294 0.626 -16.574 1.00 2.81 H new ATOM 2034 N GLU A 126 -10.332 -0.729 -10.369 1.00 0.71 N ATOM 2035 CA GLU A 126 -11.380 -1.726 -10.757 1.00 0.78 C ATOM 2036 C GLU A 126 -12.598 -1.676 -9.822 1.00 0.79 C ATOM 2037 O GLU A 126 -13.726 -1.759 -10.267 1.00 0.95 O ATOM 2038 CB GLU A 126 -10.777 -3.131 -10.707 1.00 0.70 C ATOM 2039 CG GLU A 126 -11.863 -4.165 -11.015 1.00 0.72 C ATOM 2040 CD GLU A 126 -11.366 -5.120 -12.101 1.00 0.74 C ATOM 2041 OE1 GLU A 126 -10.848 -4.638 -13.095 1.00 1.38 O ATOM 2042 OE2 GLU A 126 -11.510 -6.319 -11.920 1.00 1.30 O ATOM 0 H GLU A 126 -9.381 -1.097 -10.355 1.00 0.71 H new ATOM 0 HA GLU A 126 -11.717 -1.480 -11.764 1.00 0.78 H new ATOM 0 HB2 GLU A 126 -9.965 -3.215 -11.429 1.00 0.70 H new ATOM 0 HB3 GLU A 126 -10.349 -3.320 -9.722 1.00 0.70 H new ATOM 0 HG2 GLU A 126 -12.115 -4.723 -10.113 1.00 0.72 H new ATOM 0 HG3 GLU A 126 -12.773 -3.664 -11.345 1.00 0.72 H new ATOM 2049 N LYS A 127 -12.395 -1.572 -8.538 1.00 0.68 N ATOM 2050 CA LYS A 127 -13.564 -1.555 -7.606 1.00 0.77 C ATOM 2051 C LYS A 127 -14.049 -0.124 -7.359 1.00 1.02 C ATOM 2052 O LYS A 127 -15.235 0.141 -7.342 1.00 1.42 O ATOM 2053 CB LYS A 127 -13.151 -2.188 -6.272 1.00 0.66 C ATOM 2054 CG LYS A 127 -14.145 -3.289 -5.886 1.00 0.65 C ATOM 2055 CD LYS A 127 -14.650 -3.046 -4.462 1.00 1.76 C ATOM 2056 CE LYS A 127 -15.802 -4.007 -4.160 1.00 2.24 C ATOM 2057 NZ LYS A 127 -16.475 -3.597 -2.895 1.00 3.74 N ATOM 0 H LYS A 127 -11.480 -1.498 -8.094 1.00 0.68 H new ATOM 0 HA LYS A 127 -14.378 -2.121 -8.058 1.00 0.77 H new ATOM 0 HB2 LYS A 127 -12.147 -2.605 -6.353 1.00 0.66 H new ATOM 0 HB3 LYS A 127 -13.118 -1.426 -5.493 1.00 0.66 H new ATOM 0 HG2 LYS A 127 -14.983 -3.298 -6.583 1.00 0.65 H new ATOM 0 HG3 LYS A 127 -13.665 -4.266 -5.951 1.00 0.65 H new ATOM 0 HD2 LYS A 127 -13.841 -3.195 -3.747 1.00 1.76 H new ATOM 0 HD3 LYS A 127 -14.985 -2.014 -4.354 1.00 1.76 H new ATOM 0 HE2 LYS A 127 -16.517 -4.003 -4.982 1.00 2.24 H new ATOM 0 HE3 LYS A 127 -15.425 -5.026 -4.070 1.00 2.24 H new ATOM 0 HZ1 LYS A 127 -17.258 -4.251 -2.691 1.00 3.74 H new ATOM 0 HZ2 LYS A 127 -15.790 -3.622 -2.113 1.00 3.74 H new ATOM 0 HZ3 LYS A 127 -16.848 -2.632 -2.997 1.00 3.74 H new ATOM 2071 N TYR A 128 -13.152 0.798 -7.145 1.00 0.79 N ATOM 2072 CA TYR A 128 -13.580 2.203 -6.872 1.00 1.02 C ATOM 2073 C TYR A 128 -13.672 3.017 -8.167 1.00 1.43 C ATOM 2074 O TYR A 128 -13.573 4.227 -8.150 1.00 1.81 O ATOM 2075 CB TYR A 128 -12.576 2.857 -5.925 1.00 0.55 C ATOM 2076 CG TYR A 128 -12.290 1.903 -4.794 1.00 0.74 C ATOM 2077 CD1 TYR A 128 -13.338 1.166 -4.231 1.00 1.76 C ATOM 2078 CD2 TYR A 128 -10.985 1.744 -4.315 1.00 0.99 C ATOM 2079 CE1 TYR A 128 -13.082 0.271 -3.189 1.00 2.67 C ATOM 2080 CE2 TYR A 128 -10.728 0.846 -3.272 1.00 1.94 C ATOM 2081 CZ TYR A 128 -11.779 0.110 -2.709 1.00 2.71 C ATOM 2082 OH TYR A 128 -11.533 -0.777 -1.684 1.00 3.71 O ATOM 0 H TYR A 128 -12.144 0.643 -7.147 1.00 0.79 H new ATOM 0 HA TYR A 128 -14.570 2.182 -6.415 1.00 1.02 H new ATOM 0 HB2 TYR A 128 -11.656 3.099 -6.457 1.00 0.55 H new ATOM 0 HB3 TYR A 128 -12.976 3.794 -5.538 1.00 0.55 H new ATOM 0 HD1 TYR A 128 -14.345 1.289 -4.602 1.00 1.76 H new ATOM 0 HD2 TYR A 128 -10.177 2.313 -4.749 1.00 0.99 H new ATOM 0 HE1 TYR A 128 -13.891 -0.297 -2.754 1.00 2.67 H new ATOM 0 HE2 TYR A 128 -9.721 0.721 -2.902 1.00 1.94 H new ATOM 0 HH TYR A 128 -10.902 -1.462 -1.989 1.00 3.71 H new ATOM 2092 N SER A 129 -13.874 2.378 -9.287 1.00 1.47 N ATOM 2093 CA SER A 129 -13.987 3.146 -10.558 1.00 2.03 C ATOM 2094 C SER A 129 -15.453 3.516 -10.790 1.00 2.48 C ATOM 2095 O SER A 129 -15.763 4.520 -11.401 1.00 2.83 O ATOM 2096 CB SER A 129 -13.490 2.291 -11.725 1.00 2.05 C ATOM 2097 OG SER A 129 -14.045 2.784 -12.938 1.00 2.13 O ATOM 0 H SER A 129 -13.965 1.366 -9.377 1.00 1.47 H new ATOM 0 HA SER A 129 -13.382 4.050 -10.492 1.00 2.03 H new ATOM 0 HB2 SER A 129 -12.401 2.317 -11.773 1.00 2.05 H new ATOM 0 HB3 SER A 129 -13.777 1.250 -11.577 1.00 2.05 H new ATOM 0 HG SER A 129 -13.727 2.239 -13.688 1.00 2.13 H new ATOM 2103 N LYS A 130 -16.360 2.707 -10.310 1.00 2.64 N ATOM 2104 CA LYS A 130 -17.804 3.005 -10.506 1.00 3.16 C ATOM 2105 C LYS A 130 -18.481 3.181 -9.143 1.00 2.97 C ATOM 2106 O LYS A 130 -19.587 2.724 -8.926 1.00 3.21 O ATOM 2107 CB LYS A 130 -18.454 1.838 -11.258 1.00 3.74 C ATOM 2108 CG LYS A 130 -19.199 2.361 -12.492 1.00 4.59 C ATOM 2109 CD LYS A 130 -20.709 2.313 -12.244 1.00 4.67 C ATOM 2110 CE LYS A 130 -21.341 1.244 -13.138 1.00 5.03 C ATOM 2111 NZ LYS A 130 -22.825 1.294 -13.003 1.00 5.21 N ATOM 0 H LYS A 130 -16.160 1.852 -9.790 1.00 2.64 H new ATOM 0 HA LYS A 130 -17.918 3.923 -11.082 1.00 3.16 H new ATOM 0 HB2 LYS A 130 -17.692 1.120 -11.560 1.00 3.74 H new ATOM 0 HB3 LYS A 130 -19.146 1.311 -10.601 1.00 3.74 H new ATOM 0 HG2 LYS A 130 -18.889 3.383 -12.709 1.00 4.59 H new ATOM 0 HG3 LYS A 130 -18.945 1.759 -13.364 1.00 4.59 H new ATOM 0 HD2 LYS A 130 -20.909 2.090 -11.196 1.00 4.67 H new ATOM 0 HD3 LYS A 130 -21.153 3.286 -12.453 1.00 4.67 H new ATOM 0 HE2 LYS A 130 -21.054 1.408 -14.177 1.00 5.03 H new ATOM 0 HE3 LYS A 130 -20.973 0.257 -12.858 1.00 5.03 H new ATOM 0 HZ1 LYS A 130 -23.254 0.567 -13.611 1.00 5.21 H new ATOM 0 HZ2 LYS A 130 -23.090 1.117 -12.013 1.00 5.21 H new ATOM 0 HZ3 LYS A 130 -23.168 2.233 -13.291 1.00 5.21 H new ATOM 2125 N CYS A 131 -17.830 3.842 -8.223 1.00 2.60 N ATOM 2126 CA CYS A 131 -18.443 4.045 -6.878 1.00 2.43 C ATOM 2127 C CYS A 131 -19.821 4.689 -7.040 1.00 2.50 C ATOM 2128 O CYS A 131 -20.793 4.253 -6.455 1.00 2.63 O ATOM 2129 CB CYS A 131 -17.549 4.959 -6.036 1.00 2.37 C ATOM 2130 SG CYS A 131 -18.266 5.152 -4.382 1.00 2.27 S ATOM 0 H CYS A 131 -16.903 4.249 -8.344 1.00 2.60 H new ATOM 0 HA CYS A 131 -18.546 3.082 -6.378 1.00 2.43 H new ATOM 0 HB2 CYS A 131 -16.547 4.537 -5.962 1.00 2.37 H new ATOM 0 HB3 CYS A 131 -17.451 5.932 -6.517 1.00 2.37 H new ATOM 2135 N SER A 132 -19.916 5.719 -7.836 1.00 2.60 N ATOM 2136 CA SER A 132 -21.236 6.382 -8.038 1.00 2.78 C ATOM 2137 C SER A 132 -22.145 5.457 -8.848 1.00 2.77 C ATOM 2138 O SER A 132 -21.760 4.940 -9.879 1.00 3.14 O ATOM 2139 CB SER A 132 -21.040 7.695 -8.798 1.00 3.56 C ATOM 2140 OG SER A 132 -20.978 8.770 -7.870 1.00 3.35 O ATOM 0 H SER A 132 -19.139 6.129 -8.354 1.00 2.60 H new ATOM 0 HA SER A 132 -21.691 6.590 -7.070 1.00 2.78 H new ATOM 0 HB2 SER A 132 -20.124 7.654 -9.387 1.00 3.56 H new ATOM 0 HB3 SER A 132 -21.862 7.850 -9.497 1.00 3.56 H new ATOM 0 HG SER A 132 -20.851 9.613 -8.354 1.00 3.35 H new ATOM 2146 N SER A 133 -23.347 5.241 -8.391 1.00 2.57 N ATOM 2147 CA SER A 133 -24.276 4.347 -9.138 1.00 2.87 C ATOM 2148 C SER A 133 -25.284 5.194 -9.916 1.00 3.44 C ATOM 2149 O SER A 133 -26.381 4.710 -10.146 1.00 4.22 O ATOM 2150 CB SER A 133 -25.018 3.445 -8.152 1.00 2.86 C ATOM 2151 OG SER A 133 -24.159 2.389 -7.743 1.00 2.79 O ATOM 2152 OXT SER A 133 -24.942 6.309 -10.272 1.00 3.31 O ATOM 0 H SER A 133 -23.726 5.644 -7.534 1.00 2.57 H new ATOM 0 HA SER A 133 -23.707 3.731 -9.834 1.00 2.87 H new ATOM 0 HB2 SER A 133 -25.341 4.022 -7.286 1.00 2.86 H new ATOM 0 HB3 SER A 133 -25.916 3.039 -8.618 1.00 2.86 H new ATOM 0 HG SER A 133 -24.632 1.810 -7.109 1.00 2.79 H new TER 2158 SER A 133