USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 879 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 5 CYS SG : rot -99:sc= 1.42 USER MOD Set 1.2: A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 78 CYS SG : rot 180:sc= -0.602 USER MOD Set 2.2: A 82 ASN : amide:sc= -0.0522 X(o=-0.65,f=-0.16) USER MOD Set 3.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 53 LYS NZ :NH3+ 160:sc= -0.386 (180deg=-0.848) USER MOD Single : A 1 GLU 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 74:sc= -0.623 USER MOD Single : A 7 SER OG : rot 180:sc=-0.00896 USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0636) USER MOD Single : A 13 MET CE :methyl 130:sc= -2.02 (180deg=-4.92!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -2.79 X(o=-2.8,f=-3.3!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0199) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 47 MET CE :methyl -175:sc= -0.199 (180deg=-0.254) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0354 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -154:sc= 0.935 (180deg=0.182) USER MOD Single : A 61 TYR OH : rot 16:sc= -0.518 USER MOD Single : A 65 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 74 MET CE :methyl -131:sc= -0.907 (180deg=-4.45!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -2.37! K(o=-2.4!,f=-1.7) USER MOD Single : A 91 MET CE :methyl -147:sc= -0.251 (180deg=-2.01!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 101 MET CE :methyl 152:sc= -0.156 (180deg=-0.738) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 172.782 -18.061 12.246 1.00 0.00 N ATOM 2 CA GLU A 1 172.617 -17.950 10.770 1.00 0.00 C ATOM 3 C GLU A 1 173.308 -16.703 10.226 1.00 0.00 C ATOM 4 O GLU A 1 173.291 -15.646 10.860 1.00 0.00 O ATOM 5 CB GLU A 1 171.122 -17.903 10.438 1.00 0.00 C ATOM 6 CG GLU A 1 170.779 -18.529 9.095 1.00 0.00 C ATOM 7 CD GLU A 1 170.441 -20.004 9.206 1.00 0.00 C ATOM 8 OE1 GLU A 1 171.256 -20.760 9.776 1.00 0.00 O ATOM 9 OE2 GLU A 1 169.361 -20.403 8.721 1.00 0.00 O ATOM 0 H1 GLU A 1 172.301 -18.918 12.586 1.00 0.00 H new ATOM 0 H2 GLU A 1 173.794 -18.116 12.479 1.00 0.00 H new ATOM 0 H3 GLU A 1 172.366 -17.226 12.706 1.00 0.00 H new ATOM 0 HA GLU A 1 173.080 -18.818 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 1 170.567 -18.418 11.222 1.00 0.00 H new ATOM 0 HB3 GLU A 1 170.790 -16.865 10.442 1.00 0.00 H new ATOM 0 HG2 GLU A 1 169.934 -17.999 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.621 -18.404 8.415 1.00 0.00 H new ATOM 18 N GLN A 2 173.905 -16.832 9.042 1.00 0.00 N ATOM 19 CA GLN A 2 174.594 -15.714 8.403 1.00 0.00 C ATOM 20 C GLN A 2 173.603 -14.613 8.022 1.00 0.00 C ATOM 21 O GLN A 2 173.898 -13.425 8.166 1.00 0.00 O ATOM 22 CB GLN A 2 175.352 -16.191 7.160 1.00 0.00 C ATOM 23 CG GLN A 2 176.386 -17.270 7.446 1.00 0.00 C ATOM 24 CD GLN A 2 176.450 -18.320 6.353 1.00 0.00 C ATOM 25 OE1 GLN A 2 177.408 -18.371 5.582 1.00 0.00 O ATOM 26 NE2 GLN A 2 175.428 -19.167 6.281 1.00 0.00 N ATOM 0 H GLN A 2 173.925 -17.700 8.507 1.00 0.00 H new ATOM 0 HA GLN A 2 175.310 -15.305 9.116 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.635 -16.572 6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.850 -15.337 6.700 1.00 0.00 H new ATOM 0 HG2 GLN A 2 177.367 -16.808 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 2 176.150 -17.752 8.395 1.00 0.00 H new ATOM 0 HE21 GLN A 2 174.654 -19.089 6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 2 175.418 -19.895 5.566 1.00 0.00 H new ATOM 35 N LEU A 3 172.424 -15.018 7.539 1.00 0.00 N ATOM 36 CA LEU A 3 171.386 -14.069 7.141 1.00 0.00 C ATOM 37 C LEU A 3 170.918 -13.230 8.331 1.00 0.00 C ATOM 38 O LEU A 3 170.808 -12.008 8.228 1.00 0.00 O ATOM 39 CB LEU A 3 170.191 -14.806 6.528 1.00 0.00 C ATOM 40 CG LEU A 3 170.313 -15.127 5.035 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.249 -16.134 4.622 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.200 -13.856 4.203 1.00 0.00 C ATOM 0 H LEU A 3 172.167 -15.997 7.415 1.00 0.00 H new ATOM 0 HA LEU A 3 171.817 -13.402 6.395 1.00 0.00 H new ATOM 0 HB2 LEU A 3 170.043 -15.739 7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 3 169.296 -14.203 6.681 1.00 0.00 H new ATOM 0 HG LEU A 3 171.294 -15.567 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 3 169.348 -16.352 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 3 169.376 -17.053 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.260 -15.719 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 3 170.289 -14.104 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 3 169.233 -13.386 4.385 1.00 0.00 H new ATOM 0 HD23 LEU A 3 170.997 -13.166 4.482 1.00 0.00 H new ATOM 54 N LYS A 4 170.649 -13.892 9.460 1.00 0.00 N ATOM 55 CA LYS A 4 170.197 -13.199 10.668 1.00 0.00 C ATOM 56 C LYS A 4 171.271 -12.239 11.178 1.00 0.00 C ATOM 57 O LYS A 4 170.959 -11.144 11.650 1.00 0.00 O ATOM 58 CB LYS A 4 169.831 -14.203 11.768 1.00 0.00 C ATOM 59 CG LYS A 4 168.474 -13.943 12.409 1.00 0.00 C ATOM 60 CD LYS A 4 168.408 -14.506 13.823 1.00 0.00 C ATOM 61 CE LYS A 4 166.988 -14.902 14.208 1.00 0.00 C ATOM 62 NZ LYS A 4 166.229 -13.766 14.807 1.00 0.00 N ATOM 0 H LYS A 4 170.736 -14.903 9.562 1.00 0.00 H new ATOM 0 HA LYS A 4 169.308 -12.624 10.408 1.00 0.00 H new ATOM 0 HB2 LYS A 4 169.837 -15.208 11.346 1.00 0.00 H new ATOM 0 HB3 LYS A 4 170.599 -14.177 12.541 1.00 0.00 H new ATOM 0 HG2 LYS A 4 168.282 -12.870 12.434 1.00 0.00 H new ATOM 0 HG3 LYS A 4 167.690 -14.393 11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 4 169.061 -15.375 13.899 1.00 0.00 H new ATOM 0 HD3 LYS A 4 168.782 -13.764 14.528 1.00 0.00 H new ATOM 0 HE2 LYS A 4 166.461 -15.263 13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 4 167.023 -15.728 14.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 165.269 -14.081 15.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 166.716 -13.437 15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 166.172 -12.987 14.121 1.00 0.00 H new ATOM 76 N CYS A 5 172.535 -12.656 11.079 1.00 0.00 N ATOM 77 CA CYS A 5 173.655 -11.832 11.528 1.00 0.00 C ATOM 78 C CYS A 5 173.731 -10.530 10.731 1.00 0.00 C ATOM 79 O CYS A 5 173.888 -9.451 11.307 1.00 0.00 O ATOM 80 CB CYS A 5 174.975 -12.596 11.392 1.00 0.00 C ATOM 81 SG CYS A 5 176.225 -12.135 12.616 1.00 0.00 S ATOM 0 H CYS A 5 172.807 -13.560 10.692 1.00 0.00 H new ATOM 0 HA CYS A 5 173.489 -11.591 12.578 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.775 -13.664 11.478 1.00 0.00 H new ATOM 0 HB3 CYS A 5 175.379 -12.427 10.394 1.00 0.00 H new ATOM 0 HG CYS A 5 177.068 -11.302 12.082 1.00 0.00 H new ATOM 87 N CYS A 6 173.614 -10.638 9.404 1.00 0.00 N ATOM 88 CA CYS A 6 173.666 -9.469 8.525 1.00 0.00 C ATOM 89 C CYS A 6 172.535 -8.491 8.847 1.00 0.00 C ATOM 90 O CYS A 6 172.735 -7.274 8.831 1.00 0.00 O ATOM 91 CB CYS A 6 173.578 -9.892 7.055 1.00 0.00 C ATOM 92 SG CYS A 6 175.002 -10.840 6.468 1.00 0.00 S ATOM 0 H CYS A 6 173.483 -11.524 8.916 1.00 0.00 H new ATOM 0 HA CYS A 6 174.620 -8.970 8.695 1.00 0.00 H new ATOM 0 HB2 CYS A 6 172.676 -10.488 6.914 1.00 0.00 H new ATOM 0 HB3 CYS A 6 173.471 -9.000 6.438 1.00 0.00 H new ATOM 0 HG CYS A 6 174.952 -12.044 6.955 1.00 0.00 H new ATOM 98 N SER A 7 171.349 -9.033 9.142 1.00 0.00 N ATOM 99 CA SER A 7 170.184 -8.212 9.473 1.00 0.00 C ATOM 100 C SER A 7 170.484 -7.279 10.646 1.00 0.00 C ATOM 101 O SER A 7 170.047 -6.128 10.655 1.00 0.00 O ATOM 102 CB SER A 7 168.976 -9.093 9.808 1.00 0.00 C ATOM 103 OG SER A 7 168.863 -10.177 8.903 1.00 0.00 O ATOM 0 H SER A 7 171.172 -10.037 9.158 1.00 0.00 H new ATOM 0 HA SER A 7 169.949 -7.606 8.598 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.072 -9.474 10.825 1.00 0.00 H new ATOM 0 HB3 SER A 7 168.066 -8.494 9.776 1.00 0.00 H new ATOM 0 HG SER A 7 168.085 -10.723 9.142 1.00 0.00 H new ATOM 109 N GLY A 8 171.238 -7.782 11.631 1.00 0.00 N ATOM 110 CA GLY A 8 171.588 -6.979 12.793 1.00 0.00 C ATOM 111 C GLY A 8 172.357 -5.724 12.425 1.00 0.00 C ATOM 112 O GLY A 8 172.076 -4.646 12.950 1.00 0.00 O ATOM 0 H GLY A 8 171.611 -8.731 11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 8 170.678 -6.700 13.325 1.00 0.00 H new ATOM 0 HA3 GLY A 8 172.186 -7.580 13.478 1.00 0.00 H new ATOM 116 N ILE A 9 173.321 -5.858 11.512 1.00 0.00 N ATOM 117 CA ILE A 9 174.117 -4.714 11.070 1.00 0.00 C ATOM 118 C ILE A 9 173.240 -3.713 10.323 1.00 0.00 C ATOM 119 O ILE A 9 173.316 -2.507 10.563 1.00 0.00 O ATOM 120 CB ILE A 9 175.291 -5.137 10.158 1.00 0.00 C ATOM 121 CG1 ILE A 9 176.089 -6.278 10.798 1.00 0.00 C ATOM 122 CG2 ILE A 9 176.198 -3.945 9.880 1.00 0.00 C ATOM 123 CD1 ILE A 9 177.231 -6.774 9.938 1.00 0.00 C ATOM 0 H ILE A 9 173.568 -6.742 11.067 1.00 0.00 H new ATOM 0 HA ILE A 9 174.532 -4.252 11.966 1.00 0.00 H new ATOM 0 HB ILE A 9 174.883 -5.494 9.213 1.00 0.00 H new ATOM 0 HG12 ILE A 9 176.486 -5.940 11.755 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.415 -7.109 11.007 1.00 0.00 H new ATOM 0 HG21 ILE A 9 177.021 -4.256 9.237 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.626 -3.161 9.384 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.597 -3.564 10.820 1.00 0.00 H new ATOM 0 HD11 ILE A 9 177.751 -7.581 10.454 1.00 0.00 H new ATOM 0 HD12 ILE A 9 176.839 -7.143 8.990 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.926 -5.956 9.750 1.00 0.00 H new ATOM 135 N LEU A 10 172.394 -4.225 9.427 1.00 0.00 N ATOM 136 CA LEU A 10 171.488 -3.379 8.655 1.00 0.00 C ATOM 137 C LEU A 10 170.486 -2.678 9.578 1.00 0.00 C ATOM 138 O LEU A 10 170.115 -1.527 9.342 1.00 0.00 O ATOM 139 CB LEU A 10 170.746 -4.204 7.597 1.00 0.00 C ATOM 140 CG LEU A 10 171.642 -4.989 6.630 1.00 0.00 C ATOM 141 CD1 LEU A 10 170.808 -5.941 5.787 1.00 0.00 C ATOM 142 CD2 LEU A 10 172.436 -4.043 5.738 1.00 0.00 C ATOM 0 H LEU A 10 172.319 -5.221 9.220 1.00 0.00 H new ATOM 0 HA LEU A 10 172.083 -2.620 8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.085 -4.906 8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 10 170.112 -3.534 7.016 1.00 0.00 H new ATOM 0 HG LEU A 10 172.348 -5.574 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 10 171.459 -6.490 5.107 1.00 0.00 H new ATOM 0 HD12 LEU A 10 170.289 -6.644 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 10 170.078 -5.372 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 10 173.064 -4.622 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 10 171.749 -3.427 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 10 173.064 -3.402 6.356 1.00 0.00 H new ATOM 154 N LYS A 11 170.059 -3.382 10.633 1.00 0.00 N ATOM 155 CA LYS A 11 169.105 -2.835 11.601 1.00 0.00 C ATOM 156 C LYS A 11 169.641 -1.559 12.254 1.00 0.00 C ATOM 157 O LYS A 11 168.863 -0.694 12.656 1.00 0.00 O ATOM 158 CB LYS A 11 168.784 -3.877 12.679 1.00 0.00 C ATOM 159 CG LYS A 11 167.767 -3.407 13.711 1.00 0.00 C ATOM 160 CD LYS A 11 167.331 -4.546 14.622 1.00 0.00 C ATOM 161 CE LYS A 11 166.489 -4.048 15.791 1.00 0.00 C ATOM 162 NZ LYS A 11 165.296 -3.273 15.340 1.00 0.00 N ATOM 0 H LYS A 11 170.361 -4.335 10.837 1.00 0.00 H new ATOM 0 HA LYS A 11 168.193 -2.583 11.061 1.00 0.00 H new ATOM 0 HB2 LYS A 11 168.407 -4.779 12.197 1.00 0.00 H new ATOM 0 HB3 LYS A 11 169.706 -4.151 13.191 1.00 0.00 H new ATOM 0 HG2 LYS A 11 168.199 -2.605 14.310 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.896 -2.992 13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 11 166.758 -5.273 14.046 1.00 0.00 H new ATOM 0 HD3 LYS A 11 168.211 -5.063 15.003 1.00 0.00 H new ATOM 0 HE2 LYS A 11 166.162 -4.899 16.389 1.00 0.00 H new ATOM 0 HE3 LYS A 11 167.103 -3.421 16.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 164.684 -3.072 16.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 165.606 -2.378 14.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 164.766 -3.829 14.639 1.00 0.00 H new ATOM 176 N GLU A 12 170.968 -1.441 12.353 1.00 0.00 N ATOM 177 CA GLU A 12 171.596 -0.261 12.951 1.00 0.00 C ATOM 178 C GLU A 12 171.188 1.009 12.209 1.00 0.00 C ATOM 179 O GLU A 12 170.988 2.058 12.826 1.00 0.00 O ATOM 180 CB GLU A 12 173.120 -0.409 12.948 1.00 0.00 C ATOM 181 CG GLU A 12 173.756 -0.191 14.312 1.00 0.00 C ATOM 182 CD GLU A 12 175.251 0.048 14.230 1.00 0.00 C ATOM 183 OE1 GLU A 12 175.654 1.184 13.903 1.00 0.00 O ATOM 184 OE2 GLU A 12 176.019 -0.901 14.497 1.00 0.00 O ATOM 0 H GLU A 12 171.627 -2.148 12.027 1.00 0.00 H new ATOM 0 HA GLU A 12 171.252 -0.180 13.982 1.00 0.00 H new ATOM 0 HB2 GLU A 12 173.379 -1.406 12.591 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.544 0.303 12.241 1.00 0.00 H new ATOM 0 HG2 GLU A 12 173.282 0.662 14.797 1.00 0.00 H new ATOM 0 HG3 GLU A 12 173.565 -1.061 14.940 1.00 0.00 H new ATOM 191 N MET A 13 171.048 0.907 10.885 1.00 0.00 N ATOM 192 CA MET A 13 170.641 2.047 10.068 1.00 0.00 C ATOM 193 C MET A 13 169.291 2.589 10.537 1.00 0.00 C ATOM 194 O MET A 13 169.070 3.797 10.538 1.00 0.00 O ATOM 195 CB MET A 13 170.557 1.649 8.593 1.00 0.00 C ATOM 196 CG MET A 13 171.295 2.600 7.666 1.00 0.00 C ATOM 197 SD MET A 13 173.086 2.404 7.750 1.00 0.00 S ATOM 198 CE MET A 13 173.257 0.661 7.375 1.00 0.00 C ATOM 0 H MET A 13 171.211 0.048 10.359 1.00 0.00 H new ATOM 0 HA MET A 13 171.392 2.829 10.179 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.966 0.646 8.472 1.00 0.00 H new ATOM 0 HB3 MET A 13 169.509 1.605 8.296 1.00 0.00 H new ATOM 0 HG2 MET A 13 170.963 2.433 6.641 1.00 0.00 H new ATOM 0 HG3 MET A 13 171.034 3.627 7.922 1.00 0.00 H new ATOM 0 HE1 MET A 13 174.002 0.529 6.591 1.00 0.00 H new ATOM 0 HE2 MET A 13 173.574 0.126 8.270 1.00 0.00 H new ATOM 0 HE3 MET A 13 172.299 0.266 7.036 1.00 0.00 H new ATOM 208 N PHE A 14 168.396 1.683 10.943 1.00 0.00 N ATOM 209 CA PHE A 14 167.071 2.069 11.427 1.00 0.00 C ATOM 210 C PHE A 14 166.953 1.883 12.949 1.00 0.00 C ATOM 211 O PHE A 14 165.847 1.871 13.495 1.00 0.00 O ATOM 212 CB PHE A 14 165.990 1.249 10.716 1.00 0.00 C ATOM 213 CG PHE A 14 164.887 2.085 10.129 1.00 0.00 C ATOM 214 CD1 PHE A 14 163.803 2.470 10.903 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.933 2.484 8.802 1.00 0.00 C ATOM 216 CE1 PHE A 14 162.786 3.235 10.364 1.00 0.00 C ATOM 217 CE2 PHE A 14 163.920 3.250 8.258 1.00 0.00 C ATOM 218 CZ PHE A 14 162.845 3.625 9.040 1.00 0.00 C ATOM 0 H PHE A 14 168.567 0.677 10.945 1.00 0.00 H new ATOM 0 HA PHE A 14 166.929 3.126 11.203 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.453 0.665 9.921 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.560 0.540 11.423 1.00 0.00 H new ATOM 0 HD1 PHE A 14 163.753 2.169 11.939 1.00 0.00 H new ATOM 0 HD2 PHE A 14 165.771 2.192 8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 14 161.946 3.528 10.977 1.00 0.00 H new ATOM 0 HE2 PHE A 14 163.969 3.555 7.223 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.051 4.223 8.617 1.00 0.00 H new ATOM 228 N ALA A 15 168.096 1.749 13.632 1.00 0.00 N ATOM 229 CA ALA A 15 168.113 1.576 15.086 1.00 0.00 C ATOM 230 C ALA A 15 168.491 2.877 15.803 1.00 0.00 C ATOM 231 O ALA A 15 168.781 2.871 17.002 1.00 0.00 O ATOM 232 CB ALA A 15 169.077 0.462 15.473 1.00 0.00 C ATOM 0 H ALA A 15 169.020 1.757 13.200 1.00 0.00 H new ATOM 0 HA ALA A 15 167.106 1.303 15.401 1.00 0.00 H new ATOM 0 HB1 ALA A 15 169.080 0.344 16.557 1.00 0.00 H new ATOM 0 HB2 ALA A 15 168.761 -0.471 15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 15 170.081 0.715 15.133 1.00 0.00 H new ATOM 238 N LYS A 16 168.494 3.987 15.058 1.00 0.00 N ATOM 239 CA LYS A 16 168.841 5.303 15.604 1.00 0.00 C ATOM 240 C LYS A 16 170.341 5.404 15.909 1.00 0.00 C ATOM 241 O LYS A 16 170.755 6.188 16.765 1.00 0.00 O ATOM 242 CB LYS A 16 168.018 5.606 16.867 1.00 0.00 C ATOM 243 CG LYS A 16 167.308 6.953 16.832 1.00 0.00 C ATOM 244 CD LYS A 16 165.820 6.797 16.556 1.00 0.00 C ATOM 245 CE LYS A 16 165.102 8.139 16.598 1.00 0.00 C ATOM 246 NZ LYS A 16 163.647 7.990 16.882 1.00 0.00 N ATOM 0 H LYS A 16 168.258 3.999 14.066 1.00 0.00 H new ATOM 0 HA LYS A 16 168.600 6.047 14.845 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.276 4.819 17.003 1.00 0.00 H new ATOM 0 HB3 LYS A 16 168.677 5.576 17.734 1.00 0.00 H new ATOM 0 HG2 LYS A 16 167.450 7.464 17.784 1.00 0.00 H new ATOM 0 HG3 LYS A 16 167.757 7.581 16.063 1.00 0.00 H new ATOM 0 HD2 LYS A 16 165.676 6.337 15.579 1.00 0.00 H new ATOM 0 HD3 LYS A 16 165.381 6.125 17.293 1.00 0.00 H new ATOM 0 HE2 LYS A 16 165.557 8.769 17.362 1.00 0.00 H new ATOM 0 HE3 LYS A 16 165.234 8.650 15.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 163.199 8.928 16.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 163.206 7.411 16.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 163.519 7.526 17.804 1.00 0.00 H new ATOM 260 N LYS A 17 171.152 4.614 15.199 1.00 0.00 N ATOM 261 CA LYS A 17 172.603 4.624 15.393 1.00 0.00 C ATOM 262 C LYS A 17 173.326 5.168 14.157 1.00 0.00 C ATOM 263 O LYS A 17 174.361 5.825 14.277 1.00 0.00 O ATOM 264 CB LYS A 17 173.106 3.216 15.724 1.00 0.00 C ATOM 265 CG LYS A 17 172.603 2.688 17.061 1.00 0.00 C ATOM 266 CD LYS A 17 172.568 1.168 17.087 1.00 0.00 C ATOM 267 CE LYS A 17 171.979 0.643 18.387 1.00 0.00 C ATOM 268 NZ LYS A 17 172.963 -0.168 19.158 1.00 0.00 N ATOM 0 H LYS A 17 170.828 3.961 14.486 1.00 0.00 H new ATOM 0 HA LYS A 17 172.824 5.285 16.231 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.796 2.533 14.933 1.00 0.00 H new ATOM 0 HB3 LYS A 17 174.196 3.221 15.732 1.00 0.00 H new ATOM 0 HG2 LYS A 17 173.247 3.051 17.862 1.00 0.00 H new ATOM 0 HG3 LYS A 17 171.604 3.079 17.254 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.978 0.803 16.246 1.00 0.00 H new ATOM 0 HD3 LYS A 17 173.578 0.778 16.961 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.643 1.481 18.997 1.00 0.00 H new ATOM 0 HE3 LYS A 17 171.101 0.036 18.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 172.521 -0.506 20.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 173.265 -0.983 18.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 173.790 0.418 19.390 1.00 0.00 H new ATOM 282 N HIS A 18 172.767 4.901 12.974 1.00 0.00 N ATOM 283 CA HIS A 18 173.347 5.373 11.718 1.00 0.00 C ATOM 284 C HIS A 18 172.246 5.758 10.722 1.00 0.00 C ATOM 285 O HIS A 18 172.431 5.661 9.507 1.00 0.00 O ATOM 286 CB HIS A 18 174.252 4.295 11.112 1.00 0.00 C ATOM 287 CG HIS A 18 175.404 4.850 10.333 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.668 5.006 10.865 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.481 5.282 9.053 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.471 5.510 9.945 1.00 0.00 C ATOM 291 NE2 HIS A 18 176.776 5.686 8.837 1.00 0.00 N ATOM 0 H HIS A 18 171.911 4.358 12.862 1.00 0.00 H new ATOM 0 HA HIS A 18 173.946 6.259 11.930 1.00 0.00 H new ATOM 0 HB2 HIS A 18 174.636 3.663 11.912 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.656 3.657 10.459 1.00 0.00 H new ATOM 0 HD2 HIS A 18 174.675 5.305 8.335 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.518 5.739 10.077 1.00 0.00 H new ATOM 0 HE2 HIS A 18 177.141 6.061 7.962 1.00 0.00 H new ATOM 300 N ALA A 19 171.101 6.199 11.249 1.00 0.00 N ATOM 301 CA ALA A 19 169.971 6.601 10.414 1.00 0.00 C ATOM 302 C ALA A 19 170.185 7.992 9.834 1.00 0.00 C ATOM 303 O ALA A 19 169.835 8.253 8.686 1.00 0.00 O ATOM 304 CB ALA A 19 168.674 6.560 11.211 1.00 0.00 C ATOM 0 H ALA A 19 170.934 6.286 12.251 1.00 0.00 H new ATOM 0 HA ALA A 19 169.899 5.893 9.588 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.845 6.863 10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.502 5.547 11.574 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.746 7.241 12.059 1.00 0.00 H new ATOM 310 N ALA A 20 170.769 8.882 10.637 1.00 0.00 N ATOM 311 CA ALA A 20 171.036 10.251 10.199 1.00 0.00 C ATOM 312 C ALA A 20 172.057 10.273 9.064 1.00 0.00 C ATOM 313 O ALA A 20 171.925 11.047 8.115 1.00 0.00 O ATOM 314 CB ALA A 20 171.525 11.100 11.364 1.00 0.00 C ATOM 0 H ALA A 20 171.065 8.680 11.592 1.00 0.00 H new ATOM 0 HA ALA A 20 170.102 10.672 9.827 1.00 0.00 H new ATOM 0 HB1 ALA A 20 171.718 12.115 11.018 1.00 0.00 H new ATOM 0 HB2 ALA A 20 170.764 11.121 12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 20 172.444 10.672 11.765 1.00 0.00 H new ATOM 320 N TYR A 21 173.070 9.414 9.167 1.00 0.00 N ATOM 321 CA TYR A 21 174.111 9.327 8.150 1.00 0.00 C ATOM 322 C TYR A 21 173.584 8.663 6.876 1.00 0.00 C ATOM 323 O TYR A 21 173.997 9.014 5.771 1.00 0.00 O ATOM 324 CB TYR A 21 175.312 8.552 8.692 1.00 0.00 C ATOM 325 CG TYR A 21 176.211 9.373 9.591 1.00 0.00 C ATOM 326 CD1 TYR A 21 175.732 9.922 10.776 1.00 0.00 C ATOM 327 CD2 TYR A 21 177.539 9.599 9.254 1.00 0.00 C ATOM 328 CE1 TYR A 21 176.552 10.671 11.597 1.00 0.00 C ATOM 329 CE2 TYR A 21 178.365 10.347 10.070 1.00 0.00 C ATOM 330 CZ TYR A 21 177.867 10.881 11.241 1.00 0.00 C ATOM 331 OH TYR A 21 178.690 11.625 12.057 1.00 0.00 O ATOM 0 H TYR A 21 173.190 8.768 9.947 1.00 0.00 H new ATOM 0 HA TYR A 21 174.425 10.340 7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 21 174.953 7.685 9.246 1.00 0.00 H new ATOM 0 HB3 TYR A 21 175.898 8.175 7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 21 174.702 9.760 11.059 1.00 0.00 H new ATOM 0 HD2 TYR A 21 177.933 9.183 8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 21 176.165 11.090 12.514 1.00 0.00 H new ATOM 0 HE2 TYR A 21 179.396 10.513 9.793 1.00 0.00 H new ATOM 0 HH TYR A 21 179.585 11.676 11.661 1.00 0.00 H new ATOM 341 N ALA A 22 172.662 7.709 7.036 1.00 0.00 N ATOM 342 CA ALA A 22 172.073 7.007 5.895 1.00 0.00 C ATOM 343 C ALA A 22 170.675 7.543 5.558 1.00 0.00 C ATOM 344 O ALA A 22 169.906 6.885 4.854 1.00 0.00 O ATOM 345 CB ALA A 22 172.012 5.509 6.172 1.00 0.00 C ATOM 0 H ALA A 22 172.309 7.406 7.944 1.00 0.00 H new ATOM 0 HA ALA A 22 172.712 7.186 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 22 171.572 4.998 5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.019 5.129 6.343 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.401 5.327 7.056 1.00 0.00 H new ATOM 351 N TRP A 23 170.349 8.736 6.062 1.00 0.00 N ATOM 352 CA TRP A 23 169.045 9.346 5.810 1.00 0.00 C ATOM 353 C TRP A 23 168.948 9.880 4.380 1.00 0.00 C ATOM 354 O TRP A 23 168.023 9.524 3.647 1.00 0.00 O ATOM 355 CB TRP A 23 168.777 10.472 6.814 1.00 0.00 C ATOM 356 CG TRP A 23 167.391 10.446 7.387 1.00 0.00 C ATOM 357 CD1 TRP A 23 166.876 9.519 8.248 1.00 0.00 C ATOM 358 CD2 TRP A 23 166.343 11.390 7.139 1.00 0.00 C ATOM 359 NE1 TRP A 23 165.574 9.834 8.555 1.00 0.00 N ATOM 360 CE2 TRP A 23 165.224 10.977 7.887 1.00 0.00 C ATOM 361 CE3 TRP A 23 166.243 12.547 6.360 1.00 0.00 C ATOM 362 CZ2 TRP A 23 164.022 11.680 7.878 1.00 0.00 C ATOM 363 CZ3 TRP A 23 165.049 13.243 6.352 1.00 0.00 C ATOM 364 CH2 TRP A 23 163.953 12.809 7.108 1.00 0.00 C ATOM 0 H TRP A 23 170.970 9.296 6.646 1.00 0.00 H new ATOM 0 HA TRP A 23 168.287 8.573 5.934 1.00 0.00 H new ATOM 0 HB2 TRP A 23 169.499 10.402 7.627 1.00 0.00 H new ATOM 0 HB3 TRP A 23 168.941 11.432 6.324 1.00 0.00 H new ATOM 0 HD1 TRP A 23 167.413 8.664 8.631 1.00 0.00 H new ATOM 0 HE1 TRP A 23 164.967 9.303 9.179 1.00 0.00 H new ATOM 0 HE3 TRP A 23 167.084 12.890 5.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 163.174 11.346 8.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 164.960 14.137 5.752 1.00 0.00 H new ATOM 0 HH2 TRP A 23 163.035 13.377 7.083 1.00 0.00 H new ATOM 375 N PRO A 24 169.901 10.741 3.955 1.00 0.00 N ATOM 376 CA PRO A 24 169.899 11.307 2.601 1.00 0.00 C ATOM 377 C PRO A 24 170.383 10.317 1.534 1.00 0.00 C ATOM 378 O PRO A 24 170.336 10.619 0.340 1.00 0.00 O ATOM 379 CB PRO A 24 170.861 12.488 2.718 1.00 0.00 C ATOM 380 CG PRO A 24 171.820 12.092 3.787 1.00 0.00 C ATOM 381 CD PRO A 24 171.049 11.229 4.752 1.00 0.00 C ATOM 0 HA PRO A 24 168.894 11.581 2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 24 171.375 12.675 1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 24 170.332 13.405 2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 24 172.665 11.546 3.368 1.00 0.00 H new ATOM 0 HG3 PRO A 24 172.225 12.970 4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 24 171.657 10.404 5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 24 170.719 11.798 5.621 1.00 0.00 H new ATOM 389 N PHE A 25 170.843 9.139 1.966 1.00 0.00 N ATOM 390 CA PHE A 25 171.328 8.115 1.044 1.00 0.00 C ATOM 391 C PHE A 25 170.612 6.778 1.279 1.00 0.00 C ATOM 392 O PHE A 25 171.233 5.713 1.238 1.00 0.00 O ATOM 393 CB PHE A 25 172.844 7.943 1.203 1.00 0.00 C ATOM 394 CG PHE A 25 173.592 7.917 -0.104 1.00 0.00 C ATOM 395 CD1 PHE A 25 173.257 7.007 -1.096 1.00 0.00 C ATOM 396 CD2 PHE A 25 174.633 8.803 -0.337 1.00 0.00 C ATOM 397 CE1 PHE A 25 173.946 6.982 -2.293 1.00 0.00 C ATOM 398 CE2 PHE A 25 175.325 8.781 -1.533 1.00 0.00 C ATOM 399 CZ PHE A 25 174.981 7.869 -2.512 1.00 0.00 C ATOM 0 H PHE A 25 170.889 8.873 2.950 1.00 0.00 H new ATOM 0 HA PHE A 25 171.111 8.439 0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.231 8.757 1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.041 7.016 1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 25 172.448 6.310 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 25 174.906 9.518 0.425 1.00 0.00 H new ATOM 0 HE1 PHE A 25 173.675 6.269 -3.057 1.00 0.00 H new ATOM 0 HE2 PHE A 25 176.134 9.476 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 25 175.521 7.850 -3.447 1.00 0.00 H new ATOM 409 N TYR A 26 169.300 6.841 1.517 1.00 0.00 N ATOM 410 CA TYR A 26 168.503 5.636 1.750 1.00 0.00 C ATOM 411 C TYR A 26 167.719 5.246 0.496 1.00 0.00 C ATOM 412 O TYR A 26 167.728 4.084 0.090 1.00 0.00 O ATOM 413 CB TYR A 26 167.542 5.842 2.929 1.00 0.00 C ATOM 414 CG TYR A 26 167.410 4.631 3.833 1.00 0.00 C ATOM 415 CD1 TYR A 26 168.533 4.003 4.361 1.00 0.00 C ATOM 416 CD2 TYR A 26 166.159 4.119 4.161 1.00 0.00 C ATOM 417 CE1 TYR A 26 168.413 2.901 5.188 1.00 0.00 C ATOM 418 CE2 TYR A 26 166.032 3.018 4.988 1.00 0.00 C ATOM 419 CZ TYR A 26 167.162 2.412 5.499 1.00 0.00 C ATOM 420 OH TYR A 26 167.042 1.314 6.323 1.00 0.00 O ATOM 0 H TYR A 26 168.769 7.711 1.553 1.00 0.00 H new ATOM 0 HA TYR A 26 169.189 4.825 1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 26 167.886 6.690 3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 26 166.557 6.103 2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 26 169.515 4.382 4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 26 165.272 4.589 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 26 169.296 2.425 5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 26 165.053 2.634 5.233 1.00 0.00 H new ATOM 0 HH TYR A 26 166.094 1.098 6.444 1.00 0.00 H new ATOM 430 N LYS A 27 167.044 6.225 -0.113 1.00 0.00 N ATOM 431 CA LYS A 27 166.256 5.983 -1.324 1.00 0.00 C ATOM 432 C LYS A 27 167.153 5.943 -2.566 1.00 0.00 C ATOM 433 O LYS A 27 168.244 6.520 -2.570 1.00 0.00 O ATOM 434 CB LYS A 27 165.189 7.071 -1.493 1.00 0.00 C ATOM 435 CG LYS A 27 164.255 7.212 -0.298 1.00 0.00 C ATOM 436 CD LYS A 27 164.568 8.464 0.511 1.00 0.00 C ATOM 437 CE LYS A 27 163.424 8.827 1.447 1.00 0.00 C ATOM 438 NZ LYS A 27 163.433 10.274 1.809 1.00 0.00 N ATOM 0 H LYS A 27 167.028 7.191 0.213 1.00 0.00 H new ATOM 0 HA LYS A 27 165.768 5.014 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 27 165.683 8.026 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 27 164.596 6.850 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 27 163.222 7.250 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.344 6.333 0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 27 165.477 8.305 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 27 164.763 9.296 -0.166 1.00 0.00 H new ATOM 0 HE2 LYS A 27 162.475 8.578 0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 27 163.494 8.226 2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 162.637 10.477 2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 164.328 10.507 2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 163.340 10.848 0.947 1.00 0.00 H new ATOM 452 N PRO A 28 166.701 5.261 -3.641 1.00 0.00 N ATOM 453 CA PRO A 28 167.467 5.151 -4.893 1.00 0.00 C ATOM 454 C PRO A 28 167.554 6.480 -5.650 1.00 0.00 C ATOM 455 O PRO A 28 167.119 7.520 -5.152 1.00 0.00 O ATOM 456 CB PRO A 28 166.672 4.124 -5.706 1.00 0.00 C ATOM 457 CG PRO A 28 165.281 4.222 -5.184 1.00 0.00 C ATOM 458 CD PRO A 28 165.411 4.545 -3.721 1.00 0.00 C ATOM 0 HA PRO A 28 168.502 4.864 -4.709 1.00 0.00 H new ATOM 0 HB2 PRO A 28 166.711 4.347 -6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.074 3.119 -5.576 1.00 0.00 H new ATOM 0 HG2 PRO A 28 164.721 4.998 -5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 28 164.742 3.286 -5.331 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.585 5.165 -3.372 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.414 3.643 -3.109 1.00 0.00 H new ATOM 466 N VAL A 29 168.120 6.435 -6.858 1.00 0.00 N ATOM 467 CA VAL A 29 168.263 7.633 -7.684 1.00 0.00 C ATOM 468 C VAL A 29 167.358 7.571 -8.919 1.00 0.00 C ATOM 469 O VAL A 29 167.786 7.168 -10.004 1.00 0.00 O ATOM 470 CB VAL A 29 169.732 7.857 -8.116 1.00 0.00 C ATOM 471 CG1 VAL A 29 170.603 8.159 -6.904 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.275 6.657 -8.882 1.00 0.00 C ATOM 0 H VAL A 29 168.486 5.583 -7.284 1.00 0.00 H new ATOM 0 HA VAL A 29 167.955 8.478 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 29 169.756 8.716 -8.786 1.00 0.00 H new ATOM 0 HG11 VAL A 29 171.633 8.314 -7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 29 170.238 9.059 -6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 29 170.562 7.321 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 29 171.309 6.847 -9.171 1.00 0.00 H new ATOM 0 HG22 VAL A 29 170.232 5.771 -8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 29 169.673 6.493 -9.776 1.00 0.00 H new ATOM 482 N ASP A 30 166.098 7.977 -8.739 1.00 0.00 N ATOM 483 CA ASP A 30 165.118 7.975 -9.827 1.00 0.00 C ATOM 484 C ASP A 30 165.533 8.933 -10.942 1.00 0.00 C ATOM 485 O ASP A 30 165.420 10.151 -10.798 1.00 0.00 O ATOM 486 CB ASP A 30 163.732 8.369 -9.300 1.00 0.00 C ATOM 487 CG ASP A 30 163.028 7.242 -8.560 1.00 0.00 C ATOM 488 OD1 ASP A 30 163.321 6.059 -8.843 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.178 7.546 -7.698 1.00 0.00 O ATOM 0 H ASP A 30 165.733 8.312 -7.848 1.00 0.00 H new ATOM 0 HA ASP A 30 165.075 6.965 -10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 30 163.834 9.225 -8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 30 163.110 8.690 -10.136 1.00 0.00 H new ATOM 494 N VAL A 31 166.016 8.377 -12.052 1.00 0.00 N ATOM 495 CA VAL A 31 166.450 9.185 -13.190 1.00 0.00 C ATOM 496 C VAL A 31 165.295 10.006 -13.777 1.00 0.00 C ATOM 497 O VAL A 31 165.493 11.145 -14.197 1.00 0.00 O ATOM 498 CB VAL A 31 167.091 8.312 -14.295 1.00 0.00 C ATOM 499 CG1 VAL A 31 166.094 7.308 -14.861 1.00 0.00 C ATOM 500 CG2 VAL A 31 167.666 9.185 -15.401 1.00 0.00 C ATOM 0 H VAL A 31 166.117 7.371 -12.187 1.00 0.00 H new ATOM 0 HA VAL A 31 167.204 9.875 -12.812 1.00 0.00 H new ATOM 0 HB VAL A 31 167.906 7.747 -13.842 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.578 6.712 -15.635 1.00 0.00 H new ATOM 0 HG12 VAL A 31 165.745 6.653 -14.063 1.00 0.00 H new ATOM 0 HG13 VAL A 31 165.246 7.841 -15.291 1.00 0.00 H new ATOM 0 HG21 VAL A 31 168.112 8.553 -16.169 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.870 9.785 -15.842 1.00 0.00 H new ATOM 0 HG23 VAL A 31 168.428 9.844 -14.985 1.00 0.00 H new ATOM 510 N GLU A 32 164.095 9.423 -13.803 1.00 0.00 N ATOM 511 CA GLU A 32 162.914 10.107 -14.335 1.00 0.00 C ATOM 512 C GLU A 32 162.439 11.217 -13.393 1.00 0.00 C ATOM 513 O GLU A 32 162.133 12.326 -13.835 1.00 0.00 O ATOM 514 CB GLU A 32 161.778 9.108 -14.583 1.00 0.00 C ATOM 515 CG GLU A 32 162.205 7.896 -15.399 1.00 0.00 C ATOM 516 CD GLU A 32 161.250 6.723 -15.266 1.00 0.00 C ATOM 517 OE1 GLU A 32 160.901 6.365 -14.121 1.00 0.00 O ATOM 518 OE2 GLU A 32 160.856 6.161 -16.309 1.00 0.00 O ATOM 0 H GLU A 32 163.915 8.479 -13.462 1.00 0.00 H new ATOM 0 HA GLU A 32 163.198 10.564 -15.283 1.00 0.00 H new ATOM 0 HB2 GLU A 32 161.385 8.771 -13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 32 160.964 9.616 -15.100 1.00 0.00 H new ATOM 0 HG2 GLU A 32 162.279 8.180 -16.449 1.00 0.00 H new ATOM 0 HG3 GLU A 32 163.200 7.584 -15.082 1.00 0.00 H new ATOM 525 N ALA A 33 162.369 10.907 -12.095 1.00 0.00 N ATOM 526 CA ALA A 33 161.918 11.876 -11.094 1.00 0.00 C ATOM 527 C ALA A 33 162.955 12.971 -10.848 1.00 0.00 C ATOM 528 O ALA A 33 162.619 14.155 -10.830 1.00 0.00 O ATOM 529 CB ALA A 33 161.580 11.173 -9.785 1.00 0.00 C ATOM 0 H ALA A 33 162.619 9.994 -11.714 1.00 0.00 H new ATOM 0 HA ALA A 33 161.021 12.353 -11.489 1.00 0.00 H new ATOM 0 HB1 ALA A 33 161.247 11.908 -9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 33 160.786 10.446 -9.957 1.00 0.00 H new ATOM 0 HB3 ALA A 33 162.465 10.661 -9.408 1.00 0.00 H new ATOM 535 N LEU A 34 164.212 12.573 -10.651 1.00 0.00 N ATOM 536 CA LEU A 34 165.287 13.532 -10.394 1.00 0.00 C ATOM 537 C LEU A 34 165.805 14.171 -11.685 1.00 0.00 C ATOM 538 O LEU A 34 166.402 15.248 -11.649 1.00 0.00 O ATOM 539 CB LEU A 34 166.445 12.851 -9.662 1.00 0.00 C ATOM 540 CG LEU A 34 166.093 12.253 -8.298 1.00 0.00 C ATOM 541 CD1 LEU A 34 167.207 11.335 -7.813 1.00 0.00 C ATOM 542 CD2 LEU A 34 165.826 13.359 -7.284 1.00 0.00 C ATOM 0 H LEU A 34 164.510 11.598 -10.664 1.00 0.00 H new ATOM 0 HA LEU A 34 164.870 14.322 -9.769 1.00 0.00 H new ATOM 0 HB2 LEU A 34 166.839 12.058 -10.298 1.00 0.00 H new ATOM 0 HB3 LEU A 34 167.246 13.578 -9.526 1.00 0.00 H new ATOM 0 HG LEU A 34 165.185 11.660 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 34 166.939 10.919 -6.842 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.348 10.525 -8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 34 168.133 11.903 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 34 165.577 12.916 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 34 166.716 13.979 -7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 34 164.994 13.974 -7.627 1.00 0.00 H new ATOM 554 N GLY A 35 165.579 13.507 -12.821 1.00 0.00 N ATOM 555 CA GLY A 35 166.036 14.037 -14.096 1.00 0.00 C ATOM 556 C GLY A 35 167.547 14.001 -14.231 1.00 0.00 C ATOM 557 O GLY A 35 168.181 15.044 -14.396 1.00 0.00 O ATOM 0 H GLY A 35 165.089 12.614 -12.879 1.00 0.00 H new ATOM 0 HA2 GLY A 35 165.588 13.462 -14.907 1.00 0.00 H new ATOM 0 HA3 GLY A 35 165.689 15.065 -14.204 1.00 0.00 H new ATOM 561 N LEU A 36 168.125 12.800 -14.160 1.00 0.00 N ATOM 562 CA LEU A 36 169.575 12.639 -14.273 1.00 0.00 C ATOM 563 C LEU A 36 169.939 11.601 -15.340 1.00 0.00 C ATOM 564 O LEU A 36 170.480 10.537 -15.032 1.00 0.00 O ATOM 565 CB LEU A 36 170.191 12.254 -12.915 1.00 0.00 C ATOM 566 CG LEU A 36 169.315 11.387 -12.000 1.00 0.00 C ATOM 567 CD1 LEU A 36 169.614 9.909 -12.208 1.00 0.00 C ATOM 568 CD2 LEU A 36 169.527 11.772 -10.542 1.00 0.00 C ATOM 0 H LEU A 36 167.613 11.928 -14.025 1.00 0.00 H new ATOM 0 HA LEU A 36 169.990 13.599 -14.581 1.00 0.00 H new ATOM 0 HB2 LEU A 36 171.125 11.724 -13.100 1.00 0.00 H new ATOM 0 HB3 LEU A 36 170.445 13.170 -12.381 1.00 0.00 H new ATOM 0 HG LEU A 36 168.271 11.564 -12.259 1.00 0.00 H new ATOM 0 HD11 LEU A 36 168.982 9.314 -11.549 1.00 0.00 H new ATOM 0 HD12 LEU A 36 169.413 9.640 -13.245 1.00 0.00 H new ATOM 0 HD13 LEU A 36 170.662 9.714 -11.979 1.00 0.00 H new ATOM 0 HD21 LEU A 36 168.899 11.148 -9.906 1.00 0.00 H new ATOM 0 HD22 LEU A 36 170.573 11.624 -10.275 1.00 0.00 H new ATOM 0 HD23 LEU A 36 169.261 12.819 -10.400 1.00 0.00 H new ATOM 580 N HIS A 37 169.650 11.928 -16.602 1.00 0.00 N ATOM 581 CA HIS A 37 169.958 11.034 -17.724 1.00 0.00 C ATOM 582 C HIS A 37 171.468 10.816 -17.870 1.00 0.00 C ATOM 583 O HIS A 37 171.902 9.862 -18.518 1.00 0.00 O ATOM 584 CB HIS A 37 169.384 11.588 -19.036 1.00 0.00 C ATOM 585 CG HIS A 37 169.966 12.909 -19.451 1.00 0.00 C ATOM 586 ND1 HIS A 37 170.859 13.044 -20.495 1.00 0.00 N ATOM 587 CD2 HIS A 37 169.769 14.158 -18.965 1.00 0.00 C ATOM 588 CE1 HIS A 37 171.184 14.318 -20.632 1.00 0.00 C ATOM 589 NE2 HIS A 37 170.536 15.013 -19.716 1.00 0.00 N ATOM 0 H HIS A 37 169.204 12.804 -16.874 1.00 0.00 H new ATOM 0 HA HIS A 37 169.492 10.073 -17.509 1.00 0.00 H new ATOM 0 HB2 HIS A 37 169.556 10.862 -19.830 1.00 0.00 H new ATOM 0 HB3 HIS A 37 168.304 11.696 -18.931 1.00 0.00 H new ATOM 0 HD2 HIS A 37 169.128 14.430 -18.140 1.00 0.00 H new ATOM 0 HE1 HIS A 37 171.864 14.721 -21.368 1.00 0.00 H new ATOM 0 HE2 HIS A 37 170.596 16.023 -19.587 1.00 0.00 H new ATOM 598 N ASP A 38 172.263 11.703 -17.264 1.00 0.00 N ATOM 599 CA ASP A 38 173.718 11.601 -17.328 1.00 0.00 C ATOM 600 C ASP A 38 174.247 10.505 -16.400 1.00 0.00 C ATOM 601 O ASP A 38 175.371 10.033 -16.573 1.00 0.00 O ATOM 602 CB ASP A 38 174.360 12.944 -16.964 1.00 0.00 C ATOM 603 CG ASP A 38 175.626 13.218 -17.755 1.00 0.00 C ATOM 604 OD1 ASP A 38 175.581 13.130 -19.001 1.00 0.00 O ATOM 605 OD2 ASP A 38 176.662 13.526 -17.129 1.00 0.00 O ATOM 0 H ASP A 38 171.921 12.498 -16.725 1.00 0.00 H new ATOM 0 HA ASP A 38 173.985 11.336 -18.351 1.00 0.00 H new ATOM 0 HB2 ASP A 38 173.643 13.746 -17.143 1.00 0.00 H new ATOM 0 HB3 ASP A 38 174.592 12.955 -15.899 1.00 0.00 H new ATOM 610 N TYR A 39 173.432 10.098 -15.421 1.00 0.00 N ATOM 611 CA TYR A 39 173.826 9.054 -14.476 1.00 0.00 C ATOM 612 C TYR A 39 174.187 7.760 -15.206 1.00 0.00 C ATOM 613 O TYR A 39 175.162 7.097 -14.855 1.00 0.00 O ATOM 614 CB TYR A 39 172.702 8.786 -13.475 1.00 0.00 C ATOM 615 CG TYR A 39 173.192 8.448 -12.084 1.00 0.00 C ATOM 616 CD1 TYR A 39 173.766 7.212 -11.807 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.080 9.365 -11.046 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.212 6.901 -10.537 1.00 0.00 C ATOM 619 CE2 TYR A 39 173.524 9.061 -9.773 1.00 0.00 C ATOM 620 CZ TYR A 39 174.088 7.828 -9.524 1.00 0.00 C ATOM 621 OH TYR A 39 174.530 7.520 -8.258 1.00 0.00 O ATOM 0 H TYR A 39 172.498 10.476 -15.265 1.00 0.00 H new ATOM 0 HA TYR A 39 174.706 9.406 -13.939 1.00 0.00 H new ATOM 0 HB2 TYR A 39 172.059 9.665 -13.420 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.088 7.964 -13.844 1.00 0.00 H new ATOM 0 HD1 TYR A 39 173.865 6.483 -12.598 1.00 0.00 H new ATOM 0 HD2 TYR A 39 172.638 10.332 -11.237 1.00 0.00 H new ATOM 0 HE1 TYR A 39 174.656 5.936 -10.339 1.00 0.00 H new ATOM 0 HE2 TYR A 39 173.430 9.785 -8.978 1.00 0.00 H new ATOM 0 HH TYR A 39 174.371 8.281 -7.662 1.00 0.00 H new ATOM 631 N CYS A 40 173.398 7.411 -16.226 1.00 0.00 N ATOM 632 CA CYS A 40 173.644 6.199 -17.010 1.00 0.00 C ATOM 633 C CYS A 40 174.983 6.292 -17.739 1.00 0.00 C ATOM 634 O CYS A 40 175.682 5.289 -17.900 1.00 0.00 O ATOM 635 CB CYS A 40 172.513 5.971 -18.018 1.00 0.00 C ATOM 636 SG CYS A 40 172.155 4.228 -18.344 1.00 0.00 S ATOM 0 H CYS A 40 172.586 7.949 -16.527 1.00 0.00 H new ATOM 0 HA CYS A 40 173.678 5.353 -16.324 1.00 0.00 H new ATOM 0 HB2 CYS A 40 171.608 6.454 -17.648 1.00 0.00 H new ATOM 0 HB3 CYS A 40 172.774 6.459 -18.957 1.00 0.00 H new ATOM 0 HG CYS A 40 171.185 4.138 -19.205 1.00 0.00 H new ATOM 642 N ASP A 41 175.338 7.504 -18.171 1.00 0.00 N ATOM 643 CA ASP A 41 176.598 7.732 -18.872 1.00 0.00 C ATOM 644 C ASP A 41 177.783 7.591 -17.919 1.00 0.00 C ATOM 645 O ASP A 41 178.797 6.983 -18.265 1.00 0.00 O ATOM 646 CB ASP A 41 176.612 9.121 -19.520 1.00 0.00 C ATOM 647 CG ASP A 41 176.820 9.060 -21.021 1.00 0.00 C ATOM 648 OD1 ASP A 41 177.874 8.547 -21.456 1.00 0.00 O ATOM 649 OD2 ASP A 41 175.930 9.524 -21.763 1.00 0.00 O ATOM 0 H ASP A 41 174.769 8.341 -18.046 1.00 0.00 H new ATOM 0 HA ASP A 41 176.688 6.978 -19.654 1.00 0.00 H new ATOM 0 HB2 ASP A 41 175.670 9.627 -19.307 1.00 0.00 H new ATOM 0 HB3 ASP A 41 177.404 9.720 -19.071 1.00 0.00 H new ATOM 654 N ILE A 42 177.645 8.154 -16.716 1.00 0.00 N ATOM 655 CA ILE A 42 178.703 8.090 -15.709 1.00 0.00 C ATOM 656 C ILE A 42 178.801 6.691 -15.094 1.00 0.00 C ATOM 657 O ILE A 42 179.899 6.153 -14.937 1.00 0.00 O ATOM 658 CB ILE A 42 178.482 9.121 -14.577 1.00 0.00 C ATOM 659 CG1 ILE A 42 178.221 10.517 -15.155 1.00 0.00 C ATOM 660 CG2 ILE A 42 179.686 9.152 -13.643 1.00 0.00 C ATOM 661 CD1 ILE A 42 177.552 11.459 -14.177 1.00 0.00 C ATOM 0 H ILE A 42 176.811 8.659 -16.417 1.00 0.00 H new ATOM 0 HA ILE A 42 179.634 8.326 -16.225 1.00 0.00 H new ATOM 0 HB ILE A 42 177.605 8.817 -14.006 1.00 0.00 H new ATOM 0 HG12 ILE A 42 179.168 10.951 -15.476 1.00 0.00 H new ATOM 0 HG13 ILE A 42 177.596 10.423 -16.043 1.00 0.00 H new ATOM 0 HG21 ILE A 42 179.514 9.882 -12.852 1.00 0.00 H new ATOM 0 HG22 ILE A 42 179.829 8.166 -13.201 1.00 0.00 H new ATOM 0 HG23 ILE A 42 180.577 9.430 -14.207 1.00 0.00 H new ATOM 0 HD11 ILE A 42 177.398 12.428 -14.652 1.00 0.00 H new ATOM 0 HD12 ILE A 42 176.590 11.046 -13.874 1.00 0.00 H new ATOM 0 HD13 ILE A 42 178.186 11.583 -13.299 1.00 0.00 H new ATOM 673 N ILE A 43 177.652 6.110 -14.741 1.00 0.00 N ATOM 674 CA ILE A 43 177.616 4.778 -14.137 1.00 0.00 C ATOM 675 C ILE A 43 176.780 3.811 -14.973 1.00 0.00 C ATOM 676 O ILE A 43 175.585 4.030 -15.180 1.00 0.00 O ATOM 677 CB ILE A 43 177.045 4.819 -12.701 1.00 0.00 C ATOM 678 CG1 ILE A 43 177.733 5.913 -11.873 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.199 3.461 -12.026 1.00 0.00 C ATOM 680 CD1 ILE A 43 179.212 5.670 -11.646 1.00 0.00 C ATOM 0 H ILE A 43 176.736 6.541 -14.863 1.00 0.00 H new ATOM 0 HA ILE A 43 178.647 4.427 -14.101 1.00 0.00 H new ATOM 0 HB ILE A 43 175.983 5.056 -12.763 1.00 0.00 H new ATOM 0 HG12 ILE A 43 177.605 6.871 -12.377 1.00 0.00 H new ATOM 0 HG13 ILE A 43 177.235 5.992 -10.907 1.00 0.00 H new ATOM 0 HG21 ILE A 43 176.792 3.508 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.660 2.707 -12.599 1.00 0.00 H new ATOM 0 HG23 ILE A 43 178.255 3.196 -11.979 1.00 0.00 H new ATOM 0 HD11 ILE A 43 179.628 6.485 -11.054 1.00 0.00 H new ATOM 0 HD12 ILE A 43 179.349 4.728 -11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 43 179.724 5.622 -12.607 1.00 0.00 H new ATOM 692 N LYS A 44 177.414 2.736 -15.443 1.00 0.00 N ATOM 693 CA LYS A 44 176.726 1.727 -16.251 1.00 0.00 C ATOM 694 C LYS A 44 175.746 0.906 -15.408 1.00 0.00 C ATOM 695 O LYS A 44 174.693 0.497 -15.898 1.00 0.00 O ATOM 696 CB LYS A 44 177.737 0.795 -16.929 1.00 0.00 C ATOM 697 CG LYS A 44 178.559 -0.037 -15.955 1.00 0.00 C ATOM 698 CD LYS A 44 179.796 -0.616 -16.622 1.00 0.00 C ATOM 699 CE LYS A 44 180.907 -0.875 -15.615 1.00 0.00 C ATOM 700 NZ LYS A 44 180.501 -1.863 -14.573 1.00 0.00 N ATOM 0 H LYS A 44 178.402 2.541 -15.279 1.00 0.00 H new ATOM 0 HA LYS A 44 176.158 2.255 -17.017 1.00 0.00 H new ATOM 0 HB2 LYS A 44 177.203 0.125 -17.603 1.00 0.00 H new ATOM 0 HB3 LYS A 44 178.413 1.392 -17.542 1.00 0.00 H new ATOM 0 HG2 LYS A 44 178.857 0.581 -15.108 1.00 0.00 H new ATOM 0 HG3 LYS A 44 177.946 -0.846 -15.559 1.00 0.00 H new ATOM 0 HD2 LYS A 44 179.536 -1.547 -17.125 1.00 0.00 H new ATOM 0 HD3 LYS A 44 180.152 0.072 -17.389 1.00 0.00 H new ATOM 0 HE2 LYS A 44 181.791 -1.242 -16.137 1.00 0.00 H new ATOM 0 HE3 LYS A 44 181.187 0.063 -15.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 181.318 -2.086 -13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 179.740 -1.460 -13.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 180.162 -2.732 -15.032 1.00 0.00 H new ATOM 714 N HIS A 45 176.100 0.665 -14.144 1.00 0.00 N ATOM 715 CA HIS A 45 175.251 -0.111 -13.241 1.00 0.00 C ATOM 716 C HIS A 45 175.040 0.626 -11.914 1.00 0.00 C ATOM 717 O HIS A 45 175.670 0.300 -10.904 1.00 0.00 O ATOM 718 CB HIS A 45 175.872 -1.488 -12.989 1.00 0.00 C ATOM 719 CG HIS A 45 174.864 -2.575 -12.777 1.00 0.00 C ATOM 720 ND1 HIS A 45 174.192 -2.760 -11.587 1.00 0.00 N ATOM 721 CD2 HIS A 45 174.416 -3.542 -13.614 1.00 0.00 C ATOM 722 CE1 HIS A 45 173.378 -3.795 -11.699 1.00 0.00 C ATOM 723 NE2 HIS A 45 173.494 -4.286 -12.919 1.00 0.00 N ATOM 0 H HIS A 45 176.968 0.996 -13.724 1.00 0.00 H new ATOM 0 HA HIS A 45 174.278 -0.240 -13.715 1.00 0.00 H new ATOM 0 HB2 HIS A 45 176.504 -1.752 -13.837 1.00 0.00 H new ATOM 0 HB3 HIS A 45 176.520 -1.430 -12.114 1.00 0.00 H new ATOM 0 HD2 HIS A 45 174.726 -3.698 -14.637 1.00 0.00 H new ATOM 0 HE1 HIS A 45 172.728 -4.175 -10.924 1.00 0.00 H new ATOM 0 HE2 HIS A 45 172.982 -5.088 -13.286 1.00 0.00 H new ATOM 732 N PRO A 46 174.148 1.638 -11.900 1.00 0.00 N ATOM 733 CA PRO A 46 173.857 2.425 -10.693 1.00 0.00 C ATOM 734 C PRO A 46 173.085 1.623 -9.643 1.00 0.00 C ATOM 735 O PRO A 46 172.063 1.004 -9.950 1.00 0.00 O ATOM 736 CB PRO A 46 173.011 3.585 -11.223 1.00 0.00 C ATOM 737 CG PRO A 46 172.373 3.057 -12.462 1.00 0.00 C ATOM 738 CD PRO A 46 173.359 2.093 -13.062 1.00 0.00 C ATOM 0 HA PRO A 46 174.766 2.744 -10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 46 172.262 3.894 -10.494 1.00 0.00 H new ATOM 0 HB3 PRO A 46 173.627 4.458 -11.437 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.431 2.559 -12.233 1.00 0.00 H new ATOM 0 HG3 PRO A 46 172.145 3.865 -13.158 1.00 0.00 H new ATOM 0 HD2 PRO A 46 172.857 1.261 -13.557 1.00 0.00 H new ATOM 0 HD3 PRO A 46 173.988 2.576 -13.810 1.00 0.00 H new ATOM 746 N MET A 47 173.584 1.635 -8.405 1.00 0.00 N ATOM 747 CA MET A 47 172.946 0.906 -7.308 1.00 0.00 C ATOM 748 C MET A 47 172.807 1.780 -6.060 1.00 0.00 C ATOM 749 O MET A 47 173.561 2.737 -5.874 1.00 0.00 O ATOM 750 CB MET A 47 173.748 -0.355 -6.972 1.00 0.00 C ATOM 751 CG MET A 47 173.568 -1.477 -7.982 1.00 0.00 C ATOM 752 SD MET A 47 174.240 -3.047 -7.405 1.00 0.00 S ATOM 753 CE MET A 47 172.978 -3.549 -6.237 1.00 0.00 C ATOM 0 H MET A 47 174.428 2.142 -8.138 1.00 0.00 H new ATOM 0 HA MET A 47 171.946 0.623 -7.637 1.00 0.00 H new ATOM 0 HB2 MET A 47 174.805 -0.098 -6.912 1.00 0.00 H new ATOM 0 HB3 MET A 47 173.450 -0.713 -5.986 1.00 0.00 H new ATOM 0 HG2 MET A 47 172.507 -1.598 -8.199 1.00 0.00 H new ATOM 0 HG3 MET A 47 174.055 -1.200 -8.917 1.00 0.00 H new ATOM 0 HE1 MET A 47 173.294 -4.461 -5.730 1.00 0.00 H new ATOM 0 HE2 MET A 47 172.827 -2.758 -5.502 1.00 0.00 H new ATOM 0 HE3 MET A 47 172.044 -3.734 -6.768 1.00 0.00 H new ATOM 763 N ASP A 48 171.837 1.440 -5.207 1.00 0.00 N ATOM 764 CA ASP A 48 171.595 2.188 -3.971 1.00 0.00 C ATOM 765 C ASP A 48 171.263 1.250 -2.810 1.00 0.00 C ATOM 766 O ASP A 48 170.988 0.067 -3.017 1.00 0.00 O ATOM 767 CB ASP A 48 170.451 3.188 -4.169 1.00 0.00 C ATOM 768 CG ASP A 48 170.932 4.521 -4.707 1.00 0.00 C ATOM 769 OD1 ASP A 48 171.565 5.277 -3.941 1.00 0.00 O ATOM 770 OD2 ASP A 48 170.673 4.811 -5.895 1.00 0.00 O ATOM 0 H ASP A 48 171.206 0.651 -5.350 1.00 0.00 H new ATOM 0 HA ASP A 48 172.510 2.728 -3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.718 2.765 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 48 169.942 3.346 -3.218 1.00 0.00 H new ATOM 775 N MET A 49 171.282 1.792 -1.587 1.00 0.00 N ATOM 776 CA MET A 49 170.974 1.005 -0.389 1.00 0.00 C ATOM 777 C MET A 49 169.595 0.358 -0.502 1.00 0.00 C ATOM 778 O MET A 49 169.420 -0.807 -0.144 1.00 0.00 O ATOM 779 CB MET A 49 171.033 1.882 0.867 1.00 0.00 C ATOM 780 CG MET A 49 171.623 1.175 2.079 1.00 0.00 C ATOM 781 SD MET A 49 173.427 1.182 2.080 1.00 0.00 S ATOM 782 CE MET A 49 173.764 2.612 3.106 1.00 0.00 C ATOM 0 H MET A 49 171.507 2.770 -1.402 1.00 0.00 H new ATOM 0 HA MET A 49 171.725 0.219 -0.307 1.00 0.00 H new ATOM 0 HB2 MET A 49 171.626 2.771 0.651 1.00 0.00 H new ATOM 0 HB3 MET A 49 170.026 2.222 1.110 1.00 0.00 H new ATOM 0 HG2 MET A 49 171.261 1.657 2.987 1.00 0.00 H new ATOM 0 HG3 MET A 49 171.268 0.145 2.102 1.00 0.00 H new ATOM 0 HE1 MET A 49 174.842 2.746 3.200 1.00 0.00 H new ATOM 0 HE2 MET A 49 173.326 3.499 2.649 1.00 0.00 H new ATOM 0 HE3 MET A 49 173.329 2.461 4.094 1.00 0.00 H new ATOM 792 N SER A 50 168.622 1.119 -1.012 1.00 0.00 N ATOM 793 CA SER A 50 167.261 0.613 -1.184 1.00 0.00 C ATOM 794 C SER A 50 167.242 -0.563 -2.161 1.00 0.00 C ATOM 795 O SER A 50 166.522 -1.539 -1.954 1.00 0.00 O ATOM 796 CB SER A 50 166.333 1.725 -1.687 1.00 0.00 C ATOM 797 OG SER A 50 165.037 1.605 -1.125 1.00 0.00 O ATOM 0 H SER A 50 168.753 2.085 -1.312 1.00 0.00 H new ATOM 0 HA SER A 50 166.903 0.268 -0.214 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.754 2.697 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.266 1.682 -2.774 1.00 0.00 H new ATOM 0 HG SER A 50 164.466 2.327 -1.461 1.00 0.00 H new ATOM 803 N THR A 51 168.047 -0.464 -3.222 1.00 0.00 N ATOM 804 CA THR A 51 168.129 -1.522 -4.226 1.00 0.00 C ATOM 805 C THR A 51 168.706 -2.801 -3.621 1.00 0.00 C ATOM 806 O THR A 51 168.186 -3.895 -3.850 1.00 0.00 O ATOM 807 CB THR A 51 168.985 -1.072 -5.419 1.00 0.00 C ATOM 808 OG1 THR A 51 168.872 0.326 -5.632 1.00 0.00 O ATOM 809 CG2 THR A 51 168.616 -1.766 -6.714 1.00 0.00 C ATOM 0 H THR A 51 168.650 0.338 -3.406 1.00 0.00 H new ATOM 0 HA THR A 51 167.119 -1.729 -4.578 1.00 0.00 H new ATOM 0 HB THR A 51 170.007 -1.344 -5.154 1.00 0.00 H new ATOM 0 HG1 THR A 51 169.428 0.587 -6.396 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.258 -1.403 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 51 168.749 -2.842 -6.601 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.575 -1.553 -6.957 1.00 0.00 H new ATOM 817 N ILE A 52 169.782 -2.657 -2.843 1.00 0.00 N ATOM 818 CA ILE A 52 170.425 -3.803 -2.205 1.00 0.00 C ATOM 819 C ILE A 52 169.541 -4.389 -1.103 1.00 0.00 C ATOM 820 O ILE A 52 169.376 -5.606 -1.015 1.00 0.00 O ATOM 821 CB ILE A 52 171.803 -3.430 -1.608 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.680 -2.737 -2.657 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.503 -4.673 -1.072 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.827 -1.947 -2.064 1.00 0.00 C ATOM 0 H ILE A 52 170.223 -1.760 -2.642 1.00 0.00 H new ATOM 0 HA ILE A 52 170.574 -4.551 -2.984 1.00 0.00 H new ATOM 0 HB ILE A 52 171.641 -2.736 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.081 -3.489 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 52 172.059 -2.068 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.471 -4.394 -0.655 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.891 -5.128 -0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.649 -5.387 -1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.403 -1.485 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 52 173.433 -1.172 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.471 -2.615 -1.492 1.00 0.00 H new ATOM 836 N LYS A 53 168.968 -3.520 -0.268 1.00 0.00 N ATOM 837 CA LYS A 53 168.097 -3.967 0.820 1.00 0.00 C ATOM 838 C LYS A 53 166.835 -4.635 0.272 1.00 0.00 C ATOM 839 O LYS A 53 166.322 -5.579 0.871 1.00 0.00 O ATOM 840 CB LYS A 53 167.713 -2.796 1.731 1.00 0.00 C ATOM 841 CG LYS A 53 168.624 -2.634 2.938 1.00 0.00 C ATOM 842 CD LYS A 53 167.901 -1.970 4.101 1.00 0.00 C ATOM 843 CE LYS A 53 168.474 -2.409 5.442 1.00 0.00 C ATOM 844 NZ LYS A 53 169.354 -1.369 6.051 1.00 0.00 N ATOM 0 H LYS A 53 169.090 -2.509 -0.324 1.00 0.00 H new ATOM 0 HA LYS A 53 168.653 -4.699 1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.729 -1.875 1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.689 -2.937 2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 53 168.994 -3.611 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 53 169.493 -2.037 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A 53 167.980 -0.887 4.008 1.00 0.00 H new ATOM 0 HD3 LYS A 53 166.840 -2.217 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 53 167.657 -2.636 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 53 169.043 -3.329 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 169.445 -1.546 7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 170.294 -1.407 5.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 168.937 -0.429 5.898 1.00 0.00 H new ATOM 858 N SER A 54 166.342 -4.140 -0.869 1.00 0.00 N ATOM 859 CA SER A 54 165.138 -4.692 -1.496 1.00 0.00 C ATOM 860 C SER A 54 165.307 -6.183 -1.794 1.00 0.00 C ATOM 861 O SER A 54 164.379 -6.968 -1.597 1.00 0.00 O ATOM 862 CB SER A 54 164.808 -3.932 -2.786 1.00 0.00 C ATOM 863 OG SER A 54 163.618 -4.421 -3.382 1.00 0.00 O ATOM 0 H SER A 54 166.759 -3.359 -1.376 1.00 0.00 H new ATOM 0 HA SER A 54 164.312 -4.574 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 54 164.698 -2.870 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 54 165.635 -4.028 -3.489 1.00 0.00 H new ATOM 0 HG SER A 54 163.432 -3.917 -4.202 1.00 0.00 H new ATOM 869 N LYS A 55 166.499 -6.571 -2.258 1.00 0.00 N ATOM 870 CA LYS A 55 166.781 -7.974 -2.563 1.00 0.00 C ATOM 871 C LYS A 55 166.647 -8.822 -1.301 1.00 0.00 C ATOM 872 O LYS A 55 165.968 -9.850 -1.303 1.00 0.00 O ATOM 873 CB LYS A 55 168.185 -8.127 -3.161 1.00 0.00 C ATOM 874 CG LYS A 55 168.188 -8.579 -4.614 1.00 0.00 C ATOM 875 CD LYS A 55 167.606 -7.515 -5.536 1.00 0.00 C ATOM 876 CE LYS A 55 166.131 -7.764 -5.825 1.00 0.00 C ATOM 877 NZ LYS A 55 165.891 -8.158 -7.244 1.00 0.00 N ATOM 0 H LYS A 55 167.279 -5.936 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 55 166.056 -8.320 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.708 -7.173 -3.086 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.747 -8.846 -2.565 1.00 0.00 H new ATOM 0 HG2 LYS A 55 169.208 -8.809 -4.922 1.00 0.00 H new ATOM 0 HG3 LYS A 55 167.611 -9.499 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 55 167.726 -6.533 -5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 55 168.163 -7.501 -6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 55 165.761 -8.548 -5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 55 165.561 -6.862 -5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 164.922 -7.896 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 166.570 -7.667 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 166.013 -9.186 -7.344 1.00 0.00 H new ATOM 891 N LEU A 56 167.282 -8.370 -0.220 1.00 0.00 N ATOM 892 CA LEU A 56 167.222 -9.070 1.062 1.00 0.00 C ATOM 893 C LEU A 56 165.782 -9.105 1.587 1.00 0.00 C ATOM 894 O LEU A 56 165.359 -10.094 2.187 1.00 0.00 O ATOM 895 CB LEU A 56 168.154 -8.388 2.076 1.00 0.00 C ATOM 896 CG LEU A 56 167.931 -8.756 3.550 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.207 -10.235 3.789 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.811 -7.899 4.451 1.00 0.00 C ATOM 0 H LEU A 56 167.845 -7.520 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 56 167.555 -10.098 0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.184 -8.631 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 56 168.044 -7.309 1.971 1.00 0.00 H new ATOM 0 HG LEU A 56 166.887 -8.561 3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.042 -10.471 4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.536 -10.834 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.240 -10.460 3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.641 -8.172 5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.859 -8.063 4.199 1.00 0.00 H new ATOM 0 HD23 LEU A 56 168.564 -6.847 4.307 1.00 0.00 H new ATOM 910 N GLU A 57 165.033 -8.022 1.345 1.00 0.00 N ATOM 911 CA GLU A 57 163.638 -7.928 1.782 1.00 0.00 C ATOM 912 C GLU A 57 162.786 -9.037 1.159 1.00 0.00 C ATOM 913 O GLU A 57 161.921 -9.610 1.823 1.00 0.00 O ATOM 914 CB GLU A 57 163.049 -6.561 1.417 1.00 0.00 C ATOM 915 CG GLU A 57 163.639 -5.410 2.214 1.00 0.00 C ATOM 916 CD GLU A 57 162.578 -4.500 2.801 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.984 -4.871 3.834 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.341 -3.418 2.225 1.00 0.00 O ATOM 0 H GLU A 57 165.372 -7.198 0.848 1.00 0.00 H new ATOM 0 HA GLU A 57 163.625 -8.047 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.211 -6.377 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.971 -6.586 1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.255 -5.810 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.296 -4.826 1.569 1.00 0.00 H new ATOM 925 N ALA A 58 163.038 -9.335 -0.119 1.00 0.00 N ATOM 926 CA ALA A 58 162.292 -10.377 -0.828 1.00 0.00 C ATOM 927 C ALA A 58 162.941 -11.762 -0.674 1.00 0.00 C ATOM 928 O ALA A 58 162.617 -12.687 -1.420 1.00 0.00 O ATOM 929 CB ALA A 58 162.158 -10.016 -2.303 1.00 0.00 C ATOM 0 H ALA A 58 163.751 -8.871 -0.682 1.00 0.00 H new ATOM 0 HA ALA A 58 161.301 -10.433 -0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 58 161.602 -10.798 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.627 -9.069 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.149 -9.923 -2.746 1.00 0.00 H new ATOM 935 N ARG A 59 163.859 -11.902 0.293 1.00 0.00 N ATOM 936 CA ARG A 59 164.551 -13.171 0.536 1.00 0.00 C ATOM 937 C ARG A 59 165.354 -13.621 -0.691 1.00 0.00 C ATOM 938 O ARG A 59 165.588 -14.817 -0.882 1.00 0.00 O ATOM 939 CB ARG A 59 163.555 -14.266 0.945 1.00 0.00 C ATOM 940 CG ARG A 59 164.097 -15.219 2.003 1.00 0.00 C ATOM 941 CD ARG A 59 163.107 -15.422 3.143 1.00 0.00 C ATOM 942 NE ARG A 59 163.754 -15.935 4.353 1.00 0.00 N ATOM 943 CZ ARG A 59 164.101 -17.215 4.537 1.00 0.00 C ATOM 944 NH1 ARG A 59 163.875 -18.122 3.589 1.00 0.00 N ATOM 945 NH2 ARG A 59 164.680 -17.587 5.674 1.00 0.00 N ATOM 0 H ARG A 59 164.139 -11.148 0.920 1.00 0.00 H new ATOM 0 HA ARG A 59 165.251 -13.006 1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 59 162.646 -13.797 1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 59 163.275 -14.839 0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 59 164.324 -16.181 1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 59 165.033 -14.827 2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 59 162.617 -14.475 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 59 162.329 -16.117 2.827 1.00 0.00 H new ATOM 0 HE ARG A 59 163.953 -15.274 5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 59 163.434 -17.844 2.712 1.00 0.00 H new ATOM 0 HH12 ARG A 59 164.143 -19.095 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 59 164.859 -16.898 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 59 164.945 -18.562 5.816 1.00 0.00 H new ATOM 959 N GLU A 60 165.792 -12.660 -1.511 1.00 0.00 N ATOM 960 CA GLU A 60 166.583 -12.970 -2.702 1.00 0.00 C ATOM 961 C GLU A 60 168.023 -13.301 -2.319 1.00 0.00 C ATOM 962 O GLU A 60 168.658 -14.159 -2.935 1.00 0.00 O ATOM 963 CB GLU A 60 166.564 -11.802 -3.693 1.00 0.00 C ATOM 964 CG GLU A 60 165.214 -11.587 -4.363 1.00 0.00 C ATOM 965 CD GLU A 60 165.316 -11.436 -5.872 1.00 0.00 C ATOM 966 OE1 GLU A 60 166.241 -10.741 -6.343 1.00 0.00 O ATOM 967 OE2 GLU A 60 164.466 -12.010 -6.583 1.00 0.00 O ATOM 0 H GLU A 60 165.612 -11.666 -1.371 1.00 0.00 H new ATOM 0 HA GLU A 60 166.135 -13.840 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 60 166.849 -10.889 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 60 167.317 -11.977 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 60 164.562 -12.429 -4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 60 164.745 -10.696 -3.945 1.00 0.00 H new ATOM 974 N TYR A 61 168.531 -12.616 -1.292 1.00 0.00 N ATOM 975 CA TYR A 61 169.893 -12.840 -0.818 1.00 0.00 C ATOM 976 C TYR A 61 169.991 -14.159 -0.060 1.00 0.00 C ATOM 977 O TYR A 61 169.539 -14.267 1.081 1.00 0.00 O ATOM 978 CB TYR A 61 170.347 -11.682 0.077 1.00 0.00 C ATOM 979 CG TYR A 61 171.005 -10.548 -0.683 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.067 -10.790 -1.548 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.564 -9.238 -0.536 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.670 -9.760 -2.242 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.164 -8.203 -1.228 1.00 0.00 C ATOM 984 CZ TYR A 61 172.215 -8.469 -2.079 1.00 0.00 C ATOM 985 OH TYR A 61 172.814 -7.437 -2.768 1.00 0.00 O ATOM 0 H TYR A 61 168.018 -11.902 -0.775 1.00 0.00 H new ATOM 0 HA TYR A 61 170.550 -12.890 -1.686 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.485 -11.293 0.618 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.046 -12.062 0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.426 -11.800 -1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.740 -9.026 0.129 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.494 -9.965 -2.909 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.811 -7.190 -1.102 1.00 0.00 H new ATOM 0 HH TYR A 61 173.348 -7.802 -3.505 1.00 0.00 H new ATOM 995 N ARG A 62 170.584 -15.161 -0.705 1.00 0.00 N ATOM 996 CA ARG A 62 170.745 -16.479 -0.097 1.00 0.00 C ATOM 997 C ARG A 62 171.927 -16.503 0.875 1.00 0.00 C ATOM 998 O ARG A 62 171.928 -17.278 1.834 1.00 0.00 O ATOM 999 CB ARG A 62 170.936 -17.546 -1.179 1.00 0.00 C ATOM 1000 CG ARG A 62 169.698 -17.775 -2.036 1.00 0.00 C ATOM 1001 CD ARG A 62 170.055 -18.373 -3.389 1.00 0.00 C ATOM 1002 NE ARG A 62 169.041 -18.082 -4.404 1.00 0.00 N ATOM 1003 CZ ARG A 62 169.203 -18.309 -5.712 1.00 0.00 C ATOM 1004 NH1 ARG A 62 170.335 -18.836 -6.173 1.00 0.00 N ATOM 1005 NH2 ARG A 62 168.228 -18.009 -6.563 1.00 0.00 N ATOM 0 H ARG A 62 170.961 -15.085 -1.650 1.00 0.00 H new ATOM 0 HA ARG A 62 169.838 -16.698 0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 62 171.765 -17.253 -1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 62 171.218 -18.486 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 62 169.011 -18.441 -1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 62 169.176 -16.829 -2.182 1.00 0.00 H new ATOM 0 HD2 ARG A 62 171.018 -17.980 -3.716 1.00 0.00 H new ATOM 0 HD3 ARG A 62 170.168 -19.453 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 62 168.156 -17.681 -4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 62 171.089 -19.071 -5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 62 170.449 -19.005 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 62 167.357 -17.606 -6.219 1.00 0.00 H new ATOM 0 HH22 ARG A 62 168.351 -18.182 -7.561 1.00 0.00 H new ATOM 1019 N ASP A 63 172.930 -15.654 0.626 1.00 0.00 N ATOM 1020 CA ASP A 63 174.109 -15.591 1.488 1.00 0.00 C ATOM 1021 C ASP A 63 174.713 -14.186 1.514 1.00 0.00 C ATOM 1022 O ASP A 63 174.419 -13.355 0.651 1.00 0.00 O ATOM 1023 CB ASP A 63 175.161 -16.604 1.021 1.00 0.00 C ATOM 1024 CG ASP A 63 175.931 -17.223 2.175 1.00 0.00 C ATOM 1025 OD1 ASP A 63 175.302 -17.565 3.198 1.00 0.00 O ATOM 1026 OD2 ASP A 63 177.166 -17.365 2.052 1.00 0.00 O ATOM 0 H ASP A 63 172.947 -15.006 -0.161 1.00 0.00 H new ATOM 0 HA ASP A 63 173.792 -15.839 2.501 1.00 0.00 H new ATOM 0 HB2 ASP A 63 174.671 -17.394 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 63 175.860 -16.111 0.346 1.00 0.00 H new ATOM 1031 N ALA A 64 175.567 -13.933 2.511 1.00 0.00 N ATOM 1032 CA ALA A 64 176.225 -12.634 2.657 1.00 0.00 C ATOM 1033 C ALA A 64 177.272 -12.401 1.563 1.00 0.00 C ATOM 1034 O ALA A 64 177.675 -11.261 1.322 1.00 0.00 O ATOM 1035 CB ALA A 64 176.868 -12.512 4.032 1.00 0.00 C ATOM 0 H ALA A 64 175.818 -14.613 3.229 1.00 0.00 H new ATOM 0 HA ALA A 64 175.457 -11.867 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.352 -11.540 4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 64 176.102 -12.609 4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.610 -13.300 4.158 1.00 0.00 H new ATOM 1041 N GLN A 65 177.706 -13.478 0.899 1.00 0.00 N ATOM 1042 CA GLN A 65 178.699 -13.370 -0.168 1.00 0.00 C ATOM 1043 C GLN A 65 178.154 -12.532 -1.325 1.00 0.00 C ATOM 1044 O GLN A 65 178.858 -11.678 -1.868 1.00 0.00 O ATOM 1045 CB GLN A 65 179.104 -14.761 -0.672 1.00 0.00 C ATOM 1046 CG GLN A 65 180.412 -15.270 -0.086 1.00 0.00 C ATOM 1047 CD GLN A 65 181.609 -14.439 -0.515 1.00 0.00 C ATOM 1048 OE1 GLN A 65 181.926 -14.356 -1.701 1.00 0.00 O ATOM 1049 NE2 GLN A 65 182.281 -13.819 0.450 1.00 0.00 N ATOM 0 H GLN A 65 177.385 -14.429 1.083 1.00 0.00 H new ATOM 0 HA GLN A 65 179.581 -12.875 0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 65 178.310 -15.469 -0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 65 179.190 -14.733 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 65 180.344 -15.267 1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.565 -16.305 -0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 65 181.984 -13.915 1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 65 183.094 -13.247 0.219 1.00 0.00 H new ATOM 1058 N GLU A 66 176.893 -12.772 -1.686 1.00 0.00 N ATOM 1059 CA GLU A 66 176.246 -12.030 -2.766 1.00 0.00 C ATOM 1060 C GLU A 66 175.988 -10.578 -2.351 1.00 0.00 C ATOM 1061 O GLU A 66 176.116 -9.660 -3.162 1.00 0.00 O ATOM 1062 CB GLU A 66 174.930 -12.707 -3.159 1.00 0.00 C ATOM 1063 CG GLU A 66 174.592 -12.568 -4.634 1.00 0.00 C ATOM 1064 CD GLU A 66 173.626 -13.633 -5.116 1.00 0.00 C ATOM 1065 OE1 GLU A 66 174.039 -14.808 -5.216 1.00 0.00 O ATOM 1066 OE2 GLU A 66 172.457 -13.294 -5.393 1.00 0.00 O ATOM 0 H GLU A 66 176.300 -13.475 -1.245 1.00 0.00 H new ATOM 0 HA GLU A 66 176.915 -12.028 -3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 66 174.986 -13.766 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.120 -12.280 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 66 174.159 -11.584 -4.812 1.00 0.00 H new ATOM 0 HG3 GLU A 66 175.510 -12.624 -5.220 1.00 0.00 H new ATOM 1073 N PHE A 67 175.632 -10.380 -1.078 1.00 0.00 N ATOM 1074 CA PHE A 67 175.365 -9.043 -0.546 1.00 0.00 C ATOM 1075 C PHE A 67 176.638 -8.202 -0.546 1.00 0.00 C ATOM 1076 O PHE A 67 176.659 -7.094 -1.084 1.00 0.00 O ATOM 1077 CB PHE A 67 174.803 -9.142 0.877 1.00 0.00 C ATOM 1078 CG PHE A 67 174.269 -7.843 1.422 1.00 0.00 C ATOM 1079 CD1 PHE A 67 175.130 -6.868 1.903 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.906 -7.603 1.459 1.00 0.00 C ATOM 1081 CE1 PHE A 67 174.639 -5.680 2.409 1.00 0.00 C ATOM 1082 CE2 PHE A 67 172.409 -6.415 1.963 1.00 0.00 C ATOM 1083 CZ PHE A 67 173.277 -5.453 2.438 1.00 0.00 C ATOM 0 H PHE A 67 175.522 -11.131 -0.397 1.00 0.00 H new ATOM 0 HA PHE A 67 174.628 -8.559 -1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.004 -9.884 0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.587 -9.507 1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 67 176.196 -7.039 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 67 172.222 -8.353 1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 67 175.320 -4.929 2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 67 171.343 -6.240 1.985 1.00 0.00 H new ATOM 0 HZ PHE A 67 172.892 -4.524 2.832 1.00 0.00 H new ATOM 1093 N GLY A 68 177.698 -8.744 0.057 1.00 0.00 N ATOM 1094 CA GLY A 68 178.970 -8.043 0.117 1.00 0.00 C ATOM 1095 C GLY A 68 179.500 -7.677 -1.257 1.00 0.00 C ATOM 1096 O GLY A 68 180.073 -6.602 -1.436 1.00 0.00 O ATOM 0 H GLY A 68 177.696 -9.660 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.853 -7.136 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.701 -8.668 0.630 1.00 0.00 H new ATOM 1100 N ALA A 69 179.301 -8.571 -2.232 1.00 0.00 N ATOM 1101 CA ALA A 69 179.756 -8.332 -3.601 1.00 0.00 C ATOM 1102 C ALA A 69 179.115 -7.071 -4.179 1.00 0.00 C ATOM 1103 O ALA A 69 179.785 -6.266 -4.826 1.00 0.00 O ATOM 1104 CB ALA A 69 179.452 -9.536 -4.485 1.00 0.00 C ATOM 0 H ALA A 69 178.828 -9.465 -2.096 1.00 0.00 H new ATOM 0 HA ALA A 69 180.836 -8.183 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.798 -9.339 -5.500 1.00 0.00 H new ATOM 0 HB2 ALA A 69 179.963 -10.415 -4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.377 -9.717 -4.497 1.00 0.00 H new ATOM 1110 N ASP A 70 177.813 -6.903 -3.933 1.00 0.00 N ATOM 1111 CA ASP A 70 177.082 -5.737 -4.424 1.00 0.00 C ATOM 1112 C ASP A 70 177.488 -4.471 -3.669 1.00 0.00 C ATOM 1113 O ASP A 70 177.610 -3.401 -4.266 1.00 0.00 O ATOM 1114 CB ASP A 70 175.570 -5.956 -4.302 1.00 0.00 C ATOM 1115 CG ASP A 70 175.013 -6.781 -5.445 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.087 -6.318 -6.603 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.503 -7.890 -5.182 1.00 0.00 O ATOM 0 H ASP A 70 177.246 -7.560 -3.397 1.00 0.00 H new ATOM 0 HA ASP A 70 177.337 -5.607 -5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.353 -6.455 -3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 70 175.066 -4.990 -4.275 1.00 0.00 H new ATOM 1122 N VAL A 71 177.699 -4.597 -2.358 1.00 0.00 N ATOM 1123 CA VAL A 71 178.092 -3.453 -1.537 1.00 0.00 C ATOM 1124 C VAL A 71 179.443 -2.898 -1.982 1.00 0.00 C ATOM 1125 O VAL A 71 179.588 -1.691 -2.180 1.00 0.00 O ATOM 1126 CB VAL A 71 178.166 -3.814 -0.038 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.467 -2.575 0.794 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.874 -4.473 0.426 1.00 0.00 C ATOM 0 H VAL A 71 177.605 -5.474 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 71 177.321 -2.695 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 71 178.978 -4.528 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.516 -2.848 1.848 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.423 -2.152 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.679 -1.837 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 71 176.951 -4.718 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 71 176.040 -3.788 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.705 -5.385 -0.146 1.00 0.00 H new ATOM 1138 N ARG A 72 180.427 -3.784 -2.149 1.00 0.00 N ATOM 1139 CA ARG A 72 181.761 -3.372 -2.582 1.00 0.00 C ATOM 1140 C ARG A 72 181.712 -2.782 -3.993 1.00 0.00 C ATOM 1141 O ARG A 72 182.411 -1.811 -4.292 1.00 0.00 O ATOM 1142 CB ARG A 72 182.735 -4.555 -2.537 1.00 0.00 C ATOM 1143 CG ARG A 72 183.332 -4.810 -1.160 1.00 0.00 C ATOM 1144 CD ARG A 72 184.214 -3.656 -0.700 1.00 0.00 C ATOM 1145 NE ARG A 72 183.824 -3.158 0.620 1.00 0.00 N ATOM 1146 CZ ARG A 72 184.026 -3.825 1.764 1.00 0.00 C ATOM 1147 NH1 ARG A 72 184.617 -5.018 1.756 1.00 0.00 N ATOM 1148 NH2 ARG A 72 183.635 -3.297 2.919 1.00 0.00 N ATOM 0 H ARG A 72 180.325 -4.787 -1.991 1.00 0.00 H new ATOM 0 HA ARG A 72 182.117 -2.604 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 72 182.215 -5.454 -2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 72 183.544 -4.374 -3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 72 182.529 -4.963 -0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 72 183.919 -5.728 -1.183 1.00 0.00 H new ATOM 0 HD2 ARG A 72 185.253 -3.984 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 72 184.156 -2.844 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 72 183.370 -2.246 0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 72 184.920 -5.431 0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 72 184.767 -5.519 2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 72 183.181 -2.384 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 72 183.789 -3.805 3.790 1.00 0.00 H new ATOM 1162 N LEU A 73 180.873 -3.370 -4.854 1.00 0.00 N ATOM 1163 CA LEU A 73 180.723 -2.897 -6.232 1.00 0.00 C ATOM 1164 C LEU A 73 180.118 -1.493 -6.257 1.00 0.00 C ATOM 1165 O LEU A 73 180.631 -0.599 -6.936 1.00 0.00 O ATOM 1166 CB LEU A 73 179.844 -3.868 -7.035 1.00 0.00 C ATOM 1167 CG LEU A 73 179.583 -3.471 -8.494 1.00 0.00 C ATOM 1168 CD1 LEU A 73 179.687 -4.685 -9.407 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.215 -2.814 -8.637 1.00 0.00 C ATOM 0 H LEU A 73 180.289 -4.173 -4.620 1.00 0.00 H new ATOM 0 HA LEU A 73 181.711 -2.855 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 73 180.315 -4.851 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.885 -3.967 -6.527 1.00 0.00 H new ATOM 0 HG LEU A 73 180.344 -2.749 -8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 73 179.499 -4.383 -10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 73 180.687 -5.113 -9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 73 178.950 -5.430 -9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 73 178.050 -2.540 -9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.441 -3.512 -8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 73 178.174 -1.919 -8.016 1.00 0.00 H new ATOM 1181 N MET A 74 179.030 -1.305 -5.506 1.00 0.00 N ATOM 1182 CA MET A 74 178.355 -0.010 -5.433 1.00 0.00 C ATOM 1183 C MET A 74 179.259 1.046 -4.799 1.00 0.00 C ATOM 1184 O MET A 74 179.321 2.177 -5.276 1.00 0.00 O ATOM 1185 CB MET A 74 177.051 -0.124 -4.637 1.00 0.00 C ATOM 1186 CG MET A 74 176.123 1.069 -4.812 1.00 0.00 C ATOM 1187 SD MET A 74 176.261 2.261 -3.466 1.00 0.00 S ATOM 1188 CE MET A 74 174.747 1.939 -2.566 1.00 0.00 C ATOM 0 H MET A 74 178.598 -2.035 -4.940 1.00 0.00 H new ATOM 0 HA MET A 74 178.122 0.300 -6.452 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.527 -1.029 -4.943 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.290 -0.236 -3.579 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.350 1.565 -5.756 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.093 0.717 -4.876 1.00 0.00 H new ATOM 0 HE1 MET A 74 174.235 2.880 -2.367 1.00 0.00 H new ATOM 0 HE2 MET A 74 174.101 1.292 -3.160 1.00 0.00 H new ATOM 0 HE3 MET A 74 174.982 1.448 -1.622 1.00 0.00 H new ATOM 1198 N PHE A 75 179.957 0.669 -3.723 1.00 0.00 N ATOM 1199 CA PHE A 75 180.860 1.591 -3.031 1.00 0.00 C ATOM 1200 C PHE A 75 181.919 2.142 -3.986 1.00 0.00 C ATOM 1201 O PHE A 75 182.220 3.337 -3.964 1.00 0.00 O ATOM 1202 CB PHE A 75 181.542 0.899 -1.845 1.00 0.00 C ATOM 1203 CG PHE A 75 180.983 1.306 -0.511 1.00 0.00 C ATOM 1204 CD1 PHE A 75 181.358 2.506 0.075 1.00 0.00 C ATOM 1205 CD2 PHE A 75 180.082 0.492 0.156 1.00 0.00 C ATOM 1206 CE1 PHE A 75 180.843 2.884 1.300 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.565 0.865 1.381 1.00 0.00 C ATOM 1208 CZ PHE A 75 179.946 2.063 1.954 1.00 0.00 C ATOM 0 H PHE A 75 179.914 -0.265 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 75 180.260 2.421 -2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.442 -0.181 -1.958 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.608 1.124 -1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 75 182.060 3.152 -0.432 1.00 0.00 H new ATOM 0 HD2 PHE A 75 179.780 -0.445 -0.287 1.00 0.00 H new ATOM 0 HE1 PHE A 75 181.142 3.821 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 75 178.864 0.221 1.891 1.00 0.00 H new ATOM 0 HZ PHE A 75 179.543 2.357 2.912 1.00 0.00 H new ATOM 1218 N SER A 76 182.476 1.265 -4.827 1.00 0.00 N ATOM 1219 CA SER A 76 183.496 1.669 -5.794 1.00 0.00 C ATOM 1220 C SER A 76 182.923 2.667 -6.800 1.00 0.00 C ATOM 1221 O SER A 76 183.562 3.671 -7.121 1.00 0.00 O ATOM 1222 CB SER A 76 184.061 0.450 -6.532 1.00 0.00 C ATOM 1223 OG SER A 76 185.400 0.676 -6.938 1.00 0.00 O ATOM 0 H SER A 76 182.237 0.274 -4.856 1.00 0.00 H new ATOM 0 HA SER A 76 184.305 2.150 -5.244 1.00 0.00 H new ATOM 0 HB2 SER A 76 184.017 -0.425 -5.883 1.00 0.00 H new ATOM 0 HB3 SER A 76 183.445 0.231 -7.404 1.00 0.00 H new ATOM 0 HG SER A 76 185.738 -0.116 -7.405 1.00 0.00 H new ATOM 1229 N ASN A 77 181.712 2.389 -7.288 1.00 0.00 N ATOM 1230 CA ASN A 77 181.050 3.268 -8.251 1.00 0.00 C ATOM 1231 C ASN A 77 180.625 4.578 -7.592 1.00 0.00 C ATOM 1232 O ASN A 77 180.771 5.652 -8.179 1.00 0.00 O ATOM 1233 CB ASN A 77 179.830 2.577 -8.866 1.00 0.00 C ATOM 1234 CG ASN A 77 180.196 1.713 -10.059 1.00 0.00 C ATOM 1235 OD1 ASN A 77 180.695 2.209 -11.068 1.00 0.00 O ATOM 1236 ND2 ASN A 77 179.948 0.412 -9.950 1.00 0.00 N ATOM 0 H ASN A 77 181.171 1.563 -7.032 1.00 0.00 H new ATOM 0 HA ASN A 77 181.765 3.491 -9.042 1.00 0.00 H new ATOM 0 HB2 ASN A 77 179.345 1.960 -8.109 1.00 0.00 H new ATOM 0 HB3 ASN A 77 179.106 3.331 -9.175 1.00 0.00 H new ATOM 0 HD21 ASN A 77 180.173 -0.216 -10.721 1.00 0.00 H new ATOM 0 HD22 ASN A 77 179.533 0.042 -9.095 1.00 0.00 H new ATOM 1243 N CYS A 78 180.099 4.481 -6.370 1.00 0.00 N ATOM 1244 CA CYS A 78 179.651 5.657 -5.625 1.00 0.00 C ATOM 1245 C CYS A 78 180.797 6.642 -5.406 1.00 0.00 C ATOM 1246 O CYS A 78 180.607 7.853 -5.504 1.00 0.00 O ATOM 1247 CB CYS A 78 179.052 5.244 -4.276 1.00 0.00 C ATOM 1248 SG CYS A 78 177.571 6.171 -3.815 1.00 0.00 S ATOM 0 H CYS A 78 179.973 3.598 -5.875 1.00 0.00 H new ATOM 0 HA CYS A 78 178.882 6.152 -6.219 1.00 0.00 H new ATOM 0 HB2 CYS A 78 178.808 4.182 -4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.806 5.375 -3.500 1.00 0.00 H new ATOM 0 HG CYS A 78 177.137 5.751 -2.664 1.00 0.00 H new ATOM 1254 N TYR A 79 181.987 6.115 -5.116 1.00 0.00 N ATOM 1255 CA TYR A 79 183.167 6.951 -4.891 1.00 0.00 C ATOM 1256 C TYR A 79 183.482 7.804 -6.122 1.00 0.00 C ATOM 1257 O TYR A 79 183.942 8.939 -5.996 1.00 0.00 O ATOM 1258 CB TYR A 79 184.375 6.080 -4.535 1.00 0.00 C ATOM 1259 CG TYR A 79 185.570 6.856 -4.016 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.446 7.743 -2.953 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.825 6.692 -4.589 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.538 8.444 -2.477 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.921 7.388 -4.119 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.773 8.263 -3.063 1.00 0.00 C ATOM 1265 OH TYR A 79 188.864 8.958 -2.591 1.00 0.00 O ATOM 0 H TYR A 79 182.159 5.113 -5.031 1.00 0.00 H new ATOM 0 HA TYR A 79 182.951 7.620 -4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.074 5.352 -3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.677 5.518 -5.419 1.00 0.00 H new ATOM 0 HD1 TYR A 79 184.480 7.887 -2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 79 186.945 6.008 -5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 79 186.425 9.130 -1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.889 7.248 -4.576 1.00 0.00 H new ATOM 0 HH TYR A 79 189.657 8.715 -3.112 1.00 0.00 H new ATOM 1275 N LYS A 80 183.225 7.250 -7.310 1.00 0.00 N ATOM 1276 CA LYS A 80 183.475 7.961 -8.562 1.00 0.00 C ATOM 1277 C LYS A 80 182.557 9.177 -8.693 1.00 0.00 C ATOM 1278 O LYS A 80 183.011 10.271 -9.030 1.00 0.00 O ATOM 1279 CB LYS A 80 183.284 7.023 -9.762 1.00 0.00 C ATOM 1280 CG LYS A 80 183.941 7.525 -11.041 1.00 0.00 C ATOM 1281 CD LYS A 80 183.345 6.867 -12.279 1.00 0.00 C ATOM 1282 CE LYS A 80 184.198 5.701 -12.763 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.243 5.618 -14.252 1.00 0.00 N ATOM 0 H LYS A 80 182.844 6.311 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 80 184.508 8.310 -8.550 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.692 6.043 -9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 80 182.217 6.888 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 80 183.822 8.606 -11.111 1.00 0.00 H new ATOM 0 HG3 LYS A 80 185.012 7.324 -11.003 1.00 0.00 H new ATOM 0 HD2 LYS A 80 182.339 6.513 -12.054 1.00 0.00 H new ATOM 0 HD3 LYS A 80 183.253 7.606 -13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 80 185.211 5.808 -12.376 1.00 0.00 H new ATOM 0 HE3 LYS A 80 183.800 4.770 -12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 184.834 4.811 -14.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 183.280 5.489 -14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 184.647 6.496 -14.637 1.00 0.00 H new ATOM 1297 N TYR A 81 181.264 8.979 -8.421 1.00 0.00 N ATOM 1298 CA TYR A 81 180.287 10.066 -8.506 1.00 0.00 C ATOM 1299 C TYR A 81 180.420 11.022 -7.318 1.00 0.00 C ATOM 1300 O TYR A 81 180.326 12.239 -7.485 1.00 0.00 O ATOM 1301 CB TYR A 81 178.861 9.504 -8.572 1.00 0.00 C ATOM 1302 CG TYR A 81 177.834 10.493 -9.090 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.494 11.625 -8.356 1.00 0.00 C ATOM 1304 CD2 TYR A 81 177.204 10.291 -10.312 1.00 0.00 C ATOM 1305 CE1 TYR A 81 176.558 12.525 -8.827 1.00 0.00 C ATOM 1306 CE2 TYR A 81 176.267 11.189 -10.789 1.00 0.00 C ATOM 1307 CZ TYR A 81 175.948 12.303 -10.043 1.00 0.00 C ATOM 1308 OH TYR A 81 175.015 13.197 -10.513 1.00 0.00 O ATOM 0 H TYR A 81 180.872 8.080 -8.141 1.00 0.00 H new ATOM 0 HA TYR A 81 180.489 10.625 -9.420 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.858 8.622 -9.213 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.564 9.175 -7.576 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.970 11.803 -7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 81 177.450 9.418 -10.899 1.00 0.00 H new ATOM 0 HE1 TYR A 81 176.305 13.399 -8.245 1.00 0.00 H new ATOM 0 HE2 TYR A 81 175.787 11.018 -11.742 1.00 0.00 H new ATOM 0 HH TYR A 81 174.682 12.895 -11.384 1.00 0.00 H new ATOM 1318 N ASN A 82 180.635 10.466 -6.120 1.00 0.00 N ATOM 1319 CA ASN A 82 180.778 11.275 -4.906 1.00 0.00 C ATOM 1320 C ASN A 82 181.975 12.220 -5.012 1.00 0.00 C ATOM 1321 O ASN A 82 183.125 11.776 -5.001 1.00 0.00 O ATOM 1322 CB ASN A 82 180.933 10.377 -3.671 1.00 0.00 C ATOM 1323 CG ASN A 82 179.599 10.003 -3.050 1.00 0.00 C ATOM 1324 OD1 ASN A 82 178.758 10.866 -2.794 1.00 0.00 O ATOM 1325 ND2 ASN A 82 179.396 8.713 -2.800 1.00 0.00 N ATOM 0 H ASN A 82 180.714 9.461 -5.966 1.00 0.00 H new ATOM 0 HA ASN A 82 179.873 11.872 -4.799 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.466 9.469 -3.951 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.544 10.889 -2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 82 178.518 8.407 -2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 82 180.118 8.030 -3.027 1.00 0.00 H new ATOM 1332 N PRO A 83 181.720 13.541 -5.113 1.00 0.00 N ATOM 1333 CA PRO A 83 182.783 14.546 -5.220 1.00 0.00 C ATOM 1334 C PRO A 83 183.553 14.715 -3.910 1.00 0.00 C ATOM 1335 O PRO A 83 182.958 14.994 -2.869 1.00 0.00 O ATOM 1336 CB PRO A 83 182.024 15.829 -5.571 1.00 0.00 C ATOM 1337 CG PRO A 83 180.660 15.627 -5.008 1.00 0.00 C ATOM 1338 CD PRO A 83 180.376 14.156 -5.128 1.00 0.00 C ATOM 0 HA PRO A 83 183.537 14.269 -5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 83 182.506 16.705 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 83 181.988 15.986 -6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 83 180.616 15.949 -3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 83 179.921 16.213 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 83 179.762 13.797 -4.302 1.00 0.00 H new ATOM 0 HD3 PRO A 83 179.839 13.925 -6.048 1.00 0.00 H new ATOM 1346 N PRO A 84 184.893 14.540 -3.947 1.00 0.00 N ATOM 1347 CA PRO A 84 185.751 14.667 -2.756 1.00 0.00 C ATOM 1348 C PRO A 84 185.514 15.967 -1.984 1.00 0.00 C ATOM 1349 O PRO A 84 184.949 16.924 -2.520 1.00 0.00 O ATOM 1350 CB PRO A 84 187.166 14.639 -3.333 1.00 0.00 C ATOM 1351 CG PRO A 84 187.040 13.874 -4.604 1.00 0.00 C ATOM 1352 CD PRO A 84 185.677 14.199 -5.152 1.00 0.00 C ATOM 0 HA PRO A 84 185.551 13.876 -2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 84 187.541 15.647 -3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 84 187.864 14.157 -2.648 1.00 0.00 H new ATOM 0 HG2 PRO A 84 187.821 14.158 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.144 12.804 -4.427 1.00 0.00 H new ATOM 0 HD2 PRO A 84 185.715 15.031 -5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.246 13.351 -5.685 1.00 0.00 H new ATOM 1360 N ASP A 85 185.950 15.988 -0.719 1.00 0.00 N ATOM 1361 CA ASP A 85 185.790 17.155 0.147 1.00 0.00 C ATOM 1362 C ASP A 85 184.306 17.487 0.342 1.00 0.00 C ATOM 1363 O ASP A 85 183.905 18.653 0.304 1.00 0.00 O ATOM 1364 CB ASP A 85 186.541 18.353 -0.437 1.00 0.00 C ATOM 1365 CG ASP A 85 188.032 18.100 -0.574 1.00 0.00 C ATOM 1366 OD1 ASP A 85 188.679 17.788 0.448 1.00 0.00 O ATOM 1367 OD2 ASP A 85 188.550 18.214 -1.705 1.00 0.00 O ATOM 0 H ASP A 85 186.420 15.201 -0.272 1.00 0.00 H new ATOM 0 HA ASP A 85 186.214 16.923 1.124 1.00 0.00 H new ATOM 0 HB2 ASP A 85 186.126 18.595 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 85 186.381 19.223 0.200 1.00 0.00 H new ATOM 1372 N HIS A 86 183.495 16.445 0.542 1.00 0.00 N ATOM 1373 CA HIS A 86 182.056 16.607 0.730 1.00 0.00 C ATOM 1374 C HIS A 86 181.553 15.771 1.906 1.00 0.00 C ATOM 1375 O HIS A 86 182.076 14.688 2.179 1.00 0.00 O ATOM 1376 CB HIS A 86 181.319 16.197 -0.547 1.00 0.00 C ATOM 1377 CG HIS A 86 180.016 16.909 -0.771 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.638 18.049 -0.088 1.00 0.00 N ATOM 1379 CD2 HIS A 86 178.997 16.628 -1.617 1.00 0.00 C ATOM 1380 CE1 HIS A 86 178.443 18.432 -0.504 1.00 0.00 C ATOM 1381 NE2 HIS A 86 178.034 17.588 -1.431 1.00 0.00 N ATOM 0 H HIS A 86 183.815 15.477 0.578 1.00 0.00 H new ATOM 0 HA HIS A 86 181.858 17.656 0.949 1.00 0.00 H new ATOM 0 HB2 HIS A 86 181.970 16.380 -1.402 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.131 15.124 -0.514 1.00 0.00 H new ATOM 0 HD2 HIS A 86 178.951 15.801 -2.310 1.00 0.00 H new ATOM 0 HE1 HIS A 86 177.895 19.291 -0.145 1.00 0.00 H new ATOM 0 HE2 HIS A 86 177.146 17.640 -1.929 1.00 0.00 H new ATOM 1390 N GLU A 87 180.523 16.276 2.588 1.00 0.00 N ATOM 1391 CA GLU A 87 179.930 15.579 3.729 1.00 0.00 C ATOM 1392 C GLU A 87 179.425 14.190 3.326 1.00 0.00 C ATOM 1393 O GLU A 87 179.606 13.220 4.064 1.00 0.00 O ATOM 1394 CB GLU A 87 178.778 16.402 4.311 1.00 0.00 C ATOM 1395 CG GLU A 87 178.644 16.284 5.820 1.00 0.00 C ATOM 1396 CD GLU A 87 177.412 16.989 6.353 1.00 0.00 C ATOM 1397 OE1 GLU A 87 177.430 18.236 6.436 1.00 0.00 O ATOM 1398 OE2 GLU A 87 176.429 16.295 6.686 1.00 0.00 O ATOM 0 H GLU A 87 180.081 17.169 2.368 1.00 0.00 H new ATOM 0 HA GLU A 87 180.704 15.456 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.923 17.450 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 87 177.845 16.084 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 87 178.603 15.230 6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 87 179.532 16.703 6.294 1.00 0.00 H new ATOM 1405 N VAL A 88 178.791 14.105 2.152 1.00 0.00 N ATOM 1406 CA VAL A 88 178.257 12.835 1.652 1.00 0.00 C ATOM 1407 C VAL A 88 179.361 11.792 1.469 1.00 0.00 C ATOM 1408 O VAL A 88 179.148 10.604 1.720 1.00 0.00 O ATOM 1409 CB VAL A 88 177.500 13.009 0.313 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.273 13.892 0.500 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.414 13.572 -0.772 1.00 0.00 C ATOM 0 H VAL A 88 178.635 14.899 1.531 1.00 0.00 H new ATOM 0 HA VAL A 88 177.555 12.486 2.409 1.00 0.00 H new ATOM 0 HB VAL A 88 177.167 12.024 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 88 175.755 14.002 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 88 175.602 13.434 1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 88 176.582 14.873 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 88 177.852 13.682 -1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 88 178.793 14.545 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.250 12.891 -0.933 1.00 0.00 H new ATOM 1421 N VAL A 89 180.539 12.241 1.034 1.00 0.00 N ATOM 1422 CA VAL A 89 181.672 11.343 0.824 1.00 0.00 C ATOM 1423 C VAL A 89 182.136 10.741 2.149 1.00 0.00 C ATOM 1424 O VAL A 89 182.334 9.529 2.252 1.00 0.00 O ATOM 1425 CB VAL A 89 182.858 12.067 0.148 1.00 0.00 C ATOM 1426 CG1 VAL A 89 183.928 11.073 -0.273 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.386 12.879 -1.050 1.00 0.00 C ATOM 0 H VAL A 89 180.732 13.220 0.821 1.00 0.00 H new ATOM 0 HA VAL A 89 181.331 10.547 0.162 1.00 0.00 H new ATOM 0 HB VAL A 89 183.292 12.752 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 89 184.753 11.605 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.296 10.541 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 89 183.504 10.359 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.239 13.379 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 89 181.919 12.216 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 89 181.662 13.624 -0.722 1.00 0.00 H new ATOM 1437 N ALA A 90 182.294 11.594 3.164 1.00 0.00 N ATOM 1438 CA ALA A 90 182.721 11.148 4.488 1.00 0.00 C ATOM 1439 C ALA A 90 181.712 10.169 5.087 1.00 0.00 C ATOM 1440 O ALA A 90 182.094 9.184 5.719 1.00 0.00 O ATOM 1441 CB ALA A 90 182.915 12.340 5.414 1.00 0.00 C ATOM 0 H ALA A 90 182.132 12.598 3.092 1.00 0.00 H new ATOM 0 HA ALA A 90 183.674 10.631 4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.233 11.990 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.676 13.002 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.975 12.883 5.509 1.00 0.00 H new ATOM 1447 N MET A 91 180.422 10.448 4.880 1.00 0.00 N ATOM 1448 CA MET A 91 179.355 9.591 5.397 1.00 0.00 C ATOM 1449 C MET A 91 179.449 8.184 4.810 1.00 0.00 C ATOM 1450 O MET A 91 179.325 7.194 5.534 1.00 0.00 O ATOM 1451 CB MET A 91 177.981 10.193 5.082 1.00 0.00 C ATOM 1452 CG MET A 91 177.374 10.966 6.242 1.00 0.00 C ATOM 1453 SD MET A 91 176.472 12.432 5.704 1.00 0.00 S ATOM 1454 CE MET A 91 175.101 11.686 4.828 1.00 0.00 C ATOM 0 H MET A 91 180.093 11.260 4.358 1.00 0.00 H new ATOM 0 HA MET A 91 179.476 9.525 6.478 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.073 10.857 4.223 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.300 9.392 4.794 1.00 0.00 H new ATOM 0 HG2 MET A 91 176.700 10.312 6.796 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.166 11.263 6.929 1.00 0.00 H new ATOM 0 HE1 MET A 91 174.809 12.327 3.996 1.00 0.00 H new ATOM 0 HE2 MET A 91 175.401 10.710 4.446 1.00 0.00 H new ATOM 0 HE3 MET A 91 174.257 11.566 5.507 1.00 0.00 H new ATOM 1464 N ALA A 92 179.671 8.102 3.496 1.00 0.00 N ATOM 1465 CA ALA A 92 179.786 6.816 2.813 1.00 0.00 C ATOM 1466 C ALA A 92 180.972 6.019 3.349 1.00 0.00 C ATOM 1467 O ALA A 92 180.829 4.850 3.713 1.00 0.00 O ATOM 1468 CB ALA A 92 179.917 7.022 1.310 1.00 0.00 C ATOM 0 H ALA A 92 179.774 8.913 2.886 1.00 0.00 H new ATOM 0 HA ALA A 92 178.878 6.245 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.002 6.054 0.816 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.036 7.544 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 92 180.807 7.615 1.100 1.00 0.00 H new ATOM 1474 N ARG A 93 182.141 6.662 3.406 1.00 0.00 N ATOM 1475 CA ARG A 93 183.351 6.012 3.908 1.00 0.00 C ATOM 1476 C ARG A 93 183.160 5.555 5.356 1.00 0.00 C ATOM 1477 O ARG A 93 183.588 4.462 5.728 1.00 0.00 O ATOM 1478 CB ARG A 93 184.556 6.956 3.804 1.00 0.00 C ATOM 1479 CG ARG A 93 185.376 6.759 2.536 1.00 0.00 C ATOM 1480 CD ARG A 93 184.837 7.594 1.382 1.00 0.00 C ATOM 1481 NE ARG A 93 184.009 6.805 0.468 1.00 0.00 N ATOM 1482 CZ ARG A 93 184.496 5.917 -0.407 1.00 0.00 C ATOM 1483 NH1 ARG A 93 185.806 5.696 -0.488 1.00 0.00 N ATOM 1484 NH2 ARG A 93 183.669 5.248 -1.204 1.00 0.00 N ATOM 0 H ARG A 93 182.274 7.629 3.111 1.00 0.00 H new ATOM 0 HA ARG A 93 183.543 5.134 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.204 7.987 3.843 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.200 6.806 4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 93 186.414 7.030 2.728 1.00 0.00 H new ATOM 0 HG3 ARG A 93 185.368 5.705 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 93 184.250 8.422 1.778 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.670 8.029 0.831 1.00 0.00 H new ATOM 0 HE ARG A 93 182.999 6.940 0.500 1.00 0.00 H new ATOM 0 HH11 ARG A 93 186.448 6.205 0.120 1.00 0.00 H new ATOM 0 HH12 ARG A 93 186.168 5.017 -1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 93 182.664 5.411 -1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 93 184.040 4.571 -1.871 1.00 0.00 H new ATOM 1498 N LYS A 94 182.501 6.392 6.163 1.00 0.00 N ATOM 1499 CA LYS A 94 182.239 6.067 7.565 1.00 0.00 C ATOM 1500 C LYS A 94 181.386 4.802 7.679 1.00 0.00 C ATOM 1501 O LYS A 94 181.644 3.946 8.527 1.00 0.00 O ATOM 1502 CB LYS A 94 181.536 7.240 8.257 1.00 0.00 C ATOM 1503 CG LYS A 94 182.027 7.505 9.675 1.00 0.00 C ATOM 1504 CD LYS A 94 182.521 8.938 9.842 1.00 0.00 C ATOM 1505 CE LYS A 94 181.768 9.672 10.946 1.00 0.00 C ATOM 1506 NZ LYS A 94 182.373 9.445 12.292 1.00 0.00 N ATOM 0 H LYS A 94 182.140 7.299 5.868 1.00 0.00 H new ATOM 0 HA LYS A 94 183.194 5.884 8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 94 181.679 8.140 7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.464 7.043 8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 94 181.219 7.314 10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 94 182.833 6.812 9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 94 183.586 8.931 10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 94 182.402 9.476 8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 94 181.760 10.740 10.729 1.00 0.00 H new ATOM 0 HE3 LYS A 94 180.729 9.341 10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 181.827 9.963 13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 182.358 8.429 12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 183.356 9.784 12.292 1.00 0.00 H new ATOM 1520 N LEU A 95 180.373 4.687 6.812 1.00 0.00 N ATOM 1521 CA LEU A 95 179.485 3.522 6.807 1.00 0.00 C ATOM 1522 C LEU A 95 180.259 2.244 6.480 1.00 0.00 C ATOM 1523 O LEU A 95 179.950 1.173 7.003 1.00 0.00 O ATOM 1524 CB LEU A 95 178.348 3.714 5.797 1.00 0.00 C ATOM 1525 CG LEU A 95 176.935 3.558 6.371 1.00 0.00 C ATOM 1526 CD1 LEU A 95 175.977 4.547 5.721 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.436 2.131 6.189 1.00 0.00 C ATOM 0 H LEU A 95 180.149 5.388 6.105 1.00 0.00 H new ATOM 0 HA LEU A 95 179.059 3.424 7.806 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.437 4.707 5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.476 2.995 4.988 1.00 0.00 H new ATOM 0 HG LEU A 95 176.976 3.774 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 95 174.980 4.419 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 95 176.322 5.564 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 95 175.942 4.367 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.432 2.041 6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.414 1.886 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 95 177.105 1.443 6.706 1.00 0.00 H new ATOM 1539 N GLN A 96 181.268 2.364 5.614 1.00 0.00 N ATOM 1540 CA GLN A 96 182.087 1.218 5.226 1.00 0.00 C ATOM 1541 C GLN A 96 182.967 0.759 6.387 1.00 0.00 C ATOM 1542 O GLN A 96 183.095 -0.440 6.636 1.00 0.00 O ATOM 1543 CB GLN A 96 182.964 1.566 4.019 1.00 0.00 C ATOM 1544 CG GLN A 96 183.295 0.369 3.139 1.00 0.00 C ATOM 1545 CD GLN A 96 184.732 -0.096 3.296 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.588 0.212 2.467 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.004 -0.845 4.360 1.00 0.00 N ATOM 0 H GLN A 96 181.536 3.242 5.170 1.00 0.00 H new ATOM 0 HA GLN A 96 181.414 0.405 4.954 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.456 2.319 3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.893 2.014 4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 96 182.623 -0.453 3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.114 0.629 2.096 1.00 0.00 H new ATOM 0 HE21 GLN A 96 184.264 -1.077 5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 96 185.952 -1.188 4.514 1.00 0.00 H new ATOM 1556 N ASP A 97 183.574 1.719 7.090 1.00 0.00 N ATOM 1557 CA ASP A 97 184.447 1.412 8.223 1.00 0.00 C ATOM 1558 C ASP A 97 183.683 0.688 9.332 1.00 0.00 C ATOM 1559 O ASP A 97 184.154 -0.321 9.858 1.00 0.00 O ATOM 1560 CB ASP A 97 185.081 2.694 8.775 1.00 0.00 C ATOM 1561 CG ASP A 97 186.169 2.412 9.794 1.00 0.00 C ATOM 1562 OD1 ASP A 97 187.261 1.963 9.387 1.00 0.00 O ATOM 1563 OD2 ASP A 97 185.929 2.640 10.998 1.00 0.00 O ATOM 0 H ASP A 97 183.476 2.715 6.893 1.00 0.00 H new ATOM 0 HA ASP A 97 185.236 0.751 7.864 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.500 3.272 7.951 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.308 3.309 9.235 1.00 0.00 H new ATOM 1568 N VAL A 98 182.502 1.205 9.678 1.00 0.00 N ATOM 1569 CA VAL A 98 181.677 0.598 10.721 1.00 0.00 C ATOM 1570 C VAL A 98 181.205 -0.799 10.300 1.00 0.00 C ATOM 1571 O VAL A 98 181.233 -1.735 11.101 1.00 0.00 O ATOM 1572 CB VAL A 98 180.462 1.486 11.098 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.541 1.712 9.907 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.694 0.882 12.269 1.00 0.00 C ATOM 0 H VAL A 98 182.098 2.039 9.252 1.00 0.00 H new ATOM 0 HA VAL A 98 182.304 0.507 11.608 1.00 0.00 H new ATOM 0 HB VAL A 98 180.848 2.459 11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.702 2.338 10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 98 180.094 2.207 9.108 1.00 0.00 H new ATOM 0 HG13 VAL A 98 179.167 0.753 9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.846 1.521 12.517 1.00 0.00 H new ATOM 0 HG22 VAL A 98 179.333 -0.109 11.995 1.00 0.00 H new ATOM 0 HG23 VAL A 98 180.353 0.802 13.134 1.00 0.00 H new ATOM 1584 N PHE A 99 180.782 -0.934 9.039 1.00 0.00 N ATOM 1585 CA PHE A 99 180.319 -2.221 8.518 1.00 0.00 C ATOM 1586 C PHE A 99 181.454 -3.242 8.505 1.00 0.00 C ATOM 1587 O PHE A 99 181.298 -4.354 9.005 1.00 0.00 O ATOM 1588 CB PHE A 99 179.748 -2.062 7.104 1.00 0.00 C ATOM 1589 CG PHE A 99 178.263 -2.284 7.026 1.00 0.00 C ATOM 1590 CD1 PHE A 99 177.381 -1.279 7.388 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.750 -3.498 6.595 1.00 0.00 C ATOM 1592 CE1 PHE A 99 176.015 -1.480 7.321 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.386 -3.704 6.526 1.00 0.00 C ATOM 1594 CZ PHE A 99 175.517 -2.694 6.889 1.00 0.00 C ATOM 0 H PHE A 99 180.751 -0.170 8.364 1.00 0.00 H new ATOM 0 HA PHE A 99 179.530 -2.582 9.178 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.977 -1.061 6.739 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.248 -2.766 6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 99 177.765 -0.328 7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 99 178.425 -4.292 6.310 1.00 0.00 H new ATOM 0 HE1 PHE A 99 175.338 -0.689 7.606 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.999 -4.654 6.188 1.00 0.00 H new ATOM 0 HZ PHE A 99 174.450 -2.853 6.835 1.00 0.00 H new ATOM 1604 N GLU A 100 182.598 -2.856 7.931 1.00 0.00 N ATOM 1605 CA GLU A 100 183.761 -3.742 7.856 1.00 0.00 C ATOM 1606 C GLU A 100 184.188 -4.206 9.247 1.00 0.00 C ATOM 1607 O GLU A 100 184.451 -5.390 9.458 1.00 0.00 O ATOM 1608 CB GLU A 100 184.932 -3.040 7.158 1.00 0.00 C ATOM 1609 CG GLU A 100 185.661 -3.920 6.152 1.00 0.00 C ATOM 1610 CD GLU A 100 186.922 -4.544 6.721 1.00 0.00 C ATOM 1611 OE1 GLU A 100 187.798 -3.790 7.193 1.00 0.00 O ATOM 1612 OE2 GLU A 100 187.034 -5.788 6.689 1.00 0.00 O ATOM 0 H GLU A 100 182.742 -1.937 7.512 1.00 0.00 H new ATOM 0 HA GLU A 100 183.474 -4.617 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.560 -2.152 6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.642 -2.700 7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.990 -4.710 5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.919 -3.325 5.276 1.00 0.00 H new ATOM 1619 N MET A 101 184.249 -3.267 10.193 1.00 0.00 N ATOM 1620 CA MET A 101 184.639 -3.582 11.567 1.00 0.00 C ATOM 1621 C MET A 101 183.670 -4.585 12.197 1.00 0.00 C ATOM 1622 O MET A 101 184.094 -5.575 12.797 1.00 0.00 O ATOM 1623 CB MET A 101 184.696 -2.305 12.415 1.00 0.00 C ATOM 1624 CG MET A 101 186.110 -1.845 12.733 1.00 0.00 C ATOM 1625 SD MET A 101 186.355 -1.503 14.488 1.00 0.00 S ATOM 1626 CE MET A 101 186.004 -3.108 15.201 1.00 0.00 C ATOM 0 H MET A 101 184.033 -2.283 10.032 1.00 0.00 H new ATOM 0 HA MET A 101 185.631 -4.033 11.538 1.00 0.00 H new ATOM 0 HB2 MET A 101 184.173 -1.506 11.889 1.00 0.00 H new ATOM 0 HB3 MET A 101 184.160 -2.475 13.349 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.817 -2.611 12.415 1.00 0.00 H new ATOM 0 HG3 MET A 101 186.333 -0.947 12.158 1.00 0.00 H new ATOM 0 HE1 MET A 101 186.558 -3.221 16.133 1.00 0.00 H new ATOM 0 HE2 MET A 101 184.936 -3.191 15.401 1.00 0.00 H new ATOM 0 HE3 MET A 101 186.304 -3.890 14.503 1.00 0.00 H new ATOM 1636 N ARG A 102 182.369 -4.322 12.057 1.00 0.00 N ATOM 1637 CA ARG A 102 181.342 -5.204 12.612 1.00 0.00 C ATOM 1638 C ARG A 102 181.326 -6.553 11.892 1.00 0.00 C ATOM 1639 O ARG A 102 181.246 -7.603 12.531 1.00 0.00 O ATOM 1640 CB ARG A 102 179.962 -4.541 12.521 1.00 0.00 C ATOM 1641 CG ARG A 102 179.112 -4.723 13.770 1.00 0.00 C ATOM 1642 CD ARG A 102 178.322 -3.463 14.100 1.00 0.00 C ATOM 1643 NE ARG A 102 177.640 -3.563 15.391 1.00 0.00 N ATOM 1644 CZ ARG A 102 176.495 -4.225 15.585 1.00 0.00 C ATOM 1645 NH1 ARG A 102 175.893 -4.849 14.573 1.00 0.00 N ATOM 1646 NH2 ARG A 102 175.948 -4.262 16.796 1.00 0.00 N ATOM 0 H ARG A 102 182.003 -3.507 11.565 1.00 0.00 H new ATOM 0 HA ARG A 102 181.582 -5.380 13.660 1.00 0.00 H new ATOM 0 HB2 ARG A 102 180.092 -3.475 12.333 1.00 0.00 H new ATOM 0 HB3 ARG A 102 179.427 -4.952 11.665 1.00 0.00 H new ATOM 0 HG2 ARG A 102 178.425 -5.556 13.625 1.00 0.00 H new ATOM 0 HG3 ARG A 102 179.753 -4.982 14.612 1.00 0.00 H new ATOM 0 HD2 ARG A 102 178.996 -2.606 14.112 1.00 0.00 H new ATOM 0 HD3 ARG A 102 177.587 -3.280 13.316 1.00 0.00 H new ATOM 0 HE ARG A 102 178.065 -3.098 16.193 1.00 0.00 H new ATOM 0 HH11 ARG A 102 176.306 -4.824 13.641 1.00 0.00 H new ATOM 0 HH12 ARG A 102 175.020 -5.352 14.731 1.00 0.00 H new ATOM 0 HH21 ARG A 102 176.402 -3.786 17.575 1.00 0.00 H new ATOM 0 HH22 ARG A 102 175.074 -4.767 16.946 1.00 0.00 H new ATOM 1660 N PHE A 103 181.410 -6.516 10.560 1.00 0.00 N ATOM 1661 CA PHE A 103 181.412 -7.735 9.748 1.00 0.00 C ATOM 1662 C PHE A 103 182.637 -8.594 10.060 1.00 0.00 C ATOM 1663 O PHE A 103 182.533 -9.815 10.187 1.00 0.00 O ATOM 1664 CB PHE A 103 181.388 -7.383 8.256 1.00 0.00 C ATOM 1665 CG PHE A 103 180.585 -8.338 7.414 1.00 0.00 C ATOM 1666 CD1 PHE A 103 179.267 -8.627 7.732 1.00 0.00 C ATOM 1667 CD2 PHE A 103 181.148 -8.943 6.302 1.00 0.00 C ATOM 1668 CE1 PHE A 103 178.528 -9.501 6.958 1.00 0.00 C ATOM 1669 CE2 PHE A 103 180.413 -9.818 5.524 1.00 0.00 C ATOM 1670 CZ PHE A 103 179.102 -10.097 5.853 1.00 0.00 C ATOM 0 H PHE A 103 181.478 -5.653 10.020 1.00 0.00 H new ATOM 0 HA PHE A 103 180.516 -8.306 9.993 1.00 0.00 H new ATOM 0 HB2 PHE A 103 180.981 -6.379 8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.412 -7.358 7.883 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.812 -8.163 8.595 1.00 0.00 H new ATOM 0 HD2 PHE A 103 182.173 -8.728 6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 103 177.502 -9.718 7.217 1.00 0.00 H new ATOM 0 HE2 PHE A 103 180.864 -10.283 4.660 1.00 0.00 H new ATOM 0 HZ PHE A 103 178.526 -10.781 5.247 1.00 0.00 H new ATOM 1680 N ALA A 104 183.795 -7.944 10.191 1.00 0.00 N ATOM 1681 CA ALA A 104 185.041 -8.640 10.500 1.00 0.00 C ATOM 1682 C ALA A 104 184.985 -9.276 11.887 1.00 0.00 C ATOM 1683 O ALA A 104 185.578 -10.328 12.114 1.00 0.00 O ATOM 1684 CB ALA A 104 186.226 -7.687 10.402 1.00 0.00 C ATOM 0 H ALA A 104 183.894 -6.934 10.087 1.00 0.00 H new ATOM 0 HA ALA A 104 185.171 -9.435 9.766 1.00 0.00 H new ATOM 0 HB1 ALA A 104 187.145 -8.224 10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 104 186.287 -7.286 9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 104 186.094 -6.869 11.110 1.00 0.00 H new ATOM 1690 N LYS A 105 184.266 -8.634 12.813 1.00 0.00 N ATOM 1691 CA LYS A 105 184.134 -9.148 14.176 1.00 0.00 C ATOM 1692 C LYS A 105 183.242 -10.393 14.213 1.00 0.00 C ATOM 1693 O LYS A 105 183.574 -11.378 14.873 1.00 0.00 O ATOM 1694 CB LYS A 105 183.567 -8.068 15.106 1.00 0.00 C ATOM 1695 CG LYS A 105 183.781 -8.361 16.585 1.00 0.00 C ATOM 1696 CD LYS A 105 184.054 -7.088 17.374 1.00 0.00 C ATOM 1697 CE LYS A 105 183.556 -7.197 18.809 1.00 0.00 C ATOM 1698 NZ LYS A 105 182.124 -6.803 18.937 1.00 0.00 N ATOM 0 H LYS A 105 183.768 -7.760 12.642 1.00 0.00 H new ATOM 0 HA LYS A 105 185.128 -9.428 14.524 1.00 0.00 H new ATOM 0 HB2 LYS A 105 184.031 -7.112 14.863 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.499 -7.962 14.916 1.00 0.00 H new ATOM 0 HG2 LYS A 105 182.899 -8.858 16.989 1.00 0.00 H new ATOM 0 HG3 LYS A 105 184.618 -9.049 16.703 1.00 0.00 H new ATOM 0 HD2 LYS A 105 185.125 -6.883 17.375 1.00 0.00 H new ATOM 0 HD3 LYS A 105 183.568 -6.245 16.883 1.00 0.00 H new ATOM 0 HE2 LYS A 105 183.682 -8.221 19.159 1.00 0.00 H new ATOM 0 HE3 LYS A 105 184.165 -6.563 19.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 181.827 -6.892 19.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 182.006 -5.817 18.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 181.539 -7.425 18.343 1.00 0.00 H new ATOM 1712 N MET A 106 182.109 -10.345 13.504 1.00 0.00 N ATOM 1713 CA MET A 106 181.179 -11.479 13.463 1.00 0.00 C ATOM 1714 C MET A 106 181.770 -12.662 12.690 1.00 0.00 C ATOM 1715 O MET A 106 181.537 -13.818 13.044 1.00 0.00 O ATOM 1716 CB MET A 106 179.830 -11.069 12.851 1.00 0.00 C ATOM 1717 CG MET A 106 179.930 -10.462 11.458 1.00 0.00 C ATOM 1718 SD MET A 106 178.349 -10.451 10.591 1.00 0.00 S ATOM 1719 CE MET A 106 178.448 -11.990 9.680 1.00 0.00 C ATOM 0 H MET A 106 181.815 -9.538 12.954 1.00 0.00 H new ATOM 0 HA MET A 106 181.012 -11.794 14.493 1.00 0.00 H new ATOM 0 HB2 MET A 106 179.184 -11.945 12.807 1.00 0.00 H new ATOM 0 HB3 MET A 106 179.348 -10.350 13.514 1.00 0.00 H new ATOM 0 HG2 MET A 106 180.304 -9.441 11.537 1.00 0.00 H new ATOM 0 HG3 MET A 106 180.657 -11.024 10.872 1.00 0.00 H new ATOM 0 HE1 MET A 106 177.539 -12.125 9.093 1.00 0.00 H new ATOM 0 HE2 MET A 106 179.310 -11.963 9.013 1.00 0.00 H new ATOM 0 HE3 MET A 106 178.555 -12.820 10.378 1.00 0.00 H new ATOM 1729 N LEU A 107 182.532 -12.368 11.633 1.00 0.00 N ATOM 1730 CA LEU A 107 183.150 -13.413 10.816 1.00 0.00 C ATOM 1731 C LEU A 107 184.454 -13.910 11.441 1.00 0.00 C ATOM 1732 O LEU A 107 184.731 -15.109 11.441 1.00 0.00 O ATOM 1733 CB LEU A 107 183.422 -12.897 9.398 1.00 0.00 C ATOM 1734 CG LEU A 107 182.853 -13.757 8.266 1.00 0.00 C ATOM 1735 CD1 LEU A 107 182.899 -12.994 6.950 1.00 0.00 C ATOM 1736 CD2 LEU A 107 183.618 -15.070 8.151 1.00 0.00 C ATOM 0 H LEU A 107 182.735 -11.417 11.324 1.00 0.00 H new ATOM 0 HA LEU A 107 182.451 -14.248 10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 107 183.010 -11.892 9.310 1.00 0.00 H new ATOM 0 HB3 LEU A 107 184.500 -12.813 9.261 1.00 0.00 H new ATOM 0 HG LEU A 107 181.813 -13.989 8.497 1.00 0.00 H new ATOM 0 HD11 LEU A 107 182.492 -13.617 6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 107 182.307 -12.083 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 107 183.931 -12.735 6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 107 183.198 -15.666 7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 107 184.668 -14.863 7.942 1.00 0.00 H new ATOM 0 HD23 LEU A 107 183.537 -15.622 9.087 1.00 0.00 H new ATOM 1748 N GLN A 108 185.254 -12.980 11.965 1.00 0.00 N ATOM 1749 CA GLN A 108 186.532 -13.322 12.585 1.00 0.00 C ATOM 1750 C GLN A 108 186.499 -13.055 14.091 1.00 0.00 C ATOM 1751 O GLN A 108 186.541 -14.036 14.863 1.00 0.00 O ATOM 1752 CB GLN A 108 187.666 -12.524 11.931 1.00 0.00 C ATOM 1753 CG GLN A 108 188.877 -13.365 11.559 1.00 0.00 C ATOM 1754 CD GLN A 108 189.595 -13.930 12.771 1.00 0.00 C ATOM 1755 OE1 GLN A 108 190.461 -13.276 13.352 1.00 0.00 O ATOM 1756 NE2 GLN A 108 189.241 -15.150 13.158 1.00 0.00 N ATOM 0 H GLN A 108 185.038 -11.983 11.972 1.00 0.00 H new ATOM 0 HA GLN A 108 186.711 -14.386 12.432 1.00 0.00 H new ATOM 0 HB2 GLN A 108 187.284 -12.038 11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 108 187.980 -11.733 12.612 1.00 0.00 H new ATOM 0 HG2 GLN A 108 188.560 -14.185 10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 108 189.573 -12.757 10.981 1.00 0.00 H new ATOM 0 HE21 GLN A 108 188.518 -15.657 12.648 1.00 0.00 H new ATOM 0 HE22 GLN A 108 189.692 -15.580 13.966 1.00 0.00 H new