USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 hydrogens (21 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 7 LYS NZ :NH3+ -143:sc= 1.11 (180deg=-0.255) USER MOD Set 1.2: A 77 SER OG : rot -77:sc= -0.939 USER MOD Set 2.1: A 41 ASN : amide:sc= 0.14 X(o=-1.1,f=-1.4) USER MOD Set 2.2: A 44 ASN : amide:sc= -1.28! C(o=-1.1!,f=-5.6!) USER MOD Single : A 1 MET CE :methyl -170:sc= -0.0945 (180deg=-0.243) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00142) USER MOD Single : A 9 LYS NZ :NH3+ 172:sc= -0.379 (180deg=-0.47) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 176:sc= -0.661 (180deg=-0.704) USER MOD Single : A 22 SER OG : rot -55:sc= 0.229 USER MOD Single : A 24 LYS NZ :NH3+ -165:sc= 1.01 (180deg=0.88) USER MOD Single : A 31 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.029) USER MOD Single : A 32 THR OG1 : rot -149:sc= -0.103 USER MOD Single : A 43 MET CE :methyl 148:sc= -0.588 (180deg=-2.38!) USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= -0.773 (180deg=-1.97!) USER MOD Single : A 49 MET CE :methyl -153:sc= -5.3! (180deg=-6.57!) USER MOD Single : A 51 TYR OH : rot 134:sc= -0.0186 USER MOD Single : A 56 MET CE :methyl 166:sc= -1.76! (180deg=-2.2!) USER MOD Single : A 59 SER OG : rot 40:sc= 0.084 USER MOD Single : A 62 SER OG : rot 180:sc= 0.016 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -2.1 K(o=-2.1,f=-4.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0562 USER MOD Single : A 68 LYS NZ :NH3+ -155:sc= -0.0631 (180deg=-0.17) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.4) USER MOD Single : A 79 THR OG1 : rot 170:sc= 0.509 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -62:sc= 1.24 USER MOD Single : A 101 PNS O33 : rot 110:sc= 0.0788 USER MOD Single : A 101 PNS S44 : rot 164:sc= -4.12! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.459 10.246 -1.904 1.00 0.00 N ATOM 2 CA MET A 1 13.682 9.963 -2.686 1.00 0.00 C ATOM 3 C MET A 1 13.849 8.444 -2.846 1.00 0.00 C ATOM 4 O MET A 1 13.985 7.931 -3.961 1.00 0.00 O ATOM 5 CB MET A 1 14.925 10.614 -2.003 1.00 0.00 C ATOM 6 CG MET A 1 16.218 10.623 -2.853 1.00 0.00 C ATOM 7 SD MET A 1 16.958 8.984 -3.094 1.00 0.00 S ATOM 8 CE MET A 1 17.501 8.552 -1.437 1.00 0.00 C ATOM 0 H1 MET A 1 12.337 11.275 -1.810 1.00 0.00 H new ATOM 0 H2 MET A 1 11.634 9.842 -2.392 1.00 0.00 H new ATOM 0 H3 MET A 1 12.545 9.820 -0.959 1.00 0.00 H new ATOM 0 HA MET A 1 13.592 10.401 -3.680 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.677 11.642 -1.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.126 10.085 -1.072 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.996 11.056 -3.828 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.950 11.273 -2.374 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.124 7.658 -1.480 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.077 9.376 -1.016 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.632 8.359 -0.808 1.00 0.00 H new ATOM 20 N ASP A 2 13.819 7.735 -1.712 1.00 0.00 N ATOM 21 CA ASP A 2 14.072 6.273 -1.646 1.00 0.00 C ATOM 22 C ASP A 2 12.754 5.484 -1.553 1.00 0.00 C ATOM 23 O ASP A 2 11.841 5.859 -0.822 1.00 0.00 O ATOM 24 CB ASP A 2 15.053 5.912 -0.475 1.00 0.00 C ATOM 25 CG ASP A 2 14.836 6.662 0.859 1.00 0.00 C ATOM 26 OD1 ASP A 2 14.865 7.907 0.867 1.00 0.00 O ATOM 27 OD2 ASP A 2 14.707 6.014 1.917 1.00 0.00 O ATOM 0 H ASP A 2 13.618 8.153 -0.803 1.00 0.00 H new ATOM 0 HA ASP A 2 14.562 5.979 -2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 2 14.976 4.842 -0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 2 16.072 6.102 -0.812 1.00 0.00 H new ATOM 32 N GLY A 3 12.693 4.367 -2.311 1.00 0.00 N ATOM 33 CA GLY A 3 11.496 3.518 -2.410 1.00 0.00 C ATOM 34 C GLY A 3 11.263 2.636 -1.188 1.00 0.00 C ATOM 35 O GLY A 3 10.185 2.049 -1.026 1.00 0.00 O ATOM 0 H GLY A 3 13.477 4.032 -2.871 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.623 4.153 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.584 2.884 -3.292 1.00 0.00 H new ATOM 39 N GLU A 4 12.292 2.533 -0.332 1.00 0.00 N ATOM 40 CA GLU A 4 12.200 1.848 0.967 1.00 0.00 C ATOM 41 C GLU A 4 11.349 2.668 1.960 1.00 0.00 C ATOM 42 O GLU A 4 10.706 2.094 2.849 1.00 0.00 O ATOM 43 CB GLU A 4 13.614 1.574 1.525 1.00 0.00 C ATOM 44 CG GLU A 4 14.473 2.834 1.700 1.00 0.00 C ATOM 45 CD GLU A 4 15.908 2.527 2.140 1.00 0.00 C ATOM 46 OE1 GLU A 4 16.133 2.312 3.349 1.00 0.00 O ATOM 47 OE2 GLU A 4 16.815 2.481 1.281 1.00 0.00 O ATOM 0 H GLU A 4 13.215 2.924 -0.522 1.00 0.00 H new ATOM 0 HA GLU A 4 11.701 0.889 0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.522 1.073 2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.130 0.885 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.498 3.383 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.005 3.486 2.437 1.00 0.00 H new ATOM 54 N GLU A 5 11.342 4.013 1.779 1.00 0.00 N ATOM 55 CA GLU A 5 10.432 4.925 2.498 1.00 0.00 C ATOM 56 C GLU A 5 8.969 4.599 2.181 1.00 0.00 C ATOM 57 O GLU A 5 8.117 4.683 3.062 1.00 0.00 O ATOM 58 CB GLU A 5 10.724 6.423 2.144 1.00 0.00 C ATOM 59 CG GLU A 5 11.822 7.092 2.978 1.00 0.00 C ATOM 60 CD GLU A 5 11.555 7.041 4.492 1.00 0.00 C ATOM 61 OE1 GLU A 5 10.456 7.445 4.921 1.00 0.00 O ATOM 62 OE2 GLU A 5 12.436 6.600 5.258 1.00 0.00 O ATOM 0 H GLU A 5 11.968 4.490 1.130 1.00 0.00 H new ATOM 0 HA GLU A 5 10.608 4.780 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.003 6.483 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.803 6.993 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.775 6.606 2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 5 11.920 8.133 2.669 1.00 0.00 H new ATOM 69 N VAL A 6 8.711 4.222 0.920 1.00 0.00 N ATOM 70 CA VAL A 6 7.360 3.879 0.434 1.00 0.00 C ATOM 71 C VAL A 6 6.844 2.627 1.164 1.00 0.00 C ATOM 72 O VAL A 6 5.747 2.646 1.736 1.00 0.00 O ATOM 73 CB VAL A 6 7.362 3.638 -1.125 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.941 3.384 -1.677 1.00 0.00 C ATOM 75 CG2 VAL A 6 8.074 4.795 -1.872 1.00 0.00 C ATOM 0 H VAL A 6 9.433 4.145 0.204 1.00 0.00 H new ATOM 0 HA VAL A 6 6.696 4.718 0.645 1.00 0.00 H new ATOM 0 HB VAL A 6 7.933 2.728 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.992 3.223 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.517 2.501 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.310 4.248 -1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.059 4.600 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.558 5.733 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.107 4.867 -1.531 1.00 0.00 H new ATOM 85 N LYS A 7 7.685 1.579 1.187 1.00 0.00 N ATOM 86 CA LYS A 7 7.380 0.297 1.861 1.00 0.00 C ATOM 87 C LYS A 7 7.051 0.510 3.348 1.00 0.00 C ATOM 88 O LYS A 7 6.011 0.066 3.840 1.00 0.00 O ATOM 89 CB LYS A 7 8.582 -0.698 1.701 1.00 0.00 C ATOM 90 CG LYS A 7 8.576 -1.496 0.377 1.00 0.00 C ATOM 91 CD LYS A 7 9.867 -2.285 0.100 1.00 0.00 C ATOM 92 CE LYS A 7 11.030 -1.377 -0.323 1.00 0.00 C ATOM 93 NZ LYS A 7 10.753 -0.654 -1.598 1.00 0.00 N ATOM 0 H LYS A 7 8.601 1.593 0.738 1.00 0.00 H new ATOM 0 HA LYS A 7 6.499 -0.133 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.514 -0.137 1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.571 -1.400 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.737 -2.191 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.404 -0.805 -0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.150 -2.839 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.680 -3.019 -0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.227 -0.652 0.467 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.933 -1.977 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.628 -0.587 -2.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.034 -1.172 -2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.404 0.302 -1.386 1.00 0.00 H new ATOM 107 N GLU A 8 7.933 1.250 4.012 1.00 0.00 N ATOM 108 CA GLU A 8 7.896 1.501 5.448 1.00 0.00 C ATOM 109 C GLU A 8 6.664 2.354 5.849 1.00 0.00 C ATOM 110 O GLU A 8 5.970 2.019 6.823 1.00 0.00 O ATOM 111 CB GLU A 8 9.264 2.172 5.803 1.00 0.00 C ATOM 112 CG GLU A 8 9.372 2.884 7.154 1.00 0.00 C ATOM 113 CD GLU A 8 9.233 1.963 8.369 1.00 0.00 C ATOM 114 OE1 GLU A 8 10.081 1.067 8.560 1.00 0.00 O ATOM 115 OE2 GLU A 8 8.271 2.112 9.138 1.00 0.00 O ATOM 0 H GLU A 8 8.719 1.707 3.550 1.00 0.00 H new ATOM 0 HA GLU A 8 7.775 0.580 6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.036 1.403 5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.497 2.896 5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.335 3.392 7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.602 3.654 7.207 1.00 0.00 H new ATOM 122 N LYS A 9 6.386 3.418 5.070 1.00 0.00 N ATOM 123 CA LYS A 9 5.221 4.312 5.284 1.00 0.00 C ATOM 124 C LYS A 9 3.893 3.550 5.214 1.00 0.00 C ATOM 125 O LYS A 9 3.087 3.615 6.151 1.00 0.00 O ATOM 126 CB LYS A 9 5.190 5.457 4.226 1.00 0.00 C ATOM 127 CG LYS A 9 6.098 6.657 4.531 1.00 0.00 C ATOM 128 CD LYS A 9 5.862 7.822 3.541 1.00 0.00 C ATOM 129 CE LYS A 9 6.792 9.010 3.809 1.00 0.00 C ATOM 130 NZ LYS A 9 8.221 8.621 3.688 1.00 0.00 N ATOM 0 H LYS A 9 6.962 3.686 4.272 1.00 0.00 H new ATOM 0 HA LYS A 9 5.338 4.732 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.475 5.043 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.164 5.813 4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.915 7.002 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.141 6.345 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.015 7.467 2.522 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.825 8.152 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.571 9.812 3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.604 9.402 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.818 9.471 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.471 7.974 4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.375 8.146 2.776 1.00 0.00 H new ATOM 144 N ILE A 10 3.679 2.849 4.085 1.00 0.00 N ATOM 145 CA ILE A 10 2.412 2.155 3.803 1.00 0.00 C ATOM 146 C ILE A 10 2.164 1.055 4.844 1.00 0.00 C ATOM 147 O ILE A 10 1.057 0.947 5.370 1.00 0.00 O ATOM 148 CB ILE A 10 2.399 1.537 2.358 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.634 2.646 1.286 1.00 0.00 C ATOM 150 CG2 ILE A 10 1.075 0.767 2.073 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.853 2.129 -0.130 1.00 0.00 C ATOM 0 H ILE A 10 4.376 2.749 3.347 1.00 0.00 H new ATOM 0 HA ILE A 10 1.613 2.894 3.860 1.00 0.00 H new ATOM 0 HB ILE A 10 3.215 0.817 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.775 3.317 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.501 3.238 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.104 0.354 1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.963 -0.043 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.230 1.450 2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.008 2.971 -0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.730 1.482 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.978 1.563 -0.450 1.00 0.00 H new ATOM 163 N ARG A 11 3.238 0.313 5.196 1.00 0.00 N ATOM 164 CA ARG A 11 3.157 -0.863 6.079 1.00 0.00 C ATOM 165 C ARG A 11 2.739 -0.426 7.495 1.00 0.00 C ATOM 166 O ARG A 11 2.083 -1.181 8.218 1.00 0.00 O ATOM 167 CB ARG A 11 4.516 -1.671 6.028 1.00 0.00 C ATOM 168 CG ARG A 11 5.611 -1.398 7.094 1.00 0.00 C ATOM 169 CD ARG A 11 5.397 -2.190 8.418 1.00 0.00 C ATOM 170 NE ARG A 11 6.654 -2.652 9.051 1.00 0.00 N ATOM 171 CZ ARG A 11 7.696 -1.887 9.422 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.678 -0.582 9.237 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.739 -2.444 10.008 1.00 0.00 N ATOM 0 H ARG A 11 4.184 0.516 4.873 1.00 0.00 H new ATOM 0 HA ARG A 11 2.385 -1.550 5.733 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.267 -2.731 6.080 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.963 -1.496 5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.585 -1.656 6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.633 -0.331 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.857 -1.559 9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.765 -3.054 8.215 1.00 0.00 H new ATOM 0 HE ARG A 11 6.738 -3.654 9.223 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.866 -0.139 8.807 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.476 -0.015 9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.752 -3.450 10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.532 -1.869 10.292 1.00 0.00 H new ATOM 187 N ARG A 12 3.116 0.812 7.856 1.00 0.00 N ATOM 188 CA ARG A 12 2.757 1.425 9.129 1.00 0.00 C ATOM 189 C ARG A 12 1.343 1.985 9.099 1.00 0.00 C ATOM 190 O ARG A 12 0.601 1.822 10.068 1.00 0.00 O ATOM 191 CB ARG A 12 3.785 2.532 9.507 1.00 0.00 C ATOM 192 CG ARG A 12 5.154 2.005 9.997 1.00 0.00 C ATOM 193 CD ARG A 12 4.999 0.835 10.970 1.00 0.00 C ATOM 194 NE ARG A 12 6.258 0.389 11.584 1.00 0.00 N ATOM 195 CZ ARG A 12 6.360 -0.675 12.406 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.285 -1.387 12.703 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.528 -1.032 12.912 1.00 0.00 N ATOM 0 H ARG A 12 3.684 1.415 7.261 1.00 0.00 H new ATOM 0 HA ARG A 12 2.784 0.650 9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.947 3.170 8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.352 3.159 10.287 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.749 1.689 9.140 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.701 2.812 10.484 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.305 1.124 11.760 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.548 -0.005 10.441 1.00 0.00 H new ATOM 0 HE ARG A 12 7.106 0.916 11.376 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.379 -1.131 12.310 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.362 -2.192 13.325 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.367 -0.500 12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.590 -1.839 13.532 1.00 0.00 H new ATOM 211 N TYR A 13 0.977 2.619 7.986 1.00 0.00 N ATOM 212 CA TYR A 13 -0.355 3.233 7.805 1.00 0.00 C ATOM 213 C TYR A 13 -1.479 2.181 7.852 1.00 0.00 C ATOM 214 O TYR A 13 -2.600 2.468 8.298 1.00 0.00 O ATOM 215 CB TYR A 13 -0.409 4.014 6.481 1.00 0.00 C ATOM 216 CG TYR A 13 -1.723 4.779 6.292 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.068 5.835 7.142 1.00 0.00 C ATOM 218 CD2 TYR A 13 -2.619 4.443 5.281 1.00 0.00 C ATOM 219 CE1 TYR A 13 -3.251 6.517 6.985 1.00 0.00 C ATOM 220 CE2 TYR A 13 -3.798 5.118 5.121 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.115 6.155 5.964 1.00 0.00 C ATOM 222 OH TYR A 13 -5.306 6.817 5.794 1.00 0.00 O ATOM 0 H TYR A 13 1.590 2.726 7.178 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.515 3.924 8.633 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.423 4.717 6.446 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.276 3.321 5.651 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.393 6.119 7.936 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.378 3.633 4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.505 7.328 7.652 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.479 4.836 4.332 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.787 6.434 5.031 1.00 0.00 H new ATOM 232 N ILE A 14 -1.169 0.967 7.376 1.00 0.00 N ATOM 233 CA ILE A 14 -2.078 -0.186 7.460 1.00 0.00 C ATOM 234 C ILE A 14 -2.355 -0.529 8.940 1.00 0.00 C ATOM 235 O ILE A 14 -3.461 -0.914 9.284 1.00 0.00 O ATOM 236 CB ILE A 14 -1.477 -1.428 6.697 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.275 -1.099 5.180 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.352 -2.700 6.867 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.299 -2.023 4.470 1.00 0.00 C ATOM 0 H ILE A 14 -0.281 0.756 6.922 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.021 0.074 6.980 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.506 -1.641 7.144 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.240 -1.151 4.676 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.921 -0.072 5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.898 -3.529 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.423 -2.954 7.925 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.350 -2.511 6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.215 -1.729 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.679 -1.954 4.946 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.660 -3.050 4.530 1.00 0.00 H new ATOM 251 N MET A 15 -1.348 -0.338 9.806 1.00 0.00 N ATOM 252 CA MET A 15 -1.462 -0.590 11.260 1.00 0.00 C ATOM 253 C MET A 15 -2.215 0.550 11.979 1.00 0.00 C ATOM 254 O MET A 15 -2.906 0.306 12.973 1.00 0.00 O ATOM 255 CB MET A 15 -0.046 -0.744 11.871 1.00 0.00 C ATOM 256 CG MET A 15 0.812 -1.809 11.189 1.00 0.00 C ATOM 257 SD MET A 15 2.475 -1.957 11.869 1.00 0.00 S ATOM 258 CE MET A 15 2.123 -2.364 13.575 1.00 0.00 C ATOM 0 H MET A 15 -0.427 -0.004 9.522 1.00 0.00 H new ATOM 0 HA MET A 15 -2.033 -1.508 11.399 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.470 0.215 11.814 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.142 -0.992 12.928 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.310 -2.773 11.271 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.884 -1.577 10.126 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.057 -2.556 14.104 1.00 0.00 H new ATOM 0 HE2 MET A 15 1.603 -1.531 14.048 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.495 -3.254 13.615 1.00 0.00 H new ATOM 268 N GLU A 16 -2.046 1.788 11.474 1.00 0.00 N ATOM 269 CA GLU A 16 -2.593 3.007 12.109 1.00 0.00 C ATOM 270 C GLU A 16 -4.086 3.185 11.802 1.00 0.00 C ATOM 271 O GLU A 16 -4.919 3.289 12.711 1.00 0.00 O ATOM 272 CB GLU A 16 -1.811 4.273 11.643 1.00 0.00 C ATOM 273 CG GLU A 16 -0.293 4.270 11.915 1.00 0.00 C ATOM 274 CD GLU A 16 0.075 3.995 13.389 1.00 0.00 C ATOM 275 OE1 GLU A 16 0.187 2.813 13.773 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.269 4.952 14.170 1.00 0.00 O ATOM 0 H GLU A 16 -1.527 1.973 10.615 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.475 2.886 13.186 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.967 4.398 10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.246 5.145 12.132 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.178 3.515 11.286 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.121 5.234 11.620 1.00 0.00 H new ATOM 283 N ASP A 17 -4.401 3.243 10.509 1.00 0.00 N ATOM 284 CA ASP A 17 -5.730 3.644 10.020 1.00 0.00 C ATOM 285 C ASP A 17 -6.655 2.433 9.822 1.00 0.00 C ATOM 286 O ASP A 17 -7.786 2.423 10.323 1.00 0.00 O ATOM 287 CB ASP A 17 -5.557 4.422 8.703 1.00 0.00 C ATOM 288 CG ASP A 17 -6.876 4.914 8.095 1.00 0.00 C ATOM 289 OD1 ASP A 17 -7.451 5.896 8.617 1.00 0.00 O ATOM 290 OD2 ASP A 17 -7.331 4.340 7.081 1.00 0.00 O ATOM 0 H ASP A 17 -3.743 3.013 9.764 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.204 4.280 10.767 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.908 5.279 8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.050 3.784 7.979 1.00 0.00 H new ATOM 295 N LEU A 18 -6.150 1.423 9.088 1.00 0.00 N ATOM 296 CA LEU A 18 -6.931 0.230 8.694 1.00 0.00 C ATOM 297 C LEU A 18 -7.149 -0.688 9.918 1.00 0.00 C ATOM 298 O LEU A 18 -8.284 -0.905 10.360 1.00 0.00 O ATOM 299 CB LEU A 18 -6.212 -0.554 7.539 1.00 0.00 C ATOM 300 CG LEU A 18 -6.212 0.083 6.095 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.600 1.505 6.045 1.00 0.00 C ATOM 302 CD2 LEU A 18 -5.504 -0.864 5.097 1.00 0.00 C ATOM 0 H LEU A 18 -5.188 1.409 8.750 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.902 0.560 8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.174 -0.707 7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.672 -1.540 7.468 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.256 0.202 5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.633 1.880 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.170 2.170 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.565 1.468 6.384 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.509 -0.415 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.475 -1.026 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.029 -1.819 5.067 1.00 0.00 H new ATOM 314 N ILE A 19 -6.036 -1.192 10.460 1.00 0.00 N ATOM 315 CA ILE A 19 -6.012 -2.146 11.585 1.00 0.00 C ATOM 316 C ILE A 19 -5.972 -1.359 12.924 1.00 0.00 C ATOM 317 O ILE A 19 -5.683 -0.155 12.934 1.00 0.00 O ATOM 318 CB ILE A 19 -4.753 -3.105 11.448 1.00 0.00 C ATOM 319 CG1 ILE A 19 -4.734 -3.803 10.047 1.00 0.00 C ATOM 320 CG2 ILE A 19 -4.676 -4.166 12.574 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.551 -4.735 9.820 1.00 0.00 C ATOM 0 H ILE A 19 -5.104 -0.946 10.125 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.911 -2.762 11.570 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.873 -2.470 11.547 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.656 -4.371 9.926 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.729 -3.035 9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.795 -4.791 12.426 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.608 -3.667 13.540 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.570 -4.788 12.549 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.619 -5.174 8.825 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.622 -4.171 9.905 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.564 -5.528 10.568 1.00 0.00 H new ATOM 333 N GLY A 20 -6.278 -2.046 14.032 1.00 0.00 N ATOM 334 CA GLY A 20 -6.275 -1.449 15.366 1.00 0.00 C ATOM 335 C GLY A 20 -5.732 -2.404 16.433 1.00 0.00 C ATOM 336 O GLY A 20 -4.589 -2.238 16.877 1.00 0.00 O ATOM 0 H GLY A 20 -6.535 -3.033 14.024 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.671 -0.542 15.353 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.290 -1.153 15.631 1.00 0.00 H new ATOM 340 N PRO A 21 -6.532 -3.440 16.864 1.00 0.00 N ATOM 341 CA PRO A 21 -6.185 -4.291 18.031 1.00 0.00 C ATOM 342 C PRO A 21 -5.008 -5.264 17.748 1.00 0.00 C ATOM 343 O PRO A 21 -4.059 -5.350 18.540 1.00 0.00 O ATOM 344 CB PRO A 21 -7.521 -5.030 18.329 1.00 0.00 C ATOM 345 CG PRO A 21 -8.241 -5.096 17.008 1.00 0.00 C ATOM 346 CD PRO A 21 -7.821 -3.860 16.233 1.00 0.00 C ATOM 0 HA PRO A 21 -5.819 -3.713 18.880 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.338 -6.028 18.728 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.111 -4.493 19.072 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.976 -6.004 16.466 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.321 -5.115 17.154 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.690 -4.082 15.174 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.572 -3.073 16.304 1.00 0.00 H new ATOM 354 N SER A 22 -5.061 -5.970 16.603 1.00 0.00 N ATOM 355 CA SER A 22 -4.056 -6.975 16.236 1.00 0.00 C ATOM 356 C SER A 22 -3.030 -6.352 15.279 1.00 0.00 C ATOM 357 O SER A 22 -3.076 -6.558 14.057 1.00 0.00 O ATOM 358 CB SER A 22 -4.756 -8.210 15.620 1.00 0.00 C ATOM 359 OG SER A 22 -3.856 -9.296 15.445 1.00 0.00 O ATOM 0 H SER A 22 -5.801 -5.857 15.910 1.00 0.00 H new ATOM 0 HA SER A 22 -3.518 -7.311 17.122 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.579 -8.520 16.264 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.190 -7.939 14.657 1.00 0.00 H new ATOM 0 HG SER A 22 -3.092 -9.004 14.904 1.00 0.00 H new ATOM 365 N ALA A 23 -2.127 -5.545 15.855 1.00 0.00 N ATOM 366 CA ALA A 23 -1.030 -4.913 15.118 1.00 0.00 C ATOM 367 C ALA A 23 0.160 -4.691 16.061 1.00 0.00 C ATOM 368 O ALA A 23 0.402 -3.580 16.551 1.00 0.00 O ATOM 369 CB ALA A 23 -1.469 -3.602 14.445 1.00 0.00 C ATOM 0 H ALA A 23 -2.140 -5.313 16.848 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.724 -5.582 14.314 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.625 -3.167 13.910 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.277 -3.806 13.743 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.817 -2.902 15.205 1.00 0.00 H new ATOM 375 N LYS A 24 0.852 -5.802 16.337 1.00 0.00 N ATOM 376 CA LYS A 24 2.101 -5.851 17.118 1.00 0.00 C ATOM 377 C LYS A 24 3.228 -5.174 16.322 1.00 0.00 C ATOM 378 O LYS A 24 3.077 -4.977 15.110 1.00 0.00 O ATOM 379 CB LYS A 24 2.384 -7.346 17.460 1.00 0.00 C ATOM 380 CG LYS A 24 3.407 -7.594 18.578 1.00 0.00 C ATOM 381 CD LYS A 24 3.355 -9.040 19.123 1.00 0.00 C ATOM 382 CE LYS A 24 4.354 -9.280 20.274 1.00 0.00 C ATOM 383 NZ LYS A 24 5.759 -9.319 19.788 1.00 0.00 N ATOM 0 H LYS A 24 0.552 -6.722 16.015 1.00 0.00 H new ATOM 0 HA LYS A 24 2.025 -5.302 18.056 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.443 -7.819 17.743 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.733 -7.846 16.557 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.409 -7.388 18.201 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.224 -6.895 19.394 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.345 -9.256 19.473 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.567 -9.737 18.312 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.249 -8.490 21.017 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.116 -10.220 20.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.370 -9.727 20.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.813 -9.903 18.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.078 -8.353 19.570 1.00 0.00 H new ATOM 397 N GLU A 25 4.349 -4.844 17.007 1.00 0.00 N ATOM 398 CA GLU A 25 5.413 -3.927 16.500 1.00 0.00 C ATOM 399 C GLU A 25 5.888 -4.207 15.053 1.00 0.00 C ATOM 400 O GLU A 25 6.336 -3.291 14.365 1.00 0.00 O ATOM 401 CB GLU A 25 6.634 -3.940 17.452 1.00 0.00 C ATOM 402 CG GLU A 25 7.534 -5.194 17.374 1.00 0.00 C ATOM 403 CD GLU A 25 6.868 -6.493 17.840 1.00 0.00 C ATOM 404 OE1 GLU A 25 6.880 -6.774 19.052 1.00 0.00 O ATOM 405 OE2 GLU A 25 6.341 -7.249 16.994 1.00 0.00 O ATOM 0 H GLU A 25 4.548 -5.208 17.939 1.00 0.00 H new ATOM 0 HA GLU A 25 4.944 -2.943 16.476 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.246 -3.063 17.240 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.274 -3.837 18.476 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.866 -5.322 16.344 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.425 -5.022 17.978 1.00 0.00 H new ATOM 412 N ASP A 26 5.799 -5.475 14.633 1.00 0.00 N ATOM 413 CA ASP A 26 6.136 -5.919 13.269 1.00 0.00 C ATOM 414 C ASP A 26 5.228 -7.095 12.861 1.00 0.00 C ATOM 415 O ASP A 26 5.699 -8.104 12.334 1.00 0.00 O ATOM 416 CB ASP A 26 7.647 -6.303 13.168 1.00 0.00 C ATOM 417 CG ASP A 26 8.564 -5.103 12.863 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.679 -4.716 11.677 1.00 0.00 O ATOM 419 OD2 ASP A 26 9.165 -4.537 13.798 1.00 0.00 O ATOM 0 H ASP A 26 5.487 -6.235 15.238 1.00 0.00 H new ATOM 0 HA ASP A 26 5.963 -5.096 12.576 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.961 -6.762 14.105 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.772 -7.054 12.388 1.00 0.00 H new ATOM 424 N GLU A 27 3.912 -6.956 13.114 1.00 0.00 N ATOM 425 CA GLU A 27 2.900 -7.903 12.594 1.00 0.00 C ATOM 426 C GLU A 27 2.754 -7.709 11.082 1.00 0.00 C ATOM 427 O GLU A 27 2.498 -8.653 10.337 1.00 0.00 O ATOM 428 CB GLU A 27 1.505 -7.730 13.304 1.00 0.00 C ATOM 429 CG GLU A 27 1.199 -8.795 14.371 1.00 0.00 C ATOM 430 CD GLU A 27 -0.272 -8.807 14.839 1.00 0.00 C ATOM 431 OE1 GLU A 27 -1.147 -9.162 14.031 1.00 0.00 O ATOM 432 OE2 GLU A 27 -0.553 -8.464 16.012 1.00 0.00 O ATOM 0 H GLU A 27 3.523 -6.198 13.675 1.00 0.00 H new ATOM 0 HA GLU A 27 3.244 -8.915 12.808 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.468 -6.745 13.770 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.720 -7.755 12.548 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.451 -9.778 13.972 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.843 -8.626 15.234 1.00 0.00 H new ATOM 439 N LEU A 28 2.869 -6.448 10.656 1.00 0.00 N ATOM 440 CA LEU A 28 2.823 -6.069 9.248 1.00 0.00 C ATOM 441 C LEU A 28 4.261 -5.983 8.728 1.00 0.00 C ATOM 442 O LEU A 28 5.084 -5.232 9.260 1.00 0.00 O ATOM 443 CB LEU A 28 2.040 -4.732 9.058 1.00 0.00 C ATOM 444 CG LEU A 28 0.474 -4.831 9.167 1.00 0.00 C ATOM 445 CD1 LEU A 28 -0.111 -5.731 8.062 1.00 0.00 C ATOM 446 CD2 LEU A 28 0.018 -5.307 10.566 1.00 0.00 C ATOM 0 H LEU A 28 2.998 -5.657 11.287 1.00 0.00 H new ATOM 0 HA LEU A 28 2.284 -6.819 8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.392 -4.018 9.803 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.291 -4.322 8.080 1.00 0.00 H new ATOM 0 HG LEU A 28 0.084 -3.823 9.024 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.195 -5.778 8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.142 -5.319 7.085 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.306 -6.734 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.070 -5.361 10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.435 -6.293 10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.367 -4.603 11.321 1.00 0.00 H new ATOM 458 N ASP A 29 4.543 -6.813 7.736 1.00 0.00 N ATOM 459 CA ASP A 29 5.863 -6.930 7.081 1.00 0.00 C ATOM 460 C ASP A 29 5.718 -6.724 5.574 1.00 0.00 C ATOM 461 O ASP A 29 4.605 -6.556 5.052 1.00 0.00 O ATOM 462 CB ASP A 29 6.464 -8.341 7.350 1.00 0.00 C ATOM 463 CG ASP A 29 6.865 -8.566 8.811 1.00 0.00 C ATOM 464 OD1 ASP A 29 7.958 -8.107 9.202 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.107 -9.222 9.563 1.00 0.00 O ATOM 0 H ASP A 29 3.848 -7.448 7.343 1.00 0.00 H new ATOM 0 HA ASP A 29 6.526 -6.167 7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.736 -9.099 7.061 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.339 -8.481 6.716 1.00 0.00 H new ATOM 470 N ASP A 30 6.862 -6.790 4.886 1.00 0.00 N ATOM 471 CA ASP A 30 6.946 -6.684 3.435 1.00 0.00 C ATOM 472 C ASP A 30 6.311 -7.919 2.764 1.00 0.00 C ATOM 473 O ASP A 30 5.723 -7.823 1.683 1.00 0.00 O ATOM 474 CB ASP A 30 8.426 -6.530 3.005 1.00 0.00 C ATOM 475 CG ASP A 30 9.134 -5.350 3.692 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.672 -5.545 4.812 1.00 0.00 O ATOM 477 OD2 ASP A 30 9.148 -4.229 3.128 1.00 0.00 O ATOM 0 H ASP A 30 7.769 -6.921 5.334 1.00 0.00 H new ATOM 0 HA ASP A 30 6.392 -5.802 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.962 -7.451 3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.472 -6.394 1.924 1.00 0.00 H new ATOM 482 N GLN A 31 6.407 -9.078 3.442 1.00 0.00 N ATOM 483 CA GLN A 31 5.961 -10.381 2.904 1.00 0.00 C ATOM 484 C GLN A 31 4.792 -10.936 3.721 1.00 0.00 C ATOM 485 O GLN A 31 4.541 -12.147 3.736 1.00 0.00 O ATOM 486 CB GLN A 31 7.156 -11.381 2.843 1.00 0.00 C ATOM 487 CG GLN A 31 8.131 -11.149 1.658 1.00 0.00 C ATOM 488 CD GLN A 31 7.650 -11.663 0.273 1.00 0.00 C ATOM 489 OE1 GLN A 31 8.470 -12.008 -0.575 1.00 0.00 O ATOM 490 NE2 GLN A 31 6.338 -11.751 0.020 1.00 0.00 N ATOM 0 H GLN A 31 6.797 -9.139 4.382 1.00 0.00 H new ATOM 0 HA GLN A 31 5.600 -10.236 1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.716 -11.315 3.776 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.762 -12.395 2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.328 -10.080 1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.080 -11.631 1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.662 -11.463 0.727 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.015 -12.106 -0.880 1.00 0.00 H new ATOM 499 N THR A 32 4.076 -10.028 4.394 1.00 0.00 N ATOM 500 CA THR A 32 2.816 -10.348 5.049 1.00 0.00 C ATOM 501 C THR A 32 1.693 -10.431 3.980 1.00 0.00 C ATOM 502 O THR A 32 1.558 -9.513 3.166 1.00 0.00 O ATOM 503 CB THR A 32 2.490 -9.290 6.144 1.00 0.00 C ATOM 504 OG1 THR A 32 3.441 -9.413 7.209 1.00 0.00 O ATOM 505 CG2 THR A 32 1.067 -9.430 6.724 1.00 0.00 C ATOM 0 H THR A 32 4.359 -9.053 4.496 1.00 0.00 H new ATOM 0 HA THR A 32 2.893 -11.315 5.546 1.00 0.00 H new ATOM 0 HB THR A 32 2.546 -8.311 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.019 -9.156 8.055 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.906 -8.663 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.335 -9.311 5.925 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.954 -10.415 7.176 1.00 0.00 H new ATOM 513 N PRO A 33 0.911 -11.559 3.952 1.00 0.00 N ATOM 514 CA PRO A 33 -0.239 -11.732 3.040 1.00 0.00 C ATOM 515 C PRO A 33 -1.424 -10.834 3.462 1.00 0.00 C ATOM 516 O PRO A 33 -2.364 -11.275 4.136 1.00 0.00 O ATOM 517 CB PRO A 33 -0.561 -13.244 3.175 1.00 0.00 C ATOM 518 CG PRO A 33 -0.135 -13.583 4.570 1.00 0.00 C ATOM 519 CD PRO A 33 1.110 -12.761 4.808 1.00 0.00 C ATOM 0 HA PRO A 33 -0.032 -11.441 2.010 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.622 -13.441 3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.018 -13.835 2.437 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.914 -13.337 5.292 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.070 -14.649 4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.216 -12.491 5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.010 -13.308 4.527 1.00 0.00 H new ATOM 527 N LEU A 34 -1.338 -9.563 3.060 1.00 0.00 N ATOM 528 CA LEU A 34 -2.273 -8.498 3.466 1.00 0.00 C ATOM 529 C LEU A 34 -3.713 -8.824 3.035 1.00 0.00 C ATOM 530 O LEU A 34 -4.661 -8.719 3.823 1.00 0.00 O ATOM 531 CB LEU A 34 -1.822 -7.162 2.830 1.00 0.00 C ATOM 532 CG LEU A 34 -0.337 -6.744 3.093 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.011 -5.437 2.378 1.00 0.00 C ATOM 534 CD2 LEU A 34 -0.027 -6.648 4.599 1.00 0.00 C ATOM 0 H LEU A 34 -0.605 -9.234 2.432 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.261 -8.419 4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.976 -7.225 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.473 -6.369 3.199 1.00 0.00 H new ATOM 0 HG LEU A 34 0.293 -7.531 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.049 -5.176 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.128 -5.562 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.641 -4.641 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.014 -6.355 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.678 -5.904 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.197 -7.617 5.068 1.00 0.00 H new ATOM 546 N LEU A 35 -3.846 -9.250 1.779 1.00 0.00 N ATOM 547 CA LEU A 35 -5.148 -9.548 1.171 1.00 0.00 C ATOM 548 C LEU A 35 -5.791 -10.799 1.806 1.00 0.00 C ATOM 549 O LEU A 35 -7.019 -10.880 1.941 1.00 0.00 O ATOM 550 CB LEU A 35 -4.992 -9.726 -0.355 1.00 0.00 C ATOM 551 CG LEU A 35 -6.311 -9.630 -1.171 1.00 0.00 C ATOM 552 CD1 LEU A 35 -6.990 -8.257 -0.943 1.00 0.00 C ATOM 553 CD2 LEU A 35 -6.055 -9.893 -2.663 1.00 0.00 C ATOM 0 H LEU A 35 -3.055 -9.399 1.152 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.814 -8.706 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.300 -8.969 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.535 -10.697 -0.547 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.993 -10.403 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.912 -8.207 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.219 -8.136 0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.317 -7.461 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.994 -9.820 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.352 -9.154 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.637 -10.892 -2.790 1.00 0.00 H new ATOM 565 N GLU A 36 -4.934 -11.748 2.229 1.00 0.00 N ATOM 566 CA GLU A 36 -5.356 -13.013 2.864 1.00 0.00 C ATOM 567 C GLU A 36 -5.816 -12.764 4.310 1.00 0.00 C ATOM 568 O GLU A 36 -6.637 -13.513 4.853 1.00 0.00 O ATOM 569 CB GLU A 36 -4.190 -14.030 2.825 1.00 0.00 C ATOM 570 CG GLU A 36 -3.589 -14.247 1.417 1.00 0.00 C ATOM 571 CD GLU A 36 -4.599 -14.793 0.398 1.00 0.00 C ATOM 572 OE1 GLU A 36 -4.788 -16.023 0.342 1.00 0.00 O ATOM 573 OE2 GLU A 36 -5.210 -14.000 -0.350 1.00 0.00 O ATOM 0 H GLU A 36 -3.922 -11.658 2.139 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.200 -13.425 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.402 -13.689 3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.544 -14.987 3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.191 -13.301 1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.750 -14.939 1.491 1.00 0.00 H new ATOM 580 N TRP A 37 -5.263 -11.703 4.924 1.00 0.00 N ATOM 581 CA TRP A 37 -5.736 -11.182 6.226 1.00 0.00 C ATOM 582 C TRP A 37 -7.124 -10.515 6.075 1.00 0.00 C ATOM 583 O TRP A 37 -7.861 -10.383 7.059 1.00 0.00 O ATOM 584 CB TRP A 37 -4.712 -10.161 6.807 1.00 0.00 C ATOM 585 CG TRP A 37 -3.462 -10.770 7.414 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.886 -11.980 7.125 1.00 0.00 C ATOM 587 CD2 TRP A 37 -2.639 -10.175 8.431 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.771 -12.169 7.899 1.00 0.00 N ATOM 589 CE2 TRP A 37 -1.599 -11.079 8.710 1.00 0.00 C ATOM 590 CE3 TRP A 37 -2.692 -8.966 9.139 1.00 0.00 C ATOM 591 CZ2 TRP A 37 -0.616 -10.813 9.662 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -1.713 -8.697 10.078 1.00 0.00 C ATOM 593 CH2 TRP A 37 -0.688 -9.621 10.335 1.00 0.00 C ATOM 0 H TRP A 37 -4.477 -11.181 4.536 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.827 -12.021 6.916 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.414 -9.478 6.012 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.212 -9.564 7.569 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.257 -12.682 6.393 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.166 -12.990 7.875 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.485 -8.256 8.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.174 -11.521 9.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.737 -7.764 10.621 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.060 -9.388 11.079 1.00 0.00 H new ATOM 604 N GLY A 38 -7.457 -10.111 4.829 1.00 0.00 N ATOM 605 CA GLY A 38 -8.725 -9.447 4.515 1.00 0.00 C ATOM 606 C GLY A 38 -8.782 -8.016 5.022 1.00 0.00 C ATOM 607 O GLY A 38 -9.857 -7.433 5.130 1.00 0.00 O ATOM 0 H GLY A 38 -6.850 -10.239 4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.874 -9.451 3.435 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.546 -10.016 4.953 1.00 0.00 H new ATOM 611 N ILE A 39 -7.605 -7.454 5.333 1.00 0.00 N ATOM 612 CA ILE A 39 -7.462 -6.079 5.844 1.00 0.00 C ATOM 613 C ILE A 39 -7.555 -5.059 4.696 1.00 0.00 C ATOM 614 O ILE A 39 -7.675 -3.863 4.950 1.00 0.00 O ATOM 615 CB ILE A 39 -6.106 -5.905 6.633 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.876 -6.192 5.702 1.00 0.00 C ATOM 617 CG2 ILE A 39 -6.097 -6.807 7.897 1.00 0.00 C ATOM 618 CD1 ILE A 39 -3.519 -6.165 6.377 1.00 0.00 C ATOM 0 H ILE A 39 -6.716 -7.944 5.237 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.282 -5.892 6.537 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.024 -4.870 6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.013 -7.171 5.242 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.875 -5.458 4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.156 -6.676 8.431 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.925 -6.529 8.549 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.204 -7.850 7.600 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.743 -6.376 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.349 -5.180 6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.489 -6.919 7.163 1.00 0.00 H new ATOM 630 N LEU A 40 -7.464 -5.546 3.433 1.00 0.00 N ATOM 631 CA LEU A 40 -7.534 -4.709 2.219 1.00 0.00 C ATOM 632 C LEU A 40 -8.850 -4.980 1.467 1.00 0.00 C ATOM 633 O LEU A 40 -8.898 -5.782 0.530 1.00 0.00 O ATOM 634 CB LEU A 40 -6.311 -4.970 1.292 1.00 0.00 C ATOM 635 CG LEU A 40 -4.904 -4.715 1.913 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.796 -4.932 0.870 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.811 -3.311 2.550 1.00 0.00 C ATOM 0 H LEU A 40 -7.339 -6.538 3.232 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.509 -3.662 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.353 -6.006 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.413 -4.342 0.407 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.758 -5.442 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.824 -4.748 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.836 -5.958 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.941 -4.244 0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.817 -3.168 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.994 -2.553 1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.557 -3.219 3.339 1.00 0.00 H new ATOM 649 N ASN A 41 -9.932 -4.356 1.948 1.00 0.00 N ATOM 650 CA ASN A 41 -11.242 -4.353 1.270 1.00 0.00 C ATOM 651 C ASN A 41 -11.329 -3.144 0.340 1.00 0.00 C ATOM 652 O ASN A 41 -10.648 -2.139 0.582 1.00 0.00 O ATOM 653 CB ASN A 41 -12.400 -4.310 2.303 1.00 0.00 C ATOM 654 CG ASN A 41 -12.381 -5.508 3.253 1.00 0.00 C ATOM 655 OD1 ASN A 41 -12.969 -6.547 2.967 1.00 0.00 O ATOM 656 ND2 ASN A 41 -11.707 -5.370 4.389 1.00 0.00 N ATOM 0 H ASN A 41 -9.927 -3.834 2.824 1.00 0.00 H new ATOM 0 HA ASN A 41 -11.338 -5.271 0.690 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.332 -3.389 2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.353 -4.284 1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.667 -6.141 5.055 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.230 -4.493 4.595 1.00 0.00 H new ATOM 663 N SER A 42 -12.199 -3.232 -0.688 1.00 0.00 N ATOM 664 CA SER A 42 -12.422 -2.142 -1.659 1.00 0.00 C ATOM 665 C SER A 42 -12.935 -0.840 -0.964 1.00 0.00 C ATOM 666 O SER A 42 -12.783 0.261 -1.508 1.00 0.00 O ATOM 667 CB SER A 42 -13.401 -2.608 -2.759 1.00 0.00 C ATOM 668 OG SER A 42 -13.626 -1.595 -3.715 1.00 0.00 O ATOM 0 H SER A 42 -12.766 -4.061 -0.867 1.00 0.00 H new ATOM 0 HA SER A 42 -11.465 -1.898 -2.119 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.000 -3.493 -3.253 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.349 -2.898 -2.305 1.00 0.00 H new ATOM 673 N MET A 43 -13.505 -0.981 0.250 1.00 0.00 N ATOM 674 CA MET A 43 -13.950 0.160 1.074 1.00 0.00 C ATOM 675 C MET A 43 -12.766 0.900 1.734 1.00 0.00 C ATOM 676 O MET A 43 -12.677 2.120 1.641 1.00 0.00 O ATOM 677 CB MET A 43 -14.969 -0.318 2.152 1.00 0.00 C ATOM 678 CG MET A 43 -16.374 -0.692 1.613 1.00 0.00 C ATOM 679 SD MET A 43 -17.489 0.733 1.389 1.00 0.00 S ATOM 680 CE MET A 43 -16.926 1.529 -0.126 1.00 0.00 C ATOM 0 H MET A 43 -13.669 -1.888 0.686 1.00 0.00 H new ATOM 0 HA MET A 43 -14.441 0.871 0.410 1.00 0.00 H new ATOM 0 HB2 MET A 43 -14.552 -1.185 2.664 1.00 0.00 H new ATOM 0 HB3 MET A 43 -15.081 0.469 2.897 1.00 0.00 H new ATOM 0 HG2 MET A 43 -16.260 -1.204 0.658 1.00 0.00 H new ATOM 0 HG3 MET A 43 -16.839 -1.399 2.300 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.776 1.981 -0.637 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.197 2.302 0.118 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.464 0.787 -0.777 1.00 0.00 H new ATOM 690 N ASN A 44 -11.867 0.163 2.405 1.00 0.00 N ATOM 691 CA ASN A 44 -10.748 0.773 3.179 1.00 0.00 C ATOM 692 C ASN A 44 -9.490 1.009 2.311 1.00 0.00 C ATOM 693 O ASN A 44 -8.534 1.634 2.771 1.00 0.00 O ATOM 694 CB ASN A 44 -10.375 -0.070 4.436 1.00 0.00 C ATOM 695 CG ASN A 44 -9.797 -1.442 4.092 1.00 0.00 C ATOM 696 OD1 ASN A 44 -10.509 -2.438 4.067 1.00 0.00 O ATOM 697 ND2 ASN A 44 -8.504 -1.496 3.791 1.00 0.00 N ATOM 0 H ASN A 44 -11.884 -0.856 2.434 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.116 1.743 3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.650 0.483 5.034 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.263 -0.202 5.054 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -8.078 -2.385 3.530 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.938 -0.648 3.821 1.00 0.00 H new ATOM 704 N ILE A 45 -9.454 0.438 1.096 1.00 0.00 N ATOM 705 CA ILE A 45 -8.284 0.563 0.195 1.00 0.00 C ATOM 706 C ILE A 45 -8.114 2.013 -0.319 1.00 0.00 C ATOM 707 O ILE A 45 -6.998 2.448 -0.615 1.00 0.00 O ATOM 708 CB ILE A 45 -8.400 -0.422 -1.017 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.053 -0.512 -1.791 1.00 0.00 C ATOM 710 CG2 ILE A 45 -9.564 -0.016 -1.960 1.00 0.00 C ATOM 711 CD1 ILE A 45 -7.049 -1.526 -2.906 1.00 0.00 C ATOM 0 H ILE A 45 -10.219 -0.116 0.710 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.401 0.301 0.778 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.626 -1.413 -0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.819 0.468 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.258 -0.759 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.620 -0.718 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.503 -0.033 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.387 0.989 -2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.075 -1.526 -3.394 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.250 -2.516 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.819 -1.270 -3.633 1.00 0.00 H new ATOM 723 N VAL A 46 -9.237 2.748 -0.411 1.00 0.00 N ATOM 724 CA VAL A 46 -9.259 4.155 -0.855 1.00 0.00 C ATOM 725 C VAL A 46 -8.497 5.059 0.142 1.00 0.00 C ATOM 726 O VAL A 46 -7.956 6.104 -0.237 1.00 0.00 O ATOM 727 CB VAL A 46 -10.736 4.665 -1.047 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.475 3.834 -2.136 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.515 4.664 0.295 1.00 0.00 C ATOM 0 H VAL A 46 -10.160 2.381 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.755 4.208 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.690 5.698 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.493 4.206 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.947 3.927 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.503 2.786 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.531 5.022 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.549 3.651 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.013 5.319 1.007 1.00 0.00 H new ATOM 739 N LYS A 47 -8.436 4.598 1.406 1.00 0.00 N ATOM 740 CA LYS A 47 -7.711 5.261 2.496 1.00 0.00 C ATOM 741 C LYS A 47 -6.191 5.167 2.230 1.00 0.00 C ATOM 742 O LYS A 47 -5.434 6.078 2.570 1.00 0.00 O ATOM 743 CB LYS A 47 -8.078 4.590 3.856 1.00 0.00 C ATOM 744 CG LYS A 47 -9.597 4.306 4.059 1.00 0.00 C ATOM 745 CD LYS A 47 -10.438 5.527 4.501 1.00 0.00 C ATOM 746 CE LYS A 47 -10.258 5.873 5.995 1.00 0.00 C ATOM 747 NZ LYS A 47 -8.981 6.554 6.294 1.00 0.00 N ATOM 0 H LYS A 47 -8.899 3.738 1.699 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.994 6.312 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.533 3.650 3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.732 5.232 4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.007 3.920 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.707 3.519 4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.160 6.391 3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.491 5.327 4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.083 6.510 6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.317 4.956 6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.063 7.065 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.220 5.849 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.760 7.228 5.533 1.00 0.00 H new ATOM 761 N LEU A 48 -5.771 4.036 1.617 1.00 0.00 N ATOM 762 CA LEU A 48 -4.390 3.843 1.142 1.00 0.00 C ATOM 763 C LEU A 48 -4.116 4.735 -0.078 1.00 0.00 C ATOM 764 O LEU A 48 -3.124 5.444 -0.088 1.00 0.00 O ATOM 765 CB LEU A 48 -4.107 2.350 0.792 1.00 0.00 C ATOM 766 CG LEU A 48 -4.014 1.361 1.992 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.816 -0.090 1.499 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.887 1.774 2.970 1.00 0.00 C ATOM 0 H LEU A 48 -6.381 3.237 1.441 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.718 4.129 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.893 2.001 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.171 2.301 0.236 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.958 1.405 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.754 -0.760 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.659 -0.380 0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.895 -0.155 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.846 1.066 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.932 1.775 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.089 2.773 3.357 1.00 0.00 H new ATOM 780 N MET A 49 -5.022 4.718 -1.080 1.00 0.00 N ATOM 781 CA MET A 49 -4.842 5.464 -2.360 1.00 0.00 C ATOM 782 C MET A 49 -4.495 6.940 -2.122 1.00 0.00 C ATOM 783 O MET A 49 -3.554 7.473 -2.719 1.00 0.00 O ATOM 784 CB MET A 49 -6.125 5.396 -3.213 1.00 0.00 C ATOM 785 CG MET A 49 -6.542 3.994 -3.617 1.00 0.00 C ATOM 786 SD MET A 49 -8.149 3.992 -4.424 1.00 0.00 S ATOM 787 CE MET A 49 -8.418 2.241 -4.560 1.00 0.00 C ATOM 0 H MET A 49 -5.895 4.193 -1.032 1.00 0.00 H new ATOM 0 HA MET A 49 -4.014 4.988 -2.884 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.941 5.857 -2.656 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.978 5.991 -4.114 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.796 3.571 -4.289 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.576 3.355 -2.735 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.070 2.038 -5.410 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.463 1.736 -4.707 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.886 1.873 -3.647 1.00 0.00 H new ATOM 797 N VAL A 50 -5.271 7.568 -1.221 1.00 0.00 N ATOM 798 CA VAL A 50 -5.093 8.980 -0.847 1.00 0.00 C ATOM 799 C VAL A 50 -3.759 9.193 -0.077 1.00 0.00 C ATOM 800 O VAL A 50 -3.101 10.225 -0.254 1.00 0.00 O ATOM 801 CB VAL A 50 -6.321 9.531 -0.016 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.656 9.351 -0.795 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.402 8.892 1.394 1.00 0.00 C ATOM 0 H VAL A 50 -6.040 7.109 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.045 9.553 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.158 10.599 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.481 9.739 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.603 9.895 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.820 8.292 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.260 9.299 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.514 7.812 1.298 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.490 9.115 1.947 1.00 0.00 H new ATOM 813 N TYR A 51 -3.363 8.189 0.744 1.00 0.00 N ATOM 814 CA TYR A 51 -2.114 8.228 1.537 1.00 0.00 C ATOM 815 C TYR A 51 -0.890 8.257 0.615 1.00 0.00 C ATOM 816 O TYR A 51 0.015 9.070 0.791 1.00 0.00 O ATOM 817 CB TYR A 51 -2.027 7.007 2.490 1.00 0.00 C ATOM 818 CG TYR A 51 -0.759 6.981 3.368 1.00 0.00 C ATOM 819 CD1 TYR A 51 -0.653 7.812 4.489 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.320 6.128 3.082 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.473 7.797 5.288 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.447 6.117 3.876 1.00 0.00 C ATOM 823 CZ TYR A 51 1.516 6.948 4.984 1.00 0.00 C ATOM 824 OH TYR A 51 2.632 6.936 5.788 1.00 0.00 O ATOM 0 H TYR A 51 -3.901 7.332 0.873 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.126 9.138 2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.904 7.002 3.137 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.064 6.093 1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.467 8.478 4.734 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.266 5.471 2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.537 8.448 6.148 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.273 5.464 3.636 1.00 0.00 H new ATOM 0 HH TYR A 51 2.886 6.009 5.982 1.00 0.00 H new ATOM 834 N ILE A 52 -0.877 7.338 -0.361 1.00 0.00 N ATOM 835 CA ILE A 52 0.190 7.247 -1.368 1.00 0.00 C ATOM 836 C ILE A 52 0.171 8.507 -2.274 1.00 0.00 C ATOM 837 O ILE A 52 1.223 9.005 -2.672 1.00 0.00 O ATOM 838 CB ILE A 52 0.096 5.906 -2.224 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.502 4.633 -1.391 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.959 5.975 -3.508 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.423 4.222 -0.261 1.00 0.00 C ATOM 0 H ILE A 52 -1.608 6.635 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 52 1.146 7.208 -0.845 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.952 5.813 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.589 3.792 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.493 4.806 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.865 5.040 -4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.618 6.801 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.003 6.133 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.026 3.333 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.495 5.033 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.413 4.004 -0.662 1.00 0.00 H new ATOM 853 N ARG A 53 -1.028 9.039 -2.539 1.00 0.00 N ATOM 854 CA ARG A 53 -1.211 10.234 -3.385 1.00 0.00 C ATOM 855 C ARG A 53 -0.708 11.519 -2.686 1.00 0.00 C ATOM 856 O ARG A 53 -0.391 12.504 -3.356 1.00 0.00 O ATOM 857 CB ARG A 53 -2.694 10.365 -3.797 1.00 0.00 C ATOM 858 CG ARG A 53 -2.999 11.504 -4.794 1.00 0.00 C ATOM 859 CD ARG A 53 -4.487 11.593 -5.151 1.00 0.00 C ATOM 860 NE ARG A 53 -5.334 11.760 -3.952 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.664 11.901 -3.957 1.00 0.00 C ATOM 862 NH1 ARG A 53 -7.343 11.901 -5.093 1.00 0.00 N ATOM 863 NH2 ARG A 53 -7.310 12.045 -2.819 1.00 0.00 N ATOM 0 H ARG A 53 -1.901 8.657 -2.175 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.606 10.109 -4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.017 9.422 -4.237 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.292 10.519 -2.899 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.675 12.453 -4.366 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.419 11.350 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.648 12.432 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.787 10.691 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.866 11.768 -3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.852 11.792 -5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.357 12.009 -5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.796 12.049 -1.938 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.324 12.153 -2.818 1.00 0.00 H new ATOM 877 N ASP A 54 -0.630 11.508 -1.347 1.00 0.00 N ATOM 878 CA ASP A 54 -0.145 12.667 -0.575 1.00 0.00 C ATOM 879 C ASP A 54 1.362 12.514 -0.279 1.00 0.00 C ATOM 880 O ASP A 54 2.182 13.347 -0.696 1.00 0.00 O ATOM 881 CB ASP A 54 -0.957 12.812 0.737 1.00 0.00 C ATOM 882 CG ASP A 54 -0.649 14.117 1.491 1.00 0.00 C ATOM 883 OD1 ASP A 54 -1.262 15.159 1.175 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.207 14.115 2.395 1.00 0.00 O ATOM 0 H ASP A 54 -0.897 10.708 -0.773 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.286 13.573 -1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.021 12.775 0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.742 11.964 1.387 1.00 0.00 H new ATOM 889 N GLU A 55 1.701 11.410 0.406 1.00 0.00 N ATOM 890 CA GLU A 55 3.065 11.125 0.912 1.00 0.00 C ATOM 891 C GLU A 55 4.057 10.809 -0.221 1.00 0.00 C ATOM 892 O GLU A 55 5.192 11.291 -0.203 1.00 0.00 O ATOM 893 CB GLU A 55 3.006 9.950 1.923 1.00 0.00 C ATOM 894 CG GLU A 55 2.169 10.226 3.185 1.00 0.00 C ATOM 895 CD GLU A 55 2.764 11.342 4.058 1.00 0.00 C ATOM 896 OE1 GLU A 55 3.859 11.132 4.625 1.00 0.00 O ATOM 897 OE2 GLU A 55 2.164 12.431 4.167 1.00 0.00 O ATOM 0 H GLU A 55 1.029 10.676 0.630 1.00 0.00 H new ATOM 0 HA GLU A 55 3.431 12.024 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.598 9.075 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.022 9.698 2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.156 10.501 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.093 9.311 3.773 1.00 0.00 H new ATOM 904 N MET A 56 3.629 9.968 -1.179 1.00 0.00 N ATOM 905 CA MET A 56 4.443 9.608 -2.374 1.00 0.00 C ATOM 906 C MET A 56 4.123 10.543 -3.565 1.00 0.00 C ATOM 907 O MET A 56 4.959 10.728 -4.460 1.00 0.00 O ATOM 908 CB MET A 56 4.227 8.103 -2.768 1.00 0.00 C ATOM 909 CG MET A 56 5.198 7.119 -2.100 1.00 0.00 C ATOM 910 SD MET A 56 5.244 7.234 -0.294 1.00 0.00 S ATOM 911 CE MET A 56 3.601 6.701 0.164 1.00 0.00 C ATOM 0 H MET A 56 2.715 9.516 -1.156 1.00 0.00 H new ATOM 0 HA MET A 56 5.494 9.741 -2.116 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.207 7.817 -2.511 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.321 8.008 -3.850 1.00 0.00 H new ATOM 0 HG2 MET A 56 4.919 6.103 -2.381 1.00 0.00 H new ATOM 0 HG3 MET A 56 6.201 7.294 -2.490 1.00 0.00 H new ATOM 0 HE1 MET A 56 3.572 6.487 1.232 1.00 0.00 H new ATOM 0 HE2 MET A 56 2.885 7.489 -0.068 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.342 5.801 -0.393 1.00 0.00 H new ATOM 921 N GLY A 57 2.905 11.126 -3.560 1.00 0.00 N ATOM 922 CA GLY A 57 2.426 11.971 -4.663 1.00 0.00 C ATOM 923 C GLY A 57 1.865 11.161 -5.829 1.00 0.00 C ATOM 924 O GLY A 57 1.614 11.709 -6.900 1.00 0.00 O ATOM 0 H GLY A 57 2.236 11.023 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.654 12.644 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.246 12.593 -5.020 1.00 0.00 H new ATOM 928 N VAL A 58 1.633 9.855 -5.603 1.00 0.00 N ATOM 929 CA VAL A 58 1.284 8.886 -6.662 1.00 0.00 C ATOM 930 C VAL A 58 -0.183 8.444 -6.523 1.00 0.00 C ATOM 931 O VAL A 58 -0.580 7.913 -5.485 1.00 0.00 O ATOM 932 CB VAL A 58 2.222 7.620 -6.581 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.914 6.604 -7.713 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.719 8.027 -6.572 1.00 0.00 C ATOM 0 H VAL A 58 1.682 9.438 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 58 1.422 9.374 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 58 2.012 7.120 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.580 5.746 -7.623 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.880 6.270 -7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.065 7.081 -8.681 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.339 7.132 -6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.953 8.574 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.918 8.662 -5.708 1.00 0.00 H new ATOM 944 N SER A 59 -0.981 8.670 -7.568 1.00 0.00 N ATOM 945 CA SER A 59 -2.356 8.156 -7.640 1.00 0.00 C ATOM 946 C SER A 59 -2.328 6.708 -8.180 1.00 0.00 C ATOM 947 O SER A 59 -1.747 6.460 -9.244 1.00 0.00 O ATOM 948 CB SER A 59 -3.205 9.075 -8.551 1.00 0.00 C ATOM 949 OG SER A 59 -2.577 9.298 -9.815 1.00 0.00 O ATOM 0 H SER A 59 -0.698 9.211 -8.385 1.00 0.00 H new ATOM 0 HA SER A 59 -2.808 8.149 -6.648 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.186 8.626 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.368 10.031 -8.053 1.00 0.00 H new ATOM 0 HG SER A 59 -2.159 8.467 -10.124 1.00 0.00 H new ATOM 955 N ILE A 60 -2.928 5.759 -7.429 1.00 0.00 N ATOM 956 CA ILE A 60 -3.027 4.359 -7.857 1.00 0.00 C ATOM 957 C ILE A 60 -4.342 4.188 -8.668 1.00 0.00 C ATOM 958 O ILE A 60 -5.432 4.348 -8.104 1.00 0.00 O ATOM 959 CB ILE A 60 -2.997 3.362 -6.630 1.00 0.00 C ATOM 960 CG1 ILE A 60 -1.764 3.651 -5.701 1.00 0.00 C ATOM 961 CG2 ILE A 60 -2.976 1.887 -7.127 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.703 2.807 -4.427 1.00 0.00 C ATOM 0 H ILE A 60 -3.351 5.945 -6.520 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.164 4.116 -8.477 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.903 3.517 -6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.851 3.485 -6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.778 4.704 -5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.955 1.214 -6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.869 1.690 -7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.089 1.722 -7.739 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.818 3.079 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.595 2.989 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.653 1.751 -4.692 1.00 0.00 H new ATOM 974 N PRO A 61 -4.259 3.917 -10.013 1.00 0.00 N ATOM 975 CA PRO A 61 -5.457 3.717 -10.872 1.00 0.00 C ATOM 976 C PRO A 61 -6.055 2.298 -10.734 1.00 0.00 C ATOM 977 O PRO A 61 -5.346 1.361 -10.362 1.00 0.00 O ATOM 978 CB PRO A 61 -4.872 3.937 -12.287 1.00 0.00 C ATOM 979 CG PRO A 61 -3.481 3.379 -12.179 1.00 0.00 C ATOM 980 CD PRO A 61 -2.999 3.800 -10.806 1.00 0.00 C ATOM 0 HA PRO A 61 -6.282 4.381 -10.615 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.455 3.418 -13.048 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.862 4.993 -12.558 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.481 2.294 -12.282 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.835 3.774 -12.963 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.321 3.063 -10.375 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.459 4.746 -10.843 1.00 0.00 H new ATOM 988 N SER A 62 -7.357 2.162 -11.074 1.00 0.00 N ATOM 989 CA SER A 62 -8.141 0.908 -10.916 1.00 0.00 C ATOM 990 C SER A 62 -7.610 -0.251 -11.795 1.00 0.00 C ATOM 991 O SER A 62 -7.832 -1.427 -11.483 1.00 0.00 O ATOM 992 CB SER A 62 -9.639 1.210 -11.185 1.00 0.00 C ATOM 993 OG SER A 62 -9.808 1.993 -12.353 1.00 0.00 O ATOM 0 H SER A 62 -7.903 2.927 -11.471 1.00 0.00 H new ATOM 0 HA SER A 62 -8.026 0.558 -9.890 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.187 0.274 -11.291 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.065 1.734 -10.329 1.00 0.00 H new ATOM 0 HG SER A 62 -10.762 2.165 -12.496 1.00 0.00 H new ATOM 999 N THR A 63 -6.863 0.095 -12.865 1.00 0.00 N ATOM 1000 CA THR A 63 -6.181 -0.883 -13.733 1.00 0.00 C ATOM 1001 C THR A 63 -4.969 -1.536 -13.003 1.00 0.00 C ATOM 1002 O THR A 63 -4.510 -2.616 -13.386 1.00 0.00 O ATOM 1003 CB THR A 63 -5.729 -0.214 -15.084 1.00 0.00 C ATOM 1004 OG1 THR A 63 -5.129 -1.187 -15.951 1.00 0.00 O ATOM 1005 CG2 THR A 63 -4.748 0.959 -14.873 1.00 0.00 C ATOM 0 H THR A 63 -6.717 1.063 -13.150 1.00 0.00 H new ATOM 0 HA THR A 63 -6.893 -1.674 -13.968 1.00 0.00 H new ATOM 0 HB THR A 63 -6.631 0.190 -15.544 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.855 -0.755 -16.787 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.472 1.381 -15.839 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.225 1.728 -14.265 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.853 0.598 -14.365 1.00 0.00 H new ATOM 1013 N HIS A 64 -4.462 -0.861 -11.951 1.00 0.00 N ATOM 1014 CA HIS A 64 -3.358 -1.361 -11.095 1.00 0.00 C ATOM 1015 C HIS A 64 -3.849 -1.825 -9.715 1.00 0.00 C ATOM 1016 O HIS A 64 -3.042 -2.246 -8.885 1.00 0.00 O ATOM 1017 CB HIS A 64 -2.243 -0.288 -10.953 1.00 0.00 C ATOM 1018 CG HIS A 64 -1.330 -0.217 -12.149 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -1.647 0.455 -13.301 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -0.115 -0.779 -12.371 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -0.669 0.315 -14.169 1.00 0.00 C ATOM 1022 NE2 HIS A 64 0.272 -0.429 -13.633 1.00 0.00 N ATOM 0 H HIS A 64 -4.808 0.055 -11.666 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.940 -2.236 -11.593 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.704 0.687 -10.798 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.650 -0.505 -10.064 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.443 -1.390 -11.677 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.643 0.742 -15.161 1.00 0.00 H new ATOM 0 HE2 HIS A 64 1.146 -0.700 -14.084 1.00 0.00 H new ATOM 1031 N ILE A 65 -5.160 -1.736 -9.470 1.00 0.00 N ATOM 1032 CA ILE A 65 -5.778 -2.187 -8.216 1.00 0.00 C ATOM 1033 C ILE A 65 -6.449 -3.547 -8.429 1.00 0.00 C ATOM 1034 O ILE A 65 -7.573 -3.633 -8.937 1.00 0.00 O ATOM 1035 CB ILE A 65 -6.794 -1.110 -7.704 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -6.061 0.249 -7.498 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -7.496 -1.552 -6.397 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.949 1.457 -7.525 1.00 0.00 C ATOM 0 H ILE A 65 -5.826 -1.348 -10.138 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.012 -2.309 -7.450 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.569 -0.993 -8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.538 0.222 -6.542 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.302 0.357 -8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.192 -0.776 -6.077 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.042 -2.479 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.749 -1.713 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.348 2.354 -7.373 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.453 1.517 -8.490 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.693 1.380 -6.732 1.00 0.00 H new ATOM 1050 N THR A 66 -5.699 -4.602 -8.099 1.00 0.00 N ATOM 1051 CA THR A 66 -6.178 -5.990 -8.142 1.00 0.00 C ATOM 1052 C THR A 66 -5.344 -6.866 -7.174 1.00 0.00 C ATOM 1053 O THR A 66 -4.336 -6.403 -6.622 1.00 0.00 O ATOM 1054 CB THR A 66 -6.187 -6.566 -9.614 1.00 0.00 C ATOM 1055 OG1 THR A 66 -6.626 -7.933 -9.623 1.00 0.00 O ATOM 1056 CG2 THR A 66 -4.825 -6.462 -10.307 1.00 0.00 C ATOM 0 H THR A 66 -4.730 -4.517 -7.791 1.00 0.00 H new ATOM 0 HA THR A 66 -7.215 -6.008 -7.807 1.00 0.00 H new ATOM 0 HB THR A 66 -6.887 -5.948 -10.176 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.626 -8.270 -10.543 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.897 -6.874 -11.314 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.524 -5.416 -10.364 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.083 -7.022 -9.738 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.777 -8.130 -7.006 1.00 0.00 N ATOM 1065 CA GLY A 67 -5.277 -9.038 -5.977 1.00 0.00 C ATOM 1066 C GLY A 67 -3.769 -9.281 -5.958 1.00 0.00 C ATOM 1067 O GLY A 67 -3.165 -9.310 -4.882 1.00 0.00 O ATOM 0 H GLY A 67 -6.497 -8.548 -7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.572 -8.646 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.776 -9.999 -6.098 1.00 0.00 H new ATOM 1071 N LYS A 68 -3.157 -9.449 -7.149 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.710 -9.755 -7.264 1.00 0.00 C ATOM 1073 C LYS A 68 -0.819 -8.552 -6.850 1.00 0.00 C ATOM 1074 O LYS A 68 0.360 -8.724 -6.520 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.362 -10.247 -8.697 1.00 0.00 C ATOM 1076 CG LYS A 68 -1.634 -9.234 -9.841 1.00 0.00 C ATOM 1077 CD LYS A 68 -1.269 -9.812 -11.234 1.00 0.00 C ATOM 1078 CE LYS A 68 -1.408 -8.792 -12.383 1.00 0.00 C ATOM 1079 NZ LYS A 68 -2.813 -8.354 -12.609 1.00 0.00 N ATOM 0 H LYS A 68 -3.639 -9.379 -8.045 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.494 -10.561 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.307 -10.520 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.931 -11.155 -8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.687 -8.951 -9.831 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.058 -8.325 -9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.243 -10.179 -11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.909 -10.669 -11.441 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.793 -7.920 -12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.019 -9.233 -13.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.923 -8.035 -13.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.458 -9.150 -12.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.041 -7.571 -11.964 1.00 0.00 H new ATOM 1093 N TYR A 69 -1.402 -7.339 -6.866 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.731 -6.098 -6.427 1.00 0.00 C ATOM 1095 C TYR A 69 -0.857 -5.925 -4.909 1.00 0.00 C ATOM 1096 O TYR A 69 0.101 -5.555 -4.236 1.00 0.00 O ATOM 1097 CB TYR A 69 -1.354 -4.872 -7.142 1.00 0.00 C ATOM 1098 CG TYR A 69 -1.008 -4.765 -8.633 1.00 0.00 C ATOM 1099 CD1 TYR A 69 -1.598 -5.587 -9.588 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -0.086 -3.830 -9.088 1.00 0.00 C ATOM 1101 CE1 TYR A 69 -1.286 -5.470 -10.929 1.00 0.00 C ATOM 1102 CE2 TYR A 69 0.224 -3.708 -10.421 1.00 0.00 C ATOM 1103 CZ TYR A 69 -0.376 -4.524 -11.336 1.00 0.00 C ATOM 1104 OH TYR A 69 -0.068 -4.391 -12.665 1.00 0.00 O ATOM 0 H TYR A 69 -2.359 -7.190 -7.186 1.00 0.00 H new ATOM 0 HA TYR A 69 0.325 -6.170 -6.688 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.438 -4.916 -7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.021 -3.965 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.315 -6.332 -9.275 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.400 -3.181 -8.374 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.755 -6.119 -11.654 1.00 0.00 H new ATOM 0 HE2 TYR A 69 0.941 -2.968 -10.744 1.00 0.00 H new ATOM 0 HH TYR A 69 0.592 -3.675 -12.778 1.00 0.00 H new ATOM 1114 N PHE A 70 -2.056 -6.205 -4.378 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.389 -5.978 -2.952 1.00 0.00 C ATOM 1116 C PHE A 70 -2.305 -7.280 -2.134 1.00 0.00 C ATOM 1117 O PHE A 70 -2.895 -7.397 -1.061 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.777 -5.288 -2.861 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.733 -3.835 -3.342 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.892 -3.515 -4.693 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.476 -2.794 -2.447 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.798 -2.205 -5.125 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.390 -1.487 -2.880 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.548 -1.191 -4.223 1.00 0.00 C ATOM 0 H PHE A 70 -2.827 -6.596 -4.920 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.651 -5.312 -2.505 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.498 -5.845 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.128 -5.317 -1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.091 -4.300 -5.408 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.342 -3.016 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.921 -1.974 -6.173 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.199 -0.695 -2.171 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.476 -0.169 -4.564 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.499 -8.223 -2.636 1.00 0.00 N ATOM 1135 CA LYS A 71 -1.209 -9.501 -1.975 1.00 0.00 C ATOM 1136 C LYS A 71 -0.215 -9.284 -0.816 1.00 0.00 C ATOM 1137 O LYS A 71 -0.478 -9.653 0.330 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.592 -10.470 -3.014 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.260 -11.873 -2.461 1.00 0.00 C ATOM 1140 CD LYS A 71 0.636 -12.704 -3.408 1.00 0.00 C ATOM 1141 CE LYS A 71 0.049 -12.866 -4.820 1.00 0.00 C ATOM 1142 NZ LYS A 71 0.950 -13.631 -5.712 1.00 0.00 N ATOM 0 H LYS A 71 -1.021 -8.117 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.130 -9.922 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.284 -10.577 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.320 -10.024 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.239 -11.768 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.189 -12.415 -2.281 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.614 -12.228 -3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.794 -13.691 -2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.914 -13.373 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.137 -11.882 -5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.516 -13.717 -6.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.860 -13.135 -5.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.107 -14.580 -5.316 1.00 0.00 H new ATOM 1156 N ASP A 72 0.907 -8.625 -1.156 1.00 0.00 N ATOM 1157 CA ASP A 72 2.041 -8.358 -0.244 1.00 0.00 C ATOM 1158 C ASP A 72 2.360 -6.872 -0.279 1.00 0.00 C ATOM 1159 O ASP A 72 2.032 -6.182 -1.248 1.00 0.00 O ATOM 1160 CB ASP A 72 3.334 -9.144 -0.645 1.00 0.00 C ATOM 1161 CG ASP A 72 3.219 -10.661 -0.433 1.00 0.00 C ATOM 1162 OD1 ASP A 72 3.262 -11.108 0.731 1.00 0.00 O ATOM 1163 OD2 ASP A 72 3.106 -11.410 -1.427 1.00 0.00 O ATOM 0 H ASP A 72 1.057 -8.253 -2.094 1.00 0.00 H new ATOM 0 HA ASP A 72 1.742 -8.686 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.559 -8.948 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.175 -8.766 -0.063 1.00 0.00 H new ATOM 1168 N LEU A 73 3.048 -6.414 0.765 1.00 0.00 N ATOM 1169 CA LEU A 73 3.478 -5.012 0.920 1.00 0.00 C ATOM 1170 C LEU A 73 4.593 -4.669 -0.091 1.00 0.00 C ATOM 1171 O LEU A 73 4.664 -3.531 -0.573 1.00 0.00 O ATOM 1172 CB LEU A 73 3.909 -4.828 2.401 1.00 0.00 C ATOM 1173 CG LEU A 73 4.350 -3.416 2.910 1.00 0.00 C ATOM 1174 CD1 LEU A 73 5.811 -3.068 2.568 1.00 0.00 C ATOM 1175 CD2 LEU A 73 3.371 -2.307 2.458 1.00 0.00 C ATOM 0 H LEU A 73 3.330 -7.010 1.543 1.00 0.00 H new ATOM 0 HA LEU A 73 2.669 -4.315 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.077 -5.154 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.735 -5.514 2.587 1.00 0.00 H new ATOM 0 HG LEU A 73 4.306 -3.468 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.048 -2.075 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.476 -3.801 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.944 -3.081 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.715 -1.343 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.330 -2.279 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.377 -2.516 2.853 1.00 0.00 H new ATOM 1187 N ASN A 74 5.465 -5.661 -0.382 1.00 0.00 N ATOM 1188 CA ASN A 74 6.431 -5.589 -1.511 1.00 0.00 C ATOM 1189 C ASN A 74 5.698 -5.241 -2.815 1.00 0.00 C ATOM 1190 O ASN A 74 6.090 -4.316 -3.518 1.00 0.00 O ATOM 1191 CB ASN A 74 7.210 -6.923 -1.738 1.00 0.00 C ATOM 1192 CG ASN A 74 8.318 -7.202 -0.724 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.412 -6.642 -0.816 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.086 -8.124 0.190 1.00 0.00 N ATOM 0 H ASN A 74 5.522 -6.528 0.152 1.00 0.00 H new ATOM 0 HA ASN A 74 7.150 -4.815 -1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.500 -7.750 -1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.647 -6.906 -2.736 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.822 -8.390 0.844 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.171 -8.571 0.243 1.00 0.00 H new ATOM 1201 N ALA A 75 4.612 -5.987 -3.095 1.00 0.00 N ATOM 1202 CA ALA A 75 3.850 -5.875 -4.352 1.00 0.00 C ATOM 1203 C ALA A 75 3.111 -4.518 -4.448 1.00 0.00 C ATOM 1204 O ALA A 75 3.000 -3.941 -5.538 1.00 0.00 O ATOM 1205 CB ALA A 75 2.875 -7.056 -4.470 1.00 0.00 C ATOM 0 H ALA A 75 4.238 -6.686 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 75 4.548 -5.912 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.312 -6.972 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.435 -7.991 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.185 -7.044 -3.626 1.00 0.00 H new ATOM 1211 N ILE A 76 2.630 -4.024 -3.292 1.00 0.00 N ATOM 1212 CA ILE A 76 1.936 -2.722 -3.181 1.00 0.00 C ATOM 1213 C ILE A 76 2.899 -1.559 -3.445 1.00 0.00 C ATOM 1214 O ILE A 76 2.603 -0.658 -4.229 1.00 0.00 O ATOM 1215 CB ILE A 76 1.277 -2.555 -1.757 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.106 -3.565 -1.590 1.00 0.00 C ATOM 1217 CG2 ILE A 76 0.811 -1.100 -1.457 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.656 -3.451 -0.293 1.00 0.00 C ATOM 0 H ILE A 76 2.711 -4.517 -2.403 1.00 0.00 H new ATOM 0 HA ILE A 76 1.151 -2.704 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 76 2.051 -2.774 -1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.591 -3.429 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.504 -4.576 -1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.368 -1.058 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.667 -0.427 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.071 -0.795 -2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.451 -4.196 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.022 -3.620 0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.090 -2.455 -0.213 1.00 0.00 H new ATOM 1230 N SER A 77 4.050 -1.594 -2.783 1.00 0.00 N ATOM 1231 CA SER A 77 5.012 -0.492 -2.814 1.00 0.00 C ATOM 1232 C SER A 77 5.765 -0.461 -4.147 1.00 0.00 C ATOM 1233 O SER A 77 6.058 0.626 -4.659 1.00 0.00 O ATOM 1234 CB SER A 77 5.995 -0.629 -1.652 1.00 0.00 C ATOM 1235 OG SER A 77 7.002 0.373 -1.682 1.00 0.00 O ATOM 0 H SER A 77 4.345 -2.385 -2.210 1.00 0.00 H new ATOM 0 HA SER A 77 4.467 0.447 -2.713 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.452 -0.568 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.462 -1.613 -1.687 1.00 0.00 H new ATOM 0 HG SER A 77 7.669 0.146 -2.363 1.00 0.00 H new ATOM 1241 N ARG A 78 6.059 -1.661 -4.704 1.00 0.00 N ATOM 1242 CA ARG A 78 6.863 -1.791 -5.934 1.00 0.00 C ATOM 1243 C ARG A 78 6.088 -1.200 -7.120 1.00 0.00 C ATOM 1244 O ARG A 78 6.686 -0.572 -8.008 1.00 0.00 O ATOM 1245 CB ARG A 78 7.267 -3.277 -6.213 1.00 0.00 C ATOM 1246 CG ARG A 78 6.193 -4.154 -6.906 1.00 0.00 C ATOM 1247 CD ARG A 78 6.622 -5.623 -7.071 1.00 0.00 C ATOM 1248 NE ARG A 78 5.788 -6.327 -8.073 1.00 0.00 N ATOM 1249 CZ ARG A 78 6.243 -6.851 -9.236 1.00 0.00 C ATOM 1250 NH1 ARG A 78 7.530 -6.766 -9.558 1.00 0.00 N ATOM 1251 NH2 ARG A 78 5.407 -7.439 -10.076 1.00 0.00 N ATOM 0 H ARG A 78 5.748 -2.552 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 78 7.790 -1.233 -5.797 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.164 -3.279 -6.832 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.533 -3.745 -5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.271 -4.115 -6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.970 -3.735 -7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.668 -5.665 -7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.547 -6.134 -6.111 1.00 0.00 H new ATOM 0 HE ARG A 78 4.793 -6.425 -7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.184 -6.303 -8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.863 -7.164 -10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.414 -7.499 -9.849 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.755 -7.832 -10.951 1.00 0.00 H new ATOM 1265 N THR A 79 4.741 -1.377 -7.112 1.00 0.00 N ATOM 1266 CA THR A 79 3.887 -0.844 -8.170 1.00 0.00 C ATOM 1267 C THR A 79 3.766 0.669 -8.014 1.00 0.00 C ATOM 1268 O THR A 79 3.663 1.341 -9.005 1.00 0.00 O ATOM 1269 CB THR A 79 2.462 -1.496 -8.248 1.00 0.00 C ATOM 1270 OG1 THR A 79 1.831 -1.120 -9.487 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.533 -1.090 -7.088 1.00 0.00 C ATOM 0 H THR A 79 4.239 -1.884 -6.383 1.00 0.00 H new ATOM 0 HA THR A 79 4.375 -1.100 -9.111 1.00 0.00 H new ATOM 0 HB THR A 79 2.614 -2.573 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.015 -1.648 -9.612 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.566 -1.579 -7.208 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.979 -1.395 -6.141 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.396 -0.009 -7.093 1.00 0.00 H new ATOM 1279 N VAL A 80 3.801 1.185 -6.760 1.00 0.00 N ATOM 1280 CA VAL A 80 3.795 2.649 -6.484 1.00 0.00 C ATOM 1281 C VAL A 80 5.069 3.311 -7.052 1.00 0.00 C ATOM 1282 O VAL A 80 5.019 4.433 -7.568 1.00 0.00 O ATOM 1283 CB VAL A 80 3.669 2.945 -4.935 1.00 0.00 C ATOM 1284 CG1 VAL A 80 3.952 4.436 -4.592 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.283 2.502 -4.401 1.00 0.00 C ATOM 0 H VAL A 80 3.834 0.609 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 80 2.923 3.076 -6.980 1.00 0.00 H new ATOM 0 HB VAL A 80 4.436 2.356 -4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.853 4.587 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.964 4.695 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.238 5.072 -5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.219 2.715 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.499 3.047 -4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.155 1.432 -4.566 1.00 0.00 H new ATOM 1295 N GLU A 81 6.192 2.585 -6.957 1.00 0.00 N ATOM 1296 CA GLU A 81 7.496 3.010 -7.501 1.00 0.00 C ATOM 1297 C GLU A 81 7.480 2.996 -9.052 1.00 0.00 C ATOM 1298 O GLU A 81 8.118 3.835 -9.707 1.00 0.00 O ATOM 1299 CB GLU A 81 8.602 2.081 -6.917 1.00 0.00 C ATOM 1300 CG GLU A 81 8.734 2.196 -5.375 1.00 0.00 C ATOM 1301 CD GLU A 81 9.668 1.153 -4.722 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.883 1.160 -5.026 1.00 0.00 O ATOM 1303 OE2 GLU A 81 9.203 0.346 -3.877 1.00 0.00 O ATOM 0 H GLU A 81 6.224 1.676 -6.496 1.00 0.00 H new ATOM 0 HA GLU A 81 7.708 4.038 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.378 1.047 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.558 2.328 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.099 3.193 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.742 2.102 -4.932 1.00 0.00 H new ATOM 1310 N GLN A 82 6.719 2.050 -9.612 1.00 0.00 N ATOM 1311 CA GLN A 82 6.491 1.910 -11.071 1.00 0.00 C ATOM 1312 C GLN A 82 5.431 2.925 -11.562 1.00 0.00 C ATOM 1313 O GLN A 82 5.524 3.422 -12.683 1.00 0.00 O ATOM 1314 CB GLN A 82 6.052 0.447 -11.389 1.00 0.00 C ATOM 1315 CG GLN A 82 5.682 0.158 -12.869 1.00 0.00 C ATOM 1316 CD GLN A 82 6.833 0.336 -13.869 1.00 0.00 C ATOM 1317 OE1 GLN A 82 8.000 0.091 -13.552 1.00 0.00 O ATOM 1318 NE2 GLN A 82 6.512 0.763 -15.089 1.00 0.00 N ATOM 0 H GLN A 82 6.231 1.343 -9.062 1.00 0.00 H new ATOM 0 HA GLN A 82 7.420 2.124 -11.600 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.859 -0.226 -11.098 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.192 0.202 -10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 82 5.311 -0.864 -12.943 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.863 0.816 -13.159 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.538 0.957 -15.321 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.240 0.896 -15.791 1.00 0.00 H new ATOM 1327 N LEU A 83 4.451 3.240 -10.695 1.00 0.00 N ATOM 1328 CA LEU A 83 3.331 4.166 -10.992 1.00 0.00 C ATOM 1329 C LEU A 83 3.806 5.603 -10.880 1.00 0.00 C ATOM 1330 O LEU A 83 3.298 6.482 -11.569 1.00 0.00 O ATOM 1331 CB LEU A 83 2.134 3.925 -10.025 1.00 0.00 C ATOM 1332 CG LEU A 83 1.255 2.677 -10.320 1.00 0.00 C ATOM 1333 CD1 LEU A 83 0.240 2.413 -9.183 1.00 0.00 C ATOM 1334 CD2 LEU A 83 0.564 2.816 -11.692 1.00 0.00 C ATOM 0 H LEU A 83 4.410 2.854 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 83 2.990 3.975 -12.010 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.525 3.837 -9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.494 4.807 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 83 1.906 1.804 -10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.356 1.533 -9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.776 2.243 -8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.416 3.277 -9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.047 1.934 -11.883 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.069 3.703 -11.692 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.320 2.909 -12.472 1.00 0.00 H new ATOM 1346 N LYS A 84 4.819 5.822 -10.031 1.00 0.00 N ATOM 1347 CA LYS A 84 5.480 7.125 -9.886 1.00 0.00 C ATOM 1348 C LYS A 84 6.120 7.540 -11.230 1.00 0.00 C ATOM 1349 O LYS A 84 6.357 8.721 -11.488 1.00 0.00 O ATOM 1350 CB LYS A 84 6.526 7.045 -8.742 1.00 0.00 C ATOM 1351 CG LYS A 84 7.160 8.395 -8.335 1.00 0.00 C ATOM 1352 CD LYS A 84 7.933 8.318 -6.992 1.00 0.00 C ATOM 1353 CE LYS A 84 8.989 7.197 -6.964 1.00 0.00 C ATOM 1354 NZ LYS A 84 10.021 7.374 -8.015 1.00 0.00 N ATOM 0 H LYS A 84 5.204 5.098 -9.424 1.00 0.00 H new ATOM 0 HA LYS A 84 4.751 7.891 -9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.049 6.607 -7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.322 6.365 -9.046 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.840 8.723 -9.121 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.377 9.149 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.422 9.274 -6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.223 8.160 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.469 7.176 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.497 6.233 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.710 6.597 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.568 7.368 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.509 8.281 -7.873 1.00 0.00 H new ATOM 1368 N ALA A 85 6.384 6.524 -12.071 1.00 0.00 N ATOM 1369 CA ALA A 85 6.736 6.695 -13.475 1.00 0.00 C ATOM 1370 C ALA A 85 5.459 6.761 -14.338 1.00 0.00 C ATOM 1371 O ALA A 85 5.192 7.793 -14.948 1.00 0.00 O ATOM 1372 CB ALA A 85 7.664 5.542 -13.911 1.00 0.00 C ATOM 0 H ALA A 85 6.356 5.547 -11.780 1.00 0.00 H new ATOM 0 HA ALA A 85 7.271 7.635 -13.614 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.930 5.666 -14.961 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.569 5.554 -13.304 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.150 4.590 -13.777 1.00 0.00 H new ATOM 1378 N GLU A 86 4.633 5.691 -14.301 1.00 0.00 N ATOM 1379 CA GLU A 86 3.484 5.517 -15.229 1.00 0.00 C ATOM 1380 C GLU A 86 2.461 6.678 -15.146 1.00 0.00 C ATOM 1381 O GLU A 86 2.209 7.355 -16.148 1.00 0.00 O ATOM 1382 CB GLU A 86 2.754 4.173 -14.962 1.00 0.00 C ATOM 1383 CG GLU A 86 3.581 2.912 -15.268 1.00 0.00 C ATOM 1384 CD GLU A 86 2.782 1.615 -15.042 1.00 0.00 C ATOM 1385 OE1 GLU A 86 2.699 1.150 -13.888 1.00 0.00 O ATOM 1386 OE2 GLU A 86 2.226 1.061 -16.017 1.00 0.00 O ATOM 0 H GLU A 86 4.740 4.927 -13.634 1.00 0.00 H new ATOM 0 HA GLU A 86 3.907 5.516 -16.234 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.449 4.144 -13.916 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.843 4.146 -15.561 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.924 2.948 -16.302 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.470 2.902 -14.637 1.00 0.00 H new ATOM 1393 N SER A 87 1.899 6.910 -13.943 1.00 0.00 N ATOM 1394 CA SER A 87 0.872 7.952 -13.728 1.00 0.00 C ATOM 1395 C SER A 87 1.468 9.372 -13.879 1.00 0.00 C ATOM 1396 O SER A 87 0.723 10.334 -14.065 1.00 0.00 O ATOM 1397 CB SER A 87 0.177 7.779 -12.349 1.00 0.00 C ATOM 1398 OG SER A 87 1.052 8.033 -11.263 1.00 0.00 O ATOM 0 H SER A 87 2.140 6.387 -13.101 1.00 0.00 H new ATOM 0 HA SER A 87 0.113 7.830 -14.501 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.677 8.454 -12.289 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.213 6.764 -12.267 1.00 0.00 H new ATOM 0 HG SER A 87 1.788 7.386 -11.278 1.00 0.00 H new ATOM 1404 N ALA A 88 2.816 9.495 -13.801 1.00 0.00 N ATOM 1405 CA ALA A 88 3.510 10.767 -14.075 1.00 0.00 C ATOM 1406 C ALA A 88 3.571 11.025 -15.595 1.00 0.00 C ATOM 1407 O ALA A 88 3.433 12.168 -16.034 1.00 0.00 O ATOM 1408 CB ALA A 88 4.919 10.759 -13.463 1.00 0.00 C ATOM 0 H ALA A 88 3.439 8.727 -13.551 1.00 0.00 H new ATOM 0 HA ALA A 88 2.948 11.577 -13.611 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.414 11.706 -13.677 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.846 10.623 -12.384 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.498 9.942 -13.894 1.00 0.00 H new ATOM 1414 N LEU A 89 3.755 9.940 -16.386 1.00 0.00 N ATOM 1415 CA LEU A 89 3.829 10.005 -17.869 1.00 0.00 C ATOM 1416 C LEU A 89 2.433 10.248 -18.493 1.00 0.00 C ATOM 1417 O LEU A 89 2.344 10.683 -19.649 1.00 0.00 O ATOM 1418 CB LEU A 89 4.453 8.697 -18.446 1.00 0.00 C ATOM 1419 CG LEU A 89 5.893 8.339 -17.959 1.00 0.00 C ATOM 1420 CD1 LEU A 89 6.420 7.051 -18.633 1.00 0.00 C ATOM 1421 CD2 LEU A 89 6.875 9.524 -18.136 1.00 0.00 C ATOM 0 H LEU A 89 3.856 8.995 -16.016 1.00 0.00 H new ATOM 0 HA LEU A 89 4.469 10.847 -18.130 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.793 7.866 -18.199 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.470 8.778 -19.533 1.00 0.00 H new ATOM 0 HG LEU A 89 5.828 8.139 -16.889 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.424 6.835 -18.269 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.759 6.218 -18.392 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.448 7.191 -19.714 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.865 9.232 -17.785 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.930 9.797 -19.190 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.522 10.378 -17.558 1.00 0.00 H new ATOM 1433 N GLU A 90 1.360 9.946 -17.728 1.00 0.00 N ATOM 1434 CA GLU A 90 -0.034 10.193 -18.159 1.00 0.00 C ATOM 1435 C GLU A 90 -0.337 11.710 -18.131 1.00 0.00 C ATOM 1436 CB GLU A 90 -1.036 9.413 -17.259 1.00 0.00 C ATOM 1437 CG GLU A 90 -0.890 7.881 -17.283 1.00 0.00 C ATOM 1438 CD GLU A 90 -1.165 7.261 -18.665 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -2.335 6.925 -18.962 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -0.215 7.098 -19.463 1.00 0.00 O ATOM 0 H GLU A 90 1.435 9.527 -16.801 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.152 9.833 -19.181 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.918 9.756 -16.231 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.050 9.669 -17.566 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.119 7.615 -16.968 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.576 7.447 -16.556 1.00 0.00 H new TER 1447 GLU A 90 HETATM 1448 P24 PNS A 101 -14.611 -1.835 -4.950 1.00 4.42 P HETATM 1449 O25 PNS A 101 -15.834 -2.491 -4.431 1.00 64.32 O HETATM 1450 O26 PNS A 101 -14.796 -0.559 -5.670 1.00 45.23 O HETATM 1451 O27 PNS A 101 -13.803 -2.872 -5.843 1.00 65.24 O HETATM 1452 C28 PNS A 101 -12.531 -2.530 -6.385 1.00 21.53 C HETATM 1453 C29 PNS A 101 -11.764 -3.819 -6.703 1.00 2.24 C HETATM 1454 C30 PNS A 101 -11.627 -4.616 -5.406 1.00 40.40 C HETATM 1455 C31 PNS A 101 -10.377 -3.451 -7.225 1.00 0.35 C HETATM 1456 C32 PNS A 101 -12.545 -4.628 -7.744 1.00 23.53 C HETATM 1457 O33 PNS A 101 -12.713 -3.841 -8.940 1.00 20.41 O HETATM 1458 C34 PNS A 101 -11.843 -5.951 -8.136 1.00 34.44 C HETATM 1459 O35 PNS A 101 -11.062 -5.984 -9.090 1.00 73.13 O HETATM 1460 N36 PNS A 101 -12.151 -7.041 -7.413 1.00 62.10 N HETATM 1461 C37 PNS A 101 -11.575 -8.386 -7.636 1.00 2.25 C HETATM 1462 C38 PNS A 101 -10.697 -8.840 -6.463 1.00 71.24 C HETATM 1463 C39 PNS A 101 -9.496 -7.922 -6.215 1.00 61.20 C HETATM 1464 O40 PNS A 101 -8.612 -7.805 -7.070 1.00 3.23 O HETATM 1465 N41 PNS A 101 -9.486 -7.263 -5.043 1.00 12.14 N HETATM 1466 C42 PNS A 101 -8.443 -6.326 -4.597 1.00 4.34 C HETATM 1467 C43 PNS A 101 -8.663 -5.884 -3.146 1.00 14.41 C HETATM 1468 S44 PNS A 101 -7.342 -4.781 -2.611 1.00 45.51 S HETATM 0 H432 PNS A 101 -9.625 -5.379 -3.056 1.00 14.41 H new HETATM 0 H431 PNS A 101 -8.700 -6.758 -2.496 1.00 14.41 H new HETATM 0 H422 PNS A 101 -8.437 -5.451 -5.247 1.00 4.34 H new HETATM 0 H421 PNS A 101 -7.465 -6.799 -4.689 1.00 4.34 H new HETATM 0 H382 PNS A 101 -10.339 -9.851 -6.656 1.00 71.24 H new HETATM 0 H381 PNS A 101 -11.305 -8.884 -5.559 1.00 71.24 H new HETATM 0 H372 PNS A 101 -10.982 -8.379 -8.550 1.00 2.25 H new HETATM 0 H371 PNS A 101 -12.381 -9.105 -7.784 1.00 2.25 H new HETATM 0 H313 PNS A 101 -9.822 -4.360 -7.455 1.00 0.35 H new HETATM 0 H312 PNS A 101 -9.842 -2.881 -6.465 1.00 0.35 H new HETATM 0 H311 PNS A 101 -10.476 -2.848 -8.128 1.00 0.35 H new HETATM 0 H303 PNS A 101 -11.084 -5.540 -5.603 1.00 40.40 H new HETATM 0 H302 PNS A 101 -12.618 -4.853 -5.018 1.00 40.40 H new HETATM 0 H301 PNS A 101 -11.081 -4.024 -4.671 1.00 40.40 H new HETATM 0 H282 PNS A 101 -11.970 -1.923 -5.675 1.00 21.53 H new HETATM 0 H281 PNS A 101 -12.654 -1.932 -7.288 1.00 21.53 H new HETATM 0 H44 PNS A 101 -7.709 -4.157 -1.531 1.00 45.51 H new HETATM 0 H41 PNS A 101 -10.268 -7.427 -4.409 1.00 12.14 H new HETATM 0 H36 PNS A 101 -12.829 -6.934 -6.658 1.00 62.10 H new HETATM 0 H33 PNS A 101 -12.160 -4.214 -9.658 1.00 20.41 H new HETATM 0 H32 PNS A 101 -13.503 -4.876 -7.287 1.00 23.53 H new