USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 693 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 MET CE :methyl 154:sc= -0.0328 (180deg=-1.25!) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0267 (180deg=-0.23) USER MOD Single : A 5 GLN : amide:sc= -0.0837 K(o=-0.084,f=-1.5!) USER MOD Single : A 8 SER OG : rot -58:sc= 0.0493 USER MOD Single : A 10 ASN : amide:sc= -2.78 K(o=-2.8,f=-3.6!) USER MOD Single : A 13 ASN : amide:sc= -14.7! C(o=-15!,f=-12!) USER MOD Single : A 14 HIS : no HD1:sc= -7.97! C(o=-8!,f=-9.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 20 ASN : amide:sc= -4.34! K(o=-4.3!,f=-1.6) USER MOD Single : A 25 THR OG1 : rot 178:sc= 1.12 USER MOD Single : A 26 ASN : amide:sc= -6.91! C(o=-6.9!,f=-22!) USER MOD Single : A 29 MET CE :methyl -136:sc= -0.255 (180deg=-1.81) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.0461 X(o=-0.046,f=-0.046) USER MOD Single : A 36 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.6!) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= 1.09 (180deg=-0.605) USER MOD Single : A 50 HIS : no HD1:sc= -3.3 K(o=-3.3,f=-1.7) USER MOD Single : A 59 ASN : amide:sc= -3.05 K(o=-3,f=-17!) USER MOD Single : A 62 GLN : amide:sc= -8.06! C(o=-8.1!,f=-14!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 148:sc= -0.433 (180deg=-1.64!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.627 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 79 ASN : amide:sc= -0.609 K(o=-0.61,f=-6.2!) USER MOD Single : A 81 MET CE :methyl -155:sc= -0.147 (180deg=-0.751) USER MOD Single : A 82 LYS NZ :NH3+ 134:sc= -1.65! (180deg=-4.25!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.002 4.006 10.811 1.00 0.00 N ATOM 2 CA MET A 1 -28.596 2.586 10.554 1.00 0.00 C ATOM 3 C MET A 1 -27.071 2.476 10.472 1.00 0.00 C ATOM 4 O MET A 1 -26.527 2.742 9.415 1.00 0.00 O ATOM 5 CB MET A 1 -29.188 2.186 9.202 1.00 0.00 C ATOM 6 CG MET A 1 -30.708 1.982 9.287 1.00 0.00 C ATOM 7 SD MET A 1 -31.523 2.487 7.741 1.00 0.00 S ATOM 8 CE MET A 1 -30.459 1.502 6.659 1.00 0.00 C ATOM 0 H1 MET A 1 -29.955 4.025 11.227 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.328 4.446 11.470 1.00 0.00 H new ATOM 0 H3 MET A 1 -29.005 4.534 9.915 1.00 0.00 H new ATOM 0 HA MET A 1 -28.951 1.942 11.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 -28.965 2.957 8.464 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.716 1.267 8.855 1.00 0.00 H new ATOM 0 HG2 MET A 1 -30.927 0.934 9.492 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.110 2.560 10.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.996 1.261 5.742 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.561 2.071 6.416 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.177 0.580 7.167 1.00 0.00 H new ATOM 20 N ALA A 2 -26.395 2.103 11.528 1.00 0.00 N ATOM 21 CA ALA A 2 -24.905 2.007 11.413 1.00 0.00 C ATOM 22 C ALA A 2 -24.463 0.635 10.913 1.00 0.00 C ATOM 23 O ALA A 2 -23.679 0.586 9.991 1.00 0.00 O ATOM 24 CB ALA A 2 -24.341 2.239 12.824 1.00 0.00 C ATOM 0 H ALA A 2 -26.791 1.867 12.438 1.00 0.00 H new ATOM 0 HA ALA A 2 -24.541 2.743 10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -23.253 2.179 12.795 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -24.641 3.225 13.178 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -24.729 1.477 13.501 1.00 0.00 H new ATOM 30 N PRO A 3 -24.939 -0.430 11.484 1.00 0.00 N ATOM 31 CA PRO A 3 -24.595 -1.823 11.093 1.00 0.00 C ATOM 32 C PRO A 3 -25.609 -2.335 10.076 1.00 0.00 C ATOM 33 O PRO A 3 -25.458 -2.104 8.884 1.00 0.00 O ATOM 34 CB PRO A 3 -24.681 -2.619 12.401 1.00 0.00 C ATOM 35 CG PRO A 3 -25.734 -1.889 13.256 1.00 0.00 C ATOM 36 CD PRO A 3 -25.893 -0.494 12.603 1.00 0.00 C ATOM 0 HA PRO A 3 -23.612 -1.907 10.630 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -24.975 -3.652 12.214 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -23.716 -2.649 12.907 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -26.680 -2.431 13.262 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -25.409 -1.803 14.293 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -26.913 -0.349 12.248 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -25.692 0.296 13.327 1.00 0.00 H new ATOM 44 N ALA A 4 -26.640 -3.019 10.475 1.00 0.00 N ATOM 45 CA ALA A 4 -27.643 -3.525 9.517 1.00 0.00 C ATOM 46 C ALA A 4 -26.993 -4.435 8.450 1.00 0.00 C ATOM 47 O ALA A 4 -25.855 -4.772 8.636 1.00 0.00 O ATOM 48 CB ALA A 4 -28.308 -2.310 8.836 1.00 0.00 C ATOM 0 H ALA A 4 -26.830 -3.252 11.450 1.00 0.00 H new ATOM 0 HA ALA A 4 -28.382 -4.123 10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -29.055 -2.657 8.122 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -28.789 -1.688 9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -27.550 -1.726 8.314 1.00 0.00 H new ATOM 54 N GLN A 5 -27.760 -4.733 7.465 1.00 0.00 N ATOM 55 CA GLN A 5 -27.390 -5.589 6.304 1.00 0.00 C ATOM 56 C GLN A 5 -26.153 -6.423 6.524 1.00 0.00 C ATOM 57 O GLN A 5 -26.306 -7.612 6.792 1.00 0.00 O ATOM 58 CB GLN A 5 -27.339 -4.753 5.005 1.00 0.00 C ATOM 59 CG GLN A 5 -27.957 -5.621 3.903 1.00 0.00 C ATOM 60 CD GLN A 5 -29.464 -5.345 3.770 1.00 0.00 C ATOM 61 OE1 GLN A 5 -30.051 -4.678 4.602 1.00 0.00 O ATOM 62 NE2 GLN A 5 -30.084 -5.843 2.750 1.00 0.00 N ATOM 0 H GLN A 5 -28.719 -4.389 7.406 1.00 0.00 H new ATOM 0 HA GLN A 5 -28.184 -6.328 6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -27.893 -3.822 5.121 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -26.312 -4.484 4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -27.461 -5.419 2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -27.794 -6.675 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -29.573 -6.399 2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -31.084 -5.680 2.631 1.00 0.00 H new ATOM 71 N PRO A 6 -24.963 -5.933 6.441 1.00 0.00 N ATOM 72 CA PRO A 6 -24.517 -4.587 6.146 1.00 0.00 C ATOM 73 C PRO A 6 -24.003 -4.520 4.690 1.00 0.00 C ATOM 74 O PRO A 6 -24.034 -5.487 3.942 1.00 0.00 O ATOM 75 CB PRO A 6 -23.278 -4.419 7.055 1.00 0.00 C ATOM 76 CG PRO A 6 -22.697 -5.821 7.350 1.00 0.00 C ATOM 77 CD PRO A 6 -23.728 -6.725 6.653 1.00 0.00 C ATOM 0 HA PRO A 6 -25.304 -3.847 6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -22.531 -3.794 6.566 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.554 -3.919 7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -21.695 -5.946 6.939 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -22.630 -6.022 8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -23.338 -7.084 5.701 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -23.939 -7.603 7.263 1.00 0.00 H new ATOM 85 N LEU A 7 -23.534 -3.397 4.257 1.00 0.00 N ATOM 86 CA LEU A 7 -23.039 -3.296 2.859 1.00 0.00 C ATOM 87 C LEU A 7 -21.705 -4.054 2.680 1.00 0.00 C ATOM 88 O LEU A 7 -21.745 -5.147 2.168 1.00 0.00 O ATOM 89 CB LEU A 7 -22.841 -1.852 2.404 1.00 0.00 C ATOM 90 CG LEU A 7 -22.401 -0.920 3.542 1.00 0.00 C ATOM 91 CD1 LEU A 7 -21.286 -0.017 2.984 1.00 0.00 C ATOM 92 CD2 LEU A 7 -23.586 -0.088 4.040 1.00 0.00 C ATOM 0 H LEU A 7 -23.469 -2.540 4.806 1.00 0.00 H new ATOM 0 HA LEU A 7 -23.814 -3.750 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -22.094 -1.826 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -23.772 -1.480 1.977 1.00 0.00 H new ATOM 0 HG LEU A 7 -22.033 -1.492 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -20.944 0.663 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.452 -0.634 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.671 0.560 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -23.257 0.567 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -23.978 0.514 3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -24.368 -0.752 4.408 1.00 0.00 H new ATOM 104 N SER A 8 -20.617 -3.466 3.091 1.00 0.00 N ATOM 105 CA SER A 8 -19.292 -4.124 2.959 1.00 0.00 C ATOM 106 C SER A 8 -18.852 -4.267 1.488 1.00 0.00 C ATOM 107 O SER A 8 -18.297 -5.297 1.135 1.00 0.00 O ATOM 108 CB SER A 8 -19.363 -5.530 3.577 1.00 0.00 C ATOM 109 OG SER A 8 -18.063 -5.954 3.945 1.00 0.00 O ATOM 0 H SER A 8 -20.592 -2.541 3.520 1.00 0.00 H new ATOM 0 HA SER A 8 -18.565 -3.496 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.015 -5.522 4.451 1.00 0.00 H new ATOM 0 HB3 SER A 8 -19.796 -6.230 2.863 1.00 0.00 H new ATOM 0 HG SER A 8 -17.480 -5.944 3.157 1.00 0.00 H new ATOM 115 N GLU A 9 -19.103 -3.268 0.698 1.00 0.00 N ATOM 116 CA GLU A 9 -18.710 -3.330 -0.744 1.00 0.00 C ATOM 117 C GLU A 9 -17.988 -2.021 -1.049 1.00 0.00 C ATOM 118 O GLU A 9 -18.209 -1.030 -0.387 1.00 0.00 O ATOM 119 CB GLU A 9 -19.991 -3.393 -1.564 1.00 0.00 C ATOM 120 CG GLU A 9 -19.670 -3.562 -3.065 1.00 0.00 C ATOM 121 CD GLU A 9 -20.973 -3.479 -3.858 1.00 0.00 C ATOM 122 OE1 GLU A 9 -21.863 -2.709 -3.502 1.00 0.00 O ATOM 123 OE2 GLU A 9 -21.056 -4.209 -4.846 1.00 0.00 O ATOM 0 H GLU A 9 -19.565 -2.405 0.983 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.078 -4.189 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -20.607 -4.225 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.572 -2.483 -1.411 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -18.978 -2.786 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -19.181 -4.520 -3.241 1.00 0.00 H new ATOM 130 N ASN A 10 -17.143 -2.047 -2.044 1.00 0.00 N ATOM 131 CA ASN A 10 -16.372 -0.831 -2.441 1.00 0.00 C ATOM 132 C ASN A 10 -15.683 -1.075 -3.785 1.00 0.00 C ATOM 133 O ASN A 10 -15.261 -2.181 -4.097 1.00 0.00 O ATOM 134 CB ASN A 10 -15.265 -0.604 -1.405 1.00 0.00 C ATOM 135 CG ASN A 10 -15.052 0.903 -1.218 1.00 0.00 C ATOM 136 OD1 ASN A 10 -15.975 1.681 -1.246 1.00 0.00 O ATOM 137 ND2 ASN A 10 -13.813 1.296 -1.027 1.00 0.00 N ATOM 0 H ASN A 10 -16.950 -2.874 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 10 -17.049 0.021 -2.506 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.538 -1.065 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.340 -1.076 -1.734 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -13.606 2.286 -0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -13.058 0.611 -1.009 1.00 0.00 H new ATOM 144 N PRO A 11 -15.559 -0.051 -4.595 1.00 0.00 N ATOM 145 CA PRO A 11 -14.908 -0.174 -5.918 1.00 0.00 C ATOM 146 C PRO A 11 -13.426 -0.517 -5.798 1.00 0.00 C ATOM 147 O PRO A 11 -12.861 -0.362 -4.747 1.00 0.00 O ATOM 148 CB PRO A 11 -15.071 1.244 -6.505 1.00 0.00 C ATOM 149 CG PRO A 11 -15.975 2.124 -5.603 1.00 0.00 C ATOM 150 CD PRO A 11 -16.042 1.319 -4.291 1.00 0.00 C ATOM 0 HA PRO A 11 -15.343 -0.969 -6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.092 1.712 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.502 1.180 -7.504 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.548 3.115 -5.447 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.963 2.268 -6.039 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.425 1.783 -3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.062 1.292 -3.907 1.00 0.00 H new ATOM 158 N PRO A 12 -12.873 -0.971 -6.899 1.00 0.00 N ATOM 159 CA PRO A 12 -11.439 -1.351 -6.960 1.00 0.00 C ATOM 160 C PRO A 12 -10.651 -0.123 -6.461 1.00 0.00 C ATOM 161 O PRO A 12 -10.748 0.907 -7.109 1.00 0.00 O ATOM 162 CB PRO A 12 -11.182 -1.580 -8.438 1.00 0.00 C ATOM 163 CG PRO A 12 -12.465 -1.037 -9.125 1.00 0.00 C ATOM 164 CD PRO A 12 -13.651 -1.128 -8.132 1.00 0.00 C ATOM 0 HA PRO A 12 -11.162 -2.224 -6.370 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.292 -1.050 -8.776 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.027 -2.636 -8.658 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.315 -0.004 -9.438 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.683 -1.614 -10.024 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -14.391 -0.340 -8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -14.182 -2.078 -8.185 1.00 0.00 H new ATOM 172 N ASN A 13 -9.927 -0.203 -5.392 1.00 0.00 N ATOM 173 CA ASN A 13 -9.200 1.010 -4.939 1.00 0.00 C ATOM 174 C ASN A 13 -8.012 1.384 -5.862 1.00 0.00 C ATOM 175 O ASN A 13 -8.265 2.055 -6.827 1.00 0.00 O ATOM 176 CB ASN A 13 -8.781 0.824 -3.486 1.00 0.00 C ATOM 177 CG ASN A 13 -9.762 1.430 -2.473 1.00 0.00 C ATOM 178 OD1 ASN A 13 -10.190 2.562 -2.637 1.00 0.00 O ATOM 179 ND2 ASN A 13 -10.125 0.740 -1.445 1.00 0.00 N ATOM 0 H ASN A 13 -9.805 -1.037 -4.818 1.00 0.00 H new ATOM 0 HA ASN A 13 -9.875 1.863 -5.004 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.676 -0.242 -3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.799 1.275 -3.341 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.772 1.140 -0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.765 -0.205 -1.312 1.00 0.00 H new ATOM 186 N HIS A 14 -6.856 0.937 -5.499 1.00 0.00 N ATOM 187 CA HIS A 14 -5.575 1.177 -6.198 1.00 0.00 C ATOM 188 C HIS A 14 -4.701 2.143 -5.330 1.00 0.00 C ATOM 189 O HIS A 14 -3.803 2.809 -5.759 1.00 0.00 O ATOM 190 CB HIS A 14 -5.706 1.866 -7.547 1.00 0.00 C ATOM 191 CG HIS A 14 -5.926 3.363 -7.404 1.00 0.00 C ATOM 192 ND1 HIS A 14 -5.626 4.316 -8.343 1.00 0.00 N ATOM 193 CD2 HIS A 14 -6.451 4.126 -6.370 1.00 0.00 C ATOM 194 CE1 HIS A 14 -5.964 5.532 -7.854 1.00 0.00 C ATOM 195 NE2 HIS A 14 -6.479 5.477 -6.637 1.00 0.00 N ATOM 0 H HIS A 14 -6.741 0.360 -4.666 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.145 0.187 -6.351 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.806 1.687 -8.134 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.538 1.428 -8.098 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.805 3.700 -5.443 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.827 6.453 -8.401 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.812 6.240 -6.047 1.00 0.00 H new ATOM 204 N ILE A 15 -4.998 2.211 -4.043 1.00 0.00 N ATOM 205 CA ILE A 15 -4.321 3.081 -3.045 1.00 0.00 C ATOM 206 C ILE A 15 -4.026 2.158 -1.839 1.00 0.00 C ATOM 207 O ILE A 15 -4.956 1.781 -1.192 1.00 0.00 O ATOM 208 CB ILE A 15 -5.163 4.292 -2.570 1.00 0.00 C ATOM 209 CG1 ILE A 15 -4.850 5.465 -3.513 1.00 0.00 C ATOM 210 CG2 ILE A 15 -4.817 4.677 -1.145 1.00 0.00 C ATOM 211 CD1 ILE A 15 -5.584 6.733 -3.077 1.00 0.00 C ATOM 0 H ILE A 15 -5.742 1.648 -3.631 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.434 3.520 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.222 4.036 -2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.776 5.649 -3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.140 5.205 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.424 5.530 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.016 3.835 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.762 4.944 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.344 7.546 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.659 6.554 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.273 7.005 -2.068 1.00 0.00 H new ATOM 223 N LEU A 16 -2.770 1.890 -1.622 1.00 0.00 N ATOM 224 CA LEU A 16 -2.334 1.005 -0.482 1.00 0.00 C ATOM 225 C LEU A 16 -1.513 1.852 0.534 1.00 0.00 C ATOM 226 O LEU A 16 -0.409 2.299 0.307 1.00 0.00 O ATOM 227 CB LEU A 16 -1.492 -0.127 -1.036 1.00 0.00 C ATOM 228 CG LEU A 16 -1.857 -0.514 -2.485 1.00 0.00 C ATOM 229 CD1 LEU A 16 -1.153 0.384 -3.482 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.427 -1.958 -2.778 1.00 0.00 C ATOM 0 H LEU A 16 -2.005 2.249 -2.192 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.200 0.586 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.441 0.161 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.606 -1.001 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.937 -0.407 -2.584 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.428 0.089 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.450 1.419 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.074 0.291 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.691 -2.215 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.349 -2.050 -2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.935 -2.635 -2.091 1.00 0.00 H new ATOM 242 N PHE A 17 -2.198 2.056 1.667 1.00 0.00 N ATOM 243 CA PHE A 17 -1.788 2.883 2.788 1.00 0.00 C ATOM 244 C PHE A 17 -1.679 1.931 4.000 1.00 0.00 C ATOM 245 O PHE A 17 -2.560 1.155 4.162 1.00 0.00 O ATOM 246 CB PHE A 17 -2.724 4.040 3.035 1.00 0.00 C ATOM 247 CG PHE A 17 -2.342 4.684 4.352 1.00 0.00 C ATOM 248 CD1 PHE A 17 -1.014 5.082 4.539 1.00 0.00 C ATOM 249 CD2 PHE A 17 -3.284 4.881 5.358 1.00 0.00 C ATOM 250 CE1 PHE A 17 -0.600 5.679 5.732 1.00 0.00 C ATOM 251 CE2 PHE A 17 -2.873 5.485 6.567 1.00 0.00 C ATOM 252 CZ PHE A 17 -1.547 5.876 6.747 1.00 0.00 C ATOM 0 H PHE A 17 -3.105 1.618 1.826 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.831 3.364 2.585 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.656 4.764 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.757 3.693 3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.296 4.925 3.747 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.311 4.577 5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.427 5.982 5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.591 5.645 7.358 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.246 6.335 7.677 1.00 0.00 H new ATOM 262 N LEU A 18 -0.571 2.030 4.624 1.00 0.00 N ATOM 263 CA LEU A 18 -0.321 1.219 5.786 1.00 0.00 C ATOM 264 C LEU A 18 1.125 1.464 6.123 1.00 0.00 C ATOM 265 O LEU A 18 1.781 2.312 5.523 1.00 0.00 O ATOM 266 CB LEU A 18 -0.861 -0.178 5.873 1.00 0.00 C ATOM 267 CG LEU A 18 -2.354 -0.229 6.299 1.00 0.00 C ATOM 268 CD1 LEU A 18 -2.575 -1.326 7.364 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.847 1.056 6.910 1.00 0.00 C ATOM 0 H LEU A 18 0.188 2.659 4.364 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.979 1.534 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.749 -0.665 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.266 -0.747 6.587 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.904 -0.426 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.626 -1.348 7.651 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.291 -2.295 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.964 -1.111 8.241 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.897 0.949 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.261 1.284 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.741 1.866 6.189 1.00 0.00 H new ATOM 281 N THR A 19 1.543 0.842 7.101 1.00 0.00 N ATOM 282 CA THR A 19 2.856 1.035 7.639 1.00 0.00 C ATOM 283 C THR A 19 3.338 -0.343 8.062 1.00 0.00 C ATOM 284 O THR A 19 2.717 -1.381 7.871 1.00 0.00 O ATOM 285 CB THR A 19 2.695 1.843 8.956 1.00 0.00 C ATOM 286 OG1 THR A 19 2.739 0.977 10.071 1.00 0.00 O ATOM 287 CG2 THR A 19 1.337 2.570 8.947 1.00 0.00 C ATOM 0 H THR A 19 0.990 0.145 7.601 1.00 0.00 H new ATOM 0 HA THR A 19 3.521 1.528 6.930 1.00 0.00 H new ATOM 0 HB THR A 19 3.509 2.564 9.026 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.638 1.499 10.894 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.222 3.138 9.870 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.294 3.249 8.096 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.533 1.838 8.869 1.00 0.00 H new ATOM 295 N ASN A 20 4.454 -0.313 8.546 1.00 0.00 N ATOM 296 CA ASN A 20 5.219 -1.496 9.090 1.00 0.00 C ATOM 297 C ASN A 20 6.534 -1.659 8.316 1.00 0.00 C ATOM 298 O ASN A 20 7.000 -2.717 7.986 1.00 0.00 O ATOM 299 CB ASN A 20 4.402 -2.762 9.184 1.00 0.00 C ATOM 300 CG ASN A 20 5.119 -3.822 10.053 1.00 0.00 C ATOM 301 OD1 ASN A 20 4.853 -3.941 11.241 1.00 0.00 O ATOM 302 ND2 ASN A 20 6.005 -4.589 9.508 1.00 0.00 N ATOM 0 H ASN A 20 4.981 0.557 8.623 1.00 0.00 H new ATOM 0 HA ASN A 20 5.466 -1.287 10.131 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.425 -2.537 9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.229 -3.162 8.185 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.483 -5.294 10.069 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.226 -4.489 8.517 1.00 0.00 H new ATOM 309 N LEU A 21 7.147 -0.563 8.028 1.00 0.00 N ATOM 310 CA LEU A 21 8.452 -0.571 7.281 1.00 0.00 C ATOM 311 C LEU A 21 9.470 0.011 8.290 1.00 0.00 C ATOM 312 O LEU A 21 10.016 1.029 7.964 1.00 0.00 O ATOM 313 CB LEU A 21 8.269 0.412 6.136 1.00 0.00 C ATOM 314 CG LEU A 21 7.371 -0.102 5.023 1.00 0.00 C ATOM 315 CD1 LEU A 21 6.207 -0.939 5.505 1.00 0.00 C ATOM 316 CD2 LEU A 21 6.759 1.145 4.348 1.00 0.00 C ATOM 0 H LEU A 21 6.806 0.366 8.276 1.00 0.00 H new ATOM 0 HA LEU A 21 8.765 -1.545 6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.851 1.339 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.246 0.655 5.719 1.00 0.00 H new ATOM 0 HG LEU A 21 7.980 -0.730 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.616 -1.267 4.650 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.583 -1.810 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.582 -0.344 6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.101 0.834 3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.186 1.712 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.557 1.771 3.949 1.00 0.00 H new ATOM 328 N PRO A 22 9.663 -0.612 9.404 1.00 0.00 N ATOM 329 CA PRO A 22 10.537 -0.239 10.513 1.00 0.00 C ATOM 330 C PRO A 22 11.460 0.929 10.253 1.00 0.00 C ATOM 331 O PRO A 22 11.008 2.055 10.173 1.00 0.00 O ATOM 332 CB PRO A 22 11.280 -1.578 10.738 1.00 0.00 C ATOM 333 CG PRO A 22 10.055 -2.531 10.916 1.00 0.00 C ATOM 334 CD PRO A 22 9.083 -1.846 9.911 1.00 0.00 C ATOM 0 HA PRO A 22 9.995 0.144 11.378 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.907 -1.856 9.891 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.924 -1.556 11.617 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.280 -3.564 10.650 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.671 -2.541 11.936 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.870 -2.522 9.083 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.133 -1.634 10.401 1.00 0.00 H new ATOM 342 N GLU A 23 12.759 0.767 10.131 1.00 0.00 N ATOM 343 CA GLU A 23 13.673 1.936 9.898 1.00 0.00 C ATOM 344 C GLU A 23 14.698 1.597 8.814 1.00 0.00 C ATOM 345 O GLU A 23 15.589 2.379 8.555 1.00 0.00 O ATOM 346 CB GLU A 23 14.378 2.322 11.202 1.00 0.00 C ATOM 347 CG GLU A 23 15.018 3.709 11.054 1.00 0.00 C ATOM 348 CD GLU A 23 15.339 4.288 12.445 1.00 0.00 C ATOM 349 OE1 GLU A 23 15.360 3.498 13.370 1.00 0.00 O ATOM 350 OE2 GLU A 23 15.546 5.492 12.504 1.00 0.00 O ATOM 0 H GLU A 23 13.230 -0.136 10.184 1.00 0.00 H new ATOM 0 HA GLU A 23 13.080 2.786 9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.664 2.327 12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.141 1.583 11.446 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.930 3.637 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.342 4.376 10.520 1.00 0.00 H new ATOM 357 N GLU A 24 14.548 0.458 8.218 1.00 0.00 N ATOM 358 CA GLU A 24 15.500 0.042 7.143 1.00 0.00 C ATOM 359 C GLU A 24 14.736 0.199 5.809 1.00 0.00 C ATOM 360 O GLU A 24 14.784 -0.650 4.943 1.00 0.00 O ATOM 361 CB GLU A 24 15.860 -1.424 7.273 1.00 0.00 C ATOM 362 CG GLU A 24 17.143 -1.651 6.440 1.00 0.00 C ATOM 363 CD GLU A 24 18.326 -1.374 7.353 1.00 0.00 C ATOM 364 OE1 GLU A 24 18.449 -2.020 8.370 1.00 0.00 O ATOM 365 OE2 GLU A 24 19.124 -0.504 7.041 1.00 0.00 O ATOM 0 H GLU A 24 13.807 -0.212 8.423 1.00 0.00 H new ATOM 0 HA GLU A 24 16.409 0.640 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 24 16.026 -1.689 8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.048 -2.054 6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.180 -2.672 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.162 -0.989 5.574 1.00 0.00 H new ATOM 372 N THR A 25 14.057 1.304 5.720 1.00 0.00 N ATOM 373 CA THR A 25 13.254 1.601 4.482 1.00 0.00 C ATOM 374 C THR A 25 13.589 2.950 3.885 1.00 0.00 C ATOM 375 O THR A 25 13.994 3.836 4.627 1.00 0.00 O ATOM 376 CB THR A 25 11.781 1.561 4.938 1.00 0.00 C ATOM 377 OG1 THR A 25 11.693 2.396 6.082 1.00 0.00 O ATOM 378 CG2 THR A 25 11.489 0.098 5.303 1.00 0.00 C ATOM 0 H THR A 25 14.016 2.021 6.445 1.00 0.00 H new ATOM 0 HA THR A 25 13.471 0.876 3.697 1.00 0.00 H new ATOM 0 HB THR A 25 11.072 1.902 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.763 2.434 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.455 0.005 5.635 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.647 -0.534 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.157 -0.217 6.104 1.00 0.00 H new ATOM 386 N ASN A 26 13.434 3.123 2.593 1.00 0.00 N ATOM 387 CA ASN A 26 13.757 4.452 1.967 1.00 0.00 C ATOM 388 C ASN A 26 12.585 4.919 1.083 1.00 0.00 C ATOM 389 O ASN A 26 11.911 4.130 0.431 1.00 0.00 O ATOM 390 CB ASN A 26 15.100 4.426 1.259 1.00 0.00 C ATOM 391 CG ASN A 26 15.110 5.102 -0.094 1.00 0.00 C ATOM 392 OD1 ASN A 26 14.453 6.048 -0.433 1.00 0.00 O ATOM 393 ND2 ASN A 26 15.923 4.597 -1.003 1.00 0.00 N ATOM 0 H ASN A 26 13.100 2.408 1.946 1.00 0.00 H new ATOM 0 HA ASN A 26 13.871 5.202 2.750 1.00 0.00 H new ATOM 0 HB2 ASN A 26 15.842 4.907 1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.411 3.389 1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 26 15.967 5.011 -1.934 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.507 3.793 -0.774 1.00 0.00 H new ATOM 400 N GLU A 27 12.335 6.215 1.058 1.00 0.00 N ATOM 401 CA GLU A 27 11.251 6.852 0.282 1.00 0.00 C ATOM 402 C GLU A 27 11.372 6.633 -1.250 1.00 0.00 C ATOM 403 O GLU A 27 10.432 6.247 -1.897 1.00 0.00 O ATOM 404 CB GLU A 27 11.194 8.366 0.462 1.00 0.00 C ATOM 405 CG GLU A 27 12.057 8.876 1.593 1.00 0.00 C ATOM 406 CD GLU A 27 11.952 10.410 1.682 1.00 0.00 C ATOM 407 OE1 GLU A 27 10.839 10.908 1.689 1.00 0.00 O ATOM 408 OE2 GLU A 27 13.012 11.032 1.737 1.00 0.00 O ATOM 0 H GLU A 27 12.890 6.887 1.589 1.00 0.00 H new ATOM 0 HA GLU A 27 10.358 6.368 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.506 8.845 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.161 8.663 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.741 8.426 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.094 8.583 1.431 1.00 0.00 H new ATOM 415 N LEU A 28 12.549 6.897 -1.752 1.00 0.00 N ATOM 416 CA LEU A 28 12.884 6.760 -3.208 1.00 0.00 C ATOM 417 C LEU A 28 12.990 5.241 -3.513 1.00 0.00 C ATOM 418 O LEU A 28 12.886 4.799 -4.629 1.00 0.00 O ATOM 419 CB LEU A 28 14.243 7.391 -3.476 1.00 0.00 C ATOM 420 CG LEU A 28 14.662 7.098 -4.932 1.00 0.00 C ATOM 421 CD1 LEU A 28 13.616 7.697 -5.853 1.00 0.00 C ATOM 422 CD2 LEU A 28 15.989 7.800 -5.235 1.00 0.00 C ATOM 0 H LEU A 28 13.333 7.219 -1.184 1.00 0.00 H new ATOM 0 HA LEU A 28 12.126 7.245 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.197 8.467 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 28 14.985 6.992 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 28 14.760 6.022 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.890 7.503 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 28 12.646 7.246 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.559 8.773 -5.688 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.284 7.592 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.871 8.875 -5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.758 7.433 -4.556 1.00 0.00 H new ATOM 434 N MET A 29 13.190 4.488 -2.448 1.00 0.00 N ATOM 435 CA MET A 29 13.301 2.985 -2.574 1.00 0.00 C ATOM 436 C MET A 29 11.903 2.467 -2.941 1.00 0.00 C ATOM 437 O MET A 29 11.621 1.823 -3.936 1.00 0.00 O ATOM 438 CB MET A 29 13.701 2.366 -1.245 1.00 0.00 C ATOM 439 CG MET A 29 14.316 0.974 -1.507 1.00 0.00 C ATOM 440 SD MET A 29 14.244 0.022 0.018 1.00 0.00 S ATOM 441 CE MET A 29 12.505 -0.417 -0.058 1.00 0.00 C ATOM 0 H MET A 29 13.281 4.846 -1.497 1.00 0.00 H new ATOM 0 HA MET A 29 14.051 2.726 -3.322 1.00 0.00 H new ATOM 0 HB2 MET A 29 14.420 3.005 -0.732 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.832 2.278 -0.593 1.00 0.00 H new ATOM 0 HG2 MET A 29 13.770 0.462 -2.299 1.00 0.00 H new ATOM 0 HG3 MET A 29 15.348 1.073 -1.843 1.00 0.00 H new ATOM 0 HE1 MET A 29 12.053 -0.284 0.925 1.00 0.00 H new ATOM 0 HE2 MET A 29 11.999 0.224 -0.780 1.00 0.00 H new ATOM 0 HE3 MET A 29 12.406 -1.458 -0.365 1.00 0.00 H new ATOM 451 N LEU A 30 10.991 2.821 -2.062 1.00 0.00 N ATOM 452 CA LEU A 30 9.558 2.457 -2.224 1.00 0.00 C ATOM 453 C LEU A 30 9.040 3.214 -3.462 1.00 0.00 C ATOM 454 O LEU A 30 8.185 2.812 -4.194 1.00 0.00 O ATOM 455 CB LEU A 30 8.801 2.883 -0.973 1.00 0.00 C ATOM 456 CG LEU A 30 9.041 1.850 0.146 1.00 0.00 C ATOM 457 CD1 LEU A 30 8.645 2.445 1.508 1.00 0.00 C ATOM 458 CD2 LEU A 30 8.223 0.587 -0.096 1.00 0.00 C ATOM 0 H LEU A 30 11.194 3.361 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 30 9.420 1.384 -2.358 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.135 3.869 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.735 2.962 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 30 10.101 1.595 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.818 1.707 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.246 3.333 1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.590 2.717 1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.409 -0.127 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.163 0.839 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.511 0.144 -1.049 1.00 0.00 H new ATOM 470 N SER A 31 9.608 4.373 -3.728 1.00 0.00 N ATOM 471 CA SER A 31 9.229 5.208 -4.903 1.00 0.00 C ATOM 472 C SER A 31 9.650 4.447 -6.178 1.00 0.00 C ATOM 473 O SER A 31 8.916 4.389 -7.128 1.00 0.00 O ATOM 474 CB SER A 31 9.977 6.536 -4.934 1.00 0.00 C ATOM 475 OG SER A 31 9.380 7.382 -5.906 1.00 0.00 O ATOM 0 H SER A 31 10.345 4.781 -3.153 1.00 0.00 H new ATOM 0 HA SER A 31 8.158 5.400 -4.842 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.944 7.009 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.027 6.371 -5.173 1.00 0.00 H new ATOM 0 HG SER A 31 9.855 8.239 -5.930 1.00 0.00 H new ATOM 481 N MET A 32 10.810 3.858 -6.208 1.00 0.00 N ATOM 482 CA MET A 32 11.230 3.111 -7.423 1.00 0.00 C ATOM 483 C MET A 32 10.533 1.751 -7.485 1.00 0.00 C ATOM 484 O MET A 32 10.270 1.169 -8.535 1.00 0.00 O ATOM 485 CB MET A 32 12.736 2.816 -7.244 1.00 0.00 C ATOM 486 CG MET A 32 13.606 3.752 -8.060 1.00 0.00 C ATOM 487 SD MET A 32 14.955 2.753 -8.781 1.00 0.00 S ATOM 488 CE MET A 32 16.339 3.841 -8.347 1.00 0.00 C ATOM 0 H MET A 32 11.486 3.861 -5.444 1.00 0.00 H new ATOM 0 HA MET A 32 10.993 3.689 -8.316 1.00 0.00 H new ATOM 0 HB2 MET A 32 12.999 2.905 -6.190 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.940 1.786 -7.537 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.022 4.232 -8.845 1.00 0.00 H new ATOM 0 HG3 MET A 32 14.010 4.546 -7.432 1.00 0.00 H new ATOM 0 HE1 MET A 32 17.271 3.404 -8.705 1.00 0.00 H new ATOM 0 HE2 MET A 32 16.194 4.817 -8.811 1.00 0.00 H new ATOM 0 HE3 MET A 32 16.385 3.957 -7.264 1.00 0.00 H new ATOM 498 N LEU A 33 10.198 1.197 -6.332 1.00 0.00 N ATOM 499 CA LEU A 33 9.517 -0.144 -6.268 1.00 0.00 C ATOM 500 C LEU A 33 8.070 0.093 -6.738 1.00 0.00 C ATOM 501 O LEU A 33 7.433 -0.688 -7.392 1.00 0.00 O ATOM 502 CB LEU A 33 9.438 -0.594 -4.800 1.00 0.00 C ATOM 503 CG LEU A 33 10.601 -1.536 -4.532 1.00 0.00 C ATOM 504 CD1 LEU A 33 10.807 -1.673 -3.019 1.00 0.00 C ATOM 505 CD2 LEU A 33 10.274 -2.905 -5.127 1.00 0.00 C ATOM 0 H LEU A 33 10.371 1.625 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 33 10.048 -0.885 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.485 0.268 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.490 -1.095 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 33 11.511 -1.142 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.640 -2.348 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.025 -0.694 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.902 -2.074 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.101 -3.590 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.368 -3.296 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.119 -2.807 -6.201 1.00 0.00 H new ATOM 517 N PHE A 34 7.608 1.254 -6.340 1.00 0.00 N ATOM 518 CA PHE A 34 6.202 1.599 -6.775 1.00 0.00 C ATOM 519 C PHE A 34 6.254 2.103 -8.222 1.00 0.00 C ATOM 520 O PHE A 34 5.342 2.015 -9.001 1.00 0.00 O ATOM 521 CB PHE A 34 5.545 2.576 -5.825 1.00 0.00 C ATOM 522 CG PHE A 34 5.250 1.820 -4.535 1.00 0.00 C ATOM 523 CD1 PHE A 34 4.628 0.566 -4.529 1.00 0.00 C ATOM 524 CD2 PHE A 34 5.622 2.419 -3.344 1.00 0.00 C ATOM 525 CE1 PHE A 34 4.366 -0.112 -3.338 1.00 0.00 C ATOM 526 CE2 PHE A 34 5.355 1.725 -2.145 1.00 0.00 C ATOM 527 CZ PHE A 34 4.737 0.478 -2.119 1.00 0.00 C ATOM 0 H PHE A 34 8.099 1.943 -5.770 1.00 0.00 H new ATOM 0 HA PHE A 34 5.571 0.711 -6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.201 3.425 -5.632 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.627 2.974 -6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.344 0.113 -5.468 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.101 3.387 -3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.884 -1.078 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.642 2.180 -1.209 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.547 -0.025 -1.182 1.00 0.00 H new ATOM 537 N ASN A 35 7.407 2.653 -8.539 1.00 0.00 N ATOM 538 CA ASN A 35 7.684 3.214 -9.878 1.00 0.00 C ATOM 539 C ASN A 35 7.723 2.060 -10.905 1.00 0.00 C ATOM 540 O ASN A 35 7.256 2.275 -11.996 1.00 0.00 O ATOM 541 CB ASN A 35 9.036 3.915 -9.961 1.00 0.00 C ATOM 542 CG ASN A 35 9.244 4.299 -11.444 1.00 0.00 C ATOM 543 OD1 ASN A 35 8.578 5.175 -11.941 1.00 0.00 O ATOM 544 ND2 ASN A 35 10.129 3.684 -12.157 1.00 0.00 N ATOM 0 H ASN A 35 8.189 2.732 -7.888 1.00 0.00 H new ATOM 0 HA ASN A 35 6.896 3.939 -10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.053 4.800 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.835 3.259 -9.615 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.263 3.939 -13.135 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.694 2.943 -11.741 1.00 0.00 H new ATOM 551 N GLN A 36 8.256 0.925 -10.520 1.00 0.00 N ATOM 552 CA GLN A 36 8.354 -0.277 -11.377 1.00 0.00 C ATOM 553 C GLN A 36 7.150 -0.403 -12.349 1.00 0.00 C ATOM 554 O GLN A 36 7.225 -0.856 -13.456 1.00 0.00 O ATOM 555 CB GLN A 36 8.277 -1.514 -10.463 1.00 0.00 C ATOM 556 CG GLN A 36 9.669 -2.059 -10.176 1.00 0.00 C ATOM 557 CD GLN A 36 9.653 -3.007 -8.985 1.00 0.00 C ATOM 558 OE1 GLN A 36 10.601 -3.235 -8.281 1.00 0.00 O ATOM 559 NE2 GLN A 36 8.527 -3.629 -8.694 1.00 0.00 N ATOM 0 H GLN A 36 8.647 0.788 -9.588 1.00 0.00 H new ATOM 0 HA GLN A 36 9.281 -0.202 -11.945 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.784 -1.251 -9.527 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.670 -2.285 -10.937 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.047 -2.581 -11.055 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.352 -1.233 -9.978 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.695 -3.469 -9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.489 -4.270 -7.902 1.00 0.00 H new ATOM 568 N PHE A 37 6.038 0.038 -11.848 1.00 0.00 N ATOM 569 CA PHE A 37 4.683 0.064 -12.538 1.00 0.00 C ATOM 570 C PHE A 37 4.400 1.341 -13.330 1.00 0.00 C ATOM 571 O PHE A 37 4.490 2.445 -12.810 1.00 0.00 O ATOM 572 CB PHE A 37 3.632 -0.221 -11.420 1.00 0.00 C ATOM 573 CG PHE A 37 4.091 -1.549 -10.808 1.00 0.00 C ATOM 574 CD1 PHE A 37 3.653 -2.763 -11.319 1.00 0.00 C ATOM 575 CD2 PHE A 37 4.985 -1.484 -9.713 1.00 0.00 C ATOM 576 CE1 PHE A 37 4.136 -3.932 -10.711 1.00 0.00 C ATOM 577 CE2 PHE A 37 5.437 -2.695 -9.135 1.00 0.00 C ATOM 578 CZ PHE A 37 5.012 -3.936 -9.638 1.00 0.00 C ATOM 0 H PHE A 37 5.995 0.419 -10.903 1.00 0.00 H new ATOM 0 HA PHE A 37 4.644 -0.696 -13.318 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.614 0.576 -10.677 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.625 -0.297 -11.829 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.967 -2.806 -12.152 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.315 -0.531 -9.326 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.806 -4.883 -11.102 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.117 -2.664 -8.297 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.357 -4.862 -9.203 1.00 0.00 H new ATOM 588 N PRO A 38 4.061 1.209 -14.594 1.00 0.00 N ATOM 589 CA PRO A 38 3.763 2.314 -15.545 1.00 0.00 C ATOM 590 C PRO A 38 2.749 3.329 -15.020 1.00 0.00 C ATOM 591 O PRO A 38 2.759 4.516 -15.328 1.00 0.00 O ATOM 592 CB PRO A 38 3.147 1.668 -16.802 1.00 0.00 C ATOM 593 CG PRO A 38 2.687 0.310 -16.253 1.00 0.00 C ATOM 594 CD PRO A 38 3.903 -0.048 -15.362 1.00 0.00 C ATOM 0 HA PRO A 38 4.694 2.851 -15.726 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.317 2.253 -17.199 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.875 1.560 -17.606 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.761 0.383 -15.683 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.519 -0.423 -17.042 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.706 -0.905 -14.717 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.789 -0.288 -15.949 1.00 0.00 H new ATOM 602 N GLY A 39 1.852 2.803 -14.195 1.00 0.00 N ATOM 603 CA GLY A 39 0.813 3.701 -13.625 1.00 0.00 C ATOM 604 C GLY A 39 1.390 4.692 -12.596 1.00 0.00 C ATOM 605 O GLY A 39 0.769 5.706 -12.429 1.00 0.00 O ATOM 0 H GLY A 39 1.806 1.825 -13.909 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.335 4.257 -14.432 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.038 3.099 -13.150 1.00 0.00 H new ATOM 609 N PHE A 40 2.478 4.332 -12.018 1.00 0.00 N ATOM 610 CA PHE A 40 3.221 5.106 -10.995 1.00 0.00 C ATOM 611 C PHE A 40 2.506 6.383 -10.620 1.00 0.00 C ATOM 612 O PHE A 40 2.617 7.316 -11.399 1.00 0.00 O ATOM 613 CB PHE A 40 4.623 5.421 -11.561 1.00 0.00 C ATOM 614 CG PHE A 40 5.197 6.566 -10.757 1.00 0.00 C ATOM 615 CD1 PHE A 40 5.216 6.430 -9.361 1.00 0.00 C ATOM 616 CD2 PHE A 40 5.676 7.698 -11.418 1.00 0.00 C ATOM 617 CE1 PHE A 40 5.738 7.482 -8.615 1.00 0.00 C ATOM 618 CE2 PHE A 40 6.199 8.736 -10.614 1.00 0.00 C ATOM 619 CZ PHE A 40 6.236 8.643 -9.210 1.00 0.00 C ATOM 0 H PHE A 40 2.930 3.443 -12.234 1.00 0.00 H new ATOM 0 HA PHE A 40 3.296 4.512 -10.084 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.268 4.545 -11.494 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.558 5.689 -12.616 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.838 5.539 -8.882 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.648 7.777 -12.495 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.759 7.398 -7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.581 9.626 -11.091 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.638 9.446 -8.610 1.00 0.00 H new ATOM 629 N LYS A 41 1.788 6.472 -9.521 1.00 0.00 N ATOM 630 CA LYS A 41 1.091 7.747 -9.269 1.00 0.00 C ATOM 631 C LYS A 41 1.536 8.513 -8.038 1.00 0.00 C ATOM 632 O LYS A 41 1.904 9.677 -8.166 1.00 0.00 O ATOM 633 CB LYS A 41 -0.402 7.418 -9.040 1.00 0.00 C ATOM 634 CG LYS A 41 -1.316 8.179 -9.971 1.00 0.00 C ATOM 635 CD LYS A 41 -2.471 8.723 -9.104 1.00 0.00 C ATOM 636 CE LYS A 41 -3.617 9.246 -9.955 1.00 0.00 C ATOM 637 NZ LYS A 41 -4.659 9.776 -9.021 1.00 0.00 N ATOM 0 H LYS A 41 1.665 5.740 -8.821 1.00 0.00 H new ATOM 0 HA LYS A 41 1.310 8.374 -10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.559 6.348 -9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.667 7.649 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.781 8.993 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.696 7.529 -10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.836 7.933 -8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.099 9.523 -8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.269 10.030 -10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.027 8.451 -10.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.603 9.623 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.593 9.280 -8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.507 10.794 -8.873 1.00 0.00 H new ATOM 651 N GLU A 42 1.495 7.907 -6.884 1.00 0.00 N ATOM 652 CA GLU A 42 1.875 8.625 -5.669 1.00 0.00 C ATOM 653 C GLU A 42 2.466 7.622 -4.669 1.00 0.00 C ATOM 654 O GLU A 42 2.109 6.467 -4.641 1.00 0.00 O ATOM 655 CB GLU A 42 0.670 9.319 -5.003 1.00 0.00 C ATOM 656 CG GLU A 42 1.250 10.350 -4.029 1.00 0.00 C ATOM 657 CD GLU A 42 0.117 11.257 -3.535 1.00 0.00 C ATOM 658 OE1 GLU A 42 -0.924 11.244 -4.165 1.00 0.00 O ATOM 659 OE2 GLU A 42 0.357 11.927 -2.552 1.00 0.00 O ATOM 0 H GLU A 42 1.210 6.937 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 42 2.599 9.391 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.038 9.802 -5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.047 8.596 -4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.725 9.847 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.020 10.943 -4.522 1.00 0.00 H new ATOM 666 N VAL A 43 3.364 8.137 -3.875 1.00 0.00 N ATOM 667 CA VAL A 43 4.094 7.407 -2.842 1.00 0.00 C ATOM 668 C VAL A 43 4.437 8.406 -1.738 1.00 0.00 C ATOM 669 O VAL A 43 5.048 9.417 -1.953 1.00 0.00 O ATOM 670 CB VAL A 43 5.364 6.725 -3.381 1.00 0.00 C ATOM 671 CG1 VAL A 43 6.165 6.160 -2.201 1.00 0.00 C ATOM 672 CG2 VAL A 43 4.968 5.578 -4.311 1.00 0.00 C ATOM 0 H VAL A 43 3.628 9.121 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 43 3.469 6.599 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 43 5.967 7.449 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.067 5.674 -2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.441 6.971 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.557 5.432 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.866 5.093 -4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.371 4.852 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.384 5.970 -5.144 1.00 0.00 H new ATOM 682 N ARG A 44 3.949 8.048 -0.606 1.00 0.00 N ATOM 683 CA ARG A 44 4.053 8.904 0.585 1.00 0.00 C ATOM 684 C ARG A 44 4.800 8.128 1.687 1.00 0.00 C ATOM 685 O ARG A 44 4.197 7.313 2.323 1.00 0.00 O ATOM 686 CB ARG A 44 2.664 9.331 1.043 1.00 0.00 C ATOM 687 CG ARG A 44 2.813 10.673 1.761 1.00 0.00 C ATOM 688 CD ARG A 44 1.749 10.859 2.849 1.00 0.00 C ATOM 689 NE ARG A 44 1.944 9.892 3.949 1.00 0.00 N ATOM 690 CZ ARG A 44 1.257 10.025 5.034 1.00 0.00 C ATOM 691 NH1 ARG A 44 1.328 11.137 5.687 1.00 0.00 N ATOM 692 NH2 ARG A 44 0.517 9.045 5.441 1.00 0.00 N ATOM 0 H ARG A 44 3.464 7.165 -0.449 1.00 0.00 H new ATOM 0 HA ARG A 44 4.613 9.810 0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.990 9.424 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.233 8.584 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.805 10.738 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.737 11.483 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.797 11.875 3.240 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.756 10.730 2.418 1.00 0.00 H new ATOM 0 HE ARG A 44 2.613 9.128 3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.920 11.893 5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.792 11.259 6.546 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.480 8.177 4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.030 9.140 6.297 1.00 0.00 H new ATOM 706 N LEU A 45 6.033 8.473 1.782 1.00 0.00 N ATOM 707 CA LEU A 45 6.979 7.964 2.810 1.00 0.00 C ATOM 708 C LEU A 45 7.788 9.185 3.305 1.00 0.00 C ATOM 709 O LEU A 45 8.800 9.562 2.775 1.00 0.00 O ATOM 710 CB LEU A 45 7.948 7.022 2.092 1.00 0.00 C ATOM 711 CG LEU A 45 8.520 5.934 3.016 1.00 0.00 C ATOM 712 CD1 LEU A 45 9.142 6.576 4.261 1.00 0.00 C ATOM 713 CD2 LEU A 45 7.445 4.911 3.381 1.00 0.00 C ATOM 0 H LEU A 45 6.464 9.139 1.141 1.00 0.00 H new ATOM 0 HA LEU A 45 6.471 7.459 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.434 6.548 1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.769 7.604 1.673 1.00 0.00 H new ATOM 0 HG LEU A 45 9.307 5.397 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.544 5.798 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.945 7.249 3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.380 7.139 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.873 4.151 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.625 5.413 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.069 4.439 2.473 1.00 0.00 H new ATOM 725 N VAL A 46 7.288 9.827 4.314 1.00 0.00 N ATOM 726 CA VAL A 46 7.824 11.085 4.901 1.00 0.00 C ATOM 727 C VAL A 46 8.566 10.887 6.216 1.00 0.00 C ATOM 728 O VAL A 46 7.928 10.523 7.184 1.00 0.00 O ATOM 729 CB VAL A 46 6.576 11.981 5.187 1.00 0.00 C ATOM 730 CG1 VAL A 46 7.069 13.366 5.624 1.00 0.00 C ATOM 731 CG2 VAL A 46 5.741 12.052 3.917 1.00 0.00 C ATOM 0 H VAL A 46 6.453 9.498 4.798 1.00 0.00 H new ATOM 0 HA VAL A 46 8.543 11.515 4.203 1.00 0.00 H new ATOM 0 HB VAL A 46 5.955 11.572 5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.213 14.009 5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.674 13.269 6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.671 13.806 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.863 12.673 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.337 12.485 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.424 11.048 3.633 1.00 0.00 H new ATOM 741 N PRO A 47 9.831 11.142 6.135 1.00 0.00 N ATOM 742 CA PRO A 47 10.798 11.042 7.214 1.00 0.00 C ATOM 743 C PRO A 47 10.263 11.377 8.600 1.00 0.00 C ATOM 744 O PRO A 47 9.305 12.061 8.838 1.00 0.00 O ATOM 745 CB PRO A 47 12.025 11.887 6.801 1.00 0.00 C ATOM 746 CG PRO A 47 12.112 11.434 5.302 1.00 0.00 C ATOM 747 CD PRO A 47 10.603 11.575 4.948 1.00 0.00 C ATOM 0 HA PRO A 47 11.078 9.996 7.339 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.860 12.959 6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.921 11.642 7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 47 12.753 12.078 4.699 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.483 10.416 5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.364 12.606 4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.352 10.962 4.082 1.00 0.00 H new ATOM 755 N GLY A 48 10.940 10.788 9.568 1.00 0.00 N ATOM 756 CA GLY A 48 10.508 10.896 11.004 1.00 0.00 C ATOM 757 C GLY A 48 9.713 9.588 11.257 1.00 0.00 C ATOM 758 O GLY A 48 9.578 9.092 12.349 1.00 0.00 O ATOM 0 H GLY A 48 11.782 10.232 9.420 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.364 10.978 11.673 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.889 11.778 11.169 1.00 0.00 H new ATOM 762 N ARG A 49 9.206 9.064 10.160 1.00 0.00 N ATOM 763 CA ARG A 49 8.436 7.824 10.087 1.00 0.00 C ATOM 764 C ARG A 49 9.362 6.754 9.446 1.00 0.00 C ATOM 765 O ARG A 49 9.744 5.876 10.163 1.00 0.00 O ATOM 766 CB ARG A 49 7.277 8.059 9.085 1.00 0.00 C ATOM 767 CG ARG A 49 6.348 9.090 9.754 1.00 0.00 C ATOM 768 CD ARG A 49 5.863 8.431 11.058 1.00 0.00 C ATOM 769 NE ARG A 49 6.648 9.035 12.161 1.00 0.00 N ATOM 770 CZ ARG A 49 6.062 9.716 13.115 1.00 0.00 C ATOM 771 NH1 ARG A 49 5.095 9.141 13.750 1.00 0.00 N ATOM 772 NH2 ARG A 49 6.443 10.943 13.412 1.00 0.00 N ATOM 0 H ARG A 49 9.321 9.507 9.248 1.00 0.00 H new ATOM 0 HA ARG A 49 8.071 7.521 11.068 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.653 8.432 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.745 7.130 8.877 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.879 10.020 9.959 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.508 9.339 9.105 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.796 8.602 11.204 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.011 7.352 11.024 1.00 0.00 H new ATOM 0 HE ARG A 49 7.661 8.919 12.178 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.815 8.192 13.502 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.612 9.636 14.500 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.207 11.379 12.895 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.974 11.456 14.158 1.00 0.00 H new ATOM 786 N HIS A 50 9.580 6.924 8.170 1.00 0.00 N ATOM 787 CA HIS A 50 10.382 5.871 7.405 1.00 0.00 C ATOM 788 C HIS A 50 9.525 4.592 7.661 1.00 0.00 C ATOM 789 O HIS A 50 10.041 3.517 7.591 1.00 0.00 O ATOM 790 CB HIS A 50 11.799 5.637 7.876 1.00 0.00 C ATOM 791 CG HIS A 50 12.306 6.568 8.924 1.00 0.00 C ATOM 792 ND1 HIS A 50 12.883 7.801 8.617 1.00 0.00 N ATOM 793 CD2 HIS A 50 12.378 6.514 10.299 1.00 0.00 C ATOM 794 CE1 HIS A 50 13.238 8.356 9.796 1.00 0.00 C ATOM 795 NE2 HIS A 50 12.960 7.633 10.868 1.00 0.00 N ATOM 0 H HIS A 50 9.256 7.718 7.618 1.00 0.00 H new ATOM 0 HA HIS A 50 10.527 6.174 6.368 1.00 0.00 H new ATOM 0 HB2 HIS A 50 11.869 4.619 8.259 1.00 0.00 H new ATOM 0 HB3 HIS A 50 12.462 5.699 7.013 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.015 5.678 10.878 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.716 9.323 9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 50 13.129 7.844 11.851 1.00 0.00 H new ATOM 804 N ASP A 51 8.258 4.802 7.973 1.00 0.00 N ATOM 805 CA ASP A 51 7.445 3.602 8.303 1.00 0.00 C ATOM 806 C ASP A 51 5.988 3.635 7.893 1.00 0.00 C ATOM 807 O ASP A 51 5.339 2.609 7.957 1.00 0.00 O ATOM 808 CB ASP A 51 7.458 3.476 9.843 1.00 0.00 C ATOM 809 CG ASP A 51 7.504 2.039 10.305 1.00 0.00 C ATOM 810 OD1 ASP A 51 6.664 1.253 9.916 1.00 0.00 O ATOM 811 OD2 ASP A 51 8.419 1.748 11.076 1.00 0.00 O ATOM 0 H ASP A 51 7.783 5.704 8.010 1.00 0.00 H new ATOM 0 HA ASP A 51 7.894 2.778 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.321 4.010 10.241 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.569 3.957 10.251 1.00 0.00 H new ATOM 816 N ILE A 52 5.426 4.744 7.450 1.00 0.00 N ATOM 817 CA ILE A 52 4.021 4.891 7.040 1.00 0.00 C ATOM 818 C ILE A 52 4.040 5.175 5.520 1.00 0.00 C ATOM 819 O ILE A 52 4.471 6.198 5.054 1.00 0.00 O ATOM 820 CB ILE A 52 3.252 5.972 7.767 1.00 0.00 C ATOM 821 CG1 ILE A 52 3.895 7.358 7.634 1.00 0.00 C ATOM 822 CG2 ILE A 52 3.105 5.618 9.263 1.00 0.00 C ATOM 823 CD1 ILE A 52 3.036 8.278 6.787 1.00 0.00 C ATOM 0 H ILE A 52 5.951 5.613 7.358 1.00 0.00 H new ATOM 0 HA ILE A 52 3.493 3.973 7.297 1.00 0.00 H new ATOM 0 HB ILE A 52 2.271 6.019 7.294 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.035 7.794 8.623 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.884 7.262 7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.549 6.406 9.771 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.569 4.674 9.363 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.093 5.523 9.713 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.515 9.254 6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.918 7.851 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.056 8.391 7.252 1.00 0.00 H new ATOM 835 N ALA A 53 3.581 4.190 4.763 1.00 0.00 N ATOM 836 CA ALA A 53 3.625 4.243 3.301 1.00 0.00 C ATOM 837 C ALA A 53 2.192 4.297 2.723 1.00 0.00 C ATOM 838 O ALA A 53 1.387 3.396 2.957 1.00 0.00 O ATOM 839 CB ALA A 53 4.308 2.963 2.790 1.00 0.00 C ATOM 0 H ALA A 53 3.169 3.335 5.137 1.00 0.00 H new ATOM 0 HA ALA A 53 4.172 5.132 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.351 2.983 1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.320 2.905 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.738 2.092 3.115 1.00 0.00 H new ATOM 845 N PHE A 54 1.992 5.369 2.028 1.00 0.00 N ATOM 846 CA PHE A 54 0.725 5.678 1.267 1.00 0.00 C ATOM 847 C PHE A 54 1.055 5.764 -0.246 1.00 0.00 C ATOM 848 O PHE A 54 1.627 6.683 -0.771 1.00 0.00 O ATOM 849 CB PHE A 54 0.013 6.925 1.762 1.00 0.00 C ATOM 850 CG PHE A 54 -0.837 7.604 0.696 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.600 6.854 -0.213 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.876 9.004 0.600 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.370 7.479 -1.183 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.648 9.657 -0.371 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.398 8.865 -1.269 1.00 0.00 C ATOM 0 H PHE A 54 2.696 6.102 1.942 1.00 0.00 H new ATOM 0 HA PHE A 54 0.020 4.866 1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.622 6.660 2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.754 7.634 2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.587 5.776 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.295 9.594 1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.950 6.885 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.669 10.735 -0.431 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.999 9.342 -2.029 1.00 0.00 H new ATOM 865 N VAL A 55 0.671 4.689 -0.943 1.00 0.00 N ATOM 866 CA VAL A 55 0.959 4.473 -2.361 1.00 0.00 C ATOM 867 C VAL A 55 -0.317 4.357 -3.179 1.00 0.00 C ATOM 868 O VAL A 55 -1.162 3.491 -3.146 1.00 0.00 O ATOM 869 CB VAL A 55 1.692 3.105 -2.462 1.00 0.00 C ATOM 870 CG1 VAL A 55 2.023 2.746 -3.885 1.00 0.00 C ATOM 871 CG2 VAL A 55 2.947 3.185 -1.571 1.00 0.00 C ATOM 0 H VAL A 55 0.138 3.927 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 55 1.544 5.310 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 55 1.041 2.304 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.534 1.783 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.104 2.683 -4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.671 3.511 -4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.487 2.239 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.593 3.990 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.650 3.383 -0.541 1.00 0.00 H new ATOM 881 N GLU A 56 -0.427 5.358 -4.013 1.00 0.00 N ATOM 882 CA GLU A 56 -1.531 5.615 -4.960 1.00 0.00 C ATOM 883 C GLU A 56 -1.028 5.212 -6.367 1.00 0.00 C ATOM 884 O GLU A 56 -0.121 5.742 -6.934 1.00 0.00 O ATOM 885 CB GLU A 56 -1.767 7.130 -5.016 1.00 0.00 C ATOM 886 CG GLU A 56 -3.200 7.509 -5.362 1.00 0.00 C ATOM 887 CD GLU A 56 -3.296 8.913 -5.976 1.00 0.00 C ATOM 888 OE1 GLU A 56 -2.313 9.652 -5.928 1.00 0.00 O ATOM 889 OE2 GLU A 56 -4.342 9.270 -6.498 1.00 0.00 O ATOM 0 H GLU A 56 0.293 6.078 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.429 5.074 -4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.507 7.566 -4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.095 7.567 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.608 6.780 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.813 7.465 -4.462 1.00 0.00 H new ATOM 896 N PHE A 57 -1.632 4.185 -6.852 1.00 0.00 N ATOM 897 CA PHE A 57 -1.288 3.508 -8.142 1.00 0.00 C ATOM 898 C PHE A 57 -2.468 3.701 -9.126 1.00 0.00 C ATOM 899 O PHE A 57 -3.488 3.133 -8.883 1.00 0.00 O ATOM 900 CB PHE A 57 -1.201 1.974 -7.976 1.00 0.00 C ATOM 901 CG PHE A 57 0.185 1.431 -7.818 1.00 0.00 C ATOM 902 CD1 PHE A 57 0.924 1.763 -6.683 1.00 0.00 C ATOM 903 CD2 PHE A 57 0.721 0.600 -8.796 1.00 0.00 C ATOM 904 CE1 PHE A 57 2.222 1.216 -6.590 1.00 0.00 C ATOM 905 CE2 PHE A 57 2.005 0.078 -8.671 1.00 0.00 C ATOM 906 CZ PHE A 57 2.770 0.388 -7.557 1.00 0.00 C ATOM 0 H PHE A 57 -2.417 3.743 -6.374 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.341 3.929 -8.480 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -1.790 1.684 -7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.662 1.503 -8.844 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.523 2.406 -5.914 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.131 0.356 -9.667 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.818 1.455 -5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.404 -0.567 -9.440 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.769 -0.006 -7.445 1.00 0.00 H new ATOM 916 N ASP A 58 -2.193 4.506 -10.080 1.00 0.00 N ATOM 917 CA ASP A 58 -3.172 4.870 -11.166 1.00 0.00 C ATOM 918 C ASP A 58 -4.211 3.769 -11.359 1.00 0.00 C ATOM 919 O ASP A 58 -5.354 4.028 -11.654 1.00 0.00 O ATOM 920 CB ASP A 58 -2.451 5.137 -12.477 1.00 0.00 C ATOM 921 CG ASP A 58 -3.196 6.164 -13.339 1.00 0.00 C ATOM 922 OD1 ASP A 58 -4.323 6.451 -13.008 1.00 0.00 O ATOM 923 OD2 ASP A 58 -2.565 6.599 -14.288 1.00 0.00 O ATOM 0 H ASP A 58 -1.287 4.964 -10.178 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.685 5.780 -10.856 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.444 5.498 -12.271 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.348 4.204 -13.031 1.00 0.00 H new ATOM 928 N ASN A 59 -3.875 2.503 -11.190 1.00 0.00 N ATOM 929 CA ASN A 59 -4.926 1.451 -11.349 1.00 0.00 C ATOM 930 C ASN A 59 -4.605 0.207 -10.495 1.00 0.00 C ATOM 931 O ASN A 59 -3.514 -0.228 -10.324 1.00 0.00 O ATOM 932 CB ASN A 59 -5.076 1.127 -12.822 1.00 0.00 C ATOM 933 CG ASN A 59 -5.117 -0.370 -13.086 1.00 0.00 C ATOM 934 OD1 ASN A 59 -4.093 -0.997 -13.011 1.00 0.00 O ATOM 935 ND2 ASN A 59 -6.260 -0.909 -13.380 1.00 0.00 N ATOM 0 H ASN A 59 -2.942 2.165 -10.955 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.882 1.824 -10.982 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.990 1.585 -13.201 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.246 1.568 -13.374 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -6.320 -1.911 -13.561 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.099 -0.331 -13.430 1.00 0.00 H new ATOM 942 N GLU A 60 -5.612 -0.390 -9.932 1.00 0.00 N ATOM 943 CA GLU A 60 -5.474 -1.628 -9.066 1.00 0.00 C ATOM 944 C GLU A 60 -4.826 -2.820 -9.774 1.00 0.00 C ATOM 945 O GLU A 60 -4.330 -3.710 -9.137 1.00 0.00 O ATOM 946 CB GLU A 60 -6.802 -1.979 -8.402 1.00 0.00 C ATOM 947 CG GLU A 60 -7.800 -2.594 -9.365 1.00 0.00 C ATOM 948 CD GLU A 60 -7.904 -1.842 -10.693 1.00 0.00 C ATOM 949 OE1 GLU A 60 -8.346 -0.707 -10.675 1.00 0.00 O ATOM 950 OE2 GLU A 60 -7.532 -2.431 -11.680 1.00 0.00 O ATOM 0 H GLU A 60 -6.575 -0.068 -10.032 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.765 -1.374 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.620 -2.674 -7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.234 -1.078 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.514 -3.627 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.782 -2.619 -8.892 1.00 0.00 H new ATOM 957 N VAL A 61 -4.763 -2.940 -11.084 1.00 0.00 N ATOM 958 CA VAL A 61 -4.067 -4.121 -11.724 1.00 0.00 C ATOM 959 C VAL A 61 -2.559 -3.897 -11.409 1.00 0.00 C ATOM 960 O VAL A 61 -1.847 -4.779 -10.995 1.00 0.00 O ATOM 961 CB VAL A 61 -4.248 -4.131 -13.231 1.00 0.00 C ATOM 962 CG1 VAL A 61 -3.266 -5.159 -13.839 1.00 0.00 C ATOM 963 CG2 VAL A 61 -5.688 -4.583 -13.548 1.00 0.00 C ATOM 0 H VAL A 61 -5.163 -2.272 -11.743 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.466 -5.063 -11.347 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.061 -3.139 -13.642 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.384 -5.178 -14.922 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.243 -4.876 -13.590 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.478 -6.148 -13.434 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.836 -4.596 -14.628 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.852 -5.583 -13.147 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.395 -3.890 -13.093 1.00 0.00 H new ATOM 973 N GLN A 62 -2.193 -2.655 -11.624 1.00 0.00 N ATOM 974 CA GLN A 62 -0.760 -2.292 -11.301 1.00 0.00 C ATOM 975 C GLN A 62 -0.589 -2.056 -9.807 1.00 0.00 C ATOM 976 O GLN A 62 0.496 -2.277 -9.281 1.00 0.00 O ATOM 977 CB GLN A 62 -0.184 -1.163 -12.165 1.00 0.00 C ATOM 978 CG GLN A 62 -1.121 0.009 -12.425 1.00 0.00 C ATOM 979 CD GLN A 62 -0.523 1.268 -11.748 1.00 0.00 C ATOM 980 OE1 GLN A 62 -1.168 2.043 -11.088 1.00 0.00 O ATOM 981 NE2 GLN A 62 0.747 1.492 -11.906 1.00 0.00 N ATOM 0 H GLN A 62 -2.782 -1.907 -11.989 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.152 -3.155 -11.572 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.717 -0.785 -11.683 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.119 -1.582 -13.124 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.237 0.173 -13.496 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.113 -0.202 -12.026 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.313 0.850 -12.460 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.178 2.310 -11.476 1.00 0.00 H new ATOM 990 N ALA A 63 -1.559 -1.634 -9.086 1.00 0.00 N ATOM 991 CA ALA A 63 -1.386 -1.400 -7.617 1.00 0.00 C ATOM 992 C ALA A 63 -1.281 -2.816 -7.016 1.00 0.00 C ATOM 993 O ALA A 63 -0.492 -3.129 -6.157 1.00 0.00 O ATOM 994 CB ALA A 63 -2.579 -0.667 -7.026 1.00 0.00 C ATOM 0 H ALA A 63 -2.493 -1.431 -9.442 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.515 -0.780 -7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.420 -0.514 -5.959 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.693 0.299 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.481 -1.260 -7.177 1.00 0.00 H new ATOM 1000 N GLY A 64 -2.144 -3.636 -7.543 1.00 0.00 N ATOM 1001 CA GLY A 64 -2.235 -5.081 -7.121 1.00 0.00 C ATOM 1002 C GLY A 64 -0.977 -5.746 -7.619 1.00 0.00 C ATOM 1003 O GLY A 64 -0.438 -6.640 -6.996 1.00 0.00 O ATOM 0 H GLY A 64 -2.811 -3.369 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.317 -5.165 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.120 -5.555 -7.545 1.00 0.00 H new ATOM 1007 N ALA A 65 -0.450 -5.352 -8.745 1.00 0.00 N ATOM 1008 CA ALA A 65 0.792 -5.978 -9.272 1.00 0.00 C ATOM 1009 C ALA A 65 1.932 -5.642 -8.293 1.00 0.00 C ATOM 1010 O ALA A 65 2.597 -6.526 -7.787 1.00 0.00 O ATOM 1011 CB ALA A 65 1.185 -5.475 -10.647 1.00 0.00 C ATOM 0 H ALA A 65 -0.835 -4.611 -9.330 1.00 0.00 H new ATOM 0 HA ALA A 65 0.610 -7.049 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.099 -5.974 -10.969 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.385 -5.690 -11.355 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.354 -4.399 -10.606 1.00 0.00 H new ATOM 1017 N ALA A 66 2.169 -4.383 -8.004 1.00 0.00 N ATOM 1018 CA ALA A 66 3.224 -3.914 -7.071 1.00 0.00 C ATOM 1019 C ALA A 66 3.005 -4.541 -5.695 1.00 0.00 C ATOM 1020 O ALA A 66 3.899 -5.034 -5.030 1.00 0.00 O ATOM 1021 CB ALA A 66 3.057 -2.394 -6.880 1.00 0.00 C ATOM 0 H ALA A 66 1.630 -3.619 -8.411 1.00 0.00 H new ATOM 0 HA ALA A 66 4.202 -4.178 -7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.823 -2.027 -6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.159 -1.893 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.071 -2.186 -6.465 1.00 0.00 H new ATOM 1027 N ARG A 67 1.778 -4.520 -5.264 1.00 0.00 N ATOM 1028 CA ARG A 67 1.384 -5.082 -3.960 1.00 0.00 C ATOM 1029 C ARG A 67 1.638 -6.589 -3.966 1.00 0.00 C ATOM 1030 O ARG A 67 2.076 -7.201 -3.015 1.00 0.00 O ATOM 1031 CB ARG A 67 -0.118 -4.789 -3.753 1.00 0.00 C ATOM 1032 CG ARG A 67 -0.549 -5.035 -2.295 1.00 0.00 C ATOM 1033 CD ARG A 67 -0.729 -6.538 -2.060 1.00 0.00 C ATOM 1034 NE ARG A 67 0.076 -6.907 -0.852 1.00 0.00 N ATOM 1035 CZ ARG A 67 -0.542 -7.224 0.269 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -1.105 -8.394 0.358 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -0.567 -6.355 1.247 1.00 0.00 N ATOM 0 H ARG A 67 1.004 -4.117 -5.792 1.00 0.00 H new ATOM 0 HA ARG A 67 1.962 -4.637 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.328 -3.755 -4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.707 -5.420 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.201 -4.637 -1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.481 -4.510 -2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.781 -6.778 -1.907 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.396 -7.104 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 67 1.095 -6.913 -0.896 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.062 -9.042 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.589 -8.663 1.214 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.113 -5.449 1.136 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.041 -6.584 2.121 1.00 0.00 H new ATOM 1051 N ASP A 68 1.372 -7.244 -5.056 1.00 0.00 N ATOM 1052 CA ASP A 68 1.577 -8.720 -5.197 1.00 0.00 C ATOM 1053 C ASP A 68 3.079 -9.008 -5.293 1.00 0.00 C ATOM 1054 O ASP A 68 3.554 -10.039 -4.893 1.00 0.00 O ATOM 1055 CB ASP A 68 0.889 -9.303 -6.447 1.00 0.00 C ATOM 1056 CG ASP A 68 1.587 -10.591 -6.916 1.00 0.00 C ATOM 1057 OD1 ASP A 68 1.219 -11.654 -6.478 1.00 0.00 O ATOM 1058 OD2 ASP A 68 2.491 -10.472 -7.720 1.00 0.00 O ATOM 0 H ASP A 68 1.003 -6.800 -5.897 1.00 0.00 H new ATOM 0 HA ASP A 68 1.131 -9.192 -4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.157 -9.513 -6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.902 -8.566 -7.250 1.00 0.00 H new ATOM 1063 N ALA A 69 3.789 -8.048 -5.840 1.00 0.00 N ATOM 1064 CA ALA A 69 5.257 -8.193 -5.997 1.00 0.00 C ATOM 1065 C ALA A 69 5.938 -8.021 -4.626 1.00 0.00 C ATOM 1066 O ALA A 69 6.919 -8.679 -4.381 1.00 0.00 O ATOM 1067 CB ALA A 69 5.741 -7.152 -6.999 1.00 0.00 C ATOM 0 H ALA A 69 3.404 -7.168 -6.184 1.00 0.00 H new ATOM 0 HA ALA A 69 5.512 -9.184 -6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.820 -7.244 -7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.247 -7.312 -7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.503 -6.154 -6.630 1.00 0.00 H new ATOM 1073 N LEU A 70 5.376 -7.160 -3.838 1.00 0.00 N ATOM 1074 CA LEU A 70 5.978 -6.935 -2.483 1.00 0.00 C ATOM 1075 C LEU A 70 4.901 -7.344 -1.461 1.00 0.00 C ATOM 1076 O LEU A 70 4.699 -6.746 -0.419 1.00 0.00 O ATOM 1077 CB LEU A 70 6.439 -5.488 -2.294 1.00 0.00 C ATOM 1078 CG LEU A 70 5.263 -4.514 -2.153 1.00 0.00 C ATOM 1079 CD1 LEU A 70 5.342 -3.834 -0.779 1.00 0.00 C ATOM 1080 CD2 LEU A 70 5.416 -3.462 -3.247 1.00 0.00 C ATOM 0 H LEU A 70 4.546 -6.609 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 70 6.880 -7.533 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.069 -5.423 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.053 -5.191 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 70 4.308 -5.031 -2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.510 -3.139 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.290 -4.590 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.283 -3.290 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.596 -2.747 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.364 -2.940 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.397 -3.947 -4.223 1.00 0.00 H new ATOM 1092 N GLN A 71 4.209 -8.407 -1.805 1.00 0.00 N ATOM 1093 CA GLN A 71 3.117 -8.989 -0.976 1.00 0.00 C ATOM 1094 C GLN A 71 3.627 -9.635 0.318 1.00 0.00 C ATOM 1095 O GLN A 71 2.852 -10.302 0.963 1.00 0.00 O ATOM 1096 CB GLN A 71 2.369 -10.095 -1.753 1.00 0.00 C ATOM 1097 CG GLN A 71 0.892 -9.973 -1.447 1.00 0.00 C ATOM 1098 CD GLN A 71 0.223 -11.272 -1.896 1.00 0.00 C ATOM 1099 OE1 GLN A 71 -0.447 -11.291 -2.914 1.00 0.00 O ATOM 1100 NE2 GLN A 71 0.387 -12.335 -1.169 1.00 0.00 N ATOM 0 H GLN A 71 4.372 -8.915 -2.674 1.00 0.00 H new ATOM 0 HA GLN A 71 2.464 -8.151 -0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.545 -9.992 -2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.737 -11.079 -1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.733 -9.808 -0.381 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.461 -9.119 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.953 -12.291 -0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.050 -13.214 -1.445 1.00 0.00 H new ATOM 1109 N GLY A 72 4.843 -9.474 0.717 1.00 0.00 N ATOM 1110 CA GLY A 72 5.353 -10.085 1.966 1.00 0.00 C ATOM 1111 C GLY A 72 6.696 -9.408 2.296 1.00 0.00 C ATOM 1112 O GLY A 72 7.666 -10.084 2.509 1.00 0.00 O ATOM 0 H GLY A 72 5.535 -8.922 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.642 -9.944 2.780 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.486 -11.160 1.841 1.00 0.00 H new ATOM 1116 N PHE A 73 6.670 -8.111 2.316 1.00 0.00 N ATOM 1117 CA PHE A 73 7.949 -7.400 2.637 1.00 0.00 C ATOM 1118 C PHE A 73 8.213 -7.653 4.138 1.00 0.00 C ATOM 1119 O PHE A 73 7.943 -6.844 4.987 1.00 0.00 O ATOM 1120 CB PHE A 73 7.890 -5.924 2.303 1.00 0.00 C ATOM 1121 CG PHE A 73 9.297 -5.345 2.272 1.00 0.00 C ATOM 1122 CD1 PHE A 73 10.223 -5.993 1.467 1.00 0.00 C ATOM 1123 CD2 PHE A 73 9.639 -4.212 3.025 1.00 0.00 C ATOM 1124 CE1 PHE A 73 11.540 -5.478 1.417 1.00 0.00 C ATOM 1125 CE2 PHE A 73 10.947 -3.744 2.945 1.00 0.00 C ATOM 1126 CZ PHE A 73 11.923 -4.356 2.147 1.00 0.00 C ATOM 0 H PHE A 73 5.857 -7.523 2.133 1.00 0.00 H new ATOM 0 HA PHE A 73 8.768 -7.782 2.028 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.406 -5.780 1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.287 -5.398 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.946 -6.866 0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.909 -3.718 3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.271 -5.971 0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.221 -2.873 3.522 1.00 0.00 H new ATOM 0 HZ PHE A 73 12.932 -3.973 2.100 1.00 0.00 H new ATOM 1136 N LYS A 74 8.749 -8.827 4.388 1.00 0.00 N ATOM 1137 CA LYS A 74 9.075 -9.273 5.760 1.00 0.00 C ATOM 1138 C LYS A 74 10.330 -8.488 6.196 1.00 0.00 C ATOM 1139 O LYS A 74 11.431 -8.932 5.931 1.00 0.00 O ATOM 1140 CB LYS A 74 9.338 -10.779 5.820 1.00 0.00 C ATOM 1141 CG LYS A 74 10.196 -11.207 4.633 1.00 0.00 C ATOM 1142 CD LYS A 74 11.195 -12.294 5.044 1.00 0.00 C ATOM 1143 CE LYS A 74 10.377 -13.575 5.301 1.00 0.00 C ATOM 1144 NZ LYS A 74 9.563 -13.900 4.087 1.00 0.00 N ATOM 0 H LYS A 74 8.977 -9.509 3.664 1.00 0.00 H new ATOM 0 HA LYS A 74 8.234 -9.082 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.842 -11.032 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.393 -11.322 5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.557 -11.579 3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.733 -10.345 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.933 -12.458 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.742 -11.998 5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.044 -14.404 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.724 -13.436 6.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.457 -14.931 4.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.624 -13.461 4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.042 -13.533 3.240 1.00 0.00 H new ATOM 1158 N ILE A 75 10.096 -7.384 6.827 1.00 0.00 N ATOM 1159 CA ILE A 75 11.257 -6.555 7.292 1.00 0.00 C ATOM 1160 C ILE A 75 12.108 -7.476 8.193 1.00 0.00 C ATOM 1161 O ILE A 75 13.306 -7.327 8.297 1.00 0.00 O ATOM 1162 CB ILE A 75 10.700 -5.361 8.044 1.00 0.00 C ATOM 1163 CG1 ILE A 75 10.675 -4.158 7.079 1.00 0.00 C ATOM 1164 CG2 ILE A 75 11.616 -4.956 9.200 1.00 0.00 C ATOM 1165 CD1 ILE A 75 9.468 -4.205 6.149 1.00 0.00 C ATOM 0 H ILE A 75 9.171 -7.013 7.045 1.00 0.00 H new ATOM 0 HA ILE A 75 11.878 -6.174 6.482 1.00 0.00 H new ATOM 0 HB ILE A 75 9.714 -5.629 8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.656 -3.232 7.653 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.590 -4.147 6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.189 -4.098 9.719 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.714 -5.789 9.896 1.00 0.00 H new ATOM 0 HG23 ILE A 75 12.599 -4.692 8.810 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.486 -3.341 5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.501 -5.119 5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.552 -4.189 6.740 1.00 0.00 H new ATOM 1177 N THR A 76 11.459 -8.420 8.822 1.00 0.00 N ATOM 1178 CA THR A 76 12.241 -9.351 9.704 1.00 0.00 C ATOM 1179 C THR A 76 11.761 -10.812 9.537 1.00 0.00 C ATOM 1180 O THR A 76 12.594 -11.678 9.516 1.00 0.00 O ATOM 1181 CB THR A 76 12.123 -8.938 11.178 1.00 0.00 C ATOM 1182 OG1 THR A 76 12.400 -7.533 11.242 1.00 0.00 O ATOM 1183 CG2 THR A 76 13.107 -9.708 12.042 1.00 0.00 C ATOM 0 H THR A 76 10.454 -8.589 8.771 1.00 0.00 H new ATOM 0 HA THR A 76 13.286 -9.287 9.399 1.00 0.00 H new ATOM 0 HB THR A 76 11.125 -9.160 11.555 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.333 -7.228 12.171 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.001 -9.395 13.081 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.903 -10.776 11.962 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.123 -9.506 11.704 1.00 0.00 H new ATOM 1191 N GLN A 77 10.486 -10.944 9.442 1.00 0.00 N ATOM 1192 CA GLN A 77 9.761 -12.243 9.286 1.00 0.00 C ATOM 1193 C GLN A 77 8.636 -12.215 10.353 1.00 0.00 C ATOM 1194 O GLN A 77 7.485 -12.477 10.084 1.00 0.00 O ATOM 1195 CB GLN A 77 10.660 -13.449 9.461 1.00 0.00 C ATOM 1196 CG GLN A 77 9.723 -14.671 9.588 1.00 0.00 C ATOM 1197 CD GLN A 77 10.384 -15.940 9.095 1.00 0.00 C ATOM 1198 OE1 GLN A 77 11.226 -16.536 9.737 1.00 0.00 O ATOM 1199 NE2 GLN A 77 10.018 -16.396 7.923 1.00 0.00 N ATOM 0 H GLN A 77 9.855 -10.143 9.467 1.00 0.00 H new ATOM 0 HA GLN A 77 9.368 -12.343 8.274 1.00 0.00 H new ATOM 0 HB2 GLN A 77 11.332 -13.560 8.610 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.284 -13.343 10.348 1.00 0.00 H new ATOM 0 HG2 GLN A 77 9.428 -14.796 10.630 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.812 -14.491 9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.312 -15.899 7.380 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.439 -17.248 7.553 1.00 0.00 H new ATOM 1208 N ASN A 78 9.059 -11.868 11.537 1.00 0.00 N ATOM 1209 CA ASN A 78 8.108 -11.738 12.702 1.00 0.00 C ATOM 1210 C ASN A 78 7.416 -10.370 12.474 1.00 0.00 C ATOM 1211 O ASN A 78 6.281 -10.131 12.793 1.00 0.00 O ATOM 1212 CB ASN A 78 8.920 -11.749 13.980 1.00 0.00 C ATOM 1213 CG ASN A 78 8.108 -12.433 15.082 1.00 0.00 C ATOM 1214 OD1 ASN A 78 6.927 -12.235 15.192 1.00 0.00 O ATOM 1215 ND2 ASN A 78 8.704 -13.236 15.904 1.00 0.00 N ATOM 0 H ASN A 78 10.033 -11.664 11.760 1.00 0.00 H new ATOM 0 HA ASN A 78 7.375 -12.541 12.778 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.861 -12.277 13.823 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.171 -10.730 14.275 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.172 -13.698 16.642 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.706 -13.407 15.814 1.00 0.00 H new ATOM 1222 N ASN A 79 8.201 -9.501 11.881 1.00 0.00 N ATOM 1223 CA ASN A 79 7.775 -8.118 11.514 1.00 0.00 C ATOM 1224 C ASN A 79 7.630 -8.124 9.972 1.00 0.00 C ATOM 1225 O ASN A 79 8.595 -8.372 9.265 1.00 0.00 O ATOM 1226 CB ASN A 79 8.811 -7.087 11.922 1.00 0.00 C ATOM 1227 CG ASN A 79 8.986 -7.091 13.442 1.00 0.00 C ATOM 1228 OD1 ASN A 79 8.869 -8.135 14.043 1.00 0.00 O ATOM 1229 ND2 ASN A 79 9.257 -5.985 14.096 1.00 0.00 N ATOM 0 H ASN A 79 9.166 -9.710 11.626 1.00 0.00 H new ATOM 0 HA ASN A 79 6.849 -7.852 12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 79 9.763 -7.305 11.438 1.00 0.00 H new ATOM 0 HB3 ASN A 79 8.502 -6.097 11.586 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.369 -6.006 15.110 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.356 -5.105 13.590 1.00 0.00 H new ATOM 1236 N ALA A 80 6.464 -7.869 9.482 1.00 0.00 N ATOM 1237 CA ALA A 80 6.262 -7.873 7.989 1.00 0.00 C ATOM 1238 C ALA A 80 5.382 -6.632 7.710 1.00 0.00 C ATOM 1239 O ALA A 80 4.453 -6.427 8.444 1.00 0.00 O ATOM 1240 CB ALA A 80 5.494 -9.090 7.523 1.00 0.00 C ATOM 0 H ALA A 80 5.633 -7.656 10.034 1.00 0.00 H new ATOM 0 HA ALA A 80 7.224 -7.873 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.372 -9.051 6.441 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.043 -9.992 7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.513 -9.105 7.998 1.00 0.00 H new ATOM 1246 N MET A 81 5.748 -5.920 6.697 1.00 0.00 N ATOM 1247 CA MET A 81 5.011 -4.694 6.303 1.00 0.00 C ATOM 1248 C MET A 81 3.506 -4.839 6.378 1.00 0.00 C ATOM 1249 O MET A 81 2.913 -5.880 6.293 1.00 0.00 O ATOM 1250 CB MET A 81 5.364 -4.427 4.822 1.00 0.00 C ATOM 1251 CG MET A 81 4.171 -4.569 3.905 1.00 0.00 C ATOM 1252 SD MET A 81 3.855 -6.296 3.419 1.00 0.00 S ATOM 1253 CE MET A 81 2.085 -6.139 3.129 1.00 0.00 C ATOM 0 H MET A 81 6.550 -6.139 6.106 1.00 0.00 H new ATOM 0 HA MET A 81 5.298 -3.896 6.988 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.774 -3.422 4.726 1.00 0.00 H new ATOM 0 HB3 MET A 81 6.144 -5.121 4.508 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.287 -4.169 4.402 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.333 -3.968 3.010 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.608 -7.111 3.255 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.661 -5.432 3.842 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.913 -5.779 2.115 1.00 0.00 H new ATOM 1263 N LYS A 82 2.823 -3.712 6.504 1.00 0.00 N ATOM 1264 CA LYS A 82 1.345 -3.676 6.495 1.00 0.00 C ATOM 1265 C LYS A 82 0.927 -2.504 5.553 1.00 0.00 C ATOM 1266 O LYS A 82 1.283 -1.392 5.866 1.00 0.00 O ATOM 1267 CB LYS A 82 0.748 -3.616 7.894 1.00 0.00 C ATOM 1268 CG LYS A 82 1.215 -4.883 8.659 1.00 0.00 C ATOM 1269 CD LYS A 82 0.612 -6.144 8.065 1.00 0.00 C ATOM 1270 CE LYS A 82 -0.820 -6.251 8.635 1.00 0.00 C ATOM 1271 NZ LYS A 82 -1.767 -5.377 7.914 1.00 0.00 N ATOM 0 H LYS A 82 3.260 -2.797 6.615 1.00 0.00 H new ATOM 0 HA LYS A 82 0.932 -4.606 6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.075 -2.714 8.411 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.340 -3.578 7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.303 -4.948 8.627 1.00 0.00 H new ATOM 0 HG3 LYS A 82 0.931 -4.802 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.594 -6.091 6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.203 -7.020 8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.160 -7.285 8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.811 -5.983 9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.635 -5.908 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.002 -4.556 8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.332 -5.050 7.028 1.00 0.00 H new ATOM 1285 N ILE A 83 0.298 -2.950 4.502 1.00 0.00 N ATOM 1286 CA ILE A 83 -0.168 -2.163 3.325 1.00 0.00 C ATOM 1287 C ILE A 83 -1.635 -2.574 3.121 1.00 0.00 C ATOM 1288 O ILE A 83 -1.897 -3.689 2.748 1.00 0.00 O ATOM 1289 CB ILE A 83 0.689 -2.624 2.108 1.00 0.00 C ATOM 1290 CG1 ILE A 83 2.020 -1.908 2.239 1.00 0.00 C ATOM 1291 CG2 ILE A 83 0.005 -2.187 0.810 1.00 0.00 C ATOM 1292 CD1 ILE A 83 3.100 -2.533 1.330 1.00 0.00 C ATOM 0 H ILE A 83 0.066 -3.939 4.409 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.077 -1.084 3.448 1.00 0.00 H new ATOM 0 HB ILE A 83 0.812 -3.707 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.894 -0.856 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.352 -1.945 3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.603 -2.509 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.985 -2.639 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.091 -1.101 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.038 -1.991 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.246 -3.578 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.780 -2.472 0.290 1.00 0.00 H new ATOM 1304 N SER A 84 -2.530 -1.654 3.422 1.00 0.00 N ATOM 1305 CA SER A 84 -4.000 -1.853 3.402 1.00 0.00 C ATOM 1306 C SER A 84 -4.526 -0.884 2.317 1.00 0.00 C ATOM 1307 O SER A 84 -4.369 0.282 2.480 1.00 0.00 O ATOM 1308 CB SER A 84 -4.710 -1.576 4.704 1.00 0.00 C ATOM 1309 OG SER A 84 -6.083 -1.956 4.557 1.00 0.00 O ATOM 0 H SER A 84 -2.264 -0.709 3.699 1.00 0.00 H new ATOM 0 HA SER A 84 -4.201 -2.906 3.207 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.246 -2.136 5.516 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.634 -0.519 4.961 1.00 0.00 H new ATOM 0 HG SER A 84 -6.561 -1.785 5.395 1.00 0.00 H new ATOM 1315 N PHE A 85 -5.055 -1.439 1.304 1.00 0.00 N ATOM 1316 CA PHE A 85 -5.607 -0.643 0.150 1.00 0.00 C ATOM 1317 C PHE A 85 -6.549 0.379 0.724 1.00 0.00 C ATOM 1318 O PHE A 85 -6.894 0.361 1.899 1.00 0.00 O ATOM 1319 CB PHE A 85 -6.451 -1.565 -0.764 1.00 0.00 C ATOM 1320 CG PHE A 85 -5.606 -2.242 -1.791 1.00 0.00 C ATOM 1321 CD1 PHE A 85 -4.866 -3.404 -1.485 1.00 0.00 C ATOM 1322 CD2 PHE A 85 -5.515 -1.751 -3.091 1.00 0.00 C ATOM 1323 CE1 PHE A 85 -4.080 -4.035 -2.438 1.00 0.00 C ATOM 1324 CE2 PHE A 85 -4.734 -2.364 -4.067 1.00 0.00 C ATOM 1325 CZ PHE A 85 -4.007 -3.517 -3.748 1.00 0.00 C ATOM 0 H PHE A 85 -5.145 -2.449 1.195 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.791 -0.193 -0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.958 -2.315 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.225 -0.978 -1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.913 -3.811 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.071 -0.862 -3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -3.524 -4.923 -2.177 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.689 -1.952 -5.064 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.398 -4.004 -4.495 1.00 0.00 H new ATOM 1335 N ALA A 86 -7.041 1.279 -0.052 1.00 0.00 N ATOM 1336 CA ALA A 86 -7.980 2.254 0.516 1.00 0.00 C ATOM 1337 C ALA A 86 -9.221 1.459 0.984 1.00 0.00 C ATOM 1338 O ALA A 86 -10.056 2.129 1.574 1.00 0.00 O ATOM 1339 CB ALA A 86 -8.330 3.264 -0.557 1.00 0.00 C ATOM 0 H ALA A 86 -6.837 1.383 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.560 2.799 1.361 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.028 3.997 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.424 3.770 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.791 2.752 -1.402 1.00 0.00 H new ATOM 1345 N LYS A 87 -9.305 0.194 0.720 1.00 0.00 N ATOM 1346 CA LYS A 87 -10.444 -0.700 1.099 1.00 0.00 C ATOM 1347 C LYS A 87 -11.119 -0.087 2.311 1.00 0.00 C ATOM 1348 O LYS A 87 -10.765 -0.247 3.463 1.00 0.00 O ATOM 1349 CB LYS A 87 -9.987 -2.148 1.332 1.00 0.00 C ATOM 1350 CG LYS A 87 -10.957 -2.783 2.311 1.00 0.00 C ATOM 1351 CD LYS A 87 -10.903 -4.298 2.160 1.00 0.00 C ATOM 1352 CE LYS A 87 -11.763 -4.882 3.299 1.00 0.00 C ATOM 1353 NZ LYS A 87 -12.526 -6.065 2.789 1.00 0.00 N ATOM 0 H LYS A 87 -8.570 -0.301 0.215 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.162 -0.769 0.282 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.974 -2.701 0.393 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.972 -2.170 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.701 -2.498 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.969 -2.423 2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.287 -4.605 1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.876 -4.658 2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.128 -5.177 4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.452 -4.125 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.107 -6.460 3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.142 -5.769 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.860 -6.788 2.451 1.00 0.00 H new ATOM 1367 N LYS A 88 -12.136 0.684 1.978 1.00 0.00 N ATOM 1368 CA LYS A 88 -12.929 1.455 2.992 1.00 0.00 C ATOM 1369 C LYS A 88 -14.419 1.311 2.788 1.00 0.00 C ATOM 1370 O LYS A 88 -15.114 2.292 3.029 1.00 0.00 O ATOM 1371 CB LYS A 88 -12.519 2.933 2.774 1.00 0.00 C ATOM 1372 CG LYS A 88 -12.788 3.315 1.299 1.00 0.00 C ATOM 1373 CD LYS A 88 -13.049 4.815 1.271 1.00 0.00 C ATOM 1374 CE LYS A 88 -11.709 5.545 1.238 1.00 0.00 C ATOM 1375 NZ LYS A 88 -11.788 6.721 2.133 1.00 0.00 N ATOM 1376 OXT LYS A 88 -14.905 0.275 2.403 1.00 0.00 O ATOM 0 H LYS A 88 -12.455 0.812 1.018 1.00 0.00 H new ATOM 0 HA LYS A 88 -12.725 1.090 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.085 3.583 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -11.464 3.071 3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -11.934 3.060 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -13.645 2.767 0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -13.644 5.079 0.397 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -13.621 5.115 2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.908 4.879 1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -11.475 5.859 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.880 7.229 2.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -12.544 7.356 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.995 6.406 3.102 1.00 0.00 H new TER 1390 LYS A 88