USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 683 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 55 ASN : amide:sc= 1.64 K(o=1.8,f=-9.9!) USER MOD Set 1.2: A 58 THR OG1 : rot 180:sc= 0.0275 USER MOD Set 1.3: A 62 TYR OH : rot 30:sc= 0.135 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 1.53 (180deg=-0.403) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 161:sc= -0.106 (180deg=-0.717) USER MOD Single : A 7 SER OG : rot -149:sc= 1.26 USER MOD Single : A 8 CYS SG : rot 180:sc= -1.94! USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 11 TYR OH : rot 62:sc= 1.17 USER MOD Single : A 12 LYS NZ :NH3+ 153:sc= 1.05 (180deg=0.3) USER MOD Single : A 14 SER OG : rot 42:sc= -0.649 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0712 USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 0.867 (180deg=0.573) USER MOD Single : A 18 ASN : amide:sc=-0.00485 K(o=-0.0048,f=-1) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 41:sc= 0.0673 USER MOD Single : A 28 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-2.2!) USER MOD Single : A 30 SER OG : rot 180:sc=0.000258 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -162:sc= 1.41 (180deg=1.08) USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00454) USER MOD Single : A 37 GLN : amide:sc= 0.537 K(o=0.54,f=-0.89) USER MOD Single : A 39 MET CE :methyl -130:sc= -0.659 (180deg=-0.816) USER MOD Single : A 43 LYS NZ :NH3+ -173:sc= 1 (180deg=0.961) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 50:sc= 1.27 USER MOD Single : A 52 GLN : amide:sc= 0.021 K(o=0.021,f=-8.2!) USER MOD Single : A 54 THR OG1 : rot -130:sc= -0.473 USER MOD Single : A 57 GLN : amide:sc= -0.0619 K(o=-0.062,f=-0.63) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.316 F(o=-2.4!,f=-0.32) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.14) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot -178:sc= -1.51! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 136:sc= -0.0661 (180deg=-0.454) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.935 9.823 -3.857 1.00 0.00 N ATOM 2 CA GLY A 1 -17.553 10.898 -3.088 1.00 0.00 C ATOM 3 C GLY A 1 -17.791 10.454 -1.677 1.00 0.00 C ATOM 4 O GLY A 1 -17.510 9.302 -1.359 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.020 10.146 -4.231 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.786 8.998 -3.242 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.558 9.558 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.909 11.778 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.497 11.189 -3.549 1.00 0.00 H new ATOM 10 N PRO A 2 -18.279 11.341 -0.789 1.00 0.00 N ATOM 11 CA PRO A 2 -18.575 10.990 0.607 1.00 0.00 C ATOM 12 C PRO A 2 -19.693 9.950 0.720 1.00 0.00 C ATOM 13 O PRO A 2 -19.706 9.128 1.647 1.00 0.00 O ATOM 14 CB PRO A 2 -19.015 12.316 1.237 1.00 0.00 C ATOM 15 CG PRO A 2 -19.406 13.180 0.086 1.00 0.00 C ATOM 16 CD PRO A 2 -18.535 12.768 -1.057 1.00 0.00 C ATOM 0 HA PRO A 2 -17.712 10.541 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -19.850 12.169 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -18.206 12.767 1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -20.460 13.048 -0.160 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -19.264 14.234 0.324 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -19.033 12.915 -2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.610 13.344 -1.087 1.00 0.00 H new ATOM 24 N LEU A 3 -20.620 9.994 -0.213 1.00 0.00 N ATOM 25 CA LEU A 3 -21.710 9.052 -0.246 1.00 0.00 C ATOM 26 C LEU A 3 -21.386 7.960 -1.232 1.00 0.00 C ATOM 27 O LEU A 3 -20.506 8.126 -2.098 1.00 0.00 O ATOM 28 CB LEU A 3 -23.019 9.731 -0.657 1.00 0.00 C ATOM 29 CG LEU A 3 -23.516 10.873 0.223 1.00 0.00 C ATOM 30 CD1 LEU A 3 -24.805 11.438 -0.349 1.00 0.00 C ATOM 31 CD2 LEU A 3 -23.730 10.400 1.656 1.00 0.00 C ATOM 0 H LEU A 3 -20.636 10.682 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 3 -21.839 8.638 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -22.898 10.113 -1.671 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -23.798 8.969 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 3 -22.759 11.657 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -25.157 12.254 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -24.623 11.812 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -25.562 10.654 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -24.084 11.232 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -24.470 9.600 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -22.788 10.029 2.061 1.00 0.00 H new ATOM 43 N GLY A 4 -22.086 6.868 -1.124 1.00 0.00 N ATOM 44 CA GLY A 4 -21.860 5.775 -2.001 1.00 0.00 C ATOM 45 C GLY A 4 -20.939 4.763 -1.389 1.00 0.00 C ATOM 46 O GLY A 4 -20.066 5.103 -0.583 1.00 0.00 O ATOM 0 H GLY A 4 -22.820 6.718 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.811 5.302 -2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.433 6.139 -2.936 1.00 0.00 H new ATOM 50 N SER A 5 -21.142 3.530 -1.721 1.00 0.00 N ATOM 51 CA SER A 5 -20.300 2.484 -1.246 1.00 0.00 C ATOM 52 C SER A 5 -19.153 2.312 -2.227 1.00 0.00 C ATOM 53 O SER A 5 -19.328 1.771 -3.326 1.00 0.00 O ATOM 54 CB SER A 5 -21.116 1.213 -1.095 1.00 0.00 C ATOM 55 OG SER A 5 -22.273 1.479 -0.299 1.00 0.00 O ATOM 0 H SER A 5 -21.899 3.220 -2.331 1.00 0.00 H new ATOM 0 HA SER A 5 -19.884 2.724 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.414 0.841 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.512 0.434 -0.629 1.00 0.00 H new ATOM 0 HG SER A 5 -22.800 0.658 -0.203 1.00 0.00 H new ATOM 61 N MET A 6 -18.012 2.834 -1.858 1.00 0.00 N ATOM 62 CA MET A 6 -16.847 2.839 -2.716 1.00 0.00 C ATOM 63 C MET A 6 -15.895 1.723 -2.346 1.00 0.00 C ATOM 64 O MET A 6 -16.218 0.855 -1.530 1.00 0.00 O ATOM 65 CB MET A 6 -16.128 4.190 -2.620 1.00 0.00 C ATOM 66 CG MET A 6 -16.941 5.367 -3.117 1.00 0.00 C ATOM 67 SD MET A 6 -16.058 6.938 -2.990 1.00 0.00 S ATOM 68 CE MET A 6 -14.644 6.624 -4.037 1.00 0.00 C ATOM 0 H MET A 6 -17.860 3.271 -0.949 1.00 0.00 H new ATOM 0 HA MET A 6 -17.181 2.680 -3.741 1.00 0.00 H new ATOM 0 HB2 MET A 6 -15.851 4.368 -1.581 1.00 0.00 H new ATOM 0 HB3 MET A 6 -15.202 4.136 -3.192 1.00 0.00 H new ATOM 0 HG2 MET A 6 -17.220 5.196 -4.157 1.00 0.00 H new ATOM 0 HG3 MET A 6 -17.867 5.430 -2.545 1.00 0.00 H new ATOM 0 HE1 MET A 6 -14.193 7.571 -4.333 1.00 0.00 H new ATOM 0 HE2 MET A 6 -13.912 6.028 -3.491 1.00 0.00 H new ATOM 0 HE3 MET A 6 -14.963 6.081 -4.927 1.00 0.00 H new ATOM 78 N SER A 7 -14.735 1.741 -2.929 1.00 0.00 N ATOM 79 CA SER A 7 -13.742 0.773 -2.664 1.00 0.00 C ATOM 80 C SER A 7 -12.572 1.491 -2.065 1.00 0.00 C ATOM 81 O SER A 7 -11.924 2.318 -2.725 1.00 0.00 O ATOM 82 CB SER A 7 -13.358 0.064 -3.945 1.00 0.00 C ATOM 83 OG SER A 7 -14.500 -0.526 -4.559 1.00 0.00 O ATOM 0 H SER A 7 -14.458 2.446 -3.612 1.00 0.00 H new ATOM 0 HA SER A 7 -14.104 0.013 -1.972 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.895 0.772 -4.633 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.616 -0.705 -3.732 1.00 0.00 H new ATOM 0 HG SER A 7 -14.230 -1.335 -5.042 1.00 0.00 H new ATOM 89 N CYS A 8 -12.327 1.219 -0.826 1.00 0.00 N ATOM 90 CA CYS A 8 -11.327 1.916 -0.092 1.00 0.00 C ATOM 91 C CYS A 8 -10.574 0.940 0.781 1.00 0.00 C ATOM 92 O CYS A 8 -11.185 0.089 1.416 1.00 0.00 O ATOM 93 CB CYS A 8 -12.006 2.982 0.779 1.00 0.00 C ATOM 94 SG CYS A 8 -13.019 4.183 -0.125 1.00 0.00 S ATOM 0 H CYS A 8 -12.819 0.502 -0.292 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.625 2.395 -0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.635 2.481 1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.237 3.522 1.331 1.00 0.00 H new ATOM 0 HG CYS A 8 -13.541 5.029 0.713 1.00 0.00 H new ATOM 100 N VAL A 9 -9.272 1.056 0.797 1.00 0.00 N ATOM 101 CA VAL A 9 -8.435 0.219 1.641 1.00 0.00 C ATOM 102 C VAL A 9 -7.923 1.067 2.778 1.00 0.00 C ATOM 103 O VAL A 9 -7.460 2.196 2.550 1.00 0.00 O ATOM 104 CB VAL A 9 -7.194 -0.358 0.872 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.238 -1.072 1.818 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.608 -1.314 -0.224 1.00 0.00 C ATOM 0 H VAL A 9 -8.756 1.729 0.230 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.039 -0.620 1.986 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.686 0.495 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.390 -1.460 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.882 -0.371 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.757 -1.897 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.721 -1.691 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.160 -2.148 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.243 -0.793 -0.941 1.00 0.00 H new ATOM 116 N HIS A 10 -8.034 0.554 3.984 1.00 0.00 N ATOM 117 CA HIS A 10 -7.512 1.223 5.140 1.00 0.00 C ATOM 118 C HIS A 10 -6.087 0.808 5.322 1.00 0.00 C ATOM 119 O HIS A 10 -5.799 -0.360 5.552 1.00 0.00 O ATOM 120 CB HIS A 10 -8.323 0.894 6.403 1.00 0.00 C ATOM 121 CG HIS A 10 -9.676 1.532 6.462 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.990 2.561 7.318 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.816 1.256 5.774 1.00 0.00 C ATOM 124 CE1 HIS A 10 -11.274 2.878 7.138 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.828 2.112 6.207 1.00 0.00 N ATOM 0 H HIS A 10 -8.489 -0.337 4.183 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.581 2.300 4.985 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.443 -0.187 6.470 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.751 1.206 7.277 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.921 0.496 5.014 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.793 3.655 7.679 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.793 2.143 5.877 1.00 0.00 H new ATOM 133 N TYR A 11 -5.202 1.732 5.189 1.00 0.00 N ATOM 134 CA TYR A 11 -3.809 1.441 5.310 1.00 0.00 C ATOM 135 C TYR A 11 -3.191 2.428 6.266 1.00 0.00 C ATOM 136 O TYR A 11 -3.453 3.616 6.164 1.00 0.00 O ATOM 137 CB TYR A 11 -3.111 1.512 3.915 1.00 0.00 C ATOM 138 CG TYR A 11 -3.028 2.909 3.282 1.00 0.00 C ATOM 139 CD1 TYR A 11 -4.073 3.425 2.538 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.892 3.707 3.451 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.995 4.690 1.986 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.809 4.966 2.897 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.864 5.454 2.168 1.00 0.00 C ATOM 144 OH TYR A 11 -2.797 6.722 1.630 1.00 0.00 O ATOM 0 H TYR A 11 -5.418 2.710 4.994 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.677 0.430 5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.100 1.118 4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.644 0.853 3.229 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.962 2.832 2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.062 3.328 4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.822 5.080 1.411 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.920 5.564 3.036 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.499 7.281 2.022 1.00 0.00 H new ATOM 154 N LYS A 12 -2.437 1.986 7.228 1.00 0.00 N ATOM 155 CA LYS A 12 -1.767 2.967 8.022 1.00 0.00 C ATOM 156 C LYS A 12 -0.312 2.893 7.688 1.00 0.00 C ATOM 157 O LYS A 12 0.220 1.810 7.479 1.00 0.00 O ATOM 158 CB LYS A 12 -2.007 2.837 9.546 1.00 0.00 C ATOM 159 CG LYS A 12 -1.031 1.958 10.297 1.00 0.00 C ATOM 160 CD LYS A 12 -1.217 2.096 11.792 1.00 0.00 C ATOM 161 CE LYS A 12 -0.032 1.528 12.545 1.00 0.00 C ATOM 162 NZ LYS A 12 1.234 2.240 12.204 1.00 0.00 N ATOM 0 H LYS A 12 -2.276 1.009 7.473 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.184 3.944 7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.979 3.834 9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.013 2.447 9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.173 0.918 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.010 2.229 10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.345 3.147 12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.127 1.580 12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.213 1.602 13.617 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.073 0.468 12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.896 2.174 13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.663 1.803 11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.028 3.240 12.007 1.00 0.00 H new ATOM 176 N PHE A 13 0.320 4.011 7.581 1.00 0.00 N ATOM 177 CA PHE A 13 1.720 4.017 7.278 1.00 0.00 C ATOM 178 C PHE A 13 2.473 3.830 8.587 1.00 0.00 C ATOM 179 O PHE A 13 1.885 3.959 9.661 1.00 0.00 O ATOM 180 CB PHE A 13 2.114 5.341 6.613 1.00 0.00 C ATOM 181 CG PHE A 13 3.180 5.190 5.559 1.00 0.00 C ATOM 182 CD1 PHE A 13 4.517 5.033 5.893 1.00 0.00 C ATOM 183 CD2 PHE A 13 2.826 5.183 4.225 1.00 0.00 C ATOM 184 CE1 PHE A 13 5.473 4.874 4.914 1.00 0.00 C ATOM 185 CE2 PHE A 13 3.775 5.021 3.247 1.00 0.00 C ATOM 186 CZ PHE A 13 5.095 4.866 3.588 1.00 0.00 C ATOM 0 H PHE A 13 -0.103 4.932 7.697 1.00 0.00 H new ATOM 0 HA PHE A 13 1.966 3.214 6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.229 5.789 6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.466 6.032 7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.812 5.035 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.790 5.307 3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.512 4.756 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.482 5.016 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.839 4.737 2.816 1.00 0.00 H new ATOM 196 N SER A 14 3.735 3.526 8.512 1.00 0.00 N ATOM 197 CA SER A 14 4.560 3.364 9.691 1.00 0.00 C ATOM 198 C SER A 14 4.795 4.717 10.388 1.00 0.00 C ATOM 199 O SER A 14 5.180 4.777 11.555 1.00 0.00 O ATOM 200 CB SER A 14 5.867 2.688 9.301 1.00 0.00 C ATOM 201 OG SER A 14 5.600 1.443 8.650 1.00 0.00 O ATOM 0 H SER A 14 4.231 3.381 7.632 1.00 0.00 H new ATOM 0 HA SER A 14 4.046 2.727 10.411 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.439 3.338 8.639 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.478 2.520 10.188 1.00 0.00 H new ATOM 0 HG SER A 14 4.847 1.552 8.032 1.00 0.00 H new ATOM 207 N SER A 15 4.542 5.786 9.666 1.00 0.00 N ATOM 208 CA SER A 15 4.637 7.116 10.188 1.00 0.00 C ATOM 209 C SER A 15 3.285 7.558 10.768 1.00 0.00 C ATOM 210 O SER A 15 3.192 8.551 11.500 1.00 0.00 O ATOM 211 CB SER A 15 5.063 8.023 9.049 1.00 0.00 C ATOM 212 OG SER A 15 4.273 7.751 7.890 1.00 0.00 O ATOM 0 H SER A 15 4.261 5.747 8.686 1.00 0.00 H new ATOM 0 HA SER A 15 5.367 7.163 10.997 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.948 9.067 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.119 7.869 8.825 1.00 0.00 H new ATOM 0 HG SER A 15 4.552 8.341 7.158 1.00 0.00 H new ATOM 218 N LYS A 16 2.247 6.801 10.459 1.00 0.00 N ATOM 219 CA LYS A 16 0.905 7.113 10.883 1.00 0.00 C ATOM 220 C LYS A 16 0.455 6.198 12.008 1.00 0.00 C ATOM 221 O LYS A 16 0.852 5.022 12.086 1.00 0.00 O ATOM 222 CB LYS A 16 -0.066 6.997 9.706 1.00 0.00 C ATOM 223 CG LYS A 16 0.103 8.054 8.627 1.00 0.00 C ATOM 224 CD LYS A 16 -0.848 7.791 7.469 1.00 0.00 C ATOM 225 CE LYS A 16 -0.809 8.903 6.416 1.00 0.00 C ATOM 226 NZ LYS A 16 0.537 9.085 5.838 1.00 0.00 N ATOM 0 H LYS A 16 2.318 5.949 9.903 1.00 0.00 H new ATOM 0 HA LYS A 16 0.905 8.138 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.053 6.013 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.085 7.050 10.089 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.088 9.042 9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.132 8.054 8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.591 6.841 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.864 7.693 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.515 8.670 5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.137 9.839 6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.461 9.596 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.127 9.633 6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.973 8.155 5.674 1.00 0.00 H new ATOM 240 N LEU A 17 -0.358 6.733 12.868 1.00 0.00 N ATOM 241 CA LEU A 17 -0.934 5.982 13.957 1.00 0.00 C ATOM 242 C LEU A 17 -2.320 5.524 13.535 1.00 0.00 C ATOM 243 O LEU A 17 -2.795 4.456 13.924 1.00 0.00 O ATOM 244 CB LEU A 17 -1.032 6.825 15.256 1.00 0.00 C ATOM 245 CG LEU A 17 0.286 7.282 15.935 1.00 0.00 C ATOM 246 CD1 LEU A 17 1.032 8.334 15.115 1.00 0.00 C ATOM 247 CD2 LEU A 17 0.006 7.806 17.336 1.00 0.00 C ATOM 0 H LEU A 17 -0.647 7.711 12.839 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.290 5.130 14.175 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.617 7.717 15.031 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.599 6.247 15.986 1.00 0.00 H new ATOM 0 HG LEU A 17 0.933 6.407 15.999 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.947 8.619 15.635 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.283 7.922 14.138 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.399 9.212 14.987 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.940 8.123 17.799 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.676 8.654 17.278 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.447 7.017 17.936 1.00 0.00 H new ATOM 259 N ASN A 18 -2.943 6.328 12.702 1.00 0.00 N ATOM 260 CA ASN A 18 -4.278 6.060 12.212 1.00 0.00 C ATOM 261 C ASN A 18 -4.229 5.606 10.778 1.00 0.00 C ATOM 262 O ASN A 18 -3.215 5.797 10.089 1.00 0.00 O ATOM 263 CB ASN A 18 -5.193 7.292 12.350 1.00 0.00 C ATOM 264 CG ASN A 18 -5.487 7.652 13.795 1.00 0.00 C ATOM 265 OD1 ASN A 18 -5.492 6.793 14.670 1.00 0.00 O ATOM 266 ND2 ASN A 18 -5.784 8.900 14.057 1.00 0.00 N ATOM 0 H ASN A 18 -2.536 7.191 12.343 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.700 5.263 12.824 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.724 8.144 11.857 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.132 7.101 11.830 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.027 9.178 15.008 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.772 9.595 13.310 1.00 0.00 H new ATOM 273 N TYR A 19 -5.304 5.015 10.327 1.00 0.00 N ATOM 274 CA TYR A 19 -5.381 4.488 8.991 1.00 0.00 C ATOM 275 C TYR A 19 -5.822 5.531 8.005 1.00 0.00 C ATOM 276 O TYR A 19 -6.644 6.393 8.310 1.00 0.00 O ATOM 277 CB TYR A 19 -6.288 3.261 8.919 1.00 0.00 C ATOM 278 CG TYR A 19 -5.732 2.040 9.639 1.00 0.00 C ATOM 279 CD1 TYR A 19 -5.678 1.977 11.030 1.00 0.00 C ATOM 280 CD2 TYR A 19 -5.250 0.952 8.922 1.00 0.00 C ATOM 281 CE1 TYR A 19 -5.155 0.875 11.677 1.00 0.00 C ATOM 282 CE2 TYR A 19 -4.732 -0.156 9.563 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.684 -0.187 10.939 1.00 0.00 C ATOM 284 OH TYR A 19 -4.156 -1.282 11.578 1.00 0.00 O ATOM 0 H TYR A 19 -6.153 4.885 10.878 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.373 4.176 8.719 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.258 3.513 9.347 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.458 3.008 7.873 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.052 2.806 11.613 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.281 0.973 7.843 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.116 0.847 12.756 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.366 -0.994 8.988 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.870 -1.943 10.913 1.00 0.00 H new ATOM 294 N ASP A 20 -5.250 5.454 6.854 1.00 0.00 N ATOM 295 CA ASP A 20 -5.524 6.326 5.747 1.00 0.00 C ATOM 296 C ASP A 20 -6.286 5.471 4.738 1.00 0.00 C ATOM 297 O ASP A 20 -6.448 4.265 4.974 1.00 0.00 O ATOM 298 CB ASP A 20 -4.188 6.791 5.173 1.00 0.00 C ATOM 299 CG ASP A 20 -4.267 8.011 4.273 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.759 7.902 3.135 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.817 9.095 4.696 1.00 0.00 O ATOM 0 H ASP A 20 -4.543 4.750 6.641 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.103 7.208 6.019 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.511 7.010 5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.746 5.970 4.609 1.00 0.00 H new ATOM 306 N THR A 21 -6.715 6.026 3.639 1.00 0.00 N ATOM 307 CA THR A 21 -7.544 5.284 2.712 1.00 0.00 C ATOM 308 C THR A 21 -7.276 5.598 1.231 1.00 0.00 C ATOM 309 O THR A 21 -7.252 6.767 0.816 1.00 0.00 O ATOM 310 CB THR A 21 -9.046 5.498 3.023 1.00 0.00 C ATOM 311 OG1 THR A 21 -9.289 6.862 3.440 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.568 4.522 4.069 1.00 0.00 C ATOM 0 H THR A 21 -6.509 6.985 3.358 1.00 0.00 H new ATOM 0 HA THR A 21 -7.271 4.239 2.862 1.00 0.00 H new ATOM 0 HB THR A 21 -9.593 5.303 2.101 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.243 6.981 3.631 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.625 4.714 4.251 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.442 3.501 3.709 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.011 4.651 4.997 1.00 0.00 H new ATOM 320 N VAL A 22 -7.052 4.558 0.450 1.00 0.00 N ATOM 321 CA VAL A 22 -6.955 4.698 -0.998 1.00 0.00 C ATOM 322 C VAL A 22 -8.291 4.391 -1.623 1.00 0.00 C ATOM 323 O VAL A 22 -8.907 3.370 -1.305 1.00 0.00 O ATOM 324 CB VAL A 22 -5.865 3.797 -1.684 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.483 4.399 -1.580 1.00 0.00 C ATOM 326 CG2 VAL A 22 -5.860 2.384 -1.112 1.00 0.00 C ATOM 0 H VAL A 22 -6.933 3.604 0.791 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.648 5.730 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.134 3.743 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.762 3.742 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.473 5.374 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.215 4.516 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.093 1.792 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.648 2.425 -0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.835 1.924 -1.271 1.00 0.00 H new ATOM 336 N THR A 23 -8.757 5.278 -2.453 1.00 0.00 N ATOM 337 CA THR A 23 -9.968 5.072 -3.172 1.00 0.00 C ATOM 338 C THR A 23 -9.629 4.502 -4.538 1.00 0.00 C ATOM 339 O THR A 23 -8.826 5.092 -5.291 1.00 0.00 O ATOM 340 CB THR A 23 -10.771 6.393 -3.298 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.914 7.459 -3.762 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.372 6.783 -1.959 1.00 0.00 C ATOM 0 H THR A 23 -8.300 6.169 -2.647 1.00 0.00 H new ATOM 0 HA THR A 23 -10.600 4.367 -2.632 1.00 0.00 H new ATOM 0 HB THR A 23 -11.574 6.232 -4.018 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.319 7.119 -4.463 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.931 7.712 -2.068 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.042 5.994 -1.617 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.575 6.923 -1.229 1.00 0.00 H new ATOM 350 N PHE A 24 -10.166 3.359 -4.841 1.00 0.00 N ATOM 351 CA PHE A 24 -9.878 2.706 -6.090 1.00 0.00 C ATOM 352 C PHE A 24 -11.168 2.094 -6.596 1.00 0.00 C ATOM 353 O PHE A 24 -12.161 2.104 -5.877 1.00 0.00 O ATOM 354 CB PHE A 24 -8.778 1.624 -5.872 1.00 0.00 C ATOM 355 CG PHE A 24 -9.209 0.461 -4.999 1.00 0.00 C ATOM 356 CD1 PHE A 24 -9.332 0.609 -3.629 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.508 -0.772 -5.556 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.740 -0.435 -2.844 1.00 0.00 C ATOM 359 CE2 PHE A 24 -9.918 -1.815 -4.767 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.033 -1.643 -3.413 1.00 0.00 C ATOM 0 H PHE A 24 -10.813 2.852 -4.236 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.499 3.412 -6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.467 1.238 -6.843 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.905 2.096 -5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.103 1.561 -3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.417 -0.913 -6.623 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.830 -0.305 -1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.150 -2.771 -5.212 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.357 -2.465 -2.792 1.00 0.00 H new ATOM 370 N ASP A 25 -11.186 1.596 -7.801 1.00 0.00 N ATOM 371 CA ASP A 25 -12.382 0.946 -8.306 1.00 0.00 C ATOM 372 C ASP A 25 -12.089 -0.516 -8.514 1.00 0.00 C ATOM 373 O ASP A 25 -11.151 -0.874 -9.233 1.00 0.00 O ATOM 374 CB ASP A 25 -12.900 1.594 -9.598 1.00 0.00 C ATOM 375 CG ASP A 25 -14.223 0.994 -10.059 1.00 0.00 C ATOM 376 OD1 ASP A 25 -15.289 1.365 -9.513 1.00 0.00 O ATOM 377 OD2 ASP A 25 -14.238 0.154 -10.991 1.00 0.00 O ATOM 0 H ASP A 25 -10.401 1.622 -8.452 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.176 1.064 -7.569 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.026 2.665 -9.439 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.156 1.474 -10.385 1.00 0.00 H new ATOM 382 N GLY A 26 -12.849 -1.346 -7.867 1.00 0.00 N ATOM 383 CA GLY A 26 -12.638 -2.760 -7.912 1.00 0.00 C ATOM 384 C GLY A 26 -12.829 -3.325 -6.538 1.00 0.00 C ATOM 385 O GLY A 26 -13.266 -2.606 -5.637 1.00 0.00 O ATOM 0 H GLY A 26 -13.639 -1.059 -7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.336 -3.223 -8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.633 -2.980 -8.273 1.00 0.00 H new ATOM 389 N LEU A 27 -12.532 -4.570 -6.345 1.00 0.00 N ATOM 390 CA LEU A 27 -12.661 -5.153 -5.028 1.00 0.00 C ATOM 391 C LEU A 27 -11.279 -5.111 -4.363 1.00 0.00 C ATOM 392 O LEU A 27 -11.142 -4.908 -3.148 1.00 0.00 O ATOM 393 CB LEU A 27 -13.158 -6.607 -5.140 1.00 0.00 C ATOM 394 CG LEU A 27 -14.076 -7.142 -4.011 1.00 0.00 C ATOM 395 CD1 LEU A 27 -14.393 -8.604 -4.240 1.00 0.00 C ATOM 396 CD2 LEU A 27 -13.490 -6.929 -2.617 1.00 0.00 C ATOM 0 H LEU A 27 -12.200 -5.207 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.384 -4.597 -4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.694 -6.707 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.285 -7.257 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.998 -6.563 -4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.038 -8.966 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.902 -8.720 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.468 -9.180 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.178 -7.324 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.534 -7.448 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.339 -5.863 -2.445 1.00 0.00 H new ATOM 408 N HIS A 28 -10.266 -5.259 -5.177 1.00 0.00 N ATOM 409 CA HIS A 28 -8.897 -5.298 -4.717 1.00 0.00 C ATOM 410 C HIS A 28 -7.930 -4.682 -5.689 1.00 0.00 C ATOM 411 O HIS A 28 -8.159 -4.686 -6.907 1.00 0.00 O ATOM 412 CB HIS A 28 -8.445 -6.710 -4.304 1.00 0.00 C ATOM 413 CG HIS A 28 -9.052 -7.854 -5.045 1.00 0.00 C ATOM 414 ND1 HIS A 28 -9.774 -8.847 -4.417 1.00 0.00 N ATOM 415 CD2 HIS A 28 -8.994 -8.191 -6.346 1.00 0.00 C ATOM 416 CE1 HIS A 28 -10.126 -9.740 -5.329 1.00 0.00 C ATOM 417 NE2 HIS A 28 -9.675 -9.391 -6.532 1.00 0.00 N ATOM 0 H HIS A 28 -10.366 -5.357 -6.187 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.883 -4.679 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.363 -6.767 -4.418 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.661 -6.839 -3.243 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.500 -7.623 -7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.701 -10.631 -5.125 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.802 -9.898 -7.408 1.00 0.00 H new ATOM 425 N ILE A 29 -6.861 -4.169 -5.142 1.00 0.00 N ATOM 426 CA ILE A 29 -5.830 -3.505 -5.879 1.00 0.00 C ATOM 427 C ILE A 29 -4.485 -4.208 -5.693 1.00 0.00 C ATOM 428 O ILE A 29 -4.094 -4.538 -4.576 1.00 0.00 O ATOM 429 CB ILE A 29 -5.743 -1.994 -5.481 1.00 0.00 C ATOM 430 CG1 ILE A 29 -4.532 -1.303 -6.121 1.00 0.00 C ATOM 431 CG2 ILE A 29 -5.730 -1.809 -3.963 1.00 0.00 C ATOM 432 CD1 ILE A 29 -4.568 0.205 -5.999 1.00 0.00 C ATOM 0 H ILE A 29 -6.682 -4.205 -4.139 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.085 -3.554 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.642 -1.516 -5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.621 -1.676 -5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.484 -1.574 -7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.669 -0.747 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.644 -2.223 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.868 -2.325 -3.541 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.683 0.630 -6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.462 0.589 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.586 0.484 -4.946 1.00 0.00 H new ATOM 444 N SER A 30 -3.832 -4.493 -6.793 1.00 0.00 N ATOM 445 CA SER A 30 -2.523 -5.093 -6.800 1.00 0.00 C ATOM 446 C SER A 30 -1.518 -4.171 -6.085 1.00 0.00 C ATOM 447 O SER A 30 -1.576 -2.942 -6.229 1.00 0.00 O ATOM 448 CB SER A 30 -2.089 -5.313 -8.243 1.00 0.00 C ATOM 449 OG SER A 30 -3.098 -6.002 -8.981 1.00 0.00 O ATOM 0 H SER A 30 -4.204 -4.310 -7.725 1.00 0.00 H new ATOM 0 HA SER A 30 -2.554 -6.048 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.881 -4.353 -8.714 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.162 -5.886 -8.264 1.00 0.00 H new ATOM 0 HG SER A 30 -2.797 -6.130 -9.905 1.00 0.00 H new ATOM 455 N LEU A 31 -0.607 -4.775 -5.351 1.00 0.00 N ATOM 456 CA LEU A 31 0.392 -4.095 -4.549 1.00 0.00 C ATOM 457 C LEU A 31 1.200 -3.134 -5.378 1.00 0.00 C ATOM 458 O LEU A 31 1.497 -2.042 -4.929 1.00 0.00 O ATOM 459 CB LEU A 31 1.321 -5.114 -3.898 1.00 0.00 C ATOM 460 CG LEU A 31 2.420 -4.550 -3.003 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.840 -3.866 -1.776 1.00 0.00 C ATOM 462 CD2 LEU A 31 3.393 -5.632 -2.614 1.00 0.00 C ATOM 0 H LEU A 31 -0.538 -5.791 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.129 -3.527 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.715 -5.800 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.790 -5.703 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 31 2.961 -3.793 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.650 -3.476 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.194 -3.046 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.260 -4.586 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.170 -5.211 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.866 -6.418 -2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.849 -6.051 -3.511 1.00 0.00 H new ATOM 474 N CYS A 32 1.547 -3.547 -6.590 1.00 0.00 N ATOM 475 CA CYS A 32 2.305 -2.712 -7.504 1.00 0.00 C ATOM 476 C CYS A 32 1.601 -1.374 -7.685 1.00 0.00 C ATOM 477 O CYS A 32 2.202 -0.324 -7.516 1.00 0.00 O ATOM 478 CB CYS A 32 2.405 -3.398 -8.872 1.00 0.00 C ATOM 479 SG CYS A 32 3.522 -2.586 -10.033 1.00 0.00 S ATOM 0 H CYS A 32 1.311 -4.466 -6.963 1.00 0.00 H new ATOM 0 HA CYS A 32 3.302 -2.556 -7.091 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.737 -4.426 -8.726 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.410 -3.444 -9.315 1.00 0.00 H new ATOM 0 HG CYS A 32 3.536 -3.244 -11.154 1.00 0.00 H new ATOM 485 N ASP A 33 0.300 -1.428 -7.904 1.00 0.00 N ATOM 486 CA ASP A 33 -0.464 -0.224 -8.168 1.00 0.00 C ATOM 487 C ASP A 33 -0.657 0.546 -6.896 1.00 0.00 C ATOM 488 O ASP A 33 -0.505 1.758 -6.864 1.00 0.00 O ATOM 489 CB ASP A 33 -1.809 -0.536 -8.795 1.00 0.00 C ATOM 490 CG ASP A 33 -2.439 0.700 -9.415 1.00 0.00 C ATOM 491 OD1 ASP A 33 -2.073 1.048 -10.552 1.00 0.00 O ATOM 492 OD2 ASP A 33 -3.329 1.320 -8.798 1.00 0.00 O ATOM 0 H ASP A 33 -0.247 -2.289 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 33 0.100 0.379 -8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.685 -1.304 -9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.478 -0.945 -8.038 1.00 0.00 H new ATOM 497 N LEU A 34 -0.932 -0.185 -5.832 1.00 0.00 N ATOM 498 CA LEU A 34 -1.168 0.401 -4.522 1.00 0.00 C ATOM 499 C LEU A 34 0.050 1.177 -4.039 1.00 0.00 C ATOM 500 O LEU A 34 -0.075 2.308 -3.555 1.00 0.00 O ATOM 501 CB LEU A 34 -1.641 -0.686 -3.516 1.00 0.00 C ATOM 502 CG LEU A 34 -1.786 -0.278 -2.036 1.00 0.00 C ATOM 503 CD1 LEU A 34 -2.854 -1.121 -1.363 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.468 -0.492 -1.303 1.00 0.00 C ATOM 0 H LEU A 34 -0.999 -1.203 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.976 1.129 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.606 -1.061 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.939 -1.519 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.066 0.775 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.947 -0.824 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.808 -0.972 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.575 -2.173 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.581 -0.201 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.188 -1.544 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.309 0.115 -1.767 1.00 0.00 H new ATOM 516 N LYS A 35 1.222 0.595 -4.210 1.00 0.00 N ATOM 517 CA LYS A 35 2.447 1.255 -3.821 1.00 0.00 C ATOM 518 C LYS A 35 2.674 2.489 -4.667 1.00 0.00 C ATOM 519 O LYS A 35 3.097 3.502 -4.155 1.00 0.00 O ATOM 520 CB LYS A 35 3.654 0.338 -3.922 1.00 0.00 C ATOM 521 CG LYS A 35 3.599 -0.877 -3.020 1.00 0.00 C ATOM 522 CD LYS A 35 4.883 -1.695 -3.092 1.00 0.00 C ATOM 523 CE LYS A 35 5.231 -2.177 -4.477 1.00 0.00 C ATOM 524 NZ LYS A 35 6.507 -2.937 -4.472 1.00 0.00 N ATOM 0 H LYS A 35 1.348 -0.332 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 35 2.334 1.541 -2.775 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.754 0.004 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.550 0.911 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.428 -0.559 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.753 -1.503 -3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.707 -1.091 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.789 -2.557 -2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.429 -2.809 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.314 -1.325 -5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.881 -2.994 -5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.197 -2.453 -3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.338 -3.897 -4.109 1.00 0.00 H new ATOM 538 N LYS A 36 2.353 2.407 -5.960 1.00 0.00 N ATOM 539 CA LYS A 36 2.490 3.554 -6.863 1.00 0.00 C ATOM 540 C LYS A 36 1.600 4.705 -6.416 1.00 0.00 C ATOM 541 O LYS A 36 2.006 5.878 -6.486 1.00 0.00 O ATOM 542 CB LYS A 36 2.161 3.178 -8.321 1.00 0.00 C ATOM 543 CG LYS A 36 3.353 2.794 -9.213 1.00 0.00 C ATOM 544 CD LYS A 36 4.182 1.639 -8.670 1.00 0.00 C ATOM 545 CE LYS A 36 5.215 1.174 -9.692 1.00 0.00 C ATOM 546 NZ LYS A 36 6.237 2.196 -9.989 1.00 0.00 N ATOM 0 H LYS A 36 1.997 1.561 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 36 3.532 3.870 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.460 2.343 -8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.646 4.020 -8.783 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.983 2.529 -10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.997 3.664 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.686 1.948 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.526 0.809 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.706 0.275 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.705 0.899 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.929 1.810 -10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.780 3.034 -10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.724 2.466 -9.110 1.00 0.00 H new ATOM 560 N GLN A 37 0.407 4.377 -5.932 1.00 0.00 N ATOM 561 CA GLN A 37 -0.518 5.387 -5.456 1.00 0.00 C ATOM 562 C GLN A 37 0.036 6.045 -4.204 1.00 0.00 C ATOM 563 O GLN A 37 0.147 7.263 -4.129 1.00 0.00 O ATOM 564 CB GLN A 37 -1.900 4.783 -5.132 1.00 0.00 C ATOM 565 CG GLN A 37 -2.564 4.020 -6.272 1.00 0.00 C ATOM 566 CD GLN A 37 -2.664 4.816 -7.551 1.00 0.00 C ATOM 567 OE1 GLN A 37 -2.745 6.051 -7.531 1.00 0.00 O ATOM 568 NE2 GLN A 37 -2.700 4.132 -8.658 1.00 0.00 N ATOM 0 H GLN A 37 0.062 3.420 -5.861 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.638 6.124 -6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.793 4.110 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.565 5.588 -4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.000 3.107 -6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.564 3.718 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.630 3.115 -8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.798 4.613 -9.552 1.00 0.00 H new ATOM 577 N ILE A 38 0.438 5.224 -3.255 1.00 0.00 N ATOM 578 CA ILE A 38 0.925 5.700 -1.974 1.00 0.00 C ATOM 579 C ILE A 38 2.270 6.434 -2.102 1.00 0.00 C ATOM 580 O ILE A 38 2.448 7.503 -1.527 1.00 0.00 O ATOM 581 CB ILE A 38 1.025 4.549 -0.941 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.356 3.910 -0.743 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.573 5.057 0.391 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.360 2.732 0.202 1.00 0.00 C ATOM 0 H ILE A 38 0.437 4.208 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 38 0.192 6.420 -1.610 1.00 0.00 H new ATOM 0 HB ILE A 38 1.716 3.797 -1.323 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.044 4.667 -0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.737 3.587 -1.712 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.633 4.230 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.567 5.478 0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.910 5.826 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.373 2.338 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.301 1.955 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.011 3.052 1.184 1.00 0.00 H new ATOM 596 N MET A 39 3.194 5.886 -2.881 1.00 0.00 N ATOM 597 CA MET A 39 4.508 6.510 -3.054 1.00 0.00 C ATOM 598 C MET A 39 4.385 7.852 -3.723 1.00 0.00 C ATOM 599 O MET A 39 5.052 8.803 -3.334 1.00 0.00 O ATOM 600 CB MET A 39 5.506 5.615 -3.805 1.00 0.00 C ATOM 601 CG MET A 39 5.912 4.364 -3.037 1.00 0.00 C ATOM 602 SD MET A 39 7.154 3.367 -3.883 1.00 0.00 S ATOM 603 CE MET A 39 6.267 2.922 -5.373 1.00 0.00 C ATOM 0 H MET A 39 3.064 5.018 -3.401 1.00 0.00 H new ATOM 0 HA MET A 39 4.913 6.653 -2.052 1.00 0.00 H new ATOM 0 HB2 MET A 39 5.067 5.318 -4.758 1.00 0.00 H new ATOM 0 HB3 MET A 39 6.400 6.196 -4.033 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.297 4.657 -2.060 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.027 3.753 -2.860 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.337 1.846 -5.530 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.220 3.207 -5.272 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.704 3.442 -6.226 1.00 0.00 H new ATOM 613 N GLY A 40 3.502 7.941 -4.694 1.00 0.00 N ATOM 614 CA GLY A 40 3.272 9.197 -5.357 1.00 0.00 C ATOM 615 C GLY A 40 2.584 10.187 -4.441 1.00 0.00 C ATOM 616 O GLY A 40 2.966 11.357 -4.377 1.00 0.00 O ATOM 0 H GLY A 40 2.938 7.163 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.222 9.611 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.661 9.035 -6.245 1.00 0.00 H new ATOM 620 N ARG A 41 1.603 9.697 -3.700 1.00 0.00 N ATOM 621 CA ARG A 41 0.811 10.511 -2.787 1.00 0.00 C ATOM 622 C ARG A 41 1.631 11.044 -1.612 1.00 0.00 C ATOM 623 O ARG A 41 1.554 12.228 -1.285 1.00 0.00 O ATOM 624 CB ARG A 41 -0.401 9.717 -2.271 1.00 0.00 C ATOM 625 CG ARG A 41 -1.175 10.412 -1.162 1.00 0.00 C ATOM 626 CD ARG A 41 -2.361 9.596 -0.698 1.00 0.00 C ATOM 627 NE ARG A 41 -2.976 10.191 0.495 1.00 0.00 N ATOM 628 CZ ARG A 41 -4.290 10.366 0.705 1.00 0.00 C ATOM 629 NH1 ARG A 41 -5.176 10.064 -0.245 1.00 0.00 N ATOM 630 NH2 ARG A 41 -4.715 10.849 1.869 1.00 0.00 N ATOM 0 H ARG A 41 1.330 8.714 -3.714 1.00 0.00 H new ATOM 0 HA ARG A 41 0.464 11.374 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.076 9.524 -3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.058 8.748 -1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.511 10.597 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.520 11.384 -1.515 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.098 9.533 -1.498 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.042 8.577 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.345 10.501 1.234 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.857 9.696 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.172 10.201 -0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.043 11.085 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.713 10.983 2.032 1.00 0.00 H new ATOM 644 N GLU A 42 2.411 10.186 -0.995 1.00 0.00 N ATOM 645 CA GLU A 42 3.161 10.558 0.204 1.00 0.00 C ATOM 646 C GLU A 42 4.550 11.061 -0.121 1.00 0.00 C ATOM 647 O GLU A 42 5.345 11.345 0.785 1.00 0.00 O ATOM 648 CB GLU A 42 3.287 9.394 1.139 1.00 0.00 C ATOM 649 CG GLU A 42 1.966 8.813 1.646 1.00 0.00 C ATOM 650 CD GLU A 42 1.169 9.794 2.479 1.00 0.00 C ATOM 651 OE1 GLU A 42 1.624 10.151 3.593 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.085 10.229 2.058 1.00 0.00 O ATOM 0 H GLU A 42 2.549 9.222 -1.297 1.00 0.00 H new ATOM 0 HA GLU A 42 2.597 11.362 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.842 8.603 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.882 9.703 1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.364 8.496 0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.171 7.923 2.241 1.00 0.00 H new ATOM 659 N LYS A 43 4.836 11.128 -1.401 1.00 0.00 N ATOM 660 CA LYS A 43 6.082 11.665 -1.956 1.00 0.00 C ATOM 661 C LYS A 43 7.275 10.804 -1.557 1.00 0.00 C ATOM 662 O LYS A 43 8.244 11.291 -0.970 1.00 0.00 O ATOM 663 CB LYS A 43 6.343 13.154 -1.550 1.00 0.00 C ATOM 664 CG LYS A 43 5.103 14.070 -1.458 1.00 0.00 C ATOM 665 CD LYS A 43 4.132 13.887 -2.610 1.00 0.00 C ATOM 666 CE LYS A 43 4.751 14.189 -3.964 1.00 0.00 C ATOM 667 NZ LYS A 43 3.778 14.004 -5.057 1.00 0.00 N ATOM 0 H LYS A 43 4.191 10.801 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 43 5.962 11.641 -3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.845 13.161 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.035 13.588 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.584 13.873 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.430 15.110 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.762 12.862 -2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.270 14.537 -2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.122 15.214 -3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.610 13.538 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.262 14.102 -5.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.355 13.056 -4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.030 14.723 -4.982 1.00 0.00 H new ATOM 681 N LEU A 44 7.189 9.525 -1.826 1.00 0.00 N ATOM 682 CA LEU A 44 8.297 8.635 -1.539 1.00 0.00 C ATOM 683 C LEU A 44 9.229 8.575 -2.710 1.00 0.00 C ATOM 684 O LEU A 44 8.831 8.890 -3.842 1.00 0.00 O ATOM 685 CB LEU A 44 7.867 7.201 -1.188 1.00 0.00 C ATOM 686 CG LEU A 44 7.434 6.927 0.248 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.076 7.502 0.556 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.481 5.446 0.535 1.00 0.00 C ATOM 0 H LEU A 44 6.372 9.075 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 44 8.789 9.054 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.042 6.927 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.697 6.534 -1.422 1.00 0.00 H new ATOM 0 HG LEU A 44 8.140 7.433 0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.813 7.280 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.097 8.582 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.334 7.060 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.169 5.265 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.810 4.922 -0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.498 5.080 0.394 1.00 0.00 H new ATOM 700 N LYS A 45 10.454 8.190 -2.465 1.00 0.00 N ATOM 701 CA LYS A 45 11.398 7.999 -3.526 1.00 0.00 C ATOM 702 C LYS A 45 11.388 6.535 -3.947 1.00 0.00 C ATOM 703 O LYS A 45 11.991 5.657 -3.304 1.00 0.00 O ATOM 704 CB LYS A 45 12.800 8.515 -3.151 1.00 0.00 C ATOM 705 CG LYS A 45 13.319 8.049 -1.802 1.00 0.00 C ATOM 706 CD LYS A 45 14.719 8.567 -1.523 1.00 0.00 C ATOM 707 CE LYS A 45 14.777 10.087 -1.442 1.00 0.00 C ATOM 708 NZ LYS A 45 16.157 10.563 -1.210 1.00 0.00 N ATOM 0 H LYS A 45 10.820 8.002 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 45 11.100 8.598 -4.386 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.504 8.201 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.783 9.605 -3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.643 8.388 -1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.322 6.959 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.079 8.143 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.393 8.223 -2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.393 10.517 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.130 10.435 -0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.162 11.602 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.513 10.171 -0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.768 10.251 -1.992 1.00 0.00 H new ATOM 722 N ALA A 46 10.704 6.292 -5.035 1.00 0.00 N ATOM 723 CA ALA A 46 10.422 4.957 -5.524 1.00 0.00 C ATOM 724 C ALA A 46 11.626 4.296 -6.172 1.00 0.00 C ATOM 725 O ALA A 46 11.653 3.084 -6.347 1.00 0.00 O ATOM 726 CB ALA A 46 9.269 5.021 -6.502 1.00 0.00 C ATOM 0 H ALA A 46 10.316 7.030 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 46 10.159 4.340 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.051 4.020 -6.874 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.388 5.421 -6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.536 5.668 -7.337 1.00 0.00 H new ATOM 732 N ALA A 47 12.612 5.079 -6.525 1.00 0.00 N ATOM 733 CA ALA A 47 13.791 4.545 -7.184 1.00 0.00 C ATOM 734 C ALA A 47 14.870 4.195 -6.187 1.00 0.00 C ATOM 735 O ALA A 47 15.845 3.512 -6.517 1.00 0.00 O ATOM 736 CB ALA A 47 14.315 5.515 -8.223 1.00 0.00 C ATOM 0 H ALA A 47 12.629 6.087 -6.371 1.00 0.00 H new ATOM 0 HA ALA A 47 13.497 3.626 -7.691 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.198 5.093 -8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.545 5.695 -8.974 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.579 6.456 -7.741 1.00 0.00 H new ATOM 742 N ASP A 48 14.693 4.641 -4.974 1.00 0.00 N ATOM 743 CA ASP A 48 15.678 4.408 -3.941 1.00 0.00 C ATOM 744 C ASP A 48 15.212 3.349 -2.971 1.00 0.00 C ATOM 745 O ASP A 48 15.993 2.496 -2.526 1.00 0.00 O ATOM 746 CB ASP A 48 15.978 5.692 -3.190 1.00 0.00 C ATOM 747 CG ASP A 48 16.972 5.485 -2.068 1.00 0.00 C ATOM 748 OD1 ASP A 48 18.189 5.429 -2.339 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.549 5.372 -0.910 1.00 0.00 O ATOM 0 H ASP A 48 13.875 5.170 -4.671 1.00 0.00 H new ATOM 0 HA ASP A 48 16.588 4.057 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.369 6.434 -3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.052 6.096 -2.781 1.00 0.00 H new ATOM 754 N CYS A 49 13.954 3.392 -2.650 1.00 0.00 N ATOM 755 CA CYS A 49 13.386 2.475 -1.714 1.00 0.00 C ATOM 756 C CYS A 49 12.124 1.843 -2.278 1.00 0.00 C ATOM 757 O CYS A 49 11.684 2.180 -3.385 1.00 0.00 O ATOM 758 CB CYS A 49 13.102 3.188 -0.391 1.00 0.00 C ATOM 759 SG CYS A 49 14.581 3.723 0.507 1.00 0.00 S ATOM 0 H CYS A 49 13.292 4.067 -3.032 1.00 0.00 H new ATOM 0 HA CYS A 49 14.101 1.674 -1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.478 4.059 -0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.525 2.521 0.250 1.00 0.00 H new ATOM 0 HG CYS A 49 15.361 4.383 -0.296 1.00 0.00 H new ATOM 765 N ASP A 50 11.557 0.946 -1.527 1.00 0.00 N ATOM 766 CA ASP A 50 10.379 0.229 -1.929 1.00 0.00 C ATOM 767 C ASP A 50 9.364 0.371 -0.831 1.00 0.00 C ATOM 768 O ASP A 50 9.677 0.874 0.265 1.00 0.00 O ATOM 769 CB ASP A 50 10.658 -1.252 -2.157 1.00 0.00 C ATOM 770 CG ASP A 50 9.735 -1.859 -3.213 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.507 -1.909 -3.019 1.00 0.00 O ATOM 772 OD2 ASP A 50 10.228 -2.231 -4.297 1.00 0.00 O ATOM 0 H ASP A 50 11.904 0.686 -0.603 1.00 0.00 H new ATOM 0 HA ASP A 50 10.021 0.643 -2.872 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.695 -1.381 -2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.536 -1.791 -1.218 1.00 0.00 H new ATOM 777 N LEU A 51 8.190 -0.055 -1.086 1.00 0.00 N ATOM 778 CA LEU A 51 7.148 0.084 -0.151 1.00 0.00 C ATOM 779 C LEU A 51 6.666 -1.319 0.229 1.00 0.00 C ATOM 780 O LEU A 51 6.351 -2.125 -0.619 1.00 0.00 O ATOM 781 CB LEU A 51 6.050 0.955 -0.771 1.00 0.00 C ATOM 782 CG LEU A 51 5.023 1.513 0.173 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.712 2.332 1.246 1.00 0.00 C ATOM 784 CD2 LEU A 51 4.041 2.380 -0.575 1.00 0.00 C ATOM 0 H LEU A 51 7.923 -0.514 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 51 7.472 0.581 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.527 1.788 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.533 0.365 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 51 4.482 0.687 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.966 2.736 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.405 1.698 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.261 3.152 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.303 2.778 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.572 3.205 -1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.538 1.785 -1.337 1.00 0.00 H new ATOM 796 N GLN A 52 6.654 -1.613 1.485 1.00 0.00 N ATOM 797 CA GLN A 52 6.319 -2.937 1.943 1.00 0.00 C ATOM 798 C GLN A 52 5.028 -2.908 2.721 1.00 0.00 C ATOM 799 O GLN A 52 4.900 -2.190 3.695 1.00 0.00 O ATOM 800 CB GLN A 52 7.457 -3.457 2.776 1.00 0.00 C ATOM 801 CG GLN A 52 7.367 -4.899 3.194 1.00 0.00 C ATOM 802 CD GLN A 52 8.656 -5.338 3.832 1.00 0.00 C ATOM 803 OE1 GLN A 52 8.833 -5.222 5.037 1.00 0.00 O ATOM 804 NE2 GLN A 52 9.575 -5.811 3.029 1.00 0.00 N ATOM 0 H GLN A 52 6.874 -0.951 2.229 1.00 0.00 H new ATOM 0 HA GLN A 52 6.169 -3.605 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.382 -3.319 2.217 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.533 -2.844 3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.543 -5.031 3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.151 -5.523 2.327 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.387 -5.891 2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.479 -6.099 3.402 1.00 0.00 H new ATOM 813 N ILE A 53 4.073 -3.658 2.284 1.00 0.00 N ATOM 814 CA ILE A 53 2.769 -3.635 2.893 1.00 0.00 C ATOM 815 C ILE A 53 2.459 -4.974 3.564 1.00 0.00 C ATOM 816 O ILE A 53 2.620 -6.031 2.966 1.00 0.00 O ATOM 817 CB ILE A 53 1.643 -3.247 1.847 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.664 -1.745 1.468 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.261 -3.601 2.344 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.857 -1.244 0.686 1.00 0.00 C ATOM 0 H ILE A 53 4.165 -4.304 1.500 1.00 0.00 H new ATOM 0 HA ILE A 53 2.777 -2.863 3.662 1.00 0.00 H new ATOM 0 HB ILE A 53 1.871 -3.833 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.766 -1.531 0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.595 -1.164 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.479 -3.317 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.203 -4.675 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.060 -3.067 3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.741 -0.178 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.766 -1.410 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.924 -1.782 -0.259 1.00 0.00 H new ATOM 832 N THR A 54 2.078 -4.928 4.811 1.00 0.00 N ATOM 833 CA THR A 54 1.672 -6.121 5.512 1.00 0.00 C ATOM 834 C THR A 54 0.178 -6.048 5.786 1.00 0.00 C ATOM 835 O THR A 54 -0.359 -4.968 6.000 1.00 0.00 O ATOM 836 CB THR A 54 2.426 -6.273 6.847 1.00 0.00 C ATOM 837 OG1 THR A 54 3.832 -6.151 6.604 1.00 0.00 O ATOM 838 CG2 THR A 54 2.140 -7.646 7.467 1.00 0.00 C ATOM 0 H THR A 54 2.039 -4.074 5.367 1.00 0.00 H new ATOM 0 HA THR A 54 1.907 -6.984 4.889 1.00 0.00 H new ATOM 0 HB THR A 54 2.092 -5.497 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.303 -6.900 7.025 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.679 -7.739 8.410 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.070 -7.747 7.650 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.467 -8.429 6.783 1.00 0.00 H new ATOM 846 N ASN A 55 -0.489 -7.162 5.734 1.00 0.00 N ATOM 847 CA ASN A 55 -1.895 -7.203 6.032 1.00 0.00 C ATOM 848 C ASN A 55 -2.067 -7.233 7.535 1.00 0.00 C ATOM 849 O ASN A 55 -1.444 -8.046 8.206 1.00 0.00 O ATOM 850 CB ASN A 55 -2.515 -8.450 5.467 1.00 0.00 C ATOM 851 CG ASN A 55 -3.995 -8.348 5.370 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.700 -8.536 6.331 1.00 0.00 O ATOM 853 ND2 ASN A 55 -4.475 -8.122 4.221 1.00 0.00 N ATOM 0 H ASN A 55 -0.081 -8.063 5.486 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.376 -6.328 5.595 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.100 -8.644 4.478 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.252 -9.301 6.095 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.486 -8.095 4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.851 -7.967 3.429 1.00 0.00 H new ATOM 860 N ALA A 56 -2.921 -6.392 8.065 1.00 0.00 N ATOM 861 CA ALA A 56 -3.115 -6.332 9.507 1.00 0.00 C ATOM 862 C ALA A 56 -4.078 -7.411 9.985 1.00 0.00 C ATOM 863 O ALA A 56 -4.220 -7.645 11.179 1.00 0.00 O ATOM 864 CB ALA A 56 -3.626 -4.965 9.912 1.00 0.00 C ATOM 0 H ALA A 56 -3.494 -5.740 7.529 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.149 -6.509 9.979 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.766 -4.935 10.992 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.902 -4.204 9.619 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.577 -4.771 9.417 1.00 0.00 H new ATOM 870 N GLN A 57 -4.741 -8.054 9.052 1.00 0.00 N ATOM 871 CA GLN A 57 -5.728 -9.055 9.380 1.00 0.00 C ATOM 872 C GLN A 57 -5.220 -10.472 9.107 1.00 0.00 C ATOM 873 O GLN A 57 -5.329 -11.345 9.965 1.00 0.00 O ATOM 874 CB GLN A 57 -7.025 -8.783 8.617 1.00 0.00 C ATOM 875 CG GLN A 57 -7.635 -7.415 8.915 1.00 0.00 C ATOM 876 CD GLN A 57 -7.972 -7.222 10.387 1.00 0.00 C ATOM 877 OE1 GLN A 57 -8.286 -8.175 11.104 1.00 0.00 O ATOM 878 NE2 GLN A 57 -7.916 -6.003 10.844 1.00 0.00 N ATOM 0 H GLN A 57 -4.613 -7.899 8.052 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.926 -8.990 10.450 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.830 -8.859 7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.751 -9.557 8.865 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.939 -6.637 8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.540 -7.290 8.321 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.653 -5.237 10.224 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.136 -5.814 11.822 1.00 0.00 H new ATOM 887 N THR A 58 -4.646 -10.698 7.937 1.00 0.00 N ATOM 888 CA THR A 58 -4.190 -12.030 7.571 1.00 0.00 C ATOM 889 C THR A 58 -2.762 -12.217 8.021 1.00 0.00 C ATOM 890 O THR A 58 -2.276 -13.345 8.133 1.00 0.00 O ATOM 891 CB THR A 58 -4.268 -12.268 6.043 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.342 -11.416 5.363 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.657 -11.966 5.525 1.00 0.00 C ATOM 0 H THR A 58 -4.485 -9.982 7.228 1.00 0.00 H new ATOM 0 HA THR A 58 -4.846 -12.748 8.063 1.00 0.00 H new ATOM 0 HB THR A 58 -4.025 -13.314 5.857 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.399 -11.576 4.398 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.690 -12.140 4.449 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.379 -12.616 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.904 -10.925 5.732 1.00 0.00 H new ATOM 901 N LYS A 59 -2.100 -11.072 8.265 1.00 0.00 N ATOM 902 CA LYS A 59 -0.713 -10.974 8.708 1.00 0.00 C ATOM 903 C LYS A 59 0.234 -11.340 7.585 1.00 0.00 C ATOM 904 O LYS A 59 1.424 -11.543 7.807 1.00 0.00 O ATOM 905 CB LYS A 59 -0.440 -11.821 9.955 1.00 0.00 C ATOM 906 CG LYS A 59 -1.397 -11.565 11.115 1.00 0.00 C ATOM 907 CD LYS A 59 -1.365 -10.128 11.629 1.00 0.00 C ATOM 908 CE LYS A 59 0.019 -9.711 12.096 1.00 0.00 C ATOM 909 NZ LYS A 59 -0.026 -8.445 12.846 1.00 0.00 N ATOM 0 H LYS A 59 -2.541 -10.159 8.152 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.536 -9.935 8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.494 -12.875 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.579 -11.631 10.292 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.412 -11.806 10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.150 -12.240 11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.697 -9.455 10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.070 -10.024 12.453 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.443 -10.493 12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.678 -9.602 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.934 -8.188 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.409 -7.694 12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.636 -8.558 13.681 1.00 0.00 H new ATOM 923 N GLU A 60 -0.288 -11.383 6.374 1.00 0.00 N ATOM 924 CA GLU A 60 0.520 -11.711 5.235 1.00 0.00 C ATOM 925 C GLU A 60 1.280 -10.488 4.805 1.00 0.00 C ATOM 926 O GLU A 60 0.700 -9.397 4.688 1.00 0.00 O ATOM 927 CB GLU A 60 -0.343 -12.233 4.079 1.00 0.00 C ATOM 928 CG GLU A 60 0.442 -12.592 2.813 1.00 0.00 C ATOM 929 CD GLU A 60 1.426 -13.724 3.020 1.00 0.00 C ATOM 930 OE1 GLU A 60 2.444 -13.537 3.702 1.00 0.00 O ATOM 931 OE2 GLU A 60 1.191 -14.833 2.500 1.00 0.00 O ATOM 0 H GLU A 60 -1.268 -11.194 6.163 1.00 0.00 H new ATOM 0 HA GLU A 60 1.218 -12.501 5.511 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.886 -13.116 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.087 -11.477 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.259 -12.868 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.981 -11.710 2.465 1.00 0.00 H new ATOM 938 N GLU A 61 2.549 -10.639 4.601 1.00 0.00 N ATOM 939 CA GLU A 61 3.337 -9.559 4.158 1.00 0.00 C ATOM 940 C GLU A 61 3.421 -9.666 2.678 1.00 0.00 C ATOM 941 O GLU A 61 3.779 -10.716 2.134 1.00 0.00 O ATOM 942 CB GLU A 61 4.709 -9.618 4.736 1.00 0.00 C ATOM 943 CG GLU A 61 5.474 -8.325 4.625 1.00 0.00 C ATOM 944 CD GLU A 61 6.758 -8.366 5.397 1.00 0.00 C ATOM 945 OE1 GLU A 61 7.764 -8.874 4.875 1.00 0.00 O ATOM 946 OE2 GLU A 61 6.777 -7.898 6.559 1.00 0.00 O ATOM 0 H GLU A 61 3.056 -11.513 4.739 1.00 0.00 H new ATOM 0 HA GLU A 61 2.889 -8.617 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.638 -9.898 5.787 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.271 -10.405 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.688 -8.119 3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.856 -7.505 4.992 1.00 0.00 H new ATOM 953 N TYR A 62 3.089 -8.631 2.038 1.00 0.00 N ATOM 954 CA TYR A 62 3.074 -8.604 0.634 1.00 0.00 C ATOM 955 C TYR A 62 4.431 -8.148 0.138 1.00 0.00 C ATOM 956 O TYR A 62 4.782 -6.966 0.220 1.00 0.00 O ATOM 957 CB TYR A 62 1.982 -7.684 0.197 1.00 0.00 C ATOM 958 CG TYR A 62 0.581 -8.114 0.624 1.00 0.00 C ATOM 959 CD1 TYR A 62 0.100 -9.390 0.348 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.252 -7.241 1.294 1.00 0.00 C ATOM 961 CE1 TYR A 62 -1.171 -9.770 0.725 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.527 -7.614 1.669 1.00 0.00 C ATOM 963 CZ TYR A 62 -1.981 -8.876 1.380 1.00 0.00 C ATOM 964 OH TYR A 62 -3.257 -9.245 1.745 1.00 0.00 O ATOM 0 H TYR A 62 2.812 -7.754 2.479 1.00 0.00 H new ATOM 0 HA TYR A 62 2.881 -9.592 0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.180 -6.690 0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.007 -7.601 -0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.733 -10.095 -0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.100 -6.248 1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.527 -10.766 0.506 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.165 -6.915 2.188 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.282 -10.209 1.918 1.00 0.00 H new ATOM 974 N THR A 63 5.201 -9.096 -0.295 1.00 0.00 N ATOM 975 CA THR A 63 6.548 -8.878 -0.726 1.00 0.00 C ATOM 976 C THR A 63 6.666 -8.828 -2.261 1.00 0.00 C ATOM 977 O THR A 63 7.629 -8.256 -2.814 1.00 0.00 O ATOM 978 CB THR A 63 7.438 -9.988 -0.134 1.00 0.00 C ATOM 979 OG1 THR A 63 6.809 -11.273 -0.360 1.00 0.00 O ATOM 980 CG2 THR A 63 7.614 -9.782 1.369 1.00 0.00 C ATOM 0 H THR A 63 4.903 -10.069 -0.361 1.00 0.00 H new ATOM 0 HA THR A 63 6.881 -7.905 -0.366 1.00 0.00 H new ATOM 0 HB THR A 63 8.414 -9.953 -0.617 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.372 -11.983 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.245 -10.574 1.773 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.083 -8.815 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.640 -9.810 1.857 1.00 0.00 H new ATOM 988 N ASP A 64 5.695 -9.420 -2.944 1.00 0.00 N ATOM 989 CA ASP A 64 5.684 -9.418 -4.397 1.00 0.00 C ATOM 990 C ASP A 64 4.687 -8.409 -4.843 1.00 0.00 C ATOM 991 O ASP A 64 3.654 -8.257 -4.216 1.00 0.00 O ATOM 992 CB ASP A 64 5.240 -10.745 -4.954 1.00 0.00 C ATOM 993 CG ASP A 64 5.701 -10.935 -6.373 1.00 0.00 C ATOM 994 OD1 ASP A 64 4.993 -10.473 -7.293 1.00 0.00 O ATOM 995 OD2 ASP A 64 6.738 -11.578 -6.590 1.00 0.00 O ATOM 0 H ASP A 64 4.908 -9.906 -2.515 1.00 0.00 H new ATOM 0 HA ASP A 64 6.694 -9.203 -4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.633 -11.550 -4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.153 -10.812 -4.913 1.00 0.00 H new ATOM 1000 N ASP A 65 4.926 -7.782 -5.950 1.00 0.00 N ATOM 1001 CA ASP A 65 4.045 -6.717 -6.407 1.00 0.00 C ATOM 1002 C ASP A 65 2.754 -7.250 -6.999 1.00 0.00 C ATOM 1003 O ASP A 65 1.817 -6.483 -7.271 1.00 0.00 O ATOM 1004 CB ASP A 65 4.736 -5.750 -7.369 1.00 0.00 C ATOM 1005 CG ASP A 65 5.873 -4.952 -6.765 1.00 0.00 C ATOM 1006 OD1 ASP A 65 6.653 -5.480 -5.962 1.00 0.00 O ATOM 1007 OD2 ASP A 65 5.993 -3.750 -7.070 1.00 0.00 O ATOM 0 H ASP A 65 5.717 -7.977 -6.564 1.00 0.00 H new ATOM 0 HA ASP A 65 3.784 -6.147 -5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.120 -6.317 -8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.992 -5.056 -7.760 1.00 0.00 H new ATOM 1012 N ASN A 66 2.694 -8.557 -7.158 1.00 0.00 N ATOM 1013 CA ASN A 66 1.516 -9.230 -7.692 1.00 0.00 C ATOM 1014 C ASN A 66 0.505 -9.438 -6.569 1.00 0.00 C ATOM 1015 O ASN A 66 -0.648 -9.813 -6.809 1.00 0.00 O ATOM 1016 CB ASN A 66 1.929 -10.599 -8.261 1.00 0.00 C ATOM 1017 CG ASN A 66 1.763 -11.755 -7.286 1.00 0.00 C ATOM 1018 OD1 ASN A 66 2.735 -11.940 -6.465 1.00 0.00 O flip ATOM 1019 ND2 ASN A 66 0.743 -12.443 -7.263 1.00 0.00 N flip ATOM 0 H ASN A 66 3.460 -9.188 -6.922 1.00 0.00 H new ATOM 0 HA ASN A 66 1.071 -8.623 -8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.337 -10.803 -9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.972 -10.550 -8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.007 -12.266 -7.931 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.648 -13.191 -6.576 1.00 0.00 H new ATOM 1026 N ALA A 67 0.957 -9.197 -5.341 1.00 0.00 N ATOM 1027 CA ALA A 67 0.133 -9.337 -4.172 1.00 0.00 C ATOM 1028 C ALA A 67 -1.023 -8.359 -4.259 1.00 0.00 C ATOM 1029 O ALA A 67 -0.857 -7.277 -4.754 1.00 0.00 O ATOM 1030 CB ALA A 67 0.968 -9.107 -2.942 1.00 0.00 C ATOM 0 H ALA A 67 1.912 -8.898 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.279 -10.344 -4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.345 -9.213 -2.054 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.775 -9.839 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.390 -8.102 -2.971 1.00 0.00 H new ATOM 1036 N LEU A 68 -2.180 -8.748 -3.843 1.00 0.00 N ATOM 1037 CA LEU A 68 -3.347 -7.909 -4.011 1.00 0.00 C ATOM 1038 C LEU A 68 -3.941 -7.511 -2.673 1.00 0.00 C ATOM 1039 O LEU A 68 -3.963 -8.319 -1.724 1.00 0.00 O ATOM 1040 CB LEU A 68 -4.373 -8.611 -4.915 1.00 0.00 C ATOM 1041 CG LEU A 68 -5.093 -9.816 -4.311 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -6.383 -9.387 -3.666 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -5.317 -10.913 -5.331 1.00 0.00 C ATOM 0 H LEU A 68 -2.357 -9.641 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.045 -6.983 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.123 -7.879 -5.215 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.864 -8.936 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.449 -10.237 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.884 -10.257 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.173 -8.667 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.028 -8.927 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.832 -11.750 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.925 -10.529 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.356 -11.251 -5.719 1.00 0.00 H new ATOM 1055 N ILE A 69 -4.345 -6.272 -2.547 1.00 0.00 N ATOM 1056 CA ILE A 69 -4.985 -5.837 -1.335 1.00 0.00 C ATOM 1057 C ILE A 69 -6.440 -5.438 -1.611 1.00 0.00 C ATOM 1058 O ILE A 69 -6.704 -4.523 -2.387 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.261 -4.649 -0.614 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -2.818 -4.983 -0.204 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.051 -4.205 0.603 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -1.796 -4.954 -1.321 1.00 0.00 C ATOM 0 H ILE A 69 -4.243 -5.553 -3.263 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.935 -6.693 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.209 -3.836 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.506 -4.279 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.808 -5.975 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.533 -3.379 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.044 -3.879 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.144 -5.038 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.813 -5.204 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.072 -5.680 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.766 -3.957 -1.761 1.00 0.00 H new ATOM 1074 N PRO A 70 -7.386 -6.165 -1.030 1.00 0.00 N ATOM 1075 CA PRO A 70 -8.802 -5.838 -1.116 1.00 0.00 C ATOM 1076 C PRO A 70 -9.235 -4.745 -0.148 1.00 0.00 C ATOM 1077 O PRO A 70 -8.651 -4.572 0.918 1.00 0.00 O ATOM 1078 CB PRO A 70 -9.494 -7.154 -0.774 1.00 0.00 C ATOM 1079 CG PRO A 70 -8.513 -7.906 0.062 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.147 -7.406 -0.282 1.00 0.00 C ATOM 0 HA PRO A 70 -9.053 -5.442 -2.100 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.423 -6.981 -0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.751 -7.710 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.720 -7.757 1.122 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.588 -8.976 -0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.555 -7.221 0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -6.598 -8.132 -0.882 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.298 -4.038 -0.530 1.00 0.00 N ATOM 1089 CA LYS A 71 -10.912 -2.968 0.288 1.00 0.00 C ATOM 1090 C LYS A 71 -11.409 -3.493 1.626 1.00 0.00 C ATOM 1091 O LYS A 71 -11.607 -2.742 2.573 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.090 -2.325 -0.468 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.020 -3.338 -1.123 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.333 -2.738 -1.610 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.245 -2.331 -0.451 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.534 -1.772 -0.915 1.00 0.00 N ATOM 0 H LYS A 71 -10.769 -4.186 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.138 -2.224 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.665 -1.712 0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.698 -1.656 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.506 -3.798 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.237 -4.133 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.125 -1.866 -2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.850 -3.461 -2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.435 -3.199 0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.734 -1.593 0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.136 -1.559 -0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.360 -0.899 -1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.013 -2.465 -1.525 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.607 -4.779 1.686 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.117 -5.436 2.873 1.00 0.00 C ATOM 1112 C ASN A 72 -11.025 -5.532 3.930 1.00 0.00 C ATOM 1113 O ASN A 72 -11.300 -5.666 5.127 1.00 0.00 O ATOM 1114 CB ASN A 72 -12.610 -6.842 2.509 1.00 0.00 C ATOM 1115 CG ASN A 72 -13.332 -7.539 3.648 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -12.726 -8.245 4.466 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -14.621 -7.363 3.697 1.00 0.00 N ATOM 0 H ASN A 72 -11.420 -5.414 0.910 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.946 -4.852 3.274 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.279 -6.774 1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.759 -7.450 2.202 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.170 -7.815 4.428 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.082 -6.773 3.004 1.00 0.00 H new ATOM 1124 N SER A 73 -9.803 -5.407 3.492 1.00 0.00 N ATOM 1125 CA SER A 73 -8.678 -5.594 4.345 1.00 0.00 C ATOM 1126 C SER A 73 -8.026 -4.276 4.746 1.00 0.00 C ATOM 1127 O SER A 73 -7.917 -3.341 3.950 1.00 0.00 O ATOM 1128 CB SER A 73 -7.669 -6.465 3.629 1.00 0.00 C ATOM 1129 OG SER A 73 -8.273 -7.682 3.222 1.00 0.00 O ATOM 0 H SER A 73 -9.566 -5.171 2.528 1.00 0.00 H new ATOM 0 HA SER A 73 -9.023 -6.071 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.275 -5.938 2.760 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.825 -6.672 4.287 1.00 0.00 H new ATOM 0 HG SER A 73 -7.603 -8.250 2.787 1.00 0.00 H new ATOM 1135 N SER A 74 -7.640 -4.201 5.988 1.00 0.00 N ATOM 1136 CA SER A 74 -6.857 -3.110 6.460 1.00 0.00 C ATOM 1137 C SER A 74 -5.404 -3.579 6.457 1.00 0.00 C ATOM 1138 O SER A 74 -5.091 -4.679 6.960 1.00 0.00 O ATOM 1139 CB SER A 74 -7.291 -2.703 7.864 1.00 0.00 C ATOM 1140 OG SER A 74 -8.700 -2.474 7.925 1.00 0.00 O ATOM 0 H SER A 74 -7.863 -4.899 6.698 1.00 0.00 H new ATOM 0 HA SER A 74 -6.984 -2.235 5.823 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.016 -3.484 8.573 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.760 -1.799 8.164 1.00 0.00 H new ATOM 0 HG SER A 74 -8.950 -2.216 8.837 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.544 -2.808 5.872 1.00 0.00 N ATOM 1147 CA VAL A 75 -3.161 -3.176 5.745 1.00 0.00 C ATOM 1148 C VAL A 75 -2.272 -2.098 6.356 1.00 0.00 C ATOM 1149 O VAL A 75 -2.729 -0.988 6.633 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.760 -3.450 4.256 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.534 -4.635 3.700 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.992 -2.234 3.369 1.00 0.00 C ATOM 0 H VAL A 75 -4.777 -1.902 5.466 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.015 -4.108 6.291 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.694 -3.676 4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.240 -4.808 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.315 -5.523 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.603 -4.424 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.700 -2.469 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.047 -1.963 3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.395 -1.398 3.734 1.00 0.00 H new ATOM 1162 N ILE A 76 -1.040 -2.425 6.596 1.00 0.00 N ATOM 1163 CA ILE A 76 -0.103 -1.496 7.164 1.00 0.00 C ATOM 1164 C ILE A 76 1.063 -1.318 6.218 1.00 0.00 C ATOM 1165 O ILE A 76 1.643 -2.296 5.723 1.00 0.00 O ATOM 1166 CB ILE A 76 0.357 -1.927 8.586 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.874 -1.982 9.509 1.00 0.00 C ATOM 1168 CG2 ILE A 76 1.417 -0.971 9.143 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.581 -2.299 10.951 1.00 0.00 C ATOM 0 H ILE A 76 -0.651 -3.348 6.404 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.598 -0.533 7.292 1.00 0.00 H new ATOM 0 HB ILE A 76 0.817 -2.914 8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.387 -1.021 9.462 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.565 -2.731 9.122 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.717 -1.300 10.138 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.286 -0.967 8.485 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.003 0.036 9.203 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.513 -2.314 11.517 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.099 -3.275 11.018 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.082 -1.538 11.363 1.00 0.00 H new ATOM 1181 N VAL A 77 1.379 -0.082 5.954 1.00 0.00 N ATOM 1182 CA VAL A 77 2.358 0.280 4.977 1.00 0.00 C ATOM 1183 C VAL A 77 3.673 0.665 5.646 1.00 0.00 C ATOM 1184 O VAL A 77 3.731 1.556 6.507 1.00 0.00 O ATOM 1185 CB VAL A 77 1.843 1.447 4.118 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.773 1.729 2.978 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.451 1.155 3.606 1.00 0.00 C ATOM 0 H VAL A 77 0.952 0.717 6.424 1.00 0.00 H new ATOM 0 HA VAL A 77 2.537 -0.583 4.336 1.00 0.00 H new ATOM 0 HB VAL A 77 1.802 2.336 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.384 2.559 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.757 1.991 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.856 0.843 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.103 1.992 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.469 0.250 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.224 1.012 4.450 1.00 0.00 H new ATOM 1197 N ARG A 78 4.701 0.001 5.246 1.00 0.00 N ATOM 1198 CA ARG A 78 6.019 0.168 5.772 1.00 0.00 C ATOM 1199 C ARG A 78 6.939 0.587 4.630 1.00 0.00 C ATOM 1200 O ARG A 78 6.748 0.167 3.502 1.00 0.00 O ATOM 1201 CB ARG A 78 6.448 -1.187 6.329 1.00 0.00 C ATOM 1202 CG ARG A 78 7.786 -1.239 7.034 1.00 0.00 C ATOM 1203 CD ARG A 78 8.102 -2.672 7.414 1.00 0.00 C ATOM 1204 NE ARG A 78 7.001 -3.293 8.173 1.00 0.00 N ATOM 1205 CZ ARG A 78 6.577 -4.559 8.009 1.00 0.00 C ATOM 1206 NH1 ARG A 78 7.180 -5.363 7.143 1.00 0.00 N ATOM 1207 NH2 ARG A 78 5.552 -5.010 8.710 1.00 0.00 N ATOM 0 H ARG A 78 4.648 -0.705 4.512 1.00 0.00 H new ATOM 0 HA ARG A 78 6.059 0.927 6.554 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.682 -1.526 7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.469 -1.902 5.506 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.567 -0.843 6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.764 -0.612 7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.295 -3.253 6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.014 -2.697 8.010 1.00 0.00 H new ATOM 0 HE ARG A 78 6.527 -2.722 8.872 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.971 -5.022 6.596 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.853 -6.322 7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.081 -4.398 9.376 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.231 -5.970 8.585 1.00 0.00 H new ATOM 1221 N ARG A 79 7.896 1.414 4.904 1.00 0.00 N ATOM 1222 CA ARG A 79 8.844 1.829 3.886 1.00 0.00 C ATOM 1223 C ARG A 79 10.126 1.028 4.074 1.00 0.00 C ATOM 1224 O ARG A 79 10.681 1.009 5.178 1.00 0.00 O ATOM 1225 CB ARG A 79 9.135 3.324 4.018 1.00 0.00 C ATOM 1226 CG ARG A 79 10.166 3.849 3.042 1.00 0.00 C ATOM 1227 CD ARG A 79 10.589 5.265 3.397 1.00 0.00 C ATOM 1228 NE ARG A 79 9.603 6.309 3.057 1.00 0.00 N ATOM 1229 CZ ARG A 79 8.976 7.113 3.941 1.00 0.00 C ATOM 1230 NH1 ARG A 79 8.882 6.770 5.226 1.00 0.00 N ATOM 1231 NH2 ARG A 79 8.389 8.230 3.519 1.00 0.00 N ATOM 0 H ARG A 79 8.053 1.824 5.824 1.00 0.00 H new ATOM 0 HA ARG A 79 8.431 1.648 2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.206 3.876 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.477 3.527 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.038 3.195 3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.756 3.832 2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.792 5.311 4.467 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.525 5.489 2.885 1.00 0.00 H new ATOM 0 HE ARG A 79 9.376 6.433 2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.286 5.892 5.550 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.406 7.386 5.885 1.00 0.00 H new ATOM 0 HH21 ARG A 79 8.414 8.477 2.530 1.00 0.00 H new ATOM 0 HH22 ARG A 79 7.914 8.840 4.185 1.00 0.00 H new ATOM 1245 N ILE A 80 10.589 0.360 3.028 1.00 0.00 N ATOM 1246 CA ILE A 80 11.785 -0.463 3.127 1.00 0.00 C ATOM 1247 C ILE A 80 12.770 -0.127 2.008 1.00 0.00 C ATOM 1248 O ILE A 80 12.377 0.419 0.994 1.00 0.00 O ATOM 1249 CB ILE A 80 11.440 -2.007 3.142 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.726 -2.503 1.876 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.628 -2.386 4.358 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.647 -2.890 0.751 1.00 0.00 C ATOM 0 H ILE A 80 10.157 0.371 2.104 1.00 0.00 H new ATOM 0 HA ILE A 80 12.262 -0.233 4.080 1.00 0.00 H new ATOM 0 HB ILE A 80 12.410 -2.504 3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.109 -3.363 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.052 -1.722 1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.411 -3.454 4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.193 -2.152 5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.693 -1.826 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.058 -3.228 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.247 -2.028 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.304 -3.695 1.080 1.00 0.00 H new ATOM 1264 N PRO A 81 14.058 -0.397 2.187 1.00 0.00 N ATOM 1265 CA PRO A 81 15.051 -0.194 1.127 1.00 0.00 C ATOM 1266 C PRO A 81 14.949 -1.313 0.079 1.00 0.00 C ATOM 1267 O PRO A 81 14.726 -2.471 0.435 1.00 0.00 O ATOM 1268 CB PRO A 81 16.376 -0.300 1.889 1.00 0.00 C ATOM 1269 CG PRO A 81 16.070 -1.239 3.001 1.00 0.00 C ATOM 1270 CD PRO A 81 14.680 -0.903 3.434 1.00 0.00 C ATOM 0 HA PRO A 81 14.929 0.745 0.587 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.175 -0.680 1.252 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.702 0.671 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.139 -2.275 2.670 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.777 -1.119 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.155 -1.776 3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.673 -0.151 4.223 1.00 0.00 H new ATOM 1278 N ILE A 82 15.092 -0.984 -1.194 1.00 0.00 N ATOM 1279 CA ILE A 82 15.046 -2.010 -2.230 1.00 0.00 C ATOM 1280 C ILE A 82 16.231 -2.952 -2.081 1.00 0.00 C ATOM 1281 O ILE A 82 16.070 -4.175 -2.088 1.00 0.00 O ATOM 1282 CB ILE A 82 14.996 -1.445 -3.694 1.00 0.00 C ATOM 1283 CG1 ILE A 82 16.067 -0.373 -3.941 1.00 0.00 C ATOM 1284 CG2 ILE A 82 13.620 -0.922 -4.036 1.00 0.00 C ATOM 1285 CD1 ILE A 82 16.163 0.103 -5.375 1.00 0.00 C ATOM 0 H ILE A 82 15.238 -0.034 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 82 14.108 -2.545 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 82 15.217 -2.280 -4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 82 15.859 0.484 -3.301 1.00 0.00 H new ATOM 0 HG13 ILE A 82 17.036 -0.770 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.620 -0.538 -5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.893 -1.729 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 82 13.354 -0.121 -3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 82 16.944 0.859 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 82 16.404 -0.740 -6.023 1.00 0.00 H new ATOM 0 HD13 ILE A 82 15.209 0.533 -5.680 1.00 0.00 H new ATOM 1297 N GLY A 83 17.413 -2.358 -1.877 1.00 0.00 N ATOM 1298 CA GLY A 83 18.641 -3.108 -1.753 1.00 0.00 C ATOM 1299 C GLY A 83 18.841 -4.046 -2.916 1.00 0.00 C ATOM 1300 O GLY A 83 19.179 -5.208 -2.732 1.00 0.00 O ATOM 0 H GLY A 83 17.531 -1.348 -1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 83 19.484 -2.419 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 83 18.627 -3.678 -0.824 1.00 0.00 H new ATOM 1304 N GLY A 84 18.589 -3.558 -4.101 1.00 0.00 N ATOM 1305 CA GLY A 84 18.705 -4.370 -5.268 1.00 0.00 C ATOM 1306 C GLY A 84 18.862 -3.531 -6.487 1.00 0.00 C ATOM 1307 O GLY A 84 18.215 -2.477 -6.611 1.00 0.00 O ATOM 0 H GLY A 84 18.301 -2.596 -4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.562 -5.037 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.821 -5.000 -5.367 1.00 0.00 H new ATOM 1311 N VAL A 85 19.717 -3.950 -7.370 1.00 0.00 N ATOM 1312 CA VAL A 85 19.950 -3.230 -8.585 1.00 0.00 C ATOM 1313 C VAL A 85 19.188 -3.857 -9.744 1.00 0.00 C ATOM 1314 O VAL A 85 19.524 -4.933 -10.246 1.00 0.00 O ATOM 1315 CB VAL A 85 21.466 -3.033 -8.904 1.00 0.00 C ATOM 1316 CG1 VAL A 85 22.097 -2.130 -7.866 1.00 0.00 C ATOM 1317 CG2 VAL A 85 22.226 -4.355 -8.965 1.00 0.00 C ATOM 0 H VAL A 85 20.272 -4.800 -7.269 1.00 0.00 H new ATOM 0 HA VAL A 85 19.558 -2.224 -8.436 1.00 0.00 H new ATOM 0 HB VAL A 85 21.531 -2.574 -9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 85 23.154 -1.997 -8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 85 21.599 -1.161 -7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 85 21.993 -2.582 -6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 85 23.275 -4.162 -9.190 1.00 0.00 H new ATOM 0 HG22 VAL A 85 22.149 -4.864 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 85 21.798 -4.985 -9.745 1.00 0.00 H new ATOM 1327 N LYS A 86 18.133 -3.213 -10.116 1.00 0.00 N ATOM 1328 CA LYS A 86 17.292 -3.679 -11.171 1.00 0.00 C ATOM 1329 C LYS A 86 17.064 -2.548 -12.158 1.00 0.00 C ATOM 1330 O LYS A 86 16.001 -1.928 -12.157 1.00 0.00 O ATOM 1331 CB LYS A 86 15.977 -4.244 -10.588 1.00 0.00 C ATOM 1332 CG LYS A 86 15.278 -3.312 -9.604 1.00 0.00 C ATOM 1333 CD LYS A 86 14.002 -3.914 -9.066 1.00 0.00 C ATOM 1334 CE LYS A 86 13.277 -2.937 -8.161 1.00 0.00 C ATOM 1335 NZ LYS A 86 12.934 -1.682 -8.866 1.00 0.00 N ATOM 1336 OXT LYS A 86 18.013 -2.215 -12.889 1.00 0.00 O ATOM 0 H LYS A 86 17.825 -2.338 -9.692 1.00 0.00 H new ATOM 0 HA LYS A 86 17.769 -4.497 -11.711 1.00 0.00 H new ATOM 0 HB2 LYS A 86 15.295 -4.466 -11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.191 -5.188 -10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 86 15.951 -3.088 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.053 -2.366 -10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.353 -4.198 -9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.231 -4.825 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.366 -3.401 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.902 -2.709 -7.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.959 -1.407 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.587 -0.928 -8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.014 -1.827 -9.893 1.00 0.00 H new TER 1350 LYS A 86