USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 ASN : amide:sc= -3.99 K(o=-9.3,f=-10!) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -5.35! K(o=-9.3!,f=-10) USER MOD Set 2.1: A 19 HIS : no HD1:sc= -11.2! C(o=-12!,f=-11!) USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= -1.28 USER MOD Set 3.1: A 32 THR OG1 : rot -150:sc= -0.338 USER MOD Set 3.2: A 89 GLN : amide:sc= -5.38! C(o=-5.7!,f=-13!) USER MOD Set 4.1: A 10 MET CE :methyl -165:sc= -2.77 (180deg=-4.48) USER MOD Set 4.2: A 70 MET CE :methyl -120:sc= -1.84 (180deg=-3.75!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0803 (180deg=-0.338) USER MOD Single : A 2 THR OG1 : rot -22:sc= 1.66 USER MOD Single : A 4 ASN : amide:sc= 0.697 K(o=0.7,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 59:sc= -2.69! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.144 K(o=-0.14,f=-1.2) USER MOD Single : A 13 THR OG1 : rot 180:sc= -3.09! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.87 X(o=-1.9,f=-2.2) USER MOD Single : A 33 GLN : amide:sc= -4.41! C(o=-4.4!,f=-8.3!) USER MOD Single : A 36 SER OG : rot 180:sc=-0.000642 USER MOD Single : A 38 HIS : no HD1:sc= -1.69! K(o=-1.7!,f=-1.1) USER MOD Single : A 42 ASN : amide:sc= -3.52 K(o=-3.5,f=-9.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.14) USER MOD Single : A 49 SER OG : rot 180:sc= -1.39 USER MOD Single : A 53 SER OG : rot 24:sc= 0.0251 USER MOD Single : A 56 THR OG1 : rot -92:sc= -0.964 USER MOD Single : A 60 ASN : amide:sc= -0.278 K(o=-0.28,f=-5.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.307) USER MOD Single : A 84 GLN : amide:sc= 0.671 K(o=0.67,f=-1.6) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= -0.13 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 101:sc= 0.563 USER MOD Single : A 107 ASN : amide:sc= -0.534 K(o=-0.53,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.910 -4.163 -8.556 1.00 0.00 N ATOM 2 CA MET A 1 6.324 -5.294 -7.788 1.00 0.00 C ATOM 3 C MET A 1 4.875 -5.550 -8.195 1.00 0.00 C ATOM 4 O MET A 1 4.367 -6.660 -8.042 1.00 0.00 O ATOM 5 CB MET A 1 6.400 -4.961 -6.296 1.00 0.00 C ATOM 6 CG MET A 1 7.820 -4.910 -5.757 1.00 0.00 C ATOM 7 SD MET A 1 8.709 -6.460 -5.994 1.00 0.00 S ATOM 8 CE MET A 1 9.954 -5.958 -7.179 1.00 0.00 C ATOM 0 H1 MET A 1 7.935 -4.121 -8.384 1.00 0.00 H new ATOM 0 H2 MET A 1 6.735 -4.305 -9.571 1.00 0.00 H new ATOM 0 H3 MET A 1 6.471 -3.271 -8.250 1.00 0.00 H new ATOM 0 HA MET A 1 6.890 -6.201 -8.003 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.919 -3.998 -6.122 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.834 -5.706 -5.736 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.363 -4.105 -6.251 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.793 -4.670 -4.694 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.586 -6.811 -7.427 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.469 -5.591 -8.083 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.567 -5.166 -6.749 1.00 0.00 H new ATOM 20 N THR A 2 4.217 -4.517 -8.714 1.00 0.00 N ATOM 21 CA THR A 2 2.825 -4.629 -9.143 1.00 0.00 C ATOM 22 C THR A 2 1.916 -4.959 -7.963 1.00 0.00 C ATOM 23 O THR A 2 2.085 -5.984 -7.304 1.00 0.00 O ATOM 24 CB THR A 2 2.680 -5.699 -10.233 1.00 0.00 C ATOM 25 OG1 THR A 2 2.483 -6.982 -9.663 1.00 0.00 O ATOM 26 CG2 THR A 2 3.876 -5.788 -11.158 1.00 0.00 C ATOM 0 H THR A 2 4.625 -3.592 -8.848 1.00 0.00 H new ATOM 0 HA THR A 2 2.523 -3.666 -9.554 1.00 0.00 H new ATOM 0 HB THR A 2 1.813 -5.389 -10.817 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.824 -6.988 -8.744 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.703 -6.565 -11.903 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.020 -4.831 -11.659 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.766 -6.032 -10.579 1.00 0.00 H new ATOM 31 N LEU A 3 0.953 -4.081 -7.704 1.00 0.00 N ATOM 32 CA LEU A 3 0.014 -4.275 -6.603 1.00 0.00 C ATOM 33 C LEU A 3 -1.158 -5.147 -7.038 1.00 0.00 C ATOM 34 O LEU A 3 -1.779 -4.899 -8.071 1.00 0.00 O ATOM 35 CB LEU A 3 -0.491 -2.921 -6.095 1.00 0.00 C ATOM 36 CG LEU A 3 -1.672 -2.982 -5.121 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.691 -1.754 -4.224 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.986 -3.105 -5.879 1.00 0.00 C ATOM 0 H LEU A 3 0.801 -3.227 -8.241 1.00 0.00 H new ATOM 0 HA LEU A 3 0.535 -4.784 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.335 -2.405 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.781 -2.315 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.551 -3.865 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.537 -1.816 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.764 -1.707 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.785 -0.857 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.813 -3.147 -5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.112 -2.241 -6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.976 -4.015 -6.479 1.00 0.00 H new ATOM 44 N ASN A 4 -1.455 -6.170 -6.243 1.00 0.00 N ATOM 45 CA ASN A 4 -2.554 -7.078 -6.553 1.00 0.00 C ATOM 46 C ASN A 4 -3.782 -6.768 -5.700 1.00 0.00 C ATOM 47 O ASN A 4 -3.675 -6.213 -4.602 1.00 0.00 O ATOM 48 CB ASN A 4 -2.130 -8.531 -6.345 1.00 0.00 C ATOM 49 CG ASN A 4 -0.722 -8.806 -6.836 1.00 0.00 C ATOM 50 OD1 ASN A 4 -0.524 -9.275 -7.956 1.00 0.00 O ATOM 51 ND2 ASN A 4 0.265 -8.512 -5.997 1.00 0.00 N ATOM 0 H ASN A 4 -0.953 -6.391 -5.383 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.816 -6.933 -7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.195 -8.776 -5.285 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.827 -9.187 -6.867 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.234 -8.674 -6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.054 -8.124 -5.077 1.00 0.00 H new ATOM 56 N ILE A 5 -4.949 -7.132 -6.218 1.00 0.00 N ATOM 57 CA ILE A 5 -6.204 -6.897 -5.519 1.00 0.00 C ATOM 58 C ILE A 5 -7.049 -8.167 -5.475 1.00 0.00 C ATOM 59 O ILE A 5 -6.802 -9.111 -6.225 1.00 0.00 O ATOM 60 CB ILE A 5 -7.022 -5.772 -6.188 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.140 -4.572 -6.529 1.00 0.00 C ATOM 62 CG2 ILE A 5 -8.142 -5.329 -5.268 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.146 -4.811 -7.632 1.00 0.00 C ATOM 0 H ILE A 5 -5.051 -7.592 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.950 -6.593 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.439 -6.167 -7.114 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.781 -3.737 -6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.600 -4.270 -5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.714 -4.535 -5.748 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.798 -6.174 -5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.720 -4.959 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.566 -3.904 -7.802 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.475 -5.622 -7.348 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.675 -5.081 -8.546 1.00 0.00 H new ATOM 67 N THR A 6 -8.045 -8.192 -4.589 1.00 0.00 N ATOM 68 CA THR A 6 -8.913 -9.357 -4.455 1.00 0.00 C ATOM 69 C THR A 6 -10.372 -8.951 -4.251 1.00 0.00 C ATOM 70 O THR A 6 -11.226 -9.232 -5.091 1.00 0.00 O ATOM 71 CB THR A 6 -8.452 -10.229 -3.288 1.00 0.00 C ATOM 72 OG1 THR A 6 -7.093 -10.597 -3.443 1.00 0.00 O ATOM 73 CG2 THR A 6 -9.257 -11.501 -3.137 1.00 0.00 C ATOM 0 H THR A 6 -8.268 -7.422 -3.958 1.00 0.00 H new ATOM 0 HA THR A 6 -8.846 -9.925 -5.383 1.00 0.00 H new ATOM 0 HB THR A 6 -8.597 -9.618 -2.397 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.816 -11.154 -2.685 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.878 -12.073 -2.290 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.304 -11.251 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.170 -12.097 -4.046 1.00 0.00 H new ATOM 78 N SER A 7 -10.652 -8.299 -3.123 1.00 0.00 N ATOM 79 CA SER A 7 -12.011 -7.866 -2.795 1.00 0.00 C ATOM 80 C SER A 7 -12.974 -9.055 -2.818 1.00 0.00 C ATOM 81 O SER A 7 -13.330 -9.560 -3.882 1.00 0.00 O ATOM 82 CB SER A 7 -12.492 -6.781 -3.763 1.00 0.00 C ATOM 83 OG SER A 7 -11.688 -6.728 -4.930 1.00 0.00 O ATOM 0 H SER A 7 -9.954 -8.058 -2.419 1.00 0.00 H new ATOM 0 HA SER A 7 -11.994 -7.445 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.527 -6.975 -4.043 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.473 -5.812 -3.263 1.00 0.00 H new ATOM 0 HG SER A 7 -11.711 -7.597 -5.382 1.00 0.00 H new ATOM 89 N LYS A 8 -13.376 -9.506 -1.632 1.00 0.00 N ATOM 90 CA LYS A 8 -14.279 -10.648 -1.508 1.00 0.00 C ATOM 91 C LYS A 8 -15.621 -10.407 -2.200 1.00 0.00 C ATOM 92 O LYS A 8 -16.195 -11.326 -2.785 1.00 0.00 O ATOM 93 CB LYS A 8 -14.505 -10.983 -0.029 1.00 0.00 C ATOM 94 CG LYS A 8 -15.460 -10.035 0.678 1.00 0.00 C ATOM 95 CD LYS A 8 -15.164 -9.950 2.167 1.00 0.00 C ATOM 96 CE LYS A 8 -16.183 -10.730 2.983 1.00 0.00 C ATOM 97 NZ LYS A 8 -15.960 -10.572 4.447 1.00 0.00 N ATOM 0 H LYS A 8 -13.090 -9.098 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.803 -11.491 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.893 -11.999 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.545 -10.968 0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.384 -9.042 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.486 -10.373 0.529 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.165 -10.339 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.167 -8.906 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.187 -10.390 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.128 -11.786 2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.675 -11.119 4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.011 -10.919 4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.038 -9.567 4.704 1.00 0.00 H new ATOM 111 N GLN A 9 -16.126 -9.179 -2.126 1.00 0.00 N ATOM 112 CA GLN A 9 -17.410 -8.851 -2.744 1.00 0.00 C ATOM 113 C GLN A 9 -17.230 -7.919 -3.947 1.00 0.00 C ATOM 114 O GLN A 9 -16.903 -8.377 -5.041 1.00 0.00 O ATOM 115 CB GLN A 9 -18.367 -8.237 -1.714 1.00 0.00 C ATOM 116 CG GLN A 9 -17.683 -7.369 -0.671 1.00 0.00 C ATOM 117 CD GLN A 9 -18.590 -7.035 0.496 1.00 0.00 C ATOM 118 OE1 GLN A 9 -18.213 -7.196 1.657 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.795 -6.566 0.194 1.00 0.00 N ATOM 0 H GLN A 9 -15.672 -8.400 -1.649 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.850 -9.779 -3.110 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.112 -7.638 -2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.903 -9.040 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -16.796 -7.883 -0.301 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.344 -6.445 -1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -20.066 -6.448 -0.782 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.449 -6.324 0.938 1.00 0.00 H new ATOM 126 N MET A 10 -17.448 -6.614 -3.747 1.00 0.00 N ATOM 127 CA MET A 10 -17.311 -5.640 -4.827 1.00 0.00 C ATOM 128 C MET A 10 -16.039 -5.893 -5.631 1.00 0.00 C ATOM 129 O MET A 10 -14.929 -5.678 -5.144 1.00 0.00 O ATOM 130 CB MET A 10 -17.306 -4.218 -4.264 1.00 0.00 C ATOM 131 CG MET A 10 -16.046 -3.865 -3.492 1.00 0.00 C ATOM 132 SD MET A 10 -16.368 -2.830 -2.052 1.00 0.00 S ATOM 133 CE MET A 10 -14.717 -2.234 -1.695 1.00 0.00 C ATOM 0 H MET A 10 -17.719 -6.213 -2.849 1.00 0.00 H new ATOM 0 HA MET A 10 -18.165 -5.752 -5.495 1.00 0.00 H new ATOM 0 HB2 MET A 10 -17.426 -3.512 -5.086 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.168 -4.094 -3.609 1.00 0.00 H new ATOM 0 HG2 MET A 10 -15.555 -4.783 -3.170 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.353 -3.349 -4.156 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.694 -1.804 -0.694 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.011 -3.063 -1.751 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.440 -1.472 -2.423 1.00 0.00 H new ATOM 143 N ASP A 11 -16.209 -6.367 -6.856 1.00 0.00 N ATOM 144 CA ASP A 11 -15.075 -6.666 -7.718 1.00 0.00 C ATOM 145 C ASP A 11 -14.207 -5.432 -7.942 1.00 0.00 C ATOM 146 O ASP A 11 -14.453 -4.374 -7.363 1.00 0.00 O ATOM 147 CB ASP A 11 -15.558 -7.218 -9.060 1.00 0.00 C ATOM 148 CG ASP A 11 -16.582 -8.325 -8.894 1.00 0.00 C ATOM 149 OD1 ASP A 11 -16.225 -9.383 -8.335 1.00 0.00 O ATOM 150 OD2 ASP A 11 -17.739 -8.133 -9.323 1.00 0.00 O ATOM 0 H ASP A 11 -17.120 -6.553 -7.275 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.468 -7.421 -7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.993 -6.409 -9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.705 -7.597 -9.622 1.00 0.00 H new ATOM 155 N ILE A 12 -13.195 -5.577 -8.791 1.00 0.00 N ATOM 156 CA ILE A 12 -12.292 -4.471 -9.096 1.00 0.00 C ATOM 157 C ILE A 12 -12.711 -3.778 -10.387 1.00 0.00 C ATOM 158 O ILE A 12 -13.284 -4.397 -11.283 1.00 0.00 O ATOM 159 CB ILE A 12 -10.808 -4.916 -9.230 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.652 -6.427 -9.015 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.924 -4.151 -8.248 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.020 -6.884 -7.619 1.00 0.00 C ATOM 0 H ILE A 12 -12.979 -6.446 -9.279 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.363 -3.785 -8.252 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.488 -4.685 -10.246 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.276 -6.954 -9.737 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.619 -6.710 -9.220 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.890 -4.478 -8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.991 -3.083 -8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.259 -4.346 -7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.885 -7.963 -7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.379 -6.385 -6.892 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.061 -6.633 -7.417 1.00 0.00 H new ATOM 166 N THR A 13 -12.419 -2.490 -10.468 1.00 0.00 N ATOM 167 CA THR A 13 -12.753 -1.692 -11.636 1.00 0.00 C ATOM 168 C THR A 13 -11.705 -0.597 -11.832 1.00 0.00 C ATOM 169 O THR A 13 -10.813 -0.436 -10.999 1.00 0.00 O ATOM 170 CB THR A 13 -14.146 -1.080 -11.468 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.545 -1.106 -10.110 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.216 -1.793 -12.269 1.00 0.00 C ATOM 0 H THR A 13 -11.946 -1.970 -9.729 1.00 0.00 H new ATOM 0 HA THR A 13 -12.759 -2.330 -12.520 1.00 0.00 H new ATOM 0 HB THR A 13 -14.056 -0.058 -11.837 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.437 -0.709 -10.023 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.178 -1.308 -12.104 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.966 -1.751 -13.329 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.275 -2.834 -11.951 1.00 0.00 H new ATOM 177 N PRO A 14 -11.787 0.170 -12.935 1.00 0.00 N ATOM 178 CA PRO A 14 -10.830 1.240 -13.221 1.00 0.00 C ATOM 179 C PRO A 14 -10.453 2.057 -11.985 1.00 0.00 C ATOM 180 O PRO A 14 -9.278 2.161 -11.640 1.00 0.00 O ATOM 181 CB PRO A 14 -11.584 2.101 -14.229 1.00 0.00 C ATOM 182 CG PRO A 14 -12.430 1.131 -14.979 1.00 0.00 C ATOM 183 CD PRO A 14 -12.809 0.052 -13.996 1.00 0.00 C ATOM 0 HA PRO A 14 -9.878 0.852 -13.583 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.191 2.857 -13.731 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.899 2.629 -14.893 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.317 1.619 -15.382 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.885 0.712 -15.825 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.814 0.204 -13.603 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.794 -0.935 -14.459 1.00 0.00 H new ATOM 191 N ALA A 15 -11.452 2.637 -11.325 1.00 0.00 N ATOM 192 CA ALA A 15 -11.213 3.449 -10.132 1.00 0.00 C ATOM 193 C ALA A 15 -10.263 2.752 -9.161 1.00 0.00 C ATOM 194 O ALA A 15 -9.063 3.019 -9.168 1.00 0.00 O ATOM 195 CB ALA A 15 -12.529 3.784 -9.446 1.00 0.00 C ATOM 0 H ALA A 15 -12.433 2.561 -11.594 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.737 4.377 -10.450 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.334 4.388 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.166 4.342 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.031 2.862 -9.153 1.00 0.00 H new ATOM 201 N ILE A 16 -10.800 1.857 -8.328 1.00 0.00 N ATOM 202 CA ILE A 16 -9.983 1.126 -7.359 1.00 0.00 C ATOM 203 C ILE A 16 -8.679 0.662 -7.995 1.00 0.00 C ATOM 204 O ILE A 16 -7.600 1.073 -7.576 1.00 0.00 O ATOM 205 CB ILE A 16 -10.718 -0.100 -6.773 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.733 -0.672 -7.773 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.387 0.265 -5.456 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.123 -0.079 -7.668 1.00 0.00 C ATOM 0 H ILE A 16 -11.792 1.623 -8.306 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.776 1.821 -6.545 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.981 -0.879 -6.578 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.358 -0.510 -8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.800 -1.750 -7.627 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.901 -0.608 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.632 0.600 -4.745 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.108 1.065 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.773 -0.541 -8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.523 -0.264 -6.671 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.075 0.995 -7.846 1.00 0.00 H new ATOM 212 N ARG A 17 -8.786 -0.174 -9.027 1.00 0.00 N ATOM 213 CA ARG A 17 -7.605 -0.675 -9.735 1.00 0.00 C ATOM 214 C ARG A 17 -6.558 0.430 -9.867 1.00 0.00 C ATOM 215 O ARG A 17 -5.421 0.294 -9.406 1.00 0.00 O ATOM 216 CB ARG A 17 -7.998 -1.182 -11.124 1.00 0.00 C ATOM 217 CG ARG A 17 -6.910 -1.994 -11.811 1.00 0.00 C ATOM 218 CD ARG A 17 -7.492 -3.167 -12.586 1.00 0.00 C ATOM 219 NE ARG A 17 -6.783 -4.413 -12.306 1.00 0.00 N ATOM 220 CZ ARG A 17 -5.606 -4.734 -12.840 1.00 0.00 C ATOM 221 NH1 ARG A 17 -5.006 -3.903 -13.684 1.00 0.00 N ATOM 222 NH2 ARG A 17 -5.029 -5.886 -12.530 1.00 0.00 N ATOM 0 H ARG A 17 -9.674 -0.519 -9.392 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.181 -1.499 -9.161 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.895 -1.795 -11.037 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.254 -0.329 -11.753 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.349 -1.351 -12.489 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.205 -2.363 -11.066 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.545 -3.284 -12.330 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.445 -2.955 -13.654 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.215 -5.077 -11.663 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.447 -3.015 -13.925 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.105 -4.152 -14.091 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.486 -6.527 -11.882 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.128 -6.131 -12.939 1.00 0.00 H new ATOM 236 N GLU A 18 -6.968 1.537 -10.482 1.00 0.00 N ATOM 237 CA GLU A 18 -6.093 2.688 -10.668 1.00 0.00 C ATOM 238 C GLU A 18 -5.688 3.275 -9.318 1.00 0.00 C ATOM 239 O GLU A 18 -4.536 3.660 -9.117 1.00 0.00 O ATOM 240 CB GLU A 18 -6.795 3.755 -11.515 1.00 0.00 C ATOM 241 CG GLU A 18 -5.844 4.566 -12.380 1.00 0.00 C ATOM 242 CD GLU A 18 -5.738 4.025 -13.792 1.00 0.00 C ATOM 243 OE1 GLU A 18 -6.783 3.644 -14.362 1.00 0.00 O ATOM 244 OE2 GLU A 18 -4.611 3.980 -14.328 1.00 0.00 O ATOM 0 H GLU A 18 -7.907 1.660 -10.861 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.194 2.358 -11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.533 3.272 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.339 4.431 -10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.184 5.601 -12.416 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.855 4.571 -11.921 1.00 0.00 H new ATOM 251 N HIS A 19 -6.641 3.323 -8.391 1.00 0.00 N ATOM 252 CA HIS A 19 -6.390 3.839 -7.056 1.00 0.00 C ATOM 253 C HIS A 19 -5.340 2.979 -6.366 1.00 0.00 C ATOM 254 O HIS A 19 -4.215 3.416 -6.134 1.00 0.00 O ATOM 255 CB HIS A 19 -7.691 3.832 -6.259 1.00 0.00 C ATOM 256 CG HIS A 19 -7.721 4.786 -5.119 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.128 6.029 -5.138 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.309 4.665 -3.921 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.356 6.635 -3.985 1.00 0.00 C ATOM 260 NE2 HIS A 19 -8.073 5.825 -3.226 1.00 0.00 N ATOM 0 H HIS A 19 -7.599 3.008 -8.545 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.018 4.862 -7.119 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.516 4.064 -6.932 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.864 2.825 -5.878 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.867 3.811 -3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.015 7.622 -3.711 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.397 6.028 -2.280 1.00 0.00 H new ATOM 269 N LEU A 20 -5.720 1.741 -6.069 1.00 0.00 N ATOM 270 CA LEU A 20 -4.823 0.781 -5.435 1.00 0.00 C ATOM 271 C LEU A 20 -3.454 0.803 -6.115 1.00 0.00 C ATOM 272 O LEU A 20 -2.423 0.990 -5.461 1.00 0.00 O ATOM 273 CB LEU A 20 -5.431 -0.623 -5.500 1.00 0.00 C ATOM 274 CG LEU A 20 -6.945 -0.680 -5.253 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.493 -2.082 -5.446 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.276 -0.162 -3.865 1.00 0.00 C ATOM 0 H LEU A 20 -6.653 1.376 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.691 1.058 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.221 -1.050 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.933 -1.254 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.425 -0.037 -5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.567 -2.081 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.300 -2.411 -6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.006 -2.762 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.353 -0.209 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.772 -0.775 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.941 0.871 -3.773 1.00 0.00 H new ATOM 282 N GLU A 21 -3.453 0.640 -7.440 1.00 0.00 N ATOM 283 CA GLU A 21 -2.212 0.669 -8.205 1.00 0.00 C ATOM 284 C GLU A 21 -1.480 1.982 -7.957 1.00 0.00 C ATOM 285 O GLU A 21 -0.305 1.994 -7.582 1.00 0.00 O ATOM 286 CB GLU A 21 -2.497 0.500 -9.699 1.00 0.00 C ATOM 287 CG GLU A 21 -3.058 -0.865 -10.061 1.00 0.00 C ATOM 288 CD GLU A 21 -3.837 -0.848 -11.362 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.427 0.204 -11.687 1.00 0.00 O ATOM 290 OE2 GLU A 21 -3.857 -1.887 -12.056 1.00 0.00 O ATOM 0 H GLU A 21 -4.293 0.488 -7.999 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.582 -0.158 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.202 1.269 -10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.575 0.664 -10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.240 -1.581 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.707 -1.212 -9.257 1.00 0.00 H new ATOM 297 N GLU A 22 -2.193 3.091 -8.150 1.00 0.00 N ATOM 298 CA GLU A 22 -1.620 4.415 -7.928 1.00 0.00 C ATOM 299 C GLU A 22 -1.036 4.504 -6.523 1.00 0.00 C ATOM 300 O GLU A 22 0.053 5.045 -6.323 1.00 0.00 O ATOM 301 CB GLU A 22 -2.679 5.504 -8.125 1.00 0.00 C ATOM 302 CG GLU A 22 -2.147 6.912 -7.917 1.00 0.00 C ATOM 303 CD GLU A 22 -3.248 7.920 -7.647 1.00 0.00 C ATOM 304 OE1 GLU A 22 -3.831 7.880 -6.544 1.00 0.00 O ATOM 305 OE2 GLU A 22 -3.524 8.749 -8.539 1.00 0.00 O ATOM 0 H GLU A 22 -3.165 3.098 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.824 4.571 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.088 5.424 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.502 5.329 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.447 6.912 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.588 7.219 -8.801 1.00 0.00 H new ATOM 312 N ARG A 23 -1.761 3.949 -5.553 1.00 0.00 N ATOM 313 CA ARG A 23 -1.309 3.947 -4.170 1.00 0.00 C ATOM 314 C ARG A 23 0.022 3.216 -4.063 1.00 0.00 C ATOM 315 O ARG A 23 0.956 3.692 -3.417 1.00 0.00 O ATOM 316 CB ARG A 23 -2.348 3.286 -3.268 1.00 0.00 C ATOM 317 CG ARG A 23 -3.575 4.149 -3.024 1.00 0.00 C ATOM 318 CD ARG A 23 -3.201 5.558 -2.590 1.00 0.00 C ATOM 319 NE ARG A 23 -4.359 6.308 -2.111 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.275 7.430 -1.400 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.089 7.936 -1.083 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.379 8.049 -1.005 1.00 0.00 N ATOM 0 H ARG A 23 -2.663 3.496 -5.703 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.177 4.978 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.660 2.343 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.886 3.046 -2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.172 4.196 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.198 3.687 -2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.450 5.507 -1.801 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.748 6.087 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.288 5.951 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.236 7.465 -1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.031 8.796 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.293 7.665 -1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.314 8.909 -0.460 1.00 0.00 H new ATOM 336 N LEU A 24 0.108 2.062 -4.724 1.00 0.00 N ATOM 337 CA LEU A 24 1.339 1.280 -4.720 1.00 0.00 C ATOM 338 C LEU A 24 2.459 2.072 -5.381 1.00 0.00 C ATOM 339 O LEU A 24 3.529 2.263 -4.801 1.00 0.00 O ATOM 340 CB LEU A 24 1.137 -0.045 -5.456 1.00 0.00 C ATOM 341 CG LEU A 24 2.378 -0.936 -5.535 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.439 -1.872 -4.338 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.386 -1.728 -6.837 1.00 0.00 C ATOM 0 H LEU A 24 -0.654 1.652 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 24 1.610 1.066 -3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.340 -0.600 -4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.796 0.168 -6.469 1.00 0.00 H new ATOM 0 HG LEU A 24 3.262 -0.298 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.328 -2.498 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.482 -1.286 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.551 -2.503 -4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.276 -2.356 -6.875 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.496 -2.356 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.391 -1.039 -7.682 1.00 0.00 H new ATOM 349 N ALA A 25 2.196 2.546 -6.598 1.00 0.00 N ATOM 350 CA ALA A 25 3.171 3.335 -7.337 1.00 0.00 C ATOM 351 C ALA A 25 3.613 4.537 -6.513 1.00 0.00 C ATOM 352 O ALA A 25 4.760 4.974 -6.593 1.00 0.00 O ATOM 353 CB ALA A 25 2.588 3.787 -8.668 1.00 0.00 C ATOM 0 H ALA A 25 1.315 2.396 -7.090 1.00 0.00 H new ATOM 0 HA ALA A 25 4.043 2.712 -7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.329 4.376 -9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.315 2.914 -9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.702 4.395 -8.489 1.00 0.00 H new ATOM 359 N LYS A 26 2.690 5.056 -5.709 1.00 0.00 N ATOM 360 CA LYS A 26 2.978 6.196 -4.851 1.00 0.00 C ATOM 361 C LYS A 26 3.819 5.753 -3.661 1.00 0.00 C ATOM 362 O LYS A 26 4.722 6.467 -3.224 1.00 0.00 O ATOM 363 CB LYS A 26 1.677 6.840 -4.364 1.00 0.00 C ATOM 364 CG LYS A 26 1.857 8.246 -3.814 1.00 0.00 C ATOM 365 CD LYS A 26 2.221 8.226 -2.337 1.00 0.00 C ATOM 366 CE LYS A 26 2.405 9.633 -1.791 1.00 0.00 C ATOM 367 NZ LYS A 26 1.135 10.192 -1.252 1.00 0.00 N ATOM 0 H LYS A 26 1.736 4.703 -5.635 1.00 0.00 H new ATOM 0 HA LYS A 26 3.537 6.934 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.967 6.871 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.238 6.210 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.638 8.760 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.937 8.813 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.439 7.716 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.139 7.656 -2.195 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.159 9.621 -1.004 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.780 10.283 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.304 11.152 -0.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.423 10.228 -2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.789 9.587 -0.480 1.00 0.00 H new ATOM 381 N LEU A 27 3.522 4.563 -3.146 1.00 0.00 N ATOM 382 CA LEU A 27 4.259 4.018 -2.014 1.00 0.00 C ATOM 383 C LEU A 27 5.620 3.483 -2.456 1.00 0.00 C ATOM 384 O LEU A 27 6.476 3.182 -1.627 1.00 0.00 O ATOM 385 CB LEU A 27 3.454 2.911 -1.323 1.00 0.00 C ATOM 386 CG LEU A 27 2.830 3.306 0.021 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.221 2.091 0.702 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.866 3.964 0.924 1.00 0.00 C ATOM 0 H LEU A 27 2.777 3.960 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 27 4.421 4.826 -1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.659 2.588 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.107 2.052 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 27 2.036 4.029 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.783 2.389 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.447 1.666 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.996 1.345 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.402 4.236 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.684 3.267 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.254 4.860 0.440 1.00 0.00 H new ATOM 394 N GLY A 28 5.820 3.370 -3.769 1.00 0.00 N ATOM 395 CA GLY A 28 7.086 2.880 -4.281 1.00 0.00 C ATOM 396 C GLY A 28 8.248 3.768 -3.878 1.00 0.00 C ATOM 397 O GLY A 28 9.342 3.282 -3.593 1.00 0.00 O ATOM 0 H GLY A 28 5.130 3.608 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.258 1.869 -3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.037 2.819 -5.368 1.00 0.00 H new ATOM 401 N LYS A 29 8.003 5.075 -3.849 1.00 0.00 N ATOM 402 CA LYS A 29 9.029 6.043 -3.472 1.00 0.00 C ATOM 403 C LYS A 29 9.572 5.743 -2.075 1.00 0.00 C ATOM 404 O LYS A 29 10.711 6.083 -1.754 1.00 0.00 O ATOM 405 CB LYS A 29 8.450 7.461 -3.518 1.00 0.00 C ATOM 406 CG LYS A 29 9.391 8.534 -2.988 1.00 0.00 C ATOM 407 CD LYS A 29 8.626 9.766 -2.527 1.00 0.00 C ATOM 408 CE LYS A 29 8.592 9.867 -1.010 1.00 0.00 C ATOM 409 NZ LYS A 29 8.671 11.279 -0.547 1.00 0.00 N ATOM 0 H LYS A 29 7.101 5.489 -4.083 1.00 0.00 H new ATOM 0 HA LYS A 29 9.852 5.968 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.186 7.701 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.527 7.484 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.972 8.133 -2.157 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.100 8.815 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.091 10.660 -2.942 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.607 9.728 -2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.674 9.413 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.422 9.300 -0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.645 11.306 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.559 11.705 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.865 11.815 -0.927 1.00 0.00 H new ATOM 423 N TRP A 30 8.745 5.110 -1.252 1.00 0.00 N ATOM 424 CA TRP A 30 9.127 4.764 0.105 1.00 0.00 C ATOM 425 C TRP A 30 10.183 3.672 0.112 1.00 0.00 C ATOM 426 O TRP A 30 9.866 2.506 -0.105 1.00 0.00 O ATOM 427 CB TRP A 30 7.903 4.311 0.888 1.00 0.00 C ATOM 428 CG TRP A 30 6.999 5.438 1.273 1.00 0.00 C ATOM 429 CD1 TRP A 30 6.084 6.075 0.486 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.939 6.068 2.548 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.450 7.062 1.207 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.962 7.077 2.478 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.619 5.869 3.744 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.653 7.886 3.570 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.315 6.671 4.822 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.340 7.669 4.731 1.00 0.00 C ATOM 0 H TRP A 30 7.799 4.825 -1.507 1.00 0.00 H new ATOM 0 HA TRP A 30 9.551 5.650 0.578 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.343 3.593 0.290 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.228 3.791 1.789 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.886 5.840 -0.549 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.720 7.680 0.853 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.372 5.099 3.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.899 8.656 3.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.840 6.526 5.755 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.126 8.280 5.595 1.00 0.00 H new ATOM 447 N GLN A 31 11.439 4.070 0.350 1.00 0.00 N ATOM 448 CA GLN A 31 12.582 3.148 0.381 1.00 0.00 C ATOM 449 C GLN A 31 12.192 1.751 0.865 1.00 0.00 C ATOM 450 O GLN A 31 12.546 1.339 1.969 1.00 0.00 O ATOM 451 CB GLN A 31 13.698 3.709 1.271 1.00 0.00 C ATOM 452 CG GLN A 31 13.225 4.193 2.634 1.00 0.00 C ATOM 453 CD GLN A 31 12.655 5.597 2.587 1.00 0.00 C ATOM 454 OE1 GLN A 31 11.561 5.853 3.089 1.00 0.00 O ATOM 455 NE2 GLN A 31 13.396 6.517 1.981 1.00 0.00 N ATOM 0 H GLN A 31 11.692 5.042 0.527 1.00 0.00 H new ATOM 0 HA GLN A 31 12.940 3.055 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.455 2.938 1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.180 4.537 0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.467 3.509 3.015 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.059 4.167 3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.298 6.261 1.578 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.064 7.479 1.918 1.00 0.00 H new ATOM 462 N THR A 32 11.454 1.036 0.024 1.00 0.00 N ATOM 463 CA THR A 32 10.999 -0.302 0.338 1.00 0.00 C ATOM 464 C THR A 32 10.772 -1.087 -0.953 1.00 0.00 C ATOM 465 O THR A 32 10.689 -0.509 -2.037 1.00 0.00 O ATOM 466 CB THR A 32 9.711 -0.226 1.166 1.00 0.00 C ATOM 467 OG1 THR A 32 10.009 0.105 2.514 1.00 0.00 O ATOM 468 CG2 THR A 32 8.903 -1.507 1.173 1.00 0.00 C ATOM 0 H THR A 32 11.157 1.372 -0.892 1.00 0.00 H new ATOM 0 HA THR A 32 11.758 -0.820 0.925 1.00 0.00 H new ATOM 0 HB THR A 32 9.110 0.545 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.336 -0.293 3.105 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.009 -1.370 1.781 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.613 -1.760 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.505 -2.314 1.590 1.00 0.00 H new ATOM 473 N GLN A 33 10.661 -2.398 -0.823 1.00 0.00 N ATOM 474 CA GLN A 33 10.428 -3.271 -1.959 1.00 0.00 C ATOM 475 C GLN A 33 9.273 -4.193 -1.642 1.00 0.00 C ATOM 476 O GLN A 33 9.446 -5.231 -1.003 1.00 0.00 O ATOM 477 CB GLN A 33 11.672 -4.087 -2.295 1.00 0.00 C ATOM 478 CG GLN A 33 12.513 -4.453 -1.083 1.00 0.00 C ATOM 479 CD GLN A 33 13.491 -3.354 -0.709 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.278 -2.186 -1.032 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.572 -3.719 -0.026 1.00 0.00 N ATOM 0 H GLN A 33 10.730 -2.885 0.070 1.00 0.00 H new ATOM 0 HA GLN A 33 10.189 -2.659 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.368 -5.002 -2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.287 -3.522 -2.995 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.857 -4.657 -0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.063 -5.371 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.712 -4.698 0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.261 -3.020 0.249 1.00 0.00 H new ATOM 488 N LEU A 34 8.093 -3.789 -2.065 1.00 0.00 N ATOM 489 CA LEU A 34 6.891 -4.554 -1.803 1.00 0.00 C ATOM 490 C LEU A 34 7.052 -6.010 -2.227 1.00 0.00 C ATOM 491 O LEU A 34 6.796 -6.370 -3.377 1.00 0.00 O ATOM 492 CB LEU A 34 5.693 -3.916 -2.508 1.00 0.00 C ATOM 493 CG LEU A 34 5.559 -2.393 -2.346 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.208 -1.913 -1.051 1.00 0.00 C ATOM 495 CD2 LEU A 34 6.165 -1.676 -3.542 1.00 0.00 C ATOM 0 H LEU A 34 7.940 -2.931 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 34 6.713 -4.543 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.756 -4.146 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.783 -4.384 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 34 4.497 -2.155 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.096 -0.832 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.725 -2.395 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.268 -2.168 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.062 -0.599 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.221 -1.932 -3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.647 -1.982 -4.451 1.00 0.00 H new ATOM 501 N ILE A 35 7.479 -6.841 -1.283 1.00 0.00 N ATOM 502 CA ILE A 35 7.681 -8.261 -1.533 1.00 0.00 C ATOM 503 C ILE A 35 6.400 -8.921 -2.040 1.00 0.00 C ATOM 504 O ILE A 35 6.445 -9.838 -2.859 1.00 0.00 O ATOM 505 CB ILE A 35 8.175 -8.970 -0.257 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.594 -8.490 0.071 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.138 -10.485 -0.431 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.288 -9.319 1.123 1.00 0.00 C ATOM 0 H ILE A 35 7.693 -6.551 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 35 8.442 -8.357 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 35 7.514 -8.719 0.572 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.192 -8.502 -0.841 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.549 -7.455 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.491 -10.965 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.116 -10.803 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.781 -10.771 -1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.286 -8.919 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.713 -9.287 2.049 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.367 -10.351 0.780 1.00 0.00 H new ATOM 512 N SER A 36 5.262 -8.440 -1.553 1.00 0.00 N ATOM 513 CA SER A 36 3.967 -8.974 -1.961 1.00 0.00 C ATOM 514 C SER A 36 2.850 -8.019 -1.567 1.00 0.00 C ATOM 515 O SER A 36 2.288 -8.104 -0.475 1.00 0.00 O ATOM 516 CB SER A 36 3.734 -10.355 -1.346 1.00 0.00 C ATOM 517 OG SER A 36 2.362 -10.706 -1.381 1.00 0.00 O ATOM 0 H SER A 36 5.209 -7.680 -0.874 1.00 0.00 H new ATOM 0 HA SER A 36 3.966 -9.079 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.317 -11.100 -1.887 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.088 -10.361 -0.315 1.00 0.00 H new ATOM 0 HG SER A 36 2.241 -11.593 -0.983 1.00 0.00 H new ATOM 523 N PRO A 37 2.541 -7.079 -2.465 1.00 0.00 N ATOM 524 CA PRO A 37 1.515 -6.064 -2.254 1.00 0.00 C ATOM 525 C PRO A 37 0.124 -6.490 -2.715 1.00 0.00 C ATOM 526 O PRO A 37 -0.120 -6.676 -3.909 1.00 0.00 O ATOM 527 CB PRO A 37 2.030 -4.920 -3.118 1.00 0.00 C ATOM 528 CG PRO A 37 2.705 -5.596 -4.269 1.00 0.00 C ATOM 529 CD PRO A 37 3.203 -6.920 -3.769 1.00 0.00 C ATOM 0 HA PRO A 37 1.380 -5.831 -1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.215 -4.280 -3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.725 -4.287 -2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.010 -5.733 -5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.530 -4.990 -4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.941 -7.729 -4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.288 -6.927 -3.669 1.00 0.00 H new ATOM 537 N HIS A 38 -0.792 -6.612 -1.760 1.00 0.00 N ATOM 538 CA HIS A 38 -2.171 -6.983 -2.056 1.00 0.00 C ATOM 539 C HIS A 38 -3.122 -5.932 -1.524 1.00 0.00 C ATOM 540 O HIS A 38 -2.723 -5.030 -0.787 1.00 0.00 O ATOM 541 CB HIS A 38 -2.531 -8.328 -1.431 1.00 0.00 C ATOM 542 CG HIS A 38 -2.698 -9.436 -2.419 1.00 0.00 C ATOM 543 ND1 HIS A 38 -1.922 -10.572 -2.407 1.00 0.00 N ATOM 544 CD2 HIS A 38 -3.572 -9.588 -3.440 1.00 0.00 C ATOM 545 CE1 HIS A 38 -2.312 -11.379 -3.377 1.00 0.00 C ATOM 546 NE2 HIS A 38 -3.312 -10.805 -4.019 1.00 0.00 N ATOM 0 H HIS A 38 -0.603 -6.458 -0.770 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.263 -7.059 -3.140 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.754 -8.605 -0.719 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.456 -8.217 -0.866 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.332 -8.883 -3.743 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.885 -12.344 -3.606 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.811 -11.201 -4.816 1.00 0.00 H new ATOM 555 N PHE A 39 -4.385 -6.067 -1.882 1.00 0.00 N ATOM 556 CA PHE A 39 -5.398 -5.138 -1.420 1.00 0.00 C ATOM 557 C PHE A 39 -6.768 -5.802 -1.322 1.00 0.00 C ATOM 558 O PHE A 39 -7.492 -5.910 -2.308 1.00 0.00 O ATOM 559 CB PHE A 39 -5.459 -3.914 -2.327 1.00 0.00 C ATOM 560 CG PHE A 39 -4.854 -2.686 -1.707 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.479 -2.519 -1.658 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.664 -1.700 -1.168 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.924 -1.391 -1.083 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.117 -0.571 -0.590 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.745 -0.416 -0.548 1.00 0.00 C ATOM 0 H PHE A 39 -4.733 -6.809 -2.490 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.115 -4.816 -0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.940 -4.135 -3.260 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.499 -3.710 -2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.834 -3.279 -2.074 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.737 -1.816 -1.200 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.851 -1.272 -1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.761 0.189 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.314 0.466 -0.098 1.00 0.00 H new ATOM 575 N VAL A 40 -7.123 -6.230 -0.116 1.00 0.00 N ATOM 576 CA VAL A 40 -8.402 -6.864 0.125 1.00 0.00 C ATOM 577 C VAL A 40 -9.442 -5.806 0.488 1.00 0.00 C ATOM 578 O VAL A 40 -9.619 -5.463 1.658 1.00 0.00 O ATOM 579 CB VAL A 40 -8.289 -7.902 1.255 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.645 -8.498 1.572 1.00 0.00 C ATOM 581 CG2 VAL A 40 -7.292 -8.990 0.878 1.00 0.00 C ATOM 0 H VAL A 40 -6.534 -6.146 0.712 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.713 -7.379 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.925 -7.400 2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.543 -9.229 2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.325 -7.707 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.044 -8.987 0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.223 -9.717 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.626 -9.490 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.313 -8.543 0.708 1.00 0.00 H new ATOM 585 N LEU A 41 -10.106 -5.279 -0.534 1.00 0.00 N ATOM 586 CA LEU A 41 -11.112 -4.237 -0.351 1.00 0.00 C ATOM 587 C LEU A 41 -12.526 -4.797 -0.356 1.00 0.00 C ATOM 588 O LEU A 41 -12.841 -5.707 -1.118 1.00 0.00 O ATOM 589 CB LEU A 41 -10.987 -3.180 -1.450 1.00 0.00 C ATOM 590 CG LEU A 41 -11.365 -3.631 -2.861 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.708 -2.429 -3.725 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.235 -4.422 -3.496 1.00 0.00 C ATOM 0 H LEU A 41 -9.965 -5.558 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.929 -3.787 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.614 -2.330 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.957 -2.823 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.240 -4.277 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.975 -2.765 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.550 -1.893 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.846 -1.765 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.527 -4.732 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.343 -3.799 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.023 -5.304 -2.891 1.00 0.00 H new ATOM 598 N ASN A 42 -13.384 -4.232 0.486 1.00 0.00 N ATOM 599 CA ASN A 42 -14.768 -4.674 0.550 1.00 0.00 C ATOM 600 C ASN A 42 -15.707 -3.548 0.961 1.00 0.00 C ATOM 601 O ASN A 42 -15.279 -2.488 1.419 1.00 0.00 O ATOM 602 CB ASN A 42 -14.926 -5.851 1.514 1.00 0.00 C ATOM 603 CG ASN A 42 -13.851 -6.900 1.328 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.757 -7.531 0.276 1.00 0.00 O ATOM 605 ND2 ASN A 42 -13.033 -7.091 2.353 1.00 0.00 N ATOM 0 H ASN A 42 -13.147 -3.475 1.127 1.00 0.00 H new ATOM 0 HA ASN A 42 -15.040 -4.996 -0.455 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.897 -5.483 2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.905 -6.308 1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.288 -7.785 2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.148 -6.544 3.206 1.00 0.00 H new ATOM 610 N LYS A 43 -16.997 -3.801 0.798 1.00 0.00 N ATOM 611 CA LYS A 43 -18.027 -2.834 1.151 1.00 0.00 C ATOM 612 C LYS A 43 -18.986 -3.442 2.161 1.00 0.00 C ATOM 613 O LYS A 43 -18.995 -4.653 2.374 1.00 0.00 O ATOM 614 CB LYS A 43 -18.819 -2.407 -0.096 1.00 0.00 C ATOM 615 CG LYS A 43 -20.311 -2.178 0.166 1.00 0.00 C ATOM 616 CD LYS A 43 -21.056 -1.801 -1.105 1.00 0.00 C ATOM 617 CE LYS A 43 -22.284 -0.959 -0.802 1.00 0.00 C ATOM 618 NZ LYS A 43 -23.519 -1.788 -0.716 1.00 0.00 N ATOM 0 H LYS A 43 -17.358 -4.677 0.420 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.539 -1.960 1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.385 -1.490 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.708 -3.172 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.749 -3.082 0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.433 -1.388 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.390 -1.249 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.355 -2.706 -1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.137 -0.428 0.139 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.407 -0.204 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -24.334 -1.176 -0.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.674 -2.275 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.412 -2.492 0.042 1.00 0.00 H new ATOM 632 N VAL A 44 -19.814 -2.596 2.749 1.00 0.00 N ATOM 633 CA VAL A 44 -20.803 -3.047 3.700 1.00 0.00 C ATOM 634 C VAL A 44 -21.832 -1.955 3.989 1.00 0.00 C ATOM 635 O VAL A 44 -21.581 -0.772 3.762 1.00 0.00 O ATOM 636 CB VAL A 44 -20.160 -3.504 5.012 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.821 -4.987 4.958 1.00 0.00 C ATOM 638 CG2 VAL A 44 -18.923 -2.682 5.352 1.00 0.00 C ATOM 0 H VAL A 44 -19.817 -1.590 2.581 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.308 -3.900 3.246 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.889 -3.342 5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.365 -5.291 5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.732 -5.563 4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -19.123 -5.171 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.496 -3.038 6.290 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.186 -2.787 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.200 -1.633 5.454 1.00 0.00 H new ATOM 642 N PRO A 45 -23.017 -2.340 4.490 1.00 0.00 N ATOM 643 CA PRO A 45 -24.091 -1.389 4.801 1.00 0.00 C ATOM 644 C PRO A 45 -23.619 -0.233 5.677 1.00 0.00 C ATOM 645 O PRO A 45 -23.999 0.917 5.460 1.00 0.00 O ATOM 646 CB PRO A 45 -25.113 -2.243 5.553 1.00 0.00 C ATOM 647 CG PRO A 45 -24.882 -3.630 5.061 1.00 0.00 C ATOM 648 CD PRO A 45 -23.407 -3.732 4.786 1.00 0.00 C ATOM 0 HA PRO A 45 -24.484 -0.916 3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -24.968 -2.176 6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.132 -1.914 5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.192 -4.364 5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.462 -3.826 4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.865 -4.127 5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.200 -4.395 3.946 1.00 0.00 H new ATOM 656 N ASN A 46 -22.798 -0.549 6.671 1.00 0.00 N ATOM 657 CA ASN A 46 -22.281 0.461 7.589 1.00 0.00 C ATOM 658 C ASN A 46 -21.102 1.230 6.989 1.00 0.00 C ATOM 659 O ASN A 46 -20.515 2.084 7.653 1.00 0.00 O ATOM 660 CB ASN A 46 -21.856 -0.192 8.906 1.00 0.00 C ATOM 661 CG ASN A 46 -20.742 -1.204 8.717 1.00 0.00 C ATOM 662 OD1 ASN A 46 -20.983 -2.410 8.681 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.512 -0.716 8.598 1.00 0.00 N ATOM 0 H ASN A 46 -22.475 -1.497 6.863 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.084 1.174 7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.527 0.580 9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -22.717 -0.684 9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.722 -1.349 8.471 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.357 0.292 8.634 1.00 0.00 H new ATOM 668 N GLY A 47 -20.750 0.924 5.743 1.00 0.00 N ATOM 669 CA GLY A 47 -19.646 1.596 5.106 1.00 0.00 C ATOM 670 C GLY A 47 -18.833 0.658 4.248 1.00 0.00 C ATOM 671 O GLY A 47 -19.287 -0.420 3.878 1.00 0.00 O ATOM 0 H GLY A 47 -21.214 0.221 5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.024 2.413 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.004 2.040 5.867 1.00 0.00 H new ATOM 675 N PHE A 48 -17.627 1.072 3.942 1.00 0.00 N ATOM 676 CA PHE A 48 -16.721 0.280 3.131 1.00 0.00 C ATOM 677 C PHE A 48 -15.606 -0.292 3.988 1.00 0.00 C ATOM 678 O PHE A 48 -14.845 0.459 4.605 1.00 0.00 O ATOM 679 CB PHE A 48 -16.105 1.128 2.019 1.00 0.00 C ATOM 680 CG PHE A 48 -16.975 1.314 0.811 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.881 2.359 0.740 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.865 0.454 -0.266 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.663 2.539 -0.384 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.645 0.624 -1.390 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.544 1.667 -1.451 1.00 0.00 C ATOM 0 H PHE A 48 -17.242 1.966 4.246 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.297 -0.532 2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.857 2.109 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.168 0.666 1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -17.977 3.040 1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.159 -0.362 -0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.365 3.358 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.552 -0.059 -2.221 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.155 1.803 -2.331 1.00 0.00 H new ATOM 695 N SER A 49 -15.489 -1.615 3.998 1.00 0.00 N ATOM 696 CA SER A 49 -14.436 -2.270 4.747 1.00 0.00 C ATOM 697 C SER A 49 -13.307 -2.595 3.798 1.00 0.00 C ATOM 698 O SER A 49 -13.493 -3.280 2.796 1.00 0.00 O ATOM 699 CB SER A 49 -14.920 -3.535 5.438 1.00 0.00 C ATOM 700 OG SER A 49 -16.291 -3.777 5.176 1.00 0.00 O ATOM 0 H SER A 49 -16.111 -2.249 3.496 1.00 0.00 H new ATOM 0 HA SER A 49 -14.098 -1.594 5.532 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.328 -4.385 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.764 -3.446 6.513 1.00 0.00 H new ATOM 0 HG SER A 49 -16.571 -4.598 5.632 1.00 0.00 H new ATOM 706 N VAL A 50 -12.151 -2.068 4.103 1.00 0.00 N ATOM 707 CA VAL A 50 -10.986 -2.258 3.258 1.00 0.00 C ATOM 708 C VAL A 50 -9.774 -2.714 4.062 1.00 0.00 C ATOM 709 O VAL A 50 -9.611 -2.335 5.220 1.00 0.00 O ATOM 710 CB VAL A 50 -10.658 -0.947 2.522 1.00 0.00 C ATOM 711 CG1 VAL A 50 -10.249 0.134 3.511 1.00 0.00 C ATOM 712 CG2 VAL A 50 -9.581 -1.165 1.471 1.00 0.00 C ATOM 0 H VAL A 50 -11.983 -1.500 4.933 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.221 -3.040 2.536 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.558 -0.612 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.021 1.053 2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.066 0.316 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.367 -0.192 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.369 -0.222 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.674 -1.532 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.927 -1.897 0.742 1.00 0.00 H new ATOM 716 N GLU A 51 -8.929 -3.526 3.436 1.00 0.00 N ATOM 717 CA GLU A 51 -7.725 -4.033 4.086 1.00 0.00 C ATOM 718 C GLU A 51 -6.630 -4.285 3.056 1.00 0.00 C ATOM 719 O GLU A 51 -6.876 -4.872 2.003 1.00 0.00 O ATOM 720 CB GLU A 51 -8.043 -5.316 4.861 1.00 0.00 C ATOM 721 CG GLU A 51 -6.817 -6.122 5.276 1.00 0.00 C ATOM 722 CD GLU A 51 -6.787 -6.415 6.763 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.869 -6.635 7.348 1.00 0.00 O ATOM 724 OE2 GLU A 51 -5.681 -6.424 7.344 1.00 0.00 O ATOM 0 H GLU A 51 -9.056 -3.848 2.477 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.365 -3.283 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.610 -5.055 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.686 -5.946 4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.801 -7.062 4.724 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.916 -5.574 4.999 1.00 0.00 H new ATOM 731 N ALA A 52 -5.421 -3.836 3.368 1.00 0.00 N ATOM 732 CA ALA A 52 -4.286 -4.008 2.470 1.00 0.00 C ATOM 733 C ALA A 52 -3.211 -4.880 3.110 1.00 0.00 C ATOM 734 O ALA A 52 -3.147 -5.004 4.334 1.00 0.00 O ATOM 735 CB ALA A 52 -3.710 -2.655 2.081 1.00 0.00 C ATOM 0 H ALA A 52 -5.201 -3.349 4.237 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.638 -4.511 1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.863 -2.799 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.476 -2.065 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.378 -2.130 2.977 1.00 0.00 H new ATOM 741 N SER A 53 -2.368 -5.481 2.276 1.00 0.00 N ATOM 742 CA SER A 53 -1.297 -6.340 2.766 1.00 0.00 C ATOM 743 C SER A 53 -0.096 -6.317 1.825 1.00 0.00 C ATOM 744 O SER A 53 -0.141 -6.875 0.729 1.00 0.00 O ATOM 745 CB SER A 53 -1.800 -7.774 2.932 1.00 0.00 C ATOM 746 OG SER A 53 -2.158 -8.337 1.682 1.00 0.00 O ATOM 0 H SER A 53 -2.406 -5.389 1.261 1.00 0.00 H new ATOM 0 HA SER A 53 -0.979 -5.957 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.026 -8.382 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.662 -7.785 3.600 1.00 0.00 H new ATOM 0 HG SER A 53 -1.673 -7.877 0.965 1.00 0.00 H new ATOM 752 N ILE A 54 0.978 -5.673 2.267 1.00 0.00 N ATOM 753 CA ILE A 54 2.197 -5.579 1.473 1.00 0.00 C ATOM 754 C ILE A 54 3.393 -6.120 2.250 1.00 0.00 C ATOM 755 O ILE A 54 3.511 -5.894 3.452 1.00 0.00 O ATOM 756 CB ILE A 54 2.489 -4.124 1.055 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.229 -3.476 0.474 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.631 -4.087 0.050 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.462 -2.099 -0.112 1.00 0.00 C ATOM 0 H ILE A 54 1.029 -5.207 3.173 1.00 0.00 H new ATOM 0 HA ILE A 54 2.040 -6.179 0.577 1.00 0.00 H new ATOM 0 HB ILE A 54 2.789 -3.556 1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.822 -4.126 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.475 -3.404 1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.829 -3.055 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.526 -4.516 0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.357 -4.664 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.523 -1.706 -0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.839 -1.432 0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.192 -2.166 -0.919 1.00 0.00 H new ATOM 763 N GLY A 55 4.280 -6.828 1.561 1.00 0.00 N ATOM 764 CA GLY A 55 5.448 -7.375 2.207 1.00 0.00 C ATOM 765 C GLY A 55 6.653 -6.494 2.038 1.00 0.00 C ATOM 766 O GLY A 55 6.833 -5.848 1.007 1.00 0.00 O ATOM 0 H GLY A 55 4.207 -7.031 0.564 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.244 -7.510 3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.660 -8.362 1.795 1.00 0.00 H new ATOM 770 N THR A 56 7.475 -6.475 3.061 1.00 0.00 N ATOM 771 CA THR A 56 8.691 -5.673 3.055 1.00 0.00 C ATOM 772 C THR A 56 9.849 -6.438 3.688 1.00 0.00 C ATOM 773 O THR A 56 9.683 -7.050 4.743 1.00 0.00 O ATOM 774 CB THR A 56 8.494 -4.350 3.807 1.00 0.00 C ATOM 775 OG1 THR A 56 9.225 -4.352 5.032 1.00 0.00 O ATOM 776 CG2 THR A 56 7.044 -4.033 4.118 1.00 0.00 C ATOM 0 H THR A 56 7.328 -7.008 3.918 1.00 0.00 H new ATOM 0 HA THR A 56 8.925 -5.455 2.013 1.00 0.00 H new ATOM 0 HB THR A 56 8.865 -3.579 3.131 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.649 -4.673 5.756 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.985 -3.083 4.650 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.479 -3.964 3.188 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.624 -4.824 4.740 1.00 0.00 H new ATOM 781 N PRO A 57 11.050 -6.400 3.084 1.00 0.00 N ATOM 782 CA PRO A 57 12.214 -7.080 3.652 1.00 0.00 C ATOM 783 C PRO A 57 12.432 -6.686 5.111 1.00 0.00 C ATOM 784 O PRO A 57 13.096 -7.397 5.865 1.00 0.00 O ATOM 785 CB PRO A 57 13.382 -6.586 2.798 1.00 0.00 C ATOM 786 CG PRO A 57 12.768 -6.153 1.513 1.00 0.00 C ATOM 787 CD PRO A 57 11.378 -5.685 1.835 1.00 0.00 C ATOM 0 HA PRO A 57 12.099 -8.164 3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.904 -5.761 3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.115 -7.377 2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.350 -5.352 1.056 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.744 -6.976 0.799 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.340 -4.604 1.970 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.678 -5.931 1.037 1.00 0.00 H new ATOM 795 N LEU A 58 11.869 -5.539 5.502 1.00 0.00 N ATOM 796 CA LEU A 58 12.005 -5.049 6.869 1.00 0.00 C ATOM 797 C LEU A 58 10.880 -5.583 7.754 1.00 0.00 C ATOM 798 O LEU A 58 10.959 -5.526 8.981 1.00 0.00 O ATOM 799 CB LEU A 58 12.011 -3.519 6.879 1.00 0.00 C ATOM 800 CG LEU A 58 13.382 -2.876 6.644 1.00 0.00 C ATOM 801 CD1 LEU A 58 13.548 -2.476 5.183 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.569 -1.669 7.550 1.00 0.00 C ATOM 0 H LEU A 58 11.317 -4.937 4.891 1.00 0.00 H new ATOM 0 HA LEU A 58 12.952 -5.409 7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.323 -3.163 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.625 -3.175 7.839 1.00 0.00 H new ATOM 0 HG LEU A 58 14.148 -3.612 6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.528 -2.022 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.462 -3.360 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.773 -1.759 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.548 -1.226 7.368 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.793 -0.933 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.500 -1.982 8.592 1.00 0.00 H new ATOM 808 N GLY A 59 9.837 -6.110 7.118 1.00 0.00 N ATOM 809 CA GLY A 59 8.710 -6.656 7.848 1.00 0.00 C ATOM 810 C GLY A 59 7.412 -6.510 7.087 1.00 0.00 C ATOM 811 O GLY A 59 7.102 -5.432 6.583 1.00 0.00 O ATOM 0 H GLY A 59 9.754 -6.168 6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.891 -7.711 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.624 -6.151 8.810 1.00 0.00 H new ATOM 815 N ASN A 60 6.650 -7.597 7.002 1.00 0.00 N ATOM 816 CA ASN A 60 5.376 -7.586 6.295 1.00 0.00 C ATOM 817 C ASN A 60 4.550 -6.366 6.690 1.00 0.00 C ATOM 818 O ASN A 60 4.869 -5.677 7.658 1.00 0.00 O ATOM 819 CB ASN A 60 4.593 -8.863 6.594 1.00 0.00 C ATOM 820 CG ASN A 60 5.408 -10.118 6.349 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.623 -10.055 6.156 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.743 -11.268 6.356 1.00 0.00 N ATOM 0 H ASN A 60 6.894 -8.497 7.415 1.00 0.00 H new ATOM 0 HA ASN A 60 5.581 -7.536 5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.261 -8.847 7.632 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.697 -8.889 5.974 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.239 -12.145 6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.736 -11.274 6.520 1.00 0.00 H new ATOM 827 N LEU A 61 3.492 -6.103 5.935 1.00 0.00 N ATOM 828 CA LEU A 61 2.632 -4.961 6.211 1.00 0.00 C ATOM 829 C LEU A 61 1.174 -5.291 5.933 1.00 0.00 C ATOM 830 O LEU A 61 0.849 -5.961 4.955 1.00 0.00 O ATOM 831 CB LEU A 61 3.062 -3.761 5.369 1.00 0.00 C ATOM 832 CG LEU A 61 3.619 -2.579 6.161 1.00 0.00 C ATOM 833 CD1 LEU A 61 5.119 -2.732 6.366 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.308 -1.276 5.445 1.00 0.00 C ATOM 0 H LEU A 61 3.210 -6.662 5.130 1.00 0.00 H new ATOM 0 HA LEU A 61 2.731 -4.714 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.818 -4.089 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.205 -3.418 4.789 1.00 0.00 H new ATOM 0 HG LEU A 61 3.142 -2.560 7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.498 -1.881 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.319 -3.651 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.616 -2.773 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.710 -0.441 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.762 -1.288 4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.228 -1.163 5.347 1.00 0.00 H new ATOM 840 N LEU A 62 0.307 -4.794 6.802 1.00 0.00 N ATOM 841 CA LEU A 62 -1.126 -5.001 6.678 1.00 0.00 C ATOM 842 C LEU A 62 -1.866 -3.758 7.147 1.00 0.00 C ATOM 843 O LEU A 62 -1.358 -2.991 7.962 1.00 0.00 O ATOM 844 CB LEU A 62 -1.596 -6.203 7.508 1.00 0.00 C ATOM 845 CG LEU A 62 -0.786 -7.496 7.354 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.693 -7.903 5.890 1.00 0.00 C ATOM 847 CD2 LEU A 62 0.600 -7.343 7.968 1.00 0.00 C ATOM 0 H LEU A 62 0.578 -4.236 7.612 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.343 -5.199 5.628 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.586 -5.917 8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.632 -6.416 7.245 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.305 -8.289 7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.114 -8.823 5.804 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.695 -8.067 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.203 -7.112 5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.156 -8.273 7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.132 -6.534 7.468 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.504 -7.113 9.029 1.00 0.00 H new ATOM 853 N ALA A 63 -3.068 -3.574 6.638 1.00 0.00 N ATOM 854 CA ALA A 63 -3.892 -2.433 7.009 1.00 0.00 C ATOM 855 C ALA A 63 -5.364 -2.764 6.834 1.00 0.00 C ATOM 856 O ALA A 63 -5.716 -3.666 6.076 1.00 0.00 O ATOM 857 CB ALA A 63 -3.517 -1.211 6.184 1.00 0.00 C ATOM 0 H ALA A 63 -3.501 -4.203 5.962 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.712 -2.204 8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.144 -0.369 6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.470 -0.962 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.668 -1.426 5.126 1.00 0.00 H new ATOM 863 N SER A 64 -6.224 -2.038 7.537 1.00 0.00 N ATOM 864 CA SER A 64 -7.659 -2.274 7.446 1.00 0.00 C ATOM 865 C SER A 64 -8.451 -1.100 8.009 1.00 0.00 C ATOM 866 O SER A 64 -8.129 -0.575 9.075 1.00 0.00 O ATOM 867 CB SER A 64 -8.031 -3.561 8.183 1.00 0.00 C ATOM 868 OG SER A 64 -7.102 -3.845 9.215 1.00 0.00 O ATOM 0 H SER A 64 -5.956 -1.286 8.172 1.00 0.00 H new ATOM 0 HA SER A 64 -7.915 -2.379 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.031 -3.465 8.606 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.061 -4.392 7.478 1.00 0.00 H new ATOM 0 HG SER A 64 -7.363 -4.672 9.672 1.00 0.00 H new ATOM 874 N ALA A 65 -9.490 -0.694 7.285 1.00 0.00 N ATOM 875 CA ALA A 65 -10.329 0.418 7.711 1.00 0.00 C ATOM 876 C ALA A 65 -11.752 0.275 7.179 1.00 0.00 C ATOM 877 O ALA A 65 -11.965 -0.197 6.062 1.00 0.00 O ATOM 878 CB ALA A 65 -9.724 1.737 7.255 1.00 0.00 C ATOM 0 H ALA A 65 -9.770 -1.119 6.401 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.377 0.406 8.800 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.360 2.561 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.731 1.852 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.646 1.745 6.168 1.00 0.00 H new ATOM 884 N THR A 66 -12.721 0.692 7.988 1.00 0.00 N ATOM 885 CA THR A 66 -14.128 0.622 7.606 1.00 0.00 C ATOM 886 C THR A 66 -14.773 1.998 7.706 1.00 0.00 C ATOM 887 O THR A 66 -14.853 2.573 8.792 1.00 0.00 O ATOM 888 CB THR A 66 -14.876 -0.368 8.500 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.310 -1.663 8.398 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.349 -0.481 8.169 1.00 0.00 C ATOM 0 H THR A 66 -12.557 1.083 8.916 1.00 0.00 H new ATOM 0 HA THR A 66 -14.186 0.278 6.573 1.00 0.00 H new ATOM 0 HB THR A 66 -14.778 0.026 9.511 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.801 -2.281 8.978 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.819 -1.200 8.841 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.825 0.492 8.289 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.466 -0.817 7.139 1.00 0.00 H new ATOM 895 N SER A 67 -15.230 2.529 6.576 1.00 0.00 N ATOM 896 CA SER A 67 -15.860 3.842 6.567 1.00 0.00 C ATOM 897 C SER A 67 -16.804 3.993 5.386 1.00 0.00 C ATOM 898 O SER A 67 -16.628 3.349 4.353 1.00 0.00 O ATOM 899 CB SER A 67 -14.796 4.938 6.514 1.00 0.00 C ATOM 900 OG SER A 67 -14.734 5.653 7.736 1.00 0.00 O ATOM 0 H SER A 67 -15.176 2.075 5.664 1.00 0.00 H new ATOM 0 HA SER A 67 -16.439 3.939 7.486 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.824 4.494 6.300 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.019 5.626 5.698 1.00 0.00 H new ATOM 0 HG SER A 67 -14.044 6.346 7.675 1.00 0.00 H new ATOM 906 N ASP A 68 -17.795 4.862 5.536 1.00 0.00 N ATOM 907 CA ASP A 68 -18.758 5.107 4.472 1.00 0.00 C ATOM 908 C ASP A 68 -18.107 5.857 3.313 1.00 0.00 C ATOM 909 O ASP A 68 -18.743 6.097 2.286 1.00 0.00 O ATOM 910 CB ASP A 68 -19.950 5.903 5.007 1.00 0.00 C ATOM 911 CG ASP A 68 -21.261 5.471 4.380 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.712 4.343 4.666 1.00 0.00 O ATOM 913 OD2 ASP A 68 -21.836 6.263 3.603 1.00 0.00 O ATOM 0 H ASP A 68 -17.952 5.408 6.383 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.111 4.143 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.010 5.780 6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.791 6.964 4.815 1.00 0.00 H new ATOM 918 N ASP A 69 -16.839 6.233 3.480 1.00 0.00 N ATOM 919 CA ASP A 69 -16.119 6.958 2.445 1.00 0.00 C ATOM 920 C ASP A 69 -15.017 6.093 1.832 1.00 0.00 C ATOM 921 O ASP A 69 -13.908 6.005 2.355 1.00 0.00 O ATOM 922 CB ASP A 69 -15.535 8.244 3.025 1.00 0.00 C ATOM 923 CG ASP A 69 -14.919 9.131 1.962 1.00 0.00 C ATOM 924 OD1 ASP A 69 -14.194 8.602 1.093 1.00 0.00 O ATOM 925 OD2 ASP A 69 -15.161 10.356 1.998 1.00 0.00 O ATOM 0 H ASP A 69 -16.294 6.046 4.322 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.819 7.214 1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.320 8.795 3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.778 7.993 3.768 1.00 0.00 H new ATOM 930 N MET A 70 -15.358 5.453 0.721 1.00 0.00 N ATOM 931 CA MET A 70 -14.456 4.569 -0.010 1.00 0.00 C ATOM 932 C MET A 70 -13.007 5.067 -0.062 1.00 0.00 C ATOM 933 O MET A 70 -12.108 4.465 0.538 1.00 0.00 O ATOM 934 CB MET A 70 -14.985 4.405 -1.436 1.00 0.00 C ATOM 935 CG MET A 70 -15.563 3.029 -1.721 1.00 0.00 C ATOM 936 SD MET A 70 -14.838 2.256 -3.179 1.00 0.00 S ATOM 937 CE MET A 70 -13.349 1.560 -2.473 1.00 0.00 C ATOM 0 H MET A 70 -16.281 5.534 0.295 1.00 0.00 H new ATOM 0 HA MET A 70 -14.434 3.620 0.526 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.754 5.156 -1.617 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.175 4.601 -2.139 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.402 2.386 -0.856 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.641 3.114 -1.858 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.477 1.985 -2.971 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.308 1.792 -1.409 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.353 0.478 -2.608 1.00 0.00 H new ATOM 947 N TYR A 71 -12.776 6.137 -0.814 1.00 0.00 N ATOM 948 CA TYR A 71 -11.430 6.668 -0.980 1.00 0.00 C ATOM 949 C TYR A 71 -10.835 7.146 0.327 1.00 0.00 C ATOM 950 O TYR A 71 -9.620 7.109 0.494 1.00 0.00 O ATOM 951 CB TYR A 71 -11.404 7.753 -2.053 1.00 0.00 C ATOM 952 CG TYR A 71 -11.062 7.184 -3.415 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.294 5.839 -3.691 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.499 7.968 -4.411 1.00 0.00 C ATOM 955 CE1 TYR A 71 -10.980 5.293 -4.913 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.182 7.429 -5.645 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.424 6.091 -5.891 1.00 0.00 C ATOM 958 OH TYR A 71 -10.110 5.554 -7.118 1.00 0.00 O ATOM 0 H TYR A 71 -13.500 6.651 -1.316 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.795 5.850 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.376 8.245 -2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.673 8.515 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.730 5.211 -2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.305 9.013 -4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.167 4.247 -5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.747 8.051 -6.413 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.728 6.251 -7.692 1.00 0.00 H new ATOM 968 N LYS A 72 -11.678 7.543 1.271 1.00 0.00 N ATOM 969 CA LYS A 72 -11.182 7.959 2.570 1.00 0.00 C ATOM 970 C LYS A 72 -10.744 6.720 3.337 1.00 0.00 C ATOM 971 O LYS A 72 -9.730 6.728 4.031 1.00 0.00 O ATOM 972 CB LYS A 72 -12.239 8.697 3.347 1.00 0.00 C ATOM 973 CG LYS A 72 -11.730 9.330 4.632 1.00 0.00 C ATOM 974 CD LYS A 72 -11.054 10.665 4.364 1.00 0.00 C ATOM 975 CE LYS A 72 -11.053 11.547 5.602 1.00 0.00 C ATOM 976 NZ LYS A 72 -12.173 12.529 5.586 1.00 0.00 N ATOM 0 H LYS A 72 -12.691 7.585 1.163 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.341 8.638 2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.664 9.476 2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.047 8.006 3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.561 9.474 5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.025 8.655 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.028 10.495 4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.568 11.178 3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.130 10.923 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.104 12.080 5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.137 13.111 6.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.086 13.142 4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.080 12.021 5.550 1.00 0.00 H new ATOM 990 N ALA A 73 -11.502 5.631 3.166 1.00 0.00 N ATOM 991 CA ALA A 73 -11.168 4.362 3.795 1.00 0.00 C ATOM 992 C ALA A 73 -9.807 3.946 3.274 1.00 0.00 C ATOM 993 O ALA A 73 -8.894 3.619 4.034 1.00 0.00 O ATOM 994 CB ALA A 73 -12.221 3.305 3.481 1.00 0.00 C ATOM 0 H ALA A 73 -12.348 5.610 2.597 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.144 4.468 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.949 2.366 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.191 3.636 3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.278 3.157 2.403 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.670 4.046 1.953 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.411 3.770 1.289 1.00 0.00 C ATOM 1002 C ILE A 74 -7.408 4.812 1.761 1.00 0.00 C ATOM 1003 O ILE A 74 -6.233 4.521 2.005 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.594 3.816 -0.245 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.185 2.492 -0.724 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.288 4.112 -0.972 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.527 2.631 -1.400 1.00 0.00 C ATOM 0 H ILE A 74 -10.425 4.318 1.323 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.050 2.772 1.536 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.278 4.632 -0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.487 2.023 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.286 1.821 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.467 4.134 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.902 5.079 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.559 3.335 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.881 1.648 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.241 3.070 -0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.429 3.275 -2.274 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.925 6.025 1.943 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.160 7.142 2.445 1.00 0.00 C ATOM 1013 C ASN A 75 -6.582 6.778 3.806 1.00 0.00 C ATOM 1014 O ASN A 75 -5.436 7.099 4.124 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.095 8.346 2.542 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.405 9.647 2.244 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.659 10.181 3.064 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.657 10.164 1.054 1.00 0.00 N ATOM 0 H ASN A 75 -8.899 6.253 1.741 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.330 7.386 1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.924 8.213 1.847 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.522 8.388 3.544 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.225 11.046 0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.284 9.681 0.410 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.393 6.074 4.589 1.00 0.00 N ATOM 1024 CA GLU A 76 -6.992 5.614 5.911 1.00 0.00 C ATOM 1025 C GLU A 76 -5.970 4.483 5.788 1.00 0.00 C ATOM 1026 O GLU A 76 -4.867 4.565 6.336 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.218 5.136 6.693 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.300 5.701 8.102 1.00 0.00 C ATOM 1029 CD GLU A 76 -8.683 7.168 8.121 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -7.780 8.019 7.986 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -9.888 7.464 8.271 1.00 0.00 O ATOM 0 H GLU A 76 -8.342 5.808 4.326 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.532 6.443 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.119 5.415 6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.202 4.047 6.747 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.031 5.131 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.337 5.574 8.597 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.339 3.430 5.050 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.448 2.292 4.840 1.00 0.00 C ATOM 1040 C VAL A 77 -4.064 2.764 4.445 1.00 0.00 C ATOM 1041 O VAL A 77 -3.066 2.388 5.057 1.00 0.00 O ATOM 1042 CB VAL A 77 -5.964 1.358 3.732 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.173 0.059 3.713 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.442 1.089 3.912 1.00 0.00 C ATOM 0 H VAL A 77 -7.246 3.346 4.591 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.412 1.747 5.783 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.823 1.852 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.554 -0.587 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.121 0.276 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.277 -0.444 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.790 0.427 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.611 0.617 4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.991 2.029 3.866 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.014 3.597 3.411 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.749 4.125 2.935 1.00 0.00 C ATOM 1050 C GLU A 78 -1.995 4.794 4.076 1.00 0.00 C ATOM 1051 O GLU A 78 -0.768 4.734 4.146 1.00 0.00 O ATOM 1052 CB GLU A 78 -2.977 5.121 1.795 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.833 5.177 0.796 1.00 0.00 C ATOM 1054 CD GLU A 78 -1.655 3.875 0.040 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -2.650 3.138 -0.117 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -0.520 3.594 -0.398 1.00 0.00 O ATOM 0 H GLU A 78 -4.832 3.917 2.892 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.150 3.297 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.894 4.855 1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.128 6.115 2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.015 5.983 0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.908 5.417 1.321 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.745 5.413 4.981 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.153 6.076 6.132 1.00 0.00 C ATOM 1065 C GLU A 79 -1.579 5.042 7.089 1.00 0.00 C ATOM 1066 O GLU A 79 -0.466 5.197 7.591 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.194 6.942 6.846 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.772 8.394 7.004 1.00 0.00 C ATOM 1069 CD GLU A 79 -3.795 9.219 7.760 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -4.997 8.886 7.691 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -3.394 10.200 8.423 1.00 0.00 O ATOM 0 H GLU A 79 -3.763 5.468 4.938 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.347 6.723 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.130 6.903 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.391 6.520 7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.817 8.436 7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.614 8.832 6.018 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.335 3.972 7.324 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.878 2.906 8.206 1.00 0.00 C ATOM 1080 C LYS A 80 -0.683 2.198 7.579 1.00 0.00 C ATOM 1081 O LYS A 80 0.349 1.995 8.224 1.00 0.00 O ATOM 1082 CB LYS A 80 -3.006 1.906 8.475 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.266 1.665 9.952 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.505 0.811 10.167 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.543 0.230 11.571 1.00 0.00 C ATOM 1086 NZ LYS A 80 -3.904 -1.114 11.635 1.00 0.00 N ATOM 0 H LYS A 80 -3.259 3.822 6.919 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.577 3.343 9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.921 2.270 8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.760 0.957 7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.402 1.174 10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.388 2.621 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.397 1.413 9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.522 0.002 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.034 0.907 12.257 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.578 0.156 11.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.736 -1.372 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.531 -1.818 11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.998 -1.092 11.125 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.830 1.838 6.307 1.00 0.00 N ATOM 1101 CA LEU A 81 0.235 1.166 5.575 1.00 0.00 C ATOM 1102 C LEU A 81 1.482 2.048 5.526 1.00 0.00 C ATOM 1103 O LEU A 81 2.596 1.577 5.771 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.238 0.799 4.157 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.140 -0.687 3.784 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.251 -1.009 3.265 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.491 -1.579 4.968 1.00 0.00 C ATOM 0 H LEU A 81 -1.677 2.001 5.763 1.00 0.00 H new ATOM 0 HA LEU A 81 0.492 0.243 6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.276 1.114 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.347 1.374 3.439 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.864 -0.886 2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.306 -2.066 3.004 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.458 -0.406 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.988 -0.787 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.412 -2.625 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.198 -1.382 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.511 -1.370 5.292 1.00 0.00 H new ATOM 1113 N GLU A 82 1.293 3.337 5.239 1.00 0.00 N ATOM 1114 CA GLU A 82 2.413 4.267 5.196 1.00 0.00 C ATOM 1115 C GLU A 82 3.018 4.407 6.583 1.00 0.00 C ATOM 1116 O GLU A 82 4.230 4.285 6.763 1.00 0.00 O ATOM 1117 CB GLU A 82 1.959 5.629 4.680 1.00 0.00 C ATOM 1118 CG GLU A 82 3.101 6.512 4.203 1.00 0.00 C ATOM 1119 CD GLU A 82 2.811 7.168 2.867 1.00 0.00 C ATOM 1120 OE1 GLU A 82 2.592 6.434 1.881 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.800 8.416 2.809 1.00 0.00 O ATOM 0 H GLU A 82 0.384 3.753 5.036 1.00 0.00 H new ATOM 0 HA GLU A 82 3.168 3.876 4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.258 5.481 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.418 6.146 5.472 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.295 7.284 4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.008 5.914 4.121 1.00 0.00 H new ATOM 1128 N ARG A 83 2.157 4.641 7.570 1.00 0.00 N ATOM 1129 CA ARG A 83 2.600 4.772 8.953 1.00 0.00 C ATOM 1130 C ARG A 83 3.466 3.576 9.333 1.00 0.00 C ATOM 1131 O ARG A 83 4.574 3.731 9.853 1.00 0.00 O ATOM 1132 CB ARG A 83 1.398 4.869 9.896 1.00 0.00 C ATOM 1133 CG ARG A 83 1.781 5.052 11.356 1.00 0.00 C ATOM 1134 CD ARG A 83 0.653 4.638 12.289 1.00 0.00 C ATOM 1135 NE ARG A 83 0.125 5.771 13.046 1.00 0.00 N ATOM 1136 CZ ARG A 83 -1.053 5.764 13.667 1.00 0.00 C ATOM 1137 NH1 ARG A 83 -1.826 4.686 13.626 1.00 0.00 N ATOM 1138 NH2 ARG A 83 -1.458 6.837 14.332 1.00 0.00 N ATOM 0 H ARG A 83 1.151 4.743 7.437 1.00 0.00 H new ATOM 0 HA ARG A 83 3.187 5.686 9.047 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.771 5.705 9.586 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.796 3.966 9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.670 4.462 11.576 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.038 6.096 11.537 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.150 4.184 11.708 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.015 3.877 12.980 1.00 0.00 H new ATOM 0 HE ARG A 83 0.692 6.617 13.102 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.519 3.857 13.117 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.727 4.686 14.104 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.867 7.668 14.368 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.360 6.832 14.808 1.00 0.00 H new ATOM 1152 N GLN A 84 2.962 2.379 9.038 1.00 0.00 N ATOM 1153 CA GLN A 84 3.702 1.158 9.321 1.00 0.00 C ATOM 1154 C GLN A 84 5.015 1.171 8.545 1.00 0.00 C ATOM 1155 O GLN A 84 6.072 0.824 9.080 1.00 0.00 O ATOM 1156 CB GLN A 84 2.867 -0.069 8.958 1.00 0.00 C ATOM 1157 CG GLN A 84 1.819 -0.413 10.002 1.00 0.00 C ATOM 1158 CD GLN A 84 0.882 -1.515 9.553 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.304 -2.648 9.321 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.398 -1.187 9.426 1.00 0.00 N ATOM 0 H GLN A 84 2.050 2.232 8.606 1.00 0.00 H new ATOM 0 HA GLN A 84 3.922 1.108 10.387 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.374 0.106 8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.530 -0.924 8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.316 -0.718 10.923 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.238 0.479 10.234 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.703 -0.235 9.629 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.076 -1.887 9.125 1.00 0.00 H new ATOM 1167 N LEU A 85 4.947 1.617 7.287 1.00 0.00 N ATOM 1168 CA LEU A 85 6.140 1.722 6.455 1.00 0.00 C ATOM 1169 C LEU A 85 7.177 2.560 7.191 1.00 0.00 C ATOM 1170 O LEU A 85 8.330 2.152 7.366 1.00 0.00 O ATOM 1171 CB LEU A 85 5.800 2.374 5.110 1.00 0.00 C ATOM 1172 CG LEU A 85 5.793 1.430 3.905 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.648 1.781 2.963 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.131 1.485 3.175 1.00 0.00 C ATOM 0 H LEU A 85 4.083 1.908 6.829 1.00 0.00 H new ATOM 0 HA LEU A 85 6.536 0.725 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.818 2.841 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.518 3.172 4.921 1.00 0.00 H new ATOM 0 HG LEU A 85 5.643 0.411 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.656 1.101 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.700 1.688 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.768 2.806 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.108 0.808 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.314 2.502 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.929 1.185 3.854 1.00 0.00 H new ATOM 1180 N ASN A 86 6.735 3.728 7.652 1.00 0.00 N ATOM 1181 CA ASN A 86 7.593 4.624 8.406 1.00 0.00 C ATOM 1182 C ASN A 86 8.100 3.907 9.647 1.00 0.00 C ATOM 1183 O ASN A 86 9.240 4.098 10.063 1.00 0.00 O ATOM 1184 CB ASN A 86 6.836 5.898 8.791 1.00 0.00 C ATOM 1185 CG ASN A 86 7.769 7.051 9.106 1.00 0.00 C ATOM 1186 OD1 ASN A 86 8.883 7.122 8.589 1.00 0.00 O ATOM 1187 ND2 ASN A 86 7.316 7.963 9.960 1.00 0.00 N ATOM 0 H ASN A 86 5.785 4.072 7.513 1.00 0.00 H new ATOM 0 HA ASN A 86 8.442 4.914 7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.172 6.184 7.975 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.207 5.696 9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 86 7.899 8.762 10.210 1.00 0.00 H new ATOM 0 HD22 ASN A 86 6.385 7.864 10.365 1.00 0.00 H new ATOM 1192 N LYS A 87 7.251 3.050 10.211 1.00 0.00 N ATOM 1193 CA LYS A 87 7.631 2.272 11.380 1.00 0.00 C ATOM 1194 C LYS A 87 8.835 1.413 11.043 1.00 0.00 C ATOM 1195 O LYS A 87 9.839 1.423 11.753 1.00 0.00 O ATOM 1196 CB LYS A 87 6.481 1.377 11.836 1.00 0.00 C ATOM 1197 CG LYS A 87 6.039 1.633 13.269 1.00 0.00 C ATOM 1198 CD LYS A 87 4.526 1.576 13.406 1.00 0.00 C ATOM 1199 CE LYS A 87 4.110 0.852 14.676 1.00 0.00 C ATOM 1200 NZ LYS A 87 2.729 1.216 15.095 1.00 0.00 N ATOM 0 H LYS A 87 6.302 2.880 9.877 1.00 0.00 H new ATOM 0 HA LYS A 87 7.877 2.960 12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.631 1.526 11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.783 0.334 11.739 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.493 0.893 13.928 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.398 2.610 13.592 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.122 2.588 13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.100 1.069 12.540 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.169 -0.225 14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.808 1.094 15.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.483 0.701 15.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.678 2.240 15.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.059 0.962 14.341 1.00 0.00 H new ATOM 1214 N LEU A 88 8.733 0.677 9.938 1.00 0.00 N ATOM 1215 CA LEU A 88 9.830 -0.172 9.503 1.00 0.00 C ATOM 1216 C LEU A 88 11.066 0.676 9.270 1.00 0.00 C ATOM 1217 O LEU A 88 12.102 0.485 9.907 1.00 0.00 O ATOM 1218 CB LEU A 88 9.482 -0.915 8.210 1.00 0.00 C ATOM 1219 CG LEU A 88 8.142 -1.647 8.200 1.00 0.00 C ATOM 1220 CD1 LEU A 88 8.015 -2.484 6.940 1.00 0.00 C ATOM 1221 CD2 LEU A 88 8.000 -2.524 9.430 1.00 0.00 C ATOM 0 H LEU A 88 7.910 0.654 9.336 1.00 0.00 H new ATOM 0 HA LEU A 88 10.017 -0.908 10.285 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.488 -0.198 7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.271 -1.639 8.007 1.00 0.00 H new ATOM 0 HG LEU A 88 7.343 -0.906 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.056 -3.002 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.075 -1.836 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.822 -3.215 6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.038 -3.036 9.403 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.803 -3.261 9.446 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.056 -1.906 10.326 1.00 0.00 H new ATOM 1227 N GLN A 89 10.938 1.628 8.352 1.00 0.00 N ATOM 1228 CA GLN A 89 12.039 2.533 8.030 1.00 0.00 C ATOM 1229 C GLN A 89 12.560 3.209 9.299 1.00 0.00 C ATOM 1230 O GLN A 89 13.720 3.616 9.369 1.00 0.00 O ATOM 1231 CB GLN A 89 11.582 3.592 7.021 1.00 0.00 C ATOM 1232 CG GLN A 89 11.711 3.160 5.568 1.00 0.00 C ATOM 1233 CD GLN A 89 10.639 2.185 5.144 1.00 0.00 C ATOM 1234 OE1 GLN A 89 10.152 1.387 5.943 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.275 2.242 3.876 1.00 0.00 N ATOM 0 H GLN A 89 10.085 1.794 7.818 1.00 0.00 H new ATOM 0 HA GLN A 89 12.846 1.950 7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.541 3.846 7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.167 4.499 7.173 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.667 4.041 4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.689 2.704 5.416 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.708 2.922 3.251 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.561 1.606 3.521 1.00 0.00 H new ATOM 1242 N HIS A 90 11.688 3.314 10.301 1.00 0.00 N ATOM 1243 CA HIS A 90 12.039 3.927 11.578 1.00 0.00 C ATOM 1244 C HIS A 90 12.820 2.955 12.447 1.00 0.00 C ATOM 1245 O HIS A 90 13.969 3.204 12.810 1.00 0.00 O ATOM 1246 CB HIS A 90 10.769 4.336 12.325 1.00 0.00 C ATOM 1247 CG HIS A 90 10.278 5.708 11.980 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.860 6.497 11.010 1.00 0.00 N ATOM 1249 CD2 HIS A 90 9.252 6.435 12.485 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.216 7.647 10.933 1.00 0.00 C ATOM 1251 NE2 HIS A 90 9.237 7.635 11.818 1.00 0.00 N ATOM 0 H HIS A 90 10.726 2.979 10.250 1.00 0.00 H new ATOM 0 HA HIS A 90 12.655 4.803 11.373 1.00 0.00 H new ATOM 0 HB2 HIS A 90 9.982 3.614 12.107 1.00 0.00 H new ATOM 0 HB3 HIS A 90 10.958 4.287 13.397 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.573 6.128 13.266 1.00 0.00 H new ATOM 0 HE1 HIS A 90 10.450 8.459 10.261 1.00 0.00 H new ATOM 0 HE2 HIS A 90 8.576 8.395 11.980 1.00 0.00 H new ATOM 1260 N LYS A 91 12.159 1.855 12.785 1.00 0.00 N ATOM 1261 CA LYS A 91 12.725 0.811 13.626 1.00 0.00 C ATOM 1262 C LYS A 91 13.367 1.381 14.890 1.00 0.00 C ATOM 1263 O LYS A 91 14.458 1.948 14.853 1.00 0.00 O ATOM 1264 CB LYS A 91 13.729 -0.050 12.846 1.00 0.00 C ATOM 1265 CG LYS A 91 14.927 0.713 12.298 1.00 0.00 C ATOM 1266 CD LYS A 91 16.126 -0.205 12.104 1.00 0.00 C ATOM 1267 CE LYS A 91 16.161 -0.796 10.703 1.00 0.00 C ATOM 1268 NZ LYS A 91 16.218 -2.283 10.731 1.00 0.00 N ATOM 0 H LYS A 91 11.205 1.662 12.479 1.00 0.00 H new ATOM 0 HA LYS A 91 11.899 0.172 13.938 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.089 -0.846 13.498 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.209 -0.529 12.016 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.662 1.175 11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.191 1.520 12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.045 0.353 12.287 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.090 -1.010 12.838 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.277 -0.477 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.028 -0.409 10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.241 -2.648 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.075 -2.588 11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.378 -2.653 11.220 1.00 0.00 H new ATOM 1282 N SER A 92 12.673 1.220 16.013 1.00 0.00 N ATOM 1283 CA SER A 92 13.165 1.709 17.295 1.00 0.00 C ATOM 1284 C SER A 92 13.413 0.548 18.254 1.00 0.00 C ATOM 1285 O SER A 92 13.465 -0.609 17.838 1.00 0.00 O ATOM 1286 CB SER A 92 12.164 2.693 17.908 1.00 0.00 C ATOM 1287 OG SER A 92 11.647 3.573 16.925 1.00 0.00 O ATOM 0 H SER A 92 11.767 0.754 16.060 1.00 0.00 H new ATOM 0 HA SER A 92 14.109 2.226 17.125 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.347 2.142 18.374 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.651 3.268 18.696 1.00 0.00 H new ATOM 0 HG SER A 92 11.009 4.190 17.341 1.00 0.00 H new ATOM 1293 N GLU A 93 13.564 0.862 19.537 1.00 0.00 N ATOM 1294 CA GLU A 93 13.806 -0.160 20.547 1.00 0.00 C ATOM 1295 C GLU A 93 12.571 -1.033 20.747 1.00 0.00 C ATOM 1296 O GLU A 93 12.583 -2.224 20.436 1.00 0.00 O ATOM 1297 CB GLU A 93 14.208 0.487 21.873 1.00 0.00 C ATOM 1298 CG GLU A 93 15.192 -0.342 22.682 1.00 0.00 C ATOM 1299 CD GLU A 93 14.505 -1.367 23.562 1.00 0.00 C ATOM 1300 OE1 GLU A 93 14.098 -2.425 23.036 1.00 0.00 O ATOM 1301 OE2 GLU A 93 14.374 -1.113 24.778 1.00 0.00 O ATOM 0 H GLU A 93 13.523 1.814 19.900 1.00 0.00 H new ATOM 0 HA GLU A 93 14.622 -0.792 20.198 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.648 1.464 21.672 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.312 0.658 22.470 1.00 0.00 H new ATOM 0 HG2 GLU A 93 15.876 -0.851 22.003 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.794 0.320 23.304 1.00 0.00 H new ATOM 1308 N SER A 94 11.507 -0.433 21.271 1.00 0.00 N ATOM 1309 CA SER A 94 10.264 -1.157 21.514 1.00 0.00 C ATOM 1310 C SER A 94 9.604 -1.564 20.200 1.00 0.00 C ATOM 1311 O SER A 94 10.042 -1.163 19.122 1.00 0.00 O ATOM 1312 CB SER A 94 9.303 -0.299 22.338 1.00 0.00 C ATOM 1313 OG SER A 94 8.181 -1.053 22.762 1.00 0.00 O ATOM 0 H SER A 94 11.480 0.552 21.535 1.00 0.00 H new ATOM 0 HA SER A 94 10.503 -2.061 22.073 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.824 0.103 23.207 1.00 0.00 H new ATOM 0 HB3 SER A 94 8.970 0.552 21.744 1.00 0.00 H new ATOM 0 HG SER A 94 7.583 -0.482 23.288 1.00 0.00 H new ATOM 1319 N ARG A 95 8.548 -2.365 20.298 1.00 0.00 N ATOM 1320 CA ARG A 95 7.824 -2.828 19.120 1.00 0.00 C ATOM 1321 C ARG A 95 6.508 -3.492 19.517 1.00 0.00 C ATOM 1322 O ARG A 95 6.495 -4.468 20.268 1.00 0.00 O ATOM 1323 CB ARG A 95 8.688 -3.808 18.319 1.00 0.00 C ATOM 1324 CG ARG A 95 8.908 -3.383 16.876 1.00 0.00 C ATOM 1325 CD ARG A 95 8.031 -4.175 15.920 1.00 0.00 C ATOM 1326 NE ARG A 95 8.185 -3.725 14.538 1.00 0.00 N ATOM 1327 CZ ARG A 95 7.829 -4.449 13.480 1.00 0.00 C ATOM 1328 NH1 ARG A 95 7.298 -5.655 13.640 1.00 0.00 N ATOM 1329 NH2 ARG A 95 8.004 -3.965 12.257 1.00 0.00 N ATOM 0 H ARG A 95 8.174 -2.707 21.183 1.00 0.00 H new ATOM 0 HA ARG A 95 7.597 -1.963 18.497 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.655 -3.912 18.810 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.216 -4.791 18.332 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.692 -2.320 16.772 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.956 -3.523 16.610 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.284 -5.233 15.987 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.987 -4.077 16.219 1.00 0.00 H new ATOM 0 HE ARG A 95 8.589 -2.803 14.375 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.161 -6.031 14.578 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.027 -6.205 12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.411 -3.039 12.129 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.731 -4.519 11.445 1.00 0.00 H new ATOM 1343 N ARG A 96 5.403 -2.957 19.007 1.00 0.00 N ATOM 1344 CA ARG A 96 4.083 -3.497 19.309 1.00 0.00 C ATOM 1345 C ARG A 96 3.011 -2.815 18.464 1.00 0.00 C ATOM 1346 O ARG A 96 3.161 -1.660 18.066 1.00 0.00 O ATOM 1347 CB ARG A 96 3.767 -3.327 20.797 1.00 0.00 C ATOM 1348 CG ARG A 96 3.795 -4.632 21.577 1.00 0.00 C ATOM 1349 CD ARG A 96 2.495 -4.860 22.333 1.00 0.00 C ATOM 1350 NE ARG A 96 2.319 -6.261 22.709 1.00 0.00 N ATOM 1351 CZ ARG A 96 1.368 -6.693 23.534 1.00 0.00 C ATOM 1352 NH1 ARG A 96 0.509 -5.838 24.073 1.00 0.00 N ATOM 1353 NH2 ARG A 96 1.279 -7.984 23.823 1.00 0.00 N ATOM 0 H ARG A 96 5.396 -2.150 18.383 1.00 0.00 H new ATOM 0 HA ARG A 96 4.087 -4.560 19.067 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.486 -2.635 21.236 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.782 -2.872 20.901 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.969 -5.462 20.892 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.628 -4.619 22.280 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.483 -4.240 23.229 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.655 -4.542 21.715 1.00 0.00 H new ATOM 0 HE ARG A 96 2.963 -6.948 22.316 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.575 -4.844 23.856 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.218 -6.175 24.705 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.939 -8.645 23.413 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.551 -8.316 24.455 1.00 0.00 H new ATOM 1367 N ALA A 97 1.928 -3.538 18.194 1.00 0.00 N ATOM 1368 CA ALA A 97 0.830 -3.004 17.397 1.00 0.00 C ATOM 1369 C ALA A 97 -0.438 -3.828 17.588 1.00 0.00 C ATOM 1370 O ALA A 97 -0.441 -5.041 17.376 1.00 0.00 O ATOM 1371 CB ALA A 97 1.218 -2.961 15.927 1.00 0.00 C ATOM 0 H ALA A 97 1.788 -4.496 18.516 1.00 0.00 H new ATOM 0 HA ALA A 97 0.626 -1.989 17.737 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.389 -2.560 15.343 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.093 -2.323 15.800 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.451 -3.969 15.582 1.00 0.00 H new ATOM 1377 N ASP A 98 -1.515 -3.161 17.988 1.00 0.00 N ATOM 1378 CA ASP A 98 -2.792 -3.830 18.207 1.00 0.00 C ATOM 1379 C ASP A 98 -3.910 -3.137 17.434 1.00 0.00 C ATOM 1380 O ASP A 98 -3.801 -1.961 17.087 1.00 0.00 O ATOM 1381 CB ASP A 98 -3.129 -3.857 19.699 1.00 0.00 C ATOM 1382 CG ASP A 98 -4.280 -4.792 20.016 1.00 0.00 C ATOM 1383 OD1 ASP A 98 -5.443 -4.341 19.965 1.00 0.00 O ATOM 1384 OD2 ASP A 98 -4.017 -5.976 20.313 1.00 0.00 O ATOM 0 H ASP A 98 -1.529 -2.157 18.167 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.704 -4.854 17.843 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.248 -4.166 20.262 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.381 -2.850 20.030 1.00 0.00 H new ATOM 1389 N GLU A 99 -4.983 -3.873 17.168 1.00 0.00 N ATOM 1390 CA GLU A 99 -6.121 -3.329 16.436 1.00 0.00 C ATOM 1391 C GLU A 99 -7.437 -3.784 17.058 1.00 0.00 C ATOM 1392 O GLU A 99 -7.552 -4.912 17.536 1.00 0.00 O ATOM 1393 CB GLU A 99 -6.063 -3.758 14.969 1.00 0.00 C ATOM 1394 CG GLU A 99 -4.757 -3.396 14.282 1.00 0.00 C ATOM 1395 CD GLU A 99 -3.802 -4.570 14.188 1.00 0.00 C ATOM 1396 OE1 GLU A 99 -4.187 -5.601 13.599 1.00 0.00 O ATOM 1397 OE2 GLU A 99 -2.671 -4.458 14.705 1.00 0.00 O ATOM 0 H GLU A 99 -5.089 -4.848 17.448 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.070 -2.242 16.492 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -6.209 -4.836 14.908 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.889 -3.293 14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.969 -3.024 13.280 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.276 -2.584 14.828 1.00 0.00 H new ATOM 1404 N ARG A 100 -8.427 -2.897 17.051 1.00 0.00 N ATOM 1405 CA ARG A 100 -9.736 -3.207 17.614 1.00 0.00 C ATOM 1406 C ARG A 100 -10.559 -4.051 16.646 1.00 0.00 C ATOM 1407 O ARG A 100 -10.146 -4.295 15.513 1.00 0.00 O ATOM 1408 CB ARG A 100 -10.487 -1.918 17.951 1.00 0.00 C ATOM 1409 CG ARG A 100 -10.593 -0.953 16.782 1.00 0.00 C ATOM 1410 CD ARG A 100 -11.872 -0.134 16.850 1.00 0.00 C ATOM 1411 NE ARG A 100 -11.928 0.696 18.052 1.00 0.00 N ATOM 1412 CZ ARG A 100 -12.972 1.451 18.384 1.00 0.00 C ATOM 1413 NH1 ARG A 100 -14.049 1.483 17.609 1.00 0.00 N ATOM 1414 NH2 ARG A 100 -12.941 2.174 19.495 1.00 0.00 N ATOM 0 H ARG A 100 -8.347 -1.958 16.662 1.00 0.00 H new ATOM 0 HA ARG A 100 -9.584 -3.781 18.528 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -11.490 -2.171 18.295 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -9.983 -1.419 18.779 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.732 -0.285 16.781 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.566 -1.510 15.845 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -11.943 0.501 15.967 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -12.732 -0.803 16.831 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.119 0.696 18.673 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -14.079 0.927 16.754 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -14.847 2.063 17.868 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.117 2.151 20.095 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -13.741 2.753 19.749 1.00 0.00 H new ATOM 1428 N LEU A 101 -11.727 -4.495 17.102 1.00 0.00 N ATOM 1429 CA LEU A 101 -12.609 -5.312 16.277 1.00 0.00 C ATOM 1430 C LEU A 101 -13.941 -4.608 16.042 1.00 0.00 C ATOM 1431 O LEU A 101 -14.141 -3.474 16.476 1.00 0.00 O ATOM 1432 CB LEU A 101 -12.847 -6.671 16.939 1.00 0.00 C ATOM 1433 CG LEU A 101 -11.583 -7.487 17.215 1.00 0.00 C ATOM 1434 CD1 LEU A 101 -11.723 -8.268 18.513 1.00 0.00 C ATOM 1435 CD2 LEU A 101 -11.293 -8.426 16.054 1.00 0.00 C ATOM 0 H LEU A 101 -12.084 -4.302 18.038 1.00 0.00 H new ATOM 0 HA LEU A 101 -12.125 -5.465 15.313 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.371 -6.512 17.881 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.508 -7.258 16.301 1.00 0.00 H new ATOM 0 HG LEU A 101 -10.744 -6.799 17.319 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.814 -8.842 18.692 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.883 -7.575 19.339 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -12.572 -8.947 18.439 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -10.391 -8.999 16.266 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.133 -9.108 15.919 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.148 -7.845 15.143 1.00 0.00 H new ATOM 1441 N LYS A 102 -14.851 -5.289 15.352 1.00 0.00 N ATOM 1442 CA LYS A 102 -16.165 -4.729 15.059 1.00 0.00 C ATOM 1443 C LYS A 102 -17.182 -5.146 16.117 1.00 0.00 C ATOM 1444 O LYS A 102 -17.056 -6.206 16.730 1.00 0.00 O ATOM 1445 CB LYS A 102 -16.639 -5.178 13.676 1.00 0.00 C ATOM 1446 CG LYS A 102 -17.960 -4.558 13.253 1.00 0.00 C ATOM 1447 CD LYS A 102 -18.515 -5.224 12.006 1.00 0.00 C ATOM 1448 CE LYS A 102 -20.035 -5.260 12.023 1.00 0.00 C ATOM 1449 NZ LYS A 102 -20.601 -5.491 10.665 1.00 0.00 N ATOM 0 H LYS A 102 -14.702 -6.229 14.986 1.00 0.00 H new ATOM 0 HA LYS A 102 -16.079 -3.642 15.070 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -15.876 -4.924 12.940 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.739 -6.263 13.670 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.681 -4.647 14.065 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -17.820 -3.493 13.066 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -18.173 -4.686 11.122 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -18.127 -6.240 11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -20.372 -6.049 12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -20.416 -4.319 12.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.639 -5.509 10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.301 -4.725 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.258 -6.401 10.296 1.00 0.00 H new ATOM 1463 N ASP A 103 -18.188 -4.303 16.327 1.00 0.00 N ATOM 1464 CA ASP A 103 -19.227 -4.586 17.311 1.00 0.00 C ATOM 1465 C ASP A 103 -18.631 -4.714 18.709 1.00 0.00 C ATOM 1466 O ASP A 103 -18.390 -5.820 19.193 1.00 0.00 O ATOM 1467 CB ASP A 103 -19.974 -5.868 16.943 1.00 0.00 C ATOM 1468 CG ASP A 103 -21.188 -5.601 16.074 1.00 0.00 C ATOM 1469 OD1 ASP A 103 -22.103 -4.887 16.536 1.00 0.00 O ATOM 1470 OD2 ASP A 103 -21.225 -6.106 14.932 1.00 0.00 O ATOM 0 H ASP A 103 -18.306 -3.420 15.830 1.00 0.00 H new ATOM 0 HA ASP A 103 -19.930 -3.753 17.309 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -19.297 -6.542 16.419 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -20.288 -6.377 17.854 1.00 0.00 H new ATOM 1475 N SER A 104 -18.395 -3.575 19.353 1.00 0.00 N ATOM 1476 CA SER A 104 -17.827 -3.561 20.697 1.00 0.00 C ATOM 1477 C SER A 104 -18.794 -2.924 21.689 1.00 0.00 C ATOM 1478 O SER A 104 -19.880 -2.481 21.316 1.00 0.00 O ATOM 1479 CB SER A 104 -16.498 -2.803 20.702 1.00 0.00 C ATOM 1480 OG SER A 104 -16.643 -1.515 20.129 1.00 0.00 O ATOM 0 H SER A 104 -18.588 -2.651 18.967 1.00 0.00 H new ATOM 0 HA SER A 104 -17.650 -4.592 21.002 1.00 0.00 H new ATOM 0 HB2 SER A 104 -16.133 -2.710 21.725 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.751 -3.369 20.146 1.00 0.00 H new ATOM 0 HG SER A 104 -16.699 -0.844 20.841 1.00 0.00 H new ATOM 1486 N PHE A 105 -18.392 -2.880 22.954 1.00 0.00 N ATOM 1487 CA PHE A 105 -19.223 -2.297 24.000 1.00 0.00 C ATOM 1488 C PHE A 105 -19.021 -0.787 24.078 1.00 0.00 C ATOM 1489 O PHE A 105 -19.943 -0.044 24.416 1.00 0.00 O ATOM 1490 CB PHE A 105 -18.900 -2.936 25.352 1.00 0.00 C ATOM 1491 CG PHE A 105 -19.314 -4.377 25.449 1.00 0.00 C ATOM 1492 CD1 PHE A 105 -20.620 -4.717 25.763 1.00 0.00 C ATOM 1493 CD2 PHE A 105 -18.396 -5.391 25.224 1.00 0.00 C ATOM 1494 CE1 PHE A 105 -21.003 -6.042 25.850 1.00 0.00 C ATOM 1495 CE2 PHE A 105 -18.774 -6.718 25.312 1.00 0.00 C ATOM 1496 CZ PHE A 105 -20.079 -7.043 25.625 1.00 0.00 C ATOM 0 H PHE A 105 -17.495 -3.241 23.280 1.00 0.00 H new ATOM 0 HA PHE A 105 -20.266 -2.494 23.752 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.828 -2.861 25.533 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.396 -2.370 26.140 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -21.347 -3.938 25.942 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -17.375 -5.142 24.977 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -22.024 -6.294 26.094 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -18.049 -7.499 25.136 1.00 0.00 H new ATOM 0 HZ PHE A 105 -20.377 -8.079 25.694 1.00 0.00 H new ATOM 1506 N GLU A 106 -17.810 -0.340 23.762 1.00 0.00 N ATOM 1507 CA GLU A 106 -17.488 1.081 23.795 1.00 0.00 C ATOM 1508 C GLU A 106 -17.453 1.664 22.386 1.00 0.00 C ATOM 1509 O GLU A 106 -16.958 1.032 21.453 1.00 0.00 O ATOM 1510 CB GLU A 106 -16.140 1.304 24.484 1.00 0.00 C ATOM 1511 CG GLU A 106 -15.986 2.690 25.086 1.00 0.00 C ATOM 1512 CD GLU A 106 -14.874 2.759 26.114 1.00 0.00 C ATOM 1513 OE1 GLU A 106 -13.766 2.261 25.825 1.00 0.00 O ATOM 1514 OE2 GLU A 106 -15.111 3.312 27.209 1.00 0.00 O ATOM 0 H GLU A 106 -17.036 -0.942 23.480 1.00 0.00 H new ATOM 0 HA GLU A 106 -18.267 1.591 24.361 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -16.016 0.560 25.271 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -15.341 1.140 23.761 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -15.785 3.407 24.290 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.926 2.986 25.552 1.00 0.00 H new ATOM 1521 N ASN A 107 -17.983 2.874 22.239 1.00 0.00 N ATOM 1522 CA ASN A 107 -18.014 3.543 20.944 1.00 0.00 C ATOM 1523 C ASN A 107 -18.808 2.728 19.929 1.00 0.00 C ATOM 1524 O ASN A 107 -19.690 3.259 19.258 1.00 99.99 O ATOM 1525 CB ASN A 107 -16.591 3.770 20.431 1.00 0.00 C ATOM 1526 CG ASN A 107 -15.738 4.544 21.417 1.00 0.00 C ATOM 1527 OD1 ASN A 107 -14.974 3.961 22.186 1.00 0.00 O ATOM 1528 ND2 ASN A 107 -15.864 5.865 21.399 1.00 0.00 N ATOM 0 H ASN A 107 -18.397 3.411 23.001 1.00 0.00 H new ATOM 0 HA ASN A 107 -18.506 4.507 21.073 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -16.123 2.807 20.228 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -16.630 4.311 19.486 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -15.315 6.438 22.040 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -16.510 6.307 20.745 1.00 0.00 H new TER 1533 ASN A 107