USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 811 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 44 LYS NZ :NH3+ -173:sc= -0.0537 (180deg=0) USER MOD Set 1.2: A 105 ASN : amide:sc= -0.246 K(o=-0.3,f=-2!) USER MOD Single : A 22 MET CE :methyl -172:sc= 0 (180deg=-0.124) USER MOD Single : A 24 GLN : amide:sc= -0.468 K(o=-0.47,f=-5.8!) USER MOD Single : A 25 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.16) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= -0.209 (180deg=-0.27) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.3! C(o=-3.3!,f=-5.9!) USER MOD Single : A 83 SER OG : rot 177:sc= -2.19 USER MOD Single : A 92 GLN : amide:sc= -0.0861 K(o=-0.086,f=-1.8!) USER MOD Single : A 100 GLN : amide:sc= -0.0749 X(o=-0.075,f=-0.27) USER MOD Single : A 102 MET CE :methyl 170:sc= -0.227 (180deg=-0.468) USER MOD Single : A 103 ASN : amide:sc= -1.01 K(o=-1,f=-3.1!) USER MOD Single : A 107 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.144) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot -1:sc= 0.98 USER MOD Single : A 112 ASN : amide:sc= -4.33 K(o=-4.3,f=-7.2!) USER MOD Single : A 113 TYR OH : rot 161:sc= 0.0178 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 1.906 -4.608 -17.847 1.00 0.00 N ATOM 2 CA ALA A 21 2.281 -3.787 -16.667 1.00 0.00 C ATOM 3 C ALA A 21 3.499 -4.371 -15.959 1.00 0.00 C ATOM 4 O ALA A 21 3.657 -5.589 -15.877 1.00 0.00 O ATOM 5 CB ALA A 21 1.110 -3.685 -15.703 1.00 0.00 C ATOM 0 HA ALA A 21 2.539 -2.787 -17.017 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.398 -3.081 -14.843 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.264 -3.218 -16.207 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.827 -4.683 -15.367 1.00 0.00 H new ATOM 13 N MET A 22 4.357 -3.494 -15.449 1.00 0.00 N ATOM 14 CA MET A 22 5.561 -3.924 -14.747 1.00 0.00 C ATOM 15 C MET A 22 5.746 -3.137 -13.460 1.00 0.00 C ATOM 16 O MET A 22 5.301 -1.996 -13.348 1.00 0.00 O ATOM 17 CB MET A 22 6.788 -3.747 -15.652 1.00 0.00 C ATOM 18 CG MET A 22 6.718 -4.550 -16.934 1.00 0.00 C ATOM 19 SD MET A 22 6.862 -3.518 -18.407 1.00 0.00 S ATOM 20 CE MET A 22 5.138 -3.169 -18.745 1.00 0.00 C ATOM 0 H MET A 22 4.241 -2.482 -15.508 1.00 0.00 H new ATOM 0 HA MET A 22 5.452 -4.978 -14.492 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.896 -2.691 -15.900 1.00 0.00 H new ATOM 0 HB3 MET A 22 7.681 -4.038 -15.099 1.00 0.00 H new ATOM 0 HG2 MET A 22 7.515 -5.294 -16.937 1.00 0.00 H new ATOM 0 HG3 MET A 22 5.774 -5.094 -16.967 1.00 0.00 H new ATOM 0 HE1 MET A 22 5.051 -2.660 -19.705 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.577 -4.103 -18.777 1.00 0.00 H new ATOM 0 HE3 MET A 22 4.735 -2.531 -17.959 1.00 0.00 H new ATOM 30 N ALA A 23 6.404 -3.758 -12.488 1.00 0.00 N ATOM 31 CA ALA A 23 6.647 -3.117 -11.194 1.00 0.00 C ATOM 32 C ALA A 23 7.477 -1.848 -11.368 1.00 0.00 C ATOM 33 O ALA A 23 7.915 -1.522 -12.463 1.00 0.00 O ATOM 34 CB ALA A 23 7.343 -4.083 -10.247 1.00 0.00 C ATOM 0 H ALA A 23 6.780 -4.703 -12.568 1.00 0.00 H new ATOM 0 HA ALA A 23 5.685 -2.839 -10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.517 -3.592 -9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.715 -4.961 -10.096 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.297 -4.389 -10.676 1.00 0.00 H new ATOM 40 N GLN A 24 7.688 -1.136 -10.257 1.00 0.00 N ATOM 41 CA GLN A 24 8.466 0.098 -10.288 1.00 0.00 C ATOM 42 C GLN A 24 9.438 0.151 -9.116 1.00 0.00 C ATOM 43 O GLN A 24 9.261 -0.543 -8.116 1.00 0.00 O ATOM 44 CB GLN A 24 7.545 1.323 -10.256 1.00 0.00 C ATOM 45 CG GLN A 24 6.210 1.076 -9.561 1.00 0.00 C ATOM 46 CD GLN A 24 5.083 0.840 -10.546 1.00 0.00 C ATOM 47 OE1 GLN A 24 5.196 0.012 -11.450 1.00 0.00 O ATOM 48 NE2 GLN A 24 3.985 1.568 -10.384 1.00 0.00 N ATOM 0 H GLN A 24 7.334 -1.392 -9.336 1.00 0.00 H new ATOM 0 HA GLN A 24 9.034 0.112 -11.218 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.061 2.140 -9.751 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.356 1.650 -11.279 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.300 0.212 -8.902 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.966 1.932 -8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.929 2.244 -9.622 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.197 1.451 -11.021 1.00 0.00 H new ATOM 57 N ASN A 25 10.467 0.981 -9.241 1.00 0.00 N ATOM 58 CA ASN A 25 11.472 1.129 -8.195 1.00 0.00 C ATOM 59 C ASN A 25 11.414 2.522 -7.577 1.00 0.00 C ATOM 60 O ASN A 25 11.624 3.524 -8.261 1.00 0.00 O ATOM 61 CB ASN A 25 12.870 0.866 -8.768 1.00 0.00 C ATOM 62 CG ASN A 25 13.120 1.614 -10.064 1.00 0.00 C ATOM 63 OD1 ASN A 25 13.781 2.653 -10.069 1.00 0.00 O ATOM 64 ND2 ASN A 25 12.591 1.088 -11.154 1.00 0.00 N ATOM 0 H ASN A 25 10.628 1.565 -10.062 1.00 0.00 H new ATOM 0 HA ASN A 25 11.262 0.399 -7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 25 13.620 1.158 -8.034 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.993 -0.203 -8.941 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.722 1.545 -12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.052 0.224 -11.093 1.00 0.00 H new ATOM 71 N ILE A 26 11.129 2.577 -6.288 1.00 0.00 N ATOM 72 CA ILE A 26 11.046 3.848 -5.576 1.00 0.00 C ATOM 73 C ILE A 26 12.069 3.911 -4.439 1.00 0.00 C ATOM 74 O ILE A 26 12.263 2.940 -3.716 1.00 0.00 O ATOM 75 CB ILE A 26 9.637 4.073 -4.992 1.00 0.00 C ATOM 76 CG1 ILE A 26 8.572 3.874 -6.072 1.00 0.00 C ATOM 77 CG2 ILE A 26 9.530 5.466 -4.379 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.300 3.237 -5.556 1.00 0.00 C ATOM 0 H ILE A 26 10.950 1.757 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 26 11.262 4.632 -6.302 1.00 0.00 H new ATOM 0 HB ILE A 26 9.467 3.339 -4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.331 4.840 -6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.984 3.252 -6.867 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.529 5.608 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.265 5.570 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.719 6.217 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.590 3.126 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.528 2.256 -5.138 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.865 3.869 -4.782 1.00 0.00 H new ATOM 90 N THR A 27 12.723 5.060 -4.305 1.00 0.00 N ATOM 91 CA THR A 27 13.729 5.249 -3.266 1.00 0.00 C ATOM 92 C THR A 27 13.099 5.799 -1.989 1.00 0.00 C ATOM 93 O THR A 27 12.216 6.655 -2.039 1.00 0.00 O ATOM 94 CB THR A 27 14.827 6.195 -3.755 1.00 0.00 C ATOM 95 OG1 THR A 27 14.267 7.305 -4.433 1.00 0.00 O ATOM 96 CG2 THR A 27 15.813 5.532 -4.694 1.00 0.00 C ATOM 0 H THR A 27 12.575 5.874 -4.902 1.00 0.00 H new ATOM 0 HA THR A 27 14.169 4.277 -3.042 1.00 0.00 H new ATOM 0 HB THR A 27 15.360 6.509 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 27 14.985 7.899 -4.736 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.565 6.258 -5.003 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.299 4.701 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.285 5.160 -5.572 1.00 0.00 H new ATOM 104 N ALA A 28 13.560 5.299 -0.856 1.00 0.00 N ATOM 105 CA ALA A 28 13.045 5.737 0.436 1.00 0.00 C ATOM 106 C ALA A 28 14.152 5.774 1.477 1.00 0.00 C ATOM 107 O ALA A 28 15.212 5.175 1.295 1.00 0.00 O ATOM 108 CB ALA A 28 11.916 4.822 0.882 1.00 0.00 C ATOM 0 H ALA A 28 14.290 4.589 -0.801 1.00 0.00 H new ATOM 0 HA ALA A 28 12.655 6.749 0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.537 5.156 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.112 4.851 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.289 3.802 0.972 1.00 0.00 H new ATOM 114 N ARG A 29 13.901 6.484 2.580 1.00 0.00 N ATOM 115 CA ARG A 29 14.877 6.599 3.649 1.00 0.00 C ATOM 116 C ARG A 29 14.336 6.002 4.945 1.00 0.00 C ATOM 117 O ARG A 29 13.204 6.280 5.343 1.00 0.00 O ATOM 118 CB ARG A 29 15.257 8.065 3.867 1.00 0.00 C ATOM 119 CG ARG A 29 16.417 8.255 4.831 1.00 0.00 C ATOM 120 CD ARG A 29 16.223 9.485 5.712 1.00 0.00 C ATOM 121 NE ARG A 29 16.321 9.167 7.127 1.00 0.00 N ATOM 122 CZ ARG A 29 17.450 8.796 7.727 1.00 0.00 C ATOM 123 NH1 ARG A 29 18.578 8.700 7.033 1.00 0.00 N ATOM 124 NH2 ARG A 29 17.452 8.523 9.025 1.00 0.00 N ATOM 0 H ARG A 29 13.029 6.985 2.749 1.00 0.00 H new ATOM 0 HA ARG A 29 15.767 6.041 3.357 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.516 8.511 2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.389 8.605 4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.517 7.370 5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.345 8.353 4.268 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.972 10.234 5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.248 9.927 5.507 1.00 0.00 H new ATOM 0 HE ARG A 29 15.475 9.232 7.693 1.00 0.00 H new ATOM 0 HH11 ARG A 29 18.582 8.911 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 29 19.440 8.415 7.498 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.589 8.597 9.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 18.317 8.239 9.485 1.00 0.00 H new ATOM 138 N ILE A 30 15.151 5.179 5.597 1.00 0.00 N ATOM 139 CA ILE A 30 14.756 4.537 6.849 1.00 0.00 C ATOM 140 C ILE A 30 14.340 5.565 7.897 1.00 0.00 C ATOM 141 O ILE A 30 15.072 6.516 8.184 1.00 0.00 O ATOM 142 CB ILE A 30 15.888 3.664 7.430 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.251 4.330 7.232 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.869 2.280 6.798 1.00 0.00 C ATOM 145 CD1 ILE A 30 18.127 4.313 8.458 1.00 0.00 C ATOM 0 H ILE A 30 16.090 4.940 5.280 1.00 0.00 H new ATOM 0 HA ILE A 30 13.905 3.900 6.608 1.00 0.00 H new ATOM 0 HB ILE A 30 15.720 3.558 8.502 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.774 3.828 6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 30 17.097 5.364 6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.674 1.677 7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.912 1.800 7.001 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.008 2.370 5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.074 4.804 8.235 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.627 4.841 9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 30 18.314 3.282 8.757 1.00 0.00 H new ATOM 157 N GLY A 31 13.161 5.364 8.479 1.00 0.00 N ATOM 158 CA GLY A 31 12.667 6.274 9.497 1.00 0.00 C ATOM 159 C GLY A 31 12.125 7.572 8.925 1.00 0.00 C ATOM 160 O GLY A 31 11.714 8.459 9.673 1.00 0.00 O ATOM 0 H GLY A 31 12.538 4.586 8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.881 5.779 10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.473 6.500 10.195 1.00 0.00 H new ATOM 164 N GLU A 32 12.121 7.690 7.608 1.00 0.00 N ATOM 165 CA GLU A 32 11.624 8.895 6.945 1.00 0.00 C ATOM 166 C GLU A 32 10.176 8.711 6.490 1.00 0.00 C ATOM 167 O GLU A 32 9.823 7.670 5.944 1.00 0.00 O ATOM 168 CB GLU A 32 12.506 9.245 5.745 1.00 0.00 C ATOM 169 CG GLU A 32 12.421 10.707 5.335 1.00 0.00 C ATOM 170 CD GLU A 32 13.059 11.634 6.350 1.00 0.00 C ATOM 171 OE1 GLU A 32 14.299 11.780 6.325 1.00 0.00 O ATOM 172 OE2 GLU A 32 12.319 12.215 7.171 1.00 0.00 O ATOM 0 H GLU A 32 12.456 6.967 6.971 1.00 0.00 H new ATOM 0 HA GLU A 32 11.659 9.713 7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.542 9.002 5.982 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.218 8.621 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.910 10.839 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.375 10.983 5.203 1.00 0.00 H new ATOM 179 N PRO A 33 9.312 9.721 6.715 1.00 0.00 N ATOM 180 CA PRO A 33 7.901 9.654 6.318 1.00 0.00 C ATOM 181 C PRO A 33 7.731 9.668 4.802 1.00 0.00 C ATOM 182 O PRO A 33 8.483 10.335 4.091 1.00 0.00 O ATOM 183 CB PRO A 33 7.278 10.917 6.934 1.00 0.00 C ATOM 184 CG PRO A 33 8.296 11.440 7.893 1.00 0.00 C ATOM 185 CD PRO A 33 9.630 10.999 7.376 1.00 0.00 C ATOM 0 HA PRO A 33 7.432 8.730 6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.048 11.655 6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.343 10.684 7.443 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.245 12.527 7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.120 11.051 8.896 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.054 11.722 6.679 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.354 10.870 8.180 1.00 0.00 H new ATOM 193 N LEU A 34 6.737 8.932 4.313 1.00 0.00 N ATOM 194 CA LEU A 34 6.472 8.867 2.888 1.00 0.00 C ATOM 195 C LEU A 34 4.979 8.735 2.605 1.00 0.00 C ATOM 196 O LEU A 34 4.272 8.001 3.297 1.00 0.00 O ATOM 197 CB LEU A 34 7.219 7.688 2.253 1.00 0.00 C ATOM 198 CG LEU A 34 8.646 7.994 1.801 1.00 0.00 C ATOM 199 CD1 LEU A 34 9.587 8.028 3.004 1.00 0.00 C ATOM 200 CD2 LEU A 34 9.111 6.969 0.778 1.00 0.00 C ATOM 0 H LEU A 34 6.104 8.374 4.886 1.00 0.00 H new ATOM 0 HA LEU A 34 6.827 9.799 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.249 6.868 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.649 7.338 1.393 1.00 0.00 H new ATOM 0 HG LEU A 34 8.660 8.976 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.600 8.247 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.261 8.801 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.572 7.060 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.129 7.202 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 34 9.086 5.974 1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.451 6.996 -0.089 1.00 0.00 H new ATOM 212 N VAL A 35 4.506 9.444 1.586 1.00 0.00 N ATOM 213 CA VAL A 35 3.098 9.401 1.215 1.00 0.00 C ATOM 214 C VAL A 35 2.934 9.056 -0.246 1.00 0.00 C ATOM 215 O VAL A 35 3.710 9.510 -1.087 1.00 0.00 O ATOM 216 CB VAL A 35 2.395 10.740 1.505 1.00 0.00 C ATOM 217 CG1 VAL A 35 0.890 10.604 1.335 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.737 11.229 2.912 1.00 0.00 C ATOM 0 H VAL A 35 5.078 10.055 1.003 1.00 0.00 H new ATOM 0 HA VAL A 35 2.633 8.624 1.822 1.00 0.00 H new ATOM 0 HB VAL A 35 2.753 11.479 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.412 11.561 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.665 10.302 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.512 9.851 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.232 12.176 3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.409 10.491 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.815 11.369 2.997 1.00 0.00 H new ATOM 228 N LEU A 36 1.925 8.248 -0.554 1.00 0.00 N ATOM 229 CA LEU A 36 1.668 7.839 -1.930 1.00 0.00 C ATOM 230 C LEU A 36 0.175 7.648 -2.177 1.00 0.00 C ATOM 231 O LEU A 36 -0.557 7.195 -1.299 1.00 0.00 O ATOM 232 CB LEU A 36 2.418 6.542 -2.243 1.00 0.00 C ATOM 233 CG LEU A 36 3.561 6.683 -3.249 1.00 0.00 C ATOM 234 CD1 LEU A 36 4.303 5.363 -3.399 1.00 0.00 C ATOM 235 CD2 LEU A 36 3.029 7.155 -4.594 1.00 0.00 C ATOM 0 H LEU A 36 1.273 7.864 0.130 1.00 0.00 H new ATOM 0 HA LEU A 36 2.025 8.630 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.820 6.139 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.705 5.811 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 36 4.262 7.430 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.113 5.481 -4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.715 5.065 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.613 4.596 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.855 7.250 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.309 6.431 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.542 8.122 -4.473 1.00 0.00 H new ATOM 247 N LYS A 37 -0.270 7.993 -3.381 1.00 0.00 N ATOM 248 CA LYS A 37 -1.675 7.855 -3.745 1.00 0.00 C ATOM 249 C LYS A 37 -1.894 6.605 -4.593 1.00 0.00 C ATOM 250 O LYS A 37 -1.222 6.403 -5.603 1.00 0.00 O ATOM 251 CB LYS A 37 -2.151 9.093 -4.510 1.00 0.00 C ATOM 252 CG LYS A 37 -1.997 10.387 -3.727 1.00 0.00 C ATOM 253 CD LYS A 37 -0.618 10.997 -3.932 1.00 0.00 C ATOM 254 CE LYS A 37 -0.698 12.503 -4.119 1.00 0.00 C ATOM 255 NZ LYS A 37 -0.890 13.221 -2.829 1.00 0.00 N ATOM 0 H LYS A 37 0.322 8.370 -4.121 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.255 7.759 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.590 9.172 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.199 8.963 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.762 11.098 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.158 10.194 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.013 10.769 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.145 10.546 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.215 12.857 -4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.523 12.741 -4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.939 14.245 -3.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.775 12.904 -2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.091 13.017 -2.196 1.00 0.00 H new ATOM 269 N CYS A 38 -2.839 5.769 -4.174 1.00 0.00 N ATOM 270 CA CYS A 38 -3.144 4.539 -4.898 1.00 0.00 C ATOM 271 C CYS A 38 -4.460 4.666 -5.657 1.00 0.00 C ATOM 272 O CYS A 38 -5.521 4.303 -5.149 1.00 0.00 O ATOM 273 CB CYS A 38 -3.209 3.355 -3.930 1.00 0.00 C ATOM 274 SG CYS A 38 -2.329 1.869 -4.514 1.00 0.00 S ATOM 0 H CYS A 38 -3.406 5.920 -3.339 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.346 4.364 -5.620 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.789 3.660 -2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.254 3.100 -3.754 1.00 0.00 H new ATOM 279 N LYS A 39 -4.384 5.186 -6.879 1.00 0.00 N ATOM 280 CA LYS A 39 -5.569 5.361 -7.709 1.00 0.00 C ATOM 281 C LYS A 39 -6.115 4.013 -8.169 1.00 0.00 C ATOM 282 O LYS A 39 -5.629 2.961 -7.753 1.00 0.00 O ATOM 283 CB LYS A 39 -5.242 6.232 -8.932 1.00 0.00 C ATOM 284 CG LYS A 39 -4.196 5.625 -9.843 1.00 0.00 C ATOM 285 CD LYS A 39 -4.121 6.365 -11.169 1.00 0.00 C ATOM 286 CE LYS A 39 -4.864 5.619 -12.265 1.00 0.00 C ATOM 287 NZ LYS A 39 -4.774 6.321 -13.575 1.00 0.00 N ATOM 0 H LYS A 39 -3.514 5.493 -7.315 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.330 5.859 -7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.155 6.401 -9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.894 7.207 -8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.223 5.654 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.432 4.576 -10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.545 7.363 -11.055 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.078 6.493 -11.457 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.453 4.614 -12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.911 5.509 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.294 5.780 -14.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.189 7.271 -13.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.776 6.404 -13.857 1.00 0.00 H new ATOM 301 N GLY A 40 -7.129 4.051 -9.036 1.00 0.00 N ATOM 302 CA GLY A 40 -7.722 2.824 -9.536 1.00 0.00 C ATOM 303 C GLY A 40 -9.213 2.954 -9.784 1.00 0.00 C ATOM 304 O GLY A 40 -9.787 2.185 -10.556 1.00 0.00 O ATOM 0 H GLY A 40 -7.547 4.908 -9.398 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.227 2.538 -10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.545 2.022 -8.820 1.00 0.00 H new ATOM 308 N ALA A 41 -9.842 3.926 -9.128 1.00 0.00 N ATOM 309 CA ALA A 41 -11.277 4.152 -9.280 1.00 0.00 C ATOM 310 C ALA A 41 -11.667 4.279 -10.746 1.00 0.00 C ATOM 311 O ALA A 41 -11.404 5.302 -11.377 1.00 0.00 O ATOM 312 CB ALA A 41 -11.694 5.399 -8.516 1.00 0.00 C ATOM 0 H ALA A 41 -9.380 4.570 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.799 3.288 -8.869 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.766 5.558 -8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.462 5.272 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.153 6.262 -8.905 1.00 0.00 H new ATOM 318 N PRO A 42 -12.303 3.238 -11.324 1.00 0.00 N ATOM 319 CA PRO A 42 -12.726 3.244 -12.721 1.00 0.00 C ATOM 320 C PRO A 42 -13.743 4.343 -13.010 1.00 0.00 C ATOM 321 O PRO A 42 -13.861 5.309 -12.264 1.00 0.00 O ATOM 322 CB PRO A 42 -13.362 1.862 -12.922 1.00 0.00 C ATOM 323 CG PRO A 42 -12.860 1.032 -11.791 1.00 0.00 C ATOM 324 CD PRO A 42 -12.660 1.977 -10.652 1.00 0.00 C ATOM 0 HA PRO A 42 -11.890 3.438 -13.393 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.450 1.924 -12.912 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.076 1.433 -13.882 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.575 0.252 -11.531 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.927 0.534 -12.055 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.564 2.082 -10.052 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.869 1.639 -9.982 1.00 0.00 H new ATOM 332 N LYS A 43 -14.478 4.189 -14.116 1.00 0.00 N ATOM 333 CA LYS A 43 -15.487 5.169 -14.497 1.00 0.00 C ATOM 334 C LYS A 43 -16.714 5.085 -13.593 1.00 0.00 C ATOM 335 O LYS A 43 -17.502 6.027 -13.514 1.00 0.00 O ATOM 336 CB LYS A 43 -15.897 4.956 -15.955 1.00 0.00 C ATOM 337 CG LYS A 43 -16.242 6.244 -16.692 1.00 0.00 C ATOM 338 CD LYS A 43 -17.182 5.989 -17.851 1.00 0.00 C ATOM 339 CE LYS A 43 -17.036 7.053 -18.926 1.00 0.00 C ATOM 340 NZ LYS A 43 -17.778 8.297 -18.588 1.00 0.00 N ATOM 0 H LYS A 43 -14.391 3.399 -14.756 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.052 6.162 -14.383 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.085 4.454 -16.481 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.758 4.289 -15.987 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.701 6.949 -15.999 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.328 6.709 -17.060 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.978 5.007 -18.278 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -18.211 5.972 -17.491 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.980 7.287 -19.062 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.401 6.661 -19.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.650 8.995 -19.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.790 8.080 -18.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.413 8.687 -17.696 1.00 0.00 H new ATOM 354 N LYS A 44 -16.871 3.953 -12.914 1.00 0.00 N ATOM 355 CA LYS A 44 -18.003 3.751 -12.017 1.00 0.00 C ATOM 356 C LYS A 44 -17.591 3.967 -10.562 1.00 0.00 C ATOM 357 O LYS A 44 -16.477 3.621 -10.176 1.00 0.00 O ATOM 358 CB LYS A 44 -18.577 2.344 -12.195 1.00 0.00 C ATOM 359 CG LYS A 44 -19.056 2.057 -13.609 1.00 0.00 C ATOM 360 CD LYS A 44 -20.007 0.871 -13.645 1.00 0.00 C ATOM 361 CE LYS A 44 -19.784 0.013 -14.888 1.00 0.00 C ATOM 362 NZ LYS A 44 -19.891 -1.440 -14.574 1.00 0.00 N ATOM 0 H LYS A 44 -16.229 3.162 -12.968 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.770 4.483 -12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.816 1.613 -11.923 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.409 2.210 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.556 2.938 -14.011 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.198 1.857 -14.251 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.866 0.263 -12.752 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.037 1.228 -13.628 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.517 0.277 -15.650 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.800 0.225 -15.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.619 -1.997 -15.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -19.258 -1.672 -13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -20.871 -1.667 -14.311 1.00 0.00 H new ATOM 376 N PRO A 45 -18.487 4.543 -9.748 1.00 0.00 N ATOM 377 CA PRO A 45 -18.205 4.802 -8.323 1.00 0.00 C ATOM 378 C PRO A 45 -17.793 3.537 -7.580 1.00 0.00 C ATOM 379 O PRO A 45 -18.622 2.665 -7.310 1.00 0.00 O ATOM 380 CB PRO A 45 -19.538 5.329 -7.788 1.00 0.00 C ATOM 381 CG PRO A 45 -20.255 5.860 -8.980 1.00 0.00 C ATOM 382 CD PRO A 45 -19.839 4.989 -10.125 1.00 0.00 C ATOM 0 HA PRO A 45 -17.375 5.495 -8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.110 4.536 -7.306 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.382 6.109 -7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -21.335 5.826 -8.835 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -19.991 6.901 -9.164 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -20.518 4.146 -10.255 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -19.832 5.540 -11.066 1.00 0.00 H new ATOM 390 N PRO A 46 -16.502 3.418 -7.210 1.00 0.00 N ATOM 391 CA PRO A 46 -15.994 2.249 -6.485 1.00 0.00 C ATOM 392 C PRO A 46 -16.513 2.191 -5.051 1.00 0.00 C ATOM 393 O PRO A 46 -16.597 3.213 -4.370 1.00 0.00 O ATOM 394 CB PRO A 46 -14.477 2.454 -6.504 1.00 0.00 C ATOM 395 CG PRO A 46 -14.294 3.924 -6.633 1.00 0.00 C ATOM 396 CD PRO A 46 -15.441 4.408 -7.477 1.00 0.00 C ATOM 0 HA PRO A 46 -16.314 1.311 -6.939 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.015 2.076 -5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.017 1.923 -7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -14.298 4.406 -5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.338 4.159 -7.101 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.750 5.415 -7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.177 4.439 -8.534 1.00 0.00 H new ATOM 404 N GLN A 47 -16.861 0.991 -4.608 1.00 0.00 N ATOM 405 CA GLN A 47 -17.374 0.804 -3.246 1.00 0.00 C ATOM 406 C GLN A 47 -16.611 -0.296 -2.506 1.00 0.00 C ATOM 407 O GLN A 47 -16.973 -0.662 -1.387 1.00 0.00 O ATOM 408 CB GLN A 47 -18.865 0.463 -3.290 1.00 0.00 C ATOM 409 CG GLN A 47 -19.771 1.671 -3.113 1.00 0.00 C ATOM 410 CD GLN A 47 -20.890 1.421 -2.121 1.00 0.00 C ATOM 411 OE1 GLN A 47 -20.661 1.355 -0.914 1.00 0.00 O ATOM 412 NE2 GLN A 47 -22.109 1.280 -2.636 1.00 0.00 N ATOM 0 H GLN A 47 -16.801 0.136 -5.161 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.229 1.738 -2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -19.092 -0.014 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -19.086 -0.264 -2.509 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -19.176 2.520 -2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -20.200 1.943 -4.077 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -22.247 1.343 -3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -22.905 1.109 -2.022 1.00 0.00 H new ATOM 421 N ARG A 48 -15.560 -0.821 -3.129 1.00 0.00 N ATOM 422 CA ARG A 48 -14.761 -1.875 -2.515 1.00 0.00 C ATOM 423 C ARG A 48 -13.278 -1.683 -2.828 1.00 0.00 C ATOM 424 O ARG A 48 -12.911 -1.199 -3.891 1.00 0.00 O ATOM 425 CB ARG A 48 -15.227 -3.247 -3.020 1.00 0.00 C ATOM 426 CG ARG A 48 -15.739 -4.153 -1.903 1.00 0.00 C ATOM 427 CD ARG A 48 -15.339 -5.602 -2.140 1.00 0.00 C ATOM 428 NE ARG A 48 -14.413 -6.084 -1.109 1.00 0.00 N ATOM 429 CZ ARG A 48 -14.773 -6.373 0.123 1.00 0.00 C ATOM 430 NH1 ARG A 48 -16.036 -6.233 0.507 1.00 0.00 N ATOM 431 NH2 ARG A 48 -13.868 -6.803 0.991 1.00 0.00 N ATOM 0 H ARG A 48 -15.243 -0.535 -4.055 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.896 -1.823 -1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.017 -3.107 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.399 -3.740 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.341 -3.815 -0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.825 -4.079 -1.840 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.231 -6.229 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.873 -5.695 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.432 -6.202 -1.362 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.736 -5.899 -0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.306 -6.459 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.895 -6.909 0.703 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.144 -7.028 1.947 1.00 0.00 H new ATOM 445 N LEU A 49 -12.432 -2.066 -1.870 1.00 0.00 N ATOM 446 CA LEU A 49 -10.988 -1.938 -2.034 1.00 0.00 C ATOM 447 C LEU A 49 -10.249 -2.893 -1.101 1.00 0.00 C ATOM 448 O LEU A 49 -10.688 -3.144 0.012 1.00 0.00 O ATOM 449 CB LEU A 49 -10.548 -0.497 -1.765 1.00 0.00 C ATOM 450 CG LEU A 49 -9.034 -0.265 -1.791 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.703 1.032 -2.514 1.00 0.00 C ATOM 452 CD2 LEU A 49 -8.475 -0.245 -0.375 1.00 0.00 C ATOM 0 H LEU A 49 -12.723 -2.465 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.739 -2.199 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.012 0.153 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.930 -0.193 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.569 -1.088 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.623 1.179 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.070 0.981 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.179 1.867 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.398 -0.079 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.947 0.558 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.679 -1.199 0.110 1.00 0.00 H new ATOM 464 N GLU A 50 -9.124 -3.420 -1.573 1.00 0.00 N ATOM 465 CA GLU A 50 -8.324 -4.347 -0.781 1.00 0.00 C ATOM 466 C GLU A 50 -6.836 -4.063 -0.956 1.00 0.00 C ATOM 467 O GLU A 50 -6.379 -3.716 -2.038 1.00 0.00 O ATOM 468 CB GLU A 50 -8.628 -5.790 -1.196 1.00 0.00 C ATOM 469 CG GLU A 50 -8.379 -6.071 -2.662 1.00 0.00 C ATOM 470 CD GLU A 50 -9.393 -7.031 -3.251 1.00 0.00 C ATOM 471 OE1 GLU A 50 -10.527 -6.594 -3.548 1.00 0.00 O ATOM 472 OE2 GLU A 50 -9.054 -8.221 -3.432 1.00 0.00 O ATOM 0 H GLU A 50 -8.746 -3.221 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.583 -4.211 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.018 -6.466 -0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.670 -6.012 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.406 -5.134 -3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.378 -6.485 -2.784 1.00 0.00 H new ATOM 479 N TRP A 51 -6.085 -4.212 0.122 1.00 0.00 N ATOM 480 CA TRP A 51 -4.647 -3.970 0.095 1.00 0.00 C ATOM 481 C TRP A 51 -3.876 -5.286 0.096 1.00 0.00 C ATOM 482 O TRP A 51 -4.156 -6.186 0.881 1.00 0.00 O ATOM 483 CB TRP A 51 -4.226 -3.125 1.299 1.00 0.00 C ATOM 484 CG TRP A 51 -3.187 -2.098 0.967 1.00 0.00 C ATOM 485 CD1 TRP A 51 -3.246 -1.166 -0.013 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.934 -1.900 1.630 1.00 0.00 C ATOM 487 NE1 TRP A 51 -2.105 -0.399 -0.009 1.00 0.00 N ATOM 488 CE2 TRP A 51 -1.284 -0.831 0.992 1.00 0.00 C ATOM 489 CE3 TRP A 51 -1.297 -2.522 2.709 1.00 0.00 C ATOM 490 CZ2 TRP A 51 -0.031 -0.371 1.388 1.00 0.00 C ATOM 491 CZ3 TRP A 51 -0.053 -2.064 3.101 1.00 0.00 C ATOM 492 CH2 TRP A 51 0.568 -0.997 2.439 1.00 0.00 C ATOM 0 H TRP A 51 -6.446 -4.500 1.031 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.414 -3.428 -0.822 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -5.104 -2.625 1.708 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.841 -3.782 2.079 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.071 -1.043 -0.699 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.905 0.369 -0.650 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.768 -3.345 3.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.449 0.453 0.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.449 -2.537 3.932 1.00 0.00 H new ATOM 0 HH2 TRP A 51 1.541 -0.664 2.769 1.00 0.00 H new ATOM 503 N LYS A 52 -2.903 -5.392 -0.794 1.00 0.00 N ATOM 504 CA LYS A 52 -2.091 -6.599 -0.901 1.00 0.00 C ATOM 505 C LYS A 52 -0.650 -6.257 -1.266 1.00 0.00 C ATOM 506 O LYS A 52 -0.400 -5.391 -2.103 1.00 0.00 O ATOM 507 CB LYS A 52 -2.685 -7.547 -1.947 1.00 0.00 C ATOM 508 CG LYS A 52 -3.601 -8.606 -1.355 1.00 0.00 C ATOM 509 CD LYS A 52 -4.312 -9.397 -2.441 1.00 0.00 C ATOM 510 CE LYS A 52 -5.679 -9.874 -1.978 1.00 0.00 C ATOM 511 NZ LYS A 52 -6.067 -11.159 -2.622 1.00 0.00 N ATOM 0 H LYS A 52 -2.654 -4.657 -1.455 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.091 -7.094 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.243 -6.964 -2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.873 -8.039 -2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.019 -9.284 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.338 -8.131 -0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.424 -8.777 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.703 -10.255 -2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.672 -9.998 -0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.425 -9.113 -2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.005 -11.450 -2.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.098 -11.034 -3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.369 -11.892 -2.383 1.00 0.00 H new ATOM 525 N LEU A 53 0.293 -6.945 -0.631 1.00 0.00 N ATOM 526 CA LEU A 53 1.710 -6.715 -0.886 1.00 0.00 C ATOM 527 C LEU A 53 2.509 -8.002 -0.706 1.00 0.00 C ATOM 528 O LEU A 53 2.068 -8.930 -0.027 1.00 0.00 O ATOM 529 CB LEU A 53 2.249 -5.631 0.033 1.00 0.00 C ATOM 530 CG LEU A 53 1.986 -5.871 1.521 1.00 0.00 C ATOM 531 CD1 LEU A 53 3.147 -6.620 2.155 1.00 0.00 C ATOM 532 CD2 LEU A 53 1.745 -4.551 2.238 1.00 0.00 C ATOM 0 H LEU A 53 0.101 -7.667 0.064 1.00 0.00 H new ATOM 0 HA LEU A 53 1.818 -6.383 -1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.324 -5.542 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.805 -4.677 -0.252 1.00 0.00 H new ATOM 0 HG LEU A 53 1.090 -6.484 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.941 -6.781 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.273 -7.582 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.060 -6.034 2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.560 -4.740 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.623 -3.914 2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.880 -4.052 1.801 1.00 0.00 H new ATOM 544 N ASN A 54 3.688 -8.051 -1.319 1.00 0.00 N ATOM 545 CA ASN A 54 4.549 -9.225 -1.226 1.00 0.00 C ATOM 546 C ASN A 54 5.929 -8.846 -0.697 1.00 0.00 C ATOM 547 O ASN A 54 6.643 -8.050 -1.307 1.00 0.00 O ATOM 548 CB ASN A 54 4.679 -9.896 -2.604 1.00 0.00 C ATOM 549 CG ASN A 54 4.351 -11.376 -2.547 1.00 0.00 C ATOM 550 OD1 ASN A 54 3.435 -11.843 -3.222 1.00 0.00 O ATOM 551 ND2 ASN A 54 5.103 -12.121 -1.745 1.00 0.00 N ATOM 0 H ASN A 54 4.068 -7.292 -1.885 1.00 0.00 H new ATOM 0 HA ASN A 54 4.095 -9.928 -0.528 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.012 -9.404 -3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.694 -9.764 -2.978 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.931 -13.124 -1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 54 5.852 -11.691 -1.203 1.00 0.00 H new ATOM 558 N THR A 55 6.298 -9.422 0.427 1.00 0.00 N ATOM 559 CA THR A 55 7.592 -9.145 1.039 1.00 0.00 C ATOM 560 C THR A 55 8.264 -10.434 1.498 1.00 0.00 C ATOM 561 O THR A 55 7.689 -11.517 1.400 1.00 0.00 O ATOM 562 CB THR A 55 7.426 -8.193 2.225 1.00 0.00 C ATOM 563 OG1 THR A 55 6.219 -7.460 2.115 1.00 0.00 O ATOM 564 CG2 THR A 55 8.558 -7.196 2.364 1.00 0.00 C ATOM 0 H THR A 55 5.722 -10.088 0.942 1.00 0.00 H new ATOM 0 HA THR A 55 8.226 -8.673 0.289 1.00 0.00 H new ATOM 0 HB THR A 55 7.422 -8.834 3.107 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.130 -6.858 2.883 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.374 -6.554 3.225 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.498 -7.730 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.618 -6.586 1.463 1.00 0.00 H new ATOM 572 N GLY A 56 9.486 -10.311 2.016 1.00 0.00 N ATOM 573 CA GLY A 56 10.214 -11.476 2.484 1.00 0.00 C ATOM 574 C GLY A 56 9.489 -12.206 3.589 1.00 0.00 C ATOM 575 O GLY A 56 9.242 -13.408 3.493 1.00 0.00 O ATOM 0 H GLY A 56 9.982 -9.426 2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.378 -12.158 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.197 -11.167 2.841 1.00 0.00 H new ATOM 579 N ARG A 57 9.146 -11.478 4.645 1.00 0.00 N ATOM 580 CA ARG A 57 8.442 -12.063 5.782 1.00 0.00 C ATOM 581 C ARG A 57 6.935 -11.870 5.656 1.00 0.00 C ATOM 582 O ARG A 57 6.150 -12.656 6.179 1.00 0.00 O ATOM 583 CB ARG A 57 8.936 -11.441 7.089 1.00 0.00 C ATOM 584 CG ARG A 57 8.987 -12.423 8.250 1.00 0.00 C ATOM 585 CD ARG A 57 10.406 -12.612 8.762 1.00 0.00 C ATOM 586 NE ARG A 57 11.128 -13.637 8.013 1.00 0.00 N ATOM 587 CZ ARG A 57 12.451 -13.771 8.027 1.00 0.00 C ATOM 588 NH1 ARG A 57 13.201 -12.948 8.756 1.00 0.00 N ATOM 589 NH2 ARG A 57 13.027 -14.731 7.324 1.00 0.00 N ATOM 0 H ARG A 57 9.343 -10.482 4.739 1.00 0.00 H new ATOM 0 HA ARG A 57 8.652 -13.133 5.790 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.932 -11.026 6.931 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.283 -10.610 7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.352 -12.063 9.060 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.583 -13.384 7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.945 -11.667 8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.377 -12.887 9.816 1.00 0.00 H new ATOM 0 HE ARG A 57 10.586 -14.288 7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.761 -12.211 9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.215 -13.055 8.764 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.457 -15.370 6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.042 -14.833 7.335 1.00 0.00 H new ATOM 603 N THR A 58 6.537 -10.819 4.938 1.00 0.00 N ATOM 604 CA THR A 58 5.123 -10.522 4.740 1.00 0.00 C ATOM 605 C THR A 58 4.442 -10.173 6.053 1.00 0.00 C ATOM 606 O THR A 58 3.724 -10.992 6.636 1.00 0.00 O ATOM 607 CB THR A 58 4.417 -11.711 4.078 1.00 0.00 C ATOM 608 OG1 THR A 58 5.225 -12.278 3.063 1.00 0.00 O ATOM 609 CG2 THR A 58 3.086 -11.348 3.464 1.00 0.00 C ATOM 0 H THR A 58 7.174 -10.163 4.486 1.00 0.00 H new ATOM 0 HA THR A 58 5.052 -9.655 4.083 1.00 0.00 H new ATOM 0 HB THR A 58 4.243 -12.426 4.882 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.755 -13.036 2.656 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.640 -12.234 3.013 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.422 -10.961 4.237 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.234 -10.586 2.698 1.00 0.00 H new ATOM 617 N GLU A 59 4.668 -8.952 6.532 1.00 0.00 N ATOM 618 CA GLU A 59 4.072 -8.492 7.773 1.00 0.00 C ATOM 619 C GLU A 59 3.471 -7.096 7.614 1.00 0.00 C ATOM 620 O GLU A 59 3.223 -6.402 8.599 1.00 0.00 O ATOM 621 CB GLU A 59 5.120 -8.484 8.896 1.00 0.00 C ATOM 622 CG GLU A 59 5.683 -9.861 9.202 1.00 0.00 C ATOM 623 CD GLU A 59 5.026 -10.498 10.410 1.00 0.00 C ATOM 624 OE1 GLU A 59 5.297 -10.046 11.542 1.00 0.00 O ATOM 625 OE2 GLU A 59 4.240 -11.451 10.232 1.00 0.00 O ATOM 0 H GLU A 59 5.264 -8.263 6.073 1.00 0.00 H new ATOM 0 HA GLU A 59 3.270 -9.182 8.034 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.937 -7.819 8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.670 -8.074 9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.547 -10.507 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.756 -9.782 9.375 1.00 0.00 H new ATOM 632 N ALA A 60 3.237 -6.691 6.367 1.00 0.00 N ATOM 633 CA ALA A 60 2.665 -5.381 6.083 1.00 0.00 C ATOM 634 C ALA A 60 1.290 -5.502 5.431 1.00 0.00 C ATOM 635 O ALA A 60 0.492 -4.566 5.463 1.00 0.00 O ATOM 636 CB ALA A 60 3.602 -4.579 5.194 1.00 0.00 C ATOM 0 H ALA A 60 3.435 -7.253 5.539 1.00 0.00 H new ATOM 0 HA ALA A 60 2.540 -4.858 7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.163 -3.603 4.990 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.559 -4.448 5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.757 -5.111 4.255 1.00 0.00 H new ATOM 642 N TRP A 61 1.021 -6.661 4.838 1.00 0.00 N ATOM 643 CA TRP A 61 -0.254 -6.906 4.177 1.00 0.00 C ATOM 644 C TRP A 61 -1.418 -6.727 5.156 1.00 0.00 C ATOM 645 O TRP A 61 -1.540 -7.462 6.136 1.00 0.00 O ATOM 646 CB TRP A 61 -0.277 -8.317 3.583 1.00 0.00 C ATOM 647 CG TRP A 61 -1.580 -8.673 2.940 1.00 0.00 C ATOM 648 CD1 TRP A 61 -2.495 -7.809 2.403 1.00 0.00 C ATOM 649 CD2 TRP A 61 -2.113 -9.988 2.752 1.00 0.00 C ATOM 650 NE1 TRP A 61 -3.564 -8.508 1.895 1.00 0.00 N ATOM 651 CE2 TRP A 61 -3.353 -9.847 2.100 1.00 0.00 C ATOM 652 CE3 TRP A 61 -1.662 -11.272 3.062 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -4.146 -10.941 1.754 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -2.449 -12.358 2.725 1.00 0.00 C ATOM 655 CH2 TRP A 61 -3.679 -12.186 2.078 1.00 0.00 C ATOM 0 H TRP A 61 1.671 -7.446 4.802 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.368 -6.180 3.372 1.00 0.00 H new ATOM 0 HB2 TRP A 61 0.520 -8.405 2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -0.061 -9.038 4.371 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.392 -6.734 2.381 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.380 -8.098 1.440 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -0.713 -11.415 3.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -5.092 -10.811 1.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -2.110 -13.355 2.965 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.272 -13.054 1.829 1.00 0.00 H new ATOM 666 N LYS A 62 -2.269 -5.745 4.876 1.00 0.00 N ATOM 667 CA LYS A 62 -3.423 -5.469 5.714 1.00 0.00 C ATOM 668 C LYS A 62 -4.688 -5.326 4.875 1.00 0.00 C ATOM 669 O LYS A 62 -4.634 -4.904 3.721 1.00 0.00 O ATOM 670 CB LYS A 62 -3.190 -4.197 6.540 1.00 0.00 C ATOM 671 CG LYS A 62 -4.317 -3.883 7.512 1.00 0.00 C ATOM 672 CD LYS A 62 -5.203 -2.762 6.996 1.00 0.00 C ATOM 673 CE LYS A 62 -6.150 -2.258 8.066 1.00 0.00 C ATOM 674 NZ LYS A 62 -5.587 -1.089 8.804 1.00 0.00 N ATOM 0 H LYS A 62 -2.177 -5.126 4.070 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.557 -6.312 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.260 -4.302 7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.061 -3.353 5.862 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.918 -4.778 7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.898 -3.601 8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.581 -1.939 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.777 -3.117 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.098 -1.975 7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.364 -3.063 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.325 -0.670 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.793 -1.403 9.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.250 -0.378 8.123 1.00 0.00 H new ATOM 688 N VAL A 63 -5.827 -5.680 5.468 1.00 0.00 N ATOM 689 CA VAL A 63 -7.102 -5.588 4.768 1.00 0.00 C ATOM 690 C VAL A 63 -7.980 -4.492 5.355 1.00 0.00 C ATOM 691 O VAL A 63 -8.000 -4.290 6.569 1.00 0.00 O ATOM 692 CB VAL A 63 -7.864 -6.928 4.808 1.00 0.00 C ATOM 693 CG1 VAL A 63 -8.206 -7.310 6.233 1.00 0.00 C ATOM 694 CG2 VAL A 63 -9.119 -6.855 3.952 1.00 0.00 C ATOM 0 H VAL A 63 -5.891 -6.030 6.424 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.874 -5.341 3.731 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.215 -7.702 4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.743 -8.258 6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.289 -7.410 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.833 -6.536 6.677 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.643 -7.810 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.771 -6.067 4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.844 -6.636 2.920 1.00 0.00 H new ATOM 704 N LEU A 64 -8.701 -3.785 4.491 1.00 0.00 N ATOM 705 CA LEU A 64 -9.581 -2.708 4.931 1.00 0.00 C ATOM 706 C LEU A 64 -10.987 -3.231 5.216 1.00 0.00 C ATOM 707 O LEU A 64 -11.570 -3.938 4.386 1.00 0.00 O ATOM 708 CB LEU A 64 -9.636 -1.604 3.875 1.00 0.00 C ATOM 709 CG LEU A 64 -8.392 -0.718 3.798 1.00 0.00 C ATOM 710 CD1 LEU A 64 -8.134 -0.044 5.138 1.00 0.00 C ATOM 711 CD2 LEU A 64 -7.182 -1.535 3.369 1.00 0.00 C ATOM 0 H LEU A 64 -8.693 -3.938 3.483 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.175 -2.297 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.797 -2.063 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.501 -0.972 4.077 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.566 0.057 3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.245 0.583 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.992 0.573 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.980 -0.804 5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.306 -0.889 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.005 -2.331 4.092 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.367 -1.971 2.387 1.00 0.00 H new ATOM 723 N SER A 65 -11.525 -2.878 6.370 1.00 0.00 N ATOM 724 CA SER A 65 -12.864 -3.311 6.764 1.00 0.00 C ATOM 725 C SER A 65 -13.735 -2.114 7.131 1.00 0.00 C ATOM 726 O SER A 65 -13.249 -1.140 7.705 1.00 0.00 O ATOM 727 CB SER A 65 -12.788 -4.289 7.929 1.00 0.00 C ATOM 728 OG SER A 65 -11.809 -5.288 7.699 1.00 0.00 O ATOM 0 H SER A 65 -11.056 -2.289 7.058 1.00 0.00 H new ATOM 0 HA SER A 65 -13.320 -3.818 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.551 -3.749 8.846 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.761 -4.757 8.078 1.00 0.00 H new ATOM 0 HG SER A 65 -11.781 -5.901 8.463 1.00 0.00 H new ATOM 734 N PRO A 66 -15.039 -2.170 6.816 1.00 0.00 N ATOM 735 CA PRO A 66 -15.974 -1.083 7.124 1.00 0.00 C ATOM 736 C PRO A 66 -16.321 -1.012 8.608 1.00 0.00 C ATOM 737 O PRO A 66 -16.919 -0.038 9.068 1.00 0.00 O ATOM 738 CB PRO A 66 -17.211 -1.443 6.294 1.00 0.00 C ATOM 739 CG PRO A 66 -17.164 -2.927 6.175 1.00 0.00 C ATOM 740 CD PRO A 66 -15.705 -3.295 6.121 1.00 0.00 C ATOM 0 HA PRO A 66 -15.556 -0.104 6.891 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.127 -1.113 6.784 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.184 -0.966 5.314 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.655 -3.402 7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.684 -3.263 5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.512 -4.245 6.619 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.354 -3.396 5.094 1.00 0.00 H new ATOM 748 N GLN A 67 -15.946 -2.046 9.346 1.00 0.00 N ATOM 749 CA GLN A 67 -16.222 -2.096 10.777 1.00 0.00 C ATOM 750 C GLN A 67 -14.980 -2.514 11.558 1.00 0.00 C ATOM 751 O GLN A 67 -15.058 -3.327 12.488 1.00 0.00 O ATOM 752 CB GLN A 67 -17.370 -3.067 11.068 1.00 0.00 C ATOM 753 CG GLN A 67 -17.999 -2.882 12.440 1.00 0.00 C ATOM 754 CD GLN A 67 -18.905 -4.034 12.817 1.00 0.00 C ATOM 755 OE1 GLN A 67 -19.286 -4.848 11.975 1.00 0.00 O ATOM 756 NE2 GLN A 67 -19.256 -4.110 14.104 1.00 0.00 N ATOM 0 H GLN A 67 -15.451 -2.860 8.981 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.513 -1.095 11.097 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -18.140 -2.943 10.306 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.999 -4.089 10.984 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.212 -2.782 13.187 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.571 -1.954 12.453 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -18.917 -3.413 14.767 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -19.863 -4.865 14.423 1.00 0.00 H new ATOM 765 N GLY A 68 -13.835 -1.952 11.185 1.00 0.00 N ATOM 766 CA GLY A 68 -12.593 -2.279 11.862 1.00 0.00 C ATOM 767 C GLY A 68 -11.385 -2.157 10.955 1.00 0.00 C ATOM 768 O GLY A 68 -11.518 -1.848 9.771 1.00 0.00 O ATOM 0 H GLY A 68 -13.745 -1.276 10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.467 -1.619 12.720 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.651 -3.297 12.249 1.00 0.00 H new ATOM 772 N GLY A 69 -10.204 -2.402 11.511 1.00 0.00 N ATOM 773 CA GLY A 69 -8.983 -2.313 10.731 1.00 0.00 C ATOM 774 C GLY A 69 -8.007 -3.427 11.053 1.00 0.00 C ATOM 775 O GLY A 69 -8.408 -4.572 11.265 1.00 0.00 O ATOM 0 H GLY A 69 -10.070 -2.661 12.488 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.230 -2.346 9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.506 -1.351 10.917 1.00 0.00 H new ATOM 779 N GLY A 70 -6.721 -3.093 11.091 1.00 0.00 N ATOM 780 CA GLY A 70 -5.706 -4.087 11.391 1.00 0.00 C ATOM 781 C GLY A 70 -4.471 -3.480 12.040 1.00 0.00 C ATOM 782 O GLY A 70 -4.342 -2.257 12.099 1.00 0.00 O ATOM 0 H GLY A 70 -6.364 -2.153 10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.127 -4.843 12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.417 -4.595 10.471 1.00 0.00 H new ATOM 786 N PRO A 71 -3.538 -4.316 12.519 1.00 0.00 N ATOM 787 CA PRO A 71 -2.307 -3.842 13.159 1.00 0.00 C ATOM 788 C PRO A 71 -1.545 -2.851 12.285 1.00 0.00 C ATOM 789 O PRO A 71 -0.922 -1.916 12.796 1.00 0.00 O ATOM 790 CB PRO A 71 -1.489 -5.121 13.364 1.00 0.00 C ATOM 791 CG PRO A 71 -2.501 -6.212 13.412 1.00 0.00 C ATOM 792 CD PRO A 71 -3.610 -5.789 12.483 1.00 0.00 C ATOM 0 HA PRO A 71 -2.512 -3.304 14.085 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.781 -5.273 12.550 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.910 -5.077 14.286 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.068 -7.161 13.096 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.874 -6.354 14.426 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.459 -6.175 11.475 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.580 -6.153 12.822 1.00 0.00 H new ATOM 800 N TRP A 72 -1.599 -3.062 10.975 1.00 0.00 N ATOM 801 CA TRP A 72 -0.914 -2.187 10.030 1.00 0.00 C ATOM 802 C TRP A 72 -1.419 -0.751 10.145 1.00 0.00 C ATOM 803 O TRP A 72 -0.741 0.189 9.733 1.00 0.00 O ATOM 804 CB TRP A 72 -1.108 -2.693 8.608 1.00 0.00 C ATOM 805 CG TRP A 72 -0.328 -1.917 7.592 1.00 0.00 C ATOM 806 CD1 TRP A 72 0.992 -2.069 7.280 1.00 0.00 C ATOM 807 CD2 TRP A 72 -0.821 -0.864 6.747 1.00 0.00 C ATOM 808 NE1 TRP A 72 1.350 -1.175 6.291 1.00 0.00 N ATOM 809 CE2 TRP A 72 0.255 -0.424 5.953 1.00 0.00 C ATOM 810 CE3 TRP A 72 -2.068 -0.251 6.591 1.00 0.00 C ATOM 811 CZ2 TRP A 72 0.122 0.599 5.017 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -2.199 0.765 5.663 1.00 0.00 C ATOM 813 CH2 TRP A 72 -1.110 1.181 4.886 1.00 0.00 C ATOM 0 H TRP A 72 -2.110 -3.832 10.543 1.00 0.00 H new ATOM 0 HA TRP A 72 0.149 -2.197 10.272 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.813 -3.741 8.559 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.167 -2.648 8.355 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.659 -2.784 7.739 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.279 -1.088 5.879 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.913 -0.566 7.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 0.960 0.921 4.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.157 1.246 5.535 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -1.245 1.977 4.169 1.00 0.00 H new ATOM 824 N ASP A 73 -2.614 -0.586 10.710 1.00 0.00 N ATOM 825 CA ASP A 73 -3.207 0.737 10.878 1.00 0.00 C ATOM 826 C ASP A 73 -2.248 1.681 11.608 1.00 0.00 C ATOM 827 O ASP A 73 -2.271 2.892 11.381 1.00 0.00 O ATOM 828 CB ASP A 73 -4.520 0.631 11.658 1.00 0.00 C ATOM 829 CG ASP A 73 -5.204 1.974 11.836 1.00 0.00 C ATOM 830 OD1 ASP A 73 -4.691 2.808 12.603 1.00 0.00 O ATOM 831 OD2 ASP A 73 -6.254 2.190 11.186 1.00 0.00 O ATOM 0 H ASP A 73 -3.189 -1.353 11.059 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.406 1.145 9.887 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.194 -0.049 11.137 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.322 0.196 12.638 1.00 0.00 H new ATOM 836 N SER A 74 -1.408 1.117 12.462 1.00 0.00 N ATOM 837 CA SER A 74 -0.441 1.908 13.214 1.00 0.00 C ATOM 838 C SER A 74 0.797 2.211 12.374 1.00 0.00 C ATOM 839 O SER A 74 1.546 3.141 12.669 1.00 0.00 O ATOM 840 CB SER A 74 -0.036 1.174 14.493 1.00 0.00 C ATOM 841 OG SER A 74 0.094 2.074 15.588 1.00 0.00 O ATOM 0 H SER A 74 -1.375 0.116 12.653 1.00 0.00 H new ATOM 0 HA SER A 74 -0.915 2.854 13.478 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.781 0.415 14.730 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.909 0.654 14.333 1.00 0.00 H new ATOM 0 HG SER A 74 0.352 1.576 16.392 1.00 0.00 H new ATOM 847 N VAL A 75 1.007 1.420 11.326 1.00 0.00 N ATOM 848 CA VAL A 75 2.153 1.606 10.445 1.00 0.00 C ATOM 849 C VAL A 75 1.871 2.673 9.400 1.00 0.00 C ATOM 850 O VAL A 75 2.748 3.463 9.045 1.00 0.00 O ATOM 851 CB VAL A 75 2.537 0.294 9.738 1.00 0.00 C ATOM 852 CG1 VAL A 75 3.847 0.456 8.982 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.630 -0.847 10.742 1.00 0.00 C ATOM 0 H VAL A 75 0.398 0.644 11.067 1.00 0.00 H new ATOM 0 HA VAL A 75 2.986 1.927 11.071 1.00 0.00 H new ATOM 0 HB VAL A 75 1.757 0.051 9.017 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.101 -0.482 8.489 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.741 1.242 8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.639 0.725 9.681 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.902 -1.766 10.224 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.388 -0.613 11.489 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.666 -0.979 11.233 1.00 0.00 H new ATOM 863 N ALA A 76 0.641 2.689 8.896 1.00 0.00 N ATOM 864 CA ALA A 76 0.244 3.658 7.874 1.00 0.00 C ATOM 865 C ALA A 76 -1.274 3.720 7.739 1.00 0.00 C ATOM 866 O ALA A 76 -1.952 2.693 7.761 1.00 0.00 O ATOM 867 CB ALA A 76 0.885 3.314 6.537 1.00 0.00 C ATOM 0 H ALA A 76 -0.098 2.045 9.176 1.00 0.00 H new ATOM 0 HA ALA A 76 0.595 4.642 8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.579 4.045 5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.970 3.331 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.565 2.320 6.225 1.00 0.00 H new ATOM 873 N ARG A 77 -1.800 4.932 7.599 1.00 0.00 N ATOM 874 CA ARG A 77 -3.238 5.129 7.459 1.00 0.00 C ATOM 875 C ARG A 77 -3.592 5.583 6.047 1.00 0.00 C ATOM 876 O ARG A 77 -2.736 6.073 5.309 1.00 0.00 O ATOM 877 CB ARG A 77 -3.734 6.155 8.481 1.00 0.00 C ATOM 878 CG ARG A 77 -4.973 5.708 9.235 1.00 0.00 C ATOM 879 CD ARG A 77 -4.618 4.745 10.349 1.00 0.00 C ATOM 880 NE ARG A 77 -5.081 5.213 11.653 1.00 0.00 N ATOM 881 CZ ARG A 77 -6.364 5.308 11.994 1.00 0.00 C ATOM 882 NH1 ARG A 77 -7.315 4.970 11.140 1.00 0.00 N ATOM 883 NH2 ARG A 77 -6.699 5.741 13.202 1.00 0.00 N ATOM 0 H ARG A 77 -1.252 5.792 7.579 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.731 4.175 7.645 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.937 6.358 9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.949 7.092 7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.482 6.577 9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.669 5.230 8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.058 3.770 10.138 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.537 4.608 10.377 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.380 5.483 12.343 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.069 4.633 10.210 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.295 5.047 11.412 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.973 6.001 13.870 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.682 5.814 13.463 1.00 0.00 H new ATOM 897 N VAL A 78 -4.856 5.418 5.677 1.00 0.00 N ATOM 898 CA VAL A 78 -5.323 5.810 4.353 1.00 0.00 C ATOM 899 C VAL A 78 -5.955 7.198 4.383 1.00 0.00 C ATOM 900 O VAL A 78 -6.947 7.424 5.084 1.00 0.00 O ATOM 901 CB VAL A 78 -6.350 4.803 3.804 1.00 0.00 C ATOM 902 CG1 VAL A 78 -6.708 5.145 2.357 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.816 3.383 3.897 1.00 0.00 C ATOM 0 H VAL A 78 -5.577 5.015 6.276 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.451 5.825 3.699 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.252 4.868 4.412 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.435 4.425 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.135 6.147 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.809 5.108 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.558 2.689 3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.898 3.301 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.608 3.140 4.939 1.00 0.00 H new ATOM 913 N LEU A 79 -5.373 8.123 3.627 1.00 0.00 N ATOM 914 CA LEU A 79 -5.878 9.489 3.567 1.00 0.00 C ATOM 915 C LEU A 79 -7.249 9.532 2.894 1.00 0.00 C ATOM 916 O LEU A 79 -7.536 8.735 2.001 1.00 0.00 O ATOM 917 CB LEU A 79 -4.893 10.385 2.820 1.00 0.00 C ATOM 918 CG LEU A 79 -3.979 11.232 3.702 1.00 0.00 C ATOM 919 CD1 LEU A 79 -2.566 11.263 3.142 1.00 0.00 C ATOM 920 CD2 LEU A 79 -4.530 12.644 3.848 1.00 0.00 C ATOM 0 H LEU A 79 -4.551 7.951 3.048 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.986 9.859 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.273 9.759 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.457 11.050 2.166 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.943 10.775 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.932 11.872 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.170 10.249 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.581 11.691 2.139 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.864 13.231 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.602 13.110 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.520 12.603 4.303 1.00 0.00 H new ATOM 932 N PRO A 80 -8.115 10.471 3.317 1.00 0.00 N ATOM 933 CA PRO A 80 -9.463 10.621 2.758 1.00 0.00 C ATOM 934 C PRO A 80 -9.455 10.766 1.239 1.00 0.00 C ATOM 935 O PRO A 80 -10.458 10.500 0.584 1.00 0.00 O ATOM 936 CB PRO A 80 -10.000 11.902 3.417 1.00 0.00 C ATOM 937 CG PRO A 80 -8.810 12.564 4.031 1.00 0.00 C ATOM 938 CD PRO A 80 -7.853 11.461 4.371 1.00 0.00 C ATOM 0 HA PRO A 80 -10.075 9.741 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.475 12.552 2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.752 11.670 4.171 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.357 13.273 3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.092 13.125 4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.818 11.804 4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.040 11.054 5.365 1.00 0.00 H new ATOM 946 N ASN A 81 -8.320 11.190 0.690 1.00 0.00 N ATOM 947 CA ASN A 81 -8.191 11.366 -0.744 1.00 0.00 C ATOM 948 C ASN A 81 -7.718 10.081 -1.415 1.00 0.00 C ATOM 949 O ASN A 81 -7.319 10.097 -2.588 1.00 0.00 O ATOM 950 CB ASN A 81 -7.221 12.508 -1.056 1.00 0.00 C ATOM 951 CG ASN A 81 -5.910 12.376 -0.304 1.00 0.00 C ATOM 952 OD1 ASN A 81 -5.794 12.810 0.834 1.00 0.00 O ATOM 953 ND2 ASN A 81 -4.916 11.777 -0.939 1.00 0.00 N ATOM 0 H ASN A 81 -7.479 11.417 1.221 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.175 11.617 -1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.021 12.529 -2.127 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.689 13.459 -0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.012 11.663 -0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.053 11.429 -1.888 1.00 0.00 H new ATOM 960 N GLY A 82 -7.762 8.969 -0.685 1.00 0.00 N ATOM 961 CA GLY A 82 -7.335 7.699 -1.243 1.00 0.00 C ATOM 962 C GLY A 82 -5.828 7.607 -1.388 1.00 0.00 C ATOM 963 O GLY A 82 -5.317 7.214 -2.429 1.00 0.00 O ATOM 0 H GLY A 82 -8.085 8.926 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.686 6.889 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.800 7.560 -2.219 1.00 0.00 H new ATOM 967 N SER A 83 -5.115 7.970 -0.328 1.00 0.00 N ATOM 968 CA SER A 83 -3.657 7.925 -0.340 1.00 0.00 C ATOM 969 C SER A 83 -3.118 7.209 0.886 1.00 0.00 C ATOM 970 O SER A 83 -3.876 6.832 1.788 1.00 0.00 O ATOM 971 CB SER A 83 -3.083 9.342 -0.407 1.00 0.00 C ATOM 972 OG SER A 83 -1.688 9.314 -0.664 1.00 0.00 O ATOM 0 H SER A 83 -5.521 8.298 0.548 1.00 0.00 H new ATOM 0 HA SER A 83 -3.348 7.369 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.589 9.907 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.273 9.860 0.533 1.00 0.00 H new ATOM 0 HG SER A 83 -1.353 10.231 -0.751 1.00 0.00 H new ATOM 978 N LEU A 84 -1.803 7.024 0.925 1.00 0.00 N ATOM 979 CA LEU A 84 -1.154 6.351 2.052 1.00 0.00 C ATOM 980 C LEU A 84 -0.106 7.254 2.685 1.00 0.00 C ATOM 981 O LEU A 84 0.615 7.968 1.991 1.00 0.00 O ATOM 982 CB LEU A 84 -0.499 5.050 1.580 1.00 0.00 C ATOM 983 CG LEU A 84 -0.725 3.843 2.496 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.615 2.813 1.809 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.605 3.220 2.887 1.00 0.00 C ATOM 0 H LEU A 84 -1.163 7.329 0.192 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.914 6.121 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.878 4.809 0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.574 5.216 1.480 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.227 4.184 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.766 1.962 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.579 3.264 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.138 2.475 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.428 2.364 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.131 2.892 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.211 3.957 3.414 1.00 0.00 H new ATOM 997 N PHE A 85 -0.025 7.216 4.011 1.00 0.00 N ATOM 998 CA PHE A 85 0.939 8.031 4.752 1.00 0.00 C ATOM 999 C PHE A 85 1.615 7.205 5.837 1.00 0.00 C ATOM 1000 O PHE A 85 0.947 6.652 6.720 1.00 0.00 O ATOM 1001 CB PHE A 85 0.241 9.257 5.350 1.00 0.00 C ATOM 1002 CG PHE A 85 1.075 10.013 6.349 1.00 0.00 C ATOM 1003 CD1 PHE A 85 1.268 9.516 7.630 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.662 11.221 6.009 1.00 0.00 C ATOM 1005 CE1 PHE A 85 2.031 10.210 8.549 1.00 0.00 C ATOM 1006 CE2 PHE A 85 2.426 11.920 6.925 1.00 0.00 C ATOM 1007 CZ PHE A 85 2.611 11.413 8.197 1.00 0.00 C ATOM 0 H PHE A 85 -0.616 6.628 4.599 1.00 0.00 H new ATOM 0 HA PHE A 85 1.711 8.376 4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.039 9.932 4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.683 8.937 5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.817 8.576 7.912 1.00 0.00 H new ATOM 0 HD2 PHE A 85 1.521 11.622 5.016 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.174 9.812 9.543 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.878 12.861 6.647 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.208 11.956 8.915 1.00 0.00 H new ATOM 1017 N LEU A 86 2.942 7.124 5.788 1.00 0.00 N ATOM 1018 CA LEU A 86 3.703 6.364 6.766 1.00 0.00 C ATOM 1019 C LEU A 86 4.544 7.295 7.643 1.00 0.00 C ATOM 1020 O LEU A 86 5.318 8.103 7.131 1.00 0.00 O ATOM 1021 CB LEU A 86 4.608 5.346 6.067 1.00 0.00 C ATOM 1022 CG LEU A 86 4.129 3.894 6.146 1.00 0.00 C ATOM 1023 CD1 LEU A 86 3.513 3.460 4.826 1.00 0.00 C ATOM 1024 CD2 LEU A 86 5.278 2.972 6.536 1.00 0.00 C ATOM 0 H LEU A 86 3.512 7.580 5.075 1.00 0.00 H new ATOM 0 HA LEU A 86 2.997 5.831 7.403 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.701 5.626 5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.605 5.408 6.503 1.00 0.00 H new ATOM 0 HG LEU A 86 3.361 3.827 6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.179 2.425 4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.662 4.100 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.256 3.543 4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.919 1.944 6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.070 3.043 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.668 3.269 7.510 1.00 0.00 H new ATOM 1036 N PRO A 87 4.406 7.195 8.979 1.00 0.00 N ATOM 1037 CA PRO A 87 5.164 8.035 9.920 1.00 0.00 C ATOM 1038 C PRO A 87 6.670 7.901 9.713 1.00 0.00 C ATOM 1039 O PRO A 87 7.367 8.887 9.473 1.00 0.00 O ATOM 1040 CB PRO A 87 4.761 7.506 11.300 1.00 0.00 C ATOM 1041 CG PRO A 87 3.456 6.822 11.077 1.00 0.00 C ATOM 1042 CD PRO A 87 3.509 6.261 9.692 1.00 0.00 C ATOM 0 HA PRO A 87 4.944 9.094 9.787 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.508 6.816 11.693 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.665 8.317 12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.301 6.032 11.811 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.627 7.522 11.182 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.900 5.244 9.685 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.520 6.225 9.235 1.00 0.00 H new ATOM 1050 N ALA A 88 7.165 6.671 9.814 1.00 0.00 N ATOM 1051 CA ALA A 88 8.587 6.402 9.645 1.00 0.00 C ATOM 1052 C ALA A 88 8.812 5.098 8.887 1.00 0.00 C ATOM 1053 O ALA A 88 8.720 4.013 9.459 1.00 0.00 O ATOM 1054 CB ALA A 88 9.280 6.354 10.998 1.00 0.00 C ATOM 0 H ALA A 88 6.601 5.845 10.012 1.00 0.00 H new ATOM 0 HA ALA A 88 9.018 7.213 9.058 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.342 6.152 10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.157 7.312 11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.839 5.564 11.605 1.00 0.00 H new ATOM 1060 N VAL A 89 9.106 5.214 7.604 1.00 0.00 N ATOM 1061 CA VAL A 89 9.342 4.043 6.759 1.00 0.00 C ATOM 1062 C VAL A 89 10.753 3.501 6.965 1.00 0.00 C ATOM 1063 O VAL A 89 11.735 4.162 6.630 1.00 0.00 O ATOM 1064 CB VAL A 89 9.141 4.368 5.276 1.00 0.00 C ATOM 1065 CG1 VAL A 89 9.223 3.103 4.427 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.811 5.075 5.053 1.00 0.00 C ATOM 0 H VAL A 89 9.189 6.107 7.118 1.00 0.00 H new ATOM 0 HA VAL A 89 8.614 3.287 7.053 1.00 0.00 H new ATOM 0 HB VAL A 89 9.942 5.039 4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.077 3.359 3.378 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.202 2.642 4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.448 2.403 4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.690 5.296 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.997 4.431 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.793 6.005 5.622 1.00 0.00 H new ATOM 1076 N GLY A 90 10.844 2.296 7.517 1.00 0.00 N ATOM 1077 CA GLY A 90 12.140 1.687 7.759 1.00 0.00 C ATOM 1078 C GLY A 90 12.348 0.423 6.949 1.00 0.00 C ATOM 1079 O GLY A 90 11.604 0.150 6.007 1.00 0.00 O ATOM 0 H GLY A 90 10.044 1.730 7.801 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.925 2.403 7.517 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.236 1.455 8.820 1.00 0.00 H new ATOM 1083 N ILE A 91 13.364 -0.352 7.324 1.00 0.00 N ATOM 1084 CA ILE A 91 13.673 -1.595 6.619 1.00 0.00 C ATOM 1085 C ILE A 91 12.484 -2.550 6.642 1.00 0.00 C ATOM 1086 O ILE A 91 12.203 -3.232 5.657 1.00 0.00 O ATOM 1087 CB ILE A 91 14.894 -2.300 7.239 1.00 0.00 C ATOM 1088 CG1 ILE A 91 14.687 -2.499 8.742 1.00 0.00 C ATOM 1089 CG2 ILE A 91 16.159 -1.497 6.974 1.00 0.00 C ATOM 1090 CD1 ILE A 91 14.194 -3.882 9.106 1.00 0.00 C ATOM 0 H ILE A 91 13.984 -0.143 8.107 1.00 0.00 H new ATOM 0 HA ILE A 91 13.900 -1.327 5.587 1.00 0.00 H new ATOM 0 HB ILE A 91 15.005 -3.280 6.774 1.00 0.00 H new ATOM 0 HG12 ILE A 91 15.628 -2.310 9.258 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.971 -1.760 9.103 1.00 0.00 H new ATOM 0 HG21 ILE A 91 17.014 -2.007 7.418 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.311 -1.402 5.899 1.00 0.00 H new ATOM 0 HG23 ILE A 91 16.059 -0.505 7.415 1.00 0.00 H new ATOM 0 HD11 ILE A 91 14.070 -3.951 10.187 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.237 -4.067 8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.920 -4.625 8.776 1.00 0.00 H new ATOM 1102 N GLN A 92 11.790 -2.594 7.775 1.00 0.00 N ATOM 1103 CA GLN A 92 10.631 -3.467 7.936 1.00 0.00 C ATOM 1104 C GLN A 92 9.542 -3.113 6.928 1.00 0.00 C ATOM 1105 O GLN A 92 8.728 -3.960 6.550 1.00 0.00 O ATOM 1106 CB GLN A 92 10.077 -3.366 9.350 1.00 0.00 C ATOM 1107 CG GLN A 92 10.796 -4.260 10.356 1.00 0.00 C ATOM 1108 CD GLN A 92 10.616 -3.796 11.788 1.00 0.00 C ATOM 1109 OE1 GLN A 92 10.033 -2.742 12.035 1.00 0.00 O ATOM 1110 NE2 GLN A 92 11.117 -4.584 12.725 1.00 0.00 N ATOM 0 H GLN A 92 12.011 -2.033 8.598 1.00 0.00 H new ATOM 0 HA GLN A 92 10.956 -4.492 7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.145 -2.331 9.684 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.019 -3.628 9.336 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.424 -5.280 10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.859 -4.285 10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.592 -5.448 12.464 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.029 -4.327 13.708 1.00 0.00 H new ATOM 1119 N ASP A 93 9.527 -1.858 6.481 1.00 0.00 N ATOM 1120 CA ASP A 93 8.534 -1.396 5.519 1.00 0.00 C ATOM 1121 C ASP A 93 8.946 -1.735 4.087 1.00 0.00 C ATOM 1122 O ASP A 93 8.115 -1.734 3.188 1.00 0.00 O ATOM 1123 CB ASP A 93 8.324 0.112 5.655 1.00 0.00 C ATOM 1124 CG ASP A 93 6.886 0.518 5.398 1.00 0.00 C ATOM 1125 OD1 ASP A 93 6.026 0.226 6.254 1.00 0.00 O ATOM 1126 OD2 ASP A 93 6.620 1.127 4.348 1.00 0.00 O ATOM 0 H ASP A 93 10.194 -1.143 6.772 1.00 0.00 H new ATOM 0 HA ASP A 93 7.598 -1.911 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.615 0.428 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.977 0.632 4.954 1.00 0.00 H new ATOM 1131 N GLU A 94 10.231 -2.022 3.887 1.00 0.00 N ATOM 1132 CA GLU A 94 10.742 -2.360 2.562 1.00 0.00 C ATOM 1133 C GLU A 94 9.900 -3.451 1.906 1.00 0.00 C ATOM 1134 O GLU A 94 8.957 -3.967 2.506 1.00 0.00 O ATOM 1135 CB GLU A 94 12.199 -2.814 2.660 1.00 0.00 C ATOM 1136 CG GLU A 94 13.163 -1.699 3.021 1.00 0.00 C ATOM 1137 CD GLU A 94 14.579 -2.199 3.236 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.825 -2.883 4.243 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.442 -1.908 2.374 1.00 0.00 O ATOM 0 H GLU A 94 10.935 -2.027 4.625 1.00 0.00 H new ATOM 0 HA GLU A 94 10.684 -1.466 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.275 -3.604 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.500 -3.248 1.706 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.162 -0.952 2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.815 -1.202 3.927 1.00 0.00 H new ATOM 1146 N GLY A 95 10.247 -3.795 0.671 1.00 0.00 N ATOM 1147 CA GLY A 95 9.514 -4.820 -0.040 1.00 0.00 C ATOM 1148 C GLY A 95 8.735 -4.257 -1.212 1.00 0.00 C ATOM 1149 O GLY A 95 9.067 -3.192 -1.725 1.00 0.00 O ATOM 0 H GLY A 95 11.022 -3.382 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.209 -5.579 -0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.827 -5.316 0.646 1.00 0.00 H new ATOM 1153 N ILE A 96 7.697 -4.974 -1.622 1.00 0.00 N ATOM 1154 CA ILE A 96 6.870 -4.538 -2.741 1.00 0.00 C ATOM 1155 C ILE A 96 5.396 -4.491 -2.351 1.00 0.00 C ATOM 1156 O ILE A 96 4.858 -5.451 -1.799 1.00 0.00 O ATOM 1157 CB ILE A 96 7.038 -5.467 -3.968 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.521 -5.644 -4.295 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.283 -4.910 -5.159 1.00 0.00 C ATOM 1160 CD1 ILE A 96 8.864 -7.029 -4.798 1.00 0.00 C ATOM 0 H ILE A 96 7.408 -5.856 -1.199 1.00 0.00 H new ATOM 0 HA ILE A 96 7.205 -3.536 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 96 6.620 -6.445 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.810 -4.910 -5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.110 -5.433 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.411 -5.574 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.224 -4.833 -4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.671 -3.922 -5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 96 9.932 -7.085 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.606 -7.766 -4.038 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.301 -7.235 -5.709 1.00 0.00 H new ATOM 1172 N PHE A 97 4.748 -3.369 -2.646 1.00 0.00 N ATOM 1173 CA PHE A 97 3.335 -3.195 -2.340 1.00 0.00 C ATOM 1174 C PHE A 97 2.488 -3.271 -3.599 1.00 0.00 C ATOM 1175 O PHE A 97 2.983 -3.038 -4.701 1.00 0.00 O ATOM 1176 CB PHE A 97 3.107 -1.857 -1.636 1.00 0.00 C ATOM 1177 CG PHE A 97 3.866 -1.720 -0.339 1.00 0.00 C ATOM 1178 CD1 PHE A 97 5.217 -1.414 -0.352 1.00 0.00 C ATOM 1179 CD2 PHE A 97 3.227 -1.898 0.862 1.00 0.00 C ATOM 1180 CE1 PHE A 97 5.918 -1.288 0.832 1.00 0.00 C ATOM 1181 CE2 PHE A 97 3.923 -1.773 2.050 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.269 -1.468 2.031 1.00 0.00 C ATOM 0 H PHE A 97 5.182 -2.564 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 97 3.032 -4.005 -1.676 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.400 -1.049 -2.306 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.042 -1.737 -1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 97 5.726 -1.273 -1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.174 -2.137 0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.971 -1.049 0.816 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.414 -1.914 2.992 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.813 -1.371 2.959 1.00 0.00 H new ATOM 1192 N ARG A 98 1.211 -3.601 -3.435 1.00 0.00 N ATOM 1193 CA ARG A 98 0.303 -3.709 -4.571 1.00 0.00 C ATOM 1194 C ARG A 98 -1.094 -3.215 -4.206 1.00 0.00 C ATOM 1195 O ARG A 98 -1.481 -3.220 -3.037 1.00 0.00 O ATOM 1196 CB ARG A 98 0.232 -5.158 -5.054 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.482 -5.322 -6.386 1.00 0.00 C ATOM 1198 CD ARG A 98 -0.625 -6.787 -6.765 1.00 0.00 C ATOM 1199 NE ARG A 98 -1.823 -7.387 -6.183 1.00 0.00 N ATOM 1200 CZ ARG A 98 -2.005 -8.700 -6.049 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -1.071 -9.551 -6.453 1.00 0.00 N ATOM 1202 NH2 ARG A 98 -3.124 -9.161 -5.509 1.00 0.00 N ATOM 0 H ARG A 98 0.783 -3.798 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 98 0.690 -3.081 -5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.244 -5.552 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.279 -5.758 -4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.468 -4.862 -6.330 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.072 -4.796 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.664 -6.879 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.255 -7.336 -6.430 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.564 -6.764 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.208 -9.201 -6.869 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.216 -10.555 -6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.845 -8.511 -5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.264 -10.166 -5.406 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.846 -2.789 -5.224 1.00 0.00 N ATOM 1217 CA CYS A 99 -3.201 -2.293 -5.010 1.00 0.00 C ATOM 1218 C CYS A 99 -4.213 -3.160 -5.753 1.00 0.00 C ATOM 1219 O CYS A 99 -3.880 -3.799 -6.751 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.311 -0.837 -5.484 1.00 0.00 C ATOM 1221 SG CYS A 99 -3.623 0.353 -4.131 1.00 0.00 S ATOM 0 H CYS A 99 -1.539 -2.779 -6.197 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.421 -2.338 -3.943 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.389 -0.560 -5.995 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.116 -0.762 -6.215 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.447 -3.181 -5.268 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.504 -3.972 -5.879 1.00 0.00 C ATOM 1228 C GLN A 100 -7.880 -3.432 -5.505 1.00 0.00 C ATOM 1229 O GLN A 100 -8.110 -3.024 -4.366 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.387 -5.438 -5.464 1.00 0.00 C ATOM 1231 CG GLN A 100 -7.367 -6.357 -6.167 1.00 0.00 C ATOM 1232 CD GLN A 100 -6.864 -7.784 -6.261 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -6.949 -8.416 -7.313 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -6.337 -8.299 -5.157 1.00 0.00 N ATOM 0 H GLN A 100 -5.741 -2.654 -4.446 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.389 -3.901 -6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.373 -5.782 -5.666 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.541 -5.514 -4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.317 -6.345 -5.633 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.560 -5.977 -7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.287 -7.738 -4.306 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.982 -9.255 -5.159 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.791 -3.431 -6.473 1.00 0.00 N ATOM 1244 CA ALA A 101 -10.145 -2.941 -6.256 1.00 0.00 C ATOM 1245 C ALA A 101 -11.176 -3.901 -6.833 1.00 0.00 C ATOM 1246 O ALA A 101 -10.857 -4.718 -7.704 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.311 -1.554 -6.851 1.00 0.00 C ATOM 0 H ALA A 101 -8.613 -3.766 -7.420 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.312 -2.878 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.329 -1.204 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.607 -0.869 -6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.116 -1.592 -7.923 1.00 0.00 H new ATOM 1253 N MET A 102 -12.412 -3.799 -6.357 1.00 0.00 N ATOM 1254 CA MET A 102 -13.486 -4.661 -6.844 1.00 0.00 C ATOM 1255 C MET A 102 -14.692 -3.839 -7.288 1.00 0.00 C ATOM 1256 O MET A 102 -15.355 -3.200 -6.472 1.00 0.00 O ATOM 1257 CB MET A 102 -13.904 -5.646 -5.742 1.00 0.00 C ATOM 1258 CG MET A 102 -14.837 -6.741 -6.244 1.00 0.00 C ATOM 1259 SD MET A 102 -14.219 -8.399 -5.883 1.00 0.00 S ATOM 1260 CE MET A 102 -14.082 -8.336 -4.099 1.00 0.00 C ATOM 0 H MET A 102 -12.695 -3.133 -5.639 1.00 0.00 H new ATOM 0 HA MET A 102 -13.114 -5.215 -7.706 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.012 -6.104 -5.315 1.00 0.00 H new ATOM 0 HB3 MET A 102 -14.396 -5.097 -4.939 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.818 -6.615 -5.786 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.971 -6.634 -7.320 1.00 0.00 H new ATOM 0 HE1 MET A 102 -13.884 -9.336 -3.714 1.00 0.00 H new ATOM 0 HE2 MET A 102 -13.264 -7.671 -3.820 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.014 -7.962 -3.675 1.00 0.00 H new ATOM 1270 N ASN A 103 -14.970 -3.860 -8.588 1.00 0.00 N ATOM 1271 CA ASN A 103 -16.097 -3.119 -9.133 1.00 0.00 C ATOM 1272 C ASN A 103 -17.335 -4.007 -9.230 1.00 0.00 C ATOM 1273 O ASN A 103 -17.322 -5.155 -8.789 1.00 0.00 O ATOM 1274 CB ASN A 103 -15.742 -2.563 -10.513 1.00 0.00 C ATOM 1275 CG ASN A 103 -16.349 -1.194 -10.757 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -17.205 -0.738 -10.001 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -15.905 -0.532 -11.819 1.00 0.00 N ATOM 0 H ASN A 103 -14.431 -4.381 -9.280 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.320 -2.291 -8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -14.658 -2.499 -10.609 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -16.090 -3.254 -11.281 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -16.275 0.394 -12.035 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -15.193 -0.949 -12.419 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.400 -3.467 -9.811 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.645 -4.211 -9.966 1.00 0.00 C ATOM 1286 C ARG A 104 -19.444 -5.435 -10.854 1.00 0.00 C ATOM 1287 O ARG A 104 -20.116 -6.452 -10.686 1.00 0.00 O ATOM 1288 CB ARG A 104 -20.732 -3.309 -10.564 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.605 -2.641 -9.505 1.00 0.00 C ATOM 1290 CD ARG A 104 -22.141 -1.305 -10.000 1.00 0.00 C ATOM 1291 NE ARG A 104 -21.384 -0.181 -9.449 1.00 0.00 N ATOM 1292 CZ ARG A 104 -21.837 1.071 -9.418 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -23.040 1.362 -9.897 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -21.083 2.035 -8.906 1.00 0.00 N ATOM 0 H ARG A 104 -18.427 -2.517 -10.182 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.961 -4.548 -8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.261 -2.540 -11.176 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.364 -3.901 -11.226 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -22.436 -3.297 -9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -21.025 -2.489 -8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.096 -1.276 -11.089 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -23.190 -1.208 -9.722 1.00 0.00 H new ATOM 0 HE ARG A 104 -20.457 -0.367 -9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -23.624 0.625 -10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -23.381 2.323 -9.870 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -20.158 1.817 -8.537 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -21.429 2.994 -8.882 1.00 0.00 H new ATOM 1308 N ASN A 105 -18.516 -5.328 -11.808 1.00 0.00 N ATOM 1309 CA ASN A 105 -18.229 -6.428 -12.715 1.00 0.00 C ATOM 1310 C ASN A 105 -17.045 -7.258 -12.232 1.00 0.00 C ATOM 1311 O ASN A 105 -16.897 -8.422 -12.597 1.00 0.00 O ATOM 1312 CB ASN A 105 -17.941 -5.889 -14.117 1.00 0.00 C ATOM 1313 CG ASN A 105 -16.907 -4.779 -14.116 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -15.709 -5.033 -13.995 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -17.369 -3.539 -14.236 1.00 0.00 N ATOM 0 H ASN A 105 -17.955 -4.491 -11.968 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.107 -7.073 -12.742 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.592 -6.704 -14.751 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -18.867 -5.517 -14.556 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -16.722 -2.751 -14.230 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -18.371 -3.375 -14.334 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.206 -6.656 -11.387 1.00 0.00 N ATOM 1323 CA GLY A 106 -15.049 -7.360 -10.872 1.00 0.00 C ATOM 1324 C GLY A 106 -13.745 -6.819 -11.417 1.00 0.00 C ATOM 1325 O GLY A 106 -12.818 -7.580 -11.704 1.00 0.00 O ATOM 0 H GLY A 106 -16.310 -5.698 -11.054 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.040 -7.289 -9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.131 -8.418 -11.122 1.00 0.00 H new ATOM 1329 N LYS A 107 -13.673 -5.501 -11.575 1.00 0.00 N ATOM 1330 CA LYS A 107 -12.474 -4.858 -12.098 1.00 0.00 C ATOM 1331 C LYS A 107 -11.451 -4.631 -10.996 1.00 0.00 C ATOM 1332 O LYS A 107 -11.786 -4.132 -9.914 1.00 0.00 O ATOM 1333 CB LYS A 107 -12.836 -3.525 -12.761 1.00 0.00 C ATOM 1334 CG LYS A 107 -11.628 -2.721 -13.218 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.039 -1.557 -14.112 1.00 0.00 C ATOM 1336 CE LYS A 107 -10.877 -1.067 -14.954 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.221 0.173 -15.703 1.00 0.00 N ATOM 0 H LYS A 107 -14.431 -4.858 -11.348 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.032 -5.520 -12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -13.478 -3.719 -13.620 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.416 -2.926 -12.059 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.092 -2.342 -12.348 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.940 -3.371 -13.758 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -12.856 -1.868 -14.763 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.415 -0.739 -13.497 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.017 -0.877 -14.311 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.583 -1.847 -15.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.470 0.382 -16.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.122 0.037 -16.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.311 0.967 -15.037 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.202 -4.999 -11.258 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.128 -4.836 -10.292 1.00 0.00 C ATOM 1353 C GLU A 108 -7.986 -4.011 -10.870 1.00 0.00 C ATOM 1354 O GLU A 108 -7.735 -4.049 -12.075 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.608 -6.201 -9.840 1.00 0.00 C ATOM 1356 CG GLU A 108 -8.371 -7.172 -10.978 1.00 0.00 C ATOM 1357 CD GLU A 108 -8.050 -8.573 -10.498 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -8.889 -9.164 -9.786 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -6.958 -9.081 -10.833 1.00 0.00 O ATOM 0 H GLU A 108 -9.909 -5.416 -12.141 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.532 -4.303 -9.431 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.675 -6.061 -9.294 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.323 -6.639 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.257 -7.204 -11.612 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.550 -6.807 -11.595 1.00 0.00 H new ATOM 1366 N THR A 109 -7.298 -3.266 -10.011 1.00 0.00 N ATOM 1367 CA THR A 109 -6.184 -2.433 -10.446 1.00 0.00 C ATOM 1368 C THR A 109 -4.851 -3.139 -10.217 1.00 0.00 C ATOM 1369 O THR A 109 -4.589 -3.648 -9.127 1.00 0.00 O ATOM 1370 CB THR A 109 -6.201 -1.094 -9.705 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.053 -0.329 -10.027 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.246 -1.245 -8.208 1.00 0.00 C ATOM 0 H THR A 109 -7.492 -3.222 -9.011 1.00 0.00 H new ATOM 0 HA THR A 109 -6.297 -2.250 -11.515 1.00 0.00 H new ATOM 0 HB THR A 109 -7.112 -0.593 -10.031 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.083 0.524 -9.545 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.256 -0.259 -7.743 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.147 -1.789 -7.924 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.368 -1.796 -7.871 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.016 -3.164 -11.249 1.00 0.00 N ATOM 1381 CA LYS A 110 -2.710 -3.808 -11.159 1.00 0.00 C ATOM 1382 C LYS A 110 -1.597 -2.769 -11.077 1.00 0.00 C ATOM 1383 O LYS A 110 -1.404 -1.977 -12.008 1.00 0.00 O ATOM 1384 CB LYS A 110 -2.483 -4.722 -12.372 1.00 0.00 C ATOM 1385 CG LYS A 110 -1.641 -5.947 -12.056 1.00 0.00 C ATOM 1386 CD LYS A 110 -0.791 -6.362 -13.238 1.00 0.00 C ATOM 1387 CE LYS A 110 -1.651 -6.805 -14.420 1.00 0.00 C ATOM 1388 NZ LYS A 110 -1.393 -8.224 -14.792 1.00 0.00 N ATOM 0 H LYS A 110 -4.219 -2.746 -12.157 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.690 -4.409 -10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.449 -5.045 -12.760 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.997 -4.150 -13.162 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.998 -5.736 -11.202 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.293 -6.772 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.156 -5.529 -13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.129 -7.176 -12.943 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.705 -6.681 -14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.449 -6.162 -15.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.996 -8.487 -15.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -0.393 -8.338 -15.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.610 -8.840 -13.983 1.00 0.00 H new ATOM 1402 N SER A 111 -0.867 -2.779 -9.967 1.00 0.00 N ATOM 1403 CA SER A 111 0.229 -1.838 -9.763 1.00 0.00 C ATOM 1404 C SER A 111 1.099 -2.265 -8.586 1.00 0.00 C ATOM 1405 O SER A 111 0.661 -2.237 -7.435 1.00 0.00 O ATOM 1406 CB SER A 111 -0.318 -0.430 -9.525 1.00 0.00 C ATOM 1407 OG SER A 111 -0.890 0.103 -10.716 1.00 0.00 O ATOM 0 H SER A 111 -1.014 -3.428 -9.194 1.00 0.00 H new ATOM 0 HA SER A 111 0.844 -1.833 -10.663 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.070 -0.457 -8.736 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.484 0.222 -9.179 1.00 0.00 H new ATOM 0 HG SER A 111 -0.800 -0.549 -11.442 1.00 0.00 H new ATOM 1413 N ASN A 112 2.333 -2.660 -8.881 1.00 0.00 N ATOM 1414 CA ASN A 112 3.265 -3.094 -7.847 1.00 0.00 C ATOM 1415 C ASN A 112 4.369 -2.062 -7.648 1.00 0.00 C ATOM 1416 O ASN A 112 5.104 -1.730 -8.570 1.00 0.00 O ATOM 1417 CB ASN A 112 3.876 -4.448 -8.219 1.00 0.00 C ATOM 1418 CG ASN A 112 3.851 -5.431 -7.065 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.311 -5.141 -5.997 1.00 0.00 O ATOM 1420 ND2 ASN A 112 4.438 -6.604 -7.275 1.00 0.00 N ATOM 0 H ASN A 112 2.711 -2.688 -9.828 1.00 0.00 H new ATOM 0 HA ASN A 112 2.714 -3.197 -6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.331 -4.870 -9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 112 4.906 -4.301 -8.545 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.453 -7.306 -6.535 1.00 0.00 H new ATOM 0 HD22 ASN A 112 4.873 -6.802 -8.176 1.00 0.00 H new ATOM 1427 N TYR A 113 4.478 -1.555 -6.417 1.00 0.00 N ATOM 1428 CA TYR A 113 5.491 -0.558 -6.089 1.00 0.00 C ATOM 1429 C TYR A 113 6.608 -1.170 -5.251 1.00 0.00 C ATOM 1430 O TYR A 113 6.351 -1.885 -4.282 1.00 0.00 O ATOM 1431 CB TYR A 113 4.860 0.616 -5.337 1.00 0.00 C ATOM 1432 CG TYR A 113 3.528 1.059 -5.903 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.314 1.100 -7.275 1.00 0.00 C ATOM 1434 CD2 TYR A 113 2.486 1.435 -5.065 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.100 1.504 -7.804 1.00 0.00 C ATOM 1436 CE2 TYR A 113 1.269 1.841 -5.579 1.00 0.00 C ATOM 1437 CZ TYR A 113 1.080 1.874 -6.952 1.00 0.00 C ATOM 1438 OH TYR A 113 -0.130 2.277 -7.458 1.00 0.00 O ATOM 0 H TYR A 113 3.878 -1.820 -5.636 1.00 0.00 H new ATOM 0 HA TYR A 113 5.919 -0.194 -7.023 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.725 0.336 -4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 113 5.550 1.459 -5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 113 4.112 0.811 -7.943 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.629 1.410 -3.995 1.00 0.00 H new ATOM 0 HE1 TYR A 113 1.953 1.529 -8.874 1.00 0.00 H new ATOM 0 HE2 TYR A 113 0.469 2.131 -4.914 1.00 0.00 H new ATOM 0 HH TYR A 113 -0.815 2.209 -6.761 1.00 0.00 H new ATOM 1448 N ARG A 114 7.850 -0.883 -5.636 1.00 0.00 N ATOM 1449 CA ARG A 114 9.007 -1.402 -4.910 1.00 0.00 C ATOM 1450 C ARG A 114 9.666 -0.304 -4.088 1.00 0.00 C ATOM 1451 O ARG A 114 10.262 0.625 -4.632 1.00 0.00 O ATOM 1452 CB ARG A 114 10.021 -1.994 -5.891 1.00 0.00 C ATOM 1453 CG ARG A 114 10.930 -3.042 -5.276 1.00 0.00 C ATOM 1454 CD ARG A 114 11.984 -2.406 -4.384 1.00 0.00 C ATOM 1455 NE ARG A 114 13.058 -3.340 -4.047 1.00 0.00 N ATOM 1456 CZ ARG A 114 14.031 -3.678 -4.889 1.00 0.00 C ATOM 1457 NH1 ARG A 114 14.068 -3.162 -6.120 1.00 0.00 N ATOM 1458 NH2 ARG A 114 14.970 -4.533 -4.509 1.00 0.00 N ATOM 0 H ARG A 114 8.080 -0.299 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 114 8.663 -2.184 -4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.484 -2.439 -6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 114 10.633 -1.188 -6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.335 -3.746 -4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.417 -3.613 -6.067 1.00 0.00 H new ATOM 0 HD2 ARG A 114 12.406 -1.536 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 114 11.515 -2.049 -3.468 1.00 0.00 H new ATOM 0 HE ARG A 114 13.061 -3.755 -3.115 1.00 0.00 H new ATOM 0 HH11 ARG A 114 13.348 -2.505 -6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 114 14.817 -3.425 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 114 14.947 -4.932 -3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 114 15.716 -4.792 -5.155 1.00 0.00 H new ATOM 1472 N VAL A 115 9.552 -0.417 -2.761 1.00 0.00 N ATOM 1473 CA VAL A 115 10.132 0.568 -1.857 1.00 0.00 C ATOM 1474 C VAL A 115 11.410 0.041 -1.220 1.00 0.00 C ATOM 1475 O VAL A 115 11.439 -1.070 -0.692 1.00 0.00 O ATOM 1476 CB VAL A 115 9.141 0.968 -0.749 1.00 0.00 C ATOM 1477 CG1 VAL A 115 9.674 2.151 0.036 1.00 0.00 C ATOM 1478 CG2 VAL A 115 7.777 1.286 -1.343 1.00 0.00 C ATOM 0 H VAL A 115 9.063 -1.181 -2.294 1.00 0.00 H new ATOM 0 HA VAL A 115 10.365 1.449 -2.455 1.00 0.00 H new ATOM 0 HB VAL A 115 9.027 0.127 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 115 8.962 2.421 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.627 1.885 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.817 2.998 -0.635 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.089 1.567 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.871 2.112 -2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.392 0.408 -1.861 1.00 0.00 H new ATOM 1488 N ARG A 116 12.466 0.849 -1.258 1.00 0.00 N ATOM 1489 CA ARG A 116 13.748 0.469 -0.677 1.00 0.00 C ATOM 1490 C ARG A 116 14.292 1.585 0.200 1.00 0.00 C ATOM 1491 O ARG A 116 14.212 2.763 -0.143 1.00 0.00 O ATOM 1492 CB ARG A 116 14.754 0.140 -1.781 1.00 0.00 C ATOM 1493 CG ARG A 116 16.037 -0.492 -1.266 1.00 0.00 C ATOM 1494 CD ARG A 116 15.814 -1.928 -0.828 1.00 0.00 C ATOM 1495 NE ARG A 116 16.429 -2.888 -1.740 1.00 0.00 N ATOM 1496 CZ ARG A 116 16.403 -4.207 -1.551 1.00 0.00 C ATOM 1497 NH1 ARG A 116 15.791 -4.725 -0.494 1.00 0.00 N ATOM 1498 NH2 ARG A 116 16.987 -5.009 -2.429 1.00 0.00 N ATOM 0 H ARG A 116 12.458 1.774 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 116 13.593 -0.416 -0.060 1.00 0.00 H new ATOM 0 HB2 ARG A 116 14.287 -0.537 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.000 1.054 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 116 16.797 -0.463 -2.047 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.419 0.090 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.223 -2.068 0.173 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.744 -2.124 -0.765 1.00 0.00 H new ATOM 0 HE ARG A 116 16.905 -2.529 -2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 116 15.335 -4.113 0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 116 15.776 -5.736 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.454 -4.616 -3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 116 16.969 -6.019 -2.288 1.00 0.00 H new ATOM 1512 N VAL A 117 14.846 1.209 1.341 1.00 0.00 N ATOM 1513 CA VAL A 117 15.399 2.183 2.280 1.00 0.00 C ATOM 1514 C VAL A 117 16.901 2.351 2.067 1.00 0.00 C ATOM 1515 O VAL A 117 17.569 1.462 1.538 1.00 0.00 O ATOM 1516 CB VAL A 117 15.128 1.781 3.737 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.636 1.612 3.977 1.00 0.00 C ATOM 1518 CG2 VAL A 117 15.883 0.508 4.097 1.00 0.00 C ATOM 0 H VAL A 117 14.927 0.238 1.643 1.00 0.00 H new ATOM 0 HA VAL A 117 14.901 3.133 2.086 1.00 0.00 H new ATOM 0 HB VAL A 117 15.489 2.580 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.464 1.327 5.015 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.125 2.552 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.247 0.835 3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.676 0.243 5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.561 -0.303 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 117 16.953 0.672 3.972 1.00 0.00 H new ATOM 1528 N TYR A 118 17.428 3.497 2.496 1.00 0.00 N ATOM 1529 CA TYR A 118 18.852 3.783 2.350 1.00 0.00 C ATOM 1530 C TYR A 118 19.691 2.714 3.052 1.00 0.00 C ATOM 1531 O TYR A 118 20.640 2.182 2.467 1.00 0.00 O ATOM 1532 CB TYR A 118 19.176 5.161 2.940 1.00 0.00 C ATOM 1533 CG TYR A 118 19.214 6.263 1.897 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.199 6.396 0.958 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.267 7.169 1.857 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.231 7.402 0.011 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.306 8.177 0.913 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.286 8.289 0.000 1.00 0.00 C ATOM 1539 OH TYR A 118 19.321 9.292 -0.934 1.00 0.00 O ATOM 0 H TYR A 118 16.892 4.239 2.946 1.00 0.00 H new ATOM 0 HA TYR A 118 19.095 3.779 1.287 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.431 5.410 3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.140 5.115 3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.372 5.702 0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 118 21.068 7.084 2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.436 7.492 -0.714 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.133 8.872 0.893 1.00 0.00 H new ATOM 0 HH TYR A 118 20.130 9.831 -0.805 1.00 0.00 H new ATOM 1549 N GLN A 119 19.334 2.403 4.286 1.00 0.00 N ATOM 1550 CA GLN A 119 20.052 1.397 5.059 1.00 0.00 C ATOM 1551 C GLN A 119 19.739 -0.006 4.547 1.00 0.00 C ATOM 1552 O GLN A 119 18.625 -0.282 4.112 1.00 0.00 O ATOM 1553 CB GLN A 119 19.689 1.508 6.542 1.00 0.00 C ATOM 1554 CG GLN A 119 20.752 2.203 7.377 1.00 0.00 C ATOM 1555 CD GLN A 119 21.894 1.280 7.755 1.00 0.00 C ATOM 1556 OE1 GLN A 119 21.825 0.566 8.755 1.00 0.00 O ATOM 1557 NE2 GLN A 119 22.952 1.292 6.953 1.00 0.00 N ATOM 0 H GLN A 119 18.550 2.832 4.778 1.00 0.00 H new ATOM 0 HA GLN A 119 21.121 1.576 4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 119 18.750 2.053 6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 119 19.520 0.508 6.942 1.00 0.00 H new ATOM 0 HG2 GLN A 119 21.146 3.054 6.821 1.00 0.00 H new ATOM 0 HG3 GLN A 119 20.295 2.599 8.284 1.00 0.00 H new ATOM 0 HE21 GLN A 119 22.965 1.901 6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 119 23.752 0.692 7.155 1.00 0.00 H new ATOM 1566 N ILE A 120 20.731 -0.889 4.620 1.00 0.00 N ATOM 1567 CA ILE A 120 20.560 -2.265 4.154 1.00 0.00 C ATOM 1568 C ILE A 120 20.636 -3.245 5.323 1.00 0.00 C ATOM 1569 O ILE A 120 21.361 -3.015 6.290 1.00 0.00 O ATOM 1570 CB ILE A 120 21.617 -2.659 3.098 1.00 0.00 C ATOM 1571 CG1 ILE A 120 22.886 -1.822 3.267 1.00 0.00 C ATOM 1572 CG2 ILE A 120 21.047 -2.492 1.704 1.00 0.00 C ATOM 1573 CD1 ILE A 120 23.931 -2.077 2.202 1.00 0.00 C ATOM 0 H ILE A 120 21.656 -0.680 4.995 1.00 0.00 H new ATOM 0 HA ILE A 120 19.575 -2.316 3.690 1.00 0.00 H new ATOM 0 HB ILE A 120 21.882 -3.706 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 120 22.618 -0.766 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 120 23.319 -2.029 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 120 21.800 -2.772 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 120 20.172 -3.131 1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 120 20.759 -1.452 1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 120 24.801 -1.448 2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 120 24.229 -3.125 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 120 23.516 -1.842 1.222 1.00 0.00 H new ATOM 1585 N PRO A 121 19.883 -4.357 5.256 1.00 0.00 N ATOM 1586 CA PRO A 121 19.869 -5.373 6.306 1.00 0.00 C ATOM 1587 C PRO A 121 21.271 -5.845 6.673 1.00 0.00 C ATOM 1588 O PRO A 121 21.808 -6.717 5.957 1.00 0.00 O ATOM 1589 CB PRO A 121 19.064 -6.519 5.689 1.00 0.00 C ATOM 1590 CG PRO A 121 18.195 -5.866 4.671 1.00 0.00 C ATOM 1591 CD PRO A 121 18.988 -4.710 4.130 1.00 0.00 C ATOM 1592 OXT PRO A 121 21.823 -5.339 7.680 1.00 0.00 O ATOM 0 HA PRO A 121 19.444 -4.990 7.234 1.00 0.00 H new ATOM 0 HB2 PRO A 121 19.718 -7.262 5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 121 18.471 -7.037 6.443 1.00 0.00 H new ATOM 0 HG2 PRO A 121 17.932 -6.565 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 121 17.261 -5.524 5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 121 19.552 -4.990 3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 121 18.344 -3.876 3.850 1.00 0.00 H new TER 1600 PRO A 121