USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 14 CYS SG : rot 60:sc= 0.997 USER MOD Set 1.2: A 17 CYS SG : rot 106:sc= 0.832 USER MOD Set 2.1: A 13 THR OG1 : rot -64:sc= 1.47 USER MOD Set 2.2: A 41 GLN : amide:sc= 0.748 K(o=2.2,f=0.93) USER MOD Single : A 6 LYS NZ :NH3+ -131:sc= 1.08 (180deg=0.511) USER MOD Single : A 7 MET CE :methyl -140:sc= 0 (180deg=-0.384) USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= 1.21 (180deg=1.1) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.039) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 137:sc= 1.21 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 82:sc= 0.299 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0452 K(o=-0.045,f=-0.66) USER MOD Single : A 32 GLN : amide:sc= -0.924 X(o=-0.92,f=-1.3!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0301 K(o=-0.03,f=-0.92) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0683 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.06) USER MOD Single : A 53 SER OG : rot -55:sc= 1.25 USER MOD Single : A 57 MET CE :methyl 152:sc= -0.638 (180deg=-1.53) USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= 0.961 (180deg=-3.39!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.529 K(o=-0.53,f=-1.3) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.016) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 1.22 (180deg=0.825) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 0.889 1.360 14.554 1.00 0.00 N ATOM 11 CA GLU A 2 0.713 1.096 13.140 1.00 0.00 C ATOM 12 C GLU A 2 0.710 -0.399 12.814 1.00 0.00 C ATOM 13 O GLU A 2 1.000 -1.240 13.666 1.00 0.00 O ATOM 14 CB GLU A 2 1.788 1.851 12.355 1.00 0.00 C ATOM 15 CG GLU A 2 3.225 1.533 12.810 1.00 0.00 C ATOM 16 CD GLU A 2 3.770 2.552 13.801 1.00 0.00 C ATOM 17 OE1 GLU A 2 2.946 3.072 14.586 1.00 0.00 O ATOM 18 OE2 GLU A 2 4.971 2.868 13.704 1.00 0.00 O ATOM 0 HA GLU A 2 -0.271 1.457 12.841 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.690 1.609 11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.613 2.922 12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.246 0.543 13.266 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.878 1.497 11.938 1.00 0.00 H new ATOM 25 N VAL A 3 0.354 -0.707 11.567 1.00 0.00 N ATOM 26 CA VAL A 3 0.205 -2.048 11.034 1.00 0.00 C ATOM 27 C VAL A 3 0.778 -2.047 9.616 1.00 0.00 C ATOM 28 O VAL A 3 0.658 -1.055 8.889 1.00 0.00 O ATOM 29 CB VAL A 3 -1.287 -2.418 11.057 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.631 -3.671 10.249 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.769 -2.623 12.500 1.00 0.00 C ATOM 0 H VAL A 3 0.153 0.012 10.872 1.00 0.00 H new ATOM 0 HA VAL A 3 0.740 -2.791 11.625 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.797 -1.577 10.588 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.702 -3.864 10.316 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.354 -3.519 9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.083 -4.524 10.649 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.827 -2.884 12.496 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.198 -3.428 12.963 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.624 -1.703 13.066 1.00 0.00 H new ATOM 41 N VAL A 4 1.401 -3.165 9.241 1.00 0.00 N ATOM 42 CA VAL A 4 1.942 -3.427 7.918 1.00 0.00 C ATOM 43 C VAL A 4 0.883 -4.205 7.132 1.00 0.00 C ATOM 44 O VAL A 4 0.321 -5.185 7.622 1.00 0.00 O ATOM 45 CB VAL A 4 3.299 -4.165 8.038 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.346 -5.506 7.305 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.440 -3.326 7.468 1.00 0.00 C ATOM 0 H VAL A 4 1.546 -3.944 9.884 1.00 0.00 H new ATOM 0 HA VAL A 4 2.157 -2.507 7.375 1.00 0.00 H new ATOM 0 HB VAL A 4 3.411 -4.336 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.329 -5.959 7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.583 -6.170 7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.160 -5.347 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.378 -3.872 7.567 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.250 -3.121 6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.508 -2.385 8.014 1.00 0.00 H new ATOM 57 N LEU A 5 0.615 -3.760 5.907 1.00 0.00 N ATOM 58 CA LEU A 5 -0.335 -4.329 4.985 1.00 0.00 C ATOM 59 C LEU A 5 0.475 -4.720 3.755 1.00 0.00 C ATOM 60 O LEU A 5 1.149 -3.861 3.187 1.00 0.00 O ATOM 61 CB LEU A 5 -1.340 -3.210 4.687 1.00 0.00 C ATOM 62 CG LEU A 5 -2.578 -3.602 3.884 1.00 0.00 C ATOM 63 CD1 LEU A 5 -2.222 -3.964 2.440 1.00 0.00 C ATOM 64 CD2 LEU A 5 -3.329 -4.723 4.602 1.00 0.00 C ATOM 0 H LEU A 5 1.089 -2.944 5.519 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.874 -5.203 5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.669 -2.785 5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.820 -2.419 4.147 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.244 -2.742 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.128 -4.238 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.755 -3.107 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.529 -4.806 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.211 -4.998 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.677 -5.590 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.635 -4.381 5.591 1.00 0.00 H new ATOM 76 N LYS A 6 0.456 -5.994 3.356 1.00 0.00 N ATOM 77 CA LYS A 6 1.196 -6.469 2.198 1.00 0.00 C ATOM 78 C LYS A 6 0.163 -6.895 1.152 1.00 0.00 C ATOM 79 O LYS A 6 -0.666 -7.776 1.410 1.00 0.00 O ATOM 80 CB LYS A 6 2.122 -7.618 2.624 1.00 0.00 C ATOM 81 CG LYS A 6 3.504 -7.636 1.963 1.00 0.00 C ATOM 82 CD LYS A 6 4.542 -7.023 2.914 1.00 0.00 C ATOM 83 CE LYS A 6 5.983 -7.196 2.413 1.00 0.00 C ATOM 84 NZ LYS A 6 6.359 -8.614 2.244 1.00 0.00 N ATOM 0 H LYS A 6 -0.076 -6.722 3.832 1.00 0.00 H new ATOM 0 HA LYS A 6 1.836 -5.698 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.257 -7.570 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.623 -8.562 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.785 -8.659 1.714 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.478 -7.076 1.028 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.331 -5.961 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.446 -7.485 3.896 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.097 -6.678 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.668 -6.724 3.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.274 -8.788 2.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.632 -9.220 2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.436 -8.834 1.231 1.00 0.00 H new ATOM 98 N MET A 7 0.183 -6.244 -0.010 1.00 0.00 N ATOM 99 CA MET A 7 -0.657 -6.572 -1.144 1.00 0.00 C ATOM 100 C MET A 7 0.207 -7.004 -2.323 1.00 0.00 C ATOM 101 O MET A 7 1.140 -6.306 -2.703 1.00 0.00 O ATOM 102 CB MET A 7 -1.578 -5.402 -1.504 1.00 0.00 C ATOM 103 CG MET A 7 -0.907 -4.040 -1.458 1.00 0.00 C ATOM 104 SD MET A 7 -1.842 -2.674 -2.194 1.00 0.00 S ATOM 105 CE MET A 7 -3.009 -2.310 -0.864 1.00 0.00 C ATOM 0 H MET A 7 0.803 -5.454 -0.186 1.00 0.00 H new ATOM 0 HA MET A 7 -1.303 -7.409 -0.877 1.00 0.00 H new ATOM 0 HB2 MET A 7 -1.977 -5.564 -2.505 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.426 -5.399 -0.820 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.699 -3.793 -0.417 1.00 0.00 H new ATOM 0 HG3 MET A 7 0.054 -4.112 -1.966 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.989 -2.095 -1.289 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.083 -3.171 -0.199 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.660 -1.445 -0.300 1.00 0.00 H new ATOM 115 N LYS A 8 -0.114 -8.155 -2.912 1.00 0.00 N ATOM 116 CA LYS A 8 0.535 -8.604 -4.140 1.00 0.00 C ATOM 117 C LYS A 8 -0.046 -7.760 -5.273 1.00 0.00 C ATOM 118 O LYS A 8 -1.267 -7.730 -5.403 1.00 0.00 O ATOM 119 CB LYS A 8 0.259 -10.106 -4.303 1.00 0.00 C ATOM 120 CG LYS A 8 0.896 -10.776 -5.526 1.00 0.00 C ATOM 121 CD LYS A 8 0.309 -10.353 -6.884 1.00 0.00 C ATOM 122 CE LYS A 8 0.291 -11.499 -7.910 1.00 0.00 C ATOM 123 NZ LYS A 8 -1.061 -12.075 -8.064 1.00 0.00 N ATOM 0 H LYS A 8 -0.823 -8.795 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 8 1.618 -8.477 -4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.610 -10.619 -3.408 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.820 -10.254 -4.353 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.964 -10.557 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.792 -11.856 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.707 -9.987 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.892 -9.523 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.641 -11.130 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.985 -12.279 -7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.986 -13.039 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.533 -12.106 -7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.617 -11.486 -8.716 1.00 0.00 H new ATOM 137 N VAL A 9 0.780 -7.081 -6.072 1.00 0.00 N ATOM 138 CA VAL A 9 0.314 -6.244 -7.176 1.00 0.00 C ATOM 139 C VAL A 9 0.738 -6.883 -8.492 1.00 0.00 C ATOM 140 O VAL A 9 1.712 -7.628 -8.518 1.00 0.00 O ATOM 141 CB VAL A 9 0.863 -4.813 -7.052 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.107 -4.049 -5.962 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.370 -4.773 -6.778 1.00 0.00 C ATOM 0 H VAL A 9 1.795 -7.097 -5.970 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.773 -6.174 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 9 0.705 -4.330 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.505 -3.037 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.952 -4.004 -6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.229 -4.561 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.698 -3.737 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.584 -5.292 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.901 -5.262 -7.594 1.00 0.00 H new ATOM 153 N GLU A 10 0.019 -6.597 -9.577 1.00 0.00 N ATOM 154 CA GLU A 10 0.389 -7.060 -10.906 1.00 0.00 C ATOM 155 C GLU A 10 0.729 -5.865 -11.792 1.00 0.00 C ATOM 156 O GLU A 10 0.283 -4.742 -11.551 1.00 0.00 O ATOM 157 CB GLU A 10 -0.721 -7.937 -11.498 1.00 0.00 C ATOM 158 CG GLU A 10 -0.921 -9.225 -10.692 1.00 0.00 C ATOM 159 CD GLU A 10 -2.305 -9.398 -10.073 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.299 -9.030 -10.727 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.342 -9.972 -8.961 1.00 0.00 O ATOM 0 H GLU A 10 -0.834 -6.039 -9.555 1.00 0.00 H new ATOM 0 HA GLU A 10 1.280 -7.685 -10.843 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.654 -7.375 -11.522 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.474 -8.189 -12.529 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.723 -10.076 -11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.178 -9.254 -9.895 1.00 0.00 H new ATOM 168 N GLY A 11 1.557 -6.099 -12.810 1.00 0.00 N ATOM 169 CA GLY A 11 1.855 -5.124 -13.849 1.00 0.00 C ATOM 170 C GLY A 11 2.941 -4.137 -13.425 1.00 0.00 C ATOM 171 O GLY A 11 3.868 -3.879 -14.192 1.00 0.00 O ATOM 0 H GLY A 11 2.045 -6.986 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.173 -5.645 -14.752 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.947 -4.576 -14.100 1.00 0.00 H new ATOM 175 N MET A 12 2.826 -3.571 -12.220 1.00 0.00 N ATOM 176 CA MET A 12 3.773 -2.580 -11.726 1.00 0.00 C ATOM 177 C MET A 12 5.174 -3.172 -11.545 1.00 0.00 C ATOM 178 O MET A 12 5.544 -3.591 -10.450 1.00 0.00 O ATOM 179 CB MET A 12 3.294 -1.953 -10.415 1.00 0.00 C ATOM 180 CG MET A 12 1.993 -1.159 -10.567 1.00 0.00 C ATOM 181 SD MET A 12 1.687 0.040 -9.240 1.00 0.00 S ATOM 182 CE MET A 12 1.529 -1.060 -7.821 1.00 0.00 C ATOM 0 H MET A 12 2.075 -3.789 -11.565 1.00 0.00 H new ATOM 0 HA MET A 12 3.831 -1.798 -12.483 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.148 -2.740 -9.675 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.072 -1.294 -10.029 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.014 -0.630 -11.520 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.158 -1.858 -10.608 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.338 -0.471 -6.924 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.701 -1.750 -7.986 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.452 -1.625 -7.694 1.00 0.00 H new ATOM 192 N THR A 13 5.957 -3.166 -12.621 1.00 0.00 N ATOM 193 CA THR A 13 7.329 -3.629 -12.665 1.00 0.00 C ATOM 194 C THR A 13 8.189 -2.627 -13.445 1.00 0.00 C ATOM 195 O THR A 13 8.951 -2.997 -14.335 1.00 0.00 O ATOM 196 CB THR A 13 7.338 -5.074 -13.178 1.00 0.00 C ATOM 197 OG1 THR A 13 6.639 -5.856 -12.234 1.00 0.00 O ATOM 198 CG2 THR A 13 8.726 -5.698 -13.304 1.00 0.00 C ATOM 0 H THR A 13 5.631 -2.821 -13.524 1.00 0.00 H new ATOM 0 HA THR A 13 7.791 -3.666 -11.678 1.00 0.00 H new ATOM 0 HB THR A 13 6.897 -5.052 -14.174 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.123 -5.851 -11.382 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.634 -6.719 -13.673 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.326 -5.113 -14.001 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.211 -5.708 -12.328 1.00 0.00 H new ATOM 206 N CYS A 14 8.098 -1.344 -13.083 1.00 0.00 N ATOM 207 CA CYS A 14 9.030 -0.312 -13.505 1.00 0.00 C ATOM 208 C CYS A 14 8.881 0.863 -12.540 1.00 0.00 C ATOM 209 O CYS A 14 7.947 0.879 -11.735 1.00 0.00 O ATOM 210 CB CYS A 14 8.810 0.072 -14.979 1.00 0.00 C ATOM 211 SG CYS A 14 7.259 0.904 -15.414 1.00 0.00 S ATOM 0 H CYS A 14 7.357 -0.994 -12.476 1.00 0.00 H new ATOM 0 HA CYS A 14 10.058 -0.672 -13.463 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.633 0.718 -15.283 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.881 -0.837 -15.576 1.00 0.00 H new ATOM 0 HG CYS A 14 7.162 2.016 -14.748 1.00 0.00 H new ATOM 216 N HIS A 15 9.815 1.819 -12.594 1.00 0.00 N ATOM 217 CA HIS A 15 9.686 3.080 -11.876 1.00 0.00 C ATOM 218 C HIS A 15 8.509 3.882 -12.441 1.00 0.00 C ATOM 219 O HIS A 15 7.837 3.469 -13.380 1.00 0.00 O ATOM 220 CB HIS A 15 11.008 3.876 -11.923 1.00 0.00 C ATOM 221 CG HIS A 15 11.921 3.674 -10.735 1.00 0.00 C ATOM 222 ND1 HIS A 15 13.299 3.697 -10.772 1.00 0.00 N ATOM 223 CD2 HIS A 15 11.553 3.693 -9.414 1.00 0.00 C ATOM 224 CE1 HIS A 15 13.742 3.701 -9.502 1.00 0.00 C ATOM 225 NE2 HIS A 15 12.715 3.702 -8.640 1.00 0.00 N ATOM 0 H HIS A 15 10.675 1.736 -13.135 1.00 0.00 H new ATOM 0 HA HIS A 15 9.478 2.876 -10.826 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.549 3.599 -12.828 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.772 4.937 -12.004 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.541 3.700 -9.038 1.00 0.00 H new ATOM 0 HE1 HIS A 15 14.783 3.703 -9.216 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.771 3.708 -7.622 1.00 0.00 H new ATOM 233 N SER A 16 8.228 5.040 -11.845 1.00 0.00 N ATOM 234 CA SER A 16 7.030 5.816 -12.129 1.00 0.00 C ATOM 235 C SER A 16 5.829 5.118 -11.491 1.00 0.00 C ATOM 236 O SER A 16 5.294 5.648 -10.526 1.00 0.00 O ATOM 237 CB SER A 16 6.853 6.110 -13.629 1.00 0.00 C ATOM 238 OG SER A 16 6.071 7.275 -13.798 1.00 0.00 O ATOM 0 H SER A 16 8.834 5.467 -11.145 1.00 0.00 H new ATOM 0 HA SER A 16 7.126 6.805 -11.681 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.827 6.243 -14.101 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.373 5.264 -14.121 1.00 0.00 H new ATOM 0 HG SER A 16 5.962 7.460 -14.754 1.00 0.00 H new ATOM 244 N CYS A 17 5.458 3.916 -11.948 1.00 0.00 N ATOM 245 CA CYS A 17 4.339 3.151 -11.397 1.00 0.00 C ATOM 246 C CYS A 17 4.399 3.100 -9.867 1.00 0.00 C ATOM 247 O CYS A 17 3.524 3.635 -9.183 1.00 0.00 O ATOM 248 CB CYS A 17 4.349 1.740 -11.995 1.00 0.00 C ATOM 249 SG CYS A 17 4.110 1.678 -13.786 1.00 0.00 S ATOM 0 H CYS A 17 5.932 3.445 -12.718 1.00 0.00 H new ATOM 0 HA CYS A 17 3.406 3.647 -11.664 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.299 1.264 -11.752 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.566 1.152 -11.517 1.00 0.00 H new ATOM 0 HG CYS A 17 5.241 1.403 -14.365 1.00 0.00 H new ATOM 254 N THR A 18 5.456 2.478 -9.336 1.00 0.00 N ATOM 255 CA THR A 18 5.661 2.392 -7.897 1.00 0.00 C ATOM 256 C THR A 18 5.671 3.795 -7.277 1.00 0.00 C ATOM 257 O THR A 18 4.884 4.087 -6.381 1.00 0.00 O ATOM 258 CB THR A 18 6.910 1.552 -7.546 1.00 0.00 C ATOM 259 OG1 THR A 18 7.234 1.746 -6.187 1.00 0.00 O ATOM 260 CG2 THR A 18 8.162 1.867 -8.368 1.00 0.00 C ATOM 0 H THR A 18 6.184 2.026 -9.890 1.00 0.00 H new ATOM 0 HA THR A 18 4.822 1.856 -7.453 1.00 0.00 H new ATOM 0 HB THR A 18 6.632 0.524 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.458 0.884 -5.778 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.981 1.224 -8.045 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.958 1.691 -9.424 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.440 2.911 -8.222 1.00 0.00 H new ATOM 268 N SER A 19 6.548 4.673 -7.772 1.00 0.00 N ATOM 269 CA SER A 19 6.847 5.964 -7.162 1.00 0.00 C ATOM 270 C SER A 19 5.595 6.838 -7.047 1.00 0.00 C ATOM 271 O SER A 19 5.337 7.416 -5.995 1.00 0.00 O ATOM 272 CB SER A 19 7.959 6.647 -7.967 1.00 0.00 C ATOM 273 OG SER A 19 8.406 7.818 -7.317 1.00 0.00 O ATOM 0 H SER A 19 7.079 4.499 -8.625 1.00 0.00 H new ATOM 0 HA SER A 19 7.197 5.810 -6.141 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.794 5.958 -8.098 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.592 6.897 -8.962 1.00 0.00 H new ATOM 0 HG SER A 19 9.116 8.236 -7.848 1.00 0.00 H new ATOM 279 N THR A 20 4.793 6.925 -8.112 1.00 0.00 N ATOM 280 CA THR A 20 3.529 7.643 -8.108 1.00 0.00 C ATOM 281 C THR A 20 2.647 7.155 -6.962 1.00 0.00 C ATOM 282 O THR A 20 2.126 7.966 -6.197 1.00 0.00 O ATOM 283 CB THR A 20 2.843 7.475 -9.473 1.00 0.00 C ATOM 284 OG1 THR A 20 3.625 8.112 -10.463 1.00 0.00 O ATOM 285 CG2 THR A 20 1.438 8.084 -9.506 1.00 0.00 C ATOM 0 H THR A 20 5.012 6.491 -9.009 1.00 0.00 H new ATOM 0 HA THR A 20 3.707 8.706 -7.947 1.00 0.00 H new ATOM 0 HB THR A 20 2.751 6.405 -9.659 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.350 7.515 -10.742 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.001 7.937 -10.493 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.813 7.599 -8.756 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.499 9.151 -9.292 1.00 0.00 H new ATOM 293 N ILE A 21 2.466 5.839 -6.841 1.00 0.00 N ATOM 294 CA ILE A 21 1.638 5.276 -5.784 1.00 0.00 C ATOM 295 C ILE A 21 2.256 5.552 -4.413 1.00 0.00 C ATOM 296 O ILE A 21 1.544 5.971 -3.500 1.00 0.00 O ATOM 297 CB ILE A 21 1.338 3.794 -6.098 1.00 0.00 C ATOM 298 CG1 ILE A 21 -0.149 3.653 -6.411 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.688 2.838 -4.968 1.00 0.00 C ATOM 300 CD1 ILE A 21 -0.491 2.356 -7.138 1.00 0.00 C ATOM 0 H ILE A 21 2.883 5.147 -7.464 1.00 0.00 H new ATOM 0 HA ILE A 21 0.665 5.766 -5.743 1.00 0.00 H new ATOM 0 HB ILE A 21 1.967 3.521 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.715 3.701 -5.481 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.467 4.498 -7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.448 1.818 -5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.753 2.910 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.115 3.100 -4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.563 2.319 -7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.049 2.316 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.203 1.506 -6.520 1.00 0.00 H new ATOM 312 N GLU A 22 3.571 5.366 -4.282 1.00 0.00 N ATOM 313 CA GLU A 22 4.312 5.660 -3.069 1.00 0.00 C ATOM 314 C GLU A 22 4.023 7.097 -2.621 1.00 0.00 C ATOM 315 O GLU A 22 3.586 7.328 -1.492 1.00 0.00 O ATOM 316 CB GLU A 22 5.810 5.315 -3.250 1.00 0.00 C ATOM 317 CG GLU A 22 6.134 4.124 -2.333 1.00 0.00 C ATOM 318 CD GLU A 22 7.584 3.652 -2.320 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.472 4.488 -2.583 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.774 2.461 -1.978 1.00 0.00 O ATOM 0 H GLU A 22 4.155 5.000 -5.034 1.00 0.00 H new ATOM 0 HA GLU A 22 3.978 5.024 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.021 5.065 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.433 6.173 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.853 4.391 -1.314 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.504 3.285 -2.628 1.00 0.00 H new ATOM 327 N GLY A 23 4.182 8.053 -3.535 1.00 0.00 N ATOM 328 CA GLY A 23 3.833 9.446 -3.329 1.00 0.00 C ATOM 329 C GLY A 23 2.371 9.618 -2.916 1.00 0.00 C ATOM 330 O GLY A 23 2.080 10.266 -1.912 1.00 0.00 O ATOM 0 H GLY A 23 4.568 7.869 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.479 9.871 -2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.018 10.005 -4.246 1.00 0.00 H new ATOM 334 N LYS A 24 1.436 9.078 -3.708 1.00 0.00 N ATOM 335 CA LYS A 24 0.017 9.316 -3.496 1.00 0.00 C ATOM 336 C LYS A 24 -0.419 8.816 -2.124 1.00 0.00 C ATOM 337 O LYS A 24 -0.997 9.554 -1.329 1.00 0.00 O ATOM 338 CB LYS A 24 -0.829 8.682 -4.616 1.00 0.00 C ATOM 339 CG LYS A 24 -2.090 9.519 -4.865 1.00 0.00 C ATOM 340 CD LYS A 24 -1.756 10.663 -5.836 1.00 0.00 C ATOM 341 CE LYS A 24 -2.846 11.744 -5.816 1.00 0.00 C ATOM 342 NZ LYS A 24 -2.604 12.784 -6.838 1.00 0.00 N ATOM 0 H LYS A 24 1.646 8.473 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.150 10.393 -3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.242 8.615 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.107 7.665 -4.340 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.880 8.893 -5.280 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.464 9.923 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.797 11.105 -5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.651 10.267 -6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.819 11.283 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.883 12.205 -4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.360 13.496 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.687 13.241 -6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.594 12.347 -7.782 1.00 0.00 H new ATOM 356 N ILE A 25 -0.140 7.548 -1.854 1.00 0.00 N ATOM 357 CA ILE A 25 -0.521 6.919 -0.604 1.00 0.00 C ATOM 358 C ILE A 25 0.239 7.572 0.549 1.00 0.00 C ATOM 359 O ILE A 25 -0.363 7.899 1.572 1.00 0.00 O ATOM 360 CB ILE A 25 -0.337 5.401 -0.715 1.00 0.00 C ATOM 361 CG1 ILE A 25 -1.235 4.774 -1.789 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.508 4.719 0.643 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.709 4.975 -1.479 1.00 0.00 C ATOM 0 H ILE A 25 0.356 6.930 -2.496 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.578 7.074 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 25 0.689 5.231 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.004 5.215 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.021 3.708 -1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.371 3.644 0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.233 5.107 1.341 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.508 4.919 1.027 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.312 4.517 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.946 4.511 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.928 6.042 -1.430 1.00 0.00 H new ATOM 375 N GLY A 26 1.534 7.840 0.360 1.00 0.00 N ATOM 376 CA GLY A 26 2.353 8.563 1.318 1.00 0.00 C ATOM 377 C GLY A 26 1.756 9.907 1.749 1.00 0.00 C ATOM 378 O GLY A 26 2.096 10.400 2.821 1.00 0.00 O ATOM 0 H GLY A 26 2.043 7.554 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.499 7.940 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.338 8.736 0.884 1.00 0.00 H new ATOM 382 N LYS A 27 0.882 10.518 0.939 1.00 0.00 N ATOM 383 CA LYS A 27 0.256 11.784 1.271 1.00 0.00 C ATOM 384 C LYS A 27 -0.956 11.609 2.203 1.00 0.00 C ATOM 385 O LYS A 27 -1.374 12.588 2.819 1.00 0.00 O ATOM 386 CB LYS A 27 -0.053 12.533 -0.038 1.00 0.00 C ATOM 387 CG LYS A 27 -0.992 13.729 0.148 1.00 0.00 C ATOM 388 CD LYS A 27 -0.921 14.712 -1.030 1.00 0.00 C ATOM 389 CE LYS A 27 0.186 15.749 -0.777 1.00 0.00 C ATOM 390 NZ LYS A 27 0.338 16.703 -1.895 1.00 0.00 N ATOM 0 H LYS A 27 0.595 10.140 0.036 1.00 0.00 H new ATOM 0 HA LYS A 27 0.941 12.399 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.882 12.880 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.500 11.837 -0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.016 13.371 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.735 14.250 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.721 14.171 -1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.880 15.214 -1.155 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.039 16.299 0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.132 15.233 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.096 17.379 -1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.579 16.184 -2.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.555 17.218 -2.036 1.00 0.00 H new ATOM 404 N LEU A 28 -1.563 10.420 2.323 1.00 0.00 N ATOM 405 CA LEU A 28 -2.777 10.305 3.109 1.00 0.00 C ATOM 406 C LEU A 28 -2.478 10.377 4.605 1.00 0.00 C ATOM 407 O LEU A 28 -1.616 9.665 5.128 1.00 0.00 O ATOM 408 CB LEU A 28 -3.504 9.004 2.823 1.00 0.00 C ATOM 409 CG LEU A 28 -4.008 8.795 1.381 1.00 0.00 C ATOM 410 CD1 LEU A 28 -5.347 8.050 1.442 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.262 10.087 0.589 1.00 0.00 C ATOM 0 H LEU A 28 -1.237 9.553 1.896 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.412 11.144 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.837 8.179 3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.359 8.937 3.495 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.216 8.249 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.722 7.892 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.205 7.086 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.067 8.642 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.614 9.837 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.017 10.685 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.336 10.657 0.516 1.00 0.00 H new ATOM 423 N GLN A 29 -3.243 11.222 5.296 1.00 0.00 N ATOM 424 CA GLN A 29 -3.045 11.499 6.701 1.00 0.00 C ATOM 425 C GLN A 29 -3.387 10.280 7.564 1.00 0.00 C ATOM 426 O GLN A 29 -4.537 10.082 7.941 1.00 0.00 O ATOM 427 CB GLN A 29 -3.798 12.790 7.075 1.00 0.00 C ATOM 428 CG GLN A 29 -5.326 12.630 6.999 1.00 0.00 C ATOM 429 CD GLN A 29 -6.069 13.946 6.771 1.00 0.00 C ATOM 430 OE1 GLN A 29 -5.629 14.798 6.007 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.219 14.120 7.416 1.00 0.00 N ATOM 0 H GLN A 29 -4.023 11.734 4.883 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.991 11.684 6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.518 13.089 8.085 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.487 13.593 6.407 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.571 11.940 6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.682 12.177 7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.565 13.397 8.047 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.755 14.977 7.280 1.00 0.00 H new ATOM 440 N GLY A 30 -2.394 9.438 7.853 1.00 0.00 N ATOM 441 CA GLY A 30 -2.621 8.158 8.512 1.00 0.00 C ATOM 442 C GLY A 30 -1.648 7.076 8.076 1.00 0.00 C ATOM 443 O GLY A 30 -1.496 6.075 8.780 1.00 0.00 O ATOM 0 H GLY A 30 -1.415 9.626 7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.543 8.294 9.591 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.639 7.826 8.305 1.00 0.00 H new ATOM 447 N VAL A 31 -0.981 7.260 6.934 1.00 0.00 N ATOM 448 CA VAL A 31 0.101 6.375 6.553 1.00 0.00 C ATOM 449 C VAL A 31 1.374 6.768 7.305 1.00 0.00 C ATOM 450 O VAL A 31 1.599 7.941 7.591 1.00 0.00 O ATOM 451 CB VAL A 31 0.268 6.418 5.023 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.473 5.613 4.521 1.00 0.00 C ATOM 453 CG2 VAL A 31 -0.996 5.868 4.356 1.00 0.00 C ATOM 0 H VAL A 31 -1.175 8.009 6.269 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.122 5.344 6.828 1.00 0.00 H new ATOM 0 HB VAL A 31 0.438 7.462 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.532 5.686 3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.386 6.012 4.962 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.358 4.568 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.878 5.898 3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.157 4.838 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.854 6.476 4.645 1.00 0.00 H new ATOM 463 N GLN A 32 2.189 5.763 7.638 1.00 0.00 N ATOM 464 CA GLN A 32 3.458 5.892 8.343 1.00 0.00 C ATOM 465 C GLN A 32 4.623 5.674 7.376 1.00 0.00 C ATOM 466 O GLN A 32 5.616 6.400 7.413 1.00 0.00 O ATOM 467 CB GLN A 32 3.504 4.846 9.461 1.00 0.00 C ATOM 468 CG GLN A 32 2.679 5.237 10.684 1.00 0.00 C ATOM 469 CD GLN A 32 3.468 6.076 11.689 1.00 0.00 C ATOM 470 OE1 GLN A 32 3.975 7.138 11.345 1.00 0.00 O ATOM 471 NE2 GLN A 32 3.594 5.625 12.936 1.00 0.00 N ATOM 0 H GLN A 32 1.967 4.794 7.411 1.00 0.00 H new ATOM 0 HA GLN A 32 3.545 6.893 8.766 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.140 3.894 9.074 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.540 4.692 9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.801 5.797 10.360 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.318 4.334 11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.165 4.739 13.204 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.119 6.166 13.623 1.00 0.00 H new ATOM 480 N ARG A 33 4.526 4.640 6.536 1.00 0.00 N ATOM 481 CA ARG A 33 5.570 4.227 5.615 1.00 0.00 C ATOM 482 C ARG A 33 4.898 3.438 4.508 1.00 0.00 C ATOM 483 O ARG A 33 3.723 3.089 4.594 1.00 0.00 O ATOM 484 CB ARG A 33 6.627 3.376 6.343 1.00 0.00 C ATOM 485 CG ARG A 33 8.066 3.837 6.077 1.00 0.00 C ATOM 486 CD ARG A 33 8.357 5.183 6.751 1.00 0.00 C ATOM 487 NE ARG A 33 9.803 5.431 6.854 1.00 0.00 N ATOM 488 CZ ARG A 33 10.346 6.441 7.553 1.00 0.00 C ATOM 489 NH1 ARG A 33 9.553 7.365 8.106 1.00 0.00 N ATOM 490 NH2 ARG A 33 11.675 6.514 7.698 1.00 0.00 N ATOM 0 H ARG A 33 3.692 4.055 6.482 1.00 0.00 H new ATOM 0 HA ARG A 33 6.091 5.091 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.435 3.410 7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.523 2.336 6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.764 3.086 6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.229 3.924 5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.889 5.986 6.181 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.912 5.197 7.746 1.00 0.00 H new ATOM 0 HE ARG A 33 10.433 4.796 6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.541 7.301 7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.960 8.134 8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.274 5.803 7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.089 7.281 8.229 1.00 0.00 H new ATOM 504 N ILE A 34 5.644 3.171 3.450 1.00 0.00 N ATOM 505 CA ILE A 34 5.169 2.462 2.302 1.00 0.00 C ATOM 506 C ILE A 34 6.429 1.921 1.634 1.00 0.00 C ATOM 507 O ILE A 34 7.474 2.577 1.669 1.00 0.00 O ATOM 508 CB ILE A 34 4.303 3.420 1.469 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.821 2.719 0.198 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.004 4.764 1.205 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.595 3.387 -0.420 1.00 0.00 C ATOM 0 H ILE A 34 6.621 3.454 3.376 1.00 0.00 H new ATOM 0 HA ILE A 34 4.511 1.616 2.498 1.00 0.00 H new ATOM 0 HB ILE A 34 3.418 3.682 2.048 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.629 2.707 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.585 1.680 0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.351 5.405 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.227 5.251 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.932 4.590 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.300 2.845 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.774 3.375 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.835 4.418 -0.680 1.00 0.00 H new ATOM 523 N LYS A 35 6.357 0.684 1.152 1.00 0.00 N ATOM 524 CA LYS A 35 7.401 0.003 0.424 1.00 0.00 C ATOM 525 C LYS A 35 6.830 -0.747 -0.784 1.00 0.00 C ATOM 526 O LYS A 35 6.493 -1.929 -0.695 1.00 0.00 O ATOM 527 CB LYS A 35 8.286 -0.835 1.362 1.00 0.00 C ATOM 528 CG LYS A 35 9.460 -0.047 1.963 1.00 0.00 C ATOM 529 CD LYS A 35 10.473 0.378 0.889 1.00 0.00 C ATOM 530 CE LYS A 35 11.676 1.123 1.483 1.00 0.00 C ATOM 531 NZ LYS A 35 11.641 2.557 1.122 1.00 0.00 N ATOM 0 H LYS A 35 5.523 0.108 1.269 1.00 0.00 H new ATOM 0 HA LYS A 35 8.082 0.739 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.672 -1.230 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.677 -1.691 0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.080 0.838 2.474 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.961 -0.658 2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.823 -0.505 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.977 1.017 0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.675 1.017 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.601 0.675 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.465 3.039 1.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.666 2.655 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.768 2.986 1.490 1.00 0.00 H new ATOM 545 N VAL A 36 6.707 -0.050 -1.914 1.00 0.00 N ATOM 546 CA VAL A 36 6.130 -0.597 -3.132 1.00 0.00 C ATOM 547 C VAL A 36 7.239 -1.198 -3.992 1.00 0.00 C ATOM 548 O VAL A 36 7.920 -0.487 -4.731 1.00 0.00 O ATOM 549 CB VAL A 36 5.259 0.459 -3.829 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.697 -0.057 -5.160 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.071 0.812 -2.920 1.00 0.00 C ATOM 0 H VAL A 36 7.010 0.920 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 36 5.448 -1.418 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 36 5.886 1.329 -4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.087 0.719 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.520 -0.316 -5.826 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.085 -0.940 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.449 1.561 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.479 -0.084 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.441 1.209 -1.975 1.00 0.00 H new ATOM 561 N SER A 37 7.424 -2.518 -3.892 1.00 0.00 N ATOM 562 CA SER A 37 8.381 -3.229 -4.711 1.00 0.00 C ATOM 563 C SER A 37 7.816 -3.379 -6.121 1.00 0.00 C ATOM 564 O SER A 37 6.624 -3.180 -6.350 1.00 0.00 O ATOM 565 CB SER A 37 8.717 -4.581 -4.089 1.00 0.00 C ATOM 566 OG SER A 37 9.048 -4.431 -2.721 1.00 0.00 O ATOM 0 H SER A 37 6.911 -3.112 -3.240 1.00 0.00 H new ATOM 0 HA SER A 37 9.311 -2.664 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.867 -5.256 -4.191 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.551 -5.036 -4.623 1.00 0.00 H new ATOM 0 HG SER A 37 9.259 -5.308 -2.337 1.00 0.00 H new ATOM 572 N LEU A 38 8.684 -3.738 -7.062 1.00 0.00 N ATOM 573 CA LEU A 38 8.364 -3.798 -8.477 1.00 0.00 C ATOM 574 C LEU A 38 8.838 -5.127 -9.053 1.00 0.00 C ATOM 575 O LEU A 38 8.083 -5.819 -9.739 1.00 0.00 O ATOM 576 CB LEU A 38 8.920 -2.568 -9.212 1.00 0.00 C ATOM 577 CG LEU A 38 10.318 -2.054 -8.837 1.00 0.00 C ATOM 578 CD1 LEU A 38 10.749 -1.037 -9.903 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.363 -1.373 -7.460 1.00 0.00 C ATOM 0 H LEU A 38 9.648 -4.000 -6.854 1.00 0.00 H new ATOM 0 HA LEU A 38 7.284 -3.761 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.926 -2.795 -10.278 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.216 -1.749 -9.065 1.00 0.00 H new ATOM 0 HG LEU A 38 10.987 -2.913 -8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.741 -0.655 -9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.775 -1.522 -10.879 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.038 -0.211 -9.927 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.378 -1.033 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.686 -0.519 -7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.057 -2.084 -6.692 1.00 0.00 H new ATOM 591 N ASP A 39 10.073 -5.510 -8.716 1.00 0.00 N ATOM 592 CA ASP A 39 10.688 -6.770 -9.095 1.00 0.00 C ATOM 593 C ASP A 39 9.803 -7.919 -8.646 1.00 0.00 C ATOM 594 O ASP A 39 9.368 -8.750 -9.437 1.00 0.00 O ATOM 595 CB ASP A 39 12.065 -6.924 -8.416 1.00 0.00 C ATOM 596 CG ASP A 39 12.880 -5.640 -8.387 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.383 -4.700 -7.723 1.00 0.00 O ATOM 598 OD2 ASP A 39 13.958 -5.620 -9.016 1.00 0.00 O ATOM 0 H ASP A 39 10.688 -4.924 -8.151 1.00 0.00 H new ATOM 0 HA ASP A 39 10.812 -6.782 -10.178 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.919 -7.274 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.634 -7.693 -8.939 1.00 0.00 H new ATOM 603 N ASN A 40 9.539 -7.941 -7.337 1.00 0.00 N ATOM 604 CA ASN A 40 8.806 -9.014 -6.691 1.00 0.00 C ATOM 605 C ASN A 40 7.293 -8.748 -6.724 1.00 0.00 C ATOM 606 O ASN A 40 6.540 -9.384 -5.993 1.00 0.00 O ATOM 607 CB ASN A 40 9.334 -9.209 -5.271 1.00 0.00 C ATOM 608 CG ASN A 40 9.129 -10.621 -4.718 1.00 0.00 C ATOM 609 OD1 ASN A 40 8.514 -11.482 -5.336 1.00 0.00 O ATOM 610 ND2 ASN A 40 9.700 -10.889 -3.547 1.00 0.00 N ATOM 0 H ASN A 40 9.834 -7.204 -6.697 1.00 0.00 H new ATOM 0 HA ASN A 40 8.964 -9.943 -7.239 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.398 -8.975 -5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.841 -8.496 -4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.630 -11.825 -3.148 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.208 -10.158 -3.048 1.00 0.00 H new ATOM 617 N GLN A 41 6.865 -7.767 -7.535 1.00 0.00 N ATOM 618 CA GLN A 41 5.494 -7.317 -7.730 1.00 0.00 C ATOM 619 C GLN A 41 4.651 -7.362 -6.440 1.00 0.00 C ATOM 620 O GLN A 41 3.603 -8.006 -6.356 1.00 0.00 O ATOM 621 CB GLN A 41 4.888 -8.084 -8.928 1.00 0.00 C ATOM 622 CG GLN A 41 4.447 -7.143 -10.051 1.00 0.00 C ATOM 623 CD GLN A 41 4.034 -7.921 -11.301 1.00 0.00 C ATOM 624 OE1 GLN A 41 3.374 -8.951 -11.224 1.00 0.00 O ATOM 625 NE2 GLN A 41 4.411 -7.446 -12.483 1.00 0.00 N ATOM 0 H GLN A 41 7.521 -7.236 -8.108 1.00 0.00 H new ATOM 0 HA GLN A 41 5.490 -6.256 -7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.623 -8.790 -9.315 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.033 -8.668 -8.589 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.612 -6.532 -9.709 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.261 -6.461 -10.297 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.960 -6.588 -12.536 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.151 -7.939 -13.337 1.00 0.00 H new ATOM 634 N GLU A 42 5.111 -6.640 -5.413 1.00 0.00 N ATOM 635 CA GLU A 42 4.479 -6.639 -4.102 1.00 0.00 C ATOM 636 C GLU A 42 4.552 -5.235 -3.519 1.00 0.00 C ATOM 637 O GLU A 42 5.557 -4.544 -3.677 1.00 0.00 O ATOM 638 CB GLU A 42 5.121 -7.692 -3.186 1.00 0.00 C ATOM 639 CG GLU A 42 4.350 -7.807 -1.861 1.00 0.00 C ATOM 640 CD GLU A 42 4.685 -9.077 -1.093 1.00 0.00 C ATOM 641 OE1 GLU A 42 4.037 -10.106 -1.377 1.00 0.00 O ATOM 642 OE2 GLU A 42 5.541 -8.988 -0.185 1.00 0.00 O ATOM 0 H GLU A 42 5.934 -6.041 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 42 3.428 -6.915 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.134 -8.659 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.158 -7.423 -2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.575 -6.941 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.280 -7.783 -2.065 1.00 0.00 H new ATOM 649 N ALA A 43 3.472 -4.812 -2.868 1.00 0.00 N ATOM 650 CA ALA A 43 3.300 -3.484 -2.330 1.00 0.00 C ATOM 651 C ALA A 43 3.048 -3.564 -0.826 1.00 0.00 C ATOM 652 O ALA A 43 2.022 -4.074 -0.377 1.00 0.00 O ATOM 653 CB ALA A 43 2.215 -2.746 -3.122 1.00 0.00 C ATOM 0 H ALA A 43 2.667 -5.415 -2.699 1.00 0.00 H new ATOM 0 HA ALA A 43 4.208 -2.892 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.086 -1.743 -2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.512 -2.677 -4.169 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.275 -3.292 -3.047 1.00 0.00 H new ATOM 659 N THR A 44 4.016 -3.064 -0.056 1.00 0.00 N ATOM 660 CA THR A 44 3.928 -2.870 1.378 1.00 0.00 C ATOM 661 C THR A 44 3.334 -1.499 1.626 1.00 0.00 C ATOM 662 O THR A 44 3.873 -0.522 1.122 1.00 0.00 O ATOM 663 CB THR A 44 5.343 -2.894 1.973 1.00 0.00 C ATOM 664 OG1 THR A 44 6.006 -4.071 1.564 1.00 0.00 O ATOM 665 CG2 THR A 44 5.305 -2.832 3.504 1.00 0.00 C ATOM 0 H THR A 44 4.916 -2.774 -0.438 1.00 0.00 H new ATOM 0 HA THR A 44 3.318 -3.651 1.831 1.00 0.00 H new ATOM 0 HB THR A 44 5.880 -2.018 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.910 -4.086 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.323 -2.851 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.813 -1.912 3.819 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.753 -3.689 3.889 1.00 0.00 H new ATOM 673 N ILE A 45 2.267 -1.404 2.407 1.00 0.00 N ATOM 674 CA ILE A 45 1.744 -0.145 2.890 1.00 0.00 C ATOM 675 C ILE A 45 1.757 -0.234 4.415 1.00 0.00 C ATOM 676 O ILE A 45 1.276 -1.220 4.967 1.00 0.00 O ATOM 677 CB ILE A 45 0.345 0.071 2.306 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.378 0.277 0.780 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.268 1.322 2.934 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.561 -0.982 -0.066 1.00 0.00 C ATOM 0 H ILE A 45 1.736 -2.215 2.725 1.00 0.00 H new ATOM 0 HA ILE A 45 2.338 0.715 2.581 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.242 -0.821 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.552 0.760 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.187 0.969 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.265 1.484 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.337 1.191 4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.360 2.185 2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.569 -0.713 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.505 -1.461 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.260 -1.672 0.126 1.00 0.00 H new ATOM 692 N VAL A 46 2.348 0.753 5.091 1.00 0.00 N ATOM 693 CA VAL A 46 2.465 0.768 6.545 1.00 0.00 C ATOM 694 C VAL A 46 1.629 1.924 7.076 1.00 0.00 C ATOM 695 O VAL A 46 1.977 3.084 6.843 1.00 0.00 O ATOM 696 CB VAL A 46 3.937 0.892 6.975 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.066 0.515 8.454 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.842 0.002 6.118 1.00 0.00 C ATOM 0 H VAL A 46 2.761 1.569 4.639 1.00 0.00 H new ATOM 0 HA VAL A 46 2.095 -0.169 6.961 1.00 0.00 H new ATOM 0 HB VAL A 46 4.257 1.924 6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.108 0.602 8.762 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.453 1.186 9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.729 -0.512 8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.876 0.111 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.536 -1.039 6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.760 0.299 5.072 1.00 0.00 H new ATOM 708 N TYR A 47 0.518 1.628 7.757 1.00 0.00 N ATOM 709 CA TYR A 47 -0.467 2.645 8.097 1.00 0.00 C ATOM 710 C TYR A 47 -1.001 2.473 9.509 1.00 0.00 C ATOM 711 O TYR A 47 -0.773 1.446 10.150 1.00 0.00 O ATOM 712 CB TYR A 47 -1.606 2.641 7.066 1.00 0.00 C ATOM 713 CG TYR A 47 -2.650 1.556 7.281 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.422 0.242 6.828 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.808 1.838 8.032 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.324 -0.784 7.166 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.725 0.819 8.327 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.458 -0.499 7.943 1.00 0.00 C ATOM 719 OH TYR A 47 -5.286 -1.499 8.356 1.00 0.00 O ATOM 0 H TYR A 47 0.283 0.690 8.082 1.00 0.00 H new ATOM 0 HA TYR A 47 0.029 3.615 8.068 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.101 3.612 7.087 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.177 2.523 6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.556 0.022 6.222 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.990 2.843 8.382 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.143 -1.793 6.827 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.640 1.053 8.852 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.019 -1.120 8.885 1.00 0.00 H new ATOM 729 N GLN A 48 -1.706 3.501 9.984 1.00 0.00 N ATOM 730 CA GLN A 48 -2.204 3.580 11.340 1.00 0.00 C ATOM 731 C GLN A 48 -3.712 3.281 11.392 1.00 0.00 C ATOM 732 O GLN A 48 -4.504 4.116 10.939 1.00 0.00 O ATOM 733 CB GLN A 48 -1.836 4.959 11.892 1.00 0.00 C ATOM 734 CG GLN A 48 -1.992 4.933 13.426 1.00 0.00 C ATOM 735 CD GLN A 48 -1.231 6.046 14.138 1.00 0.00 C ATOM 736 OE1 GLN A 48 -1.827 6.920 14.755 1.00 0.00 O ATOM 737 NE2 GLN A 48 0.098 5.999 14.103 1.00 0.00 N ATOM 0 H GLN A 48 -1.947 4.314 9.417 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.743 2.821 11.972 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.812 5.214 11.620 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.481 5.724 11.459 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.050 5.011 13.676 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.645 3.970 13.801 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.569 5.260 13.581 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.646 6.702 14.598 1.00 0.00 H new ATOM 746 N PRO A 49 -4.126 2.117 11.938 1.00 0.00 N ATOM 747 CA PRO A 49 -5.511 1.658 11.930 1.00 0.00 C ATOM 748 C PRO A 49 -6.359 2.482 12.902 1.00 0.00 C ATOM 749 O PRO A 49 -6.686 2.033 13.996 1.00 0.00 O ATOM 750 CB PRO A 49 -5.456 0.175 12.307 1.00 0.00 C ATOM 751 CG PRO A 49 -4.250 0.121 13.237 1.00 0.00 C ATOM 752 CD PRO A 49 -3.289 1.118 12.589 1.00 0.00 C ATOM 0 HA PRO A 49 -5.984 1.785 10.956 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.369 -0.152 12.805 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.324 -0.462 11.433 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.509 0.410 14.255 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.822 -0.880 13.289 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.642 1.578 13.336 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.640 0.622 11.867 1.00 0.00 H new ATOM 760 N HIS A 50 -6.701 3.695 12.474 1.00 0.00 N ATOM 761 CA HIS A 50 -7.514 4.679 13.176 1.00 0.00 C ATOM 762 C HIS A 50 -7.648 5.905 12.274 1.00 0.00 C ATOM 763 O HIS A 50 -8.731 6.471 12.164 1.00 0.00 O ATOM 764 CB HIS A 50 -6.894 5.082 14.531 1.00 0.00 C ATOM 765 CG HIS A 50 -7.445 4.419 15.779 1.00 0.00 C ATOM 766 ND1 HIS A 50 -7.076 4.751 17.064 1.00 0.00 N ATOM 767 CD2 HIS A 50 -8.444 3.482 15.876 1.00 0.00 C ATOM 768 CE1 HIS A 50 -7.828 4.025 17.909 1.00 0.00 C ATOM 769 NE2 HIS A 50 -8.677 3.238 17.234 1.00 0.00 N ATOM 0 H HIS A 50 -6.395 4.038 11.564 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.490 4.245 13.394 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.824 4.877 14.486 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.007 6.160 14.645 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -8.959 3.015 15.049 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.758 4.070 18.986 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -9.357 2.590 17.631 1.00 0.00 H new ATOM 777 N LEU A 51 -6.546 6.325 11.641 1.00 0.00 N ATOM 778 CA LEU A 51 -6.558 7.513 10.802 1.00 0.00 C ATOM 779 C LEU A 51 -7.050 7.171 9.394 1.00 0.00 C ATOM 780 O LEU A 51 -7.912 7.863 8.860 1.00 0.00 O ATOM 781 CB LEU A 51 -5.185 8.178 10.772 1.00 0.00 C ATOM 782 CG LEU A 51 -4.807 8.910 12.075 1.00 0.00 C ATOM 783 CD1 LEU A 51 -4.316 7.960 13.170 1.00 0.00 C ATOM 784 CD2 LEU A 51 -3.706 9.942 11.804 1.00 0.00 C ATOM 0 H LEU A 51 -5.642 5.857 11.698 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.255 8.231 11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.431 7.419 10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.157 8.890 9.947 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.718 9.395 12.427 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.065 8.533 14.063 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.101 7.242 13.408 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.432 7.427 12.820 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.449 10.452 12.732 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.824 9.438 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.062 10.671 11.076 1.00 0.00 H new ATOM 796 N ILE A 52 -6.481 6.121 8.793 1.00 0.00 N ATOM 797 CA ILE A 52 -6.748 5.673 7.439 1.00 0.00 C ATOM 798 C ILE A 52 -6.955 4.153 7.468 1.00 0.00 C ATOM 799 O ILE A 52 -6.568 3.510 8.445 1.00 0.00 O ATOM 800 CB ILE A 52 -5.552 6.114 6.567 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.009 6.881 5.335 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.564 5.004 6.202 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.133 8.377 5.631 1.00 0.00 C ATOM 0 H ILE A 52 -5.791 5.539 9.267 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.652 6.108 7.014 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.983 6.786 7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.299 6.726 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.970 6.493 4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.763 5.417 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.142 4.579 7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.082 4.225 5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.461 8.900 4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.861 8.531 6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.165 8.767 5.945 1.00 0.00 H new ATOM 815 N SER A 53 -7.559 3.579 6.423 1.00 0.00 N ATOM 816 CA SER A 53 -7.931 2.169 6.365 1.00 0.00 C ATOM 817 C SER A 53 -7.337 1.470 5.140 1.00 0.00 C ATOM 818 O SER A 53 -6.971 2.114 4.155 1.00 0.00 O ATOM 819 CB SER A 53 -9.460 2.067 6.320 1.00 0.00 C ATOM 820 OG SER A 53 -9.937 2.573 5.090 1.00 0.00 O ATOM 0 H SER A 53 -7.806 4.095 5.579 1.00 0.00 H new ATOM 0 HA SER A 53 -7.534 1.673 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.768 1.028 6.441 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.896 2.627 7.148 1.00 0.00 H new ATOM 0 HG SER A 53 -9.606 3.486 4.962 1.00 0.00 H new ATOM 826 N VAL A 54 -7.320 0.131 5.171 1.00 0.00 N ATOM 827 CA VAL A 54 -7.023 -0.696 4.004 1.00 0.00 C ATOM 828 C VAL A 54 -7.823 -0.237 2.788 1.00 0.00 C ATOM 829 O VAL A 54 -7.298 -0.234 1.679 1.00 0.00 O ATOM 830 CB VAL A 54 -7.315 -2.178 4.296 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.284 -3.030 3.018 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.289 -2.749 5.277 1.00 0.00 C ATOM 0 H VAL A 54 -7.514 -0.408 6.015 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.962 -0.584 3.782 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.315 -2.218 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.495 -4.070 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.037 -2.665 2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.298 -2.961 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.514 -3.798 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.290 -2.665 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.331 -2.191 6.213 1.00 0.00 H new ATOM 842 N GLU A 55 -9.099 0.102 2.971 1.00 0.00 N ATOM 843 CA GLU A 55 -9.938 0.462 1.846 1.00 0.00 C ATOM 844 C GLU A 55 -9.443 1.760 1.213 1.00 0.00 C ATOM 845 O GLU A 55 -9.336 1.824 0.001 1.00 0.00 O ATOM 846 CB GLU A 55 -11.402 0.518 2.266 1.00 0.00 C ATOM 847 CG GLU A 55 -12.363 0.632 1.080 1.00 0.00 C ATOM 848 CD GLU A 55 -13.326 -0.546 0.997 1.00 0.00 C ATOM 849 OE1 GLU A 55 -14.145 -0.671 1.931 1.00 0.00 O ATOM 850 OE2 GLU A 55 -13.209 -1.304 0.009 1.00 0.00 O ATOM 0 H GLU A 55 -9.563 0.133 3.879 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.869 -0.308 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.644 -0.378 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.551 1.370 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.932 1.558 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.789 0.694 0.155 1.00 0.00 H new ATOM 857 N GLU A 56 -9.078 2.782 1.989 1.00 0.00 N ATOM 858 CA GLU A 56 -8.439 3.969 1.461 1.00 0.00 C ATOM 859 C GLU A 56 -7.223 3.556 0.641 1.00 0.00 C ATOM 860 O GLU A 56 -7.101 3.982 -0.505 1.00 0.00 O ATOM 861 CB GLU A 56 -8.055 4.919 2.606 1.00 0.00 C ATOM 862 CG GLU A 56 -9.123 5.973 2.919 1.00 0.00 C ATOM 863 CD GLU A 56 -9.846 5.791 4.247 1.00 0.00 C ATOM 864 OE1 GLU A 56 -9.270 5.128 5.137 1.00 0.00 O ATOM 865 OE2 GLU A 56 -10.976 6.309 4.347 1.00 0.00 O ATOM 0 H GLU A 56 -9.221 2.802 2.999 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.129 4.507 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.863 4.332 3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.123 5.424 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.653 6.956 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.862 5.967 2.118 1.00 0.00 H new ATOM 872 N MET A 57 -6.337 2.729 1.206 1.00 0.00 N ATOM 873 CA MET A 57 -5.211 2.207 0.466 1.00 0.00 C ATOM 874 C MET A 57 -5.644 1.574 -0.872 1.00 0.00 C ATOM 875 O MET A 57 -5.328 2.108 -1.931 1.00 0.00 O ATOM 876 CB MET A 57 -4.382 1.298 1.354 1.00 0.00 C ATOM 877 CG MET A 57 -3.947 1.925 2.685 1.00 0.00 C ATOM 878 SD MET A 57 -2.958 3.443 2.727 1.00 0.00 S ATOM 879 CE MET A 57 -4.176 4.758 2.532 1.00 0.00 C ATOM 0 H MET A 57 -6.388 2.414 2.175 1.00 0.00 H new ATOM 0 HA MET A 57 -4.559 3.030 0.174 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.956 0.395 1.564 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.492 0.990 0.805 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.854 2.120 3.257 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.386 1.164 3.227 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.814 5.664 3.017 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.334 4.953 1.471 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.117 4.453 2.989 1.00 0.00 H new ATOM 889 N LYS A 58 -6.377 0.455 -0.855 1.00 0.00 N ATOM 890 CA LYS A 58 -6.817 -0.228 -2.068 1.00 0.00 C ATOM 891 C LYS A 58 -7.586 0.677 -3.007 1.00 0.00 C ATOM 892 O LYS A 58 -7.226 0.769 -4.167 1.00 0.00 O ATOM 893 CB LYS A 58 -7.560 -1.529 -1.754 1.00 0.00 C ATOM 894 CG LYS A 58 -8.659 -1.933 -2.750 1.00 0.00 C ATOM 895 CD LYS A 58 -9.255 -3.308 -2.387 1.00 0.00 C ATOM 896 CE LYS A 58 -8.660 -4.445 -3.237 1.00 0.00 C ATOM 897 NZ LYS A 58 -9.465 -4.695 -4.450 1.00 0.00 N ATOM 0 H LYS A 58 -6.681 -0.001 0.006 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.914 -0.509 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.831 -2.337 -1.700 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.009 -1.439 -0.765 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.447 -1.180 -2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.247 -1.966 -3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.074 -3.513 -1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.336 -3.281 -2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.639 -4.191 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.606 -5.356 -2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.843 -5.013 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.173 -5.430 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.947 -3.818 -4.734 1.00 0.00 H new ATOM 911 N LYS A 59 -8.655 1.305 -2.542 1.00 0.00 N ATOM 912 CA LYS A 59 -9.495 2.160 -3.357 1.00 0.00 C ATOM 913 C LYS A 59 -8.616 3.149 -4.105 1.00 0.00 C ATOM 914 O LYS A 59 -8.722 3.261 -5.322 1.00 0.00 O ATOM 915 CB LYS A 59 -10.538 2.839 -2.472 1.00 0.00 C ATOM 916 CG LYS A 59 -11.781 3.351 -3.210 1.00 0.00 C ATOM 917 CD LYS A 59 -11.616 4.807 -3.651 1.00 0.00 C ATOM 918 CE LYS A 59 -12.936 5.321 -4.239 1.00 0.00 C ATOM 919 NZ LYS A 59 -12.880 6.769 -4.514 1.00 0.00 N ATOM 0 H LYS A 59 -8.965 1.232 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.040 1.580 -4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.855 2.134 -1.704 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.067 3.678 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.970 2.725 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.652 3.264 -2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.321 5.423 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.821 4.885 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.158 4.783 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.750 5.113 -3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.789 7.082 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.692 7.283 -3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.119 6.964 -5.196 1.00 0.00 H new ATOM 933 N GLN A 60 -7.706 3.821 -3.395 1.00 0.00 N ATOM 934 CA GLN A 60 -6.796 4.726 -4.099 1.00 0.00 C ATOM 935 C GLN A 60 -5.851 3.987 -5.059 1.00 0.00 C ATOM 936 O GLN A 60 -5.599 4.471 -6.160 1.00 0.00 O ATOM 937 CB GLN A 60 -6.013 5.574 -3.102 1.00 0.00 C ATOM 938 CG GLN A 60 -6.770 6.843 -2.675 1.00 0.00 C ATOM 939 CD GLN A 60 -8.239 6.643 -2.296 1.00 0.00 C ATOM 940 OE1 GLN A 60 -9.138 6.842 -3.112 1.00 0.00 O ATOM 941 NE2 GLN A 60 -8.509 6.300 -1.043 1.00 0.00 N ATOM 0 H GLN A 60 -7.582 3.762 -2.384 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.409 5.383 -4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.790 4.975 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.058 5.858 -3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.251 7.284 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.719 7.566 -3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -7.748 6.140 -0.383 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.477 6.197 -0.740 1.00 0.00 H new ATOM 950 N ILE A 61 -5.300 2.843 -4.655 1.00 0.00 N ATOM 951 CA ILE A 61 -4.384 2.069 -5.489 1.00 0.00 C ATOM 952 C ILE A 61 -5.110 1.530 -6.720 1.00 0.00 C ATOM 953 O ILE A 61 -4.805 1.938 -7.839 1.00 0.00 O ATOM 954 CB ILE A 61 -3.690 0.981 -4.659 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.731 1.722 -3.716 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.960 -0.016 -5.575 1.00 0.00 C ATOM 957 CD1 ILE A 61 -1.977 0.807 -2.761 1.00 0.00 C ATOM 0 H ILE A 61 -5.477 2.428 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.591 2.718 -5.862 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.400 0.385 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.011 2.282 -4.312 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.298 2.450 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.474 -0.780 -4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.679 -0.488 -6.245 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.209 0.512 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.320 1.404 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.689 0.266 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.381 0.095 -3.333 1.00 0.00 H new ATOM 969 N GLU A 62 -6.072 0.626 -6.535 1.00 0.00 N ATOM 970 CA GLU A 62 -6.894 0.126 -7.610 1.00 0.00 C ATOM 971 C GLU A 62 -7.484 1.251 -8.468 1.00 0.00 C ATOM 972 O GLU A 62 -7.581 1.072 -9.680 1.00 0.00 O ATOM 973 CB GLU A 62 -7.971 -0.778 -7.002 1.00 0.00 C ATOM 974 CG GLU A 62 -7.827 -2.200 -7.536 1.00 0.00 C ATOM 975 CD GLU A 62 -8.712 -3.180 -6.788 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.667 -2.729 -6.116 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.370 -4.385 -6.746 1.00 0.00 O ATOM 0 H GLU A 62 -6.296 0.224 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.281 -0.454 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.885 -0.779 -5.915 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.961 -0.390 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.082 -2.217 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.787 -2.515 -7.453 1.00 0.00 H new ATOM 984 N ALA A 63 -7.835 2.417 -7.897 1.00 0.00 N ATOM 985 CA ALA A 63 -8.321 3.530 -8.718 1.00 0.00 C ATOM 986 C ALA A 63 -7.339 3.915 -9.830 1.00 0.00 C ATOM 987 O ALA A 63 -7.773 4.348 -10.894 1.00 0.00 O ATOM 988 CB ALA A 63 -8.632 4.754 -7.863 1.00 0.00 C ATOM 0 H ALA A 63 -7.792 2.607 -6.896 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.238 3.178 -9.190 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.990 5.562 -8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.400 4.501 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.729 5.075 -7.344 1.00 0.00 H new ATOM 994 N MET A 64 -6.029 3.776 -9.600 1.00 0.00 N ATOM 995 CA MET A 64 -5.040 3.989 -10.640 1.00 0.00 C ATOM 996 C MET A 64 -5.281 3.041 -11.819 1.00 0.00 C ATOM 997 O MET A 64 -5.150 3.440 -12.975 1.00 0.00 O ATOM 998 CB MET A 64 -3.639 3.761 -10.079 1.00 0.00 C ATOM 999 CG MET A 64 -3.254 4.648 -8.893 1.00 0.00 C ATOM 1000 SD MET A 64 -3.533 6.424 -9.100 1.00 0.00 S ATOM 1001 CE MET A 64 -2.735 7.036 -7.601 1.00 0.00 C ATOM 0 H MET A 64 -5.636 3.515 -8.695 1.00 0.00 H new ATOM 0 HA MET A 64 -5.129 5.016 -10.993 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.554 2.718 -9.774 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.916 3.919 -10.879 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.813 4.313 -8.019 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.198 4.490 -8.676 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.813 8.123 -7.565 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.226 6.608 -6.727 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.684 6.748 -7.605 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.601 1.779 -11.516 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.871 0.735 -12.496 1.00 0.00 C ATOM 1013 C GLY A 65 -5.186 -0.572 -12.102 1.00 0.00 C ATOM 1014 O GLY A 65 -5.549 -1.639 -12.591 1.00 0.00 O ATOM 0 H GLY A 65 -5.680 1.451 -10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.946 0.577 -12.578 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.520 1.053 -13.478 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.178 -0.491 -11.232 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.344 -1.619 -10.859 1.00 0.00 C ATOM 1020 C PHE A 66 -4.109 -2.542 -9.905 1.00 0.00 C ATOM 1021 O PHE A 66 -4.408 -2.113 -8.791 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.098 -1.065 -10.166 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.367 0.000 -10.960 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.840 -0.283 -12.233 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.264 1.300 -10.437 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.235 0.740 -12.984 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.636 2.315 -11.173 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.152 2.042 -12.461 1.00 0.00 C ATOM 0 H PHE A 66 -3.920 0.377 -10.763 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.065 -2.197 -11.740 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.387 -0.648 -9.201 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.412 -1.888 -9.965 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.900 -1.284 -12.633 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.671 1.519 -9.461 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.166 0.525 -13.963 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.525 3.303 -10.750 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.285 2.833 -13.052 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.426 -3.790 -10.284 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.102 -4.708 -9.384 1.00 0.00 C ATOM 1040 C PRO A 67 -4.153 -5.071 -8.238 1.00 0.00 C ATOM 1041 O PRO A 67 -2.939 -5.160 -8.443 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.473 -5.918 -10.241 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.368 -5.936 -11.295 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.065 -4.455 -11.527 1.00 0.00 C ATOM 0 HA PRO A 67 -5.997 -4.287 -8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.490 -6.838 -9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.460 -5.808 -10.691 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.488 -6.475 -10.944 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.697 -6.426 -12.212 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.012 -4.301 -11.764 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.641 -4.062 -12.365 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.699 -5.257 -7.029 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.903 -5.550 -5.849 1.00 0.00 C ATOM 1054 C ALA A 68 -4.611 -6.526 -4.912 1.00 0.00 C ATOM 1055 O ALA A 68 -5.791 -6.364 -4.601 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.563 -4.264 -5.103 1.00 0.00 C ATOM 0 H ALA A 68 -5.702 -5.207 -6.851 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.982 -6.024 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.967 -4.501 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.996 -3.603 -5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.483 -3.768 -4.795 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.857 -7.513 -4.430 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.302 -8.562 -3.528 1.00 0.00 C ATOM 1064 C PHE A 69 -3.711 -8.327 -2.146 1.00 0.00 C ATOM 1065 O PHE A 69 -2.754 -9.000 -1.759 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.909 -9.927 -4.081 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.799 -10.458 -5.182 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -5.904 -11.267 -4.854 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.501 -10.192 -6.531 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.684 -11.838 -5.873 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -5.280 -10.765 -7.549 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.367 -11.595 -7.221 1.00 0.00 C ATOM 0 H PHE A 69 -2.870 -7.603 -4.673 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.388 -8.540 -3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.888 -9.868 -4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.905 -10.645 -3.261 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.152 -11.448 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.673 -9.547 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.527 -12.464 -5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.044 -10.568 -8.584 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.958 -12.046 -8.005 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.319 -7.383 -1.424 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.169 -7.165 0.011 1.00 0.00 C ATOM 1084 C VAL A 70 -4.509 -8.442 0.781 1.00 0.00 C ATOM 1085 O VAL A 70 -5.674 -8.827 0.839 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.986 -5.945 0.467 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.340 -5.814 -0.220 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -5.155 -5.931 1.986 1.00 0.00 C ATOM 0 H VAL A 70 -4.963 -6.716 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.128 -6.933 0.234 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.404 -5.076 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.855 -4.930 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.194 -5.719 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.941 -6.699 -0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.737 -5.057 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.674 -6.836 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.175 -5.890 2.461 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.506 -9.103 1.372 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.732 -10.268 2.215 1.00 0.00 C ATOM 1100 C LYS A 71 -2.602 -10.506 3.228 1.00 0.00 C ATOM 1101 O LYS A 71 -2.036 -11.601 3.321 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.044 -11.478 1.341 1.00 0.00 C ATOM 1103 CG LYS A 71 -2.903 -11.766 0.382 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.302 -12.898 -0.575 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.085 -13.585 -1.205 1.00 0.00 C ATOM 1106 NZ LYS A 71 -1.217 -12.643 -1.941 1.00 0.00 N ATOM 0 H LYS A 71 -2.524 -8.842 1.276 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.604 -10.080 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.223 -12.349 1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.960 -11.298 0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.657 -10.868 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.009 -12.047 0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.893 -13.637 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.938 -12.496 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.503 -14.074 -0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.425 -14.366 -1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.467 -13.172 -2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.785 -12.121 -2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.787 -11.972 -1.272 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.298 -9.500 4.045 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.292 -9.594 5.091 1.00 0.00 C ATOM 1122 C LYS A 72 -1.618 -8.541 6.136 1.00 0.00 C ATOM 1123 O LYS A 72 -1.954 -7.422 5.764 1.00 0.00 O ATOM 1124 CB LYS A 72 0.097 -9.310 4.502 1.00 0.00 C ATOM 1125 CG LYS A 72 1.145 -10.403 4.744 1.00 0.00 C ATOM 1126 CD LYS A 72 1.220 -11.443 3.612 1.00 0.00 C ATOM 1127 CE LYS A 72 1.046 -12.878 4.119 1.00 0.00 C ATOM 1128 NZ LYS A 72 -0.272 -13.074 4.751 1.00 0.00 N ATOM 0 H LYS A 72 -2.751 -8.587 3.996 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.290 -10.592 5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.006 -9.159 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.467 -8.375 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.123 -9.937 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.917 -10.913 5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.449 -11.227 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.181 -11.354 3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.159 -13.574 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.833 -13.109 4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.559 -14.069 4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.214 -12.827 5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.974 -12.464 4.285 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.506 -8.897 7.414 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.595 -7.972 8.528 1.00 0.00 C ATOM 1144 C ILE A 73 -0.421 -8.341 9.438 1.00 0.00 C ATOM 1145 O ILE A 73 -0.587 -9.082 10.404 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.987 -8.068 9.198 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -4.096 -7.536 8.263 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.045 -7.244 10.494 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -4.785 -8.625 7.432 1.00 0.00 C ATOM 0 H ILE A 73 -1.347 -9.862 7.704 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.516 -6.924 8.239 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.148 -9.124 9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.847 -7.021 8.863 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.665 -6.797 7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.036 -7.334 10.938 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.298 -7.616 11.195 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.842 -6.197 10.269 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.550 -8.172 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.047 -9.125 6.804 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.248 -9.353 8.098 1.00 0.00 H new