USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 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 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 ASN : amide:sc= 0.129 K(o=0.57,f=-0.17) USER MOD Set 2.2: A 60 ASN : amide:sc= 0.437 K(o=0.57,f=-8!) USER MOD Single : A 1 LEU N :NH3+ 176:sc= 1.31 (180deg=1.22) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.054 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 28:sc= 0.436 USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0.426 (180deg=0.406) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.285 X(o=0.28,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.00144 USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0.499 (180deg=0.436) USER MOD Single : A 51 TYR OH : rot -6:sc= 0.0034 USER MOD Single : A 55 ASN : amide:sc=-8.3e-05 X(o=-8.3e-05,f=-0.11) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.462 13.172 -0.264 1.00 2.00 N ATOM 2 CA LEU A 1 -0.095 12.252 -1.286 1.00 2.00 C ATOM 3 C LEU A 1 -1.556 11.774 -0.968 1.00 2.00 C ATOM 4 O LEU A 1 -1.843 11.309 0.140 1.00 2.00 O ATOM 5 CB LEU A 1 0.838 11.023 -1.393 1.00 2.00 C ATOM 6 CG LEU A 1 0.529 10.100 -2.606 1.00 2.00 C ATOM 7 CD1 LEU A 1 1.304 10.532 -3.859 1.00 2.00 C ATOM 8 CD2 LEU A 1 0.808 8.643 -2.240 1.00 2.00 C ATOM 0 H1 LEU A 1 1.450 13.395 -0.499 1.00 2.00 H new ATOM 0 H2 LEU A 1 -0.096 14.049 -0.246 1.00 2.00 H new ATOM 0 H3 LEU A 1 0.423 12.717 0.671 1.00 2.00 H new ATOM 0 HA LEU A 1 -0.150 12.800 -2.227 1.00 2.00 H new ATOM 0 HB2 LEU A 1 1.870 11.368 -1.465 1.00 2.00 H new ATOM 0 HB3 LEU A 1 0.760 10.439 -0.476 1.00 2.00 H new ATOM 0 HG LEU A 1 -0.529 10.194 -2.849 1.00 2.00 H new ATOM 0 HD11 LEU A 1 1.062 9.863 -4.685 1.00 2.00 H new ATOM 0 HD12 LEU A 1 1.027 11.552 -4.125 1.00 2.00 H new ATOM 0 HD13 LEU A 1 2.374 10.488 -3.658 1.00 2.00 H new ATOM 0 HD21 LEU A 1 0.589 8.004 -3.096 1.00 2.00 H new ATOM 0 HD22 LEU A 1 1.856 8.532 -1.963 1.00 2.00 H new ATOM 0 HD23 LEU A 1 0.178 8.352 -1.399 1.00 2.00 H new ATOM 22 N LYS A 2 -2.487 11.900 -1.924 1.00 2.00 N ATOM 23 CA LYS A 2 -3.906 11.479 -1.750 1.00 2.00 C ATOM 24 C LYS A 2 -4.002 9.950 -2.099 1.00 2.00 C ATOM 25 O LYS A 2 -3.381 9.503 -3.065 1.00 2.00 O ATOM 26 CB LYS A 2 -4.837 12.329 -2.662 1.00 2.00 C ATOM 27 CG LYS A 2 -5.026 13.846 -2.374 1.00 2.00 C ATOM 28 CD LYS A 2 -3.915 14.795 -2.884 1.00 2.00 C ATOM 29 CE LYS A 2 -2.923 15.252 -1.800 1.00 2.00 C ATOM 30 NZ LYS A 2 -1.734 15.870 -2.418 1.00 2.00 N ATOM 0 H LYS A 2 -2.289 12.295 -2.843 1.00 2.00 H new ATOM 0 HA LYS A 2 -4.231 11.639 -0.722 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -4.466 12.236 -3.683 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.824 11.868 -2.638 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -5.971 14.161 -2.816 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -5.118 13.979 -1.296 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -3.361 14.293 -3.678 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -4.381 15.675 -3.327 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -3.407 15.966 -1.133 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -2.622 14.400 -1.191 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -1.074 16.173 -1.674 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -1.265 15.178 -3.036 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -2.024 16.695 -2.980 1.00 2.00 H new ATOM 43 N CYS A 3 -4.731 9.122 -1.339 1.00 2.00 N ATOM 44 CA CYS A 3 -4.850 7.661 -1.630 1.00 2.00 C ATOM 45 C CYS A 3 -6.286 7.080 -1.419 1.00 2.00 C ATOM 46 O CYS A 3 -7.171 7.713 -0.835 1.00 2.00 O ATOM 47 CB CYS A 3 -3.808 6.926 -0.758 1.00 2.00 C ATOM 48 SG CYS A 3 -2.107 7.300 -1.232 1.00 2.00 S ATOM 0 H CYS A 3 -5.252 9.425 -0.516 1.00 2.00 H new ATOM 0 HA CYS A 3 -4.655 7.506 -2.691 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -3.957 7.200 0.286 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -3.973 5.851 -0.832 1.00 2.00 H new ATOM 53 N ASN A 4 -6.512 5.849 -1.911 1.00 2.00 N ATOM 54 CA ASN A 4 -7.820 5.160 -1.796 1.00 2.00 C ATOM 55 C ASN A 4 -7.883 3.910 -0.859 1.00 2.00 C ATOM 56 O ASN A 4 -6.971 3.089 -0.902 1.00 2.00 O ATOM 57 CB ASN A 4 -8.205 4.511 -3.172 1.00 2.00 C ATOM 58 CG ASN A 4 -8.394 5.362 -4.413 1.00 2.00 C ATOM 59 OD1 ASN A 4 -9.333 6.132 -4.537 1.00 2.00 O ATOM 60 ND2 ASN A 4 -7.577 5.164 -5.406 1.00 2.00 N ATOM 0 H ASN A 4 -5.801 5.302 -2.397 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.457 5.959 -1.417 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -7.435 3.775 -3.404 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -9.134 3.962 -3.017 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -7.721 5.653 -6.290 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -6.793 4.520 -5.301 1.00 2.00 H new ATOM 67 N LYS A 5 -8.941 3.725 -0.045 1.00 2.00 N ATOM 68 CA LYS A 5 -9.062 2.535 0.853 1.00 2.00 C ATOM 69 C LYS A 5 -9.757 1.377 0.019 1.00 2.00 C ATOM 70 O LYS A 5 -10.171 1.570 -1.131 1.00 2.00 O ATOM 71 CB LYS A 5 -9.649 2.852 2.258 1.00 2.00 C ATOM 72 CG LYS A 5 -11.180 3.052 2.416 1.00 2.00 C ATOM 73 CD LYS A 5 -11.718 2.737 3.829 1.00 2.00 C ATOM 74 CE LYS A 5 -11.277 3.736 4.909 1.00 2.00 C ATOM 75 NZ LYS A 5 -11.793 3.321 6.226 1.00 2.00 N ATOM 0 H LYS A 5 -9.725 4.374 0.017 1.00 2.00 H new ATOM 0 HA LYS A 5 -8.078 2.173 1.151 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -9.354 2.043 2.926 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -9.162 3.757 2.620 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -11.428 4.084 2.167 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -11.694 2.418 1.694 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -12.807 2.715 3.794 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -11.388 1.739 4.117 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -10.189 3.795 4.938 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -11.643 4.733 4.664 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -11.489 4.004 6.949 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -12.832 3.288 6.197 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -11.423 2.378 6.463 1.00 2.00 H new ATOM 88 N LEU A 6 -9.840 0.146 0.547 1.00 2.00 N ATOM 89 CA LEU A 6 -10.472 -1.031 -0.149 1.00 2.00 C ATOM 90 C LEU A 6 -11.792 -0.861 -0.984 1.00 2.00 C ATOM 91 O LEU A 6 -11.875 -1.290 -2.138 1.00 2.00 O ATOM 92 CB LEU A 6 -10.703 -2.135 0.951 1.00 2.00 C ATOM 93 CG LEU A 6 -9.756 -3.351 0.953 1.00 2.00 C ATOM 94 CD1 LEU A 6 -9.991 -4.272 -0.254 1.00 2.00 C ATOM 95 CD2 LEU A 6 -8.301 -2.896 1.032 1.00 2.00 C ATOM 0 H LEU A 6 -9.475 -0.082 1.472 1.00 2.00 H new ATOM 0 HA LEU A 6 -9.759 -1.268 -0.939 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -10.636 -1.655 1.927 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -11.723 -2.504 0.847 1.00 2.00 H new ATOM 0 HG LEU A 6 -9.981 -3.940 1.842 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -9.301 -5.114 -0.209 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -11.016 -4.642 -0.235 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -9.823 -3.714 -1.175 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -7.647 -3.768 1.032 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -8.069 -2.268 0.172 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -8.147 -2.326 1.949 1.00 2.00 H new ATOM 107 N ILE A 7 -12.796 -0.213 -0.392 1.00 2.00 N ATOM 108 CA ILE A 7 -14.121 0.040 -1.023 1.00 2.00 C ATOM 109 C ILE A 7 -14.103 1.159 -2.146 1.00 2.00 C ATOM 110 O ILE A 7 -13.321 2.106 -2.000 1.00 2.00 O ATOM 111 CB ILE A 7 -15.130 0.374 0.156 1.00 2.00 C ATOM 112 CG1 ILE A 7 -15.222 -0.695 1.300 1.00 2.00 C ATOM 113 CG2 ILE A 7 -16.591 0.632 -0.308 1.00 2.00 C ATOM 114 CD1 ILE A 7 -15.678 -0.142 2.666 1.00 2.00 C ATOM 0 H ILE A 7 -12.725 0.162 0.554 1.00 2.00 H new ATOM 0 HA ILE A 7 -14.437 -0.849 -1.569 1.00 2.00 H new ATOM 0 HB ILE A 7 -14.675 1.284 0.547 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -15.914 -1.478 0.991 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -14.245 -1.163 1.421 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -17.214 0.853 0.559 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -16.611 1.479 -0.994 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -16.974 -0.254 -0.814 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -15.712 -0.953 3.394 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -14.975 0.619 3.003 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -16.670 0.299 2.567 1.00 2.00 H new ATOM 126 N PRO A 8 -14.923 1.125 -3.253 1.00 2.00 N ATOM 127 CA PRO A 8 -14.921 2.177 -4.322 1.00 2.00 C ATOM 128 C PRO A 8 -14.898 3.693 -3.925 1.00 2.00 C ATOM 129 O PRO A 8 -14.126 4.443 -4.527 1.00 2.00 O ATOM 130 CB PRO A 8 -16.128 1.768 -5.183 1.00 2.00 C ATOM 131 CG PRO A 8 -16.166 0.244 -5.072 1.00 2.00 C ATOM 132 CD PRO A 8 -15.760 -0.040 -3.625 1.00 2.00 C ATOM 0 HA PRO A 8 -13.957 2.177 -4.830 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -17.050 2.218 -4.815 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -16.007 2.089 -6.217 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -17.160 -0.146 -5.290 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -15.479 -0.223 -5.777 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -16.631 -0.129 -2.976 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -15.204 -0.974 -3.542 1.00 2.00 H new ATOM 140 N ILE A 9 -15.715 4.163 -2.951 1.00 2.00 N ATOM 141 CA ILE A 9 -15.726 5.615 -2.524 1.00 2.00 C ATOM 142 C ILE A 9 -14.319 6.096 -1.996 1.00 2.00 C ATOM 143 O ILE A 9 -13.806 7.156 -2.380 1.00 2.00 O ATOM 144 CB ILE A 9 -16.941 6.029 -1.616 1.00 2.00 C ATOM 145 CG1 ILE A 9 -16.927 5.606 -0.117 1.00 2.00 C ATOM 146 CG2 ILE A 9 -18.320 5.746 -2.260 1.00 2.00 C ATOM 147 CD1 ILE A 9 -16.957 4.101 0.198 1.00 2.00 C ATOM 0 H ILE A 9 -16.375 3.577 -2.440 1.00 2.00 H new ATOM 0 HA ILE A 9 -15.909 6.182 -3.437 1.00 2.00 H new ATOM 0 HB ILE A 9 -16.777 7.106 -1.569 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -16.033 6.028 0.343 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -17.785 6.069 0.371 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -19.111 6.057 -1.577 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -18.407 6.302 -3.193 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -18.415 4.679 -2.463 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -16.943 3.955 1.278 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -17.864 3.661 -0.216 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -16.085 3.619 -0.244 1.00 2.00 H new ATOM 159 N ALA A 10 -13.715 5.271 -1.115 1.00 2.00 N ATOM 160 CA ALA A 10 -12.397 5.472 -0.480 1.00 2.00 C ATOM 161 C ALA A 10 -12.009 6.752 0.357 1.00 2.00 C ATOM 162 O ALA A 10 -12.554 7.843 0.191 1.00 2.00 O ATOM 163 CB ALA A 10 -11.449 5.151 -1.652 1.00 2.00 C ATOM 0 H ALA A 10 -14.157 4.403 -0.812 1.00 2.00 H new ATOM 0 HA ALA A 10 -12.355 4.843 0.409 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -10.415 5.260 -1.324 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -11.618 4.127 -1.986 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -11.643 5.838 -2.475 1.00 2.00 H new ATOM 169 N SER A 11 -10.971 6.596 1.211 1.00 2.00 N ATOM 170 CA SER A 11 -10.430 7.670 2.106 1.00 2.00 C ATOM 171 C SER A 11 -9.736 8.915 1.425 1.00 2.00 C ATOM 172 O SER A 11 -9.715 9.044 0.198 1.00 2.00 O ATOM 173 CB SER A 11 -9.536 6.908 3.127 1.00 2.00 C ATOM 174 OG SER A 11 -9.220 7.735 4.250 1.00 2.00 O ATOM 0 H SER A 11 -10.472 5.712 1.306 1.00 2.00 H new ATOM 0 HA SER A 11 -11.258 8.200 2.578 1.00 2.00 H new ATOM 0 HB2 SER A 11 -10.051 6.009 3.466 1.00 2.00 H new ATOM 0 HB3 SER A 11 -8.617 6.584 2.640 1.00 2.00 H new ATOM 0 HG SER A 11 -8.659 7.234 4.878 1.00 2.00 H new ATOM 180 N LYS A 12 -9.143 9.829 2.222 1.00 2.00 N ATOM 181 CA LYS A 12 -8.464 11.053 1.704 1.00 2.00 C ATOM 182 C LYS A 12 -6.909 11.156 1.499 1.00 2.00 C ATOM 183 O LYS A 12 -6.439 10.824 0.406 1.00 2.00 O ATOM 184 CB LYS A 12 -9.136 12.239 2.477 1.00 2.00 C ATOM 185 CG LYS A 12 -8.790 13.684 2.030 1.00 2.00 C ATOM 186 CD LYS A 12 -9.196 14.054 0.589 1.00 2.00 C ATOM 187 CE LYS A 12 -8.656 15.438 0.196 1.00 2.00 C ATOM 188 NZ LYS A 12 -9.111 15.794 -1.160 1.00 2.00 N ATOM 0 H LYS A 12 -9.117 9.747 3.238 1.00 2.00 H new ATOM 0 HA LYS A 12 -8.624 11.050 0.626 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -10.217 12.116 2.405 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -8.874 12.143 3.531 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -9.273 14.382 2.714 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -7.715 13.829 2.133 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -8.815 13.303 -0.103 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -10.282 14.047 0.501 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -8.998 16.187 0.911 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -7.567 15.436 0.233 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -8.740 16.731 -1.416 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -8.764 15.087 -1.839 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -10.151 15.815 -1.183 1.00 2.00 H new ATOM 201 N THR A 13 -6.093 11.606 2.484 1.00 2.00 N ATOM 202 CA THR A 13 -4.603 11.731 2.304 1.00 2.00 C ATOM 203 C THR A 13 -3.654 11.723 3.557 1.00 2.00 C ATOM 204 O THR A 13 -4.068 11.769 4.716 1.00 2.00 O ATOM 205 CB THR A 13 -4.462 13.152 1.593 1.00 2.00 C ATOM 206 OG1 THR A 13 -3.165 13.356 1.053 1.00 2.00 O ATOM 207 CG2 THR A 13 -4.716 14.420 2.437 1.00 2.00 C ATOM 0 H THR A 13 -6.425 11.889 3.406 1.00 2.00 H new ATOM 0 HA THR A 13 -4.271 10.835 1.779 1.00 2.00 H new ATOM 0 HB THR A 13 -5.259 13.063 0.855 1.00 2.00 H new ATOM 0 HG1 THR A 13 -2.765 12.490 0.828 1.00 2.00 H new ATOM 0 HG21 THR A 13 -4.582 15.304 1.814 1.00 2.00 H new ATOM 0 HG22 THR A 13 -5.734 14.401 2.825 1.00 2.00 H new ATOM 0 HG23 THR A 13 -4.011 14.451 3.268 1.00 2.00 H new ATOM 215 N CYS A 14 -2.346 11.645 3.253 1.00 2.00 N ATOM 216 CA CYS A 14 -1.221 11.635 4.223 1.00 2.00 C ATOM 217 C CYS A 14 0.031 12.384 3.565 1.00 2.00 C ATOM 218 O CYS A 14 0.006 12.657 2.356 1.00 2.00 O ATOM 219 CB CYS A 14 -1.057 10.300 4.975 1.00 2.00 C ATOM 220 SG CYS A 14 0.174 9.216 4.270 1.00 2.00 S ATOM 0 H CYS A 14 -2.024 11.584 2.287 1.00 2.00 H new ATOM 0 HA CYS A 14 -1.423 12.237 5.109 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -0.792 10.509 6.011 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -2.016 9.783 4.990 1.00 2.00 H new ATOM 225 N PRO A 15 1.144 12.751 4.262 1.00 2.00 N ATOM 226 CA PRO A 15 2.324 13.466 3.657 1.00 2.00 C ATOM 227 C PRO A 15 3.067 13.165 2.306 1.00 2.00 C ATOM 228 O PRO A 15 2.749 12.256 1.536 1.00 2.00 O ATOM 229 CB PRO A 15 3.312 13.392 4.850 1.00 2.00 C ATOM 230 CG PRO A 15 2.455 13.411 6.110 1.00 2.00 C ATOM 231 CD PRO A 15 1.272 12.538 5.722 1.00 2.00 C ATOM 0 HA PRO A 15 1.902 14.387 3.256 1.00 2.00 H new ATOM 0 HB2 PRO A 15 3.914 12.485 4.802 1.00 2.00 H new ATOM 0 HB3 PRO A 15 4.004 14.234 4.836 1.00 2.00 H new ATOM 0 HG2 PRO A 15 2.990 13.009 6.970 1.00 2.00 H new ATOM 0 HG3 PRO A 15 2.143 14.422 6.373 1.00 2.00 H new ATOM 0 HD2 PRO A 15 1.453 11.490 5.960 1.00 2.00 H new ATOM 0 HD3 PRO A 15 0.366 12.833 6.251 1.00 2.00 H new ATOM 239 N ALA A 16 3.978 14.104 1.952 1.00 2.00 N ATOM 240 CA ALA A 16 4.835 14.043 0.724 1.00 2.00 C ATOM 241 C ALA A 16 5.988 13.036 1.097 1.00 2.00 C ATOM 242 O ALA A 16 6.236 12.787 2.291 1.00 2.00 O ATOM 243 CB ALA A 16 5.314 15.475 0.430 1.00 2.00 C ATOM 0 H ALA A 16 4.147 14.939 2.513 1.00 2.00 H new ATOM 0 HA ALA A 16 4.341 13.694 -0.183 1.00 2.00 H new ATOM 0 HB1 ALA A 16 5.943 15.473 -0.460 1.00 2.00 H new ATOM 0 HB2 ALA A 16 4.451 16.120 0.263 1.00 2.00 H new ATOM 0 HB3 ALA A 16 5.887 15.848 1.279 1.00 2.00 H new ATOM 249 N GLY A 17 6.804 12.488 0.173 1.00 2.00 N ATOM 250 CA GLY A 17 7.873 11.499 0.621 1.00 2.00 C ATOM 251 C GLY A 17 7.156 10.109 0.674 1.00 2.00 C ATOM 252 O GLY A 17 7.668 9.109 0.175 1.00 2.00 O ATOM 0 H GLY A 17 6.772 12.679 -0.828 1.00 2.00 H new ATOM 0 HA2 GLY A 17 8.711 11.483 -0.076 1.00 2.00 H new ATOM 0 HA3 GLY A 17 8.276 11.771 1.597 1.00 2.00 H new ATOM 256 N LYS A 18 5.954 10.071 1.319 1.00 2.00 N ATOM 257 CA LYS A 18 5.076 8.894 1.475 1.00 2.00 C ATOM 258 C LYS A 18 4.302 8.938 0.071 1.00 2.00 C ATOM 259 O LYS A 18 3.093 9.172 0.008 1.00 2.00 O ATOM 260 CB LYS A 18 4.145 9.096 2.707 1.00 2.00 C ATOM 261 CG LYS A 18 4.791 9.121 4.114 1.00 2.00 C ATOM 262 CD LYS A 18 5.128 7.726 4.677 1.00 2.00 C ATOM 263 CE LYS A 18 5.752 7.744 6.081 1.00 2.00 C ATOM 264 NZ LYS A 18 7.154 8.217 6.043 1.00 2.00 N ATOM 0 H LYS A 18 5.562 10.902 1.761 1.00 2.00 H new ATOM 0 HA LYS A 18 5.563 7.938 1.665 1.00 2.00 H new ATOM 0 HB2 LYS A 18 3.609 10.035 2.569 1.00 2.00 H new ATOM 0 HB3 LYS A 18 3.400 8.300 2.696 1.00 2.00 H new ATOM 0 HG2 LYS A 18 5.704 9.714 4.072 1.00 2.00 H new ATOM 0 HG3 LYS A 18 4.114 9.626 4.804 1.00 2.00 H new ATOM 0 HD2 LYS A 18 4.217 7.129 4.705 1.00 2.00 H new ATOM 0 HD3 LYS A 18 5.815 7.228 3.993 1.00 2.00 H new ATOM 0 HE2 LYS A 18 5.166 8.391 6.733 1.00 2.00 H new ATOM 0 HE3 LYS A 18 5.716 6.743 6.510 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 7.514 8.314 7.014 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 7.738 7.530 5.525 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 7.196 9.139 5.564 1.00 2.00 H new ATOM 277 N ASN A 19 5.048 8.760 -1.053 1.00 2.00 N ATOM 278 CA ASN A 19 4.566 8.774 -2.455 1.00 2.00 C ATOM 279 C ASN A 19 3.893 7.534 -3.092 1.00 2.00 C ATOM 280 O ASN A 19 3.210 7.685 -4.107 1.00 2.00 O ATOM 281 CB ASN A 19 5.724 9.319 -3.346 1.00 2.00 C ATOM 282 CG ASN A 19 6.964 8.428 -3.541 1.00 2.00 C ATOM 283 OD1 ASN A 19 7.278 7.531 -2.771 1.00 2.00 O ATOM 284 ND2 ASN A 19 7.741 8.666 -4.564 1.00 2.00 N ATOM 0 H ASN A 19 6.053 8.595 -0.999 1.00 2.00 H new ATOM 0 HA ASN A 19 3.686 9.415 -2.403 1.00 2.00 H new ATOM 0 HB2 ASN A 19 5.313 9.539 -4.331 1.00 2.00 H new ATOM 0 HB3 ASN A 19 6.056 10.266 -2.920 1.00 2.00 H new ATOM 0 HD21 ASN A 19 8.584 8.110 -4.704 1.00 2.00 H new ATOM 0 HD22 ASN A 19 7.504 9.408 -5.223 1.00 2.00 H new ATOM 291 N LEU A 20 4.097 6.338 -2.556 1.00 2.00 N ATOM 292 CA LEU A 20 3.491 5.115 -3.098 1.00 2.00 C ATOM 293 C LEU A 20 2.094 4.869 -2.462 1.00 2.00 C ATOM 294 O LEU A 20 1.972 4.635 -1.255 1.00 2.00 O ATOM 295 CB LEU A 20 4.414 3.894 -2.818 1.00 2.00 C ATOM 296 CG LEU A 20 5.772 3.776 -3.565 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.537 2.514 -3.146 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.643 3.711 -5.085 1.00 2.00 C ATOM 0 H LEU A 20 4.684 6.182 -1.736 1.00 2.00 H new ATOM 0 HA LEU A 20 3.371 5.239 -4.174 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.627 3.883 -1.749 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.841 2.993 -3.038 1.00 2.00 H new ATOM 0 HG LEU A 20 6.302 4.687 -3.286 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.481 2.464 -3.688 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.735 2.547 -2.075 1.00 2.00 H new ATOM 0 HD13 LEU A 20 5.939 1.632 -3.377 1.00 2.00 H new ATOM 0 HD21 LEU A 20 6.634 3.630 -5.531 1.00 2.00 H new ATOM 0 HD22 LEU A 20 5.048 2.841 -5.363 1.00 2.00 H new ATOM 0 HD23 LEU A 20 5.155 4.616 -5.448 1.00 2.00 H new ATOM 310 N CYS A 21 1.010 4.968 -3.250 1.00 2.00 N ATOM 311 CA CYS A 21 -0.369 4.736 -2.744 1.00 2.00 C ATOM 312 C CYS A 21 -0.413 3.161 -2.751 1.00 2.00 C ATOM 313 O CYS A 21 -0.642 2.524 -3.784 1.00 2.00 O ATOM 314 CB CYS A 21 -1.394 5.415 -3.678 1.00 2.00 C ATOM 315 SG CYS A 21 -1.788 7.109 -3.207 1.00 2.00 S ATOM 0 H CYS A 21 1.054 5.207 -4.241 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.612 5.152 -1.766 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -1.004 5.411 -4.696 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.311 4.826 -3.686 1.00 2.00 H new ATOM 320 N TYR A 22 -0.124 2.534 -1.601 1.00 2.00 N ATOM 321 CA TYR A 22 -0.114 1.061 -1.470 1.00 2.00 C ATOM 322 C TYR A 22 -1.439 0.257 -1.381 1.00 2.00 C ATOM 323 O TYR A 22 -2.504 0.733 -0.996 1.00 2.00 O ATOM 324 CB TYR A 22 0.934 0.651 -0.379 1.00 2.00 C ATOM 325 CG TYR A 22 0.628 0.708 1.139 1.00 2.00 C ATOM 326 CD1 TYR A 22 -0.376 1.514 1.675 1.00 2.00 C ATOM 327 CD2 TYR A 22 1.444 -0.018 2.014 1.00 2.00 C ATOM 328 CE1 TYR A 22 -0.564 1.601 3.053 1.00 2.00 C ATOM 329 CE2 TYR A 22 1.274 0.086 3.394 1.00 2.00 C ATOM 330 CZ TYR A 22 0.265 0.889 3.910 1.00 2.00 C ATOM 331 OH TYR A 22 0.092 0.995 5.262 1.00 2.00 O ATOM 0 H TYR A 22 0.109 3.026 -0.738 1.00 2.00 H new ATOM 0 HA TYR A 22 0.174 0.735 -2.470 1.00 2.00 H new ATOM 0 HB2 TYR A 22 1.226 -0.376 -0.599 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.813 1.274 -0.543 1.00 2.00 H new ATOM 0 HD1 TYR A 22 -1.016 2.078 1.013 1.00 2.00 H new ATOM 0 HD2 TYR A 22 2.212 -0.665 1.617 1.00 2.00 H new ATOM 0 HE1 TYR A 22 -1.353 2.221 3.454 1.00 2.00 H new ATOM 0 HE2 TYR A 22 1.926 -0.458 4.061 1.00 2.00 H new ATOM 0 HH TYR A 22 0.751 0.434 5.721 1.00 2.00 H new ATOM 341 N LYS A 23 -1.297 -0.995 -1.798 1.00 2.00 N ATOM 342 CA LYS A 23 -2.339 -2.032 -1.836 1.00 2.00 C ATOM 343 C LYS A 23 -1.716 -3.064 -0.847 1.00 2.00 C ATOM 344 O LYS A 23 -0.853 -3.865 -1.219 1.00 2.00 O ATOM 345 CB LYS A 23 -2.534 -2.617 -3.263 1.00 2.00 C ATOM 346 CG LYS A 23 -3.651 -1.929 -4.068 1.00 2.00 C ATOM 347 CD LYS A 23 -3.873 -2.510 -5.477 1.00 2.00 C ATOM 348 CE LYS A 23 -2.881 -1.960 -6.511 1.00 2.00 C ATOM 349 NZ LYS A 23 -3.196 -2.525 -7.836 1.00 2.00 N ATOM 0 H LYS A 23 -0.401 -1.341 -2.141 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.341 -1.692 -1.573 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -1.597 -2.530 -3.812 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -2.759 -3.680 -3.182 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -4.583 -2.002 -3.508 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -3.416 -0.869 -4.159 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -3.783 -3.595 -5.436 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -4.889 -2.287 -5.801 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -2.938 -0.872 -6.544 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -1.861 -2.217 -6.226 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -2.526 -2.155 -8.540 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -3.121 -3.562 -7.798 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -4.164 -2.258 -8.106 1.00 2.00 H new ATOM 362 N MET A 24 -2.066 -2.970 0.445 1.00 2.00 N ATOM 363 CA MET A 24 -1.567 -3.874 1.520 1.00 2.00 C ATOM 364 C MET A 24 -2.221 -5.297 1.329 1.00 2.00 C ATOM 365 O MET A 24 -3.106 -5.708 2.076 1.00 2.00 O ATOM 366 CB MET A 24 -1.836 -3.077 2.853 1.00 2.00 C ATOM 367 CG MET A 24 -2.004 -3.818 4.203 1.00 2.00 C ATOM 368 SD MET A 24 -0.829 -3.295 5.463 1.00 2.00 S ATOM 369 CE MET A 24 -1.635 -1.837 6.136 1.00 2.00 C ATOM 0 H MET A 24 -2.711 -2.258 0.788 1.00 2.00 H new ATOM 0 HA MET A 24 -0.504 -4.117 1.516 1.00 2.00 H new ATOM 0 HB2 MET A 24 -1.014 -2.372 2.975 1.00 2.00 H new ATOM 0 HB3 MET A 24 -2.740 -2.488 2.697 1.00 2.00 H new ATOM 0 HG2 MET A 24 -3.017 -3.657 4.573 1.00 2.00 H new ATOM 0 HG3 MET A 24 -1.892 -4.889 4.036 1.00 2.00 H new ATOM 0 HE1 MET A 24 -1.017 -1.412 6.926 1.00 2.00 H new ATOM 0 HE2 MET A 24 -1.772 -1.099 5.345 1.00 2.00 H new ATOM 0 HE3 MET A 24 -2.606 -2.115 6.545 1.00 2.00 H new ATOM 379 N PHE A 25 -1.778 -6.054 0.304 1.00 2.00 N ATOM 380 CA PHE A 25 -2.284 -7.413 -0.022 1.00 2.00 C ATOM 381 C PHE A 25 -2.038 -8.448 1.117 1.00 2.00 C ATOM 382 O PHE A 25 -0.936 -8.516 1.661 1.00 2.00 O ATOM 383 CB PHE A 25 -1.616 -7.891 -1.347 1.00 2.00 C ATOM 384 CG PHE A 25 -2.030 -7.384 -2.748 1.00 2.00 C ATOM 385 CD1 PHE A 25 -3.267 -6.796 -3.033 1.00 2.00 C ATOM 386 CD2 PHE A 25 -1.186 -7.716 -3.814 1.00 2.00 C ATOM 387 CE1 PHE A 25 -3.639 -6.515 -4.346 1.00 2.00 C ATOM 388 CE2 PHE A 25 -1.568 -7.459 -5.129 1.00 2.00 C ATOM 389 CZ PHE A 25 -2.786 -6.845 -5.392 1.00 2.00 C ATOM 0 H PHE A 25 -1.047 -5.738 -0.333 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.366 -7.347 -0.139 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.552 -7.678 -1.247 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -1.724 -8.975 -1.370 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -3.942 -6.557 -2.225 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -0.229 -8.176 -3.615 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -4.588 -6.042 -4.550 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -0.917 -7.737 -5.944 1.00 2.00 H new ATOM 0 HZ PHE A 25 -3.070 -6.624 -6.410 1.00 2.00 H new ATOM 399 N MET A 26 -3.056 -9.242 1.479 1.00 2.00 N ATOM 400 CA MET A 26 -2.933 -10.265 2.554 1.00 2.00 C ATOM 401 C MET A 26 -1.918 -11.403 2.206 1.00 2.00 C ATOM 402 O MET A 26 -2.008 -11.959 1.110 1.00 2.00 O ATOM 403 CB MET A 26 -4.313 -10.979 2.753 1.00 2.00 C ATOM 404 CG MET A 26 -5.621 -10.196 2.998 1.00 2.00 C ATOM 405 SD MET A 26 -7.057 -11.170 2.492 1.00 2.00 S ATOM 406 CE MET A 26 -7.150 -12.371 3.835 1.00 2.00 C ATOM 0 H MET A 26 -3.980 -9.203 1.048 1.00 2.00 H new ATOM 0 HA MET A 26 -2.592 -9.728 3.439 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.478 -11.593 1.868 1.00 2.00 H new ATOM 0 HB3 MET A 26 -4.194 -11.660 3.596 1.00 2.00 H new ATOM 0 HG2 MET A 26 -5.704 -9.939 4.054 1.00 2.00 H new ATOM 0 HG3 MET A 26 -5.598 -9.258 2.443 1.00 2.00 H new ATOM 0 HE1 MET A 26 -7.990 -13.044 3.664 1.00 2.00 H new ATOM 0 HE2 MET A 26 -6.225 -12.947 3.873 1.00 2.00 H new ATOM 0 HE3 MET A 26 -7.291 -11.849 4.781 1.00 2.00 H new ATOM 416 N MET A 27 -0.969 -11.777 3.091 1.00 2.00 N ATOM 417 CA MET A 27 0.018 -12.883 2.785 1.00 2.00 C ATOM 418 C MET A 27 -0.704 -14.228 2.361 1.00 2.00 C ATOM 419 O MET A 27 -0.251 -14.936 1.460 1.00 2.00 O ATOM 420 CB MET A 27 0.970 -13.087 4.003 1.00 2.00 C ATOM 421 CG MET A 27 2.437 -12.675 3.769 1.00 2.00 C ATOM 422 SD MET A 27 3.416 -14.080 3.200 1.00 2.00 S ATOM 423 CE MET A 27 4.100 -14.627 4.775 1.00 2.00 C ATOM 0 H MET A 27 -0.850 -11.351 4.010 1.00 2.00 H new ATOM 0 HA MET A 27 0.616 -12.583 1.924 1.00 2.00 H new ATOM 0 HB2 MET A 27 0.580 -12.518 4.847 1.00 2.00 H new ATOM 0 HB3 MET A 27 0.946 -14.138 4.289 1.00 2.00 H new ATOM 0 HG2 MET A 27 2.481 -11.873 3.032 1.00 2.00 H new ATOM 0 HG3 MET A 27 2.861 -12.282 4.693 1.00 2.00 H new ATOM 0 HE1 MET A 27 4.738 -15.496 4.613 1.00 2.00 H new ATOM 0 HE2 MET A 27 4.689 -13.822 5.215 1.00 2.00 H new ATOM 0 HE3 MET A 27 3.288 -14.894 5.451 1.00 2.00 H new ATOM 433 N SER A 28 -1.836 -14.549 3.022 1.00 2.00 N ATOM 434 CA SER A 28 -2.648 -15.758 2.752 1.00 2.00 C ATOM 435 C SER A 28 -3.602 -15.628 1.492 1.00 2.00 C ATOM 436 O SER A 28 -3.903 -16.640 0.858 1.00 2.00 O ATOM 437 CB SER A 28 -3.450 -16.112 4.029 1.00 2.00 C ATOM 438 OG SER A 28 -2.603 -16.352 5.157 1.00 2.00 O ATOM 0 H SER A 28 -2.218 -13.969 3.769 1.00 2.00 H new ATOM 0 HA SER A 28 -1.960 -16.564 2.497 1.00 2.00 H new ATOM 0 HB2 SER A 28 -4.137 -15.298 4.261 1.00 2.00 H new ATOM 0 HB3 SER A 28 -4.057 -16.997 3.839 1.00 2.00 H new ATOM 0 HG SER A 28 -3.153 -16.570 5.939 1.00 2.00 H new ATOM 444 N ASP A 29 -4.140 -14.427 1.170 1.00 2.00 N ATOM 445 CA ASP A 29 -5.048 -14.190 0.005 1.00 2.00 C ATOM 446 C ASP A 29 -4.809 -12.745 -0.569 1.00 2.00 C ATOM 447 O ASP A 29 -5.565 -11.806 -0.306 1.00 2.00 O ATOM 448 CB ASP A 29 -6.507 -14.479 0.456 1.00 2.00 C ATOM 449 CG ASP A 29 -7.564 -14.459 -0.645 1.00 2.00 C ATOM 450 OD1 ASP A 29 -7.325 -14.474 -1.849 1.00 2.00 O ATOM 451 OD2 ASP A 29 -8.822 -14.435 -0.134 1.00 2.00 O ATOM 0 H ASP A 29 -3.958 -13.583 1.713 1.00 2.00 H new ATOM 0 HA ASP A 29 -4.836 -14.866 -0.824 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -6.531 -15.457 0.937 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -6.785 -13.745 1.212 1.00 2.00 H new ATOM 457 N LEU A 30 -3.804 -12.606 -1.440 1.00 2.00 N ATOM 458 CA LEU A 30 -3.406 -11.326 -2.089 1.00 2.00 C ATOM 459 C LEU A 30 -4.474 -10.427 -2.821 1.00 2.00 C ATOM 460 O LEU A 30 -4.732 -9.319 -2.354 1.00 2.00 O ATOM 461 CB LEU A 30 -2.204 -11.662 -3.048 1.00 2.00 C ATOM 462 CG LEU A 30 -0.835 -12.218 -2.555 1.00 2.00 C ATOM 463 CD1 LEU A 30 -0.090 -11.246 -1.636 1.00 2.00 C ATOM 464 CD2 LEU A 30 -0.874 -13.614 -1.907 1.00 2.00 C ATOM 0 H LEU A 30 -3.223 -13.393 -1.729 1.00 2.00 H new ATOM 0 HA LEU A 30 -3.169 -10.668 -1.253 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -2.583 -12.382 -3.773 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -1.983 -10.745 -3.594 1.00 2.00 H new ATOM 0 HG LEU A 30 -0.282 -12.331 -3.488 1.00 2.00 H new ATOM 0 HD11 LEU A 30 0.856 -11.691 -1.326 1.00 2.00 H new ATOM 0 HD12 LEU A 30 0.104 -10.316 -2.171 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -0.699 -11.038 -0.756 1.00 2.00 H new ATOM 0 HD21 LEU A 30 0.132 -13.902 -1.601 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.526 -13.592 -1.034 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.256 -14.339 -2.626 1.00 2.00 H new ATOM 476 N THR A 31 -5.045 -10.890 -3.953 1.00 2.00 N ATOM 477 CA THR A 31 -6.078 -10.177 -4.792 1.00 2.00 C ATOM 478 C THR A 31 -6.939 -8.994 -4.218 1.00 2.00 C ATOM 479 O THR A 31 -6.909 -7.890 -4.774 1.00 2.00 O ATOM 480 CB THR A 31 -6.881 -11.263 -5.588 1.00 2.00 C ATOM 481 OG1 THR A 31 -7.754 -10.653 -6.535 1.00 2.00 O ATOM 482 CG2 THR A 31 -7.746 -12.236 -4.765 1.00 2.00 C ATOM 0 H THR A 31 -4.802 -11.803 -4.337 1.00 2.00 H new ATOM 0 HA THR A 31 -5.488 -9.530 -5.441 1.00 2.00 H new ATOM 0 HB THR A 31 -6.084 -11.852 -6.043 1.00 2.00 H new ATOM 0 HG1 THR A 31 -8.245 -11.347 -7.022 1.00 2.00 H new ATOM 0 HG21 THR A 31 -8.247 -12.934 -5.436 1.00 2.00 H new ATOM 0 HG22 THR A 31 -7.112 -12.790 -4.073 1.00 2.00 H new ATOM 0 HG23 THR A 31 -8.492 -11.674 -4.203 1.00 2.00 H new ATOM 490 N ILE A 32 -7.756 -9.237 -3.183 1.00 2.00 N ATOM 491 CA ILE A 32 -8.622 -8.201 -2.536 1.00 2.00 C ATOM 492 C ILE A 32 -7.738 -7.876 -1.256 1.00 2.00 C ATOM 493 O ILE A 32 -7.763 -8.669 -0.306 1.00 2.00 O ATOM 494 CB ILE A 32 -10.082 -8.735 -2.275 1.00 2.00 C ATOM 495 CG1 ILE A 32 -11.026 -8.694 -3.517 1.00 2.00 C ATOM 496 CG2 ILE A 32 -10.826 -7.950 -1.162 1.00 2.00 C ATOM 497 CD1 ILE A 32 -10.679 -9.628 -4.685 1.00 2.00 C ATOM 0 H ILE A 32 -7.846 -10.160 -2.757 1.00 2.00 H new ATOM 0 HA ILE A 32 -8.847 -7.308 -3.119 1.00 2.00 H new ATOM 0 HB ILE A 32 -9.894 -9.769 -1.985 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -12.036 -8.930 -3.183 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -11.046 -7.672 -3.895 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -11.825 -8.365 -1.030 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -10.272 -8.032 -0.227 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -10.904 -6.901 -1.447 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -11.412 -9.502 -5.482 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -9.686 -9.384 -5.063 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -10.692 -10.662 -4.340 1.00 2.00 H new ATOM 509 N PRO A 33 -6.982 -6.741 -1.154 1.00 2.00 N ATOM 510 CA PRO A 33 -6.147 -6.446 0.043 1.00 2.00 C ATOM 511 C PRO A 33 -6.739 -6.234 1.472 1.00 2.00 C ATOM 512 O PRO A 33 -7.947 -6.151 1.693 1.00 2.00 O ATOM 513 CB PRO A 33 -5.400 -5.159 -0.420 1.00 2.00 C ATOM 514 CG PRO A 33 -6.122 -4.577 -1.630 1.00 2.00 C ATOM 515 CD PRO A 33 -6.891 -5.741 -2.233 1.00 2.00 C ATOM 0 HA PRO A 33 -5.596 -7.360 0.265 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -5.371 -4.429 0.389 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -4.367 -5.394 -0.675 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -6.794 -3.770 -1.337 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -5.415 -4.159 -2.347 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -7.881 -5.429 -2.566 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -6.375 -6.146 -3.103 1.00 2.00 H new ATOM 523 N VAL A 34 -5.820 -6.164 2.460 1.00 2.00 N ATOM 524 CA VAL A 34 -6.151 -5.942 3.908 1.00 2.00 C ATOM 525 C VAL A 34 -6.556 -4.407 3.992 1.00 2.00 C ATOM 526 O VAL A 34 -7.631 -4.036 4.468 1.00 2.00 O ATOM 527 CB VAL A 34 -4.975 -6.242 4.915 1.00 2.00 C ATOM 528 CG1 VAL A 34 -5.340 -5.969 6.396 1.00 2.00 C ATOM 529 CG2 VAL A 34 -4.381 -7.655 4.882 1.00 2.00 C ATOM 0 H VAL A 34 -4.819 -6.259 2.287 1.00 2.00 H new ATOM 0 HA VAL A 34 -6.937 -6.635 4.209 1.00 2.00 H new ATOM 0 HB VAL A 34 -4.227 -5.542 4.542 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -4.483 -6.198 7.030 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -5.611 -4.920 6.517 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -6.183 -6.597 6.685 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -3.583 -7.731 5.620 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -5.159 -8.382 5.113 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -3.978 -7.857 3.890 1.00 2.00 H new ATOM 539 N LYS A 35 -5.643 -3.524 3.531 1.00 2.00 N ATOM 540 CA LYS A 35 -5.804 -2.062 3.502 1.00 2.00 C ATOM 541 C LYS A 35 -5.296 -1.522 2.125 1.00 2.00 C ATOM 542 O LYS A 35 -4.640 -2.182 1.316 1.00 2.00 O ATOM 543 CB LYS A 35 -5.061 -1.441 4.723 1.00 2.00 C ATOM 544 CG LYS A 35 -5.511 -0.014 5.126 1.00 2.00 C ATOM 545 CD LYS A 35 -4.502 0.686 6.060 1.00 2.00 C ATOM 546 CE LYS A 35 -4.902 2.111 6.484 1.00 2.00 C ATOM 547 NZ LYS A 35 -4.806 3.073 5.363 1.00 2.00 N ATOM 0 H LYS A 35 -4.743 -3.825 3.157 1.00 2.00 H new ATOM 0 HA LYS A 35 -6.852 -1.774 3.591 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -5.195 -2.100 5.581 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -3.994 -1.417 4.502 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -5.646 0.588 4.227 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -6.481 -0.069 5.621 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -4.373 0.078 6.955 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -3.534 0.728 5.561 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -5.922 2.102 6.867 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -4.258 2.440 7.300 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -5.084 4.019 5.693 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -3.827 3.102 5.013 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -5.439 2.774 4.594 1.00 2.00 H new ATOM 560 N ARG A 36 -5.699 -0.307 1.795 1.00 2.00 N ATOM 561 CA ARG A 36 -5.315 0.379 0.536 1.00 2.00 C ATOM 562 C ARG A 36 -5.054 1.815 1.124 1.00 2.00 C ATOM 563 O ARG A 36 -5.956 2.485 1.640 1.00 2.00 O ATOM 564 CB ARG A 36 -6.352 0.011 -0.556 1.00 2.00 C ATOM 565 CG ARG A 36 -6.011 0.311 -2.029 1.00 2.00 C ATOM 566 CD ARG A 36 -6.944 -0.359 -3.061 1.00 2.00 C ATOM 567 NE ARG A 36 -8.287 0.292 -3.080 1.00 2.00 N ATOM 568 CZ ARG A 36 -9.252 0.059 -3.962 1.00 2.00 C ATOM 569 NH1 ARG A 36 -9.154 -0.808 -4.928 1.00 2.00 N ATOM 570 NH2 ARG A 36 -10.358 0.720 -3.847 1.00 2.00 N ATOM 0 H ARG A 36 -6.310 0.253 2.390 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.437 0.133 -0.061 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -6.554 -1.057 -0.474 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -7.281 0.530 -0.319 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -6.040 1.390 -2.181 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -4.988 -0.011 -2.223 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -6.495 -0.300 -4.052 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -7.054 -1.417 -2.823 1.00 2.00 H new ATOM 0 HE ARG A 36 -8.481 0.977 -2.350 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -8.300 -1.354 -5.039 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -9.932 -0.941 -5.574 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -10.471 1.399 -3.094 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -11.117 0.563 -4.510 1.00 2.00 H new ATOM 584 N GLY A 37 -3.791 2.256 1.200 1.00 2.00 N ATOM 585 CA GLY A 37 -3.468 3.600 1.754 1.00 2.00 C ATOM 586 C GLY A 37 -2.299 4.380 1.140 1.00 2.00 C ATOM 587 O GLY A 37 -2.049 4.311 -0.060 1.00 2.00 O ATOM 0 H GLY A 37 -2.980 1.719 0.893 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -4.362 4.218 1.668 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -3.265 3.480 2.818 1.00 2.00 H new ATOM 591 N CYS A 38 -1.624 5.168 1.976 1.00 2.00 N ATOM 592 CA CYS A 38 -0.463 5.999 1.569 1.00 2.00 C ATOM 593 C CYS A 38 0.850 5.539 2.279 1.00 2.00 C ATOM 594 O CYS A 38 0.846 5.277 3.488 1.00 2.00 O ATOM 595 CB CYS A 38 -0.828 7.445 1.953 1.00 2.00 C ATOM 596 SG CYS A 38 -0.789 7.566 3.748 1.00 2.00 S ATOM 0 H CYS A 38 -1.859 5.257 2.964 1.00 2.00 H new ATOM 0 HA CYS A 38 -0.268 5.906 0.501 1.00 2.00 H new ATOM 0 HB2 CYS A 38 -0.124 8.148 1.508 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -1.817 7.702 1.574 1.00 2.00 H new ATOM 601 N ILE A 39 1.982 5.471 1.564 1.00 2.00 N ATOM 602 CA ILE A 39 3.278 5.038 2.171 1.00 2.00 C ATOM 603 C ILE A 39 4.538 5.478 1.353 1.00 2.00 C ATOM 604 O ILE A 39 4.431 5.906 0.208 1.00 2.00 O ATOM 605 CB ILE A 39 3.226 3.474 2.403 1.00 2.00 C ATOM 606 CG1 ILE A 39 4.006 2.976 3.639 1.00 2.00 C ATOM 607 CG2 ILE A 39 3.635 2.636 1.160 1.00 2.00 C ATOM 608 CD1 ILE A 39 3.599 3.580 4.996 1.00 2.00 C ATOM 0 H ILE A 39 2.041 5.705 0.573 1.00 2.00 H new ATOM 0 HA ILE A 39 3.394 5.549 3.127 1.00 2.00 H new ATOM 0 HB ILE A 39 2.166 3.306 2.596 1.00 2.00 H new ATOM 0 HG12 ILE A 39 3.894 1.893 3.700 1.00 2.00 H new ATOM 0 HG13 ILE A 39 5.065 3.179 3.479 1.00 2.00 H new ATOM 0 HG21 ILE A 39 3.573 1.575 1.400 1.00 2.00 H new ATOM 0 HG22 ILE A 39 2.962 2.860 0.332 1.00 2.00 H new ATOM 0 HG23 ILE A 39 4.657 2.884 0.874 1.00 2.00 H new ATOM 0 HD11 ILE A 39 4.218 3.152 5.785 1.00 2.00 H new ATOM 0 HD12 ILE A 39 3.740 4.661 4.970 1.00 2.00 H new ATOM 0 HD13 ILE A 39 2.551 3.355 5.195 1.00 2.00 H new ATOM 620 N ASP A 40 5.752 5.397 1.934 1.00 2.00 N ATOM 621 CA ASP A 40 7.028 5.783 1.231 1.00 2.00 C ATOM 622 C ASP A 40 7.361 4.541 0.364 1.00 2.00 C ATOM 623 O ASP A 40 6.755 4.395 -0.693 1.00 2.00 O ATOM 624 CB ASP A 40 8.079 6.336 2.242 1.00 2.00 C ATOM 625 CG ASP A 40 8.378 5.631 3.574 1.00 2.00 C ATOM 626 OD1 ASP A 40 8.922 6.209 4.507 1.00 2.00 O ATOM 627 OD2 ASP A 40 7.965 4.328 3.618 1.00 2.00 O ATOM 0 H ASP A 40 5.893 5.069 2.890 1.00 2.00 H new ATOM 0 HA ASP A 40 6.977 6.637 0.556 1.00 2.00 H new ATOM 0 HB2 ASP A 40 9.025 6.407 1.705 1.00 2.00 H new ATOM 0 HB3 ASP A 40 7.774 7.354 2.487 1.00 2.00 H new ATOM 633 N VAL A 41 8.297 3.668 0.736 1.00 2.00 N ATOM 634 CA VAL A 41 8.610 2.455 -0.082 1.00 2.00 C ATOM 635 C VAL A 41 7.571 1.368 0.404 1.00 2.00 C ATOM 636 O VAL A 41 6.913 1.547 1.438 1.00 2.00 O ATOM 637 CB VAL A 41 10.125 2.085 0.116 1.00 2.00 C ATOM 638 CG1 VAL A 41 10.561 0.775 -0.582 1.00 2.00 C ATOM 639 CG2 VAL A 41 11.098 3.179 -0.395 1.00 2.00 C ATOM 0 H VAL A 41 8.856 3.759 1.585 1.00 2.00 H new ATOM 0 HA VAL A 41 8.503 2.579 -1.160 1.00 2.00 H new ATOM 0 HB VAL A 41 10.190 1.973 1.198 1.00 2.00 H new ATOM 0 HG11 VAL A 41 11.620 0.597 -0.393 1.00 2.00 H new ATOM 0 HG12 VAL A 41 9.977 -0.058 -0.190 1.00 2.00 H new ATOM 0 HG13 VAL A 41 10.394 0.862 -1.656 1.00 2.00 H new ATOM 0 HG21 VAL A 41 12.126 2.859 -0.227 1.00 2.00 H new ATOM 0 HG22 VAL A 41 10.937 3.340 -1.461 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.915 4.109 0.144 1.00 2.00 H new ATOM 649 N CYS A 42 7.313 0.272 -0.345 1.00 2.00 N ATOM 650 CA CYS A 42 6.342 -0.818 0.052 1.00 2.00 C ATOM 651 C CYS A 42 7.068 -1.371 1.372 1.00 2.00 C ATOM 652 O CYS A 42 8.163 -1.935 1.246 1.00 2.00 O ATOM 653 CB CYS A 42 6.238 -1.735 -1.200 1.00 2.00 C ATOM 654 SG CYS A 42 6.495 -0.811 -2.757 1.00 2.00 S ATOM 0 H CYS A 42 7.763 0.102 -1.244 1.00 2.00 H new ATOM 0 HA CYS A 42 5.303 -0.602 0.300 1.00 2.00 H new ATOM 0 HB2 CYS A 42 6.978 -2.532 -1.127 1.00 2.00 H new ATOM 0 HB3 CYS A 42 5.257 -2.211 -1.219 1.00 2.00 H new ATOM 659 N PRO A 43 6.585 -1.128 2.633 1.00 2.00 N ATOM 660 CA PRO A 43 7.255 -1.606 3.871 1.00 2.00 C ATOM 661 C PRO A 43 7.719 -3.061 4.127 1.00 2.00 C ATOM 662 O PRO A 43 7.600 -3.956 3.288 1.00 2.00 O ATOM 663 CB PRO A 43 6.311 -1.081 4.987 1.00 2.00 C ATOM 664 CG PRO A 43 5.465 0.001 4.357 1.00 2.00 C ATOM 665 CD PRO A 43 5.296 -0.470 2.920 1.00 2.00 C ATOM 0 HA PRO A 43 8.276 -1.229 3.802 1.00 2.00 H new ATOM 0 HB2 PRO A 43 5.686 -1.885 5.377 1.00 2.00 H new ATOM 0 HB3 PRO A 43 6.884 -0.687 5.826 1.00 2.00 H new ATOM 0 HG2 PRO A 43 4.504 0.103 4.861 1.00 2.00 H new ATOM 0 HG3 PRO A 43 5.956 0.973 4.405 1.00 2.00 H new ATOM 0 HD2 PRO A 43 4.459 -1.160 2.817 1.00 2.00 H new ATOM 0 HD3 PRO A 43 5.108 0.362 2.242 1.00 2.00 H new ATOM 673 N LYS A 44 8.268 -3.271 5.345 1.00 2.00 N ATOM 674 CA LYS A 44 8.765 -4.592 5.799 1.00 2.00 C ATOM 675 C LYS A 44 7.462 -5.421 6.068 1.00 2.00 C ATOM 676 O LYS A 44 6.711 -5.208 7.029 1.00 2.00 O ATOM 677 CB LYS A 44 9.675 -4.452 7.046 1.00 2.00 C ATOM 678 CG LYS A 44 11.087 -3.892 6.758 1.00 2.00 C ATOM 679 CD LYS A 44 11.967 -3.844 8.021 1.00 2.00 C ATOM 680 CE LYS A 44 13.372 -3.305 7.720 1.00 2.00 C ATOM 681 NZ LYS A 44 14.160 -3.267 8.968 1.00 2.00 N ATOM 0 H LYS A 44 8.379 -2.533 6.040 1.00 2.00 H new ATOM 0 HA LYS A 44 9.400 -5.088 5.065 1.00 2.00 H new ATOM 0 HB2 LYS A 44 9.181 -3.801 7.767 1.00 2.00 H new ATOM 0 HB3 LYS A 44 9.776 -5.430 7.516 1.00 2.00 H new ATOM 0 HG2 LYS A 44 11.573 -4.510 6.003 1.00 2.00 H new ATOM 0 HG3 LYS A 44 10.999 -2.889 6.341 1.00 2.00 H new ATOM 0 HD2 LYS A 44 11.490 -3.214 8.772 1.00 2.00 H new ATOM 0 HD3 LYS A 44 12.046 -4.844 8.447 1.00 2.00 H new ATOM 0 HE2 LYS A 44 13.867 -3.939 6.984 1.00 2.00 H new ATOM 0 HE3 LYS A 44 13.306 -2.306 7.288 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 15.113 -2.902 8.766 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 13.690 -2.645 9.657 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 14.233 -4.227 9.362 1.00 2.00 H new ATOM 694 N ASN A 45 7.164 -6.311 5.122 1.00 2.00 N ATOM 695 CA ASN A 45 5.978 -7.186 5.165 1.00 2.00 C ATOM 696 C ASN A 45 5.943 -8.287 6.274 1.00 2.00 C ATOM 697 O ASN A 45 6.789 -9.181 6.331 1.00 2.00 O ATOM 698 CB ASN A 45 5.783 -7.643 3.692 1.00 2.00 C ATOM 699 CG ASN A 45 6.643 -8.794 3.163 1.00 2.00 C ATOM 700 OD1 ASN A 45 7.782 -8.611 2.755 1.00 2.00 O ATOM 701 ND2 ASN A 45 6.130 -9.995 3.130 1.00 2.00 N ATOM 0 H ASN A 45 7.741 -6.451 4.293 1.00 2.00 H new ATOM 0 HA ASN A 45 5.101 -6.645 5.522 1.00 2.00 H new ATOM 0 HB2 ASN A 45 4.738 -7.927 3.569 1.00 2.00 H new ATOM 0 HB3 ASN A 45 5.956 -6.778 3.051 1.00 2.00 H new ATOM 0 HD21 ASN A 45 6.678 -10.774 2.766 1.00 2.00 H new ATOM 0 HD22 ASN A 45 5.181 -10.154 3.469 1.00 2.00 H new ATOM 708 N SER A 46 4.952 -8.184 7.171 1.00 2.00 N ATOM 709 CA SER A 46 4.772 -9.145 8.288 1.00 2.00 C ATOM 710 C SER A 46 4.010 -10.450 7.881 1.00 2.00 C ATOM 711 O SER A 46 3.600 -10.618 6.728 1.00 2.00 O ATOM 712 CB SER A 46 4.135 -8.327 9.444 1.00 2.00 C ATOM 713 OG SER A 46 4.123 -9.081 10.659 1.00 2.00 O ATOM 0 H SER A 46 4.253 -7.441 7.151 1.00 2.00 H new ATOM 0 HA SER A 46 5.724 -9.562 8.617 1.00 2.00 H new ATOM 0 HB2 SER A 46 4.694 -7.403 9.591 1.00 2.00 H new ATOM 0 HB3 SER A 46 3.117 -8.045 9.177 1.00 2.00 H new ATOM 0 HG SER A 46 3.719 -8.545 11.373 1.00 2.00 H new ATOM 719 N LEU A 47 3.810 -11.392 8.824 1.00 2.00 N ATOM 720 CA LEU A 47 3.087 -12.687 8.558 1.00 2.00 C ATOM 721 C LEU A 47 1.666 -12.572 7.870 1.00 2.00 C ATOM 722 O LEU A 47 1.198 -13.515 7.229 1.00 2.00 O ATOM 723 CB LEU A 47 2.988 -13.480 9.895 1.00 2.00 C ATOM 724 CG LEU A 47 4.307 -13.964 10.558 1.00 2.00 C ATOM 725 CD1 LEU A 47 4.022 -14.518 11.963 1.00 2.00 C ATOM 726 CD2 LEU A 47 5.012 -15.051 9.730 1.00 2.00 C ATOM 0 H LEU A 47 4.134 -11.295 9.786 1.00 2.00 H new ATOM 0 HA LEU A 47 3.685 -13.212 7.813 1.00 2.00 H new ATOM 0 HB2 LEU A 47 2.463 -12.854 10.616 1.00 2.00 H new ATOM 0 HB3 LEU A 47 2.363 -14.355 9.718 1.00 2.00 H new ATOM 0 HG LEU A 47 4.967 -13.098 10.617 1.00 2.00 H new ATOM 0 HD11 LEU A 47 4.954 -14.854 12.418 1.00 2.00 H new ATOM 0 HD12 LEU A 47 3.579 -13.736 12.580 1.00 2.00 H new ATOM 0 HD13 LEU A 47 3.331 -15.358 11.890 1.00 2.00 H new ATOM 0 HD21 LEU A 47 5.928 -15.356 10.235 1.00 2.00 H new ATOM 0 HD22 LEU A 47 4.352 -15.912 9.623 1.00 2.00 H new ATOM 0 HD23 LEU A 47 5.256 -14.656 8.744 1.00 2.00 H new ATOM 738 N LEU A 48 0.992 -11.422 8.036 1.00 2.00 N ATOM 739 CA LEU A 48 -0.345 -11.125 7.463 1.00 2.00 C ATOM 740 C LEU A 48 -0.323 -10.189 6.191 1.00 2.00 C ATOM 741 O LEU A 48 -1.404 -9.826 5.717 1.00 2.00 O ATOM 742 CB LEU A 48 -1.173 -10.450 8.606 1.00 2.00 C ATOM 743 CG LEU A 48 -1.444 -11.245 9.914 1.00 2.00 C ATOM 744 CD1 LEU A 48 -2.071 -10.322 10.972 1.00 2.00 C ATOM 745 CD2 LEU A 48 -2.367 -12.453 9.685 1.00 2.00 C ATOM 0 H LEU A 48 1.366 -10.648 8.586 1.00 2.00 H new ATOM 0 HA LEU A 48 -0.782 -12.059 7.110 1.00 2.00 H new ATOM 0 HB2 LEU A 48 -0.661 -9.528 8.882 1.00 2.00 H new ATOM 0 HB3 LEU A 48 -2.139 -10.166 8.188 1.00 2.00 H new ATOM 0 HG LEU A 48 -0.482 -11.621 10.263 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -2.257 -10.888 11.885 1.00 2.00 H new ATOM 0 HD12 LEU A 48 -1.389 -9.500 11.188 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -3.012 -9.923 10.595 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -2.525 -12.974 10.629 1.00 2.00 H new ATOM 0 HD22 LEU A 48 -3.325 -12.110 9.295 1.00 2.00 H new ATOM 0 HD23 LEU A 48 -1.906 -13.132 8.968 1.00 2.00 H new ATOM 757 N VAL A 49 0.833 -9.817 5.582 1.00 2.00 N ATOM 758 CA VAL A 49 0.875 -8.922 4.377 1.00 2.00 C ATOM 759 C VAL A 49 2.114 -9.058 3.412 1.00 2.00 C ATOM 760 O VAL A 49 3.188 -9.532 3.778 1.00 2.00 O ATOM 761 CB VAL A 49 0.720 -7.441 4.927 1.00 2.00 C ATOM 762 CG1 VAL A 49 1.914 -6.906 5.755 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.399 -6.378 3.862 1.00 2.00 C ATOM 0 H VAL A 49 1.754 -10.119 5.900 1.00 2.00 H new ATOM 0 HA VAL A 49 0.064 -9.230 3.718 1.00 2.00 H new ATOM 0 HB VAL A 49 -0.140 -7.576 5.583 1.00 2.00 H new ATOM 0 HG11 VAL A 49 1.703 -5.887 6.081 1.00 2.00 H new ATOM 0 HG12 VAL A 49 2.066 -7.542 6.627 1.00 2.00 H new ATOM 0 HG13 VAL A 49 2.814 -6.912 5.141 1.00 2.00 H new ATOM 0 HG21 VAL A 49 0.313 -5.401 4.338 1.00 2.00 H new ATOM 0 HG22 VAL A 49 1.198 -6.352 3.121 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.542 -6.627 3.372 1.00 2.00 H new ATOM 773 N LYS A 50 1.921 -8.590 2.168 1.00 2.00 N ATOM 774 CA LYS A 50 2.910 -8.571 1.047 1.00 2.00 C ATOM 775 C LYS A 50 2.413 -7.363 0.165 1.00 2.00 C ATOM 776 O LYS A 50 1.774 -7.522 -0.875 1.00 2.00 O ATOM 777 CB LYS A 50 3.019 -9.923 0.298 1.00 2.00 C ATOM 778 CG LYS A 50 4.321 -10.054 -0.538 1.00 2.00 C ATOM 779 CD LYS A 50 4.165 -10.776 -1.897 1.00 2.00 C ATOM 780 CE LYS A 50 3.900 -9.860 -3.109 1.00 2.00 C ATOM 781 NZ LYS A 50 2.519 -9.344 -3.131 1.00 2.00 N ATOM 0 H LYS A 50 1.025 -8.190 1.889 1.00 2.00 H new ATOM 0 HA LYS A 50 3.939 -8.436 1.380 1.00 2.00 H new ATOM 0 HB2 LYS A 50 2.976 -10.737 1.022 1.00 2.00 H new ATOM 0 HB3 LYS A 50 2.158 -10.037 -0.361 1.00 2.00 H new ATOM 0 HG2 LYS A 50 4.719 -9.055 -0.719 1.00 2.00 H new ATOM 0 HG3 LYS A 50 5.062 -10.589 0.056 1.00 2.00 H new ATOM 0 HD2 LYS A 50 5.071 -11.351 -2.089 1.00 2.00 H new ATOM 0 HD3 LYS A 50 3.345 -11.490 -1.817 1.00 2.00 H new ATOM 0 HE2 LYS A 50 4.598 -9.023 -3.088 1.00 2.00 H new ATOM 0 HE3 LYS A 50 4.093 -10.413 -4.028 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 2.422 -8.643 -3.893 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 1.858 -10.129 -3.297 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 2.301 -8.895 -2.218 1.00 2.00 H new ATOM 794 N TYR A 51 2.725 -6.134 0.594 1.00 2.00 N ATOM 795 CA TYR A 51 2.335 -4.872 -0.091 1.00 2.00 C ATOM 796 C TYR A 51 2.747 -4.548 -1.570 1.00 2.00 C ATOM 797 O TYR A 51 3.920 -4.576 -1.946 1.00 2.00 O ATOM 798 CB TYR A 51 2.786 -3.624 0.758 1.00 2.00 C ATOM 799 CG TYR A 51 2.986 -3.698 2.285 1.00 2.00 C ATOM 800 CD1 TYR A 51 4.220 -4.138 2.768 1.00 2.00 C ATOM 801 CD2 TYR A 51 2.013 -3.267 3.190 1.00 2.00 C ATOM 802 CE1 TYR A 51 4.468 -4.148 4.133 1.00 2.00 C ATOM 803 CE2 TYR A 51 2.286 -3.258 4.560 1.00 2.00 C ATOM 804 CZ TYR A 51 3.509 -3.711 5.031 1.00 2.00 C ATOM 805 OH TYR A 51 3.790 -3.708 6.372 1.00 2.00 O ATOM 0 H TYR A 51 3.266 -5.974 1.443 1.00 2.00 H new ATOM 0 HA TYR A 51 1.266 -5.070 -0.166 1.00 2.00 H new ATOM 0 HB2 TYR A 51 3.730 -3.282 0.335 1.00 2.00 H new ATOM 0 HB3 TYR A 51 2.052 -2.839 0.576 1.00 2.00 H new ATOM 0 HD1 TYR A 51 4.982 -4.471 2.079 1.00 2.00 H new ATOM 0 HD2 TYR A 51 1.049 -2.940 2.830 1.00 2.00 H new ATOM 0 HE1 TYR A 51 5.421 -4.501 4.500 1.00 2.00 H new ATOM 0 HE2 TYR A 51 1.542 -2.897 5.255 1.00 2.00 H new ATOM 0 HH TYR A 51 4.663 -4.126 6.524 1.00 2.00 H new ATOM 815 N VAL A 52 1.743 -4.178 -2.376 1.00 2.00 N ATOM 816 CA VAL A 52 1.897 -3.802 -3.817 1.00 2.00 C ATOM 817 C VAL A 52 1.796 -2.228 -3.761 1.00 2.00 C ATOM 818 O VAL A 52 1.126 -1.638 -2.904 1.00 2.00 O ATOM 819 CB VAL A 52 0.980 -4.636 -4.766 1.00 2.00 C ATOM 820 CG1 VAL A 52 0.753 -4.018 -6.163 1.00 2.00 C ATOM 821 CG2 VAL A 52 1.618 -6.029 -4.998 1.00 2.00 C ATOM 0 H VAL A 52 0.777 -4.126 -2.054 1.00 2.00 H new ATOM 0 HA VAL A 52 2.836 -4.066 -4.303 1.00 2.00 H new ATOM 0 HB VAL A 52 0.015 -4.676 -4.261 1.00 2.00 H new ATOM 0 HG11 VAL A 52 0.104 -4.670 -6.748 1.00 2.00 H new ATOM 0 HG12 VAL A 52 0.284 -3.040 -6.056 1.00 2.00 H new ATOM 0 HG13 VAL A 52 1.711 -3.908 -6.672 1.00 2.00 H new ATOM 0 HG21 VAL A 52 0.981 -6.615 -5.660 1.00 2.00 H new ATOM 0 HG22 VAL A 52 2.601 -5.908 -5.453 1.00 2.00 H new ATOM 0 HG23 VAL A 52 1.722 -6.545 -4.044 1.00 2.00 H new ATOM 831 N CYS A 53 2.420 -1.496 -4.690 1.00 2.00 N ATOM 832 CA CYS A 53 2.385 -0.006 -4.686 1.00 2.00 C ATOM 833 C CYS A 53 2.416 0.763 -6.052 1.00 2.00 C ATOM 834 O CYS A 53 2.823 0.234 -7.089 1.00 2.00 O ATOM 835 CB CYS A 53 3.677 0.270 -3.844 1.00 2.00 C ATOM 836 SG CYS A 53 5.017 -0.958 -4.096 1.00 2.00 S ATOM 0 H CYS A 53 2.958 -1.898 -5.458 1.00 2.00 H new ATOM 0 HA CYS A 53 1.428 0.361 -4.315 1.00 2.00 H new ATOM 0 HB2 CYS A 53 4.056 1.261 -4.095 1.00 2.00 H new ATOM 0 HB3 CYS A 53 3.411 0.289 -2.787 1.00 2.00 H new ATOM 841 N CYS A 54 1.985 2.044 -6.019 1.00 2.00 N ATOM 842 CA CYS A 54 1.943 2.939 -7.211 1.00 2.00 C ATOM 843 C CYS A 54 2.315 4.413 -6.802 1.00 2.00 C ATOM 844 O CYS A 54 1.614 5.048 -6.015 1.00 2.00 O ATOM 845 CB CYS A 54 0.577 2.792 -7.914 1.00 2.00 C ATOM 846 SG CYS A 54 -0.782 3.402 -6.900 1.00 2.00 S ATOM 0 H CYS A 54 1.654 2.493 -5.165 1.00 2.00 H new ATOM 0 HA CYS A 54 2.696 2.647 -7.943 1.00 2.00 H new ATOM 0 HB2 CYS A 54 0.596 3.337 -8.858 1.00 2.00 H new ATOM 0 HB3 CYS A 54 0.406 1.743 -8.155 1.00 2.00 H new ATOM 851 N ASN A 55 3.375 4.986 -7.393 1.00 2.00 N ATOM 852 CA ASN A 55 3.886 6.380 -7.127 1.00 2.00 C ATOM 853 C ASN A 55 3.014 7.691 -7.248 1.00 2.00 C ATOM 854 O ASN A 55 3.603 8.779 -7.211 1.00 2.00 O ATOM 855 CB ASN A 55 5.116 6.523 -8.094 1.00 2.00 C ATOM 856 CG ASN A 55 6.342 5.642 -7.846 1.00 2.00 C ATOM 857 OD1 ASN A 55 6.409 4.502 -8.283 1.00 2.00 O ATOM 858 ND2 ASN A 55 7.334 6.118 -7.139 1.00 2.00 N ATOM 0 H ASN A 55 3.931 4.495 -8.093 1.00 2.00 H new ATOM 0 HA ASN A 55 4.021 6.384 -6.045 1.00 2.00 H new ATOM 0 HB2 ASN A 55 4.766 6.327 -9.108 1.00 2.00 H new ATOM 0 HB3 ASN A 55 5.443 7.563 -8.065 1.00 2.00 H new ATOM 0 HD21 ASN A 55 8.154 5.539 -6.957 1.00 2.00 H new ATOM 0 HD22 ASN A 55 7.288 7.068 -6.770 1.00 2.00 H new ATOM 865 N THR A 56 1.675 7.673 -7.373 1.00 2.00 N ATOM 866 CA THR A 56 0.868 8.934 -7.490 1.00 2.00 C ATOM 867 C THR A 56 -0.478 8.992 -6.679 1.00 2.00 C ATOM 868 O THR A 56 -0.883 8.075 -5.959 1.00 2.00 O ATOM 869 CB THR A 56 0.778 9.319 -9.015 1.00 2.00 C ATOM 870 OG1 THR A 56 0.400 10.684 -9.166 1.00 2.00 O ATOM 871 CG2 THR A 56 -0.204 8.508 -9.874 1.00 2.00 C ATOM 0 H THR A 56 1.120 6.818 -7.397 1.00 2.00 H new ATOM 0 HA THR A 56 1.400 9.724 -6.960 1.00 2.00 H new ATOM 0 HB THR A 56 1.783 9.098 -9.374 1.00 2.00 H new ATOM 0 HG1 THR A 56 0.351 10.906 -10.119 1.00 2.00 H new ATOM 0 HG21 THR A 56 -0.172 8.869 -10.902 1.00 2.00 H new ATOM 0 HG22 THR A 56 0.076 7.455 -9.851 1.00 2.00 H new ATOM 0 HG23 THR A 56 -1.214 8.624 -9.480 1.00 2.00 H new ATOM 879 N ASP A 57 -1.146 10.152 -6.774 1.00 2.00 N ATOM 880 CA ASP A 57 -2.438 10.451 -6.096 1.00 2.00 C ATOM 881 C ASP A 57 -3.664 9.596 -6.560 1.00 2.00 C ATOM 882 O ASP A 57 -4.061 9.636 -7.726 1.00 2.00 O ATOM 883 CB ASP A 57 -2.718 11.968 -6.302 1.00 2.00 C ATOM 884 CG ASP A 57 -1.734 12.934 -5.633 1.00 2.00 C ATOM 885 OD1 ASP A 57 -1.414 12.861 -4.450 1.00 2.00 O ATOM 886 OD2 ASP A 57 -1.265 13.883 -6.491 1.00 2.00 O ATOM 0 H ASP A 57 -0.804 10.932 -7.335 1.00 2.00 H new ATOM 0 HA ASP A 57 -2.324 10.181 -5.046 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -2.725 12.173 -7.373 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -3.719 12.186 -5.929 1.00 2.00 H new ATOM 892 N ARG A 58 -4.287 8.857 -5.622 1.00 2.00 N ATOM 893 CA ARG A 58 -5.476 7.977 -5.885 1.00 2.00 C ATOM 894 C ARG A 58 -5.265 6.874 -7.005 1.00 2.00 C ATOM 895 O ARG A 58 -6.222 6.469 -7.670 1.00 2.00 O ATOM 896 CB ARG A 58 -6.786 8.829 -6.038 1.00 2.00 C ATOM 897 CG ARG A 58 -7.242 9.743 -4.854 1.00 2.00 C ATOM 898 CD ARG A 58 -8.244 9.163 -3.825 1.00 2.00 C ATOM 899 NE ARG A 58 -9.632 9.089 -4.378 1.00 2.00 N ATOM 900 CZ ARG A 58 -10.723 8.742 -3.689 1.00 2.00 C ATOM 901 NH1 ARG A 58 -10.781 8.662 -2.395 1.00 2.00 N ATOM 902 NH2 ARG A 58 -11.806 8.460 -4.338 1.00 2.00 N ATOM 0 H ARG A 58 -3.988 8.844 -4.647 1.00 2.00 H new ATOM 0 HA ARG A 58 -5.604 7.363 -4.993 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -6.664 9.464 -6.915 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.602 8.140 -6.254 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -6.350 10.054 -4.311 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -7.686 10.643 -5.280 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -7.920 8.167 -3.524 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -8.243 9.783 -2.928 1.00 2.00 H new ATOM 0 HE ARG A 58 -9.756 9.323 -5.363 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -9.956 8.872 -1.834 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -11.652 8.390 -1.939 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -11.816 8.505 -5.357 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -12.650 8.193 -3.831 1.00 2.00 H new ATOM 916 N CYS A 59 -4.033 6.352 -7.179 1.00 2.00 N ATOM 917 CA CYS A 59 -3.718 5.306 -8.200 1.00 2.00 C ATOM 918 C CYS A 59 -4.008 3.818 -7.789 1.00 2.00 C ATOM 919 O CYS A 59 -4.153 2.951 -8.652 1.00 2.00 O ATOM 920 CB CYS A 59 -2.264 5.543 -8.646 1.00 2.00 C ATOM 921 SG CYS A 59 -1.086 5.343 -7.294 1.00 2.00 S ATOM 0 H CYS A 59 -3.226 6.636 -6.624 1.00 2.00 H new ATOM 0 HA CYS A 59 -4.414 5.425 -9.030 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -2.015 4.847 -9.447 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -2.173 6.548 -9.058 1.00 2.00 H new ATOM 926 N ASN A 60 -4.092 3.519 -6.483 1.00 2.00 N ATOM 927 CA ASN A 60 -4.362 2.164 -5.945 1.00 2.00 C ATOM 928 C ASN A 60 -5.842 1.712 -6.141 1.00 2.00 C ATOM 929 O ASN A 60 -6.792 2.090 -5.455 1.00 2.00 O ATOM 930 CB ASN A 60 -3.880 2.109 -4.472 1.00 2.00 C ATOM 931 CG ASN A 60 -4.321 3.172 -3.452 1.00 2.00 C ATOM 932 OD1 ASN A 60 -4.988 4.159 -3.737 1.00 2.00 O ATOM 933 ND2 ASN A 60 -3.906 3.034 -2.224 1.00 2.00 N ATOM 934 OXT ASN A 60 -5.981 0.830 -7.172 1.00 0.00 O ATOM 0 H ASN A 60 -3.973 4.221 -5.753 1.00 2.00 H new ATOM 0 HA ASN A 60 -3.795 1.431 -6.519 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.182 1.140 -4.074 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -2.790 2.120 -4.493 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.138 3.739 -1.525 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.349 2.221 -1.962 1.00 2.00 H new TER 942 ASN A 60