USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=10 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 19 ASN : amide:sc= 0.138 K(o=0.11,f=-1.1) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0253 K(o=0.11,f=-1) USER MOD Set 2.1: A 1 LEU N :NH3+ -151:sc= 0.503 (180deg=0.205) USER MOD Set 2.2: A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.929 K(o=-0.93,f=-2.5) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 120:sc= -0.0135 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.985) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 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= 0.125 X(o=0.13,f=-0.021) USER MOD Single : A 46 SER OG : rot 180:sc= 0.039 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.199 K(o=-0.2,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.106 12.472 0.730 1.00 2.00 N ATOM 2 CA LEU A 1 -0.739 11.636 -0.189 1.00 2.00 C ATOM 3 C LEU A 1 -1.513 10.520 0.616 1.00 2.00 C ATOM 4 O LEU A 1 -0.876 9.908 1.459 1.00 2.00 O ATOM 5 CB LEU A 1 0.258 11.187 -1.288 1.00 2.00 C ATOM 6 CG LEU A 1 -0.231 10.161 -2.338 1.00 2.00 C ATOM 7 CD1 LEU A 1 0.489 10.405 -3.672 1.00 2.00 C ATOM 8 CD2 LEU A 1 0.056 8.720 -1.883 1.00 2.00 C ATOM 0 H1 LEU A 1 0.202 13.430 0.337 1.00 2.00 H new ATOM 0 H2 LEU A 1 -0.346 12.525 1.665 1.00 2.00 H new ATOM 0 H3 LEU A 1 1.047 12.040 0.825 1.00 2.00 H new ATOM 0 HA LEU A 1 -1.572 12.149 -0.670 1.00 2.00 H new ATOM 0 HB2 LEU A 1 0.590 12.078 -1.821 1.00 2.00 H new ATOM 0 HB3 LEU A 1 1.133 10.767 -0.793 1.00 2.00 H new ATOM 0 HG LEU A 1 -1.307 10.288 -2.455 1.00 2.00 H new ATOM 0 HD11 LEU A 1 0.143 9.681 -4.410 1.00 2.00 H new ATOM 0 HD12 LEU A 1 0.272 11.414 -4.023 1.00 2.00 H new ATOM 0 HD13 LEU A 1 1.564 10.294 -3.531 1.00 2.00 H new ATOM 0 HD21 LEU A 1 -0.299 8.022 -2.641 1.00 2.00 H new ATOM 0 HD22 LEU A 1 1.129 8.590 -1.743 1.00 2.00 H new ATOM 0 HD23 LEU A 1 -0.459 8.526 -0.942 1.00 2.00 H new ATOM 22 N LYS A 2 -2.850 10.308 0.479 1.00 2.00 N ATOM 23 CA LYS A 2 -3.628 9.246 1.240 1.00 2.00 C ATOM 24 C LYS A 2 -4.155 8.084 0.339 1.00 2.00 C ATOM 25 O LYS A 2 -4.029 6.915 0.703 1.00 2.00 O ATOM 26 CB LYS A 2 -4.798 9.823 2.092 1.00 2.00 C ATOM 27 CG LYS A 2 -5.287 8.911 3.250 1.00 2.00 C ATOM 28 CD LYS A 2 -5.846 9.703 4.457 1.00 2.00 C ATOM 29 CE LYS A 2 -6.623 8.850 5.477 1.00 2.00 C ATOM 30 NZ LYS A 2 -5.716 7.980 6.253 1.00 2.00 N ATOM 0 H LYS A 2 -3.432 10.856 -0.154 1.00 2.00 H new ATOM 0 HA LYS A 2 -2.887 8.829 1.922 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -4.483 10.778 2.512 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.641 10.027 1.431 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -6.060 8.241 2.874 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -4.459 8.286 3.586 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -5.018 10.193 4.969 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -6.502 10.490 4.086 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -7.173 9.502 6.155 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -7.359 8.238 4.956 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -6.270 7.418 6.931 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -5.210 7.342 5.607 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -5.029 8.567 6.769 1.00 2.00 H new ATOM 43 N CYS A 3 -4.776 8.416 -0.807 1.00 2.00 N ATOM 44 CA CYS A 3 -5.329 7.441 -1.774 1.00 2.00 C ATOM 45 C CYS A 3 -6.752 6.838 -1.531 1.00 2.00 C ATOM 46 O CYS A 3 -7.669 7.572 -1.161 1.00 2.00 O ATOM 47 CB CYS A 3 -4.224 6.478 -2.286 1.00 2.00 C ATOM 48 SG CYS A 3 -2.596 7.215 -2.393 1.00 2.00 S ATOM 0 H CYS A 3 -4.912 9.385 -1.095 1.00 2.00 H new ATOM 0 HA CYS A 3 -5.639 8.054 -2.620 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -4.176 5.614 -1.623 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -4.508 6.109 -3.271 1.00 2.00 H new ATOM 53 N ASN A 4 -6.945 5.522 -1.724 1.00 2.00 N ATOM 54 CA ASN A 4 -8.250 4.841 -1.537 1.00 2.00 C ATOM 55 C ASN A 4 -8.233 3.538 -0.693 1.00 2.00 C ATOM 56 O ASN A 4 -7.432 2.651 -0.984 1.00 2.00 O ATOM 57 CB ASN A 4 -8.731 4.367 -2.959 1.00 2.00 C ATOM 58 CG ASN A 4 -8.719 5.342 -4.138 1.00 2.00 C ATOM 59 OD1 ASN A 4 -9.047 6.515 -4.022 1.00 2.00 O ATOM 60 ND2 ASN A 4 -8.396 4.873 -5.314 1.00 2.00 N ATOM 0 H ASN A 4 -6.198 4.891 -2.016 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.874 5.569 -1.018 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -8.116 3.512 -3.240 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -9.753 4.003 -2.850 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -8.418 5.484 -6.130 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -8.122 3.896 -5.416 1.00 2.00 H new ATOM 67 N LYS A 5 -9.131 3.371 0.296 1.00 2.00 N ATOM 68 CA LYS A 5 -9.182 2.130 1.138 1.00 2.00 C ATOM 69 C LYS A 5 -9.850 0.979 0.289 1.00 2.00 C ATOM 70 O LYS A 5 -9.883 1.064 -0.947 1.00 2.00 O ATOM 71 CB LYS A 5 -9.819 2.495 2.511 1.00 2.00 C ATOM 72 CG LYS A 5 -11.348 2.760 2.555 1.00 2.00 C ATOM 73 CD LYS A 5 -11.843 3.453 3.842 1.00 2.00 C ATOM 74 CE LYS A 5 -11.758 2.588 5.110 1.00 2.00 C ATOM 75 NZ LYS A 5 -12.335 3.338 6.243 1.00 2.00 N ATOM 0 H LYS A 5 -9.834 4.068 0.542 1.00 2.00 H new ATOM 0 HA LYS A 5 -8.206 1.724 1.403 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -9.600 1.685 3.207 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -9.314 3.385 2.888 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -11.622 3.376 1.698 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -11.871 1.810 2.445 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -11.259 4.360 3.998 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -12.878 3.761 3.697 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -12.298 1.652 4.964 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -10.720 2.328 5.320 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -12.281 2.759 7.106 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -11.801 4.219 6.384 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -13.329 3.564 6.039 1.00 2.00 H new ATOM 88 N LEU A 6 -10.316 -0.152 0.849 1.00 2.00 N ATOM 89 CA LEU A 6 -10.960 -1.240 0.016 1.00 2.00 C ATOM 90 C LEU A 6 -12.136 -0.743 -0.922 1.00 2.00 C ATOM 91 O LEU A 6 -12.345 -1.280 -2.012 1.00 2.00 O ATOM 92 CB LEU A 6 -11.445 -2.374 0.967 1.00 2.00 C ATOM 93 CG LEU A 6 -10.434 -3.483 1.333 1.00 2.00 C ATOM 94 CD1 LEU A 6 -10.062 -4.328 0.103 1.00 2.00 C ATOM 95 CD2 LEU A 6 -9.186 -2.935 2.039 1.00 2.00 C ATOM 0 H LEU A 6 -10.271 -0.355 1.848 1.00 2.00 H new ATOM 0 HA LEU A 6 -10.199 -1.608 -0.672 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -11.787 -1.912 1.893 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -12.313 -2.849 0.509 1.00 2.00 H new ATOM 0 HG LEU A 6 -10.932 -4.136 2.050 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -9.349 -5.100 0.394 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -10.959 -4.797 -0.301 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -9.614 -3.687 -0.656 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -8.510 -3.757 2.273 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -8.680 -2.224 1.385 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -9.480 -2.434 2.961 1.00 2.00 H new ATOM 107 N ILE A 7 -12.862 0.309 -0.496 1.00 2.00 N ATOM 108 CA ILE A 7 -13.994 0.926 -1.232 1.00 2.00 C ATOM 109 C ILE A 7 -13.461 1.613 -2.559 1.00 2.00 C ATOM 110 O ILE A 7 -12.463 2.340 -2.458 1.00 2.00 O ATOM 111 CB ILE A 7 -14.737 1.935 -0.270 1.00 2.00 C ATOM 112 CG1 ILE A 7 -15.289 1.331 1.060 1.00 2.00 C ATOM 113 CG2 ILE A 7 -15.872 2.753 -0.942 1.00 2.00 C ATOM 114 CD1 ILE A 7 -16.319 0.192 0.924 1.00 2.00 C ATOM 0 H ILE A 7 -12.675 0.770 0.395 1.00 2.00 H new ATOM 0 HA ILE A 7 -14.717 0.171 -1.541 1.00 2.00 H new ATOM 0 HB ILE A 7 -13.914 2.603 -0.015 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -14.445 0.960 1.642 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -15.745 2.136 1.637 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -16.325 3.418 -0.207 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -15.460 3.343 -1.760 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -16.629 2.073 -1.331 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -16.625 -0.142 1.915 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -17.190 0.553 0.377 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -15.871 -0.641 0.383 1.00 2.00 H new ATOM 126 N PRO A 8 -14.061 1.434 -3.780 1.00 2.00 N ATOM 127 CA PRO A 8 -13.600 2.054 -5.063 1.00 2.00 C ATOM 128 C PRO A 8 -12.649 3.300 -5.120 1.00 2.00 C ATOM 129 O PRO A 8 -11.474 3.134 -5.456 1.00 2.00 O ATOM 130 CB PRO A 8 -14.918 2.144 -5.852 1.00 2.00 C ATOM 131 CG PRO A 8 -15.672 0.878 -5.439 1.00 2.00 C ATOM 132 CD PRO A 8 -15.327 0.686 -3.961 1.00 2.00 C ATOM 0 HA PRO A 8 -12.814 1.436 -5.496 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -15.477 3.045 -5.597 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -14.741 2.172 -6.927 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -16.746 0.992 -5.583 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -15.360 0.019 -6.033 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -16.114 1.075 -3.315 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -15.204 -0.369 -3.715 1.00 2.00 H new ATOM 140 N ILE A 9 -13.122 4.504 -4.770 1.00 2.00 N ATOM 141 CA ILE A 9 -12.294 5.758 -4.789 1.00 2.00 C ATOM 142 C ILE A 9 -12.557 6.573 -3.461 1.00 2.00 C ATOM 143 O ILE A 9 -13.154 7.654 -3.460 1.00 2.00 O ATOM 144 CB ILE A 9 -12.499 6.491 -6.170 1.00 2.00 C ATOM 145 CG1 ILE A 9 -11.437 7.596 -6.413 1.00 2.00 C ATOM 146 CG2 ILE A 9 -13.935 7.030 -6.425 1.00 2.00 C ATOM 147 CD1 ILE A 9 -11.310 8.079 -7.872 1.00 2.00 C ATOM 0 H ILE A 9 -14.083 4.656 -4.464 1.00 2.00 H new ATOM 0 HA ILE A 9 -11.220 5.573 -4.760 1.00 2.00 H new ATOM 0 HB ILE A 9 -12.354 5.702 -6.908 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -11.678 8.453 -5.784 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -10.467 7.223 -6.086 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -13.973 7.517 -7.400 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -14.643 6.202 -6.405 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -14.196 7.750 -5.650 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -10.542 8.850 -7.934 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -11.034 7.240 -8.510 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -12.264 8.489 -8.204 1.00 2.00 H new ATOM 159 N ALA A 10 -12.021 6.082 -2.325 1.00 2.00 N ATOM 160 CA ALA A 10 -12.184 6.720 -0.990 1.00 2.00 C ATOM 161 C ALA A 10 -11.501 8.070 -0.525 1.00 2.00 C ATOM 162 O ALA A 10 -11.989 9.154 -0.848 1.00 2.00 O ATOM 163 CB ALA A 10 -12.119 5.541 0.005 1.00 2.00 C ATOM 0 H ALA A 10 -11.461 5.230 -2.301 1.00 2.00 H new ATOM 0 HA ALA A 10 -13.124 7.267 -1.057 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -12.231 5.917 1.022 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -12.922 4.837 -0.212 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -11.158 5.036 -0.092 1.00 2.00 H new ATOM 169 N SER A 11 -10.414 8.029 0.263 1.00 2.00 N ATOM 170 CA SER A 11 -9.684 9.230 0.785 1.00 2.00 C ATOM 171 C SER A 11 -8.954 10.277 -0.148 1.00 2.00 C ATOM 172 O SER A 11 -9.147 10.284 -1.367 1.00 2.00 O ATOM 173 CB SER A 11 -8.819 8.634 1.931 1.00 2.00 C ATOM 174 OG SER A 11 -8.413 9.665 2.831 1.00 2.00 O ATOM 0 H SER A 11 -9.998 7.150 0.570 1.00 2.00 H new ATOM 0 HA SER A 11 -10.434 9.968 1.069 1.00 2.00 H new ATOM 0 HB2 SER A 11 -9.388 7.875 2.469 1.00 2.00 H new ATOM 0 HB3 SER A 11 -7.942 8.139 1.514 1.00 2.00 H new ATOM 0 HG SER A 11 -8.756 9.470 3.728 1.00 2.00 H new ATOM 180 N LYS A 12 -8.149 11.204 0.442 1.00 2.00 N ATOM 181 CA LYS A 12 -7.398 12.259 -0.308 1.00 2.00 C ATOM 182 C LYS A 12 -5.866 12.484 0.016 1.00 2.00 C ATOM 183 O LYS A 12 -5.035 11.976 -0.748 1.00 2.00 O ATOM 184 CB LYS A 12 -8.265 13.558 -0.250 1.00 2.00 C ATOM 185 CG LYS A 12 -7.885 14.661 -1.267 1.00 2.00 C ATOM 186 CD LYS A 12 -8.291 14.334 -2.729 1.00 2.00 C ATOM 187 CE LYS A 12 -7.220 14.650 -3.785 1.00 2.00 C ATOM 188 NZ LYS A 12 -6.146 13.635 -3.763 1.00 2.00 N ATOM 0 H LYS A 12 -8.001 11.243 1.450 1.00 2.00 H new ATOM 0 HA LYS A 12 -7.277 11.891 -1.327 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -9.308 13.285 -0.410 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -8.195 13.975 0.755 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -8.360 15.596 -0.969 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -6.808 14.823 -1.227 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -8.542 13.275 -2.793 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -9.196 14.891 -2.972 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -7.676 14.682 -4.774 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -6.798 15.637 -3.597 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -5.433 13.868 -4.484 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -5.698 13.624 -2.824 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -6.550 12.698 -3.965 1.00 2.00 H new ATOM 201 N THR A 13 -5.448 13.197 1.100 1.00 2.00 N ATOM 202 CA THR A 13 -3.989 13.427 1.417 1.00 2.00 C ATOM 203 C THR A 13 -3.451 13.226 2.893 1.00 2.00 C ATOM 204 O THR A 13 -3.817 13.949 3.818 1.00 2.00 O ATOM 205 CB THR A 13 -3.528 14.783 0.792 1.00 2.00 C ATOM 206 OG1 THR A 13 -2.108 14.865 0.813 1.00 2.00 O ATOM 207 CG2 THR A 13 -4.041 16.075 1.448 1.00 2.00 C ATOM 0 H THR A 13 -6.087 13.624 1.770 1.00 2.00 H new ATOM 0 HA THR A 13 -3.507 12.570 0.948 1.00 2.00 H new ATOM 0 HB THR A 13 -3.966 14.747 -0.205 1.00 2.00 H new ATOM 0 HG1 THR A 13 -1.824 15.716 0.419 1.00 2.00 H new ATOM 0 HG21 THR A 13 -3.643 16.937 0.913 1.00 2.00 H new ATOM 0 HG22 THR A 13 -5.130 16.095 1.410 1.00 2.00 H new ATOM 0 HG23 THR A 13 -3.714 16.110 2.487 1.00 2.00 H new ATOM 215 N CYS A 14 -2.507 12.274 3.070 1.00 2.00 N ATOM 216 CA CYS A 14 -1.857 11.923 4.368 1.00 2.00 C ATOM 217 C CYS A 14 -0.402 12.573 4.460 1.00 2.00 C ATOM 218 O CYS A 14 0.005 13.247 3.501 1.00 2.00 O ATOM 219 CB CYS A 14 -1.992 10.373 4.555 1.00 2.00 C ATOM 220 SG CYS A 14 -0.539 9.381 4.088 1.00 2.00 S ATOM 0 H CYS A 14 -2.161 11.708 2.295 1.00 2.00 H new ATOM 0 HA CYS A 14 -2.348 12.359 5.238 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -2.223 10.172 5.601 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -2.845 10.030 3.969 1.00 2.00 H new ATOM 225 N PRO A 15 0.420 12.418 5.542 1.00 2.00 N ATOM 226 CA PRO A 15 1.793 13.029 5.640 1.00 2.00 C ATOM 227 C PRO A 15 2.894 12.878 4.528 1.00 2.00 C ATOM 228 O PRO A 15 2.678 12.234 3.504 1.00 2.00 O ATOM 229 CB PRO A 15 2.250 12.470 7.010 1.00 2.00 C ATOM 230 CG PRO A 15 0.976 12.299 7.828 1.00 2.00 C ATOM 231 CD PRO A 15 -0.025 11.783 6.803 1.00 2.00 C ATOM 0 HA PRO A 15 1.689 14.105 5.500 1.00 2.00 H new ATOM 0 HB2 PRO A 15 2.770 11.520 6.892 1.00 2.00 H new ATOM 0 HB3 PRO A 15 2.942 13.154 7.501 1.00 2.00 H new ATOM 0 HG2 PRO A 15 1.114 11.593 8.647 1.00 2.00 H new ATOM 0 HG3 PRO A 15 0.651 13.241 8.270 1.00 2.00 H new ATOM 0 HD2 PRO A 15 -0.006 10.695 6.734 1.00 2.00 H new ATOM 0 HD3 PRO A 15 -1.046 12.068 7.059 1.00 2.00 H new ATOM 239 N ALA A 16 4.039 13.557 4.782 1.00 2.00 N ATOM 240 CA ALA A 16 5.286 13.634 3.951 1.00 2.00 C ATOM 241 C ALA A 16 5.346 13.280 2.423 1.00 2.00 C ATOM 242 O ALA A 16 4.337 13.275 1.711 1.00 2.00 O ATOM 243 CB ALA A 16 6.304 12.885 4.858 1.00 2.00 C ATOM 0 H ALA A 16 4.132 14.110 5.634 1.00 2.00 H new ATOM 0 HA ALA A 16 5.477 14.683 3.725 1.00 2.00 H new ATOM 0 HB1 ALA A 16 7.278 12.863 4.370 1.00 2.00 H new ATOM 0 HB2 ALA A 16 6.389 13.402 5.814 1.00 2.00 H new ATOM 0 HB3 ALA A 16 5.959 11.865 5.027 1.00 2.00 H new ATOM 249 N GLY A 17 6.564 13.090 1.867 1.00 2.00 N ATOM 250 CA GLY A 17 6.733 12.737 0.417 1.00 2.00 C ATOM 251 C GLY A 17 6.540 11.222 0.117 1.00 2.00 C ATOM 252 O GLY A 17 7.219 10.643 -0.732 1.00 2.00 O ATOM 0 H GLY A 17 7.440 13.171 2.382 1.00 2.00 H new ATOM 0 HA2 GLY A 17 6.018 13.310 -0.173 1.00 2.00 H new ATOM 0 HA3 GLY A 17 7.729 13.039 0.092 1.00 2.00 H new ATOM 256 N LYS A 18 5.587 10.597 0.827 1.00 2.00 N ATOM 257 CA LYS A 18 5.227 9.171 0.713 1.00 2.00 C ATOM 258 C LYS A 18 4.234 9.048 -0.488 1.00 2.00 C ATOM 259 O LYS A 18 3.012 9.029 -0.335 1.00 2.00 O ATOM 260 CB LYS A 18 4.754 8.688 2.113 1.00 2.00 C ATOM 261 CG LYS A 18 3.622 9.435 2.845 1.00 2.00 C ATOM 262 CD LYS A 18 2.786 8.575 3.817 1.00 2.00 C ATOM 263 CE LYS A 18 3.364 8.291 5.212 1.00 2.00 C ATOM 264 NZ LYS A 18 4.488 7.336 5.170 1.00 2.00 N ATOM 0 H LYS A 18 5.024 11.087 1.522 1.00 2.00 H new ATOM 0 HA LYS A 18 6.044 8.493 0.467 1.00 2.00 H new ATOM 0 HB2 LYS A 18 4.442 7.649 2.009 1.00 2.00 H new ATOM 0 HB3 LYS A 18 5.624 8.695 2.769 1.00 2.00 H new ATOM 0 HG2 LYS A 18 4.057 10.265 3.402 1.00 2.00 H new ATOM 0 HG3 LYS A 18 2.953 9.867 2.101 1.00 2.00 H new ATOM 0 HD2 LYS A 18 1.821 9.064 3.949 1.00 2.00 H new ATOM 0 HD3 LYS A 18 2.594 7.617 3.334 1.00 2.00 H new ATOM 0 HE2 LYS A 18 3.701 9.226 5.660 1.00 2.00 H new ATOM 0 HE3 LYS A 18 2.578 7.895 5.855 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 4.382 6.641 5.936 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 4.491 6.844 4.254 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 5.384 7.849 5.290 1.00 2.00 H new ATOM 277 N ASN A 19 4.818 8.991 -1.695 1.00 2.00 N ATOM 278 CA ASN A 19 4.083 8.883 -2.980 1.00 2.00 C ATOM 279 C ASN A 19 3.307 7.599 -3.401 1.00 2.00 C ATOM 280 O ASN A 19 2.293 7.698 -4.095 1.00 2.00 O ATOM 281 CB ASN A 19 5.027 9.420 -4.097 1.00 2.00 C ATOM 282 CG ASN A 19 6.183 8.517 -4.538 1.00 2.00 C ATOM 283 OD1 ASN A 19 6.049 7.681 -5.420 1.00 2.00 O ATOM 284 ND2 ASN A 19 7.348 8.647 -3.957 1.00 2.00 N ATOM 0 H ASN A 19 5.831 9.019 -1.815 1.00 2.00 H new ATOM 0 HA ASN A 19 3.192 9.484 -2.801 1.00 2.00 H new ATOM 0 HB2 ASN A 19 4.419 9.641 -4.974 1.00 2.00 H new ATOM 0 HB3 ASN A 19 5.449 10.365 -3.755 1.00 2.00 H new ATOM 0 HD21 ASN A 19 8.129 8.055 -4.242 1.00 2.00 H new ATOM 0 HD22 ASN A 19 7.476 9.340 -3.220 1.00 2.00 H new ATOM 291 N LEU A 20 3.787 6.416 -3.038 1.00 2.00 N ATOM 292 CA LEU A 20 3.134 5.138 -3.386 1.00 2.00 C ATOM 293 C LEU A 20 1.770 4.855 -2.684 1.00 2.00 C ATOM 294 O LEU A 20 1.666 4.751 -1.459 1.00 2.00 O ATOM 295 CB LEU A 20 4.132 3.994 -3.066 1.00 2.00 C ATOM 296 CG LEU A 20 5.453 3.870 -3.872 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.176 2.587 -3.464 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.286 3.825 -5.392 1.00 2.00 C ATOM 0 H LEU A 20 4.642 6.304 -2.492 1.00 2.00 H new ATOM 0 HA LEU A 20 2.883 5.201 -4.445 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.401 4.083 -2.014 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.594 3.053 -3.179 1.00 2.00 H new ATOM 0 HG LEU A 20 6.012 4.775 -3.634 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.104 2.497 -4.028 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.401 2.620 -2.398 1.00 2.00 H new ATOM 0 HD13 LEU A 20 5.539 1.728 -3.674 1.00 2.00 H new ATOM 0 HD21 LEU A 20 6.265 3.738 -5.863 1.00 2.00 H new ATOM 0 HD22 LEU A 20 4.674 2.966 -5.665 1.00 2.00 H new ATOM 0 HD23 LEU A 20 4.800 4.740 -5.732 1.00 2.00 H new ATOM 310 N CYS A 21 0.707 4.725 -3.486 1.00 2.00 N ATOM 311 CA CYS A 21 -0.658 4.440 -2.985 1.00 2.00 C ATOM 312 C CYS A 21 -0.644 2.882 -2.776 1.00 2.00 C ATOM 313 O CYS A 21 -0.822 2.117 -3.734 1.00 2.00 O ATOM 314 CB CYS A 21 -1.603 4.894 -4.112 1.00 2.00 C ATOM 315 SG CYS A 21 -1.807 6.666 -4.129 1.00 2.00 S ATOM 0 H CYS A 21 0.760 4.813 -4.501 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.968 4.935 -2.065 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -1.208 4.564 -5.073 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.575 4.417 -3.986 1.00 2.00 H new ATOM 320 N TYR A 22 -0.390 2.394 -1.547 1.00 2.00 N ATOM 321 CA TYR A 22 -0.350 0.937 -1.277 1.00 2.00 C ATOM 322 C TYR A 22 -1.664 0.100 -1.354 1.00 2.00 C ATOM 323 O TYR A 22 -2.792 0.563 -1.202 1.00 2.00 O ATOM 324 CB TYR A 22 0.590 0.592 -0.060 1.00 2.00 C ATOM 325 CG TYR A 22 0.178 0.627 1.439 1.00 2.00 C ATOM 326 CD1 TYR A 22 -1.129 0.441 1.899 1.00 2.00 C ATOM 327 CD2 TYR A 22 1.197 0.732 2.394 1.00 2.00 C ATOM 328 CE1 TYR A 22 -1.427 0.490 3.260 1.00 2.00 C ATOM 329 CE2 TYR A 22 0.909 0.781 3.756 1.00 2.00 C ATOM 330 CZ TYR A 22 -0.408 0.664 4.184 1.00 2.00 C ATOM 331 OH TYR A 22 -0.704 0.670 5.518 1.00 2.00 O ATOM 0 H TYR A 22 -0.211 2.978 -0.730 1.00 2.00 H new ATOM 0 HA TYR A 22 0.110 0.554 -2.188 1.00 2.00 H new ATOM 0 HB2 TYR A 22 0.954 -0.419 -0.244 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.446 1.261 -0.148 1.00 2.00 H new ATOM 0 HD1 TYR A 22 -1.921 0.256 1.188 1.00 2.00 H new ATOM 0 HD2 TYR A 22 2.226 0.776 2.068 1.00 2.00 H new ATOM 0 HE1 TYR A 22 -2.449 0.393 3.594 1.00 2.00 H new ATOM 0 HE2 TYR A 22 1.704 0.909 4.475 1.00 2.00 H new ATOM 0 HH TYR A 22 0.118 0.801 6.035 1.00 2.00 H new ATOM 341 N LYS A 23 -1.436 -1.188 -1.549 1.00 2.00 N ATOM 342 CA LYS A 23 -2.441 -2.256 -1.659 1.00 2.00 C ATOM 343 C LYS A 23 -1.831 -3.292 -0.669 1.00 2.00 C ATOM 344 O LYS A 23 -1.006 -4.123 -1.055 1.00 2.00 O ATOM 345 CB LYS A 23 -2.556 -2.758 -3.126 1.00 2.00 C ATOM 346 CG LYS A 23 -3.681 -2.072 -3.921 1.00 2.00 C ATOM 347 CD LYS A 23 -3.749 -2.458 -5.409 1.00 2.00 C ATOM 348 CE LYS A 23 -2.768 -1.656 -6.277 1.00 2.00 C ATOM 349 NZ LYS A 23 -2.927 -2.064 -7.686 1.00 2.00 N ATOM 0 H LYS A 23 -0.486 -1.549 -1.642 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.470 -1.987 -1.419 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -1.607 -2.590 -3.635 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -2.729 -3.834 -3.121 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -4.636 -2.313 -3.454 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -3.553 -0.992 -3.846 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -3.534 -3.521 -5.514 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -4.764 -2.300 -5.775 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -2.958 -0.588 -6.171 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -1.744 -1.832 -5.948 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -2.265 -1.525 -8.280 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -2.726 -3.080 -7.778 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -3.902 -1.875 -7.994 1.00 2.00 H new ATOM 362 N MET A 24 -2.190 -3.216 0.627 1.00 2.00 N ATOM 363 CA MET A 24 -1.676 -4.145 1.678 1.00 2.00 C ATOM 364 C MET A 24 -2.276 -5.588 1.521 1.00 2.00 C ATOM 365 O MET A 24 -3.067 -6.039 2.345 1.00 2.00 O ATOM 366 CB MET A 24 -2.056 -3.420 3.005 1.00 2.00 C ATOM 367 CG MET A 24 -1.546 -3.990 4.331 1.00 2.00 C ATOM 368 SD MET A 24 -2.338 -3.174 5.724 1.00 2.00 S ATOM 369 CE MET A 24 -1.484 -4.030 7.056 1.00 2.00 C ATOM 0 H MET A 24 -2.841 -2.516 0.984 1.00 2.00 H new ATOM 0 HA MET A 24 -0.603 -4.331 1.625 1.00 2.00 H new ATOM 0 HB2 MET A 24 -1.704 -2.391 2.931 1.00 2.00 H new ATOM 0 HB3 MET A 24 -3.144 -3.381 3.060 1.00 2.00 H new ATOM 0 HG2 MET A 24 -1.743 -5.061 4.371 1.00 2.00 H new ATOM 0 HG3 MET A 24 -0.465 -3.862 4.395 1.00 2.00 H new ATOM 0 HE1 MET A 24 -1.842 -3.658 8.016 1.00 2.00 H new ATOM 0 HE2 MET A 24 -1.680 -5.100 6.985 1.00 2.00 H new ATOM 0 HE3 MET A 24 -0.412 -3.851 6.975 1.00 2.00 H new ATOM 379 N PHE A 25 -1.907 -6.314 0.453 1.00 2.00 N ATOM 380 CA PHE A 25 -2.392 -7.690 0.172 1.00 2.00 C ATOM 381 C PHE A 25 -2.061 -8.704 1.308 1.00 2.00 C ATOM 382 O PHE A 25 -0.909 -8.784 1.738 1.00 2.00 O ATOM 383 CB PHE A 25 -1.804 -8.145 -1.198 1.00 2.00 C ATOM 384 CG PHE A 25 -2.357 -7.659 -2.556 1.00 2.00 C ATOM 385 CD1 PHE A 25 -3.433 -6.778 -2.704 1.00 2.00 C ATOM 386 CD2 PHE A 25 -1.799 -8.238 -3.702 1.00 2.00 C ATOM 387 CE1 PHE A 25 -3.940 -6.482 -3.968 1.00 2.00 C ATOM 388 CE2 PHE A 25 -2.313 -7.953 -4.965 1.00 2.00 C ATOM 389 CZ PHE A 25 -3.380 -7.071 -5.096 1.00 2.00 C ATOM 0 H PHE A 25 -1.257 -5.965 -0.251 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.481 -7.670 0.125 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.746 -7.882 -1.183 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -1.861 -9.233 -1.213 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -3.875 -6.323 -1.830 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -0.961 -8.913 -3.606 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -4.767 -5.796 -4.071 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -1.883 -8.416 -5.841 1.00 2.00 H new ATOM 0 HZ PHE A 25 -3.774 -6.843 -6.075 1.00 2.00 H new ATOM 399 N MET A 26 -3.063 -9.439 1.824 1.00 2.00 N ATOM 400 CA MET A 26 -2.847 -10.438 2.912 1.00 2.00 C ATOM 401 C MET A 26 -1.844 -11.553 2.477 1.00 2.00 C ATOM 402 O MET A 26 -2.059 -12.145 1.416 1.00 2.00 O ATOM 403 CB MET A 26 -4.185 -11.180 3.224 1.00 2.00 C ATOM 404 CG MET A 26 -5.333 -10.432 3.913 1.00 2.00 C ATOM 405 SD MET A 26 -6.850 -11.409 3.844 1.00 2.00 S ATOM 406 CE MET A 26 -6.586 -12.565 5.202 1.00 2.00 C ATOM 0 H MET A 26 -4.032 -9.368 1.513 1.00 2.00 H new ATOM 0 HA MET A 26 -2.465 -9.885 3.770 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.570 -11.566 2.280 1.00 2.00 H new ATOM 0 HB3 MET A 26 -3.941 -12.042 3.845 1.00 2.00 H new ATOM 0 HG2 MET A 26 -5.071 -10.227 4.951 1.00 2.00 H new ATOM 0 HG3 MET A 26 -5.491 -9.469 3.428 1.00 2.00 H new ATOM 0 HE1 MET A 26 -7.443 -13.234 5.282 1.00 2.00 H new ATOM 0 HE2 MET A 26 -5.686 -13.149 5.012 1.00 2.00 H new ATOM 0 HE3 MET A 26 -6.470 -12.011 6.134 1.00 2.00 H new ATOM 416 N MET A 27 -0.779 -11.881 3.241 1.00 2.00 N ATOM 417 CA MET A 27 0.179 -12.968 2.812 1.00 2.00 C ATOM 418 C MET A 27 -0.558 -14.344 2.506 1.00 2.00 C ATOM 419 O MET A 27 -0.192 -15.080 1.588 1.00 2.00 O ATOM 420 CB MET A 27 1.348 -13.106 3.827 1.00 2.00 C ATOM 421 CG MET A 27 2.737 -13.366 3.209 1.00 2.00 C ATOM 422 SD MET A 27 2.755 -14.870 2.208 1.00 2.00 S ATOM 423 CE MET A 27 3.028 -14.175 0.568 1.00 2.00 C ATOM 0 H MET A 27 -0.550 -11.437 4.130 1.00 2.00 H new ATOM 0 HA MET A 27 0.620 -12.669 1.861 1.00 2.00 H new ATOM 0 HB2 MET A 27 1.399 -12.194 4.422 1.00 2.00 H new ATOM 0 HB3 MET A 27 1.116 -13.921 4.513 1.00 2.00 H new ATOM 0 HG2 MET A 27 3.025 -12.515 2.592 1.00 2.00 H new ATOM 0 HG3 MET A 27 3.479 -13.449 4.004 1.00 2.00 H new ATOM 0 HE1 MET A 27 3.064 -14.979 -0.167 1.00 2.00 H new ATOM 0 HE2 MET A 27 2.213 -13.494 0.321 1.00 2.00 H new ATOM 0 HE3 MET A 27 3.972 -13.630 0.556 1.00 2.00 H new ATOM 433 N SER A 28 -1.616 -14.660 3.285 1.00 2.00 N ATOM 434 CA SER A 28 -2.431 -15.893 3.134 1.00 2.00 C ATOM 435 C SER A 28 -3.582 -15.794 2.040 1.00 2.00 C ATOM 436 O SER A 28 -4.190 -16.811 1.700 1.00 2.00 O ATOM 437 CB SER A 28 -2.997 -16.253 4.528 1.00 2.00 C ATOM 438 OG SER A 28 -1.960 -16.612 5.444 1.00 2.00 O ATOM 0 H SER A 28 -1.935 -14.061 4.047 1.00 2.00 H new ATOM 0 HA SER A 28 -1.783 -16.684 2.756 1.00 2.00 H new ATOM 0 HB2 SER A 28 -3.555 -15.404 4.924 1.00 2.00 H new ATOM 0 HB3 SER A 28 -3.700 -17.080 4.432 1.00 2.00 H new ATOM 0 HG SER A 28 -2.354 -16.831 6.314 1.00 2.00 H new ATOM 444 N ASP A 29 -3.955 -14.595 1.532 1.00 2.00 N ATOM 445 CA ASP A 29 -5.020 -14.378 0.499 1.00 2.00 C ATOM 446 C ASP A 29 -4.806 -12.953 -0.141 1.00 2.00 C ATOM 447 O ASP A 29 -5.548 -12.000 0.103 1.00 2.00 O ATOM 448 CB ASP A 29 -6.435 -14.610 1.124 1.00 2.00 C ATOM 449 CG ASP A 29 -7.224 -15.741 0.477 1.00 2.00 C ATOM 450 OD1 ASP A 29 -8.262 -15.561 -0.150 1.00 2.00 O ATOM 451 OD2 ASP A 29 -6.640 -16.960 0.670 1.00 2.00 O ATOM 0 H ASP A 29 -3.518 -13.723 1.831 1.00 2.00 H new ATOM 0 HA ASP A 29 -4.950 -15.103 -0.312 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -6.320 -14.823 2.187 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -7.011 -13.688 1.044 1.00 2.00 H new ATOM 457 N LEU A 30 -3.829 -12.859 -1.049 1.00 2.00 N ATOM 458 CA LEU A 30 -3.435 -11.623 -1.774 1.00 2.00 C ATOM 459 C LEU A 30 -4.468 -10.642 -2.447 1.00 2.00 C ATOM 460 O LEU A 30 -4.746 -9.588 -1.877 1.00 2.00 O ATOM 461 CB LEU A 30 -2.288 -12.056 -2.764 1.00 2.00 C ATOM 462 CG LEU A 30 -0.908 -12.585 -2.277 1.00 2.00 C ATOM 463 CD1 LEU A 30 -0.166 -11.572 -1.400 1.00 2.00 C ATOM 464 CD2 LEU A 30 -0.932 -13.959 -1.582 1.00 2.00 C ATOM 0 H LEU A 30 -3.264 -13.665 -1.317 1.00 2.00 H new ATOM 0 HA LEU A 30 -3.162 -10.938 -0.971 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -2.708 -12.830 -3.406 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -2.083 -11.193 -3.398 1.00 2.00 H new ATOM 0 HG LEU A 30 -0.360 -12.728 -3.209 1.00 2.00 H new ATOM 0 HD11 LEU A 30 0.790 -11.992 -1.088 1.00 2.00 H new ATOM 0 HD12 LEU A 30 0.007 -10.658 -1.967 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -0.767 -11.344 -0.519 1.00 2.00 H new ATOM 0 HD21 LEU A 30 0.080 -14.233 -1.283 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.570 -13.909 -0.700 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.322 -14.708 -2.271 1.00 2.00 H new ATOM 476 N THR A 31 -4.976 -10.963 -3.654 1.00 2.00 N ATOM 477 CA THR A 31 -5.965 -10.153 -4.454 1.00 2.00 C ATOM 478 C THR A 31 -6.884 -9.046 -3.812 1.00 2.00 C ATOM 479 O THR A 31 -6.989 -7.951 -4.375 1.00 2.00 O ATOM 480 CB THR A 31 -6.704 -11.133 -5.426 1.00 2.00 C ATOM 481 OG1 THR A 31 -7.498 -10.413 -6.360 1.00 2.00 O ATOM 482 CG2 THR A 31 -7.631 -12.182 -4.784 1.00 2.00 C ATOM 0 H THR A 31 -4.709 -11.824 -4.132 1.00 2.00 H new ATOM 0 HA THR A 31 -5.331 -9.423 -4.957 1.00 2.00 H new ATOM 0 HB THR A 31 -5.877 -11.675 -5.884 1.00 2.00 H new ATOM 0 HG1 THR A 31 -7.950 -11.043 -6.959 1.00 2.00 H new ATOM 0 HG21 THR A 31 -8.081 -12.796 -5.564 1.00 2.00 H new ATOM 0 HG22 THR A 31 -7.053 -12.815 -4.111 1.00 2.00 H new ATOM 0 HG23 THR A 31 -8.417 -11.678 -4.222 1.00 2.00 H new ATOM 490 N ILE A 32 -7.636 -9.346 -2.742 1.00 2.00 N ATOM 491 CA ILE A 32 -8.535 -8.364 -2.052 1.00 2.00 C ATOM 492 C ILE A 32 -7.624 -7.896 -0.835 1.00 2.00 C ATOM 493 O ILE A 32 -7.474 -8.676 0.116 1.00 2.00 O ATOM 494 CB ILE A 32 -9.933 -8.991 -1.672 1.00 2.00 C ATOM 495 CG1 ILE A 32 -10.974 -9.024 -2.835 1.00 2.00 C ATOM 496 CG2 ILE A 32 -10.648 -8.255 -0.505 1.00 2.00 C ATOM 497 CD1 ILE A 32 -10.668 -9.961 -4.011 1.00 2.00 C ATOM 0 H ILE A 32 -7.649 -10.274 -2.318 1.00 2.00 H new ATOM 0 HA ILE A 32 -8.855 -7.518 -2.661 1.00 2.00 H new ATOM 0 HB ILE A 32 -9.645 -10.004 -1.392 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -11.941 -9.307 -2.418 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -11.079 -8.012 -3.226 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -11.602 -8.740 -0.299 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -10.022 -8.292 0.386 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -10.822 -7.216 -0.783 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -11.467 -9.891 -4.750 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -9.723 -9.672 -4.470 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -10.597 -10.987 -3.650 1.00 2.00 H new ATOM 509 N PRO A 33 -7.033 -6.663 -0.782 1.00 2.00 N ATOM 510 CA PRO A 33 -6.179 -6.250 0.363 1.00 2.00 C ATOM 511 C PRO A 33 -6.739 -6.068 1.807 1.00 2.00 C ATOM 512 O PRO A 33 -7.940 -6.025 2.061 1.00 2.00 O ATOM 513 CB PRO A 33 -5.575 -4.909 -0.148 1.00 2.00 C ATOM 514 CG PRO A 33 -6.217 -4.532 -1.484 1.00 2.00 C ATOM 515 CD PRO A 33 -7.155 -5.670 -1.862 1.00 2.00 C ATOM 0 HA PRO A 33 -5.521 -7.094 0.571 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -5.745 -4.120 0.584 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -4.496 -5.007 -0.266 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -6.764 -3.593 -1.398 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -5.456 -4.388 -2.251 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -8.182 -5.316 -1.954 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -6.879 -6.102 -2.824 1.00 2.00 H new ATOM 523 N VAL A 34 -5.803 -5.952 2.768 1.00 2.00 N ATOM 524 CA VAL A 34 -6.110 -5.747 4.223 1.00 2.00 C ATOM 525 C VAL A 34 -6.547 -4.221 4.328 1.00 2.00 C ATOM 526 O VAL A 34 -7.611 -3.888 4.855 1.00 2.00 O ATOM 527 CB VAL A 34 -4.888 -6.025 5.178 1.00 2.00 C ATOM 528 CG1 VAL A 34 -5.183 -5.735 6.672 1.00 2.00 C ATOM 529 CG2 VAL A 34 -4.347 -7.460 5.133 1.00 2.00 C ATOM 0 H VAL A 34 -4.803 -5.996 2.571 1.00 2.00 H new ATOM 0 HA VAL A 34 -6.878 -6.450 4.546 1.00 2.00 H new ATOM 0 HB VAL A 34 -4.146 -5.333 4.781 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -4.295 -5.950 7.267 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -5.455 -4.686 6.792 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -6.006 -6.365 7.009 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -3.508 -7.554 5.823 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -5.135 -8.155 5.423 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -4.013 -7.691 4.122 1.00 2.00 H new ATOM 539 N LYS A 35 -5.688 -3.306 3.816 1.00 2.00 N ATOM 540 CA LYS A 35 -5.899 -1.852 3.802 1.00 2.00 C ATOM 541 C LYS A 35 -5.217 -1.208 2.565 1.00 2.00 C ATOM 542 O LYS A 35 -4.000 -1.258 2.376 1.00 2.00 O ATOM 543 CB LYS A 35 -5.340 -1.156 5.081 1.00 2.00 C ATOM 544 CG LYS A 35 -6.111 -1.402 6.394 1.00 2.00 C ATOM 545 CD LYS A 35 -5.507 -0.611 7.571 1.00 2.00 C ATOM 546 CE LYS A 35 -6.263 -0.875 8.879 1.00 2.00 C ATOM 547 NZ LYS A 35 -5.650 -0.096 9.973 1.00 2.00 N ATOM 0 H LYS A 35 -4.802 -3.577 3.389 1.00 2.00 H new ATOM 0 HA LYS A 35 -6.978 -1.705 3.764 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -4.310 -1.483 5.224 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -5.311 -0.082 4.899 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -7.154 -1.116 6.262 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -6.100 -2.467 6.628 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -4.459 -0.885 7.694 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -5.533 0.455 7.345 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -7.312 -0.599 8.766 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -6.237 -1.938 9.117 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -6.164 -0.277 10.859 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -4.656 -0.379 10.086 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -5.697 0.918 9.746 1.00 2.00 H new ATOM 560 N ARG A 36 -6.005 -0.590 1.687 1.00 2.00 N ATOM 561 CA ARG A 36 -5.474 0.074 0.462 1.00 2.00 C ATOM 562 C ARG A 36 -5.162 1.542 0.999 1.00 2.00 C ATOM 563 O ARG A 36 -6.060 2.290 1.378 1.00 2.00 O ATOM 564 CB ARG A 36 -6.525 -0.274 -0.623 1.00 2.00 C ATOM 565 CG ARG A 36 -6.126 -0.001 -2.085 1.00 2.00 C ATOM 566 CD ARG A 36 -7.024 -0.640 -3.168 1.00 2.00 C ATOM 567 NE ARG A 36 -8.390 -0.051 -3.101 1.00 2.00 N ATOM 568 CZ ARG A 36 -9.274 0.016 -4.083 1.00 2.00 C ATOM 569 NH1 ARG A 36 -9.101 -0.500 -5.265 1.00 2.00 N ATOM 570 NH2 ARG A 36 -10.374 0.638 -3.844 1.00 2.00 N ATOM 0 H ARG A 36 -7.018 -0.526 1.787 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.549 -0.203 -0.044 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -6.773 -1.331 -0.530 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -7.435 0.287 -0.408 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -6.115 1.078 -2.241 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -5.106 -0.355 -2.233 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -6.594 -0.473 -4.155 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -7.075 -1.719 -3.021 1.00 2.00 H new ATOM 0 HE ARG A 36 -8.674 0.342 -2.204 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -8.237 -0.997 -5.483 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -9.829 -0.408 -5.973 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -10.536 1.054 -2.927 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -11.085 0.715 -4.571 1.00 2.00 H new ATOM 584 N GLY A 37 -3.892 1.959 1.144 1.00 2.00 N ATOM 585 CA GLY A 37 -3.556 3.324 1.660 1.00 2.00 C ATOM 586 C GLY A 37 -2.386 4.137 1.070 1.00 2.00 C ATOM 587 O GLY A 37 -2.270 4.254 -0.148 1.00 2.00 O ATOM 0 H GLY A 37 -3.079 1.386 0.917 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -4.453 3.934 1.553 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -3.365 3.222 2.728 1.00 2.00 H new ATOM 591 N CYS A 38 -1.570 4.764 1.938 1.00 2.00 N ATOM 592 CA CYS A 38 -0.402 5.588 1.514 1.00 2.00 C ATOM 593 C CYS A 38 0.969 5.206 2.141 1.00 2.00 C ATOM 594 O CYS A 38 1.063 4.909 3.336 1.00 2.00 O ATOM 595 CB CYS A 38 -0.706 7.064 1.835 1.00 2.00 C ATOM 596 SG CYS A 38 -0.937 7.437 3.612 1.00 2.00 S ATOM 0 H CYS A 38 -1.693 4.720 2.950 1.00 2.00 H new ATOM 0 HA CYS A 38 -0.284 5.398 0.447 1.00 2.00 H new ATOM 0 HB2 CYS A 38 0.109 7.679 1.453 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -1.607 7.359 1.297 1.00 2.00 H new ATOM 601 N ILE A 39 2.049 5.283 1.336 1.00 2.00 N ATOM 602 CA ILE A 39 3.433 4.947 1.791 1.00 2.00 C ATOM 603 C ILE A 39 4.575 5.456 0.835 1.00 2.00 C ATOM 604 O ILE A 39 4.329 5.899 -0.283 1.00 2.00 O ATOM 605 CB ILE A 39 3.516 3.392 1.997 1.00 2.00 C ATOM 606 CG1 ILE A 39 4.479 2.944 3.114 1.00 2.00 C ATOM 607 CG2 ILE A 39 3.772 2.594 0.680 1.00 2.00 C ATOM 608 CD1 ILE A 39 4.349 3.619 4.490 1.00 2.00 C ATOM 0 H ILE A 39 1.998 5.576 0.360 1.00 2.00 H new ATOM 0 HA ILE A 39 3.610 5.477 2.727 1.00 2.00 H new ATOM 0 HB ILE A 39 2.513 3.136 2.338 1.00 2.00 H new ATOM 0 HG12 ILE A 39 4.352 1.871 3.255 1.00 2.00 H new ATOM 0 HG13 ILE A 39 5.498 3.100 2.760 1.00 2.00 H new ATOM 0 HG21 ILE A 39 3.817 1.528 0.903 1.00 2.00 H new ATOM 0 HG22 ILE A 39 2.962 2.784 -0.024 1.00 2.00 H new ATOM 0 HG23 ILE A 39 4.717 2.912 0.240 1.00 2.00 H new ATOM 0 HD11 ILE A 39 5.091 3.202 5.171 1.00 2.00 H new ATOM 0 HD12 ILE A 39 4.514 4.691 4.386 1.00 2.00 H new ATOM 0 HD13 ILE A 39 3.350 3.443 4.889 1.00 2.00 H new ATOM 620 N ASP A 40 5.842 5.444 1.287 1.00 2.00 N ATOM 621 CA ASP A 40 7.014 5.897 0.459 1.00 2.00 C ATOM 622 C ASP A 40 7.551 4.793 -0.517 1.00 2.00 C ATOM 623 O ASP A 40 7.759 5.014 -1.709 1.00 2.00 O ATOM 624 CB ASP A 40 8.087 6.588 1.349 1.00 2.00 C ATOM 625 CG ASP A 40 8.786 5.748 2.418 1.00 2.00 C ATOM 626 OD1 ASP A 40 9.931 5.328 2.317 1.00 2.00 O ATOM 627 OD2 ASP A 40 7.995 5.520 3.500 1.00 2.00 O ATOM 0 H ASP A 40 6.098 5.127 2.222 1.00 2.00 H new ATOM 0 HA ASP A 40 6.666 6.668 -0.228 1.00 2.00 H new ATOM 0 HB2 ASP A 40 8.854 6.995 0.691 1.00 2.00 H new ATOM 0 HB3 ASP A 40 7.613 7.434 1.847 1.00 2.00 H new ATOM 633 N VAL A 41 7.803 3.629 0.063 1.00 2.00 N ATOM 634 CA VAL A 41 8.310 2.389 -0.577 1.00 2.00 C ATOM 635 C VAL A 41 7.362 1.297 0.017 1.00 2.00 C ATOM 636 O VAL A 41 6.937 1.411 1.174 1.00 2.00 O ATOM 637 CB VAL A 41 9.826 2.154 -0.238 1.00 2.00 C ATOM 638 CG1 VAL A 41 10.380 0.814 -0.779 1.00 2.00 C ATOM 639 CG2 VAL A 41 10.761 3.261 -0.782 1.00 2.00 C ATOM 0 H VAL A 41 7.653 3.500 1.064 1.00 2.00 H new ATOM 0 HA VAL A 41 8.292 2.403 -1.667 1.00 2.00 H new ATOM 0 HB VAL A 41 9.829 2.155 0.852 1.00 2.00 H new ATOM 0 HG11 VAL A 41 11.431 0.719 -0.508 1.00 2.00 H new ATOM 0 HG12 VAL A 41 9.818 -0.013 -0.346 1.00 2.00 H new ATOM 0 HG13 VAL A 41 10.282 0.791 -1.864 1.00 2.00 H new ATOM 0 HG21 VAL A 41 11.792 3.033 -0.510 1.00 2.00 H new ATOM 0 HG22 VAL A 41 10.674 3.310 -1.867 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.477 4.221 -0.352 1.00 2.00 H new ATOM 649 N CYS A 42 6.964 0.262 -0.756 1.00 2.00 N ATOM 650 CA CYS A 42 6.058 -0.860 -0.301 1.00 2.00 C ATOM 651 C CYS A 42 6.869 -1.453 0.947 1.00 2.00 C ATOM 652 O CYS A 42 7.936 -2.040 0.729 1.00 2.00 O ATOM 653 CB CYS A 42 5.866 -1.740 -1.569 1.00 2.00 C ATOM 654 SG CYS A 42 6.024 -0.775 -3.115 1.00 2.00 S ATOM 0 H CYS A 42 7.257 0.165 -1.728 1.00 2.00 H new ATOM 0 HA CYS A 42 5.045 -0.660 0.047 1.00 2.00 H new ATOM 0 HB2 CYS A 42 6.604 -2.542 -1.567 1.00 2.00 H new ATOM 0 HB3 CYS A 42 4.884 -2.211 -1.536 1.00 2.00 H new ATOM 659 N PRO A 43 6.476 -1.220 2.240 1.00 2.00 N ATOM 660 CA PRO A 43 7.209 -1.722 3.422 1.00 2.00 C ATOM 661 C PRO A 43 7.707 -3.163 3.639 1.00 2.00 C ATOM 662 O PRO A 43 7.436 -4.089 2.872 1.00 2.00 O ATOM 663 CB PRO A 43 6.328 -1.248 4.611 1.00 2.00 C ATOM 664 CG PRO A 43 5.467 -0.134 4.070 1.00 2.00 C ATOM 665 CD PRO A 43 5.228 -0.536 2.622 1.00 2.00 C ATOM 0 HA PRO A 43 8.214 -1.326 3.277 1.00 2.00 H new ATOM 0 HB2 PRO A 43 5.715 -2.065 4.993 1.00 2.00 H new ATOM 0 HB3 PRO A 43 6.945 -0.898 5.439 1.00 2.00 H new ATOM 0 HG2 PRO A 43 4.531 -0.047 4.622 1.00 2.00 H new ATOM 0 HG3 PRO A 43 5.969 0.831 4.140 1.00 2.00 H new ATOM 0 HD2 PRO A 43 4.365 -1.195 2.526 1.00 2.00 H new ATOM 0 HD3 PRO A 43 5.038 0.332 1.991 1.00 2.00 H new ATOM 673 N LYS A 44 8.454 -3.298 4.756 1.00 2.00 N ATOM 674 CA LYS A 44 9.048 -4.577 5.203 1.00 2.00 C ATOM 675 C LYS A 44 7.855 -5.441 5.740 1.00 2.00 C ATOM 676 O LYS A 44 7.440 -5.382 6.903 1.00 2.00 O ATOM 677 CB LYS A 44 10.129 -4.315 6.287 1.00 2.00 C ATOM 678 CG LYS A 44 11.488 -3.796 5.765 1.00 2.00 C ATOM 679 CD LYS A 44 12.478 -3.516 6.920 1.00 2.00 C ATOM 680 CE LYS A 44 13.898 -3.124 6.477 1.00 2.00 C ATOM 681 NZ LYS A 44 13.932 -1.773 5.877 1.00 2.00 N ATOM 0 H LYS A 44 8.663 -2.517 5.378 1.00 2.00 H new ATOM 0 HA LYS A 44 9.558 -5.104 4.396 1.00 2.00 H new ATOM 0 HB2 LYS A 44 9.734 -3.592 7.000 1.00 2.00 H new ATOM 0 HB3 LYS A 44 10.301 -5.242 6.835 1.00 2.00 H new ATOM 0 HG2 LYS A 44 11.921 -4.530 5.085 1.00 2.00 H new ATOM 0 HG3 LYS A 44 11.332 -2.883 5.191 1.00 2.00 H new ATOM 0 HD2 LYS A 44 12.073 -2.716 7.540 1.00 2.00 H new ATOM 0 HD3 LYS A 44 12.542 -4.405 7.548 1.00 2.00 H new ATOM 0 HE2 LYS A 44 14.569 -3.158 7.335 1.00 2.00 H new ATOM 0 HE3 LYS A 44 14.268 -3.852 5.755 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 14.905 -1.545 5.591 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 13.311 -1.748 5.043 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 13.603 -1.075 6.574 1.00 2.00 H new ATOM 694 N ASN A 45 7.266 -6.194 4.810 1.00 2.00 N ATOM 695 CA ASN A 45 6.122 -7.082 5.067 1.00 2.00 C ATOM 696 C ASN A 45 6.350 -8.282 6.048 1.00 2.00 C ATOM 697 O ASN A 45 7.466 -8.767 6.249 1.00 2.00 O ATOM 698 CB ASN A 45 5.592 -7.505 3.666 1.00 2.00 C ATOM 699 CG ASN A 45 6.435 -8.459 2.812 1.00 2.00 C ATOM 700 OD1 ASN A 45 7.342 -8.049 2.101 1.00 2.00 O ATOM 701 ND2 ASN A 45 6.143 -9.733 2.807 1.00 2.00 N ATOM 0 H ASN A 45 7.573 -6.207 3.838 1.00 2.00 H new ATOM 0 HA ASN A 45 5.378 -6.528 5.640 1.00 2.00 H new ATOM 0 HB2 ASN A 45 4.615 -7.967 3.809 1.00 2.00 H new ATOM 0 HB3 ASN A 45 5.433 -6.596 3.086 1.00 2.00 H new ATOM 0 HD21 ASN A 45 6.670 -10.375 2.214 1.00 2.00 H new ATOM 0 HD22 ASN A 45 5.389 -10.086 3.396 1.00 2.00 H new ATOM 708 N SER A 46 5.253 -8.733 6.670 1.00 2.00 N ATOM 709 CA SER A 46 5.275 -9.862 7.634 1.00 2.00 C ATOM 710 C SER A 46 4.320 -11.033 7.253 1.00 2.00 C ATOM 711 O SER A 46 3.748 -11.049 6.159 1.00 2.00 O ATOM 712 CB SER A 46 5.065 -9.223 9.035 1.00 2.00 C ATOM 713 OG SER A 46 5.243 -10.181 10.084 1.00 2.00 O ATOM 0 H SER A 46 4.325 -8.334 6.526 1.00 2.00 H new ATOM 0 HA SER A 46 6.230 -10.388 7.624 1.00 2.00 H new ATOM 0 HB2 SER A 46 5.768 -8.401 9.169 1.00 2.00 H new ATOM 0 HB3 SER A 46 4.063 -8.799 9.095 1.00 2.00 H new ATOM 0 HG SER A 46 5.106 -9.746 10.951 1.00 2.00 H new ATOM 719 N LEU A 47 4.150 -12.052 8.124 1.00 2.00 N ATOM 720 CA LEU A 47 3.238 -13.218 7.835 1.00 2.00 C ATOM 721 C LEU A 47 1.723 -12.865 7.514 1.00 2.00 C ATOM 722 O LEU A 47 0.962 -13.693 7.009 1.00 2.00 O ATOM 723 CB LEU A 47 3.483 -14.394 8.827 1.00 2.00 C ATOM 724 CG LEU A 47 3.509 -14.154 10.360 1.00 2.00 C ATOM 725 CD1 LEU A 47 2.190 -13.594 10.904 1.00 2.00 C ATOM 726 CD2 LEU A 47 3.842 -15.467 11.087 1.00 2.00 C ATOM 0 H LEU A 47 4.620 -12.106 9.028 1.00 2.00 H new ATOM 0 HA LEU A 47 3.538 -13.594 6.857 1.00 2.00 H new ATOM 0 HB2 LEU A 47 2.713 -15.141 8.634 1.00 2.00 H new ATOM 0 HB3 LEU A 47 4.438 -14.845 8.558 1.00 2.00 H new ATOM 0 HG LEU A 47 4.278 -13.405 10.546 1.00 2.00 H new ATOM 0 HD11 LEU A 47 2.273 -13.449 11.981 1.00 2.00 H new ATOM 0 HD12 LEU A 47 1.975 -12.639 10.424 1.00 2.00 H new ATOM 0 HD13 LEU A 47 1.383 -14.296 10.694 1.00 2.00 H new ATOM 0 HD21 LEU A 47 3.859 -15.293 12.163 1.00 2.00 H new ATOM 0 HD22 LEU A 47 3.085 -16.215 10.852 1.00 2.00 H new ATOM 0 HD23 LEU A 47 4.819 -15.825 10.762 1.00 2.00 H new ATOM 738 N LEU A 48 1.308 -11.630 7.835 1.00 2.00 N ATOM 739 CA LEU A 48 -0.053 -11.081 7.610 1.00 2.00 C ATOM 740 C LEU A 48 -0.101 -10.123 6.344 1.00 2.00 C ATOM 741 O LEU A 48 -1.190 -9.648 6.007 1.00 2.00 O ATOM 742 CB LEU A 48 -0.493 -10.268 8.867 1.00 2.00 C ATOM 743 CG LEU A 48 -0.792 -11.025 10.185 1.00 2.00 C ATOM 744 CD1 LEU A 48 -1.064 -10.017 11.313 1.00 2.00 C ATOM 745 CD2 LEU A 48 -1.988 -11.981 10.066 1.00 2.00 C ATOM 0 H LEU A 48 1.931 -10.953 8.277 1.00 2.00 H new ATOM 0 HA LEU A 48 -0.725 -11.920 7.432 1.00 2.00 H new ATOM 0 HB2 LEU A 48 0.289 -9.538 9.077 1.00 2.00 H new ATOM 0 HB3 LEU A 48 -1.389 -9.707 8.599 1.00 2.00 H new ATOM 0 HG LEU A 48 0.088 -11.627 10.409 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -1.274 -10.554 12.238 1.00 2.00 H new ATOM 0 HD12 LEU A 48 -0.189 -9.382 11.452 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -1.922 -9.399 11.050 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -2.149 -12.483 11.020 1.00 2.00 H new ATOM 0 HD22 LEU A 48 -2.881 -11.416 9.798 1.00 2.00 H new ATOM 0 HD23 LEU A 48 -1.784 -12.724 9.295 1.00 2.00 H new ATOM 757 N VAL A 49 1.016 -9.835 5.623 1.00 2.00 N ATOM 758 CA VAL A 49 1.039 -8.933 4.428 1.00 2.00 C ATOM 759 C VAL A 49 2.185 -9.171 3.362 1.00 2.00 C ATOM 760 O VAL A 49 3.205 -9.822 3.584 1.00 2.00 O ATOM 761 CB VAL A 49 1.041 -7.460 5.027 1.00 2.00 C ATOM 762 CG1 VAL A 49 2.245 -7.066 5.919 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.894 -6.322 4.003 1.00 2.00 C ATOM 0 H VAL A 49 1.932 -10.221 5.852 1.00 2.00 H new ATOM 0 HA VAL A 49 0.166 -9.147 3.811 1.00 2.00 H new ATOM 0 HB VAL A 49 0.145 -7.549 5.642 1.00 2.00 H new ATOM 0 HG11 VAL A 49 2.123 -6.039 6.262 1.00 2.00 H new ATOM 0 HG12 VAL A 49 2.293 -7.733 6.780 1.00 2.00 H new ATOM 0 HG13 VAL A 49 3.167 -7.149 5.343 1.00 2.00 H new ATOM 0 HG21 VAL A 49 0.908 -5.363 4.521 1.00 2.00 H new ATOM 0 HG22 VAL A 49 1.720 -6.363 3.292 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.050 -6.432 3.469 1.00 2.00 H new ATOM 773 N LYS A 50 1.971 -8.555 2.194 1.00 2.00 N ATOM 774 CA LYS A 50 2.832 -8.545 0.978 1.00 2.00 C ATOM 775 C LYS A 50 2.284 -7.250 0.274 1.00 2.00 C ATOM 776 O LYS A 50 1.308 -7.285 -0.474 1.00 2.00 O ATOM 777 CB LYS A 50 2.767 -9.846 0.144 1.00 2.00 C ATOM 778 CG LYS A 50 3.621 -9.778 -1.148 1.00 2.00 C ATOM 779 CD LYS A 50 3.676 -11.099 -1.943 1.00 2.00 C ATOM 780 CE LYS A 50 4.363 -10.986 -3.318 1.00 2.00 C ATOM 781 NZ LYS A 50 5.820 -10.771 -3.201 1.00 2.00 N ATOM 0 H LYS A 50 1.126 -8.002 2.050 1.00 2.00 H new ATOM 0 HA LYS A 50 3.905 -8.518 1.167 1.00 2.00 H new ATOM 0 HB2 LYS A 50 3.109 -10.681 0.756 1.00 2.00 H new ATOM 0 HB3 LYS A 50 1.730 -10.049 -0.122 1.00 2.00 H new ATOM 0 HG2 LYS A 50 3.221 -8.996 -1.793 1.00 2.00 H new ATOM 0 HG3 LYS A 50 4.637 -9.484 -0.883 1.00 2.00 H new ATOM 0 HD2 LYS A 50 4.202 -11.846 -1.348 1.00 2.00 H new ATOM 0 HD3 LYS A 50 2.659 -11.465 -2.087 1.00 2.00 H new ATOM 0 HE2 LYS A 50 4.177 -11.895 -3.890 1.00 2.00 H new ATOM 0 HE3 LYS A 50 3.920 -10.161 -3.876 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 6.238 -10.701 -4.151 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 6.000 -9.890 -2.678 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 6.249 -11.570 -2.692 1.00 2.00 H new ATOM 794 N TYR A 51 2.900 -6.083 0.498 1.00 2.00 N ATOM 795 CA TYR A 51 2.448 -4.799 -0.110 1.00 2.00 C ATOM 796 C TYR A 51 2.659 -4.499 -1.635 1.00 2.00 C ATOM 797 O TYR A 51 3.777 -4.506 -2.156 1.00 2.00 O ATOM 798 CB TYR A 51 3.174 -3.647 0.663 1.00 2.00 C ATOM 799 CG TYR A 51 2.990 -3.525 2.186 1.00 2.00 C ATOM 800 CD1 TYR A 51 1.934 -2.788 2.727 1.00 2.00 C ATOM 801 CD2 TYR A 51 3.955 -4.068 3.040 1.00 2.00 C ATOM 802 CE1 TYR A 51 1.852 -2.595 4.106 1.00 2.00 C ATOM 803 CE2 TYR A 51 3.848 -3.905 4.419 1.00 2.00 C ATOM 804 CZ TYR A 51 2.802 -3.160 4.950 1.00 2.00 C ATOM 805 OH TYR A 51 2.718 -2.961 6.300 1.00 2.00 O ATOM 0 H TYR A 51 3.719 -5.988 1.098 1.00 2.00 H new ATOM 0 HA TYR A 51 1.364 -4.878 -0.025 1.00 2.00 H new ATOM 0 HB2 TYR A 51 4.242 -3.746 0.470 1.00 2.00 H new ATOM 0 HB3 TYR A 51 2.856 -2.704 0.219 1.00 2.00 H new ATOM 0 HD1 TYR A 51 1.181 -2.367 2.077 1.00 2.00 H new ATOM 0 HD2 TYR A 51 4.788 -4.617 2.628 1.00 2.00 H new ATOM 0 HE1 TYR A 51 1.048 -2.005 4.520 1.00 2.00 H new ATOM 0 HE2 TYR A 51 4.577 -4.357 5.075 1.00 2.00 H new ATOM 0 HH TYR A 51 3.458 -3.424 6.746 1.00 2.00 H new ATOM 815 N VAL A 52 1.554 -4.195 -2.329 1.00 2.00 N ATOM 816 CA VAL A 52 1.533 -3.856 -3.792 1.00 2.00 C ATOM 817 C VAL A 52 1.454 -2.273 -3.785 1.00 2.00 C ATOM 818 O VAL A 52 0.985 -1.653 -2.821 1.00 2.00 O ATOM 819 CB VAL A 52 0.490 -4.714 -4.580 1.00 2.00 C ATOM 820 CG1 VAL A 52 0.302 -4.279 -6.050 1.00 2.00 C ATOM 821 CG2 VAL A 52 0.927 -6.199 -4.621 1.00 2.00 C ATOM 0 H VAL A 52 0.628 -4.172 -1.901 1.00 2.00 H new ATOM 0 HA VAL A 52 2.406 -4.135 -4.382 1.00 2.00 H new ATOM 0 HB VAL A 52 -0.447 -4.568 -4.043 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -0.437 -4.922 -6.528 1.00 2.00 H new ATOM 0 HG12 VAL A 52 -0.042 -3.245 -6.082 1.00 2.00 H new ATOM 0 HG13 VAL A 52 1.252 -4.362 -6.578 1.00 2.00 H new ATOM 0 HG21 VAL A 52 0.189 -6.780 -5.173 1.00 2.00 H new ATOM 0 HG22 VAL A 52 1.896 -6.280 -5.114 1.00 2.00 H new ATOM 0 HG23 VAL A 52 1.005 -6.584 -3.604 1.00 2.00 H new ATOM 831 N CYS A 53 1.871 -1.550 -4.841 1.00 2.00 N ATOM 832 CA CYS A 53 1.822 -0.051 -4.840 1.00 2.00 C ATOM 833 C CYS A 53 1.975 0.724 -6.196 1.00 2.00 C ATOM 834 O CYS A 53 2.492 0.188 -7.178 1.00 2.00 O ATOM 835 CB CYS A 53 3.117 0.253 -3.998 1.00 2.00 C ATOM 836 SG CYS A 53 4.483 -0.913 -4.377 1.00 2.00 S ATOM 0 H CYS A 53 2.242 -1.958 -5.699 1.00 2.00 H new ATOM 0 HA CYS A 53 0.838 0.272 -4.499 1.00 2.00 H new ATOM 0 HB2 CYS A 53 3.447 1.273 -4.198 1.00 2.00 H new ATOM 0 HB3 CYS A 53 2.879 0.197 -2.936 1.00 2.00 H new ATOM 841 N CYS A 54 1.533 2.007 -6.228 1.00 2.00 N ATOM 842 CA CYS A 54 1.619 2.879 -7.439 1.00 2.00 C ATOM 843 C CYS A 54 1.710 4.413 -7.056 1.00 2.00 C ATOM 844 O CYS A 54 0.831 4.996 -6.423 1.00 2.00 O ATOM 845 CB CYS A 54 0.682 2.488 -8.600 1.00 2.00 C ATOM 846 SG CYS A 54 -1.068 2.698 -8.285 1.00 2.00 S ATOM 0 H CYS A 54 1.109 2.468 -5.423 1.00 2.00 H new ATOM 0 HA CYS A 54 2.579 2.671 -7.912 1.00 2.00 H new ATOM 0 HB2 CYS A 54 0.949 3.081 -9.475 1.00 2.00 H new ATOM 0 HB3 CYS A 54 0.864 1.444 -8.855 1.00 2.00 H new ATOM 851 N ASN A 55 2.817 5.036 -7.477 1.00 2.00 N ATOM 852 CA ASN A 55 3.235 6.468 -7.288 1.00 2.00 C ATOM 853 C ASN A 55 2.358 7.776 -7.226 1.00 2.00 C ATOM 854 O ASN A 55 2.952 8.812 -6.907 1.00 2.00 O ATOM 855 CB ASN A 55 4.326 6.694 -8.395 1.00 2.00 C ATOM 856 CG ASN A 55 5.553 5.769 -8.439 1.00 2.00 C ATOM 857 OD1 ASN A 55 5.501 4.671 -8.979 1.00 2.00 O ATOM 858 ND2 ASN A 55 6.664 6.142 -7.865 1.00 2.00 N ATOM 0 H ASN A 55 3.520 4.522 -8.009 1.00 2.00 H new ATOM 0 HA ASN A 55 3.425 6.439 -6.215 1.00 2.00 H new ATOM 0 HB2 ASN A 55 3.830 6.627 -9.363 1.00 2.00 H new ATOM 0 HB3 ASN A 55 4.690 7.717 -8.293 1.00 2.00 H new ATOM 0 HD21 ASN A 55 7.474 5.522 -7.870 1.00 2.00 H new ATOM 0 HD22 ASN A 55 6.723 7.054 -7.411 1.00 2.00 H new ATOM 865 N THR A 56 1.049 7.837 -7.519 1.00 2.00 N ATOM 866 CA THR A 56 0.271 9.132 -7.441 1.00 2.00 C ATOM 867 C THR A 56 -1.079 9.067 -6.652 1.00 2.00 C ATOM 868 O THR A 56 -1.636 7.994 -6.424 1.00 2.00 O ATOM 869 CB THR A 56 0.146 9.732 -8.882 1.00 2.00 C ATOM 870 OG1 THR A 56 -0.299 11.081 -8.809 1.00 2.00 O ATOM 871 CG2 THR A 56 -0.808 9.018 -9.855 1.00 2.00 C ATOM 0 H THR A 56 0.495 7.032 -7.810 1.00 2.00 H new ATOM 0 HA THR A 56 0.843 9.819 -6.817 1.00 2.00 H new ATOM 0 HB THR A 56 1.153 9.613 -9.282 1.00 2.00 H new ATOM 0 HG1 THR A 56 -0.373 11.450 -9.714 1.00 2.00 H new ATOM 0 HG21 THR A 56 -0.801 9.534 -10.815 1.00 2.00 H new ATOM 0 HG22 THR A 56 -0.481 7.987 -9.994 1.00 2.00 H new ATOM 0 HG23 THR A 56 -1.818 9.026 -9.446 1.00 2.00 H new ATOM 879 N ASP A 57 -1.614 10.234 -6.224 1.00 2.00 N ATOM 880 CA ASP A 57 -2.893 10.352 -5.455 1.00 2.00 C ATOM 881 C ASP A 57 -4.095 9.550 -6.054 1.00 2.00 C ATOM 882 O ASP A 57 -4.524 9.807 -7.181 1.00 2.00 O ATOM 883 CB ASP A 57 -3.286 11.851 -5.350 1.00 2.00 C ATOM 884 CG ASP A 57 -2.392 12.758 -4.509 1.00 2.00 C ATOM 885 OD1 ASP A 57 -1.360 13.273 -4.918 1.00 2.00 O ATOM 886 OD2 ASP A 57 -2.881 12.967 -3.259 1.00 2.00 O ATOM 0 H ASP A 57 -1.171 11.136 -6.401 1.00 2.00 H new ATOM 0 HA ASP A 57 -2.696 9.912 -4.478 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -3.325 12.260 -6.360 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -4.296 11.906 -4.945 1.00 2.00 H new ATOM 892 N ARG A 58 -4.661 8.618 -5.266 1.00 2.00 N ATOM 893 CA ARG A 58 -5.818 7.765 -5.701 1.00 2.00 C ATOM 894 C ARG A 58 -5.489 6.667 -6.787 1.00 2.00 C ATOM 895 O ARG A 58 -6.415 6.025 -7.291 1.00 2.00 O ATOM 896 CB ARG A 58 -7.100 8.602 -6.010 1.00 2.00 C ATOM 897 CG ARG A 58 -7.707 9.409 -4.831 1.00 2.00 C ATOM 898 CD ARG A 58 -8.924 10.242 -5.281 1.00 2.00 C ATOM 899 NE ARG A 58 -9.822 10.494 -4.121 1.00 2.00 N ATOM 900 CZ ARG A 58 -11.078 10.911 -4.195 1.00 2.00 C ATOM 901 NH1 ARG A 58 -11.631 11.350 -5.290 1.00 2.00 N ATOM 902 NH2 ARG A 58 -11.796 10.879 -3.125 1.00 2.00 N ATOM 0 H ARG A 58 -4.344 8.424 -4.316 1.00 2.00 H new ATOM 0 HA ARG A 58 -6.051 7.163 -4.823 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -6.865 9.299 -6.814 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.866 7.925 -6.388 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -8.007 8.725 -4.037 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -6.948 10.070 -4.412 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -8.591 11.189 -5.706 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -9.467 9.714 -6.065 1.00 2.00 H new ATOM 0 HE ARG A 58 -9.438 10.332 -3.190 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -11.091 11.386 -6.155 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -12.604 11.657 -5.282 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -11.394 10.539 -2.251 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -12.766 11.194 -3.152 1.00 2.00 H new ATOM 916 N CYS A 59 -4.207 6.398 -7.124 1.00 2.00 N ATOM 917 CA CYS A 59 -3.815 5.373 -8.136 1.00 2.00 C ATOM 918 C CYS A 59 -4.233 3.893 -7.803 1.00 2.00 C ATOM 919 O CYS A 59 -4.509 3.093 -8.702 1.00 2.00 O ATOM 920 CB CYS A 59 -2.295 5.529 -8.347 1.00 2.00 C ATOM 921 SG CYS A 59 -1.732 4.202 -9.425 1.00 2.00 S ATOM 0 H CYS A 59 -3.411 6.881 -6.707 1.00 2.00 H new ATOM 0 HA CYS A 59 -4.372 5.559 -9.054 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -2.071 6.499 -8.791 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -1.773 5.488 -7.391 1.00 2.00 H new ATOM 926 N ASN A 60 -4.274 3.516 -6.516 1.00 2.00 N ATOM 927 CA ASN A 60 -4.653 2.159 -6.056 1.00 2.00 C ATOM 928 C ASN A 60 -6.170 1.841 -6.284 1.00 2.00 C ATOM 929 O ASN A 60 -7.018 1.803 -5.394 1.00 2.00 O ATOM 930 CB ASN A 60 -4.169 1.990 -4.591 1.00 2.00 C ATOM 931 CG ASN A 60 -4.686 2.951 -3.508 1.00 2.00 C ATOM 932 OD1 ASN A 60 -5.543 3.800 -3.713 1.00 2.00 O ATOM 933 ND2 ASN A 60 -4.157 2.871 -2.319 1.00 2.00 N ATOM 934 OXT ASN A 60 -6.461 1.598 -7.599 1.00 0.00 O ATOM 0 H ASN A 60 -4.043 4.149 -5.750 1.00 2.00 H new ATOM 0 HA ASN A 60 -4.153 1.406 -6.665 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.423 0.977 -4.278 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -3.081 2.058 -4.596 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.459 3.509 -1.582 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.441 2.171 -2.125 1.00 2.00 H new