USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 850 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 10 SER OG : rot -117:sc= 0.414 USER MOD Set 1.2: A 16 THR OG1 : rot 160:sc= 0.542 USER MOD Set 1.3: A 84 TYR OH : rot -42:sc= 1.94 USER MOD Set 2.1: A 62 TYR OH : rot 180:sc=-0.000209 USER MOD Set 2.2: A 63 MET CE :methyl 142:sc= -2.41 (180deg=-7.86!) USER MOD Set 3.1: A 11 SER OG : rot -100:sc=-0.00844 USER MOD Set 3.2: A 59 GLN : amide:sc= 0 X(o=-0.0084,f=0.035) USER MOD Set 4.1: A 49 GLN : amide:sc= -4.15 K(o=-6,f=-8.1!) USER MOD Set 4.2: A 50 ASN : amide:sc= -1.86 K(o=-6,f=-8.1!) USER MOD Set 5.1: A 26 GLN : amide:sc= -9.86! C(o=-10!,f=-12!) USER MOD Set 5.2: A 30 TYR OH : rot 72:sc= -0.42 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0905 (180deg=-0.289) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 1.04 (180deg=0.434) USER MOD Single : A 5 HIS : no HE2:sc= -6.64! C(o=-6.6!,f=-7.6!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -102:sc= 0.154 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 110:sc= -2.8! USER MOD Single : A 22 LYS NZ :NH3+ -124:sc= -0.642 (180deg=-1.04) USER MOD Single : A 23 MET CE :methyl -125:sc= -10.1! (180deg=-16.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 170:sc= -6.03! USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0501) USER MOD Single : A 68 GLN : amide:sc= 0.144 X(o=0.14,f=-0.072) USER MOD Single : A 73 ASN : amide:sc= -0.0356 K(o=-0.036,f=-0.55) USER MOD Single : A 74 LYS NZ :NH3+ 150:sc= -0.289 (180deg=-1.52) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.814 16.722 5.839 1.00 0.00 N ATOM 2 CA MET A 1 9.146 16.780 4.510 1.00 0.00 C ATOM 3 C MET A 1 8.780 15.313 4.060 1.00 0.00 C ATOM 4 O MET A 1 7.672 15.021 3.738 1.00 0.00 O ATOM 5 CB MET A 1 10.028 17.427 3.440 1.00 0.00 C ATOM 6 CG MET A 1 11.207 18.211 4.005 1.00 0.00 C ATOM 7 SD MET A 1 12.152 19.158 2.728 1.00 0.00 S ATOM 8 CE MET A 1 13.346 17.931 2.231 1.00 0.00 C ATOM 0 H1 MET A 1 9.907 17.684 6.223 1.00 0.00 H new ATOM 0 H2 MET A 1 9.244 16.144 6.489 1.00 0.00 H new ATOM 0 H3 MET A 1 10.758 16.298 5.735 1.00 0.00 H new ATOM 0 HA MET A 1 8.252 17.395 4.613 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.406 16.650 2.775 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.416 18.095 2.834 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.841 18.905 4.762 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.884 17.520 4.507 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.996 18.347 1.461 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.946 17.637 3.092 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.827 17.058 1.835 1.00 0.00 H new ATOM 18 N GLU A 2 9.878 14.515 3.994 1.00 0.00 N ATOM 19 CA GLU A 2 9.890 13.180 3.335 1.00 0.00 C ATOM 20 C GLU A 2 9.601 12.057 4.398 1.00 0.00 C ATOM 21 O GLU A 2 10.510 11.560 5.008 1.00 0.00 O ATOM 22 CB GLU A 2 11.292 12.926 2.750 1.00 0.00 C ATOM 23 CG GLU A 2 11.329 11.827 1.698 1.00 0.00 C ATOM 24 CD GLU A 2 10.008 11.127 1.406 1.00 0.00 C ATOM 25 OE1 GLU A 2 8.933 11.755 1.389 1.00 0.00 O ATOM 26 OE2 GLU A 2 10.093 9.868 1.118 1.00 0.00 O ATOM 0 H GLU A 2 10.778 14.778 4.395 1.00 0.00 H new ATOM 0 HA GLU A 2 9.130 13.161 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.664 13.851 2.309 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.972 12.663 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.702 12.256 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.052 11.075 2.014 1.00 0.00 H new ATOM 33 N LYS A 3 8.287 11.822 4.614 1.00 0.00 N ATOM 34 CA LYS A 3 7.862 11.053 5.876 1.00 0.00 C ATOM 35 C LYS A 3 6.369 10.917 5.969 1.00 0.00 C ATOM 36 O LYS A 3 5.603 11.864 6.128 1.00 0.00 O ATOM 37 CB LYS A 3 8.560 11.628 7.062 1.00 0.00 C ATOM 38 CG LYS A 3 7.723 12.164 8.191 1.00 0.00 C ATOM 39 CD LYS A 3 8.210 11.822 9.620 1.00 0.00 C ATOM 40 CE LYS A 3 8.870 10.471 9.725 1.00 0.00 C ATOM 41 NZ LYS A 3 10.294 10.615 10.157 1.00 0.00 N ATOM 0 H LYS A 3 7.528 12.116 4.000 1.00 0.00 H new ATOM 0 HA LYS A 3 8.188 10.014 5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.213 10.857 7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.201 12.436 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.672 13.249 8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.707 11.786 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.913 12.587 9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.361 11.856 10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.329 9.850 10.439 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.826 9.962 8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.733 9.675 10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.811 11.190 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.329 11.081 11.086 1.00 0.00 H new ATOM 55 N LYS A 4 5.868 9.639 5.780 1.00 0.00 N ATOM 56 CA LYS A 4 4.486 9.369 5.458 1.00 0.00 C ATOM 57 C LYS A 4 4.073 7.909 5.402 1.00 0.00 C ATOM 58 O LYS A 4 4.825 7.014 4.986 1.00 0.00 O ATOM 59 CB LYS A 4 3.849 10.237 4.401 1.00 0.00 C ATOM 60 CG LYS A 4 4.611 10.281 3.092 1.00 0.00 C ATOM 61 CD LYS A 4 5.469 9.082 2.743 1.00 0.00 C ATOM 62 CE LYS A 4 6.960 9.356 3.032 1.00 0.00 C ATOM 63 NZ LYS A 4 7.810 8.693 2.010 1.00 0.00 N ATOM 0 H LYS A 4 6.442 8.799 5.855 1.00 0.00 H new ATOM 0 HA LYS A 4 4.018 9.725 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.839 9.874 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.755 11.252 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.890 10.425 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.253 11.162 3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.138 8.216 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.340 8.834 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.147 10.430 3.030 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.219 8.989 4.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.778 9.069 2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.826 7.668 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.422 8.878 1.063 1.00 0.00 H new ATOM 77 N HIS A 5 2.838 7.619 5.901 1.00 0.00 N ATOM 78 CA HIS A 5 2.180 6.344 6.008 1.00 0.00 C ATOM 79 C HIS A 5 1.654 5.785 4.661 1.00 0.00 C ATOM 80 O HIS A 5 0.779 6.349 4.011 1.00 0.00 O ATOM 81 CB HIS A 5 1.013 6.423 7.049 1.00 0.00 C ATOM 82 CG HIS A 5 1.256 7.349 8.241 1.00 0.00 C ATOM 83 ND1 HIS A 5 0.683 8.546 8.499 1.00 0.00 N ATOM 84 CD2 HIS A 5 2.194 7.144 9.205 1.00 0.00 C ATOM 85 CE1 HIS A 5 1.229 9.039 9.634 1.00 0.00 C ATOM 86 NE2 HIS A 5 1.948 8.044 10.188 1.00 0.00 N ATOM 0 H HIS A 5 2.246 8.365 6.266 1.00 0.00 H new ATOM 0 HA HIS A 5 2.943 5.643 6.347 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.111 6.752 6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.816 5.419 7.425 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -0.036 8.999 7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 5 2.983 6.406 9.190 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.111 10.040 10.022 1.00 0.00 H new ATOM 94 N ILE A 6 2.203 4.626 4.283 1.00 0.00 N ATOM 95 CA ILE A 6 1.806 3.701 3.204 1.00 0.00 C ATOM 96 C ILE A 6 1.335 2.351 3.836 1.00 0.00 C ATOM 97 O ILE A 6 2.097 1.638 4.458 1.00 0.00 O ATOM 98 CB ILE A 6 3.059 3.458 2.257 1.00 0.00 C ATOM 99 CG1 ILE A 6 3.689 4.807 1.858 1.00 0.00 C ATOM 100 CG2 ILE A 6 2.789 2.509 1.130 1.00 0.00 C ATOM 101 CD1 ILE A 6 4.605 4.818 0.639 1.00 0.00 C ATOM 0 H ILE A 6 3.023 4.271 4.774 1.00 0.00 H new ATOM 0 HA ILE A 6 0.988 4.123 2.620 1.00 0.00 H new ATOM 0 HB ILE A 6 3.821 2.921 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.881 5.517 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.257 5.179 2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.690 2.394 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.495 1.540 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.985 2.902 0.508 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.977 5.829 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.445 4.145 0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.048 4.488 -0.238 1.00 0.00 H new ATOM 113 N TYR A 7 0.007 2.096 3.663 1.00 0.00 N ATOM 114 CA TYR A 7 -0.697 0.899 4.114 1.00 0.00 C ATOM 115 C TYR A 7 -1.195 0.018 2.970 1.00 0.00 C ATOM 116 O TYR A 7 -1.762 0.444 1.965 1.00 0.00 O ATOM 117 CB TYR A 7 -1.799 1.214 5.152 1.00 0.00 C ATOM 118 CG TYR A 7 -1.289 2.096 6.313 1.00 0.00 C ATOM 119 CD1 TYR A 7 -0.330 1.613 7.227 1.00 0.00 C ATOM 120 CD2 TYR A 7 -1.776 3.402 6.375 1.00 0.00 C ATOM 121 CE1 TYR A 7 -0.041 2.381 8.375 1.00 0.00 C ATOM 122 CE2 TYR A 7 -1.441 4.189 7.476 1.00 0.00 C ATOM 123 CZ TYR A 7 -0.654 3.638 8.517 1.00 0.00 C ATOM 124 OH TYR A 7 -0.496 4.340 9.654 1.00 0.00 O ATOM 0 H TYR A 7 -0.609 2.754 3.186 1.00 0.00 H new ATOM 0 HA TYR A 7 0.050 0.299 4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -2.627 1.718 4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.190 0.280 5.555 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.173 0.674 7.052 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.400 3.795 5.586 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.637 2.011 9.129 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.780 5.213 7.535 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.985 5.187 9.586 1.00 0.00 H new ATOM 134 N LEU A 8 -0.968 -1.312 3.164 1.00 0.00 N ATOM 135 CA LEU A 8 -1.198 -2.427 2.249 1.00 0.00 C ATOM 136 C LEU A 8 -2.358 -3.316 2.733 1.00 0.00 C ATOM 137 O LEU A 8 -2.190 -4.135 3.648 1.00 0.00 O ATOM 138 CB LEU A 8 0.128 -3.276 2.299 1.00 0.00 C ATOM 139 CG LEU A 8 1.382 -2.513 1.742 1.00 0.00 C ATOM 140 CD1 LEU A 8 2.635 -3.394 1.642 1.00 0.00 C ATOM 141 CD2 LEU A 8 0.979 -1.960 0.304 1.00 0.00 C ATOM 0 H LEU A 8 -0.585 -1.642 4.050 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.450 -2.065 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.321 -3.573 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.015 -4.192 1.725 1.00 0.00 H new ATOM 0 HG LEU A 8 1.647 -1.712 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.464 -2.805 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.894 -3.772 2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.438 -4.232 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.822 -1.419 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.713 -2.794 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.126 -1.287 0.399 1.00 0.00 H new ATOM 153 N PHE A 9 -3.562 -3.070 2.190 1.00 0.00 N ATOM 154 CA PHE A 9 -4.890 -3.647 2.679 1.00 0.00 C ATOM 155 C PHE A 9 -5.211 -4.797 1.701 1.00 0.00 C ATOM 156 O PHE A 9 -5.480 -4.533 0.529 1.00 0.00 O ATOM 157 CB PHE A 9 -5.902 -2.469 2.524 1.00 0.00 C ATOM 158 CG PHE A 9 -5.562 -1.237 3.420 1.00 0.00 C ATOM 159 CD1 PHE A 9 -5.881 -1.314 4.788 1.00 0.00 C ATOM 160 CD2 PHE A 9 -4.958 -0.085 2.902 1.00 0.00 C ATOM 161 CE1 PHE A 9 -5.353 -0.372 5.677 1.00 0.00 C ATOM 162 CE2 PHE A 9 -4.668 0.993 3.737 1.00 0.00 C ATOM 163 CZ PHE A 9 -4.836 0.837 5.138 1.00 0.00 C ATOM 0 H PHE A 9 -3.675 -2.457 1.383 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.902 -4.023 3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.925 -2.155 1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.902 -2.824 2.772 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.531 -2.097 5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.716 -0.031 1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.339 -0.558 6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.322 1.930 3.326 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.568 1.646 5.801 1.00 0.00 H new ATOM 173 N SER A 10 -4.974 -6.084 2.103 1.00 0.00 N ATOM 174 CA SER A 10 -4.522 -7.163 1.233 1.00 0.00 C ATOM 175 C SER A 10 -5.400 -8.418 1.318 1.00 0.00 C ATOM 176 O SER A 10 -6.250 -8.584 2.152 1.00 0.00 O ATOM 177 CB SER A 10 -3.056 -7.506 1.578 1.00 0.00 C ATOM 178 OG SER A 10 -2.333 -7.751 0.359 1.00 0.00 O ATOM 0 H SER A 10 -5.102 -6.383 3.070 1.00 0.00 H new ATOM 0 HA SER A 10 -4.600 -6.811 0.205 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.597 -6.685 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.016 -8.384 2.222 1.00 0.00 H new ATOM 0 HG SER A 10 -2.015 -8.678 0.348 1.00 0.00 H new ATOM 184 N SER A 11 -5.066 -9.375 0.356 1.00 0.00 N ATOM 185 CA SER A 11 -5.945 -10.492 -0.035 1.00 0.00 C ATOM 186 C SER A 11 -5.524 -11.835 0.544 1.00 0.00 C ATOM 187 O SER A 11 -6.309 -12.613 1.087 1.00 0.00 O ATOM 188 CB SER A 11 -5.969 -10.550 -1.579 1.00 0.00 C ATOM 189 OG SER A 11 -5.494 -11.816 -2.074 1.00 0.00 O ATOM 0 H SER A 11 -4.179 -9.365 -0.147 1.00 0.00 H new ATOM 0 HA SER A 11 -6.938 -10.304 0.374 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.986 -10.379 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.352 -9.747 -1.983 1.00 0.00 H new ATOM 0 HG SER A 11 -4.562 -11.725 -2.364 1.00 0.00 H new ATOM 195 N ALA A 12 -4.186 -12.117 0.431 1.00 0.00 N ATOM 196 CA ALA A 12 -3.546 -13.380 0.525 1.00 0.00 C ATOM 197 C ALA A 12 -2.481 -13.518 1.630 1.00 0.00 C ATOM 198 O ALA A 12 -1.404 -14.058 1.407 1.00 0.00 O ATOM 199 CB ALA A 12 -2.962 -13.888 -0.803 1.00 0.00 C ATOM 0 H ALA A 12 -3.511 -11.372 0.258 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.384 -14.015 0.813 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.491 -14.858 -0.646 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.761 -13.988 -1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.219 -13.179 -1.169 1.00 0.00 H new ATOM 205 N GLY A 13 -2.776 -12.980 2.835 1.00 0.00 N ATOM 206 CA GLY A 13 -1.877 -12.920 3.999 1.00 0.00 C ATOM 207 C GLY A 13 -0.583 -13.698 3.858 1.00 0.00 C ATOM 208 O GLY A 13 -0.589 -14.962 3.919 1.00 0.00 O ATOM 0 H GLY A 13 -3.686 -12.560 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.634 -11.876 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.413 -13.293 4.871 1.00 0.00 H new ATOM 212 N MET A 14 0.560 -13.013 3.616 1.00 0.00 N ATOM 213 CA MET A 14 1.908 -13.545 3.438 1.00 0.00 C ATOM 214 C MET A 14 2.341 -13.539 1.969 1.00 0.00 C ATOM 215 O MET A 14 3.294 -14.176 1.534 1.00 0.00 O ATOM 216 CB MET A 14 2.128 -14.869 4.128 1.00 0.00 C ATOM 217 CG MET A 14 2.820 -14.725 5.490 1.00 0.00 C ATOM 218 SD MET A 14 2.141 -15.866 6.780 1.00 0.00 S ATOM 219 CE MET A 14 2.992 -15.210 8.227 1.00 0.00 C ATOM 0 H MET A 14 0.549 -11.996 3.536 1.00 0.00 H new ATOM 0 HA MET A 14 2.578 -12.856 3.952 1.00 0.00 H new ATOM 0 HB2 MET A 14 1.167 -15.366 4.265 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.731 -15.512 3.486 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.886 -14.917 5.370 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.718 -13.696 5.835 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.702 -15.781 9.109 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.069 -15.288 8.082 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.720 -14.164 8.366 1.00 0.00 H new ATOM 229 N SER A 15 1.528 -12.796 1.149 1.00 0.00 N ATOM 230 CA SER A 15 2.048 -12.075 -0.052 1.00 0.00 C ATOM 231 C SER A 15 2.230 -10.574 0.249 1.00 0.00 C ATOM 232 O SER A 15 2.512 -9.744 -0.614 1.00 0.00 O ATOM 233 CB SER A 15 1.068 -12.273 -1.194 1.00 0.00 C ATOM 234 OG SER A 15 1.514 -11.635 -2.404 1.00 0.00 O ATOM 0 H SER A 15 0.525 -12.685 1.299 1.00 0.00 H new ATOM 0 HA SER A 15 3.023 -12.477 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.933 -13.339 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.095 -11.872 -0.910 1.00 0.00 H new ATOM 0 HG SER A 15 1.027 -10.794 -2.529 1.00 0.00 H new ATOM 240 N THR A 16 2.082 -10.248 1.555 1.00 0.00 N ATOM 241 CA THR A 16 1.796 -8.925 2.160 1.00 0.00 C ATOM 242 C THR A 16 2.918 -8.486 3.115 1.00 0.00 C ATOM 243 O THR A 16 3.850 -7.766 2.739 1.00 0.00 O ATOM 244 CB THR A 16 0.471 -8.886 2.936 1.00 0.00 C ATOM 245 OG1 THR A 16 -0.609 -9.496 2.137 1.00 0.00 O ATOM 246 CG2 THR A 16 0.115 -7.507 3.455 1.00 0.00 C ATOM 0 H THR A 16 2.167 -10.966 2.275 1.00 0.00 H new ATOM 0 HA THR A 16 1.725 -8.241 1.315 1.00 0.00 H new ATOM 0 HB THR A 16 0.604 -9.487 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.346 -9.757 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.832 -7.554 3.993 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.898 -7.158 4.129 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.023 -6.816 2.617 1.00 0.00 H new ATOM 254 N SER A 17 2.780 -8.944 4.383 1.00 0.00 N ATOM 255 CA SER A 17 3.455 -8.360 5.558 1.00 0.00 C ATOM 256 C SER A 17 4.916 -7.950 5.252 1.00 0.00 C ATOM 257 O SER A 17 5.322 -6.807 5.546 1.00 0.00 O ATOM 258 CB SER A 17 3.344 -9.339 6.710 1.00 0.00 C ATOM 259 OG SER A 17 4.513 -9.346 7.555 1.00 0.00 O ATOM 0 H SER A 17 2.188 -9.741 4.617 1.00 0.00 H new ATOM 0 HA SER A 17 2.960 -7.430 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.469 -9.088 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.182 -10.342 6.314 1.00 0.00 H new ATOM 0 HG SER A 17 4.388 -9.992 8.281 1.00 0.00 H new ATOM 265 N LEU A 18 5.681 -8.895 4.652 1.00 0.00 N ATOM 266 CA LEU A 18 7.123 -8.828 4.365 1.00 0.00 C ATOM 267 C LEU A 18 7.359 -7.845 3.195 1.00 0.00 C ATOM 268 O LEU A 18 8.497 -7.410 2.944 1.00 0.00 O ATOM 269 CB LEU A 18 7.528 -10.252 3.936 1.00 0.00 C ATOM 270 CG LEU A 18 8.977 -10.691 4.031 1.00 0.00 C ATOM 271 CD1 LEU A 18 9.604 -11.198 2.684 1.00 0.00 C ATOM 272 CD2 LEU A 18 9.894 -9.729 4.784 1.00 0.00 C ATOM 0 H LEU A 18 5.276 -9.777 4.339 1.00 0.00 H new ATOM 0 HA LEU A 18 7.700 -8.487 5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.939 -10.949 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.219 -10.378 2.898 1.00 0.00 H new ATOM 0 HG LEU A 18 8.911 -11.575 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.641 -11.489 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.040 -12.057 2.321 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.567 -10.400 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.908 -10.129 4.799 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.893 -8.760 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.536 -9.611 5.807 1.00 0.00 H new ATOM 284 N LEU A 19 6.300 -7.546 2.421 1.00 0.00 N ATOM 285 CA LEU A 19 6.265 -6.628 1.262 1.00 0.00 C ATOM 286 C LEU A 19 6.060 -5.177 1.788 1.00 0.00 C ATOM 287 O LEU A 19 6.540 -4.234 1.174 1.00 0.00 O ATOM 288 CB LEU A 19 5.084 -7.070 0.395 1.00 0.00 C ATOM 289 CG LEU A 19 3.968 -6.114 0.001 1.00 0.00 C ATOM 290 CD1 LEU A 19 4.446 -4.747 -0.534 1.00 0.00 C ATOM 291 CD2 LEU A 19 2.967 -6.804 -1.001 1.00 0.00 C ATOM 0 H LEU A 19 5.387 -7.964 2.597 1.00 0.00 H new ATOM 0 HA LEU A 19 7.187 -6.651 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.504 -7.461 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.613 -7.907 0.910 1.00 0.00 H new ATOM 0 HG LEU A 19 3.445 -5.882 0.929 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.582 -4.134 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.036 -4.243 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.058 -4.898 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.178 -6.101 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.503 -7.107 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.526 -7.682 -0.528 1.00 0.00 H new ATOM 303 N VAL A 20 5.321 -5.030 2.930 1.00 0.00 N ATOM 304 CA VAL A 20 5.403 -3.831 3.796 1.00 0.00 C ATOM 305 C VAL A 20 6.877 -3.793 4.361 1.00 0.00 C ATOM 306 O VAL A 20 7.621 -2.860 4.130 1.00 0.00 O ATOM 307 CB VAL A 20 4.350 -3.954 4.898 1.00 0.00 C ATOM 308 CG1 VAL A 20 4.888 -3.808 6.348 1.00 0.00 C ATOM 309 CG2 VAL A 20 3.158 -2.950 4.699 1.00 0.00 C ATOM 0 H VAL A 20 4.663 -5.734 3.265 1.00 0.00 H new ATOM 0 HA VAL A 20 5.199 -2.901 3.265 1.00 0.00 H new ATOM 0 HB VAL A 20 4.001 -4.981 4.789 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.064 -3.911 7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.630 -4.583 6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.349 -2.827 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.437 -3.076 5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.538 -1.928 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.671 -3.148 3.744 1.00 0.00 H new ATOM 319 N SER A 21 7.158 -4.841 5.179 1.00 0.00 N ATOM 320 CA SER A 21 8.259 -4.796 6.182 1.00 0.00 C ATOM 321 C SER A 21 9.609 -4.465 5.421 1.00 0.00 C ATOM 322 O SER A 21 10.514 -3.906 5.989 1.00 0.00 O ATOM 323 CB SER A 21 8.428 -6.211 6.782 1.00 0.00 C ATOM 324 OG SER A 21 9.075 -7.073 5.779 1.00 0.00 O ATOM 0 H SER A 21 6.643 -5.721 5.166 1.00 0.00 H new ATOM 0 HA SER A 21 8.036 -4.056 6.951 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.031 -6.168 7.689 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.458 -6.621 7.064 1.00 0.00 H new ATOM 0 HG SER A 21 9.988 -7.282 6.067 1.00 0.00 H new ATOM 330 N LYS A 22 9.603 -4.876 4.127 1.00 0.00 N ATOM 331 CA LYS A 22 10.780 -4.703 3.233 1.00 0.00 C ATOM 332 C LYS A 22 10.646 -3.367 2.501 1.00 0.00 C ATOM 333 O LYS A 22 11.640 -2.724 2.163 1.00 0.00 O ATOM 334 CB LYS A 22 11.040 -5.886 2.349 1.00 0.00 C ATOM 335 CG LYS A 22 11.541 -5.527 0.956 1.00 0.00 C ATOM 336 CD LYS A 22 12.015 -6.659 0.055 1.00 0.00 C ATOM 337 CE LYS A 22 11.066 -7.855 0.140 1.00 0.00 C ATOM 338 NZ LYS A 22 11.778 -9.004 0.763 1.00 0.00 N ATOM 0 H LYS A 22 8.804 -5.326 3.681 1.00 0.00 H new ATOM 0 HA LYS A 22 11.688 -4.662 3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.774 -6.532 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.121 -6.464 2.254 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.739 -5.001 0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.365 -4.822 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.074 -6.309 -0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.020 -6.965 0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.186 -7.595 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.714 -8.127 -0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.737 -9.825 0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.771 -8.746 0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.324 -9.245 1.667 1.00 0.00 H new ATOM 352 N MET A 23 9.362 -2.997 2.207 1.00 0.00 N ATOM 353 CA MET A 23 8.995 -1.631 1.730 1.00 0.00 C ATOM 354 C MET A 23 9.517 -0.561 2.676 1.00 0.00 C ATOM 355 O MET A 23 10.026 0.480 2.312 1.00 0.00 O ATOM 356 CB MET A 23 7.470 -1.527 1.598 1.00 0.00 C ATOM 357 CG MET A 23 7.036 -1.587 0.106 1.00 0.00 C ATOM 358 SD MET A 23 6.159 -0.107 -0.501 1.00 0.00 S ATOM 359 CE MET A 23 4.540 -0.338 0.155 1.00 0.00 C ATOM 0 H MET A 23 8.566 -3.629 2.293 1.00 0.00 H new ATOM 0 HA MET A 23 9.456 -1.467 0.756 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.997 -2.338 2.151 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.125 -0.594 2.044 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.922 -1.743 -0.509 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.393 -2.456 -0.035 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.810 -0.297 -0.654 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.482 -1.309 0.647 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.325 0.449 0.878 1.00 0.00 H new ATOM 369 N ARG A 24 9.317 -0.824 4.008 1.00 0.00 N ATOM 370 CA ARG A 24 9.944 -0.095 5.108 1.00 0.00 C ATOM 371 C ARG A 24 11.488 -0.163 5.027 1.00 0.00 C ATOM 372 O ARG A 24 12.200 0.836 5.051 1.00 0.00 O ATOM 373 CB ARG A 24 9.491 -0.672 6.461 1.00 0.00 C ATOM 374 CG ARG A 24 8.029 -0.368 6.780 1.00 0.00 C ATOM 375 CD ARG A 24 7.348 -1.604 7.472 1.00 0.00 C ATOM 376 NE ARG A 24 6.798 -1.151 8.734 1.00 0.00 N ATOM 377 CZ ARG A 24 7.471 -1.069 9.922 1.00 0.00 C ATOM 378 NH1 ARG A 24 8.829 -1.135 9.960 1.00 0.00 N ATOM 379 NH2 ARG A 24 6.828 -0.862 11.092 1.00 0.00 N ATOM 0 H ARG A 24 8.698 -1.569 4.329 1.00 0.00 H new ATOM 0 HA ARG A 24 9.633 0.946 5.024 1.00 0.00 H new ATOM 0 HB2 ARG A 24 9.639 -1.752 6.457 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.122 -0.266 7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.967 0.502 7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.495 -0.117 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.563 -2.014 6.837 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.074 -2.400 7.635 1.00 0.00 H new ATOM 0 HE ARG A 24 5.818 -0.867 8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.359 -1.247 9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.318 -1.072 10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.813 -0.762 11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.358 -0.806 11.962 1.00 0.00 H new ATOM 393 N ALA A 25 11.978 -1.442 4.978 1.00 0.00 N ATOM 394 CA ALA A 25 13.434 -1.705 4.743 1.00 0.00 C ATOM 395 C ALA A 25 13.996 -0.658 3.775 1.00 0.00 C ATOM 396 O ALA A 25 14.785 0.194 4.107 1.00 0.00 O ATOM 397 CB ALA A 25 13.565 -3.115 4.114 1.00 0.00 C ATOM 0 H ALA A 25 11.408 -2.280 5.094 1.00 0.00 H new ATOM 0 HA ALA A 25 13.988 -1.650 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.617 -3.335 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.152 -3.858 4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.019 -3.145 3.171 1.00 0.00 H new ATOM 403 N GLN A 26 13.553 -0.753 2.481 1.00 0.00 N ATOM 404 CA GLN A 26 13.550 0.293 1.460 1.00 0.00 C ATOM 405 C GLN A 26 13.683 1.695 2.162 1.00 0.00 C ATOM 406 O GLN A 26 14.658 2.350 2.019 1.00 0.00 O ATOM 407 CB GLN A 26 12.165 0.256 0.765 1.00 0.00 C ATOM 408 CG GLN A 26 12.071 -0.414 -0.583 1.00 0.00 C ATOM 409 CD GLN A 26 12.983 -1.611 -0.770 1.00 0.00 C ATOM 410 OE1 GLN A 26 14.073 -1.578 -1.409 1.00 0.00 O ATOM 411 NE2 GLN A 26 12.619 -2.797 -0.198 1.00 0.00 N ATOM 0 H GLN A 26 13.168 -1.627 2.123 1.00 0.00 H new ATOM 0 HA GLN A 26 14.367 0.140 0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.467 -0.244 1.437 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.819 1.284 0.653 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.041 -0.733 -0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.300 0.322 -1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.746 -2.864 0.326 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.220 -3.616 -0.295 1.00 0.00 H new ATOM 420 N ALA A 27 12.545 2.063 2.815 1.00 0.00 N ATOM 421 CA ALA A 27 12.259 3.487 3.220 1.00 0.00 C ATOM 422 C ALA A 27 13.385 4.050 4.092 1.00 0.00 C ATOM 423 O ALA A 27 13.911 5.169 3.812 1.00 0.00 O ATOM 424 CB ALA A 27 10.924 3.518 3.990 1.00 0.00 C ATOM 0 H ALA A 27 11.810 1.405 3.075 1.00 0.00 H new ATOM 0 HA ALA A 27 12.193 4.108 2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.701 4.542 4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.125 3.146 3.348 1.00 0.00 H new ATOM 0 HB3 ALA A 27 11.000 2.888 4.876 1.00 0.00 H new ATOM 430 N GLU A 28 13.730 3.328 5.132 1.00 0.00 N ATOM 431 CA GLU A 28 14.850 3.636 6.074 1.00 0.00 C ATOM 432 C GLU A 28 16.190 3.210 5.409 1.00 0.00 C ATOM 433 O GLU A 28 17.268 3.622 5.835 1.00 0.00 O ATOM 434 CB GLU A 28 14.545 2.844 7.369 1.00 0.00 C ATOM 435 CG GLU A 28 15.830 2.376 8.057 1.00 0.00 C ATOM 436 CD GLU A 28 15.781 2.176 9.544 1.00 0.00 C ATOM 437 OE1 GLU A 28 14.778 2.698 10.149 1.00 0.00 O ATOM 438 OE2 GLU A 28 16.681 1.486 10.126 1.00 0.00 O ATOM 0 H GLU A 28 13.237 2.470 5.380 1.00 0.00 H new ATOM 0 HA GLU A 28 14.940 4.696 6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.972 3.470 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.924 1.981 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.134 1.434 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.613 3.103 7.840 1.00 0.00 H new ATOM 445 N LYS A 29 16.075 2.329 4.395 1.00 0.00 N ATOM 446 CA LYS A 29 17.230 1.987 3.490 1.00 0.00 C ATOM 447 C LYS A 29 17.644 3.219 2.627 1.00 0.00 C ATOM 448 O LYS A 29 18.792 3.362 2.242 1.00 0.00 O ATOM 449 CB LYS A 29 16.736 0.847 2.557 1.00 0.00 C ATOM 450 CG LYS A 29 17.935 0.097 1.967 1.00 0.00 C ATOM 451 CD LYS A 29 17.767 -1.461 2.084 1.00 0.00 C ATOM 452 CE LYS A 29 16.404 -1.815 1.441 1.00 0.00 C ATOM 453 NZ LYS A 29 16.312 -3.298 1.293 1.00 0.00 N ATOM 0 H LYS A 29 15.210 1.837 4.170 1.00 0.00 H new ATOM 0 HA LYS A 29 18.099 1.687 4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.104 0.157 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.125 1.261 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.055 0.371 0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.845 0.404 2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.580 -1.977 1.574 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.795 -1.775 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.587 -1.446 2.061 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.309 -1.332 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.399 -3.548 0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.086 -3.635 0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.387 -3.746 2.229 1.00 0.00 H new ATOM 467 N TYR A 30 16.604 3.986 2.257 1.00 0.00 N ATOM 468 CA TYR A 30 16.575 4.937 1.119 1.00 0.00 C ATOM 469 C TYR A 30 16.588 6.397 1.663 1.00 0.00 C ATOM 470 O TYR A 30 17.429 7.230 1.342 1.00 0.00 O ATOM 471 CB TYR A 30 15.303 4.711 0.265 1.00 0.00 C ATOM 472 CG TYR A 30 15.302 3.403 -0.554 1.00 0.00 C ATOM 473 CD1 TYR A 30 16.345 2.510 -0.345 1.00 0.00 C ATOM 474 CD2 TYR A 30 14.303 3.160 -1.495 1.00 0.00 C ATOM 475 CE1 TYR A 30 16.387 1.306 -1.081 1.00 0.00 C ATOM 476 CE2 TYR A 30 14.289 1.933 -2.194 1.00 0.00 C ATOM 477 CZ TYR A 30 15.374 1.055 -2.013 1.00 0.00 C ATOM 478 OH TYR A 30 15.425 -0.078 -2.758 1.00 0.00 O ATOM 0 H TYR A 30 15.718 3.963 2.762 1.00 0.00 H new ATOM 0 HA TYR A 30 17.453 4.771 0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.434 4.712 0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.186 5.552 -0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 30 17.118 2.735 0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.545 3.905 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 30 17.184 0.594 -0.928 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.469 1.676 -2.849 1.00 0.00 H new ATOM 0 HH TYR A 30 15.214 -0.851 -2.193 1.00 0.00 H new ATOM 488 N GLU A 31 15.539 6.642 2.476 1.00 0.00 N ATOM 489 CA GLU A 31 14.948 7.964 2.710 1.00 0.00 C ATOM 490 C GLU A 31 13.596 8.085 1.961 1.00 0.00 C ATOM 491 O GLU A 31 13.350 9.028 1.211 1.00 0.00 O ATOM 492 CB GLU A 31 15.902 9.080 2.264 1.00 0.00 C ATOM 493 CG GLU A 31 15.558 10.452 2.784 1.00 0.00 C ATOM 494 CD GLU A 31 16.271 10.867 4.076 1.00 0.00 C ATOM 495 OE1 GLU A 31 17.310 10.226 4.421 1.00 0.00 O ATOM 496 OE2 GLU A 31 15.726 11.814 4.690 1.00 0.00 O ATOM 0 H GLU A 31 15.072 5.901 2.999 1.00 0.00 H new ATOM 0 HA GLU A 31 14.773 8.074 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.911 8.827 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.916 9.113 1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.791 11.183 2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.482 10.498 2.953 1.00 0.00 H new ATOM 503 N VAL A 32 12.735 7.030 2.155 1.00 0.00 N ATOM 504 CA VAL A 32 11.311 7.038 1.803 1.00 0.00 C ATOM 505 C VAL A 32 10.433 6.810 3.041 1.00 0.00 C ATOM 506 O VAL A 32 9.832 5.745 3.242 1.00 0.00 O ATOM 507 CB VAL A 32 11.055 6.065 0.647 1.00 0.00 C ATOM 508 CG1 VAL A 32 9.735 6.246 -0.105 1.00 0.00 C ATOM 509 CG2 VAL A 32 12.242 5.884 -0.290 1.00 0.00 C ATOM 0 H VAL A 32 13.037 6.148 2.568 1.00 0.00 H new ATOM 0 HA VAL A 32 11.022 8.023 1.438 1.00 0.00 H new ATOM 0 HB VAL A 32 10.930 5.118 1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.664 5.503 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.902 6.119 0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.697 7.245 -0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.978 5.181 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.506 6.844 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.093 5.497 0.271 1.00 0.00 H new ATOM 519 N PRO A 33 10.389 7.800 3.956 1.00 0.00 N ATOM 520 CA PRO A 33 9.971 7.776 5.335 1.00 0.00 C ATOM 521 C PRO A 33 8.527 7.499 5.750 1.00 0.00 C ATOM 522 O PRO A 33 7.660 7.004 5.002 1.00 0.00 O ATOM 523 CB PRO A 33 10.683 8.897 6.061 1.00 0.00 C ATOM 524 CG PRO A 33 11.836 9.270 5.077 1.00 0.00 C ATOM 525 CD PRO A 33 11.094 9.122 3.691 1.00 0.00 C ATOM 0 HA PRO A 33 10.286 6.793 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.021 9.743 6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.066 8.573 7.029 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.210 10.281 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.689 8.597 5.164 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.401 9.939 3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.781 9.074 2.846 1.00 0.00 H new ATOM 533 N VAL A 34 8.226 7.927 7.014 1.00 0.00 N ATOM 534 CA VAL A 34 7.301 7.341 7.926 1.00 0.00 C ATOM 535 C VAL A 34 7.152 5.809 7.716 1.00 0.00 C ATOM 536 O VAL A 34 8.112 5.057 7.701 1.00 0.00 O ATOM 537 CB VAL A 34 5.953 8.084 8.060 1.00 0.00 C ATOM 538 CG1 VAL A 34 5.151 7.449 9.336 1.00 0.00 C ATOM 539 CG2 VAL A 34 6.178 9.582 8.457 1.00 0.00 C ATOM 0 H VAL A 34 8.677 8.751 7.411 1.00 0.00 H new ATOM 0 HA VAL A 34 7.756 7.475 8.907 1.00 0.00 H new ATOM 0 HB VAL A 34 5.426 7.996 7.110 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.194 7.957 9.453 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.980 6.386 9.166 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.745 7.580 10.241 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.214 10.084 8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.701 9.631 9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.775 10.076 7.691 1.00 0.00 H new ATOM 549 N ILE A 35 5.880 5.372 7.636 1.00 0.00 N ATOM 550 CA ILE A 35 5.390 3.991 7.868 1.00 0.00 C ATOM 551 C ILE A 35 4.816 3.424 6.550 1.00 0.00 C ATOM 552 O ILE A 35 4.025 4.039 5.857 1.00 0.00 O ATOM 553 CB ILE A 35 4.358 3.949 9.039 1.00 0.00 C ATOM 554 CG1 ILE A 35 4.923 4.280 10.372 1.00 0.00 C ATOM 555 CG2 ILE A 35 3.481 2.684 8.962 1.00 0.00 C ATOM 556 CD1 ILE A 35 4.224 3.650 11.617 1.00 0.00 C ATOM 0 H ILE A 35 5.120 6.007 7.394 1.00 0.00 H new ATOM 0 HA ILE A 35 6.221 3.356 8.175 1.00 0.00 H new ATOM 0 HB ILE A 35 3.669 4.782 8.897 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.969 3.975 10.381 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.906 5.364 10.487 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.772 2.682 9.790 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.936 2.676 8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.114 1.798 9.024 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.736 3.973 12.524 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.184 3.974 11.653 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.264 2.563 11.545 1.00 0.00 H new ATOM 568 N ILE A 36 5.273 2.179 6.260 1.00 0.00 N ATOM 569 CA ILE A 36 4.443 1.123 5.568 1.00 0.00 C ATOM 570 C ILE A 36 3.946 0.136 6.666 1.00 0.00 C ATOM 571 O ILE A 36 4.707 -0.254 7.519 1.00 0.00 O ATOM 572 CB ILE A 36 5.311 0.440 4.493 1.00 0.00 C ATOM 573 CG1 ILE A 36 6.513 1.248 4.032 1.00 0.00 C ATOM 574 CG2 ILE A 36 4.458 -0.112 3.316 1.00 0.00 C ATOM 575 CD1 ILE A 36 6.474 1.824 2.573 1.00 0.00 C ATOM 0 H ILE A 36 6.216 1.867 6.491 1.00 0.00 H new ATOM 0 HA ILE A 36 3.573 1.537 5.058 1.00 0.00 H new ATOM 0 HB ILE A 36 5.756 -0.419 4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.643 2.082 4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.398 0.618 4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.112 -0.584 2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.747 -0.846 3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.916 0.707 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.392 2.378 2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.385 1.004 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.618 2.491 2.468 1.00 0.00 H new ATOM 587 N GLU A 37 2.677 -0.247 6.542 1.00 0.00 N ATOM 588 CA GLU A 37 2.010 -1.290 7.354 1.00 0.00 C ATOM 589 C GLU A 37 0.859 -1.954 6.586 1.00 0.00 C ATOM 590 O GLU A 37 0.247 -1.372 5.687 1.00 0.00 O ATOM 591 CB GLU A 37 1.564 -0.773 8.702 1.00 0.00 C ATOM 592 CG GLU A 37 2.581 -0.783 9.803 1.00 0.00 C ATOM 593 CD GLU A 37 2.660 -2.101 10.624 1.00 0.00 C ATOM 594 OE1 GLU A 37 2.476 -3.167 10.023 1.00 0.00 O ATOM 595 OE2 GLU A 37 2.876 -1.953 11.869 1.00 0.00 O ATOM 0 H GLU A 37 2.053 0.169 5.851 1.00 0.00 H new ATOM 0 HA GLU A 37 2.756 -2.060 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.213 0.251 8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.708 -1.365 9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.562 -0.584 9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.361 0.038 10.485 1.00 0.00 H new ATOM 602 N ALA A 38 0.662 -3.273 6.870 1.00 0.00 N ATOM 603 CA ALA A 38 -0.156 -4.201 6.078 1.00 0.00 C ATOM 604 C ALA A 38 -1.429 -4.568 6.833 1.00 0.00 C ATOM 605 O ALA A 38 -1.440 -4.840 8.033 1.00 0.00 O ATOM 606 CB ALA A 38 0.699 -5.538 5.857 1.00 0.00 C ATOM 0 H ALA A 38 1.086 -3.720 7.683 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.426 -3.733 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.117 -6.249 5.271 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.620 -5.297 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.942 -5.978 6.824 1.00 0.00 H new ATOM 612 N PHE A 39 -2.569 -4.460 6.100 1.00 0.00 N ATOM 613 CA PHE A 39 -3.944 -4.269 6.614 1.00 0.00 C ATOM 614 C PHE A 39 -4.924 -5.139 5.827 1.00 0.00 C ATOM 615 O PHE A 39 -4.661 -5.417 4.640 1.00 0.00 O ATOM 616 CB PHE A 39 -4.301 -2.801 6.644 1.00 0.00 C ATOM 617 CG PHE A 39 -3.691 -1.908 7.753 1.00 0.00 C ATOM 618 CD1 PHE A 39 -2.317 -1.571 7.618 1.00 0.00 C ATOM 619 CD2 PHE A 39 -4.433 -1.443 8.828 1.00 0.00 C ATOM 620 CE1 PHE A 39 -1.708 -0.793 8.619 1.00 0.00 C ATOM 621 CE2 PHE A 39 -3.761 -0.856 9.936 1.00 0.00 C ATOM 622 CZ PHE A 39 -2.390 -0.601 9.831 1.00 0.00 C ATOM 0 H PHE A 39 -2.548 -4.507 5.081 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.007 -4.605 7.649 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.018 -2.373 5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.386 -2.726 6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.750 -1.906 6.762 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.510 -1.526 8.824 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.735 -0.352 8.458 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.299 -0.612 10.840 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.847 -0.251 10.696 1.00 0.00 H new ATOM 632 N PRO A 40 -5.945 -5.704 6.479 1.00 0.00 N ATOM 633 CA PRO A 40 -7.007 -6.577 5.864 1.00 0.00 C ATOM 634 C PRO A 40 -8.331 -5.868 5.464 1.00 0.00 C ATOM 635 O PRO A 40 -9.439 -6.227 5.818 1.00 0.00 O ATOM 636 CB PRO A 40 -7.170 -7.709 6.814 1.00 0.00 C ATOM 637 CG PRO A 40 -6.617 -7.279 8.133 1.00 0.00 C ATOM 638 CD PRO A 40 -6.134 -5.789 7.940 1.00 0.00 C ATOM 0 HA PRO A 40 -6.688 -6.919 4.880 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.222 -7.979 6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.646 -8.593 6.449 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.375 -7.345 8.914 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.790 -7.921 8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.874 -5.073 8.296 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.210 -5.588 8.482 1.00 0.00 H new ATOM 646 N GLU A 41 -8.102 -4.899 4.563 1.00 0.00 N ATOM 647 CA GLU A 41 -8.948 -3.761 4.279 1.00 0.00 C ATOM 648 C GLU A 41 -9.668 -3.156 5.478 1.00 0.00 C ATOM 649 O GLU A 41 -9.663 -1.890 5.618 1.00 0.00 O ATOM 650 CB GLU A 41 -9.884 -3.974 3.086 1.00 0.00 C ATOM 651 CG GLU A 41 -11.067 -4.871 3.428 1.00 0.00 C ATOM 652 CD GLU A 41 -12.303 -4.707 2.520 1.00 0.00 C ATOM 653 OE1 GLU A 41 -12.418 -3.620 1.909 1.00 0.00 O ATOM 654 OE2 GLU A 41 -13.119 -5.669 2.452 1.00 0.00 O ATOM 0 H GLU A 41 -7.263 -4.903 3.983 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.228 -2.997 3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.252 -3.008 2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.323 -4.415 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.739 -5.910 3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.365 -4.675 4.458 1.00 0.00 H new ATOM 661 N THR A 42 -10.367 -3.943 6.308 1.00 0.00 N ATOM 662 CA THR A 42 -10.971 -3.671 7.616 1.00 0.00 C ATOM 663 C THR A 42 -10.736 -2.216 8.075 1.00 0.00 C ATOM 664 O THR A 42 -11.659 -1.505 8.479 1.00 0.00 O ATOM 665 CB THR A 42 -10.715 -4.606 8.773 1.00 0.00 C ATOM 666 OG1 THR A 42 -10.107 -3.943 9.910 1.00 0.00 O ATOM 667 CG2 THR A 42 -10.148 -5.967 8.414 1.00 0.00 C ATOM 0 H THR A 42 -10.543 -4.911 6.040 1.00 0.00 H new ATOM 0 HA THR A 42 -12.015 -3.867 7.372 1.00 0.00 H new ATOM 0 HB THR A 42 -11.707 -4.892 9.121 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.111 -4.547 10.681 1.00 0.00 H new ATOM 0 HG21 THR A 42 -10.005 -6.553 9.322 1.00 0.00 H new ATOM 0 HG22 THR A 42 -10.841 -6.487 7.752 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.190 -5.841 7.909 1.00 0.00 H new ATOM 675 N LEU A 43 -9.423 -1.865 8.105 1.00 0.00 N ATOM 676 CA LEU A 43 -8.841 -0.784 8.951 1.00 0.00 C ATOM 677 C LEU A 43 -8.097 0.230 8.016 1.00 0.00 C ATOM 678 O LEU A 43 -7.169 0.871 8.494 1.00 0.00 O ATOM 679 CB LEU A 43 -7.704 -1.524 9.769 1.00 0.00 C ATOM 680 CG LEU A 43 -7.980 -1.922 11.202 1.00 0.00 C ATOM 681 CD1 LEU A 43 -9.448 -2.017 11.635 1.00 0.00 C ATOM 682 CD2 LEU A 43 -7.162 -3.193 11.635 1.00 0.00 C ATOM 0 H LEU A 43 -8.723 -2.335 7.530 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.591 -0.275 9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.438 -2.428 9.221 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.825 -0.880 9.769 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.617 -1.057 11.757 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.500 -2.311 12.683 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.929 -1.047 11.506 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.960 -2.760 11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.394 -3.439 12.671 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.429 -4.033 10.994 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.095 -2.989 11.541 1.00 0.00 H new ATOM 694 N ALA A 44 -8.530 0.271 6.756 1.00 0.00 N ATOM 695 CA ALA A 44 -7.989 1.274 5.772 1.00 0.00 C ATOM 696 C ALA A 44 -8.625 2.670 6.045 1.00 0.00 C ATOM 697 O ALA A 44 -8.035 3.705 5.944 1.00 0.00 O ATOM 698 CB ALA A 44 -8.278 0.849 4.360 1.00 0.00 C ATOM 0 H ALA A 44 -9.239 -0.355 6.375 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.908 1.334 5.897 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.877 1.590 3.668 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.811 -0.117 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.356 0.766 4.218 1.00 0.00 H new ATOM 704 N GLY A 45 -9.953 2.602 6.401 1.00 0.00 N ATOM 705 CA GLY A 45 -10.666 3.748 7.022 1.00 0.00 C ATOM 706 C GLY A 45 -9.735 4.644 7.853 1.00 0.00 C ATOM 707 O GLY A 45 -9.589 5.843 7.586 1.00 0.00 O ATOM 0 H GLY A 45 -10.533 1.774 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.136 4.345 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.466 3.371 7.660 1.00 0.00 H new ATOM 711 N GLU A 46 -9.172 4.039 8.932 1.00 0.00 N ATOM 712 CA GLU A 46 -8.338 4.729 9.921 1.00 0.00 C ATOM 713 C GLU A 46 -6.910 5.018 9.409 1.00 0.00 C ATOM 714 O GLU A 46 -6.349 6.081 9.661 1.00 0.00 O ATOM 715 CB GLU A 46 -8.275 3.892 11.229 1.00 0.00 C ATOM 716 CG GLU A 46 -9.682 3.593 11.781 1.00 0.00 C ATOM 717 CD GLU A 46 -10.114 2.113 11.639 1.00 0.00 C ATOM 718 OE1 GLU A 46 -10.507 1.780 10.474 1.00 0.00 O ATOM 719 OE2 GLU A 46 -10.071 1.374 12.613 1.00 0.00 O ATOM 0 H GLU A 46 -9.293 3.046 9.131 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.804 5.695 10.114 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.753 2.955 11.037 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.697 4.431 11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.714 3.870 12.835 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.405 4.223 11.263 1.00 0.00 H new ATOM 726 N LYS A 47 -6.330 3.993 8.731 1.00 0.00 N ATOM 727 CA LYS A 47 -4.883 3.994 8.353 1.00 0.00 C ATOM 728 C LYS A 47 -4.672 4.600 6.954 1.00 0.00 C ATOM 729 O LYS A 47 -3.797 5.395 6.695 1.00 0.00 O ATOM 730 CB LYS A 47 -4.296 2.570 8.382 1.00 0.00 C ATOM 731 CG LYS A 47 -4.312 1.982 9.791 1.00 0.00 C ATOM 732 CD LYS A 47 -4.658 2.951 10.930 1.00 0.00 C ATOM 733 CE LYS A 47 -4.552 2.201 12.278 1.00 0.00 C ATOM 734 NZ LYS A 47 -5.811 1.453 12.533 1.00 0.00 N ATOM 0 H LYS A 47 -6.835 3.158 8.434 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.364 4.608 9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.867 1.927 7.713 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.273 2.590 8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.029 1.161 9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.331 1.553 9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.979 3.803 10.919 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.666 3.345 10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.706 1.513 12.258 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.368 2.909 13.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.701 0.869 13.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.592 2.125 12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.022 0.840 11.720 1.00 0.00 H new ATOM 748 N GLY A 48 -5.524 4.107 6.014 1.00 0.00 N ATOM 749 CA GLY A 48 -5.806 4.793 4.734 1.00 0.00 C ATOM 750 C GLY A 48 -6.002 6.305 4.866 1.00 0.00 C ATOM 751 O GLY A 48 -5.221 7.081 4.266 1.00 0.00 O ATOM 0 H GLY A 48 -6.029 3.228 6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.984 4.603 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.702 4.358 4.291 1.00 0.00 H new ATOM 755 N GLN A 49 -7.042 6.723 5.615 1.00 0.00 N ATOM 756 CA GLN A 49 -7.276 8.117 6.044 1.00 0.00 C ATOM 757 C GLN A 49 -6.025 8.696 6.742 1.00 0.00 C ATOM 758 O GLN A 49 -5.852 9.937 6.731 1.00 0.00 O ATOM 759 CB GLN A 49 -8.498 8.178 6.935 1.00 0.00 C ATOM 760 CG GLN A 49 -8.435 9.189 8.098 1.00 0.00 C ATOM 761 CD GLN A 49 -8.010 8.560 9.415 1.00 0.00 C ATOM 762 OE1 GLN A 49 -6.827 8.506 9.814 1.00 0.00 O ATOM 763 NE2 GLN A 49 -8.988 8.023 10.189 1.00 0.00 N ATOM 0 H GLN A 49 -7.763 6.082 5.948 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.464 8.736 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.363 8.419 6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.670 7.185 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.737 9.986 7.841 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.414 9.651 8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.959 8.057 9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.751 7.585 11.079 1.00 0.00 H new ATOM 772 N ASN A 50 -5.232 7.846 7.405 1.00 0.00 N ATOM 773 CA ASN A 50 -3.942 8.207 8.045 1.00 0.00 C ATOM 774 C ASN A 50 -2.763 7.967 7.107 1.00 0.00 C ATOM 775 O ASN A 50 -1.591 7.982 7.518 1.00 0.00 O ATOM 776 CB ASN A 50 -3.797 7.490 9.406 1.00 0.00 C ATOM 777 CG ASN A 50 -4.108 8.387 10.622 1.00 0.00 C ATOM 778 OD1 ASN A 50 -5.027 8.149 11.409 1.00 0.00 O ATOM 779 ND2 ASN A 50 -3.403 9.530 10.750 1.00 0.00 N ATOM 0 H ASN A 50 -5.468 6.860 7.520 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.939 9.278 8.249 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.463 6.627 9.424 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.780 7.109 9.498 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.632 10.190 11.494 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.641 9.735 10.103 1.00 0.00 H new ATOM 786 N ALA A 51 -3.089 7.628 5.829 1.00 0.00 N ATOM 787 CA ALA A 51 -2.069 7.468 4.774 1.00 0.00 C ATOM 788 C ALA A 51 -1.730 8.834 4.126 1.00 0.00 C ATOM 789 O ALA A 51 -2.450 9.805 4.216 1.00 0.00 O ATOM 790 CB ALA A 51 -2.555 6.496 3.679 1.00 0.00 C ATOM 0 H ALA A 51 -4.045 7.463 5.514 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.174 7.059 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.785 6.396 2.914 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.756 5.520 4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.468 6.884 3.227 1.00 0.00 H new ATOM 796 N ASP A 52 -0.571 8.816 3.432 1.00 0.00 N ATOM 797 CA ASP A 52 -0.237 9.631 2.241 1.00 0.00 C ATOM 798 C ASP A 52 -0.618 8.865 0.939 1.00 0.00 C ATOM 799 O ASP A 52 -1.219 9.426 0.038 1.00 0.00 O ATOM 800 CB ASP A 52 1.271 9.883 2.211 1.00 0.00 C ATOM 801 CG ASP A 52 1.680 11.325 2.619 1.00 0.00 C ATOM 802 OD1 ASP A 52 1.012 11.833 3.577 1.00 0.00 O ATOM 803 OD2 ASP A 52 2.655 11.843 2.024 1.00 0.00 O ATOM 0 H ASP A 52 0.197 8.201 3.700 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.789 10.569 2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.760 9.175 2.880 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.643 9.682 1.206 1.00 0.00 H new ATOM 808 N VAL A 53 -0.041 7.614 0.833 1.00 0.00 N ATOM 809 CA VAL A 53 -0.390 6.642 -0.205 1.00 0.00 C ATOM 810 C VAL A 53 -0.825 5.305 0.387 1.00 0.00 C ATOM 811 O VAL A 53 -0.462 4.877 1.498 1.00 0.00 O ATOM 812 CB VAL A 53 0.707 6.596 -1.273 1.00 0.00 C ATOM 813 CG1 VAL A 53 1.668 5.386 -1.227 1.00 0.00 C ATOM 814 CG2 VAL A 53 0.149 6.803 -2.709 1.00 0.00 C ATOM 0 H VAL A 53 0.675 7.279 1.477 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.284 6.966 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 53 1.331 7.448 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.397 5.470 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.187 5.370 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.099 4.464 -1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.968 6.761 -3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.573 6.018 -2.936 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.340 7.775 -2.773 1.00 0.00 H new ATOM 824 N VAL A 54 -1.704 4.591 -0.382 1.00 0.00 N ATOM 825 CA VAL A 54 -2.421 3.366 -0.011 1.00 0.00 C ATOM 826 C VAL A 54 -2.488 2.372 -1.160 1.00 0.00 C ATOM 827 O VAL A 54 -2.474 2.727 -2.333 1.00 0.00 O ATOM 828 CB VAL A 54 -3.821 3.706 0.564 1.00 0.00 C ATOM 829 CG1 VAL A 54 -4.765 2.475 0.574 1.00 0.00 C ATOM 830 CG2 VAL A 54 -3.708 4.326 1.951 1.00 0.00 C ATOM 0 H VAL A 54 -1.932 4.888 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.855 2.871 0.778 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.269 4.444 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.733 2.762 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.897 2.110 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.329 1.687 1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.704 4.554 2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.216 3.624 2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.123 5.244 1.893 1.00 0.00 H new ATOM 840 N LEU A 55 -2.352 1.024 -0.814 1.00 0.00 N ATOM 841 CA LEU A 55 -2.628 -0.094 -1.651 1.00 0.00 C ATOM 842 C LEU A 55 -3.622 -1.094 -0.979 1.00 0.00 C ATOM 843 O LEU A 55 -3.683 -1.194 0.187 1.00 0.00 O ATOM 844 CB LEU A 55 -1.289 -0.895 -1.867 1.00 0.00 C ATOM 845 CG LEU A 55 -0.079 -0.154 -2.482 1.00 0.00 C ATOM 846 CD1 LEU A 55 -0.087 -0.204 -4.037 1.00 0.00 C ATOM 847 CD2 LEU A 55 0.057 1.300 -1.965 1.00 0.00 C ATOM 0 H LEU A 55 -2.029 0.741 0.111 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.057 0.288 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.979 -1.291 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.513 -1.750 -2.504 1.00 0.00 H new ATOM 0 HG LEU A 55 0.805 -0.694 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.782 0.330 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.052 -1.242 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.997 0.265 -4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.923 1.772 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.842 1.862 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.186 1.291 -0.883 1.00 0.00 H new ATOM 859 N LEU A 56 -4.365 -1.829 -1.896 1.00 0.00 N ATOM 860 CA LEU A 56 -5.045 -3.087 -1.576 1.00 0.00 C ATOM 861 C LEU A 56 -4.284 -4.263 -2.209 1.00 0.00 C ATOM 862 O LEU A 56 -3.299 -4.063 -2.908 1.00 0.00 O ATOM 863 CB LEU A 56 -6.473 -2.997 -2.010 1.00 0.00 C ATOM 864 CG LEU A 56 -7.575 -2.651 -0.928 1.00 0.00 C ATOM 865 CD1 LEU A 56 -7.889 -3.739 0.045 1.00 0.00 C ATOM 866 CD2 LEU A 56 -7.253 -1.257 -0.340 1.00 0.00 C ATOM 0 H LEU A 56 -4.489 -1.538 -2.866 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.050 -3.266 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.533 -2.244 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.742 -3.952 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.548 -2.586 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.655 -3.396 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.253 -4.614 -0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.988 -4.002 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.001 -0.997 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.266 -1.276 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.265 -0.514 -1.138 1.00 0.00 H new ATOM 878 N GLY A 57 -4.744 -5.495 -1.882 1.00 0.00 N ATOM 879 CA GLY A 57 -4.312 -6.732 -2.605 1.00 0.00 C ATOM 880 C GLY A 57 -5.030 -6.877 -3.944 1.00 0.00 C ATOM 881 O GLY A 57 -6.129 -6.383 -4.171 1.00 0.00 O ATOM 0 H GLY A 57 -5.410 -5.666 -1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.235 -6.701 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.514 -7.606 -1.986 1.00 0.00 H new ATOM 885 N PRO A 58 -4.349 -7.561 -4.917 1.00 0.00 N ATOM 886 CA PRO A 58 -4.834 -7.760 -6.307 1.00 0.00 C ATOM 887 C PRO A 58 -6.304 -8.335 -6.452 1.00 0.00 C ATOM 888 O PRO A 58 -7.088 -7.876 -7.224 1.00 0.00 O ATOM 889 CB PRO A 58 -3.815 -8.590 -6.984 1.00 0.00 C ATOM 890 CG PRO A 58 -2.517 -8.401 -6.219 1.00 0.00 C ATOM 891 CD PRO A 58 -2.953 -7.964 -4.815 1.00 0.00 C ATOM 0 HA PRO A 58 -4.943 -6.786 -6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.112 -9.639 -6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.698 -8.287 -8.024 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.939 -9.325 -6.185 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.886 -7.648 -6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.837 -8.780 -4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.337 -7.139 -4.458 1.00 0.00 H new ATOM 899 N GLN A 59 -6.548 -9.254 -5.484 1.00 0.00 N ATOM 900 CA GLN A 59 -7.706 -10.167 -5.471 1.00 0.00 C ATOM 901 C GLN A 59 -8.719 -9.756 -4.409 1.00 0.00 C ATOM 902 O GLN A 59 -9.768 -10.431 -4.217 1.00 0.00 O ATOM 903 CB GLN A 59 -7.197 -11.600 -5.186 1.00 0.00 C ATOM 904 CG GLN A 59 -5.773 -11.822 -5.744 1.00 0.00 C ATOM 905 CD GLN A 59 -5.154 -13.138 -5.245 1.00 0.00 C ATOM 906 OE1 GLN A 59 -5.627 -14.264 -5.420 1.00 0.00 O ATOM 907 NE2 GLN A 59 -3.991 -12.999 -4.529 1.00 0.00 N ATOM 0 H GLN A 59 -5.932 -9.379 -4.680 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.205 -10.125 -6.439 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.199 -11.780 -4.111 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.879 -12.324 -5.631 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.808 -11.829 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.135 -10.988 -5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.592 -12.072 -4.379 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.526 -13.822 -4.147 1.00 0.00 H new ATOM 916 N ILE A 60 -8.407 -8.674 -3.650 1.00 0.00 N ATOM 917 CA ILE A 60 -9.372 -7.879 -2.839 1.00 0.00 C ATOM 918 C ILE A 60 -9.576 -6.502 -3.504 1.00 0.00 C ATOM 919 O ILE A 60 -10.025 -5.538 -2.935 1.00 0.00 O ATOM 920 CB ILE A 60 -8.910 -7.838 -1.362 1.00 0.00 C ATOM 921 CG1 ILE A 60 -9.917 -7.239 -0.401 1.00 0.00 C ATOM 922 CG2 ILE A 60 -7.459 -7.475 -1.193 1.00 0.00 C ATOM 923 CD1 ILE A 60 -9.518 -6.414 0.778 1.00 0.00 C ATOM 0 H ILE A 60 -7.453 -8.319 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 60 -10.357 -8.346 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.912 -8.870 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.588 -6.622 -0.999 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -10.508 -8.069 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -7.207 -7.466 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.838 -8.209 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.279 -6.487 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.410 -6.096 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.886 -7.006 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.967 -5.537 0.439 1.00 0.00 H new ATOM 935 N ALA A 61 -9.160 -6.466 -4.802 1.00 0.00 N ATOM 936 CA ALA A 61 -9.656 -5.530 -5.822 1.00 0.00 C ATOM 937 C ALA A 61 -11.046 -4.960 -5.495 1.00 0.00 C ATOM 938 O ALA A 61 -11.210 -3.770 -5.349 1.00 0.00 O ATOM 939 CB ALA A 61 -9.662 -6.184 -7.225 1.00 0.00 C ATOM 0 H ALA A 61 -8.454 -7.107 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.960 -4.691 -5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.034 -5.468 -7.958 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.648 -6.483 -7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.308 -7.062 -7.215 1.00 0.00 H new ATOM 945 N TYR A 62 -12.058 -5.864 -5.460 1.00 0.00 N ATOM 946 CA TYR A 62 -13.493 -5.593 -5.438 1.00 0.00 C ATOM 947 C TYR A 62 -13.791 -4.452 -4.409 1.00 0.00 C ATOM 948 O TYR A 62 -14.722 -3.672 -4.565 1.00 0.00 O ATOM 949 CB TYR A 62 -14.272 -6.891 -5.043 1.00 0.00 C ATOM 950 CG TYR A 62 -14.121 -7.231 -3.556 1.00 0.00 C ATOM 951 CD1 TYR A 62 -12.843 -7.322 -2.970 1.00 0.00 C ATOM 952 CD2 TYR A 62 -15.281 -7.464 -2.812 1.00 0.00 C ATOM 953 CE1 TYR A 62 -12.719 -8.032 -1.757 1.00 0.00 C ATOM 954 CE2 TYR A 62 -15.154 -7.973 -1.493 1.00 0.00 C ATOM 955 CZ TYR A 62 -13.878 -8.349 -1.046 1.00 0.00 C ATOM 956 OH TYR A 62 -13.782 -8.980 0.142 1.00 0.00 O ATOM 0 H TYR A 62 -11.865 -6.865 -5.446 1.00 0.00 H new ATOM 0 HA TYR A 62 -13.819 -5.276 -6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -15.329 -6.764 -5.279 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -13.910 -7.726 -5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.984 -6.862 -3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -16.255 -7.261 -3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -11.748 -8.324 -1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.017 -8.068 -0.850 1.00 0.00 H new ATOM 0 HH TYR A 62 -14.679 -9.127 0.508 1.00 0.00 H new ATOM 966 N MET A 63 -12.957 -4.431 -3.352 1.00 0.00 N ATOM 967 CA MET A 63 -13.089 -3.587 -2.142 1.00 0.00 C ATOM 968 C MET A 63 -12.807 -2.111 -2.428 1.00 0.00 C ATOM 969 O MET A 63 -13.060 -1.231 -1.602 1.00 0.00 O ATOM 970 CB MET A 63 -12.240 -4.160 -1.000 1.00 0.00 C ATOM 971 CG MET A 63 -13.063 -5.244 -0.213 1.00 0.00 C ATOM 972 SD MET A 63 -14.618 -4.464 0.528 1.00 0.00 S ATOM 973 CE MET A 63 -15.466 -5.989 0.975 1.00 0.00 C ATOM 0 H MET A 63 -12.132 -5.030 -3.314 1.00 0.00 H new ATOM 0 HA MET A 63 -14.129 -3.614 -1.816 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.328 -4.603 -1.400 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.936 -3.360 -0.325 1.00 0.00 H new ATOM 0 HG2 MET A 63 -13.339 -6.059 -0.882 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.450 -5.674 0.579 1.00 0.00 H new ATOM 0 HE1 MET A 63 -15.980 -5.854 1.927 1.00 0.00 H new ATOM 0 HE2 MET A 63 -16.193 -6.241 0.203 1.00 0.00 H new ATOM 0 HE3 MET A 63 -14.739 -6.796 1.067 1.00 0.00 H new ATOM 983 N LEU A 64 -12.259 -1.841 -3.637 1.00 0.00 N ATOM 984 CA LEU A 64 -11.728 -0.572 -4.127 1.00 0.00 C ATOM 985 C LEU A 64 -12.779 0.531 -4.093 1.00 0.00 C ATOM 986 O LEU A 64 -12.431 1.689 -3.789 1.00 0.00 O ATOM 987 CB LEU A 64 -11.195 -0.802 -5.539 1.00 0.00 C ATOM 988 CG LEU A 64 -10.585 0.345 -6.354 1.00 0.00 C ATOM 989 CD1 LEU A 64 -11.616 1.321 -6.943 1.00 0.00 C ATOM 990 CD2 LEU A 64 -9.405 1.035 -5.663 1.00 0.00 C ATOM 0 H LEU A 64 -12.176 -2.573 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.921 -0.233 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.437 -1.582 -5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.018 -1.208 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 64 -10.152 -0.146 -7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.100 2.101 -7.504 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.290 0.781 -7.608 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.190 1.775 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.027 1.835 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.734 1.454 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.612 0.308 -5.484 1.00 0.00 H new ATOM 1002 N PRO A 65 -14.050 0.236 -4.454 1.00 0.00 N ATOM 1003 CA PRO A 65 -15.134 1.192 -4.666 1.00 0.00 C ATOM 1004 C PRO A 65 -15.735 1.908 -3.412 1.00 0.00 C ATOM 1005 O PRO A 65 -16.169 3.026 -3.410 1.00 0.00 O ATOM 1006 CB PRO A 65 -16.181 0.551 -5.502 1.00 0.00 C ATOM 1007 CG PRO A 65 -15.564 -0.749 -6.035 1.00 0.00 C ATOM 1008 CD PRO A 65 -14.506 -1.106 -4.917 1.00 0.00 C ATOM 0 HA PRO A 65 -14.669 2.033 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -17.076 0.345 -4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -16.480 1.205 -6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -16.311 -1.534 -6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -15.094 -0.607 -7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.952 -1.683 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.682 -1.699 -5.314 1.00 0.00 H new ATOM 1016 N GLU A 66 -15.510 1.144 -2.284 1.00 0.00 N ATOM 1017 CA GLU A 66 -15.781 1.640 -0.917 1.00 0.00 C ATOM 1018 C GLU A 66 -14.549 2.364 -0.361 1.00 0.00 C ATOM 1019 O GLU A 66 -14.646 3.435 0.200 1.00 0.00 O ATOM 1020 CB GLU A 66 -16.306 0.545 -0.036 1.00 0.00 C ATOM 1021 CG GLU A 66 -15.398 0.145 1.143 1.00 0.00 C ATOM 1022 CD GLU A 66 -16.119 -0.756 2.201 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -16.957 -1.570 1.815 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -15.802 -0.497 3.409 1.00 0.00 O ATOM 0 H GLU A 66 -15.144 0.192 -2.314 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.578 2.383 -0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.272 0.855 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.483 -0.338 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.527 -0.385 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.032 1.047 1.633 1.00 0.00 H new ATOM 1031 N ILE A 67 -13.376 1.698 -0.468 1.00 0.00 N ATOM 1032 CA ILE A 67 -12.023 2.279 -0.166 1.00 0.00 C ATOM 1033 C ILE A 67 -11.938 3.676 -0.771 1.00 0.00 C ATOM 1034 O ILE A 67 -11.336 4.606 -0.197 1.00 0.00 O ATOM 1035 CB ILE A 67 -10.898 1.331 -0.678 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -11.122 -0.104 -0.254 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -9.507 1.898 -0.428 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -10.010 -0.759 0.618 1.00 0.00 C ATOM 0 H ILE A 67 -13.329 0.725 -0.771 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.881 2.371 0.911 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.959 1.285 -1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.060 -0.153 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.250 -0.708 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.757 1.201 -0.802 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.405 2.852 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.362 2.047 0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.290 -1.786 0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.069 -0.757 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.892 -0.193 1.542 1.00 0.00 H new ATOM 1050 N GLN A 68 -12.528 3.816 -1.989 1.00 0.00 N ATOM 1051 CA GLN A 68 -12.438 4.996 -2.866 1.00 0.00 C ATOM 1052 C GLN A 68 -13.708 5.853 -2.695 1.00 0.00 C ATOM 1053 O GLN A 68 -13.764 7.019 -3.110 1.00 0.00 O ATOM 1054 CB GLN A 68 -12.226 4.548 -4.297 1.00 0.00 C ATOM 1055 CG GLN A 68 -10.759 4.370 -4.745 1.00 0.00 C ATOM 1056 CD GLN A 68 -10.085 5.700 -5.055 1.00 0.00 C ATOM 1057 OE1 GLN A 68 -10.184 6.326 -6.130 1.00 0.00 O ATOM 1058 NE2 GLN A 68 -9.336 6.265 -4.075 1.00 0.00 N ATOM 0 H GLN A 68 -13.100 3.075 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.584 5.616 -2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.745 3.600 -4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.700 5.274 -4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.202 3.857 -3.961 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.726 3.733 -5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.226 5.790 -3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.883 7.165 -4.234 1.00 0.00 H new ATOM 1067 N ARG A 69 -14.798 5.238 -2.162 1.00 0.00 N ATOM 1068 CA ARG A 69 -16.011 5.931 -1.739 1.00 0.00 C ATOM 1069 C ARG A 69 -15.879 6.370 -0.266 1.00 0.00 C ATOM 1070 O ARG A 69 -16.797 6.897 0.326 1.00 0.00 O ATOM 1071 CB ARG A 69 -17.273 5.111 -1.970 1.00 0.00 C ATOM 1072 CG ARG A 69 -18.082 5.541 -3.219 1.00 0.00 C ATOM 1073 CD ARG A 69 -18.398 4.356 -4.141 1.00 0.00 C ATOM 1074 NE ARG A 69 -19.585 3.639 -3.633 1.00 0.00 N ATOM 1075 CZ ARG A 69 -20.854 4.058 -3.647 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -21.238 5.228 -4.224 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -21.847 3.290 -3.145 1.00 0.00 N ATOM 0 H ARG A 69 -14.843 4.229 -2.019 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.118 6.818 -2.364 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.999 4.061 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -17.912 5.190 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -19.013 6.011 -2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -17.519 6.291 -3.774 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -18.580 4.710 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -17.544 3.680 -4.188 1.00 0.00 H new ATOM 0 HE ARG A 69 -19.417 2.719 -3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -20.545 5.828 -4.671 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -22.219 5.506 -4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -21.633 2.375 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -22.810 3.625 -3.164 1.00 0.00 H new ATOM 1091 N LEU A 70 -14.687 6.045 0.335 1.00 0.00 N ATOM 1092 CA LEU A 70 -14.354 6.243 1.745 1.00 0.00 C ATOM 1093 C LEU A 70 -13.029 6.966 1.895 1.00 0.00 C ATOM 1094 O LEU A 70 -12.969 8.069 2.530 1.00 0.00 O ATOM 1095 CB LEU A 70 -14.358 4.810 2.374 1.00 0.00 C ATOM 1096 CG LEU A 70 -14.052 4.800 3.921 1.00 0.00 C ATOM 1097 CD1 LEU A 70 -14.774 3.761 4.739 1.00 0.00 C ATOM 1098 CD2 LEU A 70 -12.509 4.884 4.125 1.00 0.00 C ATOM 0 H LEU A 70 -13.920 5.624 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.070 6.883 2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.330 4.349 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.618 4.195 1.862 1.00 0.00 H new ATOM 0 HG LEU A 70 -14.501 5.693 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -14.482 3.854 5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.850 3.910 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.513 2.767 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.282 4.878 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.032 4.028 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.133 5.805 3.679 1.00 0.00 H new ATOM 1110 N LEU A 71 -11.912 6.439 1.362 1.00 0.00 N ATOM 1111 CA LEU A 71 -10.752 7.223 0.827 1.00 0.00 C ATOM 1112 C LEU A 71 -11.030 7.463 -0.680 1.00 0.00 C ATOM 1113 O LEU A 71 -10.784 6.558 -1.489 1.00 0.00 O ATOM 1114 CB LEU A 71 -9.583 6.151 0.927 1.00 0.00 C ATOM 1115 CG LEU A 71 -9.168 5.731 2.326 1.00 0.00 C ATOM 1116 CD1 LEU A 71 -10.119 6.233 3.475 1.00 0.00 C ATOM 1117 CD2 LEU A 71 -8.990 4.174 2.462 1.00 0.00 C ATOM 0 H LEU A 71 -11.774 5.431 1.283 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.554 8.171 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.890 5.260 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.707 6.552 0.417 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.206 6.227 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.743 5.885 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.151 7.323 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.123 5.840 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.693 3.929 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.933 3.678 2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.221 3.834 1.769 1.00 0.00 H new ATOM 1129 N PRO A 72 -11.568 8.629 -1.038 1.00 0.00 N ATOM 1130 CA PRO A 72 -11.758 9.131 -2.423 1.00 0.00 C ATOM 1131 C PRO A 72 -10.522 9.657 -3.181 1.00 0.00 C ATOM 1132 O PRO A 72 -9.575 8.897 -3.445 1.00 0.00 O ATOM 1133 CB PRO A 72 -12.943 10.051 -2.354 1.00 0.00 C ATOM 1134 CG PRO A 72 -12.816 10.672 -0.971 1.00 0.00 C ATOM 1135 CD PRO A 72 -12.302 9.542 -0.088 1.00 0.00 C ATOM 0 HA PRO A 72 -11.950 8.289 -3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.914 10.806 -3.139 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.882 9.509 -2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.126 11.516 -0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.775 11.048 -0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.641 9.917 0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.121 9.023 0.410 1.00 0.00 H new ATOM 1143 N ASN A 73 -10.502 10.988 -3.358 1.00 0.00 N ATOM 1144 CA ASN A 73 -9.314 11.789 -3.748 1.00 0.00 C ATOM 1145 C ASN A 73 -8.028 11.026 -3.522 1.00 0.00 C ATOM 1146 O ASN A 73 -7.124 11.047 -4.376 1.00 0.00 O ATOM 1147 CB ASN A 73 -9.329 13.136 -2.941 1.00 0.00 C ATOM 1148 CG ASN A 73 -8.076 13.975 -3.179 1.00 0.00 C ATOM 1149 OD1 ASN A 73 -7.331 13.863 -4.175 1.00 0.00 O ATOM 1150 ND2 ASN A 73 -7.715 14.841 -2.177 1.00 0.00 N ATOM 0 H ASN A 73 -11.336 11.562 -3.231 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.361 12.004 -4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.209 13.715 -3.223 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.419 12.917 -1.877 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.852 15.379 -2.254 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.310 14.947 -1.355 1.00 0.00 H new ATOM 1157 N LYS A 74 -7.889 10.402 -2.336 1.00 0.00 N ATOM 1158 CA LYS A 74 -6.609 9.766 -1.893 1.00 0.00 C ATOM 1159 C LYS A 74 -5.992 8.901 -3.005 1.00 0.00 C ATOM 1160 O LYS A 74 -6.731 8.316 -3.820 1.00 0.00 O ATOM 1161 CB LYS A 74 -6.827 8.939 -0.617 1.00 0.00 C ATOM 1162 CG LYS A 74 -7.248 9.787 0.573 1.00 0.00 C ATOM 1163 CD LYS A 74 -6.057 10.498 1.271 1.00 0.00 C ATOM 1164 CE LYS A 74 -5.748 9.716 2.572 1.00 0.00 C ATOM 1165 NZ LYS A 74 -4.332 9.270 2.566 1.00 0.00 N ATOM 0 H LYS A 74 -8.645 10.319 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.903 10.566 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.589 8.183 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.907 8.409 -0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.966 10.537 0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.760 9.155 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.185 10.516 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.308 11.534 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.936 10.348 3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.410 8.854 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.980 9.220 3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.266 8.330 2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.757 9.947 2.025 1.00 0.00 H new ATOM 1179 N PRO A 75 -4.646 8.856 -3.020 1.00 0.00 N ATOM 1180 CA PRO A 75 -3.825 8.004 -3.881 1.00 0.00 C ATOM 1181 C PRO A 75 -3.568 6.514 -3.443 1.00 0.00 C ATOM 1182 O PRO A 75 -2.477 5.972 -3.542 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.544 8.750 -4.139 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.328 9.515 -2.818 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.776 9.838 -2.341 1.00 0.00 C ATOM 0 HA PRO A 75 -4.413 7.833 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.717 8.073 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.633 9.426 -4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.791 8.910 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.744 10.423 -2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.860 9.753 -1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.057 10.858 -2.603 1.00 0.00 H new ATOM 1193 N VAL A 76 -4.747 5.880 -3.155 1.00 0.00 N ATOM 1194 CA VAL A 76 -4.925 4.444 -3.064 1.00 0.00 C ATOM 1195 C VAL A 76 -4.623 3.797 -4.442 1.00 0.00 C ATOM 1196 O VAL A 76 -4.657 4.439 -5.475 1.00 0.00 O ATOM 1197 CB VAL A 76 -6.380 4.163 -2.588 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -6.722 2.676 -2.542 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -6.772 4.918 -1.328 1.00 0.00 C ATOM 0 H VAL A 76 -5.610 6.395 -2.979 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.235 4.005 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.018 4.581 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.750 2.549 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.613 2.247 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.047 2.169 -1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.799 4.670 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.106 4.636 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.693 5.990 -1.507 1.00 0.00 H new ATOM 1209 N GLU A 77 -4.302 2.471 -4.390 1.00 0.00 N ATOM 1210 CA GLU A 77 -4.292 1.591 -5.561 1.00 0.00 C ATOM 1211 C GLU A 77 -3.979 0.132 -5.135 1.00 0.00 C ATOM 1212 O GLU A 77 -3.172 -0.134 -4.277 1.00 0.00 O ATOM 1213 CB GLU A 77 -3.294 2.085 -6.615 1.00 0.00 C ATOM 1214 CG GLU A 77 -2.027 2.701 -5.978 1.00 0.00 C ATOM 1215 CD GLU A 77 -1.586 4.016 -6.674 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -0.843 3.907 -7.691 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -1.980 5.075 -6.150 1.00 0.00 O ATOM 0 H GLU A 77 -4.045 1.997 -3.524 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.283 1.611 -6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.007 1.254 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.777 2.828 -7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.215 2.899 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.213 1.978 -6.027 1.00 0.00 H new ATOM 1224 N VAL A 78 -4.779 -0.813 -5.728 1.00 0.00 N ATOM 1225 CA VAL A 78 -4.469 -2.251 -5.705 1.00 0.00 C ATOM 1226 C VAL A 78 -3.089 -2.468 -6.379 1.00 0.00 C ATOM 1227 O VAL A 78 -2.716 -1.764 -7.311 1.00 0.00 O ATOM 1228 CB VAL A 78 -5.611 -3.019 -6.390 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -5.642 -2.879 -7.955 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -5.697 -4.496 -5.992 1.00 0.00 C ATOM 0 H VAL A 78 -5.641 -0.586 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.396 -2.635 -4.687 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.499 -2.519 -6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.478 -3.452 -8.355 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.760 -1.829 -8.224 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.709 -3.258 -8.373 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.528 -4.967 -6.518 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.767 -4.999 -6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.857 -4.574 -4.917 1.00 0.00 H new ATOM 1240 N ILE A 79 -2.328 -3.390 -5.791 1.00 0.00 N ATOM 1241 CA ILE A 79 -0.921 -3.788 -6.210 1.00 0.00 C ATOM 1242 C ILE A 79 -1.060 -4.738 -7.429 1.00 0.00 C ATOM 1243 O ILE A 79 -2.146 -5.097 -7.854 1.00 0.00 O ATOM 1244 CB ILE A 79 -0.206 -4.450 -5.008 1.00 0.00 C ATOM 1245 CG1 ILE A 79 -0.372 -3.672 -3.700 1.00 0.00 C ATOM 1246 CG2 ILE A 79 1.256 -4.827 -5.285 1.00 0.00 C ATOM 1247 CD1 ILE A 79 0.350 -4.268 -2.467 1.00 0.00 C ATOM 0 H ILE A 79 -2.654 -3.916 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.313 -2.932 -6.503 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.729 -5.396 -4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.009 -2.656 -3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.436 -3.599 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.688 -5.285 -4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.299 -5.533 -6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.820 -3.931 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.165 -3.638 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.028 -5.272 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.422 -4.314 -2.660 1.00 0.00 H new ATOM 1259 N ASP A 80 0.113 -5.103 -7.980 1.00 0.00 N ATOM 1260 CA ASP A 80 0.325 -6.223 -8.939 1.00 0.00 C ATOM 1261 C ASP A 80 0.562 -7.540 -8.097 1.00 0.00 C ATOM 1262 O ASP A 80 0.606 -7.510 -6.894 1.00 0.00 O ATOM 1263 CB ASP A 80 1.560 -5.948 -9.782 1.00 0.00 C ATOM 1264 CG ASP A 80 1.297 -5.669 -11.264 1.00 0.00 C ATOM 1265 OD1 ASP A 80 0.198 -5.051 -11.516 1.00 0.00 O ATOM 1266 OD2 ASP A 80 2.175 -5.976 -12.102 1.00 0.00 O ATOM 0 H ASP A 80 0.980 -4.610 -7.765 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.539 -6.328 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.086 -5.093 -9.357 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.230 -6.805 -9.705 1.00 0.00 H new ATOM 1271 N SER A 81 0.547 -8.645 -8.865 1.00 0.00 N ATOM 1272 CA SER A 81 0.385 -10.023 -8.362 1.00 0.00 C ATOM 1273 C SER A 81 1.752 -10.742 -8.278 1.00 0.00 C ATOM 1274 O SER A 81 1.990 -11.591 -7.425 1.00 0.00 O ATOM 1275 CB SER A 81 -0.559 -10.761 -9.320 1.00 0.00 C ATOM 1276 OG SER A 81 -1.289 -11.817 -8.668 1.00 0.00 O ATOM 0 H SER A 81 0.650 -8.604 -9.879 1.00 0.00 H new ATOM 0 HA SER A 81 -0.033 -10.010 -7.355 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.263 -10.049 -9.752 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.019 -11.178 -10.145 1.00 0.00 H new ATOM 0 HG SER A 81 -1.878 -12.257 -9.317 1.00 0.00 H new ATOM 1282 N LEU A 82 2.652 -10.310 -9.220 1.00 0.00 N ATOM 1283 CA LEU A 82 4.081 -10.650 -9.264 1.00 0.00 C ATOM 1284 C LEU A 82 4.850 -9.815 -8.240 1.00 0.00 C ATOM 1285 O LEU A 82 5.473 -10.361 -7.325 1.00 0.00 O ATOM 1286 CB LEU A 82 4.508 -10.264 -10.721 1.00 0.00 C ATOM 1287 CG LEU A 82 4.258 -11.243 -11.847 1.00 0.00 C ATOM 1288 CD1 LEU A 82 5.498 -11.947 -12.443 1.00 0.00 C ATOM 1289 CD2 LEU A 82 3.136 -12.256 -11.472 1.00 0.00 C ATOM 0 H LEU A 82 2.375 -9.696 -9.986 1.00 0.00 H new ATOM 0 HA LEU A 82 4.282 -11.695 -9.029 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.000 -9.334 -10.976 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.577 -10.050 -10.704 1.00 0.00 H new ATOM 0 HG LEU A 82 3.919 -10.613 -12.670 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.185 -12.622 -13.240 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.181 -11.200 -12.847 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.003 -12.517 -11.663 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.978 -12.947 -12.300 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.432 -12.815 -10.584 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.211 -11.716 -11.269 1.00 0.00 H new ATOM 1301 N LEU A 83 4.840 -8.463 -8.389 1.00 0.00 N ATOM 1302 CA LEU A 83 5.492 -7.472 -7.495 1.00 0.00 C ATOM 1303 C LEU A 83 5.056 -7.816 -6.042 1.00 0.00 C ATOM 1304 O LEU A 83 5.878 -7.880 -5.131 1.00 0.00 O ATOM 1305 CB LEU A 83 4.921 -6.090 -7.897 1.00 0.00 C ATOM 1306 CG LEU A 83 5.532 -5.349 -9.102 1.00 0.00 C ATOM 1307 CD1 LEU A 83 4.923 -3.949 -9.351 1.00 0.00 C ATOM 1308 CD2 LEU A 83 7.073 -5.301 -9.031 1.00 0.00 C ATOM 0 H LEU A 83 4.357 -8.017 -9.169 1.00 0.00 H new ATOM 0 HA LEU A 83 6.580 -7.476 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.857 -6.219 -8.096 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.006 -5.434 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 83 5.260 -5.944 -9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.405 -3.491 -10.215 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.854 -4.046 -9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.081 -3.322 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.461 -4.770 -9.900 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.379 -4.783 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.469 -6.317 -9.020 1.00 0.00 H new ATOM 1320 N TYR A 84 3.709 -7.959 -5.850 1.00 0.00 N ATOM 1321 CA TYR A 84 3.062 -8.504 -4.654 1.00 0.00 C ATOM 1322 C TYR A 84 3.843 -9.736 -4.119 1.00 0.00 C ATOM 1323 O TYR A 84 4.643 -9.648 -3.196 1.00 0.00 O ATOM 1324 CB TYR A 84 1.595 -8.839 -4.911 1.00 0.00 C ATOM 1325 CG TYR A 84 0.674 -8.949 -3.698 1.00 0.00 C ATOM 1326 CD1 TYR A 84 0.752 -8.000 -2.663 1.00 0.00 C ATOM 1327 CD2 TYR A 84 -0.188 -10.050 -3.640 1.00 0.00 C ATOM 1328 CE1 TYR A 84 -0.007 -8.215 -1.477 1.00 0.00 C ATOM 1329 CE2 TYR A 84 -0.947 -10.257 -2.481 1.00 0.00 C ATOM 1330 CZ TYR A 84 -0.712 -9.413 -1.359 1.00 0.00 C ATOM 1331 OH TYR A 84 -1.211 -9.786 -0.172 1.00 0.00 O ATOM 0 H TYR A 84 3.034 -7.682 -6.563 1.00 0.00 H new ATOM 0 HA TYR A 84 3.082 -7.733 -3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.187 -8.077 -5.575 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.556 -9.785 -5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.376 -7.124 -2.766 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.267 -10.729 -4.476 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.036 -7.473 -0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.692 -11.038 -2.440 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.554 -9.602 0.531 1.00 0.00 H new ATOM 1341 N GLY A 85 3.485 -10.909 -4.710 1.00 0.00 N ATOM 1342 CA GLY A 85 3.845 -12.250 -4.149 1.00 0.00 C ATOM 1343 C GLY A 85 5.334 -12.580 -4.415 1.00 0.00 C ATOM 1344 O GLY A 85 5.795 -13.677 -4.058 1.00 0.00 O ATOM 0 H GLY A 85 2.947 -10.957 -5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.652 -12.263 -3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.213 -13.017 -4.596 1.00 0.00 H new ATOM 1348 N LYS A 86 6.033 -11.629 -5.059 1.00 0.00 N ATOM 1349 CA LYS A 86 7.520 -11.648 -5.156 1.00 0.00 C ATOM 1350 C LYS A 86 8.143 -10.522 -4.307 1.00 0.00 C ATOM 1351 O LYS A 86 9.313 -10.226 -4.362 1.00 0.00 O ATOM 1352 CB LYS A 86 7.971 -11.496 -6.631 1.00 0.00 C ATOM 1353 CG LYS A 86 7.095 -12.369 -7.543 1.00 0.00 C ATOM 1354 CD LYS A 86 7.418 -12.312 -9.033 1.00 0.00 C ATOM 1355 CE LYS A 86 7.399 -13.783 -9.576 1.00 0.00 C ATOM 1356 NZ LYS A 86 8.679 -14.026 -10.262 1.00 0.00 N ATOM 0 H LYS A 86 5.599 -10.832 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 86 7.865 -12.608 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.899 -10.452 -6.936 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.017 -11.786 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.179 -13.404 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.055 -12.074 -7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.687 -11.699 -9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.394 -11.856 -9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 86 7.264 -14.490 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 86 6.564 -13.926 -10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.695 -14.997 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.785 -13.353 -11.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.463 -13.900 -9.590 1.00 0.00 H new ATOM 1370 N VAL A 87 7.223 -9.851 -3.522 1.00 0.00 N ATOM 1371 CA VAL A 87 7.649 -9.120 -2.283 1.00 0.00 C ATOM 1372 C VAL A 87 8.793 -8.188 -2.647 1.00 0.00 C ATOM 1373 O VAL A 87 9.979 -8.413 -2.257 1.00 0.00 O ATOM 1374 CB VAL A 87 7.872 -10.118 -1.173 1.00 0.00 C ATOM 1375 CG1 VAL A 87 9.310 -10.471 -0.800 1.00 0.00 C ATOM 1376 CG2 VAL A 87 6.989 -9.875 0.077 1.00 0.00 C ATOM 0 H VAL A 87 6.224 -9.806 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 87 6.886 -8.457 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 87 7.524 -11.028 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.307 -11.199 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.817 -10.896 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.834 -9.571 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.207 -10.633 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.200 -8.887 0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.937 -9.935 -0.203 1.00 0.00 H new ATOM 1386 N ASP A 88 8.525 -7.182 -3.508 1.00 0.00 N ATOM 1387 CA ASP A 88 9.398 -6.213 -4.132 1.00 0.00 C ATOM 1388 C ASP A 88 9.299 -4.813 -3.524 1.00 0.00 C ATOM 1389 O ASP A 88 8.853 -3.846 -4.184 1.00 0.00 O ATOM 1390 CB ASP A 88 9.046 -6.110 -5.657 1.00 0.00 C ATOM 1391 CG ASP A 88 9.697 -7.302 -6.452 1.00 0.00 C ATOM 1392 OD1 ASP A 88 9.435 -8.439 -6.069 1.00 0.00 O ATOM 1393 OD2 ASP A 88 10.418 -6.960 -7.447 1.00 0.00 O ATOM 0 H ASP A 88 7.562 -7.028 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 88 10.416 -6.567 -3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.964 -6.124 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.403 -5.160 -6.056 1.00 0.00 H new ATOM 1398 N GLY A 89 9.553 -4.719 -2.205 1.00 0.00 N ATOM 1399 CA GLY A 89 9.739 -3.452 -1.451 1.00 0.00 C ATOM 1400 C GLY A 89 9.986 -2.267 -2.399 1.00 0.00 C ATOM 1401 O GLY A 89 9.082 -1.418 -2.587 1.00 0.00 O ATOM 0 H GLY A 89 9.638 -5.544 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.856 -3.256 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.581 -3.554 -0.767 1.00 0.00 H new ATOM 1405 N LEU A 90 11.212 -2.178 -2.945 1.00 0.00 N ATOM 1406 CA LEU A 90 11.725 -1.032 -3.745 1.00 0.00 C ATOM 1407 C LEU A 90 10.925 -0.920 -5.037 1.00 0.00 C ATOM 1408 O LEU A 90 10.976 0.118 -5.718 1.00 0.00 O ATOM 1409 CB LEU A 90 13.197 -1.303 -4.007 1.00 0.00 C ATOM 1410 CG LEU A 90 13.685 -2.280 -5.062 1.00 0.00 C ATOM 1411 CD1 LEU A 90 14.989 -3.049 -4.701 1.00 0.00 C ATOM 1412 CD2 LEU A 90 12.599 -3.237 -5.597 1.00 0.00 C ATOM 0 H LEU A 90 11.902 -2.922 -2.843 1.00 0.00 H new ATOM 0 HA LEU A 90 11.617 -0.082 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.651 -0.341 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.624 -1.633 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 90 13.950 -1.614 -5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 90 15.253 -3.720 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.799 -2.337 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.830 -3.629 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.034 -3.899 -6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.200 -3.831 -4.775 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.794 -2.658 -6.049 1.00 0.00 H new ATOM 1424 N GLY A 91 10.189 -1.985 -5.434 1.00 0.00 N ATOM 1425 CA GLY A 91 9.167 -1.964 -6.522 1.00 0.00 C ATOM 1426 C GLY A 91 7.812 -1.457 -5.956 1.00 0.00 C ATOM 1427 O GLY A 91 6.970 -0.890 -6.717 1.00 0.00 O ATOM 0 H GLY A 91 10.287 -2.904 -5.002 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.499 -1.316 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.047 -2.963 -6.941 1.00 0.00 H new ATOM 1431 N VAL A 92 7.579 -1.728 -4.674 1.00 0.00 N ATOM 1432 CA VAL A 92 6.313 -1.393 -3.965 1.00 0.00 C ATOM 1433 C VAL A 92 6.350 0.074 -3.516 1.00 0.00 C ATOM 1434 O VAL A 92 5.374 0.806 -3.664 1.00 0.00 O ATOM 1435 CB VAL A 92 6.069 -2.414 -2.851 1.00 0.00 C ATOM 1436 CG1 VAL A 92 4.738 -2.166 -2.061 1.00 0.00 C ATOM 1437 CG2 VAL A 92 6.005 -3.875 -3.427 1.00 0.00 C ATOM 0 H VAL A 92 8.263 -2.192 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 92 5.448 -1.470 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 92 6.912 -2.294 -2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.628 -2.925 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.767 -1.179 -1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.892 -2.221 -2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.831 -4.579 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.192 -3.946 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.948 -4.114 -3.918 1.00 0.00 H new ATOM 1447 N LEU A 93 7.491 0.483 -2.919 1.00 0.00 N ATOM 1448 CA LEU A 93 7.944 1.887 -2.738 1.00 0.00 C ATOM 1449 C LEU A 93 7.792 2.681 -4.027 1.00 0.00 C ATOM 1450 O LEU A 93 6.815 3.433 -4.191 1.00 0.00 O ATOM 1451 CB LEU A 93 9.425 1.796 -2.309 1.00 0.00 C ATOM 1452 CG LEU A 93 9.854 2.347 -0.927 1.00 0.00 C ATOM 1453 CD1 LEU A 93 11.264 2.979 -0.932 1.00 0.00 C ATOM 1454 CD2 LEU A 93 8.773 3.219 -0.309 1.00 0.00 C ATOM 0 H LEU A 93 8.156 -0.186 -2.530 1.00 0.00 H new ATOM 0 HA LEU A 93 7.345 2.408 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.711 0.745 -2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.016 2.313 -3.065 1.00 0.00 H new ATOM 0 HG LEU A 93 9.957 1.492 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.502 3.345 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.998 2.229 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.288 3.809 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.112 3.587 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.567 4.064 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.864 2.633 -0.177 1.00 0.00 H new ATOM 1466 N LYS A 94 8.795 2.593 -4.947 1.00 0.00 N ATOM 1467 CA LYS A 94 8.902 3.480 -6.139 1.00 0.00 C ATOM 1468 C LYS A 94 7.565 3.577 -6.892 1.00 0.00 C ATOM 1469 O LYS A 94 7.263 4.604 -7.516 1.00 0.00 O ATOM 1470 CB LYS A 94 10.001 2.986 -7.082 1.00 0.00 C ATOM 1471 CG LYS A 94 11.307 3.787 -6.871 1.00 0.00 C ATOM 1472 CD LYS A 94 12.350 3.646 -8.000 1.00 0.00 C ATOM 1473 CE LYS A 94 11.733 4.234 -9.280 1.00 0.00 C ATOM 1474 NZ LYS A 94 12.779 4.907 -10.092 1.00 0.00 N ATOM 0 H LYS A 94 9.548 1.908 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 94 9.162 4.477 -5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.187 1.926 -6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.671 3.086 -8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.054 4.842 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.763 3.468 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.268 4.173 -7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 94 12.614 2.599 -8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.264 3.442 -9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.950 4.946 -9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.350 5.300 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.208 5.675 -9.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.512 4.218 -10.354 1.00 0.00 H new ATOM 1488 N ALA A 95 6.808 2.461 -6.896 1.00 0.00 N ATOM 1489 CA ALA A 95 5.454 2.347 -7.460 1.00 0.00 C ATOM 1490 C ALA A 95 4.464 3.301 -6.785 1.00 0.00 C ATOM 1491 O ALA A 95 3.729 4.048 -7.459 1.00 0.00 O ATOM 1492 CB ALA A 95 4.934 0.896 -7.324 1.00 0.00 C ATOM 0 H ALA A 95 7.138 1.585 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 95 5.526 2.621 -8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.931 0.828 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.600 0.219 -7.860 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.904 0.617 -6.271 1.00 0.00 H new ATOM 1498 N ALA A 96 4.405 3.237 -5.446 1.00 0.00 N ATOM 1499 CA ALA A 96 3.532 4.033 -4.565 1.00 0.00 C ATOM 1500 C ALA A 96 3.702 5.544 -4.819 1.00 0.00 C ATOM 1501 O ALA A 96 2.712 6.282 -4.911 1.00 0.00 O ATOM 1502 CB ALA A 96 3.833 3.712 -3.088 1.00 0.00 C ATOM 0 H ALA A 96 4.996 2.594 -4.919 1.00 0.00 H new ATOM 0 HA ALA A 96 2.499 3.766 -4.790 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.182 4.306 -2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.656 2.652 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.874 3.950 -2.869 1.00 0.00 H new ATOM 1508 N VAL A 97 4.954 6.012 -4.869 1.00 0.00 N ATOM 1509 CA VAL A 97 5.365 7.377 -5.269 1.00 0.00 C ATOM 1510 C VAL A 97 4.724 7.762 -6.603 1.00 0.00 C ATOM 1511 O VAL A 97 4.208 8.882 -6.778 1.00 0.00 O ATOM 1512 CB VAL A 97 6.895 7.501 -5.225 1.00 0.00 C ATOM 1513 CG1 VAL A 97 7.465 8.651 -6.129 1.00 0.00 C ATOM 1514 CG2 VAL A 97 7.472 7.630 -3.798 1.00 0.00 C ATOM 0 H VAL A 97 5.752 5.427 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 97 4.992 8.111 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 97 7.231 6.550 -5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.551 8.675 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.186 8.470 -7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.054 9.607 -5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.558 7.713 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.063 8.520 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.203 6.748 -3.216 1.00 0.00 H new ATOM 1524 N ALA A 98 4.863 6.865 -7.610 1.00 0.00 N ATOM 1525 CA ALA A 98 4.505 7.125 -9.030 1.00 0.00 C ATOM 1526 C ALA A 98 3.031 7.487 -9.174 1.00 0.00 C ATOM 1527 O ALA A 98 2.645 8.295 -10.030 1.00 0.00 O ATOM 1528 CB ALA A 98 4.827 5.914 -9.903 1.00 0.00 C ATOM 0 H ALA A 98 5.232 5.926 -7.458 1.00 0.00 H new ATOM 0 HA ALA A 98 5.103 7.973 -9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.556 6.128 -10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.894 5.697 -9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.261 5.051 -9.551 1.00 0.00 H new ATOM 1534 N ALA A 99 2.189 6.869 -8.313 1.00 0.00 N ATOM 1535 CA ALA A 99 0.782 7.206 -8.150 1.00 0.00 C ATOM 1536 C ALA A 99 0.597 8.677 -7.679 1.00 0.00 C ATOM 1537 O ALA A 99 0.076 9.502 -8.420 1.00 0.00 O ATOM 1538 CB ALA A 99 0.098 6.276 -7.127 1.00 0.00 C ATOM 0 H ALA A 99 2.490 6.107 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 99 0.319 7.079 -9.129 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.951 6.553 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.170 5.244 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.592 6.373 -6.160 1.00 0.00 H new ATOM 1544 N ILE A 100 1.019 8.916 -6.439 1.00 0.00 N ATOM 1545 CA ILE A 100 0.966 10.241 -5.720 1.00 0.00 C ATOM 1546 C ILE A 100 0.993 11.356 -6.805 1.00 0.00 C ATOM 1547 O ILE A 100 0.103 12.174 -6.921 1.00 0.00 O ATOM 1548 CB ILE A 100 2.120 10.346 -4.707 1.00 0.00 C ATOM 1549 CG1 ILE A 100 1.674 10.543 -3.258 1.00 0.00 C ATOM 1550 CG2 ILE A 100 3.250 11.305 -5.139 1.00 0.00 C ATOM 1551 CD1 ILE A 100 0.682 11.665 -2.951 1.00 0.00 C ATOM 0 H ILE A 100 1.428 8.180 -5.863 1.00 0.00 H new ATOM 0 HA ILE A 100 0.054 10.347 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 100 2.571 9.354 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.233 9.607 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.566 10.714 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.025 11.323 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.679 10.961 -6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.845 12.309 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.465 11.676 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.113 12.622 -3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.240 11.498 -3.507 1.00 0.00 H new ATOM 1563 N LYS A 101 2.080 11.297 -7.620 1.00 0.00 N ATOM 1564 CA LYS A 101 2.316 12.283 -8.693 1.00 0.00 C ATOM 1565 C LYS A 101 1.190 12.335 -9.719 1.00 0.00 C ATOM 1566 O LYS A 101 0.504 13.356 -9.878 1.00 0.00 O ATOM 1567 CB LYS A 101 3.676 12.063 -9.379 1.00 0.00 C ATOM 1568 CG LYS A 101 4.067 13.324 -10.201 1.00 0.00 C ATOM 1569 CD LYS A 101 3.705 13.183 -11.709 1.00 0.00 C ATOM 1570 CE LYS A 101 3.973 14.537 -12.398 1.00 0.00 C ATOM 1571 NZ LYS A 101 2.701 15.198 -12.763 1.00 0.00 N ATOM 0 H LYS A 101 2.800 10.578 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 101 2.335 13.256 -8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.441 11.855 -8.631 1.00 0.00 H new ATOM 0 HB3 LYS A 101 3.626 11.193 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.560 14.196 -9.788 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.138 13.502 -10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.302 12.397 -12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.659 12.899 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.546 15.182 -11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.578 14.383 -13.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.903 16.107 -13.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.168 14.589 -13.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.137 15.363 -11.905 1.00 0.00 H new ATOM 1585 N LYS A 102 1.013 11.239 -10.490 1.00 0.00 N ATOM 1586 CA LYS A 102 -0.098 11.099 -11.474 1.00 0.00 C ATOM 1587 C LYS A 102 -1.330 11.922 -11.082 1.00 0.00 C ATOM 1588 O LYS A 102 -1.951 12.555 -11.955 1.00 0.00 O ATOM 1589 CB LYS A 102 -0.421 9.668 -11.791 1.00 0.00 C ATOM 1590 CG LYS A 102 0.299 9.156 -13.047 1.00 0.00 C ATOM 1591 CD LYS A 102 -0.187 9.814 -14.357 1.00 0.00 C ATOM 1592 CE LYS A 102 -0.270 8.742 -15.456 1.00 0.00 C ATOM 1593 NZ LYS A 102 0.661 9.083 -16.570 1.00 0.00 N ATOM 0 H LYS A 102 1.630 10.427 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 102 0.265 11.527 -12.409 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.147 9.042 -10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.497 9.566 -11.929 1.00 0.00 H new ATOM 0 HG2 LYS A 102 1.369 9.333 -12.938 1.00 0.00 H new ATOM 0 HG3 LYS A 102 0.160 8.077 -13.120 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -1.163 10.275 -14.207 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.498 10.607 -14.656 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.015 7.766 -15.044 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.291 8.673 -15.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.600 8.354 -17.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.399 10.006 -16.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.635 9.127 -16.207 1.00 0.00 H new ATOM 1607 N ALA A 103 -1.706 11.841 -9.805 1.00 0.00 N ATOM 1608 CA ALA A 103 -2.928 12.473 -9.254 1.00 0.00 C ATOM 1609 C ALA A 103 -3.045 13.946 -9.638 1.00 0.00 C ATOM 1610 O ALA A 103 -4.076 14.406 -10.072 1.00 0.00 O ATOM 1611 CB ALA A 103 -2.964 12.296 -7.728 1.00 0.00 C ATOM 0 H ALA A 103 -1.169 11.329 -9.105 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.789 11.970 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.865 12.763 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.968 11.233 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.085 12.766 -7.286 1.00 0.00 H new ATOM 1617 N ALA A 104 -1.937 14.691 -9.423 1.00 0.00 N ATOM 1618 CA ALA A 104 -1.920 16.151 -9.350 1.00 0.00 C ATOM 1619 C ALA A 104 -2.802 16.808 -10.418 1.00 0.00 C ATOM 1620 O ALA A 104 -3.002 16.323 -11.521 1.00 0.00 O ATOM 1621 CB ALA A 104 -0.484 16.704 -9.422 1.00 0.00 C ATOM 0 H ALA A 104 -1.015 14.275 -9.294 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.343 16.409 -8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.510 17.792 -9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.099 16.311 -8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.024 16.401 -10.363 1.00 0.00 H new ATOM 1627 N ALA A 105 -3.450 17.959 -10.014 1.00 0.00 N ATOM 1628 CA ALA A 105 -4.011 18.962 -10.915 1.00 0.00 C ATOM 1629 C ALA A 105 -5.528 19.132 -10.769 1.00 0.00 C ATOM 1630 O ALA A 105 -6.257 18.230 -10.335 1.00 0.00 O ATOM 1631 CB ALA A 105 -3.640 18.698 -12.380 1.00 0.00 C ATOM 0 H ALA A 105 -3.584 18.192 -9.030 1.00 0.00 H new ATOM 0 HA ALA A 105 -3.554 19.903 -10.610 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.080 19.470 -13.012 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -2.556 18.714 -12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -4.021 17.722 -12.682 1.00 0.00 H new ATOM 1637 N ASN A 106 -6.009 20.365 -11.100 1.00 0.00 N ATOM 1638 CA ASN A 106 -7.432 20.735 -11.137 1.00 0.00 C ATOM 1639 C ASN A 106 -8.055 20.334 -12.512 1.00 0.00 C ATOM 1640 O ASN A 106 -7.315 20.083 -13.470 1.00 0.00 O ATOM 1641 CB ASN A 106 -7.619 22.223 -10.855 1.00 0.00 C ATOM 1642 CG ASN A 106 -8.892 22.836 -11.519 1.00 0.00 C ATOM 1643 OD1 ASN A 106 -8.871 23.430 -12.603 1.00 0.00 O ATOM 1644 ND2 ASN A 106 -10.053 22.666 -10.867 1.00 0.00 N ATOM 0 H ASN A 106 -5.393 21.138 -11.352 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.954 20.188 -10.352 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -7.674 22.375 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.741 22.763 -11.208 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.920 23.027 -11.266 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.069 22.176 -9.973 1.00 0.00 H new TER 1651 ASN A 106