USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 621 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 Single : A 1 MET CE :methyl 163:sc= -0.195 (180deg=-0.762) USER MOD Single : A 1 MET N :NH3+ 149:sc= 0.00161 (180deg=-1.47) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.632 K(o=-0.63,f=-2.5) USER MOD Single : A 7 TYR OH : rot -111:sc= -1.3 USER MOD Single : A 9 THR OG1 : rot 122:sc= 1.24 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0639 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot -19:sc= -0.387 USER MOD Single : A 15 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -8.27! C(o=-8.3!,f=-21!) USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -0.145 (180deg=-0.809) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -1.31 K(o=-1.3,f=-8.3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -172:sc= 0 (180deg=-0.0383) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -133:sc= 0.735 (180deg=0.00339) USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= 0.288 (180deg=-0.133) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.011 -10.872 -8.290 1.00 0.00 N ATOM 2 CA MET A 1 4.584 -9.504 -8.399 1.00 0.00 C ATOM 3 C MET A 1 3.491 -8.442 -8.362 1.00 0.00 C ATOM 4 O MET A 1 3.189 -7.819 -9.380 1.00 0.00 O ATOM 5 CB MET A 1 5.370 -9.406 -9.708 1.00 0.00 C ATOM 6 CG MET A 1 6.563 -8.467 -9.633 1.00 0.00 C ATOM 7 SD MET A 1 7.548 -8.474 -11.143 1.00 0.00 S ATOM 8 CE MET A 1 6.298 -8.086 -12.366 1.00 0.00 C ATOM 0 H1 MET A 1 4.610 -11.542 -8.813 1.00 0.00 H new ATOM 0 H2 MET A 1 3.970 -11.153 -7.289 1.00 0.00 H new ATOM 0 H3 MET A 1 3.051 -10.879 -8.691 1.00 0.00 H new ATOM 0 HA MET A 1 5.243 -9.326 -7.550 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.718 -10.400 -9.988 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.701 -9.068 -10.499 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.211 -7.454 -9.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.193 -8.753 -8.791 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.780 -7.759 -13.288 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.697 -8.973 -12.566 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.656 -7.289 -11.990 1.00 0.00 H new ATOM 20 N MET A 2 2.896 -8.229 -7.187 1.00 0.00 N ATOM 21 CA MET A 2 1.844 -7.229 -7.056 1.00 0.00 C ATOM 22 C MET A 2 2.434 -5.820 -6.992 1.00 0.00 C ATOM 23 O MET A 2 3.117 -5.465 -6.032 1.00 0.00 O ATOM 24 CB MET A 2 1.001 -7.504 -5.809 1.00 0.00 C ATOM 25 CG MET A 2 -0.134 -8.487 -6.050 1.00 0.00 C ATOM 26 SD MET A 2 -1.691 -7.950 -5.317 1.00 0.00 S ATOM 27 CE MET A 2 -2.781 -9.275 -5.832 1.00 0.00 C ATOM 0 H MET A 2 3.122 -8.729 -6.327 1.00 0.00 H new ATOM 0 HA MET A 2 1.205 -7.293 -7.937 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.647 -7.893 -5.022 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.586 -6.564 -5.446 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.270 -8.622 -7.123 1.00 0.00 H new ATOM 0 HG3 MET A 2 0.140 -9.459 -5.639 1.00 0.00 H new ATOM 0 HE1 MET A 2 -3.786 -9.087 -5.455 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.805 -9.324 -6.921 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.416 -10.222 -5.435 1.00 0.00 H new ATOM 37 N LYS A 3 2.161 -5.015 -8.015 1.00 0.00 N ATOM 38 CA LYS A 3 2.662 -3.645 -8.057 1.00 0.00 C ATOM 39 C LYS A 3 1.964 -2.805 -7.001 1.00 0.00 C ATOM 40 O LYS A 3 0.823 -2.382 -7.180 1.00 0.00 O ATOM 41 CB LYS A 3 2.443 -3.036 -9.444 1.00 0.00 C ATOM 42 CG LYS A 3 3.424 -3.538 -10.492 1.00 0.00 C ATOM 43 CD LYS A 3 3.654 -2.502 -11.582 1.00 0.00 C ATOM 44 CE LYS A 3 2.998 -2.911 -12.891 1.00 0.00 C ATOM 45 NZ LYS A 3 2.912 -1.776 -13.849 1.00 0.00 N ATOM 0 H LYS A 3 1.599 -5.286 -8.822 1.00 0.00 H new ATOM 0 HA LYS A 3 3.732 -3.659 -7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.428 -3.258 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.525 -1.951 -9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.373 -3.783 -10.016 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.044 -4.458 -10.937 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.256 -1.540 -11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.725 -2.368 -11.737 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.566 -3.724 -13.343 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.997 -3.294 -12.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.459 -2.097 -14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.349 -1.009 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.869 -1.427 -14.060 1.00 0.00 H new ATOM 59 N ILE A 4 2.651 -2.588 -5.888 1.00 0.00 N ATOM 60 CA ILE A 4 2.093 -1.821 -4.786 1.00 0.00 C ATOM 61 C ILE A 4 2.778 -0.469 -4.627 1.00 0.00 C ATOM 62 O ILE A 4 4.002 -0.365 -4.667 1.00 0.00 O ATOM 63 CB ILE A 4 2.196 -2.608 -3.463 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.316 -3.856 -3.522 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.806 -1.736 -2.278 1.00 0.00 C ATOM 66 CD1 ILE A 4 2.054 -5.126 -3.181 1.00 0.00 C ATOM 0 H ILE A 4 3.597 -2.933 -5.725 1.00 0.00 H new ATOM 0 HA ILE A 4 1.044 -1.646 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 4 3.233 -2.915 -3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.480 -3.735 -2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.894 -3.947 -4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.887 -2.315 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.472 -0.875 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.779 -1.393 -2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.370 -5.972 -3.242 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.874 -5.270 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.453 -5.055 -2.169 1.00 0.00 H new ATOM 78 N GLN A 5 1.966 0.559 -4.425 1.00 0.00 N ATOM 79 CA GLN A 5 2.462 1.914 -4.227 1.00 0.00 C ATOM 80 C GLN A 5 2.200 2.343 -2.789 1.00 0.00 C ATOM 81 O GLN A 5 1.174 1.982 -2.214 1.00 0.00 O ATOM 82 CB GLN A 5 1.792 2.884 -5.205 1.00 0.00 C ATOM 83 CG GLN A 5 1.559 2.303 -6.593 1.00 0.00 C ATOM 84 CD GLN A 5 2.774 1.580 -7.142 1.00 0.00 C ATOM 85 OE1 GLN A 5 3.912 1.934 -6.835 1.00 0.00 O ATOM 86 NE2 GLN A 5 2.535 0.560 -7.959 1.00 0.00 N ATOM 0 H GLN A 5 0.950 0.478 -4.394 1.00 0.00 H new ATOM 0 HA GLN A 5 3.535 1.931 -4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.835 3.199 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.410 3.777 -5.295 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.717 1.611 -6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.281 3.106 -7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.574 0.302 -8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.312 0.035 -8.360 1.00 0.00 H new ATOM 95 N ILE A 6 3.119 3.109 -2.207 1.00 0.00 N ATOM 96 CA ILE A 6 2.955 3.561 -0.832 1.00 0.00 C ATOM 97 C ILE A 6 3.110 5.068 -0.750 1.00 0.00 C ATOM 98 O ILE A 6 4.225 5.593 -0.770 1.00 0.00 O ATOM 99 CB ILE A 6 3.965 2.886 0.123 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.480 1.568 -0.467 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.320 2.636 1.476 1.00 0.00 C ATOM 102 CD1 ILE A 6 5.724 1.728 -1.312 1.00 0.00 C ATOM 0 H ILE A 6 3.975 3.426 -2.662 1.00 0.00 H new ATOM 0 HA ILE A 6 1.951 3.276 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 6 4.814 3.558 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.690 0.873 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.694 1.120 -1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.041 2.160 2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.000 3.584 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.455 1.984 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.031 0.755 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.514 2.397 -2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.526 2.147 -0.704 1.00 0.00 H new ATOM 114 N TYR A 7 1.984 5.766 -0.687 1.00 0.00 N ATOM 115 CA TYR A 7 1.998 7.214 -0.634 1.00 0.00 C ATOM 116 C TYR A 7 1.947 7.736 0.793 1.00 0.00 C ATOM 117 O TYR A 7 0.974 7.526 1.516 1.00 0.00 O ATOM 118 CB TYR A 7 0.840 7.761 -1.474 1.00 0.00 C ATOM 119 CG TYR A 7 0.864 7.267 -2.911 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.968 6.588 -3.427 1.00 0.00 C ATOM 121 CD2 TYR A 7 -0.223 7.454 -3.745 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.982 6.121 -4.723 1.00 0.00 C ATOM 123 CE2 TYR A 7 -0.216 6.981 -5.039 1.00 0.00 C ATOM 124 CZ TYR A 7 0.885 6.316 -5.525 1.00 0.00 C ATOM 125 OH TYR A 7 0.889 5.845 -6.818 1.00 0.00 O ATOM 0 H TYR A 7 1.053 5.350 -0.672 1.00 0.00 H new ATOM 0 HA TYR A 7 2.941 7.567 -1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.104 7.473 -1.012 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.878 8.850 -1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.830 6.425 -2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.092 7.979 -3.376 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.850 5.605 -5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.077 7.133 -5.673 1.00 0.00 H new ATOM 0 HH TYR A 7 0.915 6.601 -7.441 1.00 0.00 H new ATOM 135 N GLY A 8 3.019 8.420 1.186 1.00 0.00 N ATOM 136 CA GLY A 8 3.106 8.974 2.524 1.00 0.00 C ATOM 137 C GLY A 8 4.379 9.770 2.733 1.00 0.00 C ATOM 138 O GLY A 8 4.416 10.972 2.473 1.00 0.00 O ATOM 0 H GLY A 8 3.832 8.600 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.244 9.616 2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.061 8.166 3.254 1.00 0.00 H new ATOM 142 N THR A 9 5.428 9.096 3.197 1.00 0.00 N ATOM 143 CA THR A 9 6.715 9.744 3.435 1.00 0.00 C ATOM 144 C THR A 9 6.553 11.035 4.233 1.00 0.00 C ATOM 145 O THR A 9 7.341 11.969 4.086 1.00 0.00 O ATOM 146 CB THR A 9 7.434 10.063 2.111 1.00 0.00 C ATOM 147 OG1 THR A 9 7.259 8.982 1.186 1.00 0.00 O ATOM 148 CG2 THR A 9 8.918 10.301 2.344 1.00 0.00 C ATOM 0 H THR A 9 5.412 8.100 3.416 1.00 0.00 H new ATOM 0 HA THR A 9 7.316 9.041 4.012 1.00 0.00 H new ATOM 0 HB THR A 9 6.997 10.971 1.696 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.832 9.316 0.370 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.404 10.524 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.049 11.142 3.025 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.366 9.408 2.780 1.00 0.00 H new ATOM 156 N GLY A 10 5.527 11.080 5.075 1.00 0.00 N ATOM 157 CA GLY A 10 5.281 12.261 5.882 1.00 0.00 C ATOM 158 C GLY A 10 3.869 12.305 6.430 1.00 0.00 C ATOM 159 O GLY A 10 2.913 12.520 5.685 1.00 0.00 O ATOM 0 H GLY A 10 4.861 10.320 5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.990 12.286 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.462 13.152 5.281 1.00 0.00 H new ATOM 163 N CYS A 11 3.738 12.099 7.736 1.00 0.00 N ATOM 164 CA CYS A 11 2.432 12.114 8.383 1.00 0.00 C ATOM 165 C CYS A 11 1.517 11.046 7.792 1.00 0.00 C ATOM 166 O CYS A 11 0.294 11.184 7.809 1.00 0.00 O ATOM 167 CB CYS A 11 1.785 13.493 8.243 1.00 0.00 C ATOM 168 SG CYS A 11 0.480 13.822 9.450 1.00 0.00 S ATOM 0 H CYS A 11 4.520 11.920 8.366 1.00 0.00 H new ATOM 0 HA CYS A 11 2.577 11.895 9.441 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.557 14.256 8.341 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.369 13.587 7.240 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.004 15.012 9.252 1.00 0.00 H new ATOM 174 N ALA A 12 2.117 9.979 7.271 1.00 0.00 N ATOM 175 CA ALA A 12 1.355 8.888 6.678 1.00 0.00 C ATOM 176 C ALA A 12 1.716 7.556 7.328 1.00 0.00 C ATOM 177 O ALA A 12 2.892 7.232 7.490 1.00 0.00 O ATOM 178 CB ALA A 12 1.593 8.831 5.173 1.00 0.00 C ATOM 0 H ALA A 12 3.128 9.848 7.248 1.00 0.00 H new ATOM 0 HA ALA A 12 0.296 9.075 6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.017 8.011 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.279 9.771 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.653 8.670 4.978 1.00 0.00 H new ATOM 184 N ASN A 13 0.696 6.784 7.694 1.00 0.00 N ATOM 185 CA ASN A 13 0.900 5.481 8.323 1.00 0.00 C ATOM 186 C ASN A 13 1.324 4.421 7.304 1.00 0.00 C ATOM 187 O ASN A 13 1.176 3.223 7.547 1.00 0.00 O ATOM 188 CB ASN A 13 -0.378 5.032 9.038 1.00 0.00 C ATOM 189 CG ASN A 13 -0.334 5.306 10.528 1.00 0.00 C ATOM 190 OD1 ASN A 13 -1.026 6.191 11.031 1.00 0.00 O ATOM 191 ND2 ASN A 13 0.484 4.544 11.246 1.00 0.00 N ATOM 0 H ASN A 13 -0.283 7.039 7.565 1.00 0.00 H new ATOM 0 HA ASN A 13 1.705 5.590 9.050 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.235 5.546 8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.528 3.965 8.872 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.556 4.682 12.254 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.040 3.821 10.789 1.00 0.00 H new ATOM 198 N CYS A 14 1.850 4.863 6.163 1.00 0.00 N ATOM 199 CA CYS A 14 2.290 3.947 5.110 1.00 0.00 C ATOM 200 C CYS A 14 3.224 2.879 5.666 1.00 0.00 C ATOM 201 O CYS A 14 3.291 1.765 5.148 1.00 0.00 O ATOM 202 CB CYS A 14 2.997 4.717 3.989 1.00 0.00 C ATOM 203 SG CYS A 14 4.091 6.039 4.563 1.00 0.00 S ATOM 0 H CYS A 14 1.982 5.850 5.943 1.00 0.00 H new ATOM 0 HA CYS A 14 1.404 3.457 4.706 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.579 4.014 3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.243 5.147 3.329 1.00 0.00 H new ATOM 0 HG CYS A 14 3.773 6.368 5.780 1.00 0.00 H new ATOM 209 N GLN A 15 3.942 3.232 6.721 1.00 0.00 N ATOM 210 CA GLN A 15 4.876 2.323 7.361 1.00 0.00 C ATOM 211 C GLN A 15 4.166 1.058 7.844 1.00 0.00 C ATOM 212 O GLN A 15 4.724 -0.039 7.795 1.00 0.00 O ATOM 213 CB GLN A 15 5.556 3.058 8.523 1.00 0.00 C ATOM 214 CG GLN A 15 5.333 2.430 9.894 1.00 0.00 C ATOM 215 CD GLN A 15 5.941 3.247 11.017 1.00 0.00 C ATOM 216 OE1 GLN A 15 6.713 2.733 11.827 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.595 4.528 11.071 1.00 0.00 N ATOM 0 H GLN A 15 3.893 4.154 7.155 1.00 0.00 H new ATOM 0 HA GLN A 15 5.631 2.007 6.642 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.628 3.102 8.329 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.194 4.086 8.546 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.263 2.319 10.069 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.763 1.428 9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.952 4.912 10.379 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.972 5.128 11.805 1.00 0.00 H new ATOM 226 N MET A 16 2.933 1.221 8.312 1.00 0.00 N ATOM 227 CA MET A 16 2.147 0.098 8.810 1.00 0.00 C ATOM 228 C MET A 16 1.753 -0.849 7.680 1.00 0.00 C ATOM 229 O MET A 16 1.955 -2.060 7.774 1.00 0.00 O ATOM 230 CB MET A 16 0.894 0.604 9.528 1.00 0.00 C ATOM 231 CG MET A 16 1.055 0.701 11.036 1.00 0.00 C ATOM 232 SD MET A 16 -0.500 1.052 11.878 1.00 0.00 S ATOM 233 CE MET A 16 0.074 1.298 13.556 1.00 0.00 C ATOM 0 H MET A 16 2.456 2.121 8.357 1.00 0.00 H new ATOM 0 HA MET A 16 2.767 -0.455 9.516 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.632 1.586 9.135 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.062 -0.062 9.302 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.466 -0.235 11.415 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.776 1.484 11.271 1.00 0.00 H new ATOM 0 HE1 MET A 16 -0.775 1.525 14.201 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.566 0.392 13.909 1.00 0.00 H new ATOM 0 HE3 MET A 16 0.780 2.128 13.581 1.00 0.00 H new ATOM 243 N LEU A 17 1.188 -0.293 6.614 1.00 0.00 N ATOM 244 CA LEU A 17 0.766 -1.094 5.472 1.00 0.00 C ATOM 245 C LEU A 17 1.974 -1.611 4.704 1.00 0.00 C ATOM 246 O LEU A 17 1.934 -2.687 4.111 1.00 0.00 O ATOM 247 CB LEU A 17 -0.132 -0.275 4.543 1.00 0.00 C ATOM 248 CG LEU A 17 -1.357 -1.018 4.007 1.00 0.00 C ATOM 249 CD1 LEU A 17 -2.496 -0.047 3.746 1.00 0.00 C ATOM 250 CD2 LEU A 17 -1.004 -1.783 2.740 1.00 0.00 C ATOM 0 H LEU A 17 1.012 0.707 6.517 1.00 0.00 H new ATOM 0 HA LEU A 17 0.199 -1.946 5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.470 0.612 5.078 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.464 0.070 3.698 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.683 -1.735 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.359 -0.593 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.765 0.456 4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.182 0.694 3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.887 -2.306 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.653 -1.085 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.219 -2.507 2.959 1.00 0.00 H new ATOM 262 N GLU A 18 3.045 -0.836 4.718 1.00 0.00 N ATOM 263 CA GLU A 18 4.271 -1.231 4.011 1.00 0.00 C ATOM 264 C GLU A 18 4.784 -2.573 4.532 1.00 0.00 C ATOM 265 O GLU A 18 5.213 -3.427 3.757 1.00 0.00 O ATOM 266 CB GLU A 18 5.389 -0.174 4.130 1.00 0.00 C ATOM 267 CG GLU A 18 6.658 -0.557 3.386 1.00 0.00 C ATOM 268 CD GLU A 18 6.797 0.163 2.059 1.00 0.00 C ATOM 269 OE1 GLU A 18 6.642 1.402 2.037 1.00 0.00 O ATOM 270 OE2 GLU A 18 7.060 -0.513 1.042 1.00 0.00 O ATOM 0 H GLU A 18 3.100 0.060 5.202 1.00 0.00 H new ATOM 0 HA GLU A 18 4.006 -1.320 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.023 0.777 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.625 -0.022 5.183 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.523 -0.331 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.662 -1.633 3.213 1.00 0.00 H new ATOM 277 N LYS A 19 4.749 -2.746 5.851 1.00 0.00 N ATOM 278 CA LYS A 19 5.223 -3.977 6.478 1.00 0.00 C ATOM 279 C LYS A 19 4.262 -5.149 6.263 1.00 0.00 C ATOM 280 O LYS A 19 4.697 -6.270 5.999 1.00 0.00 O ATOM 281 CB LYS A 19 5.437 -3.752 7.977 1.00 0.00 C ATOM 282 CG LYS A 19 6.806 -4.192 8.468 1.00 0.00 C ATOM 283 CD LYS A 19 7.141 -3.571 9.815 1.00 0.00 C ATOM 284 CE LYS A 19 6.158 -4.004 10.889 1.00 0.00 C ATOM 285 NZ LYS A 19 6.816 -4.161 12.215 1.00 0.00 N ATOM 0 H LYS A 19 4.397 -2.049 6.507 1.00 0.00 H new ATOM 0 HA LYS A 19 6.168 -4.238 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.303 -2.693 8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.670 -4.294 8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.832 -5.279 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.564 -3.909 7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.151 -3.858 10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.131 -2.485 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.358 -3.268 10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.696 -4.948 10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.111 -4.457 12.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.563 -4.882 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.235 -3.254 12.504 1.00 0.00 H new ATOM 299 N ASN A 20 2.961 -4.898 6.393 1.00 0.00 N ATOM 300 CA ASN A 20 1.969 -5.965 6.230 1.00 0.00 C ATOM 301 C ASN A 20 1.777 -6.338 4.765 1.00 0.00 C ATOM 302 O ASN A 20 1.537 -7.502 4.440 1.00 0.00 O ATOM 303 CB ASN A 20 0.620 -5.584 6.863 1.00 0.00 C ATOM 304 CG ASN A 20 -0.022 -4.358 6.244 1.00 0.00 C ATOM 305 OD1 ASN A 20 0.168 -4.062 5.067 1.00 0.00 O ATOM 306 ND2 ASN A 20 -0.804 -3.641 7.044 1.00 0.00 N ATOM 0 H ASN A 20 2.571 -3.980 6.607 1.00 0.00 H new ATOM 0 HA ASN A 20 2.359 -6.838 6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.065 -6.427 6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.766 -5.407 7.929 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.274 -2.809 6.686 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.935 -3.922 8.016 1.00 0.00 H new ATOM 313 N ALA A 21 1.876 -5.354 3.884 1.00 0.00 N ATOM 314 CA ALA A 21 1.704 -5.590 2.457 1.00 0.00 C ATOM 315 C ALA A 21 2.822 -6.468 1.894 1.00 0.00 C ATOM 316 O ALA A 21 2.556 -7.455 1.211 1.00 0.00 O ATOM 317 CB ALA A 21 1.633 -4.269 1.711 1.00 0.00 C ATOM 0 H ALA A 21 2.074 -4.384 4.131 1.00 0.00 H new ATOM 0 HA ALA A 21 0.765 -6.125 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.504 -4.459 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.788 -3.688 2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.555 -3.711 1.871 1.00 0.00 H new ATOM 323 N ARG A 22 4.071 -6.105 2.176 1.00 0.00 N ATOM 324 CA ARG A 22 5.217 -6.864 1.688 1.00 0.00 C ATOM 325 C ARG A 22 5.188 -8.303 2.191 1.00 0.00 C ATOM 326 O ARG A 22 5.440 -9.238 1.430 1.00 0.00 O ATOM 327 CB ARG A 22 6.523 -6.185 2.116 1.00 0.00 C ATOM 328 CG ARG A 22 7.441 -5.847 0.952 1.00 0.00 C ATOM 329 CD ARG A 22 8.906 -6.021 1.325 1.00 0.00 C ATOM 330 NE ARG A 22 9.687 -4.817 1.051 1.00 0.00 N ATOM 331 CZ ARG A 22 9.910 -4.341 -0.172 1.00 0.00 C ATOM 332 NH1 ARG A 22 9.410 -4.961 -1.235 1.00 0.00 N ATOM 333 NH2 ARG A 22 10.633 -3.241 -0.333 1.00 0.00 N ATOM 0 H ARG A 22 4.314 -5.290 2.740 1.00 0.00 H new ATOM 0 HA ARG A 22 5.162 -6.886 0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.286 -5.270 2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.053 -6.839 2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.203 -6.487 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.265 -4.819 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.984 -6.270 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.325 -6.859 0.768 1.00 0.00 H new ATOM 0 HE ARG A 22 10.085 -4.312 1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.852 -5.806 -1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.584 -4.592 -2.170 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.018 -2.760 0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.804 -2.876 -1.270 1.00 0.00 H new ATOM 347 N GLU A 23 4.891 -8.481 3.472 1.00 0.00 N ATOM 348 CA GLU A 23 4.844 -9.815 4.055 1.00 0.00 C ATOM 349 C GLU A 23 3.609 -10.576 3.579 1.00 0.00 C ATOM 350 O GLU A 23 3.711 -11.713 3.125 1.00 0.00 O ATOM 351 CB GLU A 23 4.862 -9.732 5.587 1.00 0.00 C ATOM 352 CG GLU A 23 4.579 -11.056 6.281 1.00 0.00 C ATOM 353 CD GLU A 23 5.637 -12.104 5.994 1.00 0.00 C ATOM 354 OE1 GLU A 23 6.686 -11.748 5.416 1.00 0.00 O ATOM 355 OE2 GLU A 23 5.416 -13.282 6.348 1.00 0.00 O ATOM 0 H GLU A 23 4.681 -7.724 4.123 1.00 0.00 H new ATOM 0 HA GLU A 23 5.728 -10.360 3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.837 -9.365 5.909 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.123 -8.999 5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.518 -10.892 7.357 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.607 -11.430 5.960 1.00 0.00 H new ATOM 362 N ALA A 24 2.447 -9.945 3.685 1.00 0.00 N ATOM 363 CA ALA A 24 1.197 -10.573 3.270 1.00 0.00 C ATOM 364 C ALA A 24 1.193 -10.889 1.777 1.00 0.00 C ATOM 365 O ALA A 24 0.904 -12.015 1.378 1.00 0.00 O ATOM 366 CB ALA A 24 0.016 -9.683 3.627 1.00 0.00 C ATOM 0 H ALA A 24 2.343 -9.000 4.054 1.00 0.00 H new ATOM 0 HA ALA A 24 1.106 -11.517 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.910 -10.164 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.007 -9.524 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.117 -8.723 3.120 1.00 0.00 H new ATOM 372 N VAL A 25 1.504 -9.892 0.954 1.00 0.00 N ATOM 373 CA VAL A 25 1.519 -10.083 -0.495 1.00 0.00 C ATOM 374 C VAL A 25 2.403 -11.276 -0.881 1.00 0.00 C ATOM 375 O VAL A 25 1.945 -12.201 -1.553 1.00 0.00 O ATOM 376 CB VAL A 25 1.977 -8.788 -1.235 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.490 -8.605 -1.186 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.483 -8.803 -2.673 1.00 0.00 C ATOM 0 H VAL A 25 1.747 -8.950 1.261 1.00 0.00 H new ATOM 0 HA VAL A 25 0.498 -10.300 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 25 1.535 -7.937 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.763 -7.691 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.815 -8.536 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.975 -9.457 -1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.809 -7.894 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.891 -9.672 -3.189 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.394 -8.853 -2.683 1.00 0.00 H new ATOM 388 N LYS A 26 3.656 -11.258 -0.444 1.00 0.00 N ATOM 389 CA LYS A 26 4.588 -12.344 -0.731 1.00 0.00 C ATOM 390 C LYS A 26 4.170 -13.632 -0.018 1.00 0.00 C ATOM 391 O LYS A 26 4.158 -14.706 -0.619 1.00 0.00 O ATOM 392 CB LYS A 26 6.004 -11.949 -0.303 1.00 0.00 C ATOM 393 CG LYS A 26 6.836 -11.357 -1.428 1.00 0.00 C ATOM 394 CD LYS A 26 8.183 -10.863 -0.926 1.00 0.00 C ATOM 395 CE LYS A 26 8.157 -9.372 -0.636 1.00 0.00 C ATOM 396 NZ LYS A 26 7.867 -8.573 -1.859 1.00 0.00 N ATOM 0 H LYS A 26 4.052 -10.501 0.113 1.00 0.00 H new ATOM 0 HA LYS A 26 4.573 -12.527 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.940 -11.226 0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.514 -12.828 0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.989 -12.108 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.293 -10.531 -1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.457 -11.406 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.950 -11.077 -1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.402 -9.163 0.122 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.118 -9.066 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.288 -7.627 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.273 -9.050 -2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.838 -8.484 -1.980 1.00 0.00 H new ATOM 410 N GLU A 27 3.836 -13.519 1.267 1.00 0.00 N ATOM 411 CA GLU A 27 3.428 -14.679 2.059 1.00 0.00 C ATOM 412 C GLU A 27 2.209 -15.366 1.451 1.00 0.00 C ATOM 413 O GLU A 27 2.178 -16.589 1.319 1.00 0.00 O ATOM 414 CB GLU A 27 3.125 -14.269 3.501 1.00 0.00 C ATOM 415 CG GLU A 27 2.757 -15.437 4.402 1.00 0.00 C ATOM 416 CD GLU A 27 1.258 -15.608 4.552 1.00 0.00 C ATOM 417 OE1 GLU A 27 0.520 -15.206 3.629 1.00 0.00 O ATOM 418 OE2 GLU A 27 0.823 -16.144 5.592 1.00 0.00 O ATOM 0 H GLU A 27 3.840 -12.638 1.781 1.00 0.00 H new ATOM 0 HA GLU A 27 4.258 -15.385 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.996 -13.761 3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.306 -13.549 3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.185 -16.353 3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.202 -15.287 5.386 1.00 0.00 H new ATOM 425 N LEU A 28 1.206 -14.574 1.076 1.00 0.00 N ATOM 426 CA LEU A 28 -0.011 -15.119 0.476 1.00 0.00 C ATOM 427 C LEU A 28 0.325 -16.034 -0.698 1.00 0.00 C ATOM 428 O LEU A 28 -0.472 -16.890 -1.081 1.00 0.00 O ATOM 429 CB LEU A 28 -0.932 -13.990 0.007 1.00 0.00 C ATOM 430 CG LEU A 28 -2.427 -14.318 0.034 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.758 -15.388 -0.994 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.848 -14.765 1.426 1.00 0.00 C ATOM 0 H LEU A 28 1.211 -13.559 1.176 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.527 -15.704 1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.756 -13.115 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.655 -13.715 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.983 -13.415 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.825 -15.608 -0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.493 -15.031 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.194 -16.294 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.914 -14.994 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.285 -15.655 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.647 -13.967 2.141 1.00 0.00 H new ATOM 444 N GLY A 29 1.515 -15.850 -1.264 1.00 0.00 N ATOM 445 CA GLY A 29 1.941 -16.666 -2.384 1.00 0.00 C ATOM 446 C GLY A 29 2.084 -15.867 -3.663 1.00 0.00 C ATOM 447 O GLY A 29 1.558 -16.252 -4.707 1.00 0.00 O ATOM 0 H GLY A 29 2.192 -15.148 -0.965 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.895 -17.136 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.220 -17.469 -2.540 1.00 0.00 H new ATOM 451 N ILE A 30 2.804 -14.752 -3.582 1.00 0.00 N ATOM 452 CA ILE A 30 3.021 -13.899 -4.742 1.00 0.00 C ATOM 453 C ILE A 30 3.835 -12.663 -4.378 1.00 0.00 C ATOM 454 O ILE A 30 3.446 -11.873 -3.518 1.00 0.00 O ATOM 455 CB ILE A 30 1.688 -13.465 -5.385 1.00 0.00 C ATOM 456 CG1 ILE A 30 1.919 -12.390 -6.451 1.00 0.00 C ATOM 457 CG2 ILE A 30 0.722 -12.967 -4.321 1.00 0.00 C ATOM 458 CD1 ILE A 30 0.682 -12.063 -7.258 1.00 0.00 C ATOM 0 H ILE A 30 3.246 -14.420 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 30 3.581 -14.491 -5.465 1.00 0.00 H new ATOM 0 HB ILE A 30 1.247 -14.334 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.278 -11.482 -5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.706 -12.724 -7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.213 -12.665 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.527 -13.765 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.160 -12.114 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.920 -11.294 -7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.334 -12.960 -7.770 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.101 -11.699 -6.593 1.00 0.00 H new ATOM 470 N ASP A 31 4.961 -12.505 -5.057 1.00 0.00 N ATOM 471 CA ASP A 31 5.846 -11.373 -4.840 1.00 0.00 C ATOM 472 C ASP A 31 5.139 -10.073 -5.192 1.00 0.00 C ATOM 473 O ASP A 31 4.099 -10.082 -5.847 1.00 0.00 O ATOM 474 CB ASP A 31 7.119 -11.524 -5.676 1.00 0.00 C ATOM 475 CG ASP A 31 8.376 -11.282 -4.863 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.782 -10.109 -4.733 1.00 0.00 O ATOM 477 OD2 ASP A 31 8.952 -12.267 -4.357 1.00 0.00 O ATOM 0 H ASP A 31 5.285 -13.156 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 31 6.121 -11.347 -3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.153 -12.526 -6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.088 -10.823 -6.510 1.00 0.00 H new ATOM 482 N ALA A 32 5.702 -8.959 -4.750 1.00 0.00 N ATOM 483 CA ALA A 32 5.128 -7.661 -5.022 1.00 0.00 C ATOM 484 C ALA A 32 6.210 -6.606 -5.004 1.00 0.00 C ATOM 485 O ALA A 32 7.220 -6.751 -4.315 1.00 0.00 O ATOM 486 CB ALA A 32 4.042 -7.343 -4.011 1.00 0.00 C ATOM 0 H ALA A 32 6.560 -8.934 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 32 4.674 -7.672 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.619 -6.362 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.258 -8.098 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.468 -7.340 -3.008 1.00 0.00 H new ATOM 492 N GLU A 33 6.005 -5.545 -5.762 1.00 0.00 N ATOM 493 CA GLU A 33 6.983 -4.480 -5.818 1.00 0.00 C ATOM 494 C GLU A 33 6.424 -3.225 -5.170 1.00 0.00 C ATOM 495 O GLU A 33 5.465 -2.634 -5.665 1.00 0.00 O ATOM 496 CB GLU A 33 7.390 -4.190 -7.263 1.00 0.00 C ATOM 497 CG GLU A 33 7.691 -5.439 -8.074 1.00 0.00 C ATOM 498 CD GLU A 33 8.882 -5.262 -8.995 1.00 0.00 C ATOM 499 OE1 GLU A 33 9.882 -4.650 -8.562 1.00 0.00 O ATOM 500 OE2 GLU A 33 8.814 -5.733 -10.149 1.00 0.00 O ATOM 0 H GLU A 33 5.178 -5.400 -6.341 1.00 0.00 H new ATOM 0 HA GLU A 33 7.870 -4.799 -5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.590 -3.634 -7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.270 -3.547 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.881 -6.271 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.815 -5.704 -8.666 1.00 0.00 H new ATOM 507 N PHE A 34 7.014 -2.834 -4.054 1.00 0.00 N ATOM 508 CA PHE A 34 6.554 -1.661 -3.334 1.00 0.00 C ATOM 509 C PHE A 34 7.419 -0.448 -3.629 1.00 0.00 C ATOM 510 O PHE A 34 8.565 -0.357 -3.187 1.00 0.00 O ATOM 511 CB PHE A 34 6.524 -1.949 -1.839 1.00 0.00 C ATOM 512 CG PHE A 34 5.661 -3.129 -1.495 1.00 0.00 C ATOM 513 CD1 PHE A 34 6.156 -4.421 -1.586 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.347 -2.946 -1.097 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.356 -5.505 -1.282 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.544 -4.026 -0.793 1.00 0.00 C ATOM 517 CZ PHE A 34 4.049 -5.305 -0.885 1.00 0.00 C ATOM 0 H PHE A 34 7.810 -3.310 -3.628 1.00 0.00 H new ATOM 0 HA PHE A 34 5.544 -1.430 -3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.540 -2.132 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.157 -1.069 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.178 -4.581 -1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.946 -1.946 -1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.752 -6.507 -1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.521 -3.869 -0.483 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.422 -6.151 -0.646 1.00 0.00 H new ATOM 527 N GLU A 35 6.847 0.488 -4.374 1.00 0.00 N ATOM 528 CA GLU A 35 7.542 1.717 -4.732 1.00 0.00 C ATOM 529 C GLU A 35 6.970 2.893 -3.951 1.00 0.00 C ATOM 530 O GLU A 35 5.833 3.309 -4.180 1.00 0.00 O ATOM 531 CB GLU A 35 7.421 1.979 -6.235 1.00 0.00 C ATOM 532 CG GLU A 35 8.431 1.210 -7.071 1.00 0.00 C ATOM 533 CD GLU A 35 8.522 1.726 -8.494 1.00 0.00 C ATOM 534 OE1 GLU A 35 8.169 2.901 -8.724 1.00 0.00 O ATOM 535 OE2 GLU A 35 8.946 0.954 -9.380 1.00 0.00 O ATOM 0 H GLU A 35 5.899 0.419 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 35 8.596 1.604 -4.479 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.415 1.714 -6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.546 3.046 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.412 1.276 -6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.156 0.155 -7.088 1.00 0.00 H new ATOM 542 N LYS A 36 7.761 3.422 -3.026 1.00 0.00 N ATOM 543 CA LYS A 36 7.326 4.546 -2.209 1.00 0.00 C ATOM 544 C LYS A 36 7.566 5.864 -2.935 1.00 0.00 C ATOM 545 O LYS A 36 8.617 6.070 -3.541 1.00 0.00 O ATOM 546 CB LYS A 36 8.060 4.541 -0.867 1.00 0.00 C ATOM 547 CG LYS A 36 7.674 5.695 0.044 1.00 0.00 C ATOM 548 CD LYS A 36 8.594 5.783 1.251 1.00 0.00 C ATOM 549 CE LYS A 36 8.471 4.553 2.137 1.00 0.00 C ATOM 550 NZ LYS A 36 8.606 4.892 3.581 1.00 0.00 N ATOM 0 H LYS A 36 8.704 3.091 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 36 6.256 4.443 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.856 3.601 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.134 4.577 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.714 6.630 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.644 5.567 0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.626 5.890 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.353 6.675 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.506 4.077 1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.238 3.829 1.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.516 4.027 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.537 5.323 3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.859 5.563 3.851 1.00 0.00 H new ATOM 564 N ILE A 37 6.584 6.753 -2.865 1.00 0.00 N ATOM 565 CA ILE A 37 6.685 8.056 -3.513 1.00 0.00 C ATOM 566 C ILE A 37 6.745 9.162 -2.460 1.00 0.00 C ATOM 567 O ILE A 37 6.417 8.934 -1.296 1.00 0.00 O ATOM 568 CB ILE A 37 5.497 8.301 -4.492 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.429 9.197 -3.862 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.878 6.981 -4.928 1.00 0.00 C ATOM 571 CD1 ILE A 37 3.901 8.654 -2.562 1.00 0.00 C ATOM 0 H ILE A 37 5.708 6.597 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 37 7.604 8.070 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 37 5.896 8.812 -5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.848 10.189 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.602 9.316 -4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.051 7.175 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.631 6.375 -5.433 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.508 6.446 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.147 9.333 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.454 7.674 -2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.719 8.561 -1.848 1.00 0.00 H new ATOM 583 N LYS A 38 7.154 10.355 -2.868 1.00 0.00 N ATOM 584 CA LYS A 38 7.237 11.478 -1.944 1.00 0.00 C ATOM 585 C LYS A 38 6.774 12.763 -2.615 1.00 0.00 C ATOM 586 O LYS A 38 7.584 13.616 -2.978 1.00 0.00 O ATOM 587 CB LYS A 38 8.663 11.634 -1.419 1.00 0.00 C ATOM 588 CG LYS A 38 9.689 11.896 -2.511 1.00 0.00 C ATOM 589 CD LYS A 38 10.552 13.108 -2.192 1.00 0.00 C ATOM 590 CE LYS A 38 11.088 13.761 -3.456 1.00 0.00 C ATOM 591 NZ LYS A 38 10.523 15.124 -3.659 1.00 0.00 N ATOM 0 H LYS A 38 7.432 10.570 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 38 6.577 11.276 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.690 12.455 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.943 10.730 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.324 11.018 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.178 12.053 -3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.967 13.834 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.385 12.806 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.175 13.823 -3.400 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.848 13.137 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.913 15.535 -4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.488 15.062 -3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.773 15.727 -2.850 1.00 0.00 H new ATOM 605 N GLU A 39 5.456 12.882 -2.770 1.00 0.00 N ATOM 606 CA GLU A 39 4.825 14.049 -3.395 1.00 0.00 C ATOM 607 C GLU A 39 3.468 13.657 -3.971 1.00 0.00 C ATOM 608 O GLU A 39 3.352 12.640 -4.655 1.00 0.00 O ATOM 609 CB GLU A 39 5.704 14.630 -4.510 1.00 0.00 C ATOM 610 CG GLU A 39 6.505 15.849 -4.080 1.00 0.00 C ATOM 611 CD GLU A 39 5.732 17.142 -4.244 1.00 0.00 C ATOM 612 OE1 GLU A 39 4.485 17.088 -4.271 1.00 0.00 O ATOM 613 OE2 GLU A 39 6.374 18.209 -4.346 1.00 0.00 O ATOM 0 H GLU A 39 4.792 12.171 -2.465 1.00 0.00 H new ATOM 0 HA GLU A 39 4.696 14.812 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.391 13.859 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.072 14.901 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.800 15.736 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.422 15.902 -4.666 1.00 0.00 H new ATOM 620 N MET A 40 2.441 14.458 -3.698 1.00 0.00 N ATOM 621 CA MET A 40 1.103 14.166 -4.203 1.00 0.00 C ATOM 622 C MET A 40 1.113 14.055 -5.719 1.00 0.00 C ATOM 623 O MET A 40 0.315 13.318 -6.294 1.00 0.00 O ATOM 624 CB MET A 40 0.111 15.241 -3.756 1.00 0.00 C ATOM 625 CG MET A 40 0.646 16.657 -3.889 1.00 0.00 C ATOM 626 SD MET A 40 -0.638 17.847 -4.321 1.00 0.00 S ATOM 627 CE MET A 40 0.347 19.309 -4.636 1.00 0.00 C ATOM 0 H MET A 40 2.508 15.306 -3.135 1.00 0.00 H new ATOM 0 HA MET A 40 0.786 13.209 -3.789 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.801 15.149 -4.346 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.162 15.061 -2.716 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.111 16.955 -2.949 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.425 16.677 -4.651 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.307 20.135 -4.916 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.902 19.574 -3.736 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.046 19.109 -5.448 1.00 0.00 H new ATOM 637 N ASP A 41 2.037 14.759 -6.366 1.00 0.00 N ATOM 638 CA ASP A 41 2.145 14.686 -7.817 1.00 0.00 C ATOM 639 C ASP A 41 2.219 13.221 -8.224 1.00 0.00 C ATOM 640 O ASP A 41 1.703 12.816 -9.265 1.00 0.00 O ATOM 641 CB ASP A 41 3.385 15.437 -8.305 1.00 0.00 C ATOM 642 CG ASP A 41 3.053 16.817 -8.839 1.00 0.00 C ATOM 643 OD1 ASP A 41 1.961 16.981 -9.422 1.00 0.00 O ATOM 644 OD2 ASP A 41 3.886 17.733 -8.673 1.00 0.00 O ATOM 0 H ASP A 41 2.712 15.377 -5.916 1.00 0.00 H new ATOM 0 HA ASP A 41 1.272 15.154 -8.272 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.097 15.530 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.874 14.856 -9.087 1.00 0.00 H new ATOM 649 N GLN A 42 2.849 12.430 -7.360 1.00 0.00 N ATOM 650 CA GLN A 42 2.981 11.000 -7.574 1.00 0.00 C ATOM 651 C GLN A 42 1.761 10.265 -7.021 1.00 0.00 C ATOM 652 O GLN A 42 1.353 9.236 -7.558 1.00 0.00 O ATOM 653 CB GLN A 42 4.254 10.477 -6.907 1.00 0.00 C ATOM 654 CG GLN A 42 5.486 10.570 -7.791 1.00 0.00 C ATOM 655 CD GLN A 42 6.081 11.964 -7.818 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.369 12.958 -7.677 1.00 0.00 O ATOM 657 NE2 GLN A 42 7.395 12.044 -8.000 1.00 0.00 N ATOM 0 H GLN A 42 3.279 12.764 -6.497 1.00 0.00 H new ATOM 0 HA GLN A 42 3.046 10.816 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.431 11.040 -5.990 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.102 9.437 -6.618 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.238 9.865 -7.436 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.224 10.271 -8.806 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.947 11.194 -8.113 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.852 12.956 -8.027 1.00 0.00 H new ATOM 666 N ILE A 43 1.186 10.793 -5.933 1.00 0.00 N ATOM 667 CA ILE A 43 0.024 10.162 -5.318 1.00 0.00 C ATOM 668 C ILE A 43 -1.223 10.320 -6.181 1.00 0.00 C ATOM 669 O ILE A 43 -1.921 9.349 -6.473 1.00 0.00 O ATOM 670 CB ILE A 43 -0.259 10.662 -3.873 1.00 0.00 C ATOM 671 CG1 ILE A 43 -1.181 11.892 -3.866 1.00 0.00 C ATOM 672 CG2 ILE A 43 1.044 10.946 -3.135 1.00 0.00 C ATOM 673 CD1 ILE A 43 -1.376 12.502 -2.493 1.00 0.00 C ATOM 0 H ILE A 43 1.505 11.644 -5.470 1.00 0.00 H new ATOM 0 HA ILE A 43 0.274 9.104 -5.246 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.783 9.865 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.768 12.648 -4.534 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.153 11.608 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.822 11.295 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.638 10.034 -3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.605 11.713 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.038 13.365 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.819 11.762 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.412 12.819 -2.095 1.00 0.00 H new ATOM 685 N LEU A 44 -1.491 11.549 -6.582 1.00 0.00 N ATOM 686 CA LEU A 44 -2.651 11.856 -7.409 1.00 0.00 C ATOM 687 C LEU A 44 -2.620 11.043 -8.699 1.00 0.00 C ATOM 688 O LEU A 44 -3.659 10.599 -9.189 1.00 0.00 O ATOM 689 CB LEU A 44 -2.715 13.366 -7.698 1.00 0.00 C ATOM 690 CG LEU A 44 -2.326 13.807 -9.115 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.928 15.167 -9.432 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.813 13.846 -9.266 1.00 0.00 C ATOM 0 H LEU A 44 -0.918 12.359 -6.348 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.554 11.579 -6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.731 13.709 -7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.063 13.877 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.723 13.080 -9.823 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.642 15.465 -10.441 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.014 15.109 -9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.559 15.903 -8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.556 14.161 -10.277 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.394 14.552 -8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.403 12.853 -9.080 1.00 0.00 H new ATOM 704 N GLU A 45 -1.420 10.835 -9.236 1.00 0.00 N ATOM 705 CA GLU A 45 -1.260 10.057 -10.461 1.00 0.00 C ATOM 706 C GLU A 45 -1.927 8.693 -10.309 1.00 0.00 C ATOM 707 O GLU A 45 -2.337 8.075 -11.292 1.00 0.00 O ATOM 708 CB GLU A 45 0.222 9.880 -10.793 1.00 0.00 C ATOM 709 CG GLU A 45 0.816 11.046 -11.567 1.00 0.00 C ATOM 710 CD GLU A 45 1.050 10.718 -13.028 1.00 0.00 C ATOM 711 OE1 GLU A 45 0.125 10.180 -13.671 1.00 0.00 O ATOM 712 OE2 GLU A 45 2.159 11.000 -13.530 1.00 0.00 O ATOM 0 H GLU A 45 -0.549 11.192 -8.844 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.739 10.597 -11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.780 9.748 -9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.349 8.967 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.148 11.904 -11.494 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.761 11.338 -11.108 1.00 0.00 H new ATOM 719 N ALA A 46 -2.040 8.240 -9.064 1.00 0.00 N ATOM 720 CA ALA A 46 -2.666 6.966 -8.759 1.00 0.00 C ATOM 721 C ALA A 46 -4.176 7.096 -8.801 1.00 0.00 C ATOM 722 O ALA A 46 -4.873 6.267 -9.385 1.00 0.00 O ATOM 723 CB ALA A 46 -2.226 6.496 -7.385 1.00 0.00 C ATOM 0 H ALA A 46 -1.701 8.745 -8.245 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.358 6.235 -9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.698 5.540 -7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.142 6.379 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.521 7.232 -6.637 1.00 0.00 H new ATOM 729 N GLY A 47 -4.674 8.151 -8.168 1.00 0.00 N ATOM 730 CA GLY A 47 -6.098 8.387 -8.131 1.00 0.00 C ATOM 731 C GLY A 47 -6.599 8.698 -6.734 1.00 0.00 C ATOM 732 O GLY A 47 -7.670 9.284 -6.572 1.00 0.00 O ATOM 0 H GLY A 47 -4.112 8.848 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.343 9.217 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.619 7.509 -8.513 1.00 0.00 H new ATOM 736 N LEU A 48 -5.827 8.311 -5.719 1.00 0.00 N ATOM 737 CA LEU A 48 -6.221 8.567 -4.338 1.00 0.00 C ATOM 738 C LEU A 48 -6.163 10.060 -4.018 1.00 0.00 C ATOM 739 O LEU A 48 -5.444 10.818 -4.668 1.00 0.00 O ATOM 740 CB LEU A 48 -5.365 7.753 -3.343 1.00 0.00 C ATOM 741 CG LEU A 48 -3.831 7.956 -3.355 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.116 6.692 -3.805 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.400 9.147 -4.201 1.00 0.00 C ATOM 0 H LEU A 48 -4.937 7.825 -5.826 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.254 8.238 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.722 7.977 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.562 6.696 -3.523 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.541 8.176 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.039 6.863 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.354 5.876 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.441 6.429 -4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.314 9.240 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.724 8.998 -5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.853 10.057 -3.806 1.00 0.00 H new ATOM 755 N THR A 49 -6.939 10.476 -3.023 1.00 0.00 N ATOM 756 CA THR A 49 -6.985 11.878 -2.622 1.00 0.00 C ATOM 757 C THR A 49 -6.396 12.078 -1.229 1.00 0.00 C ATOM 758 O THR A 49 -6.069 13.198 -0.837 1.00 0.00 O ATOM 759 CB THR A 49 -8.427 12.424 -2.643 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.280 11.532 -3.371 1.00 0.00 O ATOM 761 CG2 THR A 49 -8.474 13.806 -3.277 1.00 0.00 C ATOM 0 H THR A 49 -7.545 9.862 -2.479 1.00 0.00 H new ATOM 0 HA THR A 49 -6.385 12.429 -3.346 1.00 0.00 H new ATOM 0 HB THR A 49 -8.776 12.501 -1.613 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.194 11.886 -3.378 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.501 14.170 -3.280 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.848 14.491 -2.704 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.106 13.749 -4.301 1.00 0.00 H new ATOM 769 N ALA A 50 -6.259 10.984 -0.489 1.00 0.00 N ATOM 770 CA ALA A 50 -5.706 11.035 0.856 1.00 0.00 C ATOM 771 C ALA A 50 -4.190 10.879 0.824 1.00 0.00 C ATOM 772 O ALA A 50 -3.595 10.758 -0.247 1.00 0.00 O ATOM 773 CB ALA A 50 -6.333 9.957 1.724 1.00 0.00 C ATOM 0 H ALA A 50 -6.524 10.050 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.938 12.009 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.910 10.006 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.411 10.113 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.129 8.977 1.292 1.00 0.00 H new ATOM 779 N LEU A 51 -3.564 10.891 1.997 1.00 0.00 N ATOM 780 CA LEU A 51 -2.116 10.760 2.077 1.00 0.00 C ATOM 781 C LEU A 51 -1.675 9.298 2.038 1.00 0.00 C ATOM 782 O LEU A 51 -0.987 8.889 1.104 1.00 0.00 O ATOM 783 CB LEU A 51 -1.576 11.453 3.331 1.00 0.00 C ATOM 784 CG LEU A 51 -0.729 12.699 3.065 1.00 0.00 C ATOM 785 CD1 LEU A 51 -1.535 13.740 2.307 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.206 13.273 4.373 1.00 0.00 C ATOM 0 H LEU A 51 -4.033 10.989 2.897 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.697 11.252 1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.418 11.732 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.977 10.738 3.894 1.00 0.00 H new ATOM 0 HG LEU A 51 0.124 12.413 2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.916 14.619 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.861 13.324 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.407 14.025 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.395 14.159 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.046 13.545 5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.408 12.527 4.878 1.00 0.00 H new ATOM 798 N PRO A 52 -2.047 8.484 3.044 1.00 0.00 N ATOM 799 CA PRO A 52 -1.662 7.065 3.093 1.00 0.00 C ATOM 800 C PRO A 52 -2.319 6.231 1.992 1.00 0.00 C ATOM 801 O PRO A 52 -2.920 5.193 2.267 1.00 0.00 O ATOM 802 CB PRO A 52 -2.151 6.596 4.474 1.00 0.00 C ATOM 803 CG PRO A 52 -2.471 7.839 5.233 1.00 0.00 C ATOM 804 CD PRO A 52 -2.857 8.867 4.212 1.00 0.00 C ATOM 0 HA PRO A 52 -0.590 6.943 2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.029 5.957 4.382 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.384 6.013 4.984 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.285 7.666 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.611 8.172 5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.924 8.838 3.992 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.629 9.878 4.549 1.00 0.00 H new ATOM 812 N GLY A 53 -2.199 6.685 0.746 1.00 0.00 N ATOM 813 CA GLY A 53 -2.787 5.969 -0.370 1.00 0.00 C ATOM 814 C GLY A 53 -1.925 4.831 -0.869 1.00 0.00 C ATOM 815 O GLY A 53 -0.816 5.045 -1.360 1.00 0.00 O ATOM 0 H GLY A 53 -1.703 7.539 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.758 5.576 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.965 6.667 -1.188 1.00 0.00 H new ATOM 819 N LEU A 54 -2.449 3.620 -0.752 1.00 0.00 N ATOM 820 CA LEU A 54 -1.746 2.428 -1.202 1.00 0.00 C ATOM 821 C LEU A 54 -2.380 1.912 -2.488 1.00 0.00 C ATOM 822 O LEU A 54 -3.485 1.371 -2.469 1.00 0.00 O ATOM 823 CB LEU A 54 -1.791 1.345 -0.120 1.00 0.00 C ATOM 824 CG LEU A 54 -0.592 1.319 0.832 1.00 0.00 C ATOM 825 CD1 LEU A 54 0.627 0.724 0.144 1.00 0.00 C ATOM 826 CD2 LEU A 54 -0.288 2.718 1.349 1.00 0.00 C ATOM 0 H LEU A 54 -3.366 3.436 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.704 2.682 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.698 1.481 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.869 0.372 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.845 0.687 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.468 0.715 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.405 -0.296 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.883 1.326 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.567 2.679 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.058 3.374 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.155 3.104 1.884 1.00 0.00 H new ATOM 838 N ALA A 55 -1.687 2.095 -3.606 1.00 0.00 N ATOM 839 CA ALA A 55 -2.210 1.653 -4.892 1.00 0.00 C ATOM 840 C ALA A 55 -1.628 0.307 -5.302 1.00 0.00 C ATOM 841 O ALA A 55 -0.414 0.144 -5.396 1.00 0.00 O ATOM 842 CB ALA A 55 -1.935 2.698 -5.963 1.00 0.00 C ATOM 0 H ALA A 55 -0.771 2.542 -3.648 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.288 1.529 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.332 2.353 -6.918 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.416 3.636 -5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.860 2.854 -6.052 1.00 0.00 H new ATOM 848 N VAL A 56 -2.508 -0.654 -5.550 1.00 0.00 N ATOM 849 CA VAL A 56 -2.091 -1.987 -5.955 1.00 0.00 C ATOM 850 C VAL A 56 -2.541 -2.288 -7.370 1.00 0.00 C ATOM 851 O VAL A 56 -3.653 -1.942 -7.767 1.00 0.00 O ATOM 852 CB VAL A 56 -2.632 -3.073 -5.012 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.608 -3.371 -3.938 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.961 -2.655 -4.398 1.00 0.00 C ATOM 0 H VAL A 56 -3.518 -0.533 -5.477 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.002 -2.000 -5.906 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.812 -3.980 -5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.994 -4.141 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.686 -3.722 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.405 -2.465 -3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.320 -3.443 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.825 -1.736 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.691 -2.487 -5.190 1.00 0.00 H new ATOM 864 N ASP A 57 -1.663 -2.925 -8.134 1.00 0.00 N ATOM 865 CA ASP A 57 -1.964 -3.261 -9.523 1.00 0.00 C ATOM 866 C ASP A 57 -2.564 -2.054 -10.244 1.00 0.00 C ATOM 867 O ASP A 57 -3.344 -2.201 -11.184 1.00 0.00 O ATOM 868 CB ASP A 57 -2.931 -4.445 -9.587 1.00 0.00 C ATOM 869 CG ASP A 57 -3.160 -4.930 -11.004 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.260 -5.596 -11.556 1.00 0.00 O ATOM 871 OD2 ASP A 57 -4.240 -4.644 -11.564 1.00 0.00 O ATOM 0 H ASP A 57 -0.739 -3.219 -7.818 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.035 -3.540 -10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.538 -5.264 -8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.885 -4.155 -9.147 1.00 0.00 H new ATOM 876 N GLY A 58 -2.200 -0.860 -9.778 1.00 0.00 N ATOM 877 CA GLY A 58 -2.716 0.361 -10.370 1.00 0.00 C ATOM 878 C GLY A 58 -4.162 0.612 -9.997 1.00 0.00 C ATOM 879 O GLY A 58 -4.949 1.084 -10.818 1.00 0.00 O ATOM 0 H GLY A 58 -1.556 -0.718 -9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.107 1.205 -10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.628 0.302 -11.455 1.00 0.00 H new ATOM 883 N GLU A 59 -4.517 0.290 -8.757 1.00 0.00 N ATOM 884 CA GLU A 59 -5.881 0.480 -8.283 1.00 0.00 C ATOM 885 C GLU A 59 -5.913 0.758 -6.782 1.00 0.00 C ATOM 886 O GLU A 59 -5.792 -0.158 -5.968 1.00 0.00 O ATOM 887 CB GLU A 59 -6.727 -0.756 -8.605 1.00 0.00 C ATOM 888 CG GLU A 59 -7.792 -0.503 -9.659 1.00 0.00 C ATOM 889 CD GLU A 59 -8.714 -1.690 -9.853 1.00 0.00 C ATOM 890 OE1 GLU A 59 -8.376 -2.579 -10.662 1.00 0.00 O ATOM 891 OE2 GLU A 59 -9.774 -1.732 -9.195 1.00 0.00 O ATOM 0 H GLU A 59 -3.880 -0.103 -8.064 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.298 1.346 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.071 -1.556 -8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.207 -1.106 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.382 0.368 -9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.310 -0.263 -10.607 1.00 0.00 H new ATOM 898 N LEU A 60 -6.083 2.028 -6.429 1.00 0.00 N ATOM 899 CA LEU A 60 -6.142 2.441 -5.024 1.00 0.00 C ATOM 900 C LEU A 60 -7.055 1.520 -4.221 1.00 0.00 C ATOM 901 O LEU A 60 -8.164 1.202 -4.650 1.00 0.00 O ATOM 902 CB LEU A 60 -6.642 3.886 -4.904 1.00 0.00 C ATOM 903 CG LEU A 60 -5.910 4.928 -5.760 1.00 0.00 C ATOM 904 CD1 LEU A 60 -4.433 4.585 -5.898 1.00 0.00 C ATOM 905 CD2 LEU A 60 -6.565 5.053 -7.128 1.00 0.00 C ATOM 0 H LEU A 60 -6.183 2.794 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.132 2.376 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.699 3.906 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.569 4.188 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.983 5.891 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.940 5.340 -6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.972 4.559 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.329 3.609 -6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.032 5.797 -7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.530 4.090 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.603 5.362 -7.007 1.00 0.00 H new ATOM 917 N LYS A 61 -6.577 1.091 -3.059 1.00 0.00 N ATOM 918 CA LYS A 61 -7.352 0.200 -2.203 1.00 0.00 C ATOM 919 C LYS A 61 -7.339 0.654 -0.743 1.00 0.00 C ATOM 920 O LYS A 61 -8.169 0.210 0.051 1.00 0.00 O ATOM 921 CB LYS A 61 -6.811 -1.228 -2.307 1.00 0.00 C ATOM 922 CG LYS A 61 -7.789 -2.285 -1.818 1.00 0.00 C ATOM 923 CD LYS A 61 -8.611 -2.858 -2.964 1.00 0.00 C ATOM 924 CE LYS A 61 -10.103 -2.726 -2.702 1.00 0.00 C ATOM 925 NZ LYS A 61 -10.678 -3.970 -2.121 1.00 0.00 N ATOM 0 H LYS A 61 -5.661 1.344 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.385 0.229 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.553 -1.436 -3.346 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.890 -1.302 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.242 -3.088 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.455 -1.849 -1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.356 -2.341 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.357 -3.909 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.280 -1.893 -2.022 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.616 -2.490 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.697 -3.838 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.533 -4.761 -2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.207 -4.181 -1.218 1.00 0.00 H new ATOM 939 N ILE A 62 -6.401 1.530 -0.380 1.00 0.00 N ATOM 940 CA ILE A 62 -6.313 2.009 0.997 1.00 0.00 C ATOM 941 C ILE A 62 -5.657 3.383 1.072 1.00 0.00 C ATOM 942 O ILE A 62 -4.463 3.523 0.813 1.00 0.00 O ATOM 943 CB ILE A 62 -5.516 1.033 1.888 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.983 -0.408 1.657 1.00 0.00 C ATOM 945 CG2 ILE A 62 -5.663 1.418 3.353 1.00 0.00 C ATOM 946 CD1 ILE A 62 -5.275 -1.425 2.526 1.00 0.00 C ATOM 0 H ILE A 62 -5.701 1.917 -1.012 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.338 2.077 1.362 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.462 1.096 1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.055 -0.467 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.827 -0.667 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.096 0.722 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.283 2.429 3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.715 1.380 3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.658 -2.421 2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.205 -1.395 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.451 -1.192 3.576 1.00 0.00 H new ATOM 958 N MET A 63 -6.439 4.397 1.432 1.00 0.00 N ATOM 959 CA MET A 63 -5.915 5.754 1.542 1.00 0.00 C ATOM 960 C MET A 63 -6.590 6.527 2.668 1.00 0.00 C ATOM 961 O MET A 63 -7.745 6.273 3.008 1.00 0.00 O ATOM 962 CB MET A 63 -6.063 6.494 0.206 1.00 0.00 C ATOM 963 CG MET A 63 -7.422 7.145 0.000 1.00 0.00 C ATOM 964 SD MET A 63 -8.792 6.000 0.253 1.00 0.00 S ATOM 965 CE MET A 63 -10.015 7.090 0.979 1.00 0.00 C ATOM 0 H MET A 63 -7.431 4.306 1.651 1.00 0.00 H new ATOM 0 HA MET A 63 -4.855 5.684 1.786 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.292 7.261 0.141 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.882 5.791 -0.607 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.525 7.985 0.687 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.476 7.551 -1.010 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.867 6.503 1.323 1.00 0.00 H new ATOM 0 HE2 MET A 63 -9.575 7.620 1.824 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.349 7.811 0.233 1.00 0.00 H new ATOM 975 N GLY A 64 -5.851 7.470 3.246 1.00 0.00 N ATOM 976 CA GLY A 64 -6.387 8.267 4.336 1.00 0.00 C ATOM 977 C GLY A 64 -6.266 7.573 5.677 1.00 0.00 C ATOM 978 O GLY A 64 -6.585 8.157 6.713 1.00 0.00 O ATOM 0 H GLY A 64 -4.893 7.696 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.862 9.221 4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.436 8.488 4.138 1.00 0.00 H new ATOM 982 N ARG A 65 -5.802 6.326 5.659 1.00 0.00 N ATOM 983 CA ARG A 65 -5.635 5.544 6.881 1.00 0.00 C ATOM 984 C ARG A 65 -5.225 4.115 6.546 1.00 0.00 C ATOM 985 O ARG A 65 -6.038 3.322 6.071 1.00 0.00 O ATOM 986 CB ARG A 65 -6.931 5.529 7.697 1.00 0.00 C ATOM 987 CG ARG A 65 -6.837 4.710 8.975 1.00 0.00 C ATOM 988 CD ARG A 65 -7.986 5.019 9.921 1.00 0.00 C ATOM 989 NE ARG A 65 -9.224 4.357 9.514 1.00 0.00 N ATOM 990 CZ ARG A 65 -9.419 3.043 9.585 1.00 0.00 C ATOM 991 NH1 ARG A 65 -8.462 2.246 10.044 1.00 0.00 N ATOM 992 NH2 ARG A 65 -10.576 2.523 9.198 1.00 0.00 N ATOM 0 H ARG A 65 -5.534 5.833 4.807 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.850 6.012 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.202 6.554 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.735 5.131 7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.843 3.648 8.729 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.889 4.917 9.472 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.720 4.702 10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.146 6.097 9.957 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.983 4.936 9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.571 2.640 10.345 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.618 1.239 10.096 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.316 3.131 8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -10.726 1.516 9.252 1.00 0.00 H new ATOM 1006 N VAL A 66 -3.961 3.789 6.797 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.453 2.451 6.519 1.00 0.00 C ATOM 1008 C VAL A 66 -4.317 1.392 7.207 1.00 0.00 C ATOM 1009 O VAL A 66 -4.766 1.584 8.337 1.00 0.00 O ATOM 1010 CB VAL A 66 -1.979 2.306 6.971 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.628 0.858 7.292 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.042 2.852 5.905 1.00 0.00 C ATOM 0 H VAL A 66 -3.272 4.430 7.191 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.498 2.298 5.441 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.856 2.887 7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.586 0.797 7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.270 0.498 8.096 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.777 0.242 6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.010 2.743 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.185 2.298 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.259 3.907 5.735 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.542 0.280 6.518 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.349 -0.806 7.065 1.00 0.00 C ATOM 1024 C ALA A 67 -4.492 -1.769 7.877 1.00 0.00 C ATOM 1025 O ALA A 67 -3.349 -2.055 7.517 1.00 0.00 O ATOM 1026 CB ALA A 67 -6.065 -1.547 5.946 1.00 0.00 C ATOM 0 H ALA A 67 -4.178 0.106 5.581 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.094 -0.373 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.663 -2.354 6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.715 -0.856 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.330 -1.963 5.256 1.00 0.00 H new ATOM 1032 N SER A 68 -5.049 -2.267 8.975 1.00 0.00 N ATOM 1033 CA SER A 68 -4.335 -3.198 9.841 1.00 0.00 C ATOM 1034 C SER A 68 -4.024 -4.497 9.104 1.00 0.00 C ATOM 1035 O SER A 68 -4.690 -4.843 8.128 1.00 0.00 O ATOM 1036 CB SER A 68 -5.158 -3.493 11.096 1.00 0.00 C ATOM 1037 OG SER A 68 -4.323 -3.900 12.168 1.00 0.00 O ATOM 0 H SER A 68 -5.994 -2.041 9.287 1.00 0.00 H new ATOM 0 HA SER A 68 -3.393 -2.734 10.134 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.719 -2.604 11.385 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.887 -4.274 10.882 1.00 0.00 H new ATOM 0 HG SER A 68 -4.872 -4.081 12.959 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.008 -5.211 9.577 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.606 -6.476 8.962 1.00 0.00 C ATOM 1045 C LYS A 69 -3.795 -7.423 8.814 1.00 0.00 C ATOM 1046 O LYS A 69 -3.839 -8.235 7.890 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.508 -7.143 9.794 1.00 0.00 C ATOM 1048 CG LYS A 69 -1.783 -7.131 11.289 1.00 0.00 C ATOM 1049 CD LYS A 69 -1.986 -8.537 11.835 1.00 0.00 C ATOM 1050 CE LYS A 69 -0.804 -8.984 12.681 1.00 0.00 C ATOM 1051 NZ LYS A 69 -1.012 -8.688 14.126 1.00 0.00 N ATOM 0 H LYS A 69 -2.447 -4.938 10.384 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.220 -6.257 7.966 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.390 -8.175 9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.562 -6.637 9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.951 -6.656 11.808 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.670 -6.530 11.491 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.896 -8.567 12.435 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.126 -9.233 11.008 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.647 -10.054 12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.100 -8.484 12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.184 -9.008 14.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.137 -7.664 14.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.861 -9.186 14.464 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.755 -7.314 9.726 1.00 0.00 N ATOM 1066 CA GLU A 70 -5.941 -8.161 9.692 1.00 0.00 C ATOM 1067 C GLU A 70 -6.767 -7.888 8.439 1.00 0.00 C ATOM 1068 O GLU A 70 -7.265 -8.814 7.797 1.00 0.00 O ATOM 1069 CB GLU A 70 -6.796 -7.930 10.940 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.522 -9.176 11.420 1.00 0.00 C ATOM 1071 CD GLU A 70 -9.008 -9.136 11.123 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -9.375 -8.815 9.974 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -9.805 -9.427 12.040 1.00 0.00 O ATOM 0 H GLU A 70 -4.735 -6.647 10.498 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.614 -9.201 9.672 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.159 -7.559 11.743 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.529 -7.151 10.729 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.084 -10.053 10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.373 -9.288 12.494 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.910 -6.611 8.098 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.677 -6.214 6.923 1.00 0.00 C ATOM 1082 C GLU A 71 -6.988 -6.670 5.641 1.00 0.00 C ATOM 1083 O GLU A 71 -7.639 -7.145 4.710 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.866 -4.697 6.903 1.00 0.00 C ATOM 1085 CG GLU A 71 -9.155 -4.252 6.231 1.00 0.00 C ATOM 1086 CD GLU A 71 -10.344 -4.289 7.172 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -10.279 -5.020 8.182 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -11.340 -3.587 6.897 1.00 0.00 O ATOM 0 H GLU A 71 -6.505 -5.834 8.619 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.653 -6.695 6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.853 -4.324 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.021 -4.241 6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.030 -3.239 5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.354 -4.895 5.373 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.669 -6.519 5.599 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.891 -6.913 4.432 1.00 0.00 C ATOM 1097 C ILE A 72 -5.071 -8.398 4.127 1.00 0.00 C ATOM 1098 O ILE A 72 -5.414 -8.774 3.006 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.391 -6.615 4.634 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.188 -5.145 5.004 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.602 -6.963 3.381 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -3.765 -4.181 3.989 1.00 0.00 C ATOM 0 H ILE A 72 -5.116 -6.126 6.361 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.260 -6.327 3.590 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.023 -7.234 5.452 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.647 -4.956 5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.121 -4.950 5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.546 -6.746 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.724 -8.023 3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.970 -6.370 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.584 -3.157 4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.288 -4.342 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.838 -4.349 3.897 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.840 -9.236 5.131 1.00 0.00 N ATOM 1115 CA LYS A 73 -4.978 -10.679 4.969 1.00 0.00 C ATOM 1116 C LYS A 73 -6.411 -11.049 4.596 1.00 0.00 C ATOM 1117 O LYS A 73 -6.642 -11.994 3.843 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.571 -11.399 6.255 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.074 -12.818 6.027 1.00 0.00 C ATOM 1120 CD LYS A 73 -2.554 -12.884 6.034 1.00 0.00 C ATOM 1121 CE LYS A 73 -2.050 -14.171 5.402 1.00 0.00 C ATOM 1122 NZ LYS A 73 -1.843 -15.244 6.414 1.00 0.00 N ATOM 0 H LYS A 73 -4.556 -8.942 6.065 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.318 -10.994 4.161 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.789 -10.824 6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.425 -11.426 6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.471 -13.473 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.451 -13.188 5.074 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.149 -12.029 5.493 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.190 -12.814 7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.765 -14.512 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.112 -13.977 4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.917 -15.692 6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.875 -14.832 7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.593 -15.959 6.320 1.00 0.00 H new ATOM 1136 N LYS A 74 -7.368 -10.296 5.129 1.00 0.00 N ATOM 1137 CA LYS A 74 -8.779 -10.545 4.851 1.00 0.00 C ATOM 1138 C LYS A 74 -9.141 -10.103 3.438 1.00 0.00 C ATOM 1139 O LYS A 74 -10.020 -10.685 2.801 1.00 0.00 O ATOM 1140 CB LYS A 74 -9.656 -9.814 5.869 1.00 0.00 C ATOM 1141 CG LYS A 74 -10.907 -10.584 6.259 1.00 0.00 C ATOM 1142 CD LYS A 74 -10.613 -11.615 7.337 1.00 0.00 C ATOM 1143 CE LYS A 74 -11.751 -11.711 8.340 1.00 0.00 C ATOM 1144 NZ LYS A 74 -11.859 -10.486 9.179 1.00 0.00 N ATOM 0 H LYS A 74 -7.193 -9.510 5.755 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.957 -11.617 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.068 -9.614 6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.948 -8.848 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.667 -9.889 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.318 -11.082 5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.450 -12.589 6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.691 -11.349 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.690 -11.871 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.596 -12.578 8.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.270 -10.732 10.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.913 -10.077 9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.469 -9.791 8.702 1.00 0.00 H new ATOM 1158 N ILE A 75 -8.455 -9.075 2.948 1.00 0.00 N ATOM 1159 CA ILE A 75 -8.700 -8.563 1.608 1.00 0.00 C ATOM 1160 C ILE A 75 -8.083 -9.491 0.568 1.00 0.00 C ATOM 1161 O ILE A 75 -8.644 -9.699 -0.508 1.00 0.00 O ATOM 1162 CB ILE A 75 -8.135 -7.131 1.440 1.00 0.00 C ATOM 1163 CG1 ILE A 75 -9.086 -6.109 2.066 1.00 0.00 C ATOM 1164 CG2 ILE A 75 -7.900 -6.800 -0.030 1.00 0.00 C ATOM 1165 CD1 ILE A 75 -10.447 -6.068 1.405 1.00 0.00 C ATOM 0 H ILE A 75 -7.725 -8.581 3.461 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.779 -8.522 1.458 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.175 -7.085 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.211 -6.341 3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.633 -5.119 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.503 -5.788 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.186 -7.507 -0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.842 -6.868 -0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.069 -5.322 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.333 -5.806 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.920 -7.046 1.486 1.00 0.00 H new ATOM 1177 N LEU A 76 -6.924 -10.045 0.902 1.00 0.00 N ATOM 1178 CA LEU A 76 -6.227 -10.951 0.002 1.00 0.00 C ATOM 1179 C LEU A 76 -6.819 -12.354 0.076 1.00 0.00 C ATOM 1180 O LEU A 76 -6.852 -13.079 -0.918 1.00 0.00 O ATOM 1181 CB LEU A 76 -4.735 -10.992 0.338 1.00 0.00 C ATOM 1182 CG LEU A 76 -3.872 -9.983 -0.422 1.00 0.00 C ATOM 1183 CD1 LEU A 76 -3.798 -10.348 -1.899 1.00 0.00 C ATOM 1184 CD2 LEU A 76 -4.420 -8.575 -0.243 1.00 0.00 C ATOM 0 H LEU A 76 -6.448 -9.882 1.789 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.351 -10.579 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.614 -10.818 1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.360 -11.995 0.134 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.862 -10.013 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.180 -9.619 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.360 -11.340 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.801 -10.346 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.795 -7.869 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.439 -8.530 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.419 -8.316 0.816 1.00 0.00 H new ATOM 1196 N SER A 77 -7.287 -12.731 1.262 1.00 0.00 N ATOM 1197 CA SER A 77 -7.878 -14.048 1.469 1.00 0.00 C ATOM 1198 C SER A 77 -6.869 -15.152 1.169 1.00 0.00 C ATOM 1199 O SER A 77 -5.807 -14.841 0.591 1.00 0.00 O ATOM 1200 CB SER A 77 -9.115 -14.219 0.585 1.00 0.00 C ATOM 1201 OG SER A 77 -10.043 -13.169 0.798 1.00 0.00 O ATOM 1202 OXT SER A 77 -7.148 -16.318 1.517 1.00 0.00 O ATOM 0 H SER A 77 -7.268 -12.142 2.095 1.00 0.00 H new ATOM 0 HA SER A 77 -8.173 -14.125 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.817 -14.238 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.589 -15.177 0.799 1.00 0.00 H new ATOM 0 HG SER A 77 -10.824 -13.300 0.220 1.00 0.00 H new TER 1208 SER A 77