USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 560 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 34 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.1!) USER MOD Single : A 8 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.32) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.6! C(o=-1.6!,f=-2.7!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.026 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.36 K(o=-1.4,f=-5.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0731) USER MOD Single : A 44 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-0.23) USER MOD Single : A 46 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.4!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.856 USER MOD Single : A 52 THR OG1 : rot 96:sc= 1.29 USER MOD Single : A 57 ASN : amide:sc= -0.532 X(o=-0.53,f=-0.17) USER MOD Single : A 60 THR OG1 : rot -79:sc= 0.669 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -10.6! C(o=-11!,f=-18!) USER MOD Single : A 72 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.38) USER MOD Single : A 74 GLN : amide:sc= -4.2! C(o=-4.2!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.584 -12.719 -6.880 1.00 0.00 N ATOM 2 CA LEU A 1 2.417 -11.356 -7.461 1.00 0.00 C ATOM 3 C LEU A 1 3.020 -10.321 -6.511 1.00 0.00 C ATOM 4 O LEU A 1 2.338 -9.755 -5.679 1.00 0.00 O ATOM 5 CB LEU A 1 0.927 -11.064 -7.657 1.00 0.00 C ATOM 6 CG LEU A 1 0.618 -10.956 -9.151 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.327 -9.732 -9.733 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.114 -12.215 -9.865 1.00 0.00 C ATOM 0 H1 LEU A 1 2.174 -13.424 -7.525 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.596 -12.918 -6.747 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.098 -12.767 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 1 2.926 -11.305 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.329 -11.857 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.658 -10.136 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 1 -0.458 -10.855 -9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.106 -9.656 -10.798 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.978 -8.833 -9.225 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.403 -9.834 -9.592 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.895 -12.140 -10.930 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.190 -12.314 -9.722 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.611 -13.089 -9.452 1.00 0.00 H new ATOM 22 N GLN A 2 4.294 -10.067 -6.631 1.00 0.00 N ATOM 23 CA GLN A 2 4.941 -9.065 -5.737 1.00 0.00 C ATOM 24 C GLN A 2 4.478 -7.665 -6.132 1.00 0.00 C ATOM 25 O GLN A 2 4.064 -7.429 -7.249 1.00 0.00 O ATOM 26 CB GLN A 2 6.461 -9.160 -5.880 1.00 0.00 C ATOM 27 CG GLN A 2 6.975 -10.361 -5.084 1.00 0.00 C ATOM 28 CD GLN A 2 7.597 -11.379 -6.041 1.00 0.00 C ATOM 29 OE1 GLN A 2 6.947 -12.319 -6.453 1.00 0.00 O ATOM 30 NE2 GLN A 2 8.839 -11.232 -6.413 1.00 0.00 N ATOM 0 H GLN A 2 4.915 -10.509 -7.309 1.00 0.00 H new ATOM 0 HA GLN A 2 4.662 -9.264 -4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.732 -9.264 -6.931 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.929 -8.244 -5.519 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.714 -10.036 -4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.157 -10.820 -4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.385 -10.443 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.264 -11.906 -7.050 1.00 0.00 H new ATOM 39 N CYS A 3 4.540 -6.736 -5.223 1.00 0.00 N ATOM 40 CA CYS A 3 4.099 -5.351 -5.547 1.00 0.00 C ATOM 41 C CYS A 3 4.729 -4.365 -4.562 1.00 0.00 C ATOM 42 O CYS A 3 5.071 -4.715 -3.450 1.00 0.00 O ATOM 43 CB CYS A 3 2.577 -5.269 -5.445 1.00 0.00 C ATOM 44 SG CYS A 3 1.843 -5.674 -7.048 1.00 0.00 S ATOM 0 H CYS A 3 4.876 -6.874 -4.270 1.00 0.00 H new ATOM 0 HA CYS A 3 4.413 -5.098 -6.560 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.215 -5.959 -4.683 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.276 -4.268 -5.138 1.00 0.00 H new ATOM 49 N TYR A 4 4.881 -3.132 -4.961 1.00 0.00 N ATOM 50 CA TYR A 4 5.485 -2.122 -4.047 1.00 0.00 C ATOM 51 C TYR A 4 4.413 -1.619 -3.077 1.00 0.00 C ATOM 52 O TYR A 4 3.251 -1.524 -3.419 1.00 0.00 O ATOM 53 CB TYR A 4 6.021 -0.943 -4.866 1.00 0.00 C ATOM 54 CG TYR A 4 7.363 -1.300 -5.465 1.00 0.00 C ATOM 55 CD1 TYR A 4 7.705 -2.643 -5.677 1.00 0.00 C ATOM 56 CD2 TYR A 4 8.264 -0.286 -5.812 1.00 0.00 C ATOM 57 CE1 TYR A 4 8.948 -2.969 -6.235 1.00 0.00 C ATOM 58 CE2 TYR A 4 9.507 -0.613 -6.369 1.00 0.00 C ATOM 59 CZ TYR A 4 9.849 -1.954 -6.580 1.00 0.00 C ATOM 60 OH TYR A 4 11.073 -2.274 -7.130 1.00 0.00 O ATOM 0 H TYR A 4 4.613 -2.780 -5.880 1.00 0.00 H new ATOM 0 HA TYR A 4 6.304 -2.577 -3.490 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.316 -0.688 -5.657 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.119 -0.063 -4.231 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.011 -3.426 -5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.001 0.749 -5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.211 -4.003 -6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 4 10.202 0.170 -6.636 1.00 0.00 H new ATOM 0 HH TYR A 4 11.575 -1.452 -7.311 1.00 0.00 H new ATOM 70 N ASN A 5 4.791 -1.298 -1.870 1.00 0.00 N ATOM 71 CA ASN A 5 3.786 -0.804 -0.885 1.00 0.00 C ATOM 72 C ASN A 5 4.471 0.108 0.134 1.00 0.00 C ATOM 73 O ASN A 5 5.157 -0.349 1.026 1.00 0.00 O ATOM 74 CB ASN A 5 3.160 -1.996 -0.158 1.00 0.00 C ATOM 75 CG ASN A 5 1.833 -1.571 0.474 1.00 0.00 C ATOM 76 OD1 ASN A 5 1.178 -0.668 -0.009 1.00 0.00 O ATOM 77 ND2 ASN A 5 1.406 -2.187 1.543 1.00 0.00 N ATOM 0 H ASN A 5 5.749 -1.356 -1.524 1.00 0.00 H new ATOM 0 HA ASN A 5 3.011 -0.245 -1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.996 -2.816 -0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.839 -2.364 0.611 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.523 -1.911 1.973 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.955 -2.945 1.949 1.00 0.00 H new ATOM 84 N CYS A 6 4.291 1.394 0.010 1.00 0.00 N ATOM 85 CA CYS A 6 4.933 2.331 0.974 1.00 0.00 C ATOM 86 C CYS A 6 3.908 2.762 2.028 1.00 0.00 C ATOM 87 O CYS A 6 2.718 2.622 1.828 1.00 0.00 O ATOM 88 CB CYS A 6 5.445 3.564 0.228 1.00 0.00 C ATOM 89 SG CYS A 6 7.254 3.543 0.203 1.00 0.00 S ATOM 0 H CYS A 6 3.728 1.836 -0.716 1.00 0.00 H new ATOM 0 HA CYS A 6 5.769 1.830 1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.056 3.574 -0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.088 4.472 0.715 1.00 0.00 H new ATOM 94 N PRO A 7 4.409 3.275 3.123 1.00 0.00 N ATOM 95 CA PRO A 7 3.568 3.741 4.240 1.00 0.00 C ATOM 96 C PRO A 7 2.964 5.113 3.925 1.00 0.00 C ATOM 97 O PRO A 7 2.162 5.634 4.675 1.00 0.00 O ATOM 98 CB PRO A 7 4.548 3.834 5.411 1.00 0.00 C ATOM 99 CG PRO A 7 5.959 3.973 4.790 1.00 0.00 C ATOM 100 CD PRO A 7 5.860 3.438 3.350 1.00 0.00 C ATOM 0 HA PRO A 7 2.725 3.081 4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.316 4.690 6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.486 2.946 6.040 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.284 5.013 4.795 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.693 3.407 5.364 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.299 4.134 2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.389 2.492 3.239 1.00 0.00 H new ATOM 108 N ASN A 8 3.342 5.703 2.824 1.00 0.00 N ATOM 109 CA ASN A 8 2.786 7.043 2.472 1.00 0.00 C ATOM 110 C ASN A 8 2.812 7.231 0.954 1.00 0.00 C ATOM 111 O ASN A 8 3.640 6.660 0.273 1.00 0.00 O ATOM 112 CB ASN A 8 3.616 8.148 3.137 1.00 0.00 C ATOM 113 CG ASN A 8 5.034 7.643 3.415 1.00 0.00 C ATOM 114 OD1 ASN A 8 5.822 7.477 2.505 1.00 0.00 O ATOM 115 ND2 ASN A 8 5.395 7.395 4.644 1.00 0.00 N ATOM 0 H ASN A 8 4.009 5.318 2.155 1.00 0.00 H new ATOM 0 HA ASN A 8 1.758 7.103 2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.654 9.025 2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.143 8.459 4.068 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.339 7.062 4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.734 7.534 5.408 1.00 0.00 H new ATOM 122 N PRO A 9 1.899 8.036 0.474 1.00 0.00 N ATOM 123 CA PRO A 9 1.781 8.334 -0.962 1.00 0.00 C ATOM 124 C PRO A 9 2.864 9.323 -1.384 1.00 0.00 C ATOM 125 O PRO A 9 2.642 10.514 -1.467 1.00 0.00 O ATOM 126 CB PRO A 9 0.386 8.949 -1.093 1.00 0.00 C ATOM 127 CG PRO A 9 0.012 9.482 0.312 1.00 0.00 C ATOM 128 CD PRO A 9 0.900 8.725 1.318 1.00 0.00 C ATOM 0 HA PRO A 9 1.907 7.457 -1.597 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.384 9.754 -1.828 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.336 8.206 -1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.182 10.557 0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.044 9.313 0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.376 9.408 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.319 8.015 1.907 1.00 0.00 H new ATOM 136 N THR A 10 4.035 8.827 -1.649 1.00 0.00 N ATOM 137 CA THR A 10 5.151 9.723 -2.066 1.00 0.00 C ATOM 138 C THR A 10 5.594 9.360 -3.485 1.00 0.00 C ATOM 139 O THR A 10 5.228 8.330 -4.016 1.00 0.00 O ATOM 140 CB THR A 10 6.330 9.558 -1.105 1.00 0.00 C ATOM 141 OG1 THR A 10 7.489 10.154 -1.674 1.00 0.00 O ATOM 142 CG2 THR A 10 6.588 8.071 -0.860 1.00 0.00 C ATOM 0 H THR A 10 4.272 7.836 -1.596 1.00 0.00 H new ATOM 0 HA THR A 10 4.810 10.758 -2.045 1.00 0.00 H new ATOM 0 HB THR A 10 6.097 10.044 -0.158 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.245 10.051 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.428 7.955 -0.175 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.699 7.614 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.821 7.581 -1.806 1.00 0.00 H new ATOM 150 N ALA A 11 6.378 10.200 -4.105 1.00 0.00 N ATOM 151 CA ALA A 11 6.843 9.907 -5.490 1.00 0.00 C ATOM 152 C ALA A 11 8.319 9.505 -5.462 1.00 0.00 C ATOM 153 O ALA A 11 9.118 9.990 -6.238 1.00 0.00 O ATOM 154 CB ALA A 11 6.672 11.153 -6.359 1.00 0.00 C ATOM 0 H ALA A 11 6.717 11.078 -3.711 1.00 0.00 H new ATOM 0 HA ALA A 11 6.253 9.090 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.012 10.939 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.620 11.439 -6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.261 11.970 -5.943 1.00 0.00 H new ATOM 160 N ASP A 12 8.684 8.619 -4.579 1.00 0.00 N ATOM 161 CA ASP A 12 10.106 8.181 -4.504 1.00 0.00 C ATOM 162 C ASP A 12 10.185 6.896 -3.683 1.00 0.00 C ATOM 163 O ASP A 12 11.168 6.625 -3.022 1.00 0.00 O ATOM 164 CB ASP A 12 10.946 9.271 -3.833 1.00 0.00 C ATOM 165 CG ASP A 12 12.088 9.691 -4.763 1.00 0.00 C ATOM 166 OD1 ASP A 12 12.129 9.202 -5.881 1.00 0.00 O ATOM 167 OD2 ASP A 12 12.902 10.496 -4.342 1.00 0.00 O ATOM 0 H ASP A 12 8.058 8.178 -3.905 1.00 0.00 H new ATOM 0 HA ASP A 12 10.490 8.003 -5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.321 10.132 -3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.349 8.903 -2.890 1.00 0.00 H new ATOM 172 N CYS A 13 9.152 6.105 -3.721 1.00 0.00 N ATOM 173 CA CYS A 13 9.153 4.835 -2.946 1.00 0.00 C ATOM 174 C CYS A 13 9.847 3.740 -3.757 1.00 0.00 C ATOM 175 O CYS A 13 9.404 3.371 -4.827 1.00 0.00 O ATOM 176 CB CYS A 13 7.711 4.416 -2.653 1.00 0.00 C ATOM 177 SG CYS A 13 7.713 2.905 -1.657 1.00 0.00 S ATOM 0 H CYS A 13 8.303 6.284 -4.258 1.00 0.00 H new ATOM 0 HA CYS A 13 9.687 4.984 -2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.190 5.213 -2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.173 4.249 -3.586 1.00 0.00 H new ATOM 182 N LYS A 14 10.931 3.216 -3.256 1.00 0.00 N ATOM 183 CA LYS A 14 11.652 2.144 -3.999 1.00 0.00 C ATOM 184 C LYS A 14 11.754 0.895 -3.121 1.00 0.00 C ATOM 185 O LYS A 14 12.794 0.273 -3.028 1.00 0.00 O ATOM 186 CB LYS A 14 13.058 2.631 -4.360 1.00 0.00 C ATOM 187 CG LYS A 14 13.694 3.300 -3.140 1.00 0.00 C ATOM 188 CD LYS A 14 13.775 4.811 -3.371 1.00 0.00 C ATOM 189 CE LYS A 14 15.001 5.133 -4.226 1.00 0.00 C ATOM 190 NZ LYS A 14 14.572 5.874 -5.448 1.00 0.00 N ATOM 0 H LYS A 14 11.349 3.483 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 14 11.106 1.903 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.672 1.793 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.009 3.336 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.105 3.089 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.691 2.894 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.870 5.162 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.838 5.332 -2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.710 5.732 -3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.514 4.213 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.405 6.094 -6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.911 5.287 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.101 6.758 -5.170 1.00 0.00 H new ATOM 204 N THR A 15 10.682 0.523 -2.475 1.00 0.00 N ATOM 205 CA THR A 15 10.717 -0.686 -1.603 1.00 0.00 C ATOM 206 C THR A 15 9.704 -1.713 -2.114 1.00 0.00 C ATOM 207 O THR A 15 8.509 -1.492 -2.076 1.00 0.00 O ATOM 208 CB THR A 15 10.366 -0.292 -0.165 1.00 0.00 C ATOM 209 OG1 THR A 15 9.759 -1.398 0.490 1.00 0.00 O ATOM 210 CG2 THR A 15 9.396 0.892 -0.179 1.00 0.00 C ATOM 0 H THR A 15 9.783 1.004 -2.513 1.00 0.00 H new ATOM 0 HA THR A 15 11.717 -1.120 -1.625 1.00 0.00 H new ATOM 0 HB THR A 15 11.274 -0.006 0.367 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.534 -1.150 1.411 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.147 1.171 0.845 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.863 1.739 -0.683 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.486 0.611 -0.709 1.00 0.00 H new ATOM 218 N ALA A 16 10.171 -2.836 -2.588 1.00 0.00 N ATOM 219 CA ALA A 16 9.236 -3.879 -3.098 1.00 0.00 C ATOM 220 C ALA A 16 8.831 -4.804 -1.949 1.00 0.00 C ATOM 221 O ALA A 16 9.507 -4.891 -0.943 1.00 0.00 O ATOM 222 CB ALA A 16 9.929 -4.695 -4.192 1.00 0.00 C ATOM 0 H ALA A 16 11.161 -3.076 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 16 8.347 -3.401 -3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.246 -5.458 -4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.218 -4.035 -5.010 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.818 -5.174 -3.781 1.00 0.00 H new ATOM 228 N VAL A 17 7.734 -5.496 -2.087 1.00 0.00 N ATOM 229 CA VAL A 17 7.294 -6.410 -0.996 1.00 0.00 C ATOM 230 C VAL A 17 6.113 -7.256 -1.477 1.00 0.00 C ATOM 231 O VAL A 17 5.246 -6.784 -2.184 1.00 0.00 O ATOM 232 CB VAL A 17 6.865 -5.584 0.217 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.749 -4.619 -0.190 1.00 0.00 C ATOM 234 CG2 VAL A 17 6.353 -6.519 1.316 1.00 0.00 C ATOM 0 H VAL A 17 7.125 -5.468 -2.905 1.00 0.00 H new ATOM 0 HA VAL A 17 8.120 -7.066 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 17 7.718 -5.017 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.443 -4.030 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.112 -3.953 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.896 -5.186 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.047 -5.931 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.500 -7.086 0.943 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.147 -7.207 1.607 1.00 0.00 H new ATOM 244 N ASN A 18 6.070 -8.502 -1.091 1.00 0.00 N ATOM 245 CA ASN A 18 4.942 -9.376 -1.519 1.00 0.00 C ATOM 246 C ASN A 18 3.636 -8.829 -0.940 1.00 0.00 C ATOM 247 O ASN A 18 3.580 -8.412 0.201 1.00 0.00 O ATOM 248 CB ASN A 18 5.174 -10.796 -0.996 1.00 0.00 C ATOM 249 CG ASN A 18 5.936 -11.616 -2.040 1.00 0.00 C ATOM 250 OD1 ASN A 18 5.366 -12.114 -2.991 1.00 0.00 O ATOM 251 ND2 ASN A 18 7.221 -11.763 -1.868 1.00 0.00 N ATOM 0 H ASN A 18 6.767 -8.952 -0.498 1.00 0.00 H new ATOM 0 HA ASN A 18 4.883 -9.394 -2.607 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.738 -10.762 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.219 -11.272 -0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.767 -12.304 -2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.680 -11.337 -1.063 1.00 0.00 H new ATOM 257 N CYS A 19 2.583 -8.826 -1.710 1.00 0.00 N ATOM 258 CA CYS A 19 1.287 -8.304 -1.192 1.00 0.00 C ATOM 259 C CYS A 19 0.390 -9.478 -0.792 1.00 0.00 C ATOM 260 O CYS A 19 -0.801 -9.475 -1.038 1.00 0.00 O ATOM 261 CB CYS A 19 0.597 -7.476 -2.276 1.00 0.00 C ATOM 262 SG CYS A 19 -0.117 -5.990 -1.532 1.00 0.00 S ATOM 0 H CYS A 19 2.564 -9.161 -2.673 1.00 0.00 H new ATOM 0 HA CYS A 19 1.470 -7.674 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.313 -7.201 -3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.183 -8.065 -2.758 1.00 0.00 H new ATOM 267 N SER A 20 0.954 -10.479 -0.174 1.00 0.00 N ATOM 268 CA SER A 20 0.140 -11.654 0.246 1.00 0.00 C ATOM 269 C SER A 20 -0.750 -12.103 -0.913 1.00 0.00 C ATOM 270 O SER A 20 -0.586 -11.677 -2.039 1.00 0.00 O ATOM 271 CB SER A 20 -0.734 -11.269 1.439 1.00 0.00 C ATOM 272 OG SER A 20 0.040 -10.518 2.364 1.00 0.00 O ATOM 0 H SER A 20 1.946 -10.534 0.059 1.00 0.00 H new ATOM 0 HA SER A 20 0.804 -12.470 0.530 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.590 -10.684 1.104 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.129 -12.164 1.920 1.00 0.00 H new ATOM 0 HG SER A 20 -0.518 -10.268 3.130 1.00 0.00 H new ATOM 278 N SER A 21 -1.694 -12.964 -0.646 1.00 0.00 N ATOM 279 CA SER A 21 -2.596 -13.444 -1.728 1.00 0.00 C ATOM 280 C SER A 21 -3.726 -12.435 -1.938 1.00 0.00 C ATOM 281 O SER A 21 -3.752 -11.381 -1.334 1.00 0.00 O ATOM 282 CB SER A 21 -3.189 -14.797 -1.334 1.00 0.00 C ATOM 283 OG SER A 21 -2.165 -15.783 -1.356 1.00 0.00 O ATOM 0 H SER A 21 -1.879 -13.356 0.277 1.00 0.00 H new ATOM 0 HA SER A 21 -2.028 -13.550 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.631 -14.737 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.988 -15.071 -2.022 1.00 0.00 H new ATOM 0 HG SER A 21 -2.542 -16.651 -1.102 1.00 0.00 H new ATOM 289 N ASP A 22 -4.660 -12.747 -2.795 1.00 0.00 N ATOM 290 CA ASP A 22 -5.786 -11.805 -3.046 1.00 0.00 C ATOM 291 C ASP A 22 -5.284 -10.629 -3.884 1.00 0.00 C ATOM 292 O ASP A 22 -5.694 -9.500 -3.698 1.00 0.00 O ATOM 293 CB ASP A 22 -6.328 -11.287 -1.712 1.00 0.00 C ATOM 294 CG ASP A 22 -7.826 -11.578 -1.623 1.00 0.00 C ATOM 295 OD1 ASP A 22 -8.591 -10.838 -2.220 1.00 0.00 O ATOM 296 OD2 ASP A 22 -8.184 -12.537 -0.959 1.00 0.00 O ATOM 0 H ASP A 22 -4.691 -13.614 -3.332 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.581 -12.323 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.804 -11.765 -0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.149 -10.215 -1.626 1.00 0.00 H new ATOM 301 N PHE A 23 -4.395 -10.885 -4.805 1.00 0.00 N ATOM 302 CA PHE A 23 -3.862 -9.783 -5.653 1.00 0.00 C ATOM 303 C PHE A 23 -3.318 -10.366 -6.957 1.00 0.00 C ATOM 304 O PHE A 23 -2.447 -11.214 -6.955 1.00 0.00 O ATOM 305 CB PHE A 23 -2.737 -9.065 -4.905 1.00 0.00 C ATOM 306 CG PHE A 23 -3.286 -8.470 -3.630 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.090 -7.326 -3.681 1.00 0.00 C ATOM 308 CD2 PHE A 23 -2.991 -9.066 -2.397 1.00 0.00 C ATOM 309 CE1 PHE A 23 -4.600 -6.777 -2.499 1.00 0.00 C ATOM 310 CE2 PHE A 23 -3.502 -8.516 -1.216 1.00 0.00 C ATOM 311 CZ PHE A 23 -4.306 -7.372 -1.267 1.00 0.00 C ATOM 0 H PHE A 23 -4.015 -11.810 -5.006 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.659 -9.074 -5.876 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.932 -9.764 -4.677 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.310 -8.282 -5.531 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.317 -6.867 -4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.370 -9.949 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.221 -5.894 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.276 -8.975 -0.265 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.700 -6.948 -0.355 1.00 0.00 H new ATOM 321 N ASP A 24 -3.824 -9.921 -8.074 1.00 0.00 N ATOM 322 CA ASP A 24 -3.337 -10.453 -9.376 1.00 0.00 C ATOM 323 C ASP A 24 -3.053 -9.290 -10.330 1.00 0.00 C ATOM 324 O ASP A 24 -2.917 -9.476 -11.522 1.00 0.00 O ATOM 325 CB ASP A 24 -4.406 -11.362 -9.988 1.00 0.00 C ATOM 326 CG ASP A 24 -4.621 -12.582 -9.089 1.00 0.00 C ATOM 327 OD1 ASP A 24 -4.081 -12.590 -7.996 1.00 0.00 O ATOM 328 OD2 ASP A 24 -5.323 -13.487 -9.510 1.00 0.00 O ATOM 0 H ASP A 24 -4.554 -9.212 -8.141 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.422 -11.023 -9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.341 -10.814 -10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.099 -11.681 -10.984 1.00 0.00 H new ATOM 333 N ALA A 25 -2.969 -8.091 -9.819 1.00 0.00 N ATOM 334 CA ALA A 25 -2.699 -6.927 -10.710 1.00 0.00 C ATOM 335 C ALA A 25 -2.063 -5.787 -9.910 1.00 0.00 C ATOM 336 O ALA A 25 -2.733 -5.081 -9.184 1.00 0.00 O ATOM 337 CB ALA A 25 -4.017 -6.441 -11.319 1.00 0.00 C ATOM 0 H ALA A 25 -3.075 -7.868 -8.829 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.014 -7.234 -11.500 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.824 -5.589 -11.972 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.469 -7.246 -11.898 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.697 -6.141 -10.522 1.00 0.00 H new ATOM 343 N CYS A 26 -0.779 -5.583 -10.050 1.00 0.00 N ATOM 344 CA CYS A 26 -0.130 -4.468 -9.305 1.00 0.00 C ATOM 345 C CYS A 26 -0.862 -3.179 -9.655 1.00 0.00 C ATOM 346 O CYS A 26 -1.420 -3.050 -10.722 1.00 0.00 O ATOM 347 CB CYS A 26 1.341 -4.349 -9.716 1.00 0.00 C ATOM 348 SG CYS A 26 2.360 -4.127 -8.237 1.00 0.00 S ATOM 0 H CYS A 26 -0.158 -6.135 -10.642 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.177 -4.657 -8.232 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.653 -5.243 -10.256 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.474 -3.505 -10.393 1.00 0.00 H new ATOM 353 N LEU A 27 -0.885 -2.227 -8.775 1.00 0.00 N ATOM 354 CA LEU A 27 -1.609 -0.970 -9.101 1.00 0.00 C ATOM 355 C LEU A 27 -0.705 0.241 -8.890 1.00 0.00 C ATOM 356 O LEU A 27 -0.120 0.425 -7.841 1.00 0.00 O ATOM 357 CB LEU A 27 -2.847 -0.847 -8.214 1.00 0.00 C ATOM 358 CG LEU A 27 -3.499 0.520 -8.426 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.754 0.354 -9.286 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.882 1.113 -7.066 1.00 0.00 C ATOM 0 H LEU A 27 -0.442 -2.259 -7.857 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.909 -1.002 -10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.556 -1.640 -8.451 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.570 -0.970 -7.167 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.800 1.188 -8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.221 1.327 -9.439 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.480 -0.073 -10.251 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.456 -0.310 -8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.347 2.088 -7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.584 0.448 -6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.988 1.226 -6.453 1.00 0.00 H new ATOM 372 N ILE A 28 -0.615 1.077 -9.883 1.00 0.00 N ATOM 373 CA ILE A 28 0.218 2.300 -9.765 1.00 0.00 C ATOM 374 C ILE A 28 -0.675 3.510 -10.038 1.00 0.00 C ATOM 375 O ILE A 28 -0.894 3.890 -11.172 1.00 0.00 O ATOM 376 CB ILE A 28 1.356 2.253 -10.786 1.00 0.00 C ATOM 377 CG1 ILE A 28 2.087 3.597 -10.791 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.786 1.979 -12.179 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.096 3.627 -11.941 1.00 0.00 C ATOM 0 H ILE A 28 -1.088 0.963 -10.780 1.00 0.00 H new ATOM 0 HA ILE A 28 0.651 2.368 -8.767 1.00 0.00 H new ATOM 0 HB ILE A 28 2.052 1.458 -10.518 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.371 4.412 -10.900 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.599 3.748 -9.841 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.599 1.946 -12.905 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.263 1.023 -12.176 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.090 2.773 -12.450 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.616 4.585 -11.944 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.819 2.822 -11.812 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.572 3.496 -12.888 1.00 0.00 H new ATOM 391 N THR A 29 -1.210 4.101 -9.007 1.00 0.00 N ATOM 392 CA THR A 29 -2.108 5.273 -9.200 1.00 0.00 C ATOM 393 C THR A 29 -1.323 6.567 -8.990 1.00 0.00 C ATOM 394 O THR A 29 -0.348 6.608 -8.268 1.00 0.00 O ATOM 395 CB THR A 29 -3.256 5.194 -8.187 1.00 0.00 C ATOM 396 OG1 THR A 29 -4.175 4.191 -8.596 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.975 6.544 -8.106 1.00 0.00 C ATOM 0 H THR A 29 -1.064 3.822 -8.037 1.00 0.00 H new ATOM 0 HA THR A 29 -2.510 5.264 -10.213 1.00 0.00 H new ATOM 0 HB THR A 29 -2.853 4.945 -7.205 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.909 4.137 -7.949 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.789 6.480 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.270 7.313 -7.790 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.378 6.801 -9.086 1.00 0.00 H new ATOM 405 N LYS A 30 -1.747 7.628 -9.618 1.00 0.00 N ATOM 406 CA LYS A 30 -1.037 8.926 -9.457 1.00 0.00 C ATOM 407 C LYS A 30 -2.062 10.058 -9.435 1.00 0.00 C ATOM 408 O LYS A 30 -2.345 10.676 -10.442 1.00 0.00 O ATOM 409 CB LYS A 30 -0.069 9.131 -10.625 1.00 0.00 C ATOM 410 CG LYS A 30 0.796 10.364 -10.360 1.00 0.00 C ATOM 411 CD LYS A 30 1.750 10.581 -11.536 1.00 0.00 C ATOM 412 CE LYS A 30 2.539 11.874 -11.321 1.00 0.00 C ATOM 413 NZ LYS A 30 3.837 11.558 -10.661 1.00 0.00 N ATOM 0 H LYS A 30 -2.557 7.651 -10.237 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.475 8.923 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.562 8.251 -10.747 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.625 9.256 -11.554 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.164 11.242 -10.224 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.362 10.233 -9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.433 9.736 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.188 10.636 -12.468 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.715 12.369 -12.276 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.964 12.566 -10.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.375 12.436 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.658 11.104 -9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.386 10.913 -11.265 1.00 0.00 H new ATOM 427 N ALA A 31 -2.623 10.333 -8.291 1.00 0.00 N ATOM 428 CA ALA A 31 -3.634 11.423 -8.199 1.00 0.00 C ATOM 429 C ALA A 31 -2.922 12.767 -8.038 1.00 0.00 C ATOM 430 O ALA A 31 -2.852 13.319 -6.958 1.00 0.00 O ATOM 431 CB ALA A 31 -4.542 11.175 -6.992 1.00 0.00 C ATOM 0 H ALA A 31 -2.425 9.850 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.236 11.439 -9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.282 11.972 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.050 10.218 -7.109 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.942 11.158 -6.082 1.00 0.00 H new ATOM 437 N GLY A 32 -2.389 13.298 -9.105 1.00 0.00 N ATOM 438 CA GLY A 32 -1.680 14.606 -9.013 1.00 0.00 C ATOM 439 C GLY A 32 -0.205 14.363 -8.692 1.00 0.00 C ATOM 440 O GLY A 32 0.539 13.840 -9.497 1.00 0.00 O ATOM 0 H GLY A 32 -2.414 12.882 -10.036 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.774 15.150 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.135 15.225 -8.240 1.00 0.00 H new ATOM 444 N LEU A 33 0.224 14.735 -7.516 1.00 0.00 N ATOM 445 CA LEU A 33 1.650 14.521 -7.142 1.00 0.00 C ATOM 446 C LEU A 33 1.745 13.360 -6.146 1.00 0.00 C ATOM 447 O LEU A 33 2.820 12.959 -5.746 1.00 0.00 O ATOM 448 CB LEU A 33 2.211 15.795 -6.505 1.00 0.00 C ATOM 449 CG LEU A 33 1.505 16.064 -5.173 1.00 0.00 C ATOM 450 CD1 LEU A 33 2.435 16.860 -4.256 1.00 0.00 C ATOM 451 CD2 LEU A 33 0.231 16.873 -5.426 1.00 0.00 C ATOM 0 H LEU A 33 -0.351 15.177 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 33 2.229 14.282 -8.034 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.284 15.690 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.072 16.641 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 33 1.248 15.116 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.934 17.052 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.345 16.288 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.690 17.808 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.272 17.065 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.490 17.821 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.433 16.310 -6.082 1.00 0.00 H new ATOM 463 N GLN A 34 0.627 12.815 -5.746 1.00 0.00 N ATOM 464 CA GLN A 34 0.652 11.681 -4.781 1.00 0.00 C ATOM 465 C GLN A 34 0.704 10.361 -5.554 1.00 0.00 C ATOM 466 O GLN A 34 -0.153 10.071 -6.364 1.00 0.00 O ATOM 467 CB GLN A 34 -0.614 11.717 -3.921 1.00 0.00 C ATOM 468 CG GLN A 34 -0.729 13.080 -3.238 1.00 0.00 C ATOM 469 CD GLN A 34 -2.190 13.535 -3.248 1.00 0.00 C ATOM 470 OE1 GLN A 34 -3.077 12.777 -2.908 1.00 0.00 O ATOM 471 NE2 GLN A 34 -2.479 14.749 -3.627 1.00 0.00 N ATOM 0 H GLN A 34 -0.303 13.108 -6.047 1.00 0.00 H new ATOM 0 HA GLN A 34 1.530 11.765 -4.140 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.492 11.534 -4.540 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.581 10.925 -3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.364 13.017 -2.213 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.106 13.811 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.734 15.385 -3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.450 15.062 -3.638 1.00 0.00 H new ATOM 480 N VAL A 35 1.705 9.558 -5.314 1.00 0.00 N ATOM 481 CA VAL A 35 1.807 8.260 -6.040 1.00 0.00 C ATOM 482 C VAL A 35 1.383 7.116 -5.116 1.00 0.00 C ATOM 483 O VAL A 35 2.054 6.800 -4.154 1.00 0.00 O ATOM 484 CB VAL A 35 3.253 8.038 -6.489 1.00 0.00 C ATOM 485 CG1 VAL A 35 3.418 6.601 -6.986 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.590 9.010 -7.624 1.00 0.00 C ATOM 0 H VAL A 35 2.455 9.744 -4.648 1.00 0.00 H new ATOM 0 HA VAL A 35 1.152 8.284 -6.911 1.00 0.00 H new ATOM 0 HB VAL A 35 3.925 8.212 -5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.448 6.443 -7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.178 5.907 -6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.746 6.427 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.620 8.852 -7.944 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.918 8.835 -8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.472 10.035 -7.272 1.00 0.00 H new ATOM 496 N TYR A 36 0.276 6.487 -5.405 1.00 0.00 N ATOM 497 CA TYR A 36 -0.187 5.359 -4.547 1.00 0.00 C ATOM 498 C TYR A 36 0.326 4.039 -5.129 1.00 0.00 C ATOM 499 O TYR A 36 -0.148 3.575 -6.146 1.00 0.00 O ATOM 500 CB TYR A 36 -1.718 5.330 -4.523 1.00 0.00 C ATOM 501 CG TYR A 36 -2.239 6.430 -3.631 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.028 6.373 -2.249 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.940 7.505 -4.189 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.518 7.392 -1.424 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.430 8.524 -3.365 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.219 8.468 -1.982 1.00 0.00 C ATOM 507 OH TYR A 36 -3.703 9.474 -1.169 1.00 0.00 O ATOM 0 H TYR A 36 -0.327 6.705 -6.198 1.00 0.00 H new ATOM 0 HA TYR A 36 0.194 5.493 -3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.109 5.453 -5.533 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.066 4.362 -4.163 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.487 5.543 -1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.103 7.548 -5.256 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.355 7.348 -0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.971 9.354 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.164 10.144 -1.716 1.00 0.00 H new ATOM 517 N ASN A 37 1.289 3.430 -4.494 1.00 0.00 N ATOM 518 CA ASN A 37 1.823 2.141 -5.019 1.00 0.00 C ATOM 519 C ASN A 37 1.309 0.983 -4.161 1.00 0.00 C ATOM 520 O ASN A 37 1.917 0.609 -3.178 1.00 0.00 O ATOM 521 CB ASN A 37 3.353 2.166 -4.978 1.00 0.00 C ATOM 522 CG ASN A 37 3.903 2.061 -6.402 1.00 0.00 C ATOM 523 OD1 ASN A 37 4.095 0.975 -6.913 1.00 0.00 O ATOM 524 ND2 ASN A 37 4.166 3.152 -7.068 1.00 0.00 N ATOM 0 H ASN A 37 1.728 3.767 -3.637 1.00 0.00 H new ATOM 0 HA ASN A 37 1.489 2.005 -6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.700 3.087 -4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.725 1.340 -4.371 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.533 3.094 -8.018 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.005 4.063 -6.639 1.00 0.00 H new ATOM 531 N LYS A 38 0.191 0.413 -4.527 1.00 0.00 N ATOM 532 CA LYS A 38 -0.365 -0.721 -3.734 1.00 0.00 C ATOM 533 C LYS A 38 -0.813 -1.834 -4.682 1.00 0.00 C ATOM 534 O LYS A 38 -1.100 -1.604 -5.838 1.00 0.00 O ATOM 535 CB LYS A 38 -1.570 -0.241 -2.919 1.00 0.00 C ATOM 536 CG LYS A 38 -1.212 1.038 -2.157 1.00 0.00 C ATOM 537 CD LYS A 38 -2.359 2.041 -2.284 1.00 0.00 C ATOM 538 CE LYS A 38 -3.014 2.244 -0.916 1.00 0.00 C ATOM 539 NZ LYS A 38 -2.186 3.181 -0.103 1.00 0.00 N ATOM 0 H LYS A 38 -0.361 0.684 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 38 0.404 -1.097 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.416 -0.055 -3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.878 -1.017 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.028 0.810 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.293 1.467 -2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.985 2.991 -2.664 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.095 1.679 -3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.021 2.644 -1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.111 1.288 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.631 3.320 0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.234 2.782 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.115 4.096 -0.593 1.00 0.00 H new ATOM 553 N CYS A 39 -0.885 -3.040 -4.193 1.00 0.00 N ATOM 554 CA CYS A 39 -1.326 -4.172 -5.058 1.00 0.00 C ATOM 555 C CYS A 39 -2.840 -4.084 -5.251 1.00 0.00 C ATOM 556 O CYS A 39 -3.556 -3.616 -4.389 1.00 0.00 O ATOM 557 CB CYS A 39 -0.973 -5.501 -4.387 1.00 0.00 C ATOM 558 SG CYS A 39 -1.684 -5.543 -2.724 1.00 0.00 S ATOM 0 H CYS A 39 -0.658 -3.292 -3.231 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.824 -4.116 -6.024 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.355 -6.333 -4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.109 -5.618 -4.335 1.00 0.00 H new ATOM 563 N TRP A 40 -3.337 -4.510 -6.380 1.00 0.00 N ATOM 564 CA TRP A 40 -4.798 -4.424 -6.619 1.00 0.00 C ATOM 565 C TRP A 40 -5.251 -5.609 -7.477 1.00 0.00 C ATOM 566 O TRP A 40 -4.459 -6.244 -8.145 1.00 0.00 O ATOM 567 CB TRP A 40 -5.083 -3.115 -7.349 1.00 0.00 C ATOM 568 CG TRP A 40 -6.459 -2.651 -7.028 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.581 -3.114 -7.612 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.877 -1.645 -6.064 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.669 -2.449 -7.072 1.00 0.00 N ATOM 572 CE2 TRP A 40 -8.285 -1.535 -6.112 1.00 0.00 C ATOM 573 CE3 TRP A 40 -6.176 -0.824 -5.163 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.976 -0.639 -5.295 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.867 0.078 -4.338 1.00 0.00 C ATOM 576 CH2 TRP A 40 -8.266 0.169 -4.404 1.00 0.00 C ATOM 0 H TRP A 40 -2.793 -4.912 -7.143 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.340 -4.452 -5.673 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.356 -2.358 -7.055 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.978 -3.257 -8.425 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.625 -3.877 -8.375 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.636 -2.615 -7.350 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.099 -0.888 -5.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.052 -0.571 -5.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.319 0.705 -3.650 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.793 0.863 -3.766 1.00 0.00 H new ATOM 587 N LYS A 41 -6.520 -5.915 -7.462 1.00 0.00 N ATOM 588 CA LYS A 41 -7.021 -7.058 -8.277 1.00 0.00 C ATOM 589 C LYS A 41 -7.334 -6.575 -9.694 1.00 0.00 C ATOM 590 O LYS A 41 -7.511 -5.397 -9.933 1.00 0.00 O ATOM 591 CB LYS A 41 -8.291 -7.625 -7.638 1.00 0.00 C ATOM 592 CG LYS A 41 -8.127 -7.650 -6.117 1.00 0.00 C ATOM 593 CD LYS A 41 -9.171 -8.587 -5.507 1.00 0.00 C ATOM 594 CE LYS A 41 -8.839 -10.033 -5.882 1.00 0.00 C ATOM 595 NZ LYS A 41 -9.914 -10.578 -6.759 1.00 0.00 N ATOM 0 H LYS A 41 -7.231 -5.423 -6.921 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.258 -7.836 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.152 -7.016 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.481 -8.631 -8.011 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.124 -7.986 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.243 -6.645 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.186 -8.475 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.166 -8.325 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.879 -10.075 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.746 -10.641 -4.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.568 -11.431 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.744 -10.821 -6.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.181 -9.863 -7.466 1.00 0.00 H new ATOM 609 N PHE A 42 -7.405 -7.474 -10.637 1.00 0.00 N ATOM 610 CA PHE A 42 -7.708 -7.063 -12.035 1.00 0.00 C ATOM 611 C PHE A 42 -9.214 -6.866 -12.188 1.00 0.00 C ATOM 612 O PHE A 42 -9.669 -6.065 -12.980 1.00 0.00 O ATOM 613 CB PHE A 42 -7.233 -8.147 -13.003 1.00 0.00 C ATOM 614 CG PHE A 42 -7.096 -7.557 -14.386 1.00 0.00 C ATOM 615 CD1 PHE A 42 -6.337 -6.396 -14.578 1.00 0.00 C ATOM 616 CD2 PHE A 42 -7.730 -8.167 -15.475 1.00 0.00 C ATOM 617 CE1 PHE A 42 -6.210 -5.846 -15.859 1.00 0.00 C ATOM 618 CE2 PHE A 42 -7.605 -7.616 -16.756 1.00 0.00 C ATOM 619 CZ PHE A 42 -6.845 -6.457 -16.948 1.00 0.00 C ATOM 0 H PHE A 42 -7.266 -8.475 -10.499 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.193 -6.129 -12.260 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.277 -8.552 -12.672 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.942 -8.974 -13.017 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.849 -5.925 -13.737 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.315 -9.062 -15.327 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.623 -4.952 -16.008 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.095 -8.086 -17.596 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.748 -6.033 -17.937 1.00 0.00 H new ATOM 629 N GLU A 43 -9.995 -7.594 -11.439 1.00 0.00 N ATOM 630 CA GLU A 43 -11.471 -7.449 -11.547 1.00 0.00 C ATOM 631 C GLU A 43 -11.891 -6.091 -10.987 1.00 0.00 C ATOM 632 O GLU A 43 -12.938 -5.569 -11.317 1.00 0.00 O ATOM 633 CB GLU A 43 -12.156 -8.564 -10.755 1.00 0.00 C ATOM 634 CG GLU A 43 -13.669 -8.486 -10.965 1.00 0.00 C ATOM 635 CD GLU A 43 -14.223 -9.889 -11.214 1.00 0.00 C ATOM 636 OE1 GLU A 43 -14.192 -10.323 -12.354 1.00 0.00 O ATOM 637 OE2 GLU A 43 -14.668 -10.507 -10.261 1.00 0.00 O ATOM 0 H GLU A 43 -9.674 -8.282 -10.758 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.766 -7.517 -12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.783 -9.536 -11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.920 -8.469 -9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.146 -8.045 -10.090 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.896 -7.838 -11.812 1.00 0.00 H new ATOM 644 N HIS A 44 -11.081 -5.512 -10.146 1.00 0.00 N ATOM 645 CA HIS A 44 -11.430 -4.185 -9.568 1.00 0.00 C ATOM 646 C HIS A 44 -10.616 -3.100 -10.273 1.00 0.00 C ATOM 647 O HIS A 44 -10.447 -2.007 -9.768 1.00 0.00 O ATOM 648 CB HIS A 44 -11.112 -4.180 -8.072 1.00 0.00 C ATOM 649 CG HIS A 44 -11.890 -5.268 -7.388 1.00 0.00 C ATOM 650 ND1 HIS A 44 -11.836 -5.464 -6.016 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.744 -6.229 -7.869 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.635 -6.505 -5.724 1.00 0.00 C ATOM 653 NE2 HIS A 44 -13.213 -7.009 -6.817 1.00 0.00 N ATOM 0 H HIS A 44 -10.191 -5.901 -9.834 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.493 -3.991 -9.708 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.044 -4.330 -7.916 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.364 -3.212 -7.640 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -13.011 -6.360 -8.907 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.791 -6.887 -4.726 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -13.859 -7.796 -6.869 1.00 0.00 H new ATOM 661 N CYS A 45 -10.110 -3.394 -11.440 1.00 0.00 N ATOM 662 CA CYS A 45 -9.307 -2.381 -12.183 1.00 0.00 C ATOM 663 C CYS A 45 -10.229 -1.571 -13.096 1.00 0.00 C ATOM 664 O CYS A 45 -10.229 -1.740 -14.300 1.00 0.00 O ATOM 665 CB CYS A 45 -8.248 -3.089 -13.033 1.00 0.00 C ATOM 666 SG CYS A 45 -6.894 -3.655 -11.972 1.00 0.00 S ATOM 0 H CYS A 45 -10.218 -4.292 -11.911 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.818 -1.715 -11.472 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.693 -3.936 -13.554 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.866 -2.410 -13.796 1.00 0.00 H new ATOM 671 N ASN A 46 -11.014 -0.692 -12.537 1.00 0.00 N ATOM 672 CA ASN A 46 -11.933 0.125 -13.379 1.00 0.00 C ATOM 673 C ASN A 46 -11.949 1.565 -12.865 1.00 0.00 C ATOM 674 O ASN A 46 -11.288 1.898 -11.903 1.00 0.00 O ATOM 675 CB ASN A 46 -13.346 -0.456 -13.307 1.00 0.00 C ATOM 676 CG ASN A 46 -13.269 -1.976 -13.158 1.00 0.00 C ATOM 677 OD1 ASN A 46 -12.608 -2.642 -13.932 1.00 0.00 O ATOM 678 ND2 ASN A 46 -13.919 -2.558 -12.188 1.00 0.00 N ATOM 0 H ASN A 46 -11.059 -0.504 -11.535 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.587 0.110 -14.412 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.885 -0.025 -12.463 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.903 -0.197 -14.207 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.873 -3.571 -12.079 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -14.473 -2.000 -11.539 1.00 0.00 H new ATOM 685 N PHE A 47 -12.704 2.420 -13.499 1.00 0.00 N ATOM 686 CA PHE A 47 -12.765 3.837 -13.045 1.00 0.00 C ATOM 687 C PHE A 47 -13.822 3.971 -11.946 1.00 0.00 C ATOM 688 O PHE A 47 -14.617 4.890 -11.944 1.00 0.00 O ATOM 689 CB PHE A 47 -13.139 4.736 -14.224 1.00 0.00 C ATOM 690 CG PHE A 47 -12.421 6.058 -14.094 1.00 0.00 C ATOM 691 CD1 PHE A 47 -12.291 6.659 -12.836 1.00 0.00 C ATOM 692 CD2 PHE A 47 -11.887 6.682 -15.227 1.00 0.00 C ATOM 693 CE1 PHE A 47 -11.628 7.884 -12.712 1.00 0.00 C ATOM 694 CE2 PHE A 47 -11.224 7.909 -15.103 1.00 0.00 C ATOM 695 CZ PHE A 47 -11.093 8.510 -13.845 1.00 0.00 C ATOM 0 H PHE A 47 -13.280 2.198 -14.311 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.792 4.137 -12.656 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.869 4.254 -15.163 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.217 4.896 -14.246 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -12.703 6.177 -11.962 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.986 6.217 -16.197 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.528 8.348 -11.742 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.814 8.392 -15.978 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.580 9.455 -13.748 1.00 0.00 H new ATOM 705 N ASN A 48 -13.837 3.061 -11.011 1.00 0.00 N ATOM 706 CA ASN A 48 -14.840 3.133 -9.912 1.00 0.00 C ATOM 707 C ASN A 48 -14.431 2.177 -8.790 1.00 0.00 C ATOM 708 O ASN A 48 -14.600 2.466 -7.622 1.00 0.00 O ATOM 709 CB ASN A 48 -16.217 2.730 -10.446 1.00 0.00 C ATOM 710 CG ASN A 48 -17.304 3.265 -9.512 1.00 0.00 C ATOM 711 OD1 ASN A 48 -17.440 4.460 -9.341 1.00 0.00 O ATOM 712 ND2 ASN A 48 -18.088 2.423 -8.896 1.00 0.00 N ATOM 0 H ASN A 48 -13.196 2.269 -10.961 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.885 4.152 -9.528 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.359 3.127 -11.451 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.287 1.645 -10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.816 2.768 -8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.973 1.420 -9.040 1.00 0.00 H new ATOM 719 N ASP A 49 -13.892 1.040 -9.136 1.00 0.00 N ATOM 720 CA ASP A 49 -13.471 0.067 -8.091 1.00 0.00 C ATOM 721 C ASP A 49 -12.235 0.603 -7.365 1.00 0.00 C ATOM 722 O ASP A 49 -11.909 0.173 -6.276 1.00 0.00 O ATOM 723 CB ASP A 49 -13.139 -1.273 -8.749 1.00 0.00 C ATOM 724 CG ASP A 49 -14.200 -2.307 -8.367 1.00 0.00 C ATOM 725 OD1 ASP A 49 -14.649 -2.274 -7.233 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.547 -3.112 -9.214 1.00 0.00 O ATOM 0 H ASP A 49 -13.725 0.744 -10.098 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.280 -0.072 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.101 -1.159 -9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.154 -1.613 -8.430 1.00 0.00 H new ATOM 731 N VAL A 50 -11.545 1.539 -7.957 1.00 0.00 N ATOM 732 CA VAL A 50 -10.334 2.101 -7.297 1.00 0.00 C ATOM 733 C VAL A 50 -10.671 3.468 -6.697 1.00 0.00 C ATOM 734 O VAL A 50 -10.092 3.885 -5.713 1.00 0.00 O ATOM 735 CB VAL A 50 -9.216 2.259 -8.330 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.095 3.121 -7.748 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.658 0.880 -8.689 1.00 0.00 C ATOM 0 H VAL A 50 -11.768 1.938 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.004 1.427 -6.506 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.616 2.739 -9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.301 3.232 -8.486 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.489 4.104 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.695 2.643 -6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.861 0.990 -9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.261 0.404 -7.793 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.454 0.263 -9.106 1.00 0.00 H new ATOM 747 N THR A 51 -11.605 4.170 -7.280 1.00 0.00 N ATOM 748 CA THR A 51 -11.976 5.508 -6.740 1.00 0.00 C ATOM 749 C THR A 51 -12.935 5.334 -5.560 1.00 0.00 C ATOM 750 O THR A 51 -13.212 6.266 -4.831 1.00 0.00 O ATOM 751 CB THR A 51 -12.659 6.331 -7.836 1.00 0.00 C ATOM 752 OG1 THR A 51 -13.210 5.454 -8.812 1.00 0.00 O ATOM 753 CG2 THR A 51 -11.634 7.259 -8.491 1.00 0.00 C ATOM 0 H THR A 51 -12.126 3.875 -8.106 1.00 0.00 H new ATOM 0 HA THR A 51 -11.077 6.026 -6.405 1.00 0.00 H new ATOM 0 HB THR A 51 -13.458 6.931 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.649 5.979 -9.513 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.120 7.845 -9.271 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.218 7.930 -7.739 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.833 6.664 -8.930 1.00 0.00 H new ATOM 761 N THR A 52 -13.444 4.148 -5.365 1.00 0.00 N ATOM 762 CA THR A 52 -14.383 3.915 -4.235 1.00 0.00 C ATOM 763 C THR A 52 -13.627 3.287 -3.064 1.00 0.00 C ATOM 764 O THR A 52 -13.792 3.678 -1.925 1.00 0.00 O ATOM 765 CB THR A 52 -15.486 2.960 -4.685 1.00 0.00 C ATOM 766 OG1 THR A 52 -16.195 3.534 -5.776 1.00 0.00 O ATOM 767 CG2 THR A 52 -16.442 2.705 -3.522 1.00 0.00 C ATOM 0 H THR A 52 -13.249 3.330 -5.942 1.00 0.00 H new ATOM 0 HA THR A 52 -14.818 4.865 -3.924 1.00 0.00 H new ATOM 0 HB THR A 52 -15.045 2.015 -5.002 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.829 3.194 -6.619 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.230 2.023 -3.842 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.894 2.262 -2.691 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.886 3.648 -3.202 1.00 0.00 H new ATOM 775 N ARG A 53 -12.799 2.316 -3.333 1.00 0.00 N ATOM 776 CA ARG A 53 -12.033 1.666 -2.236 1.00 0.00 C ATOM 777 C ARG A 53 -11.186 2.721 -1.529 1.00 0.00 C ATOM 778 O ARG A 53 -11.194 2.834 -0.319 1.00 0.00 O ATOM 779 CB ARG A 53 -11.118 0.588 -2.819 1.00 0.00 C ATOM 780 CG ARG A 53 -11.884 -0.732 -2.932 1.00 0.00 C ATOM 781 CD ARG A 53 -11.117 -1.832 -2.197 1.00 0.00 C ATOM 782 NE ARG A 53 -12.028 -2.981 -1.933 1.00 0.00 N ATOM 783 CZ ARG A 53 -11.638 -3.956 -1.159 1.00 0.00 C ATOM 784 NH1 ARG A 53 -10.415 -4.401 -1.239 1.00 0.00 N ATOM 785 NH2 ARG A 53 -12.472 -4.486 -0.307 1.00 0.00 N ATOM 0 H ARG A 53 -12.620 1.945 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.723 1.208 -1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.757 0.895 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.242 0.458 -2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.882 -0.623 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.012 -1.002 -3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.266 -2.159 -2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.718 -1.447 -1.258 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.955 -3.005 -2.357 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.764 -3.987 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.109 -5.163 -0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.429 -4.138 -0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.167 -5.248 0.298 1.00 0.00 H new ATOM 799 N LEU A 54 -10.456 3.499 -2.278 1.00 0.00 N ATOM 800 CA LEU A 54 -9.610 4.551 -1.657 1.00 0.00 C ATOM 801 C LEU A 54 -10.497 5.708 -1.193 1.00 0.00 C ATOM 802 O LEU A 54 -10.044 6.627 -0.541 1.00 0.00 O ATOM 803 CB LEU A 54 -8.598 5.055 -2.684 1.00 0.00 C ATOM 804 CG LEU A 54 -7.892 3.857 -3.312 1.00 0.00 C ATOM 805 CD1 LEU A 54 -7.170 4.295 -4.588 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.877 3.288 -2.320 1.00 0.00 C ATOM 0 H LEU A 54 -10.410 3.450 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.079 4.139 -0.799 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.101 5.641 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.872 5.712 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.628 3.092 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.667 3.437 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.894 4.699 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.434 5.061 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.372 2.432 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.142 4.054 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.392 2.972 -1.413 1.00 0.00 H new ATOM 818 N ARG A 55 -11.761 5.672 -1.525 1.00 0.00 N ATOM 819 CA ARG A 55 -12.674 6.770 -1.102 1.00 0.00 C ATOM 820 C ARG A 55 -12.220 8.082 -1.743 1.00 0.00 C ATOM 821 O ARG A 55 -12.237 9.126 -1.122 1.00 0.00 O ATOM 822 CB ARG A 55 -12.646 6.912 0.423 1.00 0.00 C ATOM 823 CG ARG A 55 -12.353 5.554 1.065 1.00 0.00 C ATOM 824 CD ARG A 55 -13.166 5.410 2.354 1.00 0.00 C ATOM 825 NE ARG A 55 -14.351 4.543 2.101 1.00 0.00 N ATOM 826 CZ ARG A 55 -15.441 5.060 1.603 1.00 0.00 C ATOM 827 NH1 ARG A 55 -16.224 5.784 2.357 1.00 0.00 N ATOM 828 NH2 ARG A 55 -15.749 4.853 0.353 1.00 0.00 N ATOM 0 H ARG A 55 -12.199 4.929 -2.070 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.690 6.536 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.885 7.635 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.603 7.294 0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.605 4.751 0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.289 5.465 1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.547 4.978 3.140 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.488 6.391 2.705 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.310 3.547 2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.984 5.945 3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.076 6.188 1.968 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -15.138 4.287 -0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.601 5.257 -0.036 1.00 0.00 H new ATOM 842 N GLU A 56 -11.811 8.039 -2.982 1.00 0.00 N ATOM 843 CA GLU A 56 -11.354 9.285 -3.659 1.00 0.00 C ATOM 844 C GLU A 56 -12.139 9.478 -4.958 1.00 0.00 C ATOM 845 O GLU A 56 -13.157 8.852 -5.177 1.00 0.00 O ATOM 846 CB GLU A 56 -9.860 9.177 -3.974 1.00 0.00 C ATOM 847 CG GLU A 56 -9.070 10.051 -2.998 1.00 0.00 C ATOM 848 CD GLU A 56 -8.671 11.355 -3.692 1.00 0.00 C ATOM 849 OE1 GLU A 56 -7.915 11.288 -4.647 1.00 0.00 O ATOM 850 OE2 GLU A 56 -9.127 12.399 -3.255 1.00 0.00 O ATOM 0 H GLU A 56 -11.774 7.195 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.525 10.138 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.535 8.140 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.669 9.494 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.672 10.266 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.181 9.521 -2.656 1.00 0.00 H new ATOM 857 N ASN A 57 -11.675 10.339 -5.821 1.00 0.00 N ATOM 858 CA ASN A 57 -12.398 10.569 -7.102 1.00 0.00 C ATOM 859 C ASN A 57 -11.406 10.999 -8.185 1.00 0.00 C ATOM 860 O ASN A 57 -11.253 10.341 -9.195 1.00 0.00 O ATOM 861 CB ASN A 57 -13.446 11.667 -6.906 1.00 0.00 C ATOM 862 CG ASN A 57 -14.747 11.261 -7.599 1.00 0.00 C ATOM 863 OD1 ASN A 57 -15.355 12.055 -8.290 1.00 0.00 O ATOM 864 ND2 ASN A 57 -15.206 10.048 -7.444 1.00 0.00 N ATOM 0 H ASN A 57 -10.828 10.892 -5.694 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.889 9.646 -7.409 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.623 11.829 -5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.082 12.609 -7.316 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -16.073 9.768 -7.902 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.697 9.380 -6.865 1.00 0.00 H new ATOM 871 N GLU A 58 -10.731 12.099 -7.985 1.00 0.00 N ATOM 872 CA GLU A 58 -9.751 12.567 -9.008 1.00 0.00 C ATOM 873 C GLU A 58 -8.432 11.811 -8.835 1.00 0.00 C ATOM 874 O GLU A 58 -7.738 11.973 -7.851 1.00 0.00 O ATOM 875 CB GLU A 58 -9.508 14.068 -8.832 1.00 0.00 C ATOM 876 CG GLU A 58 -9.062 14.352 -7.395 1.00 0.00 C ATOM 877 CD GLU A 58 -7.755 15.146 -7.415 1.00 0.00 C ATOM 878 OE1 GLU A 58 -7.397 15.634 -8.475 1.00 0.00 O ATOM 879 OE2 GLU A 58 -7.134 15.254 -6.370 1.00 0.00 O ATOM 0 H GLU A 58 -10.815 12.693 -7.160 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.148 12.378 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.746 14.408 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.419 14.623 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.833 14.914 -6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.923 13.416 -6.854 1.00 0.00 H new ATOM 886 N LEU A 59 -8.081 10.986 -9.785 1.00 0.00 N ATOM 887 CA LEU A 59 -6.806 10.219 -9.675 1.00 0.00 C ATOM 888 C LEU A 59 -6.682 9.257 -10.859 1.00 0.00 C ATOM 889 O LEU A 59 -7.601 9.092 -11.637 1.00 0.00 O ATOM 890 CB LEU A 59 -6.807 9.417 -8.372 1.00 0.00 C ATOM 891 CG LEU A 59 -8.011 8.473 -8.356 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.547 7.048 -8.664 1.00 0.00 C ATOM 893 CD2 LEU A 59 -8.666 8.506 -6.973 1.00 0.00 C ATOM 0 H LEU A 59 -8.622 10.810 -10.632 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.965 10.913 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.883 8.846 -8.283 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.849 10.092 -7.517 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.732 8.792 -9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.405 6.376 -8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.079 7.022 -9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.826 6.729 -7.911 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.524 7.834 -6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.944 8.187 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.997 9.521 -6.751 1.00 0.00 H new ATOM 905 N THR A 60 -5.553 8.619 -10.999 1.00 0.00 N ATOM 906 CA THR A 60 -5.366 7.663 -12.128 1.00 0.00 C ATOM 907 C THR A 60 -5.122 6.261 -11.563 1.00 0.00 C ATOM 908 O THR A 60 -5.225 6.038 -10.374 1.00 0.00 O ATOM 909 CB THR A 60 -4.164 8.097 -12.968 1.00 0.00 C ATOM 910 OG1 THR A 60 -3.076 8.406 -12.109 1.00 0.00 O ATOM 911 CG2 THR A 60 -4.534 9.331 -13.791 1.00 0.00 C ATOM 0 H THR A 60 -4.749 8.718 -10.379 1.00 0.00 H new ATOM 0 HA THR A 60 -6.257 7.653 -12.755 1.00 0.00 H new ATOM 0 HB THR A 60 -3.878 7.288 -13.640 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.207 9.297 -11.723 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.677 9.640 -14.389 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.369 9.092 -14.450 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.820 10.142 -13.122 1.00 0.00 H new ATOM 919 N TYR A 61 -4.799 5.312 -12.400 1.00 0.00 N ATOM 920 CA TYR A 61 -4.554 3.933 -11.890 1.00 0.00 C ATOM 921 C TYR A 61 -4.203 2.999 -13.049 1.00 0.00 C ATOM 922 O TYR A 61 -4.964 2.838 -13.983 1.00 0.00 O ATOM 923 CB TYR A 61 -5.814 3.420 -11.192 1.00 0.00 C ATOM 924 CG TYR A 61 -6.887 3.162 -12.223 1.00 0.00 C ATOM 925 CD1 TYR A 61 -7.573 4.236 -12.799 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.194 1.850 -12.602 1.00 0.00 C ATOM 927 CE1 TYR A 61 -8.567 3.998 -13.756 1.00 0.00 C ATOM 928 CE2 TYR A 61 -8.188 1.611 -13.558 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.874 2.686 -14.135 1.00 0.00 C ATOM 930 OH TYR A 61 -9.853 2.453 -15.079 1.00 0.00 O ATOM 0 H TYR A 61 -4.695 5.431 -13.408 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.723 3.956 -11.185 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.593 2.504 -10.644 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.163 4.151 -10.463 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.336 5.248 -12.506 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.663 1.021 -12.156 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.097 4.827 -14.202 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.425 0.599 -13.850 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.941 1.488 -15.228 1.00 0.00 H new ATOM 940 N TYR A 62 -3.058 2.372 -12.991 1.00 0.00 N ATOM 941 CA TYR A 62 -2.663 1.438 -14.084 1.00 0.00 C ATOM 942 C TYR A 62 -2.356 0.064 -13.483 1.00 0.00 C ATOM 943 O TYR A 62 -1.408 -0.101 -12.740 1.00 0.00 O ATOM 944 CB TYR A 62 -1.422 1.976 -14.798 1.00 0.00 C ATOM 945 CG TYR A 62 -0.978 0.987 -15.850 1.00 0.00 C ATOM 946 CD1 TYR A 62 -1.931 0.304 -16.617 1.00 0.00 C ATOM 947 CD2 TYR A 62 0.386 0.752 -16.059 1.00 0.00 C ATOM 948 CE1 TYR A 62 -1.519 -0.613 -17.590 1.00 0.00 C ATOM 949 CE2 TYR A 62 0.797 -0.166 -17.033 1.00 0.00 C ATOM 950 CZ TYR A 62 -0.155 -0.848 -17.799 1.00 0.00 C ATOM 951 OH TYR A 62 0.251 -1.753 -18.759 1.00 0.00 O ATOM 0 H TYR A 62 -2.380 2.467 -12.235 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.478 1.350 -14.803 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.643 2.939 -15.259 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.620 2.143 -14.079 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.984 0.485 -16.457 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.121 1.279 -15.469 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.254 -1.140 -18.180 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.849 -0.348 -17.193 1.00 0.00 H new ATOM 0 HH TYR A 62 1.230 -1.796 -18.775 1.00 0.00 H new ATOM 961 N CYS A 63 -3.152 -0.925 -13.791 1.00 0.00 N ATOM 962 CA CYS A 63 -2.907 -2.283 -13.228 1.00 0.00 C ATOM 963 C CYS A 63 -1.830 -2.999 -14.049 1.00 0.00 C ATOM 964 O CYS A 63 -1.649 -2.733 -15.221 1.00 0.00 O ATOM 965 CB CYS A 63 -4.207 -3.090 -13.261 1.00 0.00 C ATOM 966 SG CYS A 63 -5.450 -2.266 -12.230 1.00 0.00 S ATOM 0 H CYS A 63 -3.961 -0.850 -14.408 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.565 -2.191 -12.197 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.568 -3.178 -14.286 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.030 -4.102 -12.898 1.00 0.00 H new ATOM 971 N CYS A 64 -1.112 -3.905 -13.439 1.00 0.00 N ATOM 972 CA CYS A 64 -0.043 -4.640 -14.177 1.00 0.00 C ATOM 973 C CYS A 64 -0.098 -6.124 -13.813 1.00 0.00 C ATOM 974 O CYS A 64 -0.502 -6.492 -12.729 1.00 0.00 O ATOM 975 CB CYS A 64 1.326 -4.081 -13.785 1.00 0.00 C ATOM 976 SG CYS A 64 2.186 -3.486 -15.261 1.00 0.00 S ATOM 0 H CYS A 64 -1.220 -4.168 -12.459 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.198 -4.518 -15.249 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.206 -3.268 -13.069 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.918 -4.853 -13.294 1.00 0.00 H new ATOM 981 N LYS A 65 0.311 -6.982 -14.707 1.00 0.00 N ATOM 982 CA LYS A 65 0.284 -8.441 -14.404 1.00 0.00 C ATOM 983 C LYS A 65 1.719 -8.960 -14.259 1.00 0.00 C ATOM 984 O LYS A 65 1.995 -10.119 -14.496 1.00 0.00 O ATOM 985 CB LYS A 65 -0.416 -9.187 -15.543 1.00 0.00 C ATOM 986 CG LYS A 65 -1.348 -10.252 -14.961 1.00 0.00 C ATOM 987 CD LYS A 65 -2.712 -10.170 -15.651 1.00 0.00 C ATOM 988 CE LYS A 65 -3.406 -11.532 -15.575 1.00 0.00 C ATOM 989 NZ LYS A 65 -4.859 -11.335 -15.304 1.00 0.00 N ATOM 0 H LYS A 65 0.662 -6.736 -15.633 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.258 -8.608 -13.473 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.984 -8.487 -16.155 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.323 -9.653 -16.195 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.917 -11.243 -15.101 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.462 -10.103 -13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.328 -9.409 -15.172 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.587 -9.871 -16.692 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.270 -12.074 -16.511 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.957 -12.137 -14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.331 -12.260 -15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.979 -10.834 -14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.282 -10.773 -16.070 1.00 0.00 H new ATOM 1003 N LYS A 66 2.633 -8.112 -13.871 1.00 0.00 N ATOM 1004 CA LYS A 66 4.046 -8.563 -13.711 1.00 0.00 C ATOM 1005 C LYS A 66 4.518 -8.273 -12.284 1.00 0.00 C ATOM 1006 O LYS A 66 4.186 -7.260 -11.702 1.00 0.00 O ATOM 1007 CB LYS A 66 4.938 -7.813 -14.704 1.00 0.00 C ATOM 1008 CG LYS A 66 4.220 -7.698 -16.051 1.00 0.00 C ATOM 1009 CD LYS A 66 5.224 -7.913 -17.186 1.00 0.00 C ATOM 1010 CE LYS A 66 4.521 -7.734 -18.533 1.00 0.00 C ATOM 1011 NZ LYS A 66 5.008 -8.768 -19.489 1.00 0.00 N ATOM 0 H LYS A 66 2.463 -7.129 -13.658 1.00 0.00 H new ATOM 0 HA LYS A 66 4.107 -9.634 -13.903 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.173 -6.821 -14.320 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.884 -8.339 -14.828 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.421 -8.437 -16.113 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.755 -6.717 -16.144 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.047 -7.204 -17.097 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.655 -8.912 -17.119 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.442 -7.820 -18.406 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.717 -6.737 -18.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.530 -8.647 -20.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.035 -8.665 -19.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.799 -9.715 -19.113 1.00 0.00 H new ATOM 1025 N ASP A 67 5.293 -9.158 -11.716 1.00 0.00 N ATOM 1026 CA ASP A 67 5.788 -8.940 -10.326 1.00 0.00 C ATOM 1027 C ASP A 67 6.549 -7.614 -10.253 1.00 0.00 C ATOM 1028 O ASP A 67 7.499 -7.389 -10.977 1.00 0.00 O ATOM 1029 CB ASP A 67 6.724 -10.085 -9.933 1.00 0.00 C ATOM 1030 CG ASP A 67 7.991 -10.028 -10.790 1.00 0.00 C ATOM 1031 OD1 ASP A 67 7.926 -10.440 -11.937 1.00 0.00 O ATOM 1032 OD2 ASP A 67 9.005 -9.575 -10.284 1.00 0.00 O ATOM 0 H ASP A 67 5.605 -10.024 -12.156 1.00 0.00 H new ATOM 0 HA ASP A 67 4.940 -8.909 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.983 -10.010 -8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.222 -11.043 -10.071 1.00 0.00 H new ATOM 1037 N LEU A 68 6.140 -6.735 -9.379 1.00 0.00 N ATOM 1038 CA LEU A 68 6.836 -5.425 -9.250 1.00 0.00 C ATOM 1039 C LEU A 68 6.748 -4.662 -10.573 1.00 0.00 C ATOM 1040 O LEU A 68 7.748 -4.303 -11.162 1.00 0.00 O ATOM 1041 CB LEU A 68 8.305 -5.661 -8.892 1.00 0.00 C ATOM 1042 CG LEU A 68 8.397 -6.671 -7.748 1.00 0.00 C ATOM 1043 CD1 LEU A 68 9.856 -6.832 -7.322 1.00 0.00 C ATOM 1044 CD2 LEU A 68 7.573 -6.170 -6.559 1.00 0.00 C ATOM 0 H LEU A 68 5.351 -6.869 -8.747 1.00 0.00 H new ATOM 0 HA LEU A 68 6.360 -4.839 -8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.847 -6.031 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.774 -4.722 -8.600 1.00 0.00 H new ATOM 0 HG LEU A 68 8.009 -7.633 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.920 -7.552 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.445 -7.188 -8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.246 -5.870 -6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.638 -6.889 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.962 -5.208 -6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.532 -6.056 -6.860 1.00 0.00 H new ATOM 1056 N CYS A 69 5.558 -4.405 -11.042 1.00 0.00 N ATOM 1057 CA CYS A 69 5.407 -3.659 -12.323 1.00 0.00 C ATOM 1058 C CYS A 69 5.207 -2.176 -12.020 1.00 0.00 C ATOM 1059 O CYS A 69 5.415 -1.325 -12.862 1.00 0.00 O ATOM 1060 CB CYS A 69 4.188 -4.184 -13.083 1.00 0.00 C ATOM 1061 SG CYS A 69 4.137 -3.433 -14.730 1.00 0.00 S ATOM 0 H CYS A 69 4.684 -4.679 -10.594 1.00 0.00 H new ATOM 0 HA CYS A 69 6.302 -3.797 -12.930 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.238 -5.270 -13.168 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.275 -3.949 -12.536 1.00 0.00 H new ATOM 1066 N ASN A 70 4.798 -1.860 -10.823 1.00 0.00 N ATOM 1067 CA ASN A 70 4.578 -0.433 -10.463 1.00 0.00 C ATOM 1068 C ASN A 70 5.880 0.166 -9.930 1.00 0.00 C ATOM 1069 O ASN A 70 6.215 0.016 -8.771 1.00 0.00 O ATOM 1070 CB ASN A 70 3.490 -0.347 -9.389 1.00 0.00 C ATOM 1071 CG ASN A 70 2.179 -0.904 -9.948 1.00 0.00 C ATOM 1072 OD1 ASN A 70 1.441 -1.567 -9.246 1.00 0.00 O ATOM 1073 ND2 ASN A 70 1.856 -0.664 -11.189 1.00 0.00 N ATOM 0 H ASN A 70 4.607 -2.530 -10.078 1.00 0.00 H new ATOM 0 HA ASN A 70 4.263 0.125 -11.345 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.790 -0.911 -8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.354 0.688 -9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 70 0.984 -1.033 -11.570 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.475 -0.108 -11.779 1.00 0.00 H new ATOM 1080 N PHE A 71 6.618 0.842 -10.768 1.00 0.00 N ATOM 1081 CA PHE A 71 7.900 1.449 -10.311 1.00 0.00 C ATOM 1082 C PHE A 71 7.951 2.915 -10.745 1.00 0.00 C ATOM 1083 O PHE A 71 8.999 3.445 -11.056 1.00 0.00 O ATOM 1084 CB PHE A 71 9.073 0.689 -10.933 1.00 0.00 C ATOM 1085 CG PHE A 71 8.798 0.452 -12.398 1.00 0.00 C ATOM 1086 CD1 PHE A 71 8.093 -0.687 -12.804 1.00 0.00 C ATOM 1087 CD2 PHE A 71 9.251 1.372 -13.353 1.00 0.00 C ATOM 1088 CE1 PHE A 71 7.840 -0.907 -14.162 1.00 0.00 C ATOM 1089 CE2 PHE A 71 8.998 1.151 -14.713 1.00 0.00 C ATOM 1090 CZ PHE A 71 8.292 0.012 -15.117 1.00 0.00 C ATOM 0 H PHE A 71 6.388 1.000 -11.749 1.00 0.00 H new ATOM 0 HA PHE A 71 7.966 1.390 -9.225 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.994 1.259 -10.812 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.217 -0.262 -10.420 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.744 -1.396 -12.068 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.795 2.251 -13.041 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.296 -1.786 -14.474 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.348 1.859 -15.450 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.096 -0.158 -16.165 1.00 0.00 H new ATOM 1100 N ASN A 72 6.826 3.572 -10.765 1.00 0.00 N ATOM 1101 CA ASN A 72 6.802 5.003 -11.175 1.00 0.00 C ATOM 1102 C ASN A 72 7.419 5.153 -12.567 1.00 0.00 C ATOM 1103 O ASN A 72 8.502 5.680 -12.723 1.00 0.00 O ATOM 1104 CB ASN A 72 7.606 5.836 -10.173 1.00 0.00 C ATOM 1105 CG ASN A 72 7.632 7.294 -10.632 1.00 0.00 C ATOM 1106 OD1 ASN A 72 8.683 7.843 -10.892 1.00 0.00 O ATOM 1107 ND2 ASN A 72 6.508 7.948 -10.747 1.00 0.00 N ATOM 0 H ASN A 72 5.919 3.178 -10.514 1.00 0.00 H new ATOM 0 HA ASN A 72 5.770 5.352 -11.197 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.160 5.763 -9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.622 5.450 -10.094 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.513 8.920 -11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.625 7.487 -10.529 1.00 0.00 H new ATOM 1114 N GLU A 73 6.736 4.698 -13.583 1.00 0.00 N ATOM 1115 CA GLU A 73 7.282 4.818 -14.964 1.00 0.00 C ATOM 1116 C GLU A 73 6.523 3.873 -15.897 1.00 0.00 C ATOM 1117 O GLU A 73 7.094 2.984 -16.496 1.00 0.00 O ATOM 1118 CB GLU A 73 8.768 4.451 -14.964 1.00 0.00 C ATOM 1119 CG GLU A 73 9.600 5.691 -15.299 1.00 0.00 C ATOM 1120 CD GLU A 73 9.788 5.787 -16.813 1.00 0.00 C ATOM 1121 OE1 GLU A 73 8.930 6.365 -17.461 1.00 0.00 O ATOM 1122 OE2 GLU A 73 10.787 5.283 -17.301 1.00 0.00 O ATOM 0 H GLU A 73 5.823 4.248 -13.515 1.00 0.00 H new ATOM 0 HA GLU A 73 7.164 5.845 -15.311 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.057 4.059 -13.989 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.959 3.664 -15.693 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.103 6.587 -14.926 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.570 5.635 -14.804 1.00 0.00 H new ATOM 1129 N GLN A 74 5.238 4.059 -16.025 1.00 0.00 N ATOM 1130 CA GLN A 74 4.441 3.172 -16.919 1.00 0.00 C ATOM 1131 C GLN A 74 3.446 4.017 -17.716 1.00 0.00 C ATOM 1132 O GLN A 74 3.451 4.020 -18.931 1.00 0.00 O ATOM 1133 CB GLN A 74 3.681 2.147 -16.075 1.00 0.00 C ATOM 1134 CG GLN A 74 4.638 1.044 -15.619 1.00 0.00 C ATOM 1135 CD GLN A 74 4.232 -0.282 -16.262 1.00 0.00 C ATOM 1136 OE1 GLN A 74 3.381 -0.983 -15.751 1.00 0.00 O ATOM 1137 NE2 GLN A 74 4.809 -0.661 -17.370 1.00 0.00 N ATOM 0 H GLN A 74 4.705 4.787 -15.549 1.00 0.00 H new ATOM 0 HA GLN A 74 5.108 2.652 -17.606 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.234 2.635 -15.209 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.865 1.717 -16.656 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.661 1.297 -15.898 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.616 0.955 -14.533 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.523 -0.073 -17.800 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.545 -1.545 -17.806 1.00 0.00 H new ATOM 1146 N LEU A 75 2.592 4.738 -17.041 1.00 0.00 N ATOM 1147 CA LEU A 75 1.598 5.585 -17.760 1.00 0.00 C ATOM 1148 C LEU A 75 2.153 7.003 -17.920 1.00 0.00 C ATOM 1149 O LEU A 75 1.547 7.849 -18.544 1.00 0.00 O ATOM 1150 CB LEU A 75 0.286 5.629 -16.965 1.00 0.00 C ATOM 1151 CG LEU A 75 0.492 6.398 -15.656 1.00 0.00 C ATOM 1152 CD1 LEU A 75 -0.829 7.040 -15.230 1.00 0.00 C ATOM 1153 CD2 LEU A 75 0.960 5.433 -14.566 1.00 0.00 C ATOM 0 H LEU A 75 2.540 4.777 -16.023 1.00 0.00 H new ATOM 0 HA LEU A 75 1.406 5.160 -18.745 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.493 6.108 -17.559 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.054 4.616 -16.751 1.00 0.00 H new ATOM 0 HG LEU A 75 1.244 7.173 -15.805 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.684 7.587 -14.299 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.167 7.727 -16.006 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.580 6.264 -15.081 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.107 5.980 -13.635 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.207 4.659 -14.418 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.900 4.972 -14.868 1.00 0.00 H new