USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 714 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 2 SER OG : rot 106:sc= 0.906 USER MOD Set 1.2: A 82 ASN : amide:sc= -0.556 X(o=0.35,f=0.13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -170:sc= -1.07 USER MOD Single : A 6 LYS NZ :NH3+ 173:sc=-0.000208 (180deg=-0.0321) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 9 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.3) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 169:sc= 0.546 (180deg=0.384) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0.482 (180deg=0.402) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0152) USER MOD Single : A 24 MET CE :methyl 171:sc= -0.0232 (180deg=-0.14) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -172:sc= -0.265 (180deg=-0.385) USER MOD Single : A 28 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.14) USER MOD Single : A 34 GLN : amide:sc= -0.0551 K(o=-0.055,f=-0.57) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0232) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.748 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0162) USER MOD Single : A 53 GLN : amide:sc= 0.107 X(o=0.11,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.19) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.22) USER MOD Single : A 76 HIS : no HE2:sc= -0.111 K(o=-0.11,f=-0.95) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.480 3.052 -2.527 1.00 0.00 N ATOM 2 CA MET A 1 2.053 2.424 -3.794 1.00 0.00 C ATOM 3 C MET A 1 3.284 2.100 -4.661 1.00 0.00 C ATOM 4 O MET A 1 3.587 0.922 -4.911 1.00 0.00 O ATOM 5 CB MET A 1 1.062 3.348 -4.565 1.00 0.00 C ATOM 6 CG MET A 1 0.487 2.730 -5.849 1.00 0.00 C ATOM 7 SD MET A 1 -0.692 3.810 -6.683 1.00 0.00 S ATOM 8 CE MET A 1 -1.408 2.678 -7.877 1.00 0.00 C ATOM 0 H1 MET A 1 1.644 3.268 -1.947 1.00 0.00 H new ATOM 0 H2 MET A 1 3.102 2.399 -2.008 1.00 0.00 H new ATOM 0 H3 MET A 1 2.995 3.932 -2.732 1.00 0.00 H new ATOM 0 HA MET A 1 1.532 1.495 -3.564 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.238 3.610 -3.902 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.573 4.276 -4.820 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.304 2.498 -6.532 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.002 1.787 -5.605 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.158 3.201 -8.470 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.625 2.299 -8.534 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.877 1.845 -7.353 1.00 0.00 H new ATOM 18 N SER A 2 3.997 3.159 -5.104 1.00 0.00 N ATOM 19 CA SER A 2 5.177 3.030 -5.979 1.00 0.00 C ATOM 20 C SER A 2 6.141 4.212 -5.763 1.00 0.00 C ATOM 21 O SER A 2 7.172 4.038 -5.103 1.00 0.00 O ATOM 22 CB SER A 2 4.734 2.906 -7.455 1.00 0.00 C ATOM 23 OG SER A 2 3.836 3.945 -7.802 1.00 0.00 O ATOM 0 H SER A 2 3.769 4.124 -4.864 1.00 0.00 H new ATOM 0 HA SER A 2 5.718 2.120 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.608 2.943 -8.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.257 1.939 -7.616 1.00 0.00 H new ATOM 0 HG SER A 2 4.297 4.602 -8.365 1.00 0.00 H new ATOM 29 N LYS A 3 5.774 5.413 -6.308 1.00 0.00 N ATOM 30 CA LYS A 3 6.598 6.648 -6.254 1.00 0.00 C ATOM 31 C LYS A 3 8.055 6.359 -6.677 1.00 0.00 C ATOM 32 O LYS A 3 9.000 6.564 -5.905 1.00 0.00 O ATOM 33 CB LYS A 3 6.510 7.306 -4.839 1.00 0.00 C ATOM 34 CG LYS A 3 5.108 7.869 -4.476 1.00 0.00 C ATOM 35 CD LYS A 3 4.986 8.293 -2.991 1.00 0.00 C ATOM 36 CE LYS A 3 6.000 9.373 -2.564 1.00 0.00 C ATOM 37 NZ LYS A 3 5.902 9.668 -1.112 1.00 0.00 N ATOM 0 H LYS A 3 4.890 5.544 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 3 6.198 7.366 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.796 6.567 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.238 8.115 -4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.893 8.728 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.353 7.114 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.977 8.664 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.119 7.414 -2.360 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.010 9.039 -2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.824 10.285 -3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.598 10.398 -0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.945 10.010 -0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.095 8.803 -0.568 1.00 0.00 H new ATOM 51 N THR A 4 8.207 5.854 -7.913 1.00 0.00 N ATOM 52 CA THR A 4 9.493 5.354 -8.438 1.00 0.00 C ATOM 53 C THR A 4 10.513 6.501 -8.580 1.00 0.00 C ATOM 54 O THR A 4 11.639 6.401 -8.080 1.00 0.00 O ATOM 55 CB THR A 4 9.279 4.635 -9.805 1.00 0.00 C ATOM 56 OG1 THR A 4 8.733 5.558 -10.751 1.00 0.00 O ATOM 57 CG2 THR A 4 8.328 3.429 -9.675 1.00 0.00 C ATOM 0 H THR A 4 7.439 5.780 -8.580 1.00 0.00 H new ATOM 0 HA THR A 4 9.895 4.633 -7.727 1.00 0.00 H new ATOM 0 HB THR A 4 10.249 4.270 -10.142 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.446 5.073 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.205 2.956 -10.649 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.747 2.709 -8.972 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.358 3.768 -9.312 1.00 0.00 H new ATOM 65 N ALA A 5 10.092 7.607 -9.242 1.00 0.00 N ATOM 66 CA ALA A 5 10.898 8.853 -9.346 1.00 0.00 C ATOM 67 C ALA A 5 10.674 9.790 -8.132 1.00 0.00 C ATOM 68 O ALA A 5 11.092 10.956 -8.163 1.00 0.00 O ATOM 69 CB ALA A 5 10.573 9.580 -10.662 1.00 0.00 C ATOM 0 H ALA A 5 9.191 7.663 -9.716 1.00 0.00 H new ATOM 0 HA ALA A 5 11.951 8.572 -9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 5 11.167 10.491 -10.731 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.808 8.930 -11.505 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.514 9.835 -10.685 1.00 0.00 H new ATOM 75 N LYS A 6 10.033 9.229 -7.066 1.00 0.00 N ATOM 76 CA LYS A 6 9.723 9.897 -5.781 1.00 0.00 C ATOM 77 C LYS A 6 8.789 11.105 -6.011 1.00 0.00 C ATOM 78 O LYS A 6 7.559 10.953 -5.919 1.00 0.00 O ATOM 79 CB LYS A 6 11.021 10.297 -5.000 1.00 0.00 C ATOM 80 CG LYS A 6 12.137 9.224 -4.996 1.00 0.00 C ATOM 81 CD LYS A 6 11.700 7.879 -4.371 1.00 0.00 C ATOM 82 CE LYS A 6 12.760 6.778 -4.532 1.00 0.00 C ATOM 83 NZ LYS A 6 14.062 7.166 -3.945 1.00 0.00 N ATOM 0 H LYS A 6 9.709 8.262 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 6 9.195 9.182 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.420 11.214 -5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.751 10.524 -3.968 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.465 9.049 -6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.997 9.608 -4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.493 8.026 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.770 7.553 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.407 5.863 -4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.892 6.555 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.710 6.353 -3.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.470 7.951 -4.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.922 7.467 -2.959 1.00 0.00 H new ATOM 97 N LEU A 7 9.422 12.255 -6.378 1.00 0.00 N ATOM 98 CA LEU A 7 8.801 13.557 -6.737 1.00 0.00 C ATOM 99 C LEU A 7 9.891 14.628 -6.551 1.00 0.00 C ATOM 100 O LEU A 7 10.588 14.613 -5.532 1.00 0.00 O ATOM 101 CB LEU A 7 7.526 13.908 -5.885 1.00 0.00 C ATOM 102 CG LEU A 7 6.742 15.240 -6.232 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.231 15.096 -5.932 1.00 0.00 C ATOM 104 CD2 LEU A 7 7.317 16.481 -5.491 1.00 0.00 C ATOM 0 H LEU A 7 10.440 12.297 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 7 8.442 13.508 -7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.827 13.077 -5.973 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.828 13.961 -4.839 1.00 0.00 H new ATOM 0 HG LEU A 7 6.877 15.404 -7.301 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.720 16.026 -6.180 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.817 14.284 -6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.089 14.876 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.743 17.366 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.251 16.325 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.360 16.623 -5.774 1.00 0.00 H new ATOM 116 N ASN A 8 10.048 15.542 -7.532 1.00 0.00 N ATOM 117 CA ASN A 8 11.022 16.656 -7.444 1.00 0.00 C ATOM 118 C ASN A 8 10.600 17.799 -8.383 1.00 0.00 C ATOM 119 O ASN A 8 10.148 17.543 -9.505 1.00 0.00 O ATOM 120 CB ASN A 8 12.466 16.182 -7.784 1.00 0.00 C ATOM 121 CG ASN A 8 13.537 17.267 -7.564 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.423 18.111 -6.672 1.00 0.00 O ATOM 123 ND2 ASN A 8 14.583 17.252 -8.374 1.00 0.00 N ATOM 0 H ASN A 8 9.511 15.532 -8.399 1.00 0.00 H new ATOM 0 HA ASN A 8 11.027 17.018 -6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.709 15.314 -7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.498 15.857 -8.824 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.320 17.950 -8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 8 14.653 16.543 -9.104 1.00 0.00 H new ATOM 130 N ASN A 9 10.796 19.044 -7.896 1.00 0.00 N ATOM 131 CA ASN A 9 10.392 20.294 -8.573 1.00 0.00 C ATOM 132 C ASN A 9 8.891 20.260 -8.926 1.00 0.00 C ATOM 133 O ASN A 9 8.514 19.966 -10.070 1.00 0.00 O ATOM 134 CB ASN A 9 11.264 20.607 -9.832 1.00 0.00 C ATOM 135 CG ASN A 9 11.005 22.007 -10.418 1.00 0.00 C ATOM 136 OD1 ASN A 9 10.625 22.935 -9.702 1.00 0.00 O ATOM 137 ND2 ASN A 9 11.213 22.175 -11.711 1.00 0.00 N ATOM 0 H ASN A 9 11.251 19.211 -6.998 1.00 0.00 H new ATOM 0 HA ASN A 9 10.565 21.109 -7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.318 20.521 -9.566 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.066 19.857 -10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.059 23.089 -12.138 1.00 0.00 H new ATOM 0 HD22 ASN A 9 11.528 21.391 -12.283 1.00 0.00 H new ATOM 144 N GLU A 10 8.061 20.546 -7.907 1.00 0.00 N ATOM 145 CA GLU A 10 6.587 20.503 -7.984 1.00 0.00 C ATOM 146 C GLU A 10 6.048 21.299 -9.188 1.00 0.00 C ATOM 147 O GLU A 10 5.076 20.880 -9.798 1.00 0.00 O ATOM 148 CB GLU A 10 6.000 21.038 -6.654 1.00 0.00 C ATOM 149 CG GLU A 10 4.467 20.946 -6.535 1.00 0.00 C ATOM 150 CD GLU A 10 3.949 21.452 -5.185 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.857 20.648 -4.234 1.00 0.00 O ATOM 152 OE2 GLU A 10 3.675 22.662 -5.050 1.00 0.00 O ATOM 0 H GLU A 10 8.403 20.820 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 10 6.275 19.470 -8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.447 20.485 -5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.297 22.080 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.009 21.526 -7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.157 19.910 -6.674 1.00 0.00 H new ATOM 159 N GLU A 11 6.748 22.407 -9.523 1.00 0.00 N ATOM 160 CA GLU A 11 6.487 23.271 -10.705 1.00 0.00 C ATOM 161 C GLU A 11 6.109 22.459 -11.970 1.00 0.00 C ATOM 162 O GLU A 11 5.057 22.694 -12.577 1.00 0.00 O ATOM 163 CB GLU A 11 7.764 24.098 -11.000 1.00 0.00 C ATOM 164 CG GLU A 11 7.670 25.066 -12.212 1.00 0.00 C ATOM 165 CD GLU A 11 9.001 25.227 -12.968 1.00 0.00 C ATOM 166 OE1 GLU A 11 9.830 26.074 -12.576 1.00 0.00 O ATOM 167 OE2 GLU A 11 9.226 24.487 -13.951 1.00 0.00 O ATOM 0 H GLU A 11 7.534 22.737 -8.964 1.00 0.00 H new ATOM 0 HA GLU A 11 5.638 23.912 -10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.013 24.679 -10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.591 23.408 -11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.910 24.700 -12.902 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.338 26.044 -11.862 1.00 0.00 H new ATOM 174 N LYS A 12 6.978 21.485 -12.316 1.00 0.00 N ATOM 175 CA LYS A 12 6.819 20.620 -13.506 1.00 0.00 C ATOM 176 C LYS A 12 5.511 19.824 -13.435 1.00 0.00 C ATOM 177 O LYS A 12 4.753 19.740 -14.411 1.00 0.00 O ATOM 178 CB LYS A 12 8.016 19.630 -13.613 1.00 0.00 C ATOM 179 CG LYS A 12 9.404 20.291 -13.777 1.00 0.00 C ATOM 180 CD LYS A 12 9.538 21.117 -15.079 1.00 0.00 C ATOM 181 CE LYS A 12 9.356 20.270 -16.351 1.00 0.00 C ATOM 182 NZ LYS A 12 9.530 21.080 -17.579 1.00 0.00 N ATOM 0 H LYS A 12 7.816 21.275 -11.774 1.00 0.00 H new ATOM 0 HA LYS A 12 6.793 21.262 -14.386 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.032 19.006 -12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.844 18.968 -14.461 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.593 20.940 -12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.171 19.517 -13.765 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.798 21.917 -15.073 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.519 21.591 -15.102 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.077 19.452 -16.350 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.363 19.820 -16.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.400 20.475 -18.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.826 21.845 -17.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.486 21.489 -17.593 1.00 0.00 H new ATOM 196 N LEU A 13 5.266 19.256 -12.248 1.00 0.00 N ATOM 197 CA LEU A 13 4.109 18.392 -11.993 1.00 0.00 C ATOM 198 C LEU A 13 2.786 19.180 -12.042 1.00 0.00 C ATOM 199 O LEU A 13 1.777 18.671 -12.544 1.00 0.00 O ATOM 200 CB LEU A 13 4.269 17.645 -10.649 1.00 0.00 C ATOM 201 CG LEU A 13 5.445 16.605 -10.586 1.00 0.00 C ATOM 202 CD1 LEU A 13 6.807 17.261 -10.289 1.00 0.00 C ATOM 203 CD2 LEU A 13 5.149 15.479 -9.586 1.00 0.00 C ATOM 0 H LEU A 13 5.868 19.384 -11.434 1.00 0.00 H new ATOM 0 HA LEU A 13 4.068 17.650 -12.790 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.417 18.382 -9.860 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.336 17.126 -10.429 1.00 0.00 H new ATOM 0 HG LEU A 13 5.516 16.167 -11.581 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.581 16.494 -10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.042 17.982 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.763 17.772 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.984 14.779 -9.569 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.011 15.903 -8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.242 14.955 -9.886 1.00 0.00 H new ATOM 215 N VAL A 14 2.811 20.426 -11.545 1.00 0.00 N ATOM 216 CA VAL A 14 1.655 21.334 -11.588 1.00 0.00 C ATOM 217 C VAL A 14 1.283 21.624 -13.046 1.00 0.00 C ATOM 218 O VAL A 14 0.137 21.423 -13.439 1.00 0.00 O ATOM 219 CB VAL A 14 1.939 22.687 -10.834 1.00 0.00 C ATOM 220 CG1 VAL A 14 0.722 23.651 -10.894 1.00 0.00 C ATOM 221 CG2 VAL A 14 2.358 22.418 -9.375 1.00 0.00 C ATOM 0 H VAL A 14 3.635 20.833 -11.101 1.00 0.00 H new ATOM 0 HA VAL A 14 0.826 20.840 -11.080 1.00 0.00 H new ATOM 0 HB VAL A 14 2.765 23.180 -11.346 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.961 24.572 -10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.492 23.882 -11.934 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.142 23.176 -10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.550 23.365 -8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.558 21.888 -8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.263 21.811 -9.362 1.00 0.00 H new ATOM 231 N LYS A 15 2.296 22.040 -13.839 1.00 0.00 N ATOM 232 CA LYS A 15 2.138 22.368 -15.267 1.00 0.00 C ATOM 233 C LYS A 15 1.511 21.205 -16.061 1.00 0.00 C ATOM 234 O LYS A 15 0.553 21.415 -16.807 1.00 0.00 O ATOM 235 CB LYS A 15 3.511 22.749 -15.879 1.00 0.00 C ATOM 236 CG LYS A 15 4.108 24.073 -15.348 1.00 0.00 C ATOM 237 CD LYS A 15 5.535 24.321 -15.881 1.00 0.00 C ATOM 238 CE LYS A 15 6.089 25.703 -15.510 1.00 0.00 C ATOM 239 NZ LYS A 15 7.488 25.863 -15.975 1.00 0.00 N ATOM 0 H LYS A 15 3.251 22.157 -13.500 1.00 0.00 H new ATOM 0 HA LYS A 15 1.458 23.217 -15.336 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.218 21.943 -15.683 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.404 22.822 -16.961 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.464 24.903 -15.638 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.127 24.050 -14.258 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.201 23.553 -15.488 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.533 24.217 -16.966 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.465 26.479 -15.953 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.045 25.837 -14.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.774 26.858 -15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.116 25.266 -15.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.557 25.577 -16.972 1.00 0.00 H new ATOM 253 N LYS A 16 2.036 19.978 -15.860 1.00 0.00 N ATOM 254 CA LYS A 16 1.549 18.773 -16.566 1.00 0.00 C ATOM 255 C LYS A 16 0.152 18.365 -16.074 1.00 0.00 C ATOM 256 O LYS A 16 -0.624 17.802 -16.828 1.00 0.00 O ATOM 257 CB LYS A 16 2.547 17.597 -16.419 1.00 0.00 C ATOM 258 CG LYS A 16 2.220 16.327 -17.259 1.00 0.00 C ATOM 259 CD LYS A 16 2.227 16.577 -18.789 1.00 0.00 C ATOM 260 CE LYS A 16 3.617 16.949 -19.337 1.00 0.00 C ATOM 261 NZ LYS A 16 3.575 17.263 -20.788 1.00 0.00 N ATOM 0 H LYS A 16 2.801 19.795 -15.211 1.00 0.00 H new ATOM 0 HA LYS A 16 1.473 19.022 -17.624 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.540 17.950 -16.698 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.594 17.313 -15.368 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.946 15.549 -17.023 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.241 15.949 -16.965 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.871 15.682 -19.298 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.525 17.378 -19.023 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.004 17.809 -18.791 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.308 16.124 -19.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.486 17.669 -21.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.395 16.392 -21.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.815 17.948 -20.973 1.00 0.00 H new ATOM 275 N ALA A 17 -0.160 18.665 -14.806 1.00 0.00 N ATOM 276 CA ALA A 17 -1.506 18.433 -14.248 1.00 0.00 C ATOM 277 C ALA A 17 -2.518 19.430 -14.840 1.00 0.00 C ATOM 278 O ALA A 17 -3.701 19.124 -14.941 1.00 0.00 O ATOM 279 CB ALA A 17 -1.479 18.513 -12.724 1.00 0.00 C ATOM 0 H ALA A 17 0.501 19.070 -14.143 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.825 17.428 -14.524 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.481 18.339 -12.333 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.800 17.756 -12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.136 19.501 -12.418 1.00 0.00 H new ATOM 285 N LEU A 18 -2.030 20.624 -15.233 1.00 0.00 N ATOM 286 CA LEU A 18 -2.852 21.639 -15.925 1.00 0.00 C ATOM 287 C LEU A 18 -3.082 21.227 -17.387 1.00 0.00 C ATOM 288 O LEU A 18 -4.146 21.490 -17.952 1.00 0.00 O ATOM 289 CB LEU A 18 -2.186 23.045 -15.865 1.00 0.00 C ATOM 290 CG LEU A 18 -1.849 23.590 -14.441 1.00 0.00 C ATOM 291 CD1 LEU A 18 -1.293 25.031 -14.487 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.058 23.475 -13.497 1.00 0.00 C ATOM 0 H LEU A 18 -1.063 20.911 -15.082 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.812 21.699 -15.413 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.264 23.012 -16.446 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.847 23.758 -16.357 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.056 22.962 -14.036 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.073 25.369 -13.474 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.380 25.050 -15.082 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.033 25.692 -14.937 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.790 23.863 -12.514 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.891 24.052 -13.900 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.351 22.429 -13.407 1.00 0.00 H new ATOM 304 N GLU A 19 -2.055 20.587 -17.985 1.00 0.00 N ATOM 305 CA GLU A 19 -2.119 20.056 -19.361 1.00 0.00 C ATOM 306 C GLU A 19 -3.133 18.901 -19.452 1.00 0.00 C ATOM 307 O GLU A 19 -4.096 18.966 -20.219 1.00 0.00 O ATOM 308 CB GLU A 19 -0.714 19.579 -19.831 1.00 0.00 C ATOM 309 CG GLU A 19 0.350 20.697 -19.918 1.00 0.00 C ATOM 310 CD GLU A 19 1.750 20.185 -20.298 1.00 0.00 C ATOM 311 OE1 GLU A 19 1.917 19.687 -21.434 1.00 0.00 O ATOM 312 OE2 GLU A 19 2.683 20.244 -19.465 1.00 0.00 O ATOM 0 H GLU A 19 -1.159 20.424 -17.526 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.450 20.859 -20.019 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.358 18.810 -19.146 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.812 19.112 -20.811 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.030 21.435 -20.653 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.407 21.208 -18.957 1.00 0.00 H new ATOM 319 N ILE A 20 -2.906 17.869 -18.626 1.00 0.00 N ATOM 320 CA ILE A 20 -3.710 16.643 -18.602 1.00 0.00 C ATOM 321 C ILE A 20 -5.104 16.933 -18.043 1.00 0.00 C ATOM 322 O ILE A 20 -6.088 16.649 -18.702 1.00 0.00 O ATOM 323 CB ILE A 20 -3.004 15.505 -17.768 1.00 0.00 C ATOM 324 CG1 ILE A 20 -1.584 15.189 -18.346 1.00 0.00 C ATOM 325 CG2 ILE A 20 -3.871 14.221 -17.698 1.00 0.00 C ATOM 326 CD1 ILE A 20 -1.563 14.700 -19.778 1.00 0.00 C ATOM 0 H ILE A 20 -2.146 17.865 -17.946 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.809 16.287 -19.628 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.885 15.874 -16.749 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.973 16.089 -18.278 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.112 14.436 -17.715 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.350 13.461 -17.115 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.825 14.451 -17.223 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.048 13.846 -18.706 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.534 14.510 -20.083 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.141 13.779 -19.856 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.999 15.458 -20.428 1.00 0.00 H new ATOM 338 N GLY A 21 -5.163 17.537 -16.847 1.00 0.00 N ATOM 339 CA GLY A 21 -6.434 17.880 -16.197 1.00 0.00 C ATOM 340 C GLY A 21 -7.240 18.915 -16.980 1.00 0.00 C ATOM 341 O GLY A 21 -8.471 18.926 -16.910 1.00 0.00 O ATOM 0 H GLY A 21 -4.338 17.799 -16.308 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.031 16.976 -16.078 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.233 18.264 -15.197 1.00 0.00 H new ATOM 345 N GLY A 22 -6.527 19.783 -17.733 1.00 0.00 N ATOM 346 CA GLY A 22 -7.158 20.770 -18.613 1.00 0.00 C ATOM 347 C GLY A 22 -7.816 20.132 -19.834 1.00 0.00 C ATOM 348 O GLY A 22 -8.956 20.468 -20.160 1.00 0.00 O ATOM 0 H GLY A 22 -5.507 19.813 -17.742 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.907 21.327 -18.050 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.408 21.489 -18.943 1.00 0.00 H new ATOM 352 N LYS A 23 -7.099 19.195 -20.509 1.00 0.00 N ATOM 353 CA LYS A 23 -7.622 18.519 -21.728 1.00 0.00 C ATOM 354 C LYS A 23 -8.686 17.470 -21.361 1.00 0.00 C ATOM 355 O LYS A 23 -9.589 17.189 -22.147 1.00 0.00 O ATOM 356 CB LYS A 23 -6.476 17.905 -22.608 1.00 0.00 C ATOM 357 CG LYS A 23 -5.584 16.804 -21.963 1.00 0.00 C ATOM 358 CD LYS A 23 -6.200 15.382 -21.971 1.00 0.00 C ATOM 359 CE LYS A 23 -5.303 14.336 -21.295 1.00 0.00 C ATOM 360 NZ LYS A 23 -4.031 14.127 -22.025 1.00 0.00 N ATOM 0 H LYS A 23 -6.165 18.892 -20.233 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.102 19.282 -22.340 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.930 17.486 -23.506 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.826 18.719 -22.929 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.630 16.774 -22.489 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.371 17.087 -20.932 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.165 15.407 -21.464 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.389 15.080 -23.001 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.086 14.652 -20.275 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.840 13.390 -21.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.490 13.365 -21.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.235 13.865 -23.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.473 15.005 -22.009 1.00 0.00 H new ATOM 374 N MET A 24 -8.546 16.886 -20.162 1.00 0.00 N ATOM 375 CA MET A 24 -9.531 15.951 -19.595 1.00 0.00 C ATOM 376 C MET A 24 -10.841 16.701 -19.340 1.00 0.00 C ATOM 377 O MET A 24 -11.891 16.276 -19.813 1.00 0.00 O ATOM 378 CB MET A 24 -8.991 15.290 -18.292 1.00 0.00 C ATOM 379 CG MET A 24 -7.994 14.143 -18.509 1.00 0.00 C ATOM 380 SD MET A 24 -7.202 13.591 -16.974 1.00 0.00 S ATOM 381 CE MET A 24 -8.593 13.088 -15.961 1.00 0.00 C ATOM 0 H MET A 24 -7.743 17.049 -19.555 1.00 0.00 H new ATOM 0 HA MET A 24 -9.715 15.145 -20.305 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.511 16.058 -17.685 1.00 0.00 H new ATOM 0 HB3 MET A 24 -9.837 14.912 -17.717 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.512 13.301 -18.967 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.226 14.465 -19.212 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.228 12.586 -15.065 1.00 0.00 H new ATOM 0 HE2 MET A 24 -9.171 13.967 -15.674 1.00 0.00 H new ATOM 0 HE3 MET A 24 -9.227 12.406 -16.527 1.00 0.00 H new ATOM 391 N ALA A 25 -10.734 17.859 -18.644 1.00 0.00 N ATOM 392 CA ALA A 25 -11.870 18.770 -18.391 1.00 0.00 C ATOM 393 C ALA A 25 -12.535 19.199 -19.707 1.00 0.00 C ATOM 394 O ALA A 25 -13.767 19.182 -19.817 1.00 0.00 O ATOM 395 CB ALA A 25 -11.412 19.999 -17.586 1.00 0.00 C ATOM 0 H ALA A 25 -9.855 18.185 -18.243 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.610 18.230 -17.800 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.263 20.657 -17.411 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.001 19.675 -16.630 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.647 20.537 -18.147 1.00 0.00 H new ATOM 401 N LYS A 26 -11.686 19.539 -20.701 1.00 0.00 N ATOM 402 CA LYS A 26 -12.106 19.909 -22.068 1.00 0.00 C ATOM 403 C LYS A 26 -13.090 18.876 -22.633 1.00 0.00 C ATOM 404 O LYS A 26 -14.251 19.206 -22.885 1.00 0.00 O ATOM 405 CB LYS A 26 -10.866 20.012 -22.996 1.00 0.00 C ATOM 406 CG LYS A 26 -11.157 20.399 -24.471 1.00 0.00 C ATOM 407 CD LYS A 26 -9.968 20.082 -25.425 1.00 0.00 C ATOM 408 CE LYS A 26 -8.632 20.727 -24.992 1.00 0.00 C ATOM 409 NZ LYS A 26 -8.711 22.203 -24.918 1.00 0.00 N ATOM 0 H LYS A 26 -10.674 19.564 -20.573 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.605 20.877 -22.022 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.181 20.748 -22.575 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.348 19.053 -22.987 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.044 19.865 -24.813 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.385 21.463 -24.524 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.838 19.001 -25.481 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.218 20.426 -26.429 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.341 20.333 -24.018 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.850 20.443 -25.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.790 22.586 -24.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.962 22.585 -25.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.437 22.478 -24.226 1.00 0.00 H new ATOM 423 N MET A 27 -12.605 17.614 -22.718 1.00 0.00 N ATOM 424 CA MET A 27 -13.335 16.466 -23.302 1.00 0.00 C ATOM 425 C MET A 27 -14.584 16.093 -22.480 1.00 0.00 C ATOM 426 O MET A 27 -15.548 15.554 -23.026 1.00 0.00 O ATOM 427 CB MET A 27 -12.393 15.237 -23.401 1.00 0.00 C ATOM 428 CG MET A 27 -11.180 15.434 -24.332 1.00 0.00 C ATOM 429 SD MET A 27 -10.126 13.967 -24.463 1.00 0.00 S ATOM 430 CE MET A 27 -9.583 13.719 -22.771 1.00 0.00 C ATOM 0 H MET A 27 -11.678 17.362 -22.376 1.00 0.00 H new ATOM 0 HA MET A 27 -13.668 16.764 -24.296 1.00 0.00 H new ATOM 0 HB2 MET A 27 -12.032 14.990 -22.402 1.00 0.00 H new ATOM 0 HB3 MET A 27 -12.969 14.381 -23.752 1.00 0.00 H new ATOM 0 HG2 MET A 27 -11.535 15.707 -25.326 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.583 16.269 -23.966 1.00 0.00 H new ATOM 0 HE1 MET A 27 -8.822 12.939 -22.744 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.165 14.648 -22.383 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.432 13.419 -22.157 1.00 0.00 H new ATOM 440 N GLN A 28 -14.533 16.355 -21.160 1.00 0.00 N ATOM 441 CA GLN A 28 -15.690 16.171 -20.258 1.00 0.00 C ATOM 442 C GLN A 28 -16.759 17.247 -20.531 1.00 0.00 C ATOM 443 O GLN A 28 -17.938 17.049 -20.235 1.00 0.00 O ATOM 444 CB GLN A 28 -15.236 16.197 -18.773 1.00 0.00 C ATOM 445 CG GLN A 28 -14.350 15.009 -18.339 1.00 0.00 C ATOM 446 CD GLN A 28 -14.998 13.641 -18.572 1.00 0.00 C ATOM 447 OE1 GLN A 28 -15.714 13.124 -17.715 1.00 0.00 O ATOM 448 NE2 GLN A 28 -14.754 13.044 -19.733 1.00 0.00 N ATOM 0 H GLN A 28 -13.695 16.698 -20.690 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.133 15.195 -20.455 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.690 17.123 -18.592 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.122 16.220 -18.139 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.407 15.052 -18.884 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.111 15.113 -17.281 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.156 13.497 -20.424 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.164 12.132 -19.934 1.00 0.00 H new ATOM 457 N GLY A 29 -16.315 18.384 -21.084 1.00 0.00 N ATOM 458 CA GLY A 29 -17.202 19.445 -21.559 1.00 0.00 C ATOM 459 C GLY A 29 -16.981 20.735 -20.815 1.00 0.00 C ATOM 460 O GLY A 29 -17.947 21.386 -20.402 1.00 0.00 O ATOM 0 H GLY A 29 -15.325 18.591 -21.213 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.037 19.607 -22.624 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -18.239 19.131 -21.442 1.00 0.00 H new ATOM 464 N PHE A 30 -15.701 21.130 -20.653 1.00 0.00 N ATOM 465 CA PHE A 30 -15.335 22.320 -19.828 1.00 0.00 C ATOM 466 C PHE A 30 -14.266 23.182 -20.505 1.00 0.00 C ATOM 467 O PHE A 30 -13.588 22.747 -21.430 1.00 0.00 O ATOM 468 CB PHE A 30 -14.845 21.903 -18.408 1.00 0.00 C ATOM 469 CG PHE A 30 -15.910 21.217 -17.549 1.00 0.00 C ATOM 470 CD1 PHE A 30 -16.897 21.968 -16.904 1.00 0.00 C ATOM 471 CD2 PHE A 30 -15.942 19.830 -17.406 1.00 0.00 C ATOM 472 CE1 PHE A 30 -17.870 21.354 -16.138 1.00 0.00 C ATOM 473 CE2 PHE A 30 -16.917 19.220 -16.643 1.00 0.00 C ATOM 474 CZ PHE A 30 -17.882 19.981 -16.013 1.00 0.00 C ATOM 0 H PHE A 30 -14.904 20.653 -21.075 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.244 22.914 -19.729 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.993 21.232 -18.513 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.489 22.790 -17.884 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.899 23.043 -17.006 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.194 19.226 -17.898 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -18.620 21.949 -15.638 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.925 18.145 -16.538 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.647 19.500 -15.422 1.00 0.00 H new ATOM 484 N ASP A 31 -14.128 24.417 -19.989 1.00 0.00 N ATOM 485 CA ASP A 31 -13.154 25.415 -20.452 1.00 0.00 C ATOM 486 C ASP A 31 -12.640 26.215 -19.232 1.00 0.00 C ATOM 487 O ASP A 31 -13.277 27.164 -18.766 1.00 0.00 O ATOM 488 CB ASP A 31 -13.786 26.332 -21.557 1.00 0.00 C ATOM 489 CG ASP A 31 -15.066 27.086 -21.118 1.00 0.00 C ATOM 490 OD1 ASP A 31 -16.063 26.427 -20.771 1.00 0.00 O ATOM 491 OD2 ASP A 31 -15.085 28.338 -21.129 1.00 0.00 O ATOM 0 H ASP A 31 -14.706 24.754 -19.220 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.300 24.923 -20.917 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.041 27.062 -21.874 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.022 25.719 -22.427 1.00 0.00 H new ATOM 496 N LEU A 32 -11.495 25.779 -18.682 1.00 0.00 N ATOM 497 CA LEU A 32 -10.931 26.346 -17.440 1.00 0.00 C ATOM 498 C LEU A 32 -10.182 27.671 -17.745 1.00 0.00 C ATOM 499 O LEU A 32 -9.374 27.692 -18.678 1.00 0.00 O ATOM 500 CB LEU A 32 -9.997 25.305 -16.763 1.00 0.00 C ATOM 501 CG LEU A 32 -10.640 23.895 -16.486 1.00 0.00 C ATOM 502 CD1 LEU A 32 -9.640 22.941 -15.801 1.00 0.00 C ATOM 503 CD2 LEU A 32 -11.956 24.015 -15.667 1.00 0.00 C ATOM 0 H LEU A 32 -10.934 25.027 -19.082 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.740 26.577 -16.747 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.119 25.167 -17.394 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.648 25.718 -15.817 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.896 23.464 -17.454 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.118 21.977 -15.625 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.771 22.803 -16.444 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.323 23.368 -14.849 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.370 23.021 -15.496 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.746 24.491 -14.709 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.676 24.617 -16.221 1.00 0.00 H new ATOM 515 N PRO A 33 -10.442 28.787 -16.962 1.00 0.00 N ATOM 516 CA PRO A 33 -9.897 30.155 -17.248 1.00 0.00 C ATOM 517 C PRO A 33 -8.345 30.178 -17.358 1.00 0.00 C ATOM 518 O PRO A 33 -7.638 30.007 -16.368 1.00 0.00 O ATOM 519 CB PRO A 33 -10.411 31.019 -16.055 1.00 0.00 C ATOM 520 CG PRO A 33 -10.792 30.030 -14.994 1.00 0.00 C ATOM 521 CD PRO A 33 -11.278 28.803 -15.732 1.00 0.00 C ATOM 0 HA PRO A 33 -10.230 30.531 -18.216 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.638 31.701 -15.700 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.264 31.630 -16.349 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.940 29.792 -14.357 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -11.572 30.432 -14.347 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.140 27.898 -15.141 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.340 28.871 -15.969 1.00 0.00 H new ATOM 529 N GLN A 34 -7.856 30.393 -18.593 1.00 0.00 N ATOM 530 CA GLN A 34 -6.436 30.218 -18.973 1.00 0.00 C ATOM 531 C GLN A 34 -5.552 31.422 -18.567 1.00 0.00 C ATOM 532 O GLN A 34 -4.481 31.244 -17.973 1.00 0.00 O ATOM 533 CB GLN A 34 -6.353 30.001 -20.513 1.00 0.00 C ATOM 534 CG GLN A 34 -4.948 29.642 -21.058 1.00 0.00 C ATOM 535 CD GLN A 34 -4.443 28.269 -20.609 1.00 0.00 C ATOM 536 OE1 GLN A 34 -5.225 27.342 -20.392 1.00 0.00 O ATOM 537 NE2 GLN A 34 -3.136 28.124 -20.476 1.00 0.00 N ATOM 0 H GLN A 34 -8.443 30.698 -19.369 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.052 29.351 -18.435 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.045 29.206 -20.789 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.696 30.909 -21.010 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.973 29.671 -22.147 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.238 30.403 -20.735 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.514 28.910 -20.663 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.749 27.226 -20.186 1.00 0.00 H new ATOM 546 N SER A 35 -6.043 32.633 -18.870 1.00 0.00 N ATOM 547 CA SER A 35 -5.241 33.876 -18.841 1.00 0.00 C ATOM 548 C SER A 35 -4.663 34.262 -17.436 1.00 0.00 C ATOM 549 O SER A 35 -3.471 34.606 -17.378 1.00 0.00 O ATOM 550 CB SER A 35 -6.064 35.040 -19.434 1.00 0.00 C ATOM 551 OG SER A 35 -6.447 34.764 -20.772 1.00 0.00 O ATOM 0 H SER A 35 -7.014 32.784 -19.145 1.00 0.00 H new ATOM 0 HA SER A 35 -4.362 33.677 -19.454 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.952 35.209 -18.825 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.477 35.958 -19.402 1.00 0.00 H new ATOM 0 HG SER A 35 -6.968 35.515 -21.125 1.00 0.00 H new ATOM 557 N PRO A 36 -5.452 34.240 -16.289 1.00 0.00 N ATOM 558 CA PRO A 36 -4.928 34.670 -14.954 1.00 0.00 C ATOM 559 C PRO A 36 -3.725 33.835 -14.470 1.00 0.00 C ATOM 560 O PRO A 36 -2.762 34.422 -13.977 1.00 0.00 O ATOM 561 CB PRO A 36 -6.148 34.528 -13.996 1.00 0.00 C ATOM 562 CG PRO A 36 -7.335 34.537 -14.909 1.00 0.00 C ATOM 563 CD PRO A 36 -6.881 33.837 -16.171 1.00 0.00 C ATOM 0 HA PRO A 36 -4.538 35.687 -14.995 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.096 33.605 -13.419 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.190 35.349 -13.280 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -8.182 34.020 -14.457 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.659 35.556 -15.121 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.989 32.755 -16.092 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.461 34.153 -17.038 1.00 0.00 H new ATOM 571 N GLN A 37 -3.839 32.477 -14.619 1.00 0.00 N ATOM 572 CA GLN A 37 -2.825 31.424 -14.253 1.00 0.00 C ATOM 573 C GLN A 37 -3.142 30.652 -12.921 1.00 0.00 C ATOM 574 O GLN A 37 -3.348 29.431 -13.006 1.00 0.00 O ATOM 575 CB GLN A 37 -1.320 31.868 -14.320 1.00 0.00 C ATOM 576 CG GLN A 37 -0.803 32.206 -15.736 1.00 0.00 C ATOM 577 CD GLN A 37 0.681 32.599 -15.770 1.00 0.00 C ATOM 578 OE1 GLN A 37 1.555 31.748 -15.914 1.00 0.00 O ATOM 579 NE2 GLN A 37 0.974 33.885 -15.617 1.00 0.00 N ATOM 0 H GLN A 37 -4.682 32.063 -15.017 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.947 30.712 -15.069 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.185 32.741 -13.682 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.703 31.072 -13.904 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.957 31.344 -16.385 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.396 33.024 -16.145 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.226 34.568 -15.500 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.947 34.190 -15.617 1.00 0.00 H new ATOM 588 N PRO A 38 -3.208 31.281 -11.668 1.00 0.00 N ATOM 589 CA PRO A 38 -3.451 30.505 -10.397 1.00 0.00 C ATOM 590 C PRO A 38 -4.851 29.858 -10.360 1.00 0.00 C ATOM 591 O PRO A 38 -5.071 28.856 -9.666 1.00 0.00 O ATOM 592 CB PRO A 38 -3.292 31.573 -9.283 1.00 0.00 C ATOM 593 CG PRO A 38 -3.632 32.865 -9.967 1.00 0.00 C ATOM 594 CD PRO A 38 -3.048 32.733 -11.361 1.00 0.00 C ATOM 0 HA PRO A 38 -2.762 29.667 -10.290 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.960 31.377 -8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.277 31.587 -8.885 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.710 33.021 -10.003 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.204 33.717 -9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.580 33.356 -12.080 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.001 33.036 -11.388 1.00 0.00 H new ATOM 602 N VAL A 39 -5.775 30.442 -11.129 1.00 0.00 N ATOM 603 CA VAL A 39 -7.161 29.974 -11.228 1.00 0.00 C ATOM 604 C VAL A 39 -7.244 28.651 -12.008 1.00 0.00 C ATOM 605 O VAL A 39 -8.149 27.867 -11.759 1.00 0.00 O ATOM 606 CB VAL A 39 -8.070 31.058 -11.894 1.00 0.00 C ATOM 607 CG1 VAL A 39 -8.013 32.383 -11.088 1.00 0.00 C ATOM 608 CG2 VAL A 39 -7.680 31.281 -13.373 1.00 0.00 C ATOM 0 H VAL A 39 -5.580 31.260 -11.706 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.524 29.796 -10.216 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.099 30.698 -11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.651 33.127 -11.565 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.361 32.205 -10.070 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.987 32.749 -11.062 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.329 32.040 -13.810 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.644 31.614 -13.430 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.792 30.347 -13.924 1.00 0.00 H new ATOM 618 N ARG A 40 -6.285 28.421 -12.946 1.00 0.00 N ATOM 619 CA ARG A 40 -6.184 27.150 -13.699 1.00 0.00 C ATOM 620 C ARG A 40 -5.909 26.008 -12.729 1.00 0.00 C ATOM 621 O ARG A 40 -6.521 24.955 -12.806 1.00 0.00 O ATOM 622 CB ARG A 40 -5.035 27.165 -14.745 1.00 0.00 C ATOM 623 CG ARG A 40 -5.130 28.252 -15.822 1.00 0.00 C ATOM 624 CD ARG A 40 -4.042 28.099 -16.898 1.00 0.00 C ATOM 625 NE ARG A 40 -4.183 26.823 -17.629 1.00 0.00 N ATOM 626 CZ ARG A 40 -3.190 25.976 -17.927 1.00 0.00 C ATOM 627 NH1 ARG A 40 -1.949 26.232 -17.550 1.00 0.00 N ATOM 628 NH2 ARG A 40 -3.454 24.860 -18.593 1.00 0.00 N ATOM 0 H ARG A 40 -5.571 29.105 -13.196 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.130 27.019 -14.224 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.089 27.285 -14.217 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.004 26.193 -15.238 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.112 28.210 -16.292 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.042 29.233 -15.355 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.103 28.931 -17.600 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.058 28.146 -16.432 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.121 26.564 -17.934 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.740 27.082 -17.026 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.200 25.579 -17.783 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.411 24.649 -18.876 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.700 24.212 -18.822 1.00 0.00 H new ATOM 642 N VAL A 41 -4.972 26.275 -11.812 1.00 0.00 N ATOM 643 CA VAL A 41 -4.485 25.316 -10.817 1.00 0.00 C ATOM 644 C VAL A 41 -5.641 24.822 -9.923 1.00 0.00 C ATOM 645 O VAL A 41 -5.875 23.609 -9.789 1.00 0.00 O ATOM 646 CB VAL A 41 -3.329 25.976 -9.969 1.00 0.00 C ATOM 647 CG1 VAL A 41 -2.783 25.022 -8.893 1.00 0.00 C ATOM 648 CG2 VAL A 41 -2.185 26.475 -10.895 1.00 0.00 C ATOM 0 H VAL A 41 -4.521 27.187 -11.741 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.079 24.442 -11.326 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.758 26.834 -9.451 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.990 25.519 -8.335 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.587 24.744 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.385 24.126 -9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.398 26.927 -10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.776 25.633 -11.453 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.578 27.216 -11.592 1.00 0.00 H new ATOM 658 N LYS A 42 -6.398 25.783 -9.385 1.00 0.00 N ATOM 659 CA LYS A 42 -7.527 25.515 -8.480 1.00 0.00 C ATOM 660 C LYS A 42 -8.733 24.928 -9.266 1.00 0.00 C ATOM 661 O LYS A 42 -9.500 24.139 -8.714 1.00 0.00 O ATOM 662 CB LYS A 42 -7.878 26.826 -7.708 1.00 0.00 C ATOM 663 CG LYS A 42 -8.709 26.659 -6.397 1.00 0.00 C ATOM 664 CD LYS A 42 -10.242 26.554 -6.611 1.00 0.00 C ATOM 665 CE LYS A 42 -10.842 27.785 -7.326 1.00 0.00 C ATOM 666 NZ LYS A 42 -10.559 29.054 -6.605 1.00 0.00 N ATOM 0 H LYS A 42 -6.246 26.776 -9.564 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.253 24.759 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.947 27.336 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.430 27.481 -8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.366 25.764 -5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.504 27.506 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.460 25.660 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.730 26.430 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.439 27.847 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.920 27.657 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.025 29.844 -7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.922 28.989 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.532 29.218 -6.581 1.00 0.00 H new ATOM 680 N ALA A 43 -8.861 25.295 -10.555 1.00 0.00 N ATOM 681 CA ALA A 43 -9.939 24.785 -11.445 1.00 0.00 C ATOM 682 C ALA A 43 -9.746 23.294 -11.767 1.00 0.00 C ATOM 683 O ALA A 43 -10.704 22.510 -11.715 1.00 0.00 O ATOM 684 CB ALA A 43 -9.996 25.595 -12.748 1.00 0.00 C ATOM 0 H ALA A 43 -8.227 25.950 -11.014 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.882 24.900 -10.911 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.791 25.205 -13.384 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.196 26.641 -12.517 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.042 25.514 -13.269 1.00 0.00 H new ATOM 690 N VAL A 44 -8.497 22.927 -12.111 1.00 0.00 N ATOM 691 CA VAL A 44 -8.099 21.538 -12.386 1.00 0.00 C ATOM 692 C VAL A 44 -8.308 20.691 -11.124 1.00 0.00 C ATOM 693 O VAL A 44 -8.855 19.599 -11.207 1.00 0.00 O ATOM 694 CB VAL A 44 -6.603 21.434 -12.880 1.00 0.00 C ATOM 695 CG1 VAL A 44 -6.130 19.963 -12.996 1.00 0.00 C ATOM 696 CG2 VAL A 44 -6.416 22.161 -14.234 1.00 0.00 C ATOM 0 H VAL A 44 -7.731 23.594 -12.206 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.726 21.160 -13.194 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.986 21.924 -12.127 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.096 19.939 -13.339 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.200 19.480 -12.021 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.761 19.433 -13.710 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.377 22.075 -14.553 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.064 21.707 -14.983 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.675 23.214 -14.120 1.00 0.00 H new ATOM 706 N TYR A 45 -7.904 21.245 -9.967 1.00 0.00 N ATOM 707 CA TYR A 45 -8.136 20.641 -8.645 1.00 0.00 C ATOM 708 C TYR A 45 -9.620 20.287 -8.433 1.00 0.00 C ATOM 709 O TYR A 45 -9.931 19.139 -8.133 1.00 0.00 O ATOM 710 CB TYR A 45 -7.633 21.611 -7.552 1.00 0.00 C ATOM 711 CG TYR A 45 -8.136 21.333 -6.127 1.00 0.00 C ATOM 712 CD1 TYR A 45 -7.542 20.357 -5.323 1.00 0.00 C ATOM 713 CD2 TYR A 45 -9.213 22.055 -5.596 1.00 0.00 C ATOM 714 CE1 TYR A 45 -8.007 20.114 -4.047 1.00 0.00 C ATOM 715 CE2 TYR A 45 -9.670 21.816 -4.326 1.00 0.00 C ATOM 716 CZ TYR A 45 -9.072 20.849 -3.562 1.00 0.00 C ATOM 717 OH TYR A 45 -9.544 20.612 -2.304 1.00 0.00 O ATOM 0 H TYR A 45 -7.403 22.132 -9.924 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.580 19.706 -8.583 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.543 21.585 -7.544 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.926 22.624 -7.829 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.709 19.786 -5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.692 22.813 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.543 19.356 -3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.497 22.387 -3.930 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.294 21.215 -2.117 1.00 0.00 H new ATOM 727 N LEU A 46 -10.512 21.292 -8.604 1.00 0.00 N ATOM 728 CA LEU A 46 -11.974 21.122 -8.429 1.00 0.00 C ATOM 729 C LEU A 46 -12.510 20.006 -9.341 1.00 0.00 C ATOM 730 O LEU A 46 -13.297 19.163 -8.908 1.00 0.00 O ATOM 731 CB LEU A 46 -12.729 22.447 -8.723 1.00 0.00 C ATOM 732 CG LEU A 46 -12.514 23.613 -7.709 1.00 0.00 C ATOM 733 CD1 LEU A 46 -13.299 24.869 -8.149 1.00 0.00 C ATOM 734 CD2 LEU A 46 -12.887 23.191 -6.264 1.00 0.00 C ATOM 0 H LEU A 46 -10.240 22.239 -8.866 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.149 20.843 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.432 22.796 -9.712 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.796 22.228 -8.769 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.452 23.860 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.136 25.671 -7.429 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.953 25.188 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.363 24.635 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.724 24.029 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.936 22.896 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.264 22.351 -5.958 1.00 0.00 H new ATOM 746 N PHE A 47 -12.035 20.018 -10.591 1.00 0.00 N ATOM 747 CA PHE A 47 -12.366 19.009 -11.606 1.00 0.00 C ATOM 748 C PHE A 47 -11.957 17.589 -11.132 1.00 0.00 C ATOM 749 O PHE A 47 -12.748 16.649 -11.228 1.00 0.00 O ATOM 750 CB PHE A 47 -11.682 19.404 -12.958 1.00 0.00 C ATOM 751 CG PHE A 47 -11.520 18.257 -13.958 1.00 0.00 C ATOM 752 CD1 PHE A 47 -12.630 17.677 -14.568 1.00 0.00 C ATOM 753 CD2 PHE A 47 -10.259 17.735 -14.245 1.00 0.00 C ATOM 754 CE1 PHE A 47 -12.483 16.615 -15.435 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.116 16.670 -15.102 1.00 0.00 C ATOM 756 CZ PHE A 47 -11.229 16.109 -15.698 1.00 0.00 C ATOM 0 H PHE A 47 -11.400 20.740 -10.932 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.445 18.981 -11.761 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.267 20.195 -13.427 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.698 19.820 -12.742 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.617 18.063 -14.359 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.384 18.173 -13.788 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -13.351 16.180 -15.908 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.134 16.272 -15.309 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.116 15.272 -16.371 1.00 0.00 H new ATOM 766 N LEU A 48 -10.731 17.460 -10.610 1.00 0.00 N ATOM 767 CA LEU A 48 -10.168 16.171 -10.172 1.00 0.00 C ATOM 768 C LEU A 48 -10.853 15.629 -8.900 1.00 0.00 C ATOM 769 O LEU A 48 -11.034 14.422 -8.769 1.00 0.00 O ATOM 770 CB LEU A 48 -8.647 16.298 -9.944 1.00 0.00 C ATOM 771 CG LEU A 48 -7.790 16.661 -11.193 1.00 0.00 C ATOM 772 CD1 LEU A 48 -6.311 16.821 -10.811 1.00 0.00 C ATOM 773 CD2 LEU A 48 -7.975 15.632 -12.330 1.00 0.00 C ATOM 0 H LEU A 48 -10.097 18.248 -10.478 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.357 15.454 -10.971 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.478 17.057 -9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.281 15.354 -9.541 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.143 17.620 -11.572 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.731 17.074 -11.699 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.210 17.616 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.941 15.886 -10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.361 15.919 -13.184 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.671 14.645 -11.981 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.023 15.605 -12.629 1.00 0.00 H new ATOM 785 N VAL A 49 -11.219 16.522 -7.965 1.00 0.00 N ATOM 786 CA VAL A 49 -11.916 16.139 -6.718 1.00 0.00 C ATOM 787 C VAL A 49 -13.349 15.673 -7.047 1.00 0.00 C ATOM 788 O VAL A 49 -13.843 14.696 -6.486 1.00 0.00 O ATOM 789 CB VAL A 49 -11.960 17.315 -5.667 1.00 0.00 C ATOM 790 CG1 VAL A 49 -12.720 16.894 -4.385 1.00 0.00 C ATOM 791 CG2 VAL A 49 -10.538 17.804 -5.308 1.00 0.00 C ATOM 0 H VAL A 49 -11.043 17.523 -8.048 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.352 15.324 -6.265 1.00 0.00 H new ATOM 0 HB VAL A 49 -12.499 18.141 -6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.733 17.725 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.743 16.620 -4.642 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.219 16.040 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.604 18.614 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -9.967 16.980 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.039 18.163 -6.208 1.00 0.00 H new ATOM 801 N ASP A 50 -13.986 16.383 -7.993 1.00 0.00 N ATOM 802 CA ASP A 50 -15.336 16.054 -8.498 1.00 0.00 C ATOM 803 C ASP A 50 -15.321 14.699 -9.236 1.00 0.00 C ATOM 804 O ASP A 50 -16.244 13.894 -9.100 1.00 0.00 O ATOM 805 CB ASP A 50 -15.821 17.181 -9.449 1.00 0.00 C ATOM 806 CG ASP A 50 -17.277 17.007 -9.932 1.00 0.00 C ATOM 807 OD1 ASP A 50 -18.207 17.325 -9.161 1.00 0.00 O ATOM 808 OD2 ASP A 50 -17.502 16.542 -11.075 1.00 0.00 O ATOM 0 H ASP A 50 -13.579 17.208 -8.434 1.00 0.00 H new ATOM 0 HA ASP A 50 -16.023 15.975 -7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.730 18.139 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.163 17.219 -10.317 1.00 0.00 H new ATOM 813 N ALA A 51 -14.233 14.461 -9.989 1.00 0.00 N ATOM 814 CA ALA A 51 -14.015 13.218 -10.757 1.00 0.00 C ATOM 815 C ALA A 51 -13.391 12.113 -9.869 1.00 0.00 C ATOM 816 O ALA A 51 -13.089 11.018 -10.360 1.00 0.00 O ATOM 817 CB ALA A 51 -13.120 13.514 -11.974 1.00 0.00 C ATOM 0 H ALA A 51 -13.471 15.132 -10.084 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.979 12.849 -11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.960 12.596 -12.540 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.605 14.253 -12.611 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.160 13.903 -11.634 1.00 0.00 H new ATOM 823 N LYS A 52 -13.173 12.444 -8.566 1.00 0.00 N ATOM 824 CA LYS A 52 -12.694 11.513 -7.503 1.00 0.00 C ATOM 825 C LYS A 52 -11.267 10.980 -7.780 1.00 0.00 C ATOM 826 O LYS A 52 -10.838 9.978 -7.196 1.00 0.00 O ATOM 827 CB LYS A 52 -13.720 10.361 -7.261 1.00 0.00 C ATOM 828 CG LYS A 52 -15.178 10.850 -7.071 1.00 0.00 C ATOM 829 CD LYS A 52 -15.355 11.841 -5.891 1.00 0.00 C ATOM 830 CE LYS A 52 -16.707 12.577 -5.943 1.00 0.00 C ATOM 831 NZ LYS A 52 -17.862 11.648 -5.947 1.00 0.00 N ATOM 0 H LYS A 52 -13.329 13.389 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.623 12.087 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.685 9.673 -8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.418 9.798 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.513 11.330 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.823 9.987 -6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.275 11.299 -4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -14.546 12.571 -5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.786 13.245 -5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.743 13.200 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.747 12.194 -5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.832 11.061 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.818 11.036 -5.107 1.00 0.00 H new ATOM 845 N GLN A 53 -10.542 11.697 -8.656 1.00 0.00 N ATOM 846 CA GLN A 53 -9.123 11.454 -8.966 1.00 0.00 C ATOM 847 C GLN A 53 -8.256 11.702 -7.722 1.00 0.00 C ATOM 848 O GLN A 53 -7.319 10.949 -7.443 1.00 0.00 O ATOM 849 CB GLN A 53 -8.669 12.390 -10.119 1.00 0.00 C ATOM 850 CG GLN A 53 -9.486 12.277 -11.422 1.00 0.00 C ATOM 851 CD GLN A 53 -9.428 10.890 -12.066 1.00 0.00 C ATOM 852 OE1 GLN A 53 -8.538 10.600 -12.867 1.00 0.00 O ATOM 853 NE2 GLN A 53 -10.380 10.033 -11.731 1.00 0.00 N ATOM 0 H GLN A 53 -10.935 12.479 -9.180 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.004 10.416 -9.276 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.717 13.421 -9.768 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.624 12.179 -10.346 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.526 12.527 -11.211 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.119 13.015 -12.136 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.101 10.307 -11.064 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.392 9.099 -12.140 1.00 0.00 H new ATOM 862 N ILE A 54 -8.593 12.775 -6.985 1.00 0.00 N ATOM 863 CA ILE A 54 -7.939 13.138 -5.710 1.00 0.00 C ATOM 864 C ILE A 54 -8.998 13.406 -4.631 1.00 0.00 C ATOM 865 O ILE A 54 -10.187 13.589 -4.932 1.00 0.00 O ATOM 866 CB ILE A 54 -7.004 14.409 -5.850 1.00 0.00 C ATOM 867 CG1 ILE A 54 -7.791 15.611 -6.464 1.00 0.00 C ATOM 868 CG2 ILE A 54 -5.743 14.076 -6.672 1.00 0.00 C ATOM 869 CD1 ILE A 54 -6.990 16.891 -6.647 1.00 0.00 C ATOM 0 H ILE A 54 -9.333 13.422 -7.258 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.313 12.293 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.676 14.705 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.185 15.308 -7.434 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.647 15.827 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.117 14.965 -6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.184 13.283 -6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.035 13.745 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.629 17.661 -7.079 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.618 17.229 -5.680 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.149 16.702 -7.313 1.00 0.00 H new ATOM 881 N ALA A 55 -8.528 13.429 -3.376 1.00 0.00 N ATOM 882 CA ALA A 55 -9.328 13.793 -2.202 1.00 0.00 C ATOM 883 C ALA A 55 -9.344 15.327 -2.060 1.00 0.00 C ATOM 884 O ALA A 55 -8.381 15.994 -2.482 1.00 0.00 O ATOM 885 CB ALA A 55 -8.735 13.137 -0.938 1.00 0.00 C ATOM 0 H ALA A 55 -7.563 13.191 -3.146 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.350 13.435 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.334 13.412 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.740 12.053 -1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.711 13.482 -0.796 1.00 0.00 H new ATOM 891 N PRO A 56 -10.428 15.925 -1.479 1.00 0.00 N ATOM 892 CA PRO A 56 -10.461 17.374 -1.195 1.00 0.00 C ATOM 893 C PRO A 56 -9.483 17.773 -0.070 1.00 0.00 C ATOM 894 O PRO A 56 -8.934 16.927 0.643 1.00 0.00 O ATOM 895 CB PRO A 56 -11.937 17.629 -0.791 1.00 0.00 C ATOM 896 CG PRO A 56 -12.421 16.311 -0.267 1.00 0.00 C ATOM 897 CD PRO A 56 -11.708 15.257 -1.089 1.00 0.00 C ATOM 0 HA PRO A 56 -10.144 17.972 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.011 18.408 -0.032 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.530 17.958 -1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.191 16.203 0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.503 16.222 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.528 14.351 -0.511 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.292 14.967 -1.963 1.00 0.00 H new ATOM 905 N LEU A 57 -9.255 19.067 0.039 1.00 0.00 N ATOM 906 CA LEU A 57 -8.465 19.683 1.098 1.00 0.00 C ATOM 907 C LEU A 57 -9.428 20.382 2.061 1.00 0.00 C ATOM 908 O LEU A 57 -10.470 20.885 1.612 1.00 0.00 O ATOM 909 CB LEU A 57 -7.484 20.713 0.484 1.00 0.00 C ATOM 910 CG LEU A 57 -6.367 20.123 -0.431 1.00 0.00 C ATOM 911 CD1 LEU A 57 -5.667 21.233 -1.243 1.00 0.00 C ATOM 912 CD2 LEU A 57 -5.343 19.299 0.398 1.00 0.00 C ATOM 0 H LEU A 57 -9.625 19.745 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.885 18.929 1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.060 21.434 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.009 21.264 1.296 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.841 19.445 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.893 20.791 -1.871 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.399 21.741 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.214 21.952 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.576 18.899 -0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.878 19.942 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.856 18.476 0.896 1.00 0.00 H new ATOM 924 N PRO A 58 -9.125 20.432 3.393 1.00 0.00 N ATOM 925 CA PRO A 58 -9.918 21.242 4.336 1.00 0.00 C ATOM 926 C PRO A 58 -9.821 22.745 3.986 1.00 0.00 C ATOM 927 O PRO A 58 -8.957 23.151 3.199 1.00 0.00 O ATOM 928 CB PRO A 58 -9.285 20.919 5.719 1.00 0.00 C ATOM 929 CG PRO A 58 -7.906 20.426 5.410 1.00 0.00 C ATOM 930 CD PRO A 58 -8.019 19.710 4.078 1.00 0.00 C ATOM 0 HA PRO A 58 -10.984 21.015 4.311 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.254 21.804 6.355 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.864 20.164 6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.198 21.253 5.352 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.547 19.752 6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.090 19.767 3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.249 18.653 4.208 1.00 0.00 H new ATOM 938 N ASP A 59 -10.723 23.548 4.562 1.00 0.00 N ATOM 939 CA ASP A 59 -10.714 25.022 4.413 1.00 0.00 C ATOM 940 C ASP A 59 -9.345 25.611 4.826 1.00 0.00 C ATOM 941 O ASP A 59 -8.811 26.507 4.162 1.00 0.00 O ATOM 942 CB ASP A 59 -11.847 25.632 5.273 1.00 0.00 C ATOM 943 CG ASP A 59 -11.953 27.165 5.180 1.00 0.00 C ATOM 944 OD1 ASP A 59 -12.474 27.677 4.164 1.00 0.00 O ATOM 945 OD2 ASP A 59 -11.511 27.865 6.120 1.00 0.00 O ATOM 0 H ASP A 59 -11.484 23.201 5.147 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.881 25.272 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.797 25.194 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.688 25.352 6.314 1.00 0.00 H new ATOM 950 N SER A 60 -8.785 25.046 5.908 1.00 0.00 N ATOM 951 CA SER A 60 -7.479 25.444 6.463 1.00 0.00 C ATOM 952 C SER A 60 -6.297 25.076 5.533 1.00 0.00 C ATOM 953 O SER A 60 -5.193 25.597 5.711 1.00 0.00 O ATOM 954 CB SER A 60 -7.308 24.788 7.847 1.00 0.00 C ATOM 955 OG SER A 60 -8.398 25.117 8.698 1.00 0.00 O ATOM 0 H SER A 60 -9.231 24.291 6.429 1.00 0.00 H new ATOM 0 HA SER A 60 -7.465 26.530 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.241 23.706 7.736 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.374 25.121 8.300 1.00 0.00 H new ATOM 0 HG SER A 60 -8.272 24.690 9.571 1.00 0.00 H new ATOM 961 N LYS A 61 -6.533 24.175 4.553 1.00 0.00 N ATOM 962 CA LYS A 61 -5.514 23.758 3.552 1.00 0.00 C ATOM 963 C LYS A 61 -5.948 24.095 2.118 1.00 0.00 C ATOM 964 O LYS A 61 -5.372 23.573 1.164 1.00 0.00 O ATOM 965 CB LYS A 61 -5.179 22.229 3.678 1.00 0.00 C ATOM 966 CG LYS A 61 -3.833 21.940 4.366 1.00 0.00 C ATOM 967 CD LYS A 61 -3.781 22.400 5.844 1.00 0.00 C ATOM 968 CE LYS A 61 -2.347 22.427 6.386 1.00 0.00 C ATOM 969 NZ LYS A 61 -2.302 22.755 7.833 1.00 0.00 N ATOM 0 H LYS A 61 -7.434 23.714 4.430 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.610 24.326 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.975 21.738 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.169 21.786 2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.633 20.869 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.037 22.437 3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.220 23.394 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.387 21.730 6.454 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.879 21.457 6.220 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.764 23.161 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.314 22.762 8.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.725 23.692 7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.836 22.041 8.368 1.00 0.00 H new ATOM 983 N LEU A 62 -6.917 24.996 1.960 1.00 0.00 N ATOM 984 CA LEU A 62 -7.384 25.419 0.621 1.00 0.00 C ATOM 985 C LEU A 62 -6.579 26.666 0.199 1.00 0.00 C ATOM 986 O LEU A 62 -7.075 27.797 0.218 1.00 0.00 O ATOM 987 CB LEU A 62 -8.937 25.656 0.601 1.00 0.00 C ATOM 988 CG LEU A 62 -9.687 25.237 -0.714 1.00 0.00 C ATOM 989 CD1 LEU A 62 -9.201 26.025 -1.950 1.00 0.00 C ATOM 990 CD2 LEU A 62 -9.576 23.716 -0.945 1.00 0.00 C ATOM 0 H LEU A 62 -7.399 25.452 2.735 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.206 24.627 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.377 25.110 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.124 26.715 0.779 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.738 25.491 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.752 25.696 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.371 27.090 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.136 25.846 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.102 23.448 -1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.526 23.437 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.021 23.187 -0.102 1.00 0.00 H new ATOM 1002 N ASP A 63 -5.309 26.416 -0.137 1.00 0.00 N ATOM 1003 CA ASP A 63 -4.338 27.432 -0.580 1.00 0.00 C ATOM 1004 C ASP A 63 -3.633 26.927 -1.833 1.00 0.00 C ATOM 1005 O ASP A 63 -3.419 25.725 -1.950 1.00 0.00 O ATOM 1006 CB ASP A 63 -3.298 27.712 0.541 1.00 0.00 C ATOM 1007 CG ASP A 63 -2.140 28.627 0.093 1.00 0.00 C ATOM 1008 OD1 ASP A 63 -2.379 29.826 -0.146 1.00 0.00 O ATOM 1009 OD2 ASP A 63 -1.000 28.136 -0.075 1.00 0.00 O ATOM 0 H ASP A 63 -4.914 25.476 -0.109 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.861 28.362 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.805 28.171 1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.887 26.764 0.889 1.00 0.00 H new ATOM 1014 N GLY A 64 -3.224 27.873 -2.712 1.00 0.00 N ATOM 1015 CA GLY A 64 -2.595 27.580 -4.006 1.00 0.00 C ATOM 1016 C GLY A 64 -1.459 26.557 -3.943 1.00 0.00 C ATOM 1017 O GLY A 64 -1.389 25.686 -4.794 1.00 0.00 O ATOM 0 H GLY A 64 -3.327 28.872 -2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.359 27.214 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.208 28.508 -4.426 1.00 0.00 H new ATOM 1021 N ALA A 65 -0.613 26.635 -2.891 1.00 0.00 N ATOM 1022 CA ALA A 65 0.510 25.685 -2.679 1.00 0.00 C ATOM 1023 C ALA A 65 -0.001 24.244 -2.472 1.00 0.00 C ATOM 1024 O ALA A 65 0.481 23.298 -3.109 1.00 0.00 O ATOM 1025 CB ALA A 65 1.344 26.126 -1.468 1.00 0.00 C ATOM 0 H ALA A 65 -0.686 27.351 -2.168 1.00 0.00 H new ATOM 0 HA ALA A 65 1.133 25.694 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 65 2.166 25.426 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.745 27.124 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.714 26.142 -0.579 1.00 0.00 H new ATOM 1031 N ASN A 66 -0.998 24.108 -1.591 1.00 0.00 N ATOM 1032 CA ASN A 66 -1.593 22.803 -1.211 1.00 0.00 C ATOM 1033 C ASN A 66 -2.394 22.197 -2.382 1.00 0.00 C ATOM 1034 O ASN A 66 -2.467 20.965 -2.528 1.00 0.00 O ATOM 1035 CB ASN A 66 -2.509 22.992 0.020 1.00 0.00 C ATOM 1036 CG ASN A 66 -1.785 23.598 1.227 1.00 0.00 C ATOM 1037 OD1 ASN A 66 -0.605 23.339 1.459 1.00 0.00 O ATOM 1038 ND2 ASN A 66 -2.475 24.434 1.982 1.00 0.00 N ATOM 0 H ASN A 66 -1.425 24.901 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.787 22.112 -0.963 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.345 23.635 -0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.928 22.027 0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.030 24.884 2.782 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.452 24.629 1.765 1.00 0.00 H new ATOM 1045 N ILE A 67 -3.008 23.086 -3.191 1.00 0.00 N ATOM 1046 CA ILE A 67 -3.692 22.724 -4.444 1.00 0.00 C ATOM 1047 C ILE A 67 -2.678 22.094 -5.421 1.00 0.00 C ATOM 1048 O ILE A 67 -2.900 20.999 -5.946 1.00 0.00 O ATOM 1049 CB ILE A 67 -4.351 23.989 -5.128 1.00 0.00 C ATOM 1050 CG1 ILE A 67 -5.397 24.688 -4.199 1.00 0.00 C ATOM 1051 CG2 ILE A 67 -4.987 23.612 -6.478 1.00 0.00 C ATOM 1052 CD1 ILE A 67 -6.613 23.861 -3.865 1.00 0.00 C ATOM 0 H ILE A 67 -3.041 24.085 -2.988 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.481 22.011 -4.204 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.551 24.707 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.902 24.970 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.725 25.611 -4.678 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.434 24.498 -6.930 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.221 23.213 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.758 22.858 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.276 24.434 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.139 23.600 -4.783 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.304 22.950 -3.353 1.00 0.00 H new ATOM 1064 N LYS A 68 -1.554 22.812 -5.616 1.00 0.00 N ATOM 1065 CA LYS A 68 -0.435 22.392 -6.487 1.00 0.00 C ATOM 1066 C LYS A 68 0.139 21.037 -6.058 1.00 0.00 C ATOM 1067 O LYS A 68 0.584 20.256 -6.901 1.00 0.00 O ATOM 1068 CB LYS A 68 0.682 23.472 -6.458 1.00 0.00 C ATOM 1069 CG LYS A 68 0.316 24.771 -7.198 1.00 0.00 C ATOM 1070 CD LYS A 68 1.378 25.879 -7.053 1.00 0.00 C ATOM 1071 CE LYS A 68 0.944 27.189 -7.738 1.00 0.00 C ATOM 1072 NZ LYS A 68 1.917 28.284 -7.514 1.00 0.00 N ATOM 0 H LYS A 68 -1.394 23.714 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.820 22.283 -7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.916 23.711 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.587 23.056 -6.901 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.174 24.550 -8.256 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.637 25.140 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.563 26.067 -5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.319 25.538 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.832 27.018 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.033 27.489 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.586 29.146 -7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.006 28.466 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.843 28.009 -7.899 1.00 0.00 H new ATOM 1086 N HIS A 69 0.113 20.779 -4.742 1.00 0.00 N ATOM 1087 CA HIS A 69 0.621 19.534 -4.149 1.00 0.00 C ATOM 1088 C HIS A 69 -0.314 18.346 -4.485 1.00 0.00 C ATOM 1089 O HIS A 69 0.160 17.249 -4.812 1.00 0.00 O ATOM 1090 CB HIS A 69 0.780 19.710 -2.621 1.00 0.00 C ATOM 1091 CG HIS A 69 1.617 18.640 -1.977 1.00 0.00 C ATOM 1092 ND1 HIS A 69 1.128 17.735 -1.063 1.00 0.00 N ATOM 1093 CD2 HIS A 69 2.929 18.350 -2.118 1.00 0.00 C ATOM 1094 CE1 HIS A 69 2.100 16.941 -0.673 1.00 0.00 C ATOM 1095 NE2 HIS A 69 3.201 17.287 -1.305 1.00 0.00 N ATOM 0 H HIS A 69 -0.264 21.433 -4.055 1.00 0.00 H new ATOM 0 HA HIS A 69 1.599 19.310 -4.574 1.00 0.00 H new ATOM 0 HB2 HIS A 69 1.230 20.682 -2.420 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.207 19.715 -2.159 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.633 18.864 -2.756 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.010 16.139 0.045 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.110 16.835 -1.204 1.00 0.00 H new ATOM 1104 N ARG A 70 -1.644 18.593 -4.421 1.00 0.00 N ATOM 1105 CA ARG A 70 -2.678 17.617 -4.858 1.00 0.00 C ATOM 1106 C ARG A 70 -2.455 17.231 -6.330 1.00 0.00 C ATOM 1107 O ARG A 70 -2.436 16.042 -6.675 1.00 0.00 O ATOM 1108 CB ARG A 70 -4.124 18.196 -4.682 1.00 0.00 C ATOM 1109 CG ARG A 70 -4.729 18.067 -3.269 1.00 0.00 C ATOM 1110 CD ARG A 70 -4.886 16.596 -2.831 1.00 0.00 C ATOM 1111 NE ARG A 70 -5.672 16.458 -1.586 1.00 0.00 N ATOM 1112 CZ ARG A 70 -5.438 15.561 -0.612 1.00 0.00 C ATOM 1113 NH1 ARG A 70 -4.385 14.753 -0.669 1.00 0.00 N ATOM 1114 NH2 ARG A 70 -6.268 15.484 0.419 1.00 0.00 N ATOM 0 H ARG A 70 -2.031 19.468 -4.068 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.584 16.732 -4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.109 19.251 -4.956 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.785 17.693 -5.388 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.093 18.590 -2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.703 18.556 -3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.371 16.033 -3.628 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.899 16.156 -2.685 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.457 17.096 -1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.742 14.808 -1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.220 14.077 0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.077 16.103 0.469 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.097 14.806 1.162 1.00 0.00 H new ATOM 1128 N LEU A 71 -2.253 18.265 -7.164 1.00 0.00 N ATOM 1129 CA LEU A 71 -2.024 18.112 -8.608 1.00 0.00 C ATOM 1130 C LEU A 71 -0.701 17.375 -8.886 1.00 0.00 C ATOM 1131 O LEU A 71 -0.613 16.595 -9.837 1.00 0.00 O ATOM 1132 CB LEU A 71 -2.000 19.499 -9.302 1.00 0.00 C ATOM 1133 CG LEU A 71 -3.272 20.394 -9.141 1.00 0.00 C ATOM 1134 CD1 LEU A 71 -3.195 21.638 -10.048 1.00 0.00 C ATOM 1135 CD2 LEU A 71 -4.573 19.604 -9.390 1.00 0.00 C ATOM 0 H LEU A 71 -2.244 19.236 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.844 17.519 -9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.144 20.055 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.828 19.342 -10.367 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.296 20.731 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.093 22.241 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.318 22.228 -9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.119 21.325 -11.089 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.430 20.266 -9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.567 19.203 -10.403 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.643 18.784 -8.676 1.00 0.00 H new ATOM 1147 N ALA A 72 0.305 17.639 -8.032 1.00 0.00 N ATOM 1148 CA ALA A 72 1.657 17.081 -8.158 1.00 0.00 C ATOM 1149 C ALA A 72 1.648 15.553 -8.008 1.00 0.00 C ATOM 1150 O ALA A 72 2.054 14.828 -8.926 1.00 0.00 O ATOM 1151 CB ALA A 72 2.602 17.728 -7.131 1.00 0.00 C ATOM 0 H ALA A 72 0.197 18.254 -7.226 1.00 0.00 H new ATOM 0 HA ALA A 72 2.024 17.310 -9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.600 17.304 -7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.645 18.804 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.231 17.536 -6.124 1.00 0.00 H new ATOM 1157 N LEU A 73 1.152 15.065 -6.855 1.00 0.00 N ATOM 1158 CA LEU A 73 1.086 13.612 -6.590 1.00 0.00 C ATOM 1159 C LEU A 73 0.056 12.916 -7.490 1.00 0.00 C ATOM 1160 O LEU A 73 0.233 11.730 -7.808 1.00 0.00 O ATOM 1161 CB LEU A 73 0.818 13.283 -5.099 1.00 0.00 C ATOM 1162 CG LEU A 73 2.008 13.575 -4.121 1.00 0.00 C ATOM 1163 CD1 LEU A 73 2.077 15.060 -3.729 1.00 0.00 C ATOM 1164 CD2 LEU A 73 1.962 12.657 -2.884 1.00 0.00 C ATOM 0 H LEU A 73 0.794 15.647 -6.098 1.00 0.00 H new ATOM 0 HA LEU A 73 2.074 13.220 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.050 13.854 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.555 12.228 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 73 2.929 13.347 -4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.915 15.219 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.215 15.667 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.150 15.349 -3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.802 12.888 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.027 12.817 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.024 11.616 -3.201 1.00 0.00 H new ATOM 1176 N TRP A 74 -1.006 13.655 -7.907 1.00 0.00 N ATOM 1177 CA TRP A 74 -2.001 13.127 -8.858 1.00 0.00 C ATOM 1178 C TRP A 74 -1.321 12.725 -10.167 1.00 0.00 C ATOM 1179 O TRP A 74 -1.384 11.566 -10.565 1.00 0.00 O ATOM 1180 CB TRP A 74 -3.139 14.140 -9.175 1.00 0.00 C ATOM 1181 CG TRP A 74 -4.069 13.648 -10.271 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -4.969 12.624 -10.190 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -4.143 14.130 -11.625 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -5.590 12.441 -11.400 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -5.103 13.354 -12.292 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -3.487 15.144 -12.330 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -5.428 13.556 -13.626 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -3.812 15.350 -13.656 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -4.772 14.557 -14.291 1.00 0.00 C ATOM 0 H TRP A 74 -1.188 14.610 -7.598 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.452 12.260 -8.376 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.717 14.327 -8.270 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.700 15.092 -9.475 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.164 12.042 -9.301 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -6.300 11.737 -11.601 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.740 15.755 -11.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -6.170 12.947 -14.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.318 16.134 -14.210 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.002 14.738 -15.331 1.00 0.00 H new ATOM 1200 N ILE A 75 -0.674 13.708 -10.820 1.00 0.00 N ATOM 1201 CA ILE A 75 -0.080 13.525 -12.147 1.00 0.00 C ATOM 1202 C ILE A 75 1.110 12.560 -12.077 1.00 0.00 C ATOM 1203 O ILE A 75 1.355 11.824 -13.020 1.00 0.00 O ATOM 1204 CB ILE A 75 0.346 14.888 -12.818 1.00 0.00 C ATOM 1205 CG1 ILE A 75 0.722 14.687 -14.322 1.00 0.00 C ATOM 1206 CG2 ILE A 75 1.504 15.557 -12.050 1.00 0.00 C ATOM 1207 CD1 ILE A 75 -0.365 14.047 -15.171 1.00 0.00 C ATOM 0 H ILE A 75 -0.551 14.646 -10.440 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.853 13.091 -12.782 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.515 15.555 -12.772 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.975 15.656 -14.751 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.618 14.069 -14.378 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.772 16.493 -12.539 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.192 15.759 -11.025 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.367 14.892 -12.042 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.014 13.948 -16.198 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.604 13.061 -14.773 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.257 14.673 -15.152 1.00 0.00 H new ATOM 1219 N HIS A 76 1.812 12.537 -10.928 1.00 0.00 N ATOM 1220 CA HIS A 76 2.955 11.636 -10.724 1.00 0.00 C ATOM 1221 C HIS A 76 2.467 10.174 -10.630 1.00 0.00 C ATOM 1222 O HIS A 76 3.172 9.253 -11.033 1.00 0.00 O ATOM 1223 CB HIS A 76 3.773 12.040 -9.464 1.00 0.00 C ATOM 1224 CG HIS A 76 5.217 11.620 -9.549 1.00 0.00 C ATOM 1225 ND1 HIS A 76 5.870 10.899 -8.579 1.00 0.00 N ATOM 1226 CD2 HIS A 76 6.130 11.840 -10.526 1.00 0.00 C ATOM 1227 CE1 HIS A 76 7.116 10.698 -8.958 1.00 0.00 C ATOM 1228 NE2 HIS A 76 7.302 11.252 -10.138 1.00 0.00 N ATOM 0 H HIS A 76 1.605 13.134 -10.128 1.00 0.00 H new ATOM 0 HA HIS A 76 3.621 11.723 -11.582 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.720 13.121 -9.333 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.319 11.589 -8.581 1.00 0.00 H new ATOM 0 HD1 HIS A 76 5.457 10.572 -7.706 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.962 12.382 -11.445 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.865 10.164 -8.391 1.00 0.00 H new ATOM 1237 N ALA A 77 1.249 9.988 -10.086 1.00 0.00 N ATOM 1238 CA ALA A 77 0.576 8.676 -10.039 1.00 0.00 C ATOM 1239 C ALA A 77 -0.179 8.376 -11.357 1.00 0.00 C ATOM 1240 O ALA A 77 -0.407 7.213 -11.689 1.00 0.00 O ATOM 1241 CB ALA A 77 -0.383 8.630 -8.842 1.00 0.00 C ATOM 0 H ALA A 77 0.705 10.742 -9.667 1.00 0.00 H new ATOM 0 HA ALA A 77 1.337 7.905 -9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.879 7.660 -8.810 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.178 8.781 -7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.131 9.416 -8.945 1.00 0.00 H new ATOM 1247 N ALA A 78 -0.561 9.436 -12.089 1.00 0.00 N ATOM 1248 CA ALA A 78 -1.318 9.318 -13.359 1.00 0.00 C ATOM 1249 C ALA A 78 -0.386 8.898 -14.506 1.00 0.00 C ATOM 1250 O ALA A 78 -0.805 8.206 -15.435 1.00 0.00 O ATOM 1251 CB ALA A 78 -2.038 10.640 -13.687 1.00 0.00 C ATOM 0 H ALA A 78 -0.357 10.399 -11.823 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.075 8.543 -13.239 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.588 10.533 -14.622 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.733 10.885 -12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.304 11.439 -13.787 1.00 0.00 H new ATOM 1257 N LEU A 79 0.880 9.343 -14.417 1.00 0.00 N ATOM 1258 CA LEU A 79 1.957 8.916 -15.316 1.00 0.00 C ATOM 1259 C LEU A 79 2.297 7.435 -15.027 1.00 0.00 C ATOM 1260 O LEU A 79 2.629 7.120 -13.872 1.00 0.00 O ATOM 1261 CB LEU A 79 3.198 9.832 -15.124 1.00 0.00 C ATOM 1262 CG LEU A 79 3.028 11.319 -15.599 1.00 0.00 C ATOM 1263 CD1 LEU A 79 4.246 12.186 -15.199 1.00 0.00 C ATOM 1264 CD2 LEU A 79 2.753 11.398 -17.124 1.00 0.00 C ATOM 0 H LEU A 79 1.183 10.015 -13.712 1.00 0.00 H new ATOM 0 HA LEU A 79 1.638 9.003 -16.355 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.463 9.836 -14.067 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.038 9.392 -15.662 1.00 0.00 H new ATOM 0 HG LEU A 79 2.156 11.727 -15.087 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.094 13.209 -15.544 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.355 12.181 -14.115 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.148 11.779 -15.656 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.640 12.441 -17.420 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.587 10.955 -17.668 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.838 10.854 -17.357 1.00 0.00 H new ATOM 1276 N PRO A 80 2.160 6.509 -16.049 1.00 0.00 N ATOM 1277 CA PRO A 80 2.417 5.049 -15.891 1.00 0.00 C ATOM 1278 C PRO A 80 3.746 4.717 -15.181 1.00 0.00 C ATOM 1279 O PRO A 80 3.773 3.960 -14.201 1.00 0.00 O ATOM 1280 CB PRO A 80 2.415 4.537 -17.357 1.00 0.00 C ATOM 1281 CG PRO A 80 1.460 5.451 -18.052 1.00 0.00 C ATOM 1282 CD PRO A 80 1.692 6.817 -17.434 1.00 0.00 C ATOM 0 HA PRO A 80 1.671 4.578 -15.251 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.410 4.586 -17.799 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.091 3.498 -17.418 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.644 5.469 -19.126 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.430 5.125 -17.910 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.437 7.386 -17.990 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.779 7.412 -17.424 1.00 0.00 H new ATOM 1290 N ASP A 81 4.832 5.332 -15.660 1.00 0.00 N ATOM 1291 CA ASP A 81 6.196 5.075 -15.159 1.00 0.00 C ATOM 1292 C ASP A 81 6.511 5.893 -13.893 1.00 0.00 C ATOM 1293 O ASP A 81 7.582 5.712 -13.303 1.00 0.00 O ATOM 1294 CB ASP A 81 7.229 5.397 -16.267 1.00 0.00 C ATOM 1295 CG ASP A 81 7.026 4.569 -17.541 1.00 0.00 C ATOM 1296 OD1 ASP A 81 6.163 4.935 -18.372 1.00 0.00 O ATOM 1297 OD2 ASP A 81 7.709 3.530 -17.708 1.00 0.00 O ATOM 0 H ASP A 81 4.795 6.025 -16.408 1.00 0.00 H new ATOM 0 HA ASP A 81 6.257 4.020 -14.890 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.167 6.456 -16.516 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.233 5.219 -15.882 1.00 0.00 H new ATOM 1302 N ASN A 82 5.548 6.755 -13.474 1.00 0.00 N ATOM 1303 CA ASN A 82 5.723 7.746 -12.383 1.00 0.00 C ATOM 1304 C ASN A 82 6.888 8.681 -12.752 1.00 0.00 C ATOM 1305 O ASN A 82 7.760 8.977 -11.930 1.00 0.00 O ATOM 1306 CB ASN A 82 5.926 7.069 -10.983 1.00 0.00 C ATOM 1307 CG ASN A 82 4.694 6.340 -10.418 1.00 0.00 C ATOM 1308 OD1 ASN A 82 4.501 6.296 -9.200 1.00 0.00 O ATOM 1309 ND2 ASN A 82 3.862 5.739 -11.275 1.00 0.00 N ATOM 0 H ASN A 82 4.617 6.780 -13.891 1.00 0.00 H new ATOM 0 HA ASN A 82 4.808 8.331 -12.285 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.746 6.355 -11.059 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.234 7.834 -10.270 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.049 5.232 -10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.040 5.788 -12.278 1.00 0.00 H new ATOM 1316 N ASP A 83 6.823 9.151 -14.010 1.00 0.00 N ATOM 1317 CA ASP A 83 7.904 9.856 -14.731 1.00 0.00 C ATOM 1318 C ASP A 83 8.411 11.107 -13.973 1.00 0.00 C ATOM 1319 O ASP A 83 7.647 11.711 -13.223 1.00 0.00 O ATOM 1320 CB ASP A 83 7.376 10.248 -16.140 1.00 0.00 C ATOM 1321 CG ASP A 83 6.905 9.033 -16.966 1.00 0.00 C ATOM 1322 OD1 ASP A 83 5.825 8.479 -16.657 1.00 0.00 O ATOM 1323 OD2 ASP A 83 7.618 8.611 -17.903 1.00 0.00 O ATOM 0 H ASP A 83 5.982 9.047 -14.578 1.00 0.00 H new ATOM 0 HA ASP A 83 8.759 9.185 -14.813 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.548 10.949 -16.030 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.163 10.768 -16.685 1.00 0.00 H new ATOM 1328 N PRO A 84 9.718 11.494 -14.136 1.00 0.00 N ATOM 1329 CA PRO A 84 10.310 12.661 -13.429 1.00 0.00 C ATOM 1330 C PRO A 84 10.009 14.018 -14.113 1.00 0.00 C ATOM 1331 O PRO A 84 10.410 15.064 -13.595 1.00 0.00 O ATOM 1332 CB PRO A 84 11.814 12.319 -13.460 1.00 0.00 C ATOM 1333 CG PRO A 84 12.001 11.624 -14.779 1.00 0.00 C ATOM 1334 CD PRO A 84 10.735 10.813 -14.993 1.00 0.00 C ATOM 0 HA PRO A 84 9.901 12.800 -12.428 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.429 13.216 -13.391 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.094 11.675 -12.626 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.147 12.344 -15.585 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.881 10.981 -14.763 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.436 10.810 -16.041 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.873 9.773 -14.698 1.00 0.00 H new ATOM 1342 N LEU A 85 9.303 13.968 -15.272 1.00 0.00 N ATOM 1343 CA LEU A 85 8.859 15.155 -16.055 1.00 0.00 C ATOM 1344 C LEU A 85 10.032 15.996 -16.603 1.00 0.00 C ATOM 1345 O LEU A 85 9.845 17.152 -17.000 1.00 0.00 O ATOM 1346 CB LEU A 85 7.855 16.045 -15.255 1.00 0.00 C ATOM 1347 CG LEU A 85 6.502 15.358 -14.835 1.00 0.00 C ATOM 1348 CD1 LEU A 85 6.613 14.623 -13.483 1.00 0.00 C ATOM 1349 CD2 LEU A 85 5.348 16.364 -14.815 1.00 0.00 C ATOM 0 H LEU A 85 9.020 13.086 -15.698 1.00 0.00 H new ATOM 0 HA LEU A 85 8.333 14.752 -16.920 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.354 16.399 -14.353 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.621 16.924 -15.856 1.00 0.00 H new ATOM 0 HG LEU A 85 6.286 14.606 -15.594 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.654 14.166 -13.238 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.377 13.849 -13.551 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.886 15.334 -12.704 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.429 15.857 -14.521 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.569 17.157 -14.101 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.223 16.795 -15.809 1.00 0.00 H new ATOM 1361 N LYS A 86 11.229 15.387 -16.667 1.00 0.00 N ATOM 1362 CA LYS A 86 12.449 16.055 -17.155 1.00 0.00 C ATOM 1363 C LYS A 86 12.359 16.155 -18.707 1.00 0.00 C ATOM 1364 O LYS A 86 12.526 15.118 -19.385 1.00 0.00 O ATOM 1365 CB LYS A 86 13.713 15.259 -16.668 1.00 0.00 C ATOM 1366 CG LYS A 86 15.080 16.017 -16.732 1.00 0.00 C ATOM 1367 CD LYS A 86 15.612 16.270 -18.169 1.00 0.00 C ATOM 1368 CE LYS A 86 16.939 17.050 -18.203 1.00 0.00 C ATOM 1369 NZ LYS A 86 17.326 17.413 -19.592 1.00 0.00 N ATOM 1370 OXT LYS A 86 12.115 17.258 -19.237 1.00 0.00 O ATOM 0 H LYS A 86 11.378 14.419 -16.382 1.00 0.00 H new ATOM 0 HA LYS A 86 12.540 17.065 -16.755 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.544 14.946 -15.638 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.797 14.352 -17.267 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.973 16.976 -16.224 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.824 15.444 -16.179 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.749 15.312 -18.671 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.861 16.821 -18.734 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.845 17.955 -17.603 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.727 16.448 -17.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.224 17.937 -19.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.440 16.548 -20.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 16.585 18.008 -20.014 1.00 0.00 H new TER 1384 LYS A 86