USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 863 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 34 TYR OH : rot 180:sc= -0.693 USER MOD Set 1.2: A 102 LYS NZ :NH3+ -161:sc= -0.0752 (180deg=-0.525) USER MOD Set 2.1: A 98 LYS NZ :NH3+ -136:sc= -0.123 (180deg=-0.584) USER MOD Set 2.2: A 101 ASN : amide:sc= -0.377 K(o=-0.5,f=-1.4) USER MOD Set 3.1: A 4 CYS SG : rot -114:sc= -1.54 USER MOD Set 3.2: A 20 CYS SG : rot 180:sc= 0.186 USER MOD Single : A 1 MET CE :methyl -114:sc= -8.58! (180deg=-10.2!) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0.375 (180deg=0.306) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 130:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -3.75! C(o=-3.8!,f=-4.4!) USER MOD Single : A 10 SER OG : rot -96:sc= 0.688 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 166:sc= -2.82 (180deg=-3.99!) USER MOD Single : A 29 SER OG : rot 120:sc= -1.25 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.042) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0271 USER MOD Single : A 45 MET CE :methyl -129:sc= -2.1 (180deg=-4.25!) USER MOD Single : A 46 MET CE :methyl -177:sc= -2.37 (180deg=-2.48) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 58:sc= 0.919 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -67:sc= -0.928 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.165 F(o=-1.9!,f=-0.17) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -150:sc= -0.602 (180deg=-5.03!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.176 USER MOD Single : A 80 SER OG : rot 180:sc= -0.408 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.501 K(o=0.5,f=-0.14) USER MOD Single : A 88 MET CE :methyl -150:sc= -8.07! (180deg=-12.5!) USER MOD Single : A 89 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0727) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= -0.0869 (180deg=-0.475) USER MOD Single : A 95 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.417 -0.525 -0.056 1.00 22.22 N ATOM 2 CA MET A 1 2.037 -0.249 -1.347 1.00 32.32 C ATOM 3 C MET A 1 3.382 -0.959 -1.467 1.00 74.11 C ATOM 4 O MET A 1 3.897 -1.505 -0.491 1.00 3.10 O ATOM 5 CB MET A 1 2.224 1.257 -1.535 1.00 55.43 C ATOM 6 CG MET A 1 2.379 2.019 -0.229 1.00 32.32 C ATOM 7 SD MET A 1 3.787 1.451 0.743 1.00 23.40 S ATOM 8 CE MET A 1 5.091 1.511 -0.483 1.00 43.23 C ATOM 0 H1 MET A 1 0.511 -0.018 0.010 1.00 22.22 H new ATOM 0 H2 MET A 1 1.249 -1.547 0.037 1.00 22.22 H new ATOM 0 H3 MET A 1 2.048 -0.207 0.707 1.00 22.22 H new ATOM 0 HA MET A 1 1.376 -0.626 -2.127 1.00 32.32 H new ATOM 0 HB2 MET A 1 3.104 1.431 -2.154 1.00 55.43 H new ATOM 0 HB3 MET A 1 1.368 1.656 -2.079 1.00 55.43 H new ATOM 0 HG2 MET A 1 2.496 3.081 -0.444 1.00 32.32 H new ATOM 0 HG3 MET A 1 1.468 1.911 0.360 1.00 32.32 H new ATOM 0 HE1 MET A 1 5.441 0.500 -0.692 1.00 43.23 H new ATOM 0 HE2 MET A 1 4.708 1.959 -1.400 1.00 43.23 H new ATOM 0 HE3 MET A 1 5.919 2.110 -0.104 1.00 43.23 H new ATOM 18 N THR A 2 3.946 -0.949 -2.671 1.00 12.21 N ATOM 19 CA THR A 2 5.230 -1.593 -2.919 1.00 15.40 C ATOM 20 C THR A 2 6.347 -0.563 -3.042 1.00 15.41 C ATOM 21 O THR A 2 6.225 0.415 -3.781 1.00 51.21 O ATOM 22 CB THR A 2 5.191 -2.447 -4.200 1.00 63.01 C ATOM 23 OG1 THR A 2 3.898 -3.043 -4.353 1.00 41.43 O ATOM 24 CG2 THR A 2 6.254 -3.534 -4.157 1.00 62.42 C ATOM 0 H THR A 2 3.533 -0.502 -3.490 1.00 12.21 H new ATOM 0 HA THR A 2 5.429 -2.241 -2.065 1.00 15.40 H new ATOM 0 HB THR A 2 5.393 -1.796 -5.051 1.00 63.01 H new ATOM 0 HG1 THR A 2 3.881 -3.583 -5.171 1.00 41.43 H new ATOM 0 HG21 THR A 2 6.208 -4.125 -5.072 1.00 62.42 H new ATOM 0 HG22 THR A 2 7.239 -3.076 -4.070 1.00 62.42 H new ATOM 0 HG23 THR A 2 6.078 -4.181 -3.298 1.00 62.42 H new ATOM 32 N LEU A 3 7.435 -0.788 -2.314 1.00 51.42 N ATOM 33 CA LEU A 3 8.576 0.121 -2.342 1.00 55.54 C ATOM 34 C LEU A 3 9.822 -0.585 -2.866 1.00 0.13 C ATOM 35 O LEU A 3 10.229 -1.620 -2.337 1.00 73.42 O ATOM 36 CB LEU A 3 8.842 0.681 -0.944 1.00 33.12 C ATOM 37 CG LEU A 3 8.934 2.203 -0.836 1.00 52.42 C ATOM 38 CD1 LEU A 3 7.794 2.862 -1.598 1.00 1.34 C ATOM 39 CD2 LEU A 3 8.924 2.636 0.623 1.00 52.54 C ATOM 0 H LEU A 3 7.551 -1.592 -1.697 1.00 51.42 H new ATOM 0 HA LEU A 3 8.337 0.944 -3.016 1.00 55.54 H new ATOM 0 HB2 LEU A 3 8.049 0.337 -0.280 1.00 33.12 H new ATOM 0 HB3 LEU A 3 9.774 0.254 -0.575 1.00 33.12 H new ATOM 0 HG LEU A 3 9.875 2.524 -1.282 1.00 52.42 H new ATOM 0 HD11 LEU A 3 7.876 3.945 -1.510 1.00 1.34 H new ATOM 0 HD12 LEU A 3 7.847 2.578 -2.649 1.00 1.34 H new ATOM 0 HD13 LEU A 3 6.841 2.535 -1.182 1.00 1.34 H new ATOM 0 HD21 LEU A 3 8.990 3.722 0.681 1.00 52.54 H new ATOM 0 HD22 LEU A 3 8.000 2.303 1.095 1.00 52.54 H new ATOM 0 HD23 LEU A 3 9.775 2.193 1.140 1.00 52.54 H new ATOM 51 N CYS A 4 10.425 -0.018 -3.905 1.00 13.23 N ATOM 52 CA CYS A 4 11.626 -0.593 -4.499 1.00 5.51 C ATOM 53 C CYS A 4 12.803 0.372 -4.388 1.00 55.20 C ATOM 54 O CYS A 4 12.623 1.590 -4.405 1.00 23.40 O ATOM 55 CB CYS A 4 11.377 -0.945 -5.966 1.00 13.00 C ATOM 56 SG CYS A 4 12.155 -2.488 -6.497 1.00 62.03 S ATOM 0 H CYS A 4 10.102 0.839 -4.353 1.00 13.23 H new ATOM 0 HA CYS A 4 11.872 -1.503 -3.951 1.00 5.51 H new ATOM 0 HB2 CYS A 4 10.302 -1.016 -6.134 1.00 13.00 H new ATOM 0 HB3 CYS A 4 11.745 -0.131 -6.591 1.00 13.00 H new ATOM 0 HG CYS A 4 13.080 -2.229 -7.373 1.00 62.03 H new ATOM 62 N ALA A 5 14.006 -0.180 -4.273 1.00 33.40 N ATOM 63 CA ALA A 5 15.211 0.631 -4.160 1.00 23.15 C ATOM 64 C ALA A 5 16.320 0.096 -5.060 1.00 54.22 C ATOM 65 O ALA A 5 16.502 -1.115 -5.184 1.00 13.52 O ATOM 66 CB ALA A 5 15.681 0.679 -2.713 1.00 60.31 C ATOM 0 H ALA A 5 14.172 -1.186 -4.256 1.00 33.40 H new ATOM 0 HA ALA A 5 14.970 1.643 -4.487 1.00 23.15 H new ATOM 0 HB1 ALA A 5 16.582 1.288 -2.643 1.00 60.31 H new ATOM 0 HB2 ALA A 5 14.899 1.115 -2.091 1.00 60.31 H new ATOM 0 HB3 ALA A 5 15.899 -0.332 -2.367 1.00 60.31 H new ATOM 72 N MET A 6 17.057 1.007 -5.688 1.00 33.23 N ATOM 73 CA MET A 6 18.148 0.625 -6.577 1.00 53.51 C ATOM 74 C MET A 6 19.490 1.086 -6.019 1.00 4.31 C ATOM 75 O MET A 6 19.681 2.268 -5.730 1.00 51.15 O ATOM 76 CB MET A 6 17.930 1.220 -7.970 1.00 22.21 C ATOM 77 CG MET A 6 19.081 0.960 -8.928 1.00 62.41 C ATOM 78 SD MET A 6 19.067 2.070 -10.349 1.00 12.03 S ATOM 79 CE MET A 6 17.702 1.395 -11.292 1.00 64.14 C ATOM 0 H MET A 6 16.919 2.014 -5.598 1.00 33.23 H new ATOM 0 HA MET A 6 18.160 -0.462 -6.652 1.00 53.51 H new ATOM 0 HB2 MET A 6 17.015 0.807 -8.394 1.00 22.21 H new ATOM 0 HB3 MET A 6 17.781 2.296 -7.877 1.00 22.21 H new ATOM 0 HG2 MET A 6 20.025 1.071 -8.394 1.00 62.41 H new ATOM 0 HG3 MET A 6 19.032 -0.071 -9.277 1.00 62.41 H new ATOM 0 HE1 MET A 6 17.567 1.976 -12.204 1.00 64.14 H new ATOM 0 HE2 MET A 6 17.916 0.358 -11.551 1.00 64.14 H new ATOM 0 HE3 MET A 6 16.791 1.439 -10.696 1.00 64.14 H new ATOM 89 N TYR A 7 20.417 0.147 -5.869 1.00 24.22 N ATOM 90 CA TYR A 7 21.741 0.457 -5.342 1.00 63.44 C ATOM 91 C TYR A 7 22.829 0.054 -6.333 1.00 64.30 C ATOM 92 O TYR A 7 22.675 -0.908 -7.085 1.00 13.42 O ATOM 93 CB TYR A 7 21.962 -0.257 -4.007 1.00 41.43 C ATOM 94 CG TYR A 7 22.343 -1.713 -4.154 1.00 55.43 C ATOM 95 CD1 TYR A 7 21.390 -2.671 -4.476 1.00 34.25 C ATOM 96 CD2 TYR A 7 23.656 -2.129 -3.973 1.00 33.32 C ATOM 97 CE1 TYR A 7 21.733 -4.003 -4.610 1.00 12.51 C ATOM 98 CE2 TYR A 7 24.008 -3.458 -4.107 1.00 23.33 C ATOM 99 CZ TYR A 7 23.043 -4.391 -4.425 1.00 23.12 C ATOM 100 OH TYR A 7 23.389 -5.716 -4.559 1.00 64.12 O ATOM 0 H TYR A 7 20.276 -0.835 -6.105 1.00 24.22 H new ATOM 0 HA TYR A 7 21.799 1.534 -5.184 1.00 63.44 H new ATOM 0 HB2 TYR A 7 22.745 0.261 -3.453 1.00 41.43 H new ATOM 0 HB3 TYR A 7 21.051 -0.187 -3.412 1.00 41.43 H new ATOM 0 HD1 TYR A 7 20.364 -2.370 -4.624 1.00 34.25 H new ATOM 0 HD2 TYR A 7 24.414 -1.401 -3.723 1.00 33.32 H new ATOM 0 HE1 TYR A 7 20.979 -4.736 -4.858 1.00 12.51 H new ATOM 0 HE2 TYR A 7 25.033 -3.765 -3.964 1.00 23.33 H new ATOM 0 HH TYR A 7 24.163 -5.793 -5.155 1.00 64.12 H new ATOM 110 N ASN A 8 23.931 0.797 -6.326 1.00 42.03 N ATOM 111 CA ASN A 8 25.047 0.518 -7.224 1.00 14.53 C ATOM 112 C ASN A 8 26.342 0.334 -6.440 1.00 24.11 C ATOM 113 O ASN A 8 26.641 1.102 -5.525 1.00 41.43 O ATOM 114 CB ASN A 8 25.208 1.653 -8.238 1.00 31.32 C ATOM 115 CG ASN A 8 25.668 2.945 -7.591 1.00 42.04 C ATOM 116 OD1 ASN A 8 26.825 3.074 -7.192 1.00 4.42 O ATOM 117 ND2 ASN A 8 24.761 3.909 -7.486 1.00 3.33 N ATOM 0 H ASN A 8 24.076 1.596 -5.709 1.00 42.03 H new ATOM 0 HA ASN A 8 24.831 -0.408 -7.756 1.00 14.53 H new ATOM 0 HB2 ASN A 8 25.927 1.356 -9.001 1.00 31.32 H new ATOM 0 HB3 ASN A 8 24.258 1.822 -8.744 1.00 31.32 H new ATOM 0 HD21 ASN A 8 25.012 4.801 -7.060 1.00 3.33 H new ATOM 0 HD22 ASN A 8 23.813 3.757 -7.831 1.00 3.33 H new ATOM 124 N ILE A 9 27.108 -0.689 -6.805 1.00 73.01 N ATOM 125 CA ILE A 9 28.372 -0.973 -6.137 1.00 71.15 C ATOM 126 C ILE A 9 29.548 -0.804 -7.093 1.00 23.20 C ATOM 127 O ILE A 9 29.539 -1.333 -8.204 1.00 64.34 O ATOM 128 CB ILE A 9 28.395 -2.401 -5.560 1.00 1.42 C ATOM 129 CG1 ILE A 9 27.748 -3.381 -6.540 1.00 32.43 C ATOM 130 CG2 ILE A 9 27.684 -2.440 -4.215 1.00 50.45 C ATOM 131 CD1 ILE A 9 26.254 -3.525 -6.352 1.00 53.05 C ATOM 0 H ILE A 9 26.875 -1.335 -7.560 1.00 73.01 H new ATOM 0 HA ILE A 9 28.465 -0.258 -5.319 1.00 71.15 H new ATOM 0 HB ILE A 9 29.432 -2.700 -5.409 1.00 1.42 H new ATOM 0 HG12 ILE A 9 27.948 -3.049 -7.559 1.00 32.43 H new ATOM 0 HG13 ILE A 9 28.216 -4.359 -6.426 1.00 32.43 H new ATOM 0 HG21 ILE A 9 27.708 -3.456 -3.820 1.00 50.45 H new ATOM 0 HG22 ILE A 9 28.185 -1.768 -3.519 1.00 50.45 H new ATOM 0 HG23 ILE A 9 26.648 -2.125 -4.342 1.00 50.45 H new ATOM 0 HD11 ILE A 9 25.862 -4.235 -7.080 1.00 53.05 H new ATOM 0 HD12 ILE A 9 26.047 -3.887 -5.345 1.00 53.05 H new ATOM 0 HD13 ILE A 9 25.774 -2.557 -6.495 1.00 53.05 H new ATOM 143 N SER A 10 30.561 -0.065 -6.651 1.00 53.35 N ATOM 144 CA SER A 10 31.745 0.176 -7.468 1.00 74.21 C ATOM 145 C SER A 10 32.982 -0.444 -6.827 1.00 22.44 C ATOM 146 O SER A 10 33.310 -0.154 -5.677 1.00 3.42 O ATOM 147 CB SER A 10 31.957 1.678 -7.666 1.00 22.12 C ATOM 148 OG SER A 10 32.633 1.942 -8.883 1.00 23.51 O ATOM 0 H SER A 10 30.586 0.377 -5.732 1.00 53.35 H new ATOM 0 HA SER A 10 31.587 -0.292 -8.440 1.00 74.21 H new ATOM 0 HB2 SER A 10 30.994 2.188 -7.664 1.00 22.12 H new ATOM 0 HB3 SER A 10 32.532 2.080 -6.832 1.00 22.12 H new ATOM 0 HG SER A 10 33.593 2.039 -8.710 1.00 23.51 H new ATOM 154 N MET A 11 33.665 -1.301 -7.579 1.00 51.35 N ATOM 155 CA MET A 11 34.867 -1.962 -7.085 1.00 43.25 C ATOM 156 C MET A 11 36.113 -1.153 -7.431 1.00 4.30 C ATOM 157 O MET A 11 37.232 -1.551 -7.110 1.00 24.52 O ATOM 158 CB MET A 11 34.980 -3.369 -7.674 1.00 74.50 C ATOM 159 CG MET A 11 35.183 -3.384 -9.180 1.00 55.14 C ATOM 160 SD MET A 11 33.660 -3.729 -10.083 1.00 43.21 S ATOM 161 CE MET A 11 33.981 -2.876 -11.625 1.00 74.13 C ATOM 0 H MET A 11 33.406 -1.554 -8.533 1.00 51.35 H new ATOM 0 HA MET A 11 34.791 -2.035 -6.000 1.00 43.25 H new ATOM 0 HB2 MET A 11 35.813 -3.887 -7.198 1.00 74.50 H new ATOM 0 HB3 MET A 11 34.077 -3.929 -7.432 1.00 74.50 H new ATOM 0 HG2 MET A 11 35.579 -2.420 -9.499 1.00 55.14 H new ATOM 0 HG3 MET A 11 35.930 -4.136 -9.435 1.00 55.14 H new ATOM 0 HE1 MET A 11 33.128 -2.997 -12.292 1.00 74.13 H new ATOM 0 HE2 MET A 11 34.140 -1.816 -11.428 1.00 74.13 H new ATOM 0 HE3 MET A 11 34.871 -3.296 -12.095 1.00 74.13 H new ATOM 171 N ALA A 12 35.912 -0.015 -8.087 1.00 54.14 N ATOM 172 CA ALA A 12 37.019 0.850 -8.475 1.00 12.45 C ATOM 173 C ALA A 12 36.519 2.076 -9.232 1.00 30.01 C ATOM 174 O ALA A 12 35.325 2.372 -9.234 1.00 71.13 O ATOM 175 CB ALA A 12 38.022 0.078 -9.319 1.00 53.41 C ATOM 0 H ALA A 12 34.992 0.330 -8.361 1.00 54.14 H new ATOM 0 HA ALA A 12 37.514 1.194 -7.567 1.00 12.45 H new ATOM 0 HB1 ALA A 12 38.843 0.737 -9.601 1.00 53.41 H new ATOM 0 HB2 ALA A 12 38.412 -0.762 -8.744 1.00 53.41 H new ATOM 0 HB3 ALA A 12 37.531 -0.295 -10.218 1.00 53.41 H new ATOM 181 N GLY A 13 37.442 2.786 -9.874 1.00 14.41 N ATOM 182 CA GLY A 13 37.075 3.972 -10.625 1.00 55.43 C ATOM 183 C GLY A 13 36.630 3.649 -12.038 1.00 13.31 C ATOM 184 O GLY A 13 37.019 4.327 -12.989 1.00 13.32 O ATOM 0 H GLY A 13 38.437 2.561 -9.887 1.00 14.41 H new ATOM 0 HA2 GLY A 13 36.272 4.494 -10.105 1.00 55.43 H new ATOM 0 HA3 GLY A 13 37.926 4.653 -10.662 1.00 55.43 H new ATOM 188 N SER A 14 35.813 2.609 -12.176 1.00 44.54 N ATOM 189 CA SER A 14 35.320 2.194 -13.484 1.00 53.11 C ATOM 190 C SER A 14 33.816 1.941 -13.442 1.00 13.52 C ATOM 191 O SER A 14 33.240 1.731 -12.374 1.00 34.31 O ATOM 192 CB SER A 14 36.047 0.932 -13.950 1.00 24.51 C ATOM 193 OG SER A 14 35.721 0.621 -15.293 1.00 52.15 O ATOM 0 H SER A 14 35.479 2.039 -11.399 1.00 44.54 H new ATOM 0 HA SER A 14 35.516 3.000 -14.191 1.00 53.11 H new ATOM 0 HB2 SER A 14 37.124 1.074 -13.858 1.00 24.51 H new ATOM 0 HB3 SER A 14 35.779 0.095 -13.305 1.00 24.51 H new ATOM 0 HG SER A 14 36.200 -0.189 -15.567 1.00 52.15 H new ATOM 199 N HIS A 15 33.185 1.964 -14.612 1.00 10.43 N ATOM 200 CA HIS A 15 31.747 1.737 -14.710 1.00 5.52 C ATOM 201 C HIS A 15 31.280 0.748 -13.647 1.00 12.12 C ATOM 202 O HIS A 15 31.496 -0.460 -13.750 1.00 52.41 O ATOM 203 CB HIS A 15 31.386 1.218 -16.101 1.00 73.44 C ATOM 204 CG HIS A 15 31.160 2.304 -17.107 1.00 13.42 C ATOM 205 ND1 HIS A 15 30.367 2.144 -18.224 1.00 31.45 N ATOM 206 CD2 HIS A 15 31.626 3.574 -17.158 1.00 65.13 C ATOM 207 CE1 HIS A 15 30.357 3.267 -18.919 1.00 62.43 C ATOM 208 NE2 HIS A 15 31.114 4.151 -18.294 1.00 74.31 N ATOM 0 H HIS A 15 33.646 2.137 -15.505 1.00 10.43 H new ATOM 0 HA HIS A 15 31.241 2.688 -14.543 1.00 5.52 H new ATOM 0 HB2 HIS A 15 32.185 0.567 -16.455 1.00 73.44 H new ATOM 0 HB3 HIS A 15 30.486 0.608 -16.029 1.00 73.44 H new ATOM 0 HD2 HIS A 15 32.279 4.046 -16.439 1.00 65.13 H new ATOM 0 HE1 HIS A 15 29.821 3.434 -19.842 1.00 62.43 H new ATOM 0 HE2 HIS A 15 31.290 5.107 -18.605 1.00 74.31 H new ATOM 216 N PRO A 16 30.624 1.270 -12.599 1.00 63.13 N ATOM 217 CA PRO A 16 30.113 0.450 -11.497 1.00 71.21 C ATOM 218 C PRO A 16 28.938 -0.425 -11.922 1.00 1.43 C ATOM 219 O PRO A 16 28.559 -0.448 -13.093 1.00 50.03 O ATOM 220 CB PRO A 16 29.663 1.485 -10.464 1.00 13.53 C ATOM 221 CG PRO A 16 29.364 2.709 -11.259 1.00 44.31 C ATOM 222 CD PRO A 16 30.331 2.701 -12.411 1.00 23.43 C ATOM 0 HA PRO A 16 30.865 -0.246 -11.124 1.00 71.21 H new ATOM 0 HB2 PRO A 16 28.784 1.143 -9.918 1.00 13.53 H new ATOM 0 HB3 PRO A 16 30.443 1.673 -9.726 1.00 13.53 H new ATOM 0 HG2 PRO A 16 28.334 2.701 -11.614 1.00 44.31 H new ATOM 0 HG3 PRO A 16 29.486 3.607 -10.653 1.00 44.31 H new ATOM 0 HD2 PRO A 16 29.893 3.143 -13.306 1.00 23.43 H new ATOM 0 HD3 PRO A 16 31.233 3.269 -12.183 1.00 23.43 H new ATOM 230 N THR A 17 28.364 -1.143 -10.962 1.00 71.40 N ATOM 231 CA THR A 17 27.232 -2.020 -11.237 1.00 4.03 C ATOM 232 C THR A 17 25.976 -1.535 -10.523 1.00 75.41 C ATOM 233 O THR A 17 25.997 -1.260 -9.323 1.00 31.21 O ATOM 234 CB THR A 17 27.527 -3.469 -10.806 1.00 60.32 C ATOM 235 OG1 THR A 17 28.894 -3.794 -11.082 1.00 2.13 O ATOM 236 CG2 THR A 17 26.613 -4.446 -11.531 1.00 12.51 C ATOM 0 H THR A 17 28.664 -1.135 -9.987 1.00 71.40 H new ATOM 0 HA THR A 17 27.067 -1.996 -12.314 1.00 4.03 H new ATOM 0 HB THR A 17 27.344 -3.550 -9.735 1.00 60.32 H new ATOM 0 HG1 THR A 17 29.074 -4.716 -10.803 1.00 2.13 H new ATOM 0 HG21 THR A 17 26.840 -5.463 -11.210 1.00 12.51 H new ATOM 0 HG22 THR A 17 25.574 -4.215 -11.296 1.00 12.51 H new ATOM 0 HG23 THR A 17 26.770 -4.361 -12.606 1.00 12.51 H new ATOM 244 N THR A 18 24.879 -1.433 -11.268 1.00 64.34 N ATOM 245 CA THR A 18 23.613 -0.981 -10.707 1.00 33.51 C ATOM 246 C THR A 18 22.645 -2.145 -10.526 1.00 21.41 C ATOM 247 O THR A 18 22.609 -3.067 -11.342 1.00 32.12 O ATOM 248 CB THR A 18 22.952 0.087 -11.599 1.00 31.42 C ATOM 249 OG1 THR A 18 23.931 0.683 -12.457 1.00 23.52 O ATOM 250 CG2 THR A 18 22.289 1.163 -10.753 1.00 11.20 C ATOM 0 H THR A 18 24.843 -1.658 -12.262 1.00 64.34 H new ATOM 0 HA THR A 18 23.837 -0.543 -9.734 1.00 33.51 H new ATOM 0 HB THR A 18 22.187 -0.399 -12.205 1.00 31.42 H new ATOM 0 HG1 THR A 18 23.502 1.359 -13.022 1.00 23.52 H new ATOM 0 HG21 THR A 18 21.829 1.906 -11.404 1.00 11.20 H new ATOM 0 HG22 THR A 18 21.524 0.710 -10.122 1.00 11.20 H new ATOM 0 HG23 THR A 18 23.038 1.645 -10.125 1.00 11.20 H new ATOM 258 N ILE A 19 21.863 -2.097 -9.453 1.00 54.12 N ATOM 259 CA ILE A 19 20.893 -3.147 -9.167 1.00 63.22 C ATOM 260 C ILE A 19 19.614 -2.568 -8.573 1.00 1.31 C ATOM 261 O ILE A 19 19.658 -1.640 -7.764 1.00 21.33 O ATOM 262 CB ILE A 19 21.469 -4.195 -8.196 1.00 15.22 C ATOM 263 CG1 ILE A 19 22.240 -5.268 -8.967 1.00 35.10 C ATOM 264 CG2 ILE A 19 20.353 -4.824 -7.374 1.00 4.42 C ATOM 265 CD1 ILE A 19 22.614 -6.467 -8.123 1.00 52.35 C ATOM 0 H ILE A 19 21.882 -1.342 -8.767 1.00 54.12 H new ATOM 0 HA ILE A 19 20.662 -3.631 -10.116 1.00 63.22 H new ATOM 0 HB ILE A 19 22.160 -3.698 -7.515 1.00 15.22 H new ATOM 0 HG12 ILE A 19 21.636 -5.602 -9.811 1.00 35.10 H new ATOM 0 HG13 ILE A 19 23.147 -4.827 -9.379 1.00 35.10 H new ATOM 0 HG21 ILE A 19 20.775 -5.563 -6.692 1.00 4.42 H new ATOM 0 HG22 ILE A 19 19.843 -4.050 -6.800 1.00 4.42 H new ATOM 0 HG23 ILE A 19 19.640 -5.310 -8.040 1.00 4.42 H new ATOM 0 HD11 ILE A 19 23.158 -7.187 -8.734 1.00 52.35 H new ATOM 0 HD12 ILE A 19 23.244 -6.146 -7.294 1.00 52.35 H new ATOM 0 HD13 ILE A 19 21.710 -6.933 -7.732 1.00 52.35 H new ATOM 277 N CYS A 20 18.477 -3.121 -8.978 1.00 74.21 N ATOM 278 CA CYS A 20 17.184 -2.660 -8.485 1.00 34.11 C ATOM 279 C CYS A 20 16.383 -3.816 -7.894 1.00 63.31 C ATOM 280 O CYS A 20 16.036 -4.767 -8.595 1.00 22.00 O ATOM 281 CB CYS A 20 16.390 -1.999 -9.613 1.00 5.31 C ATOM 282 SG CYS A 20 14.776 -1.361 -9.105 1.00 64.51 S ATOM 0 H CYS A 20 18.424 -3.889 -9.647 1.00 74.21 H new ATOM 0 HA CYS A 20 17.364 -1.927 -7.699 1.00 34.11 H new ATOM 0 HB2 CYS A 20 16.979 -1.180 -10.026 1.00 5.31 H new ATOM 0 HB3 CYS A 20 16.246 -2.724 -10.415 1.00 5.31 H new ATOM 0 HG CYS A 20 14.182 -0.820 -10.127 1.00 64.51 H new ATOM 288 N VAL A 21 16.095 -3.729 -6.599 1.00 72.05 N ATOM 289 CA VAL A 21 15.336 -4.768 -5.914 1.00 11.04 C ATOM 290 C VAL A 21 14.397 -4.167 -4.873 1.00 43.14 C ATOM 291 O VAL A 21 14.676 -3.111 -4.306 1.00 45.41 O ATOM 292 CB VAL A 21 16.268 -5.781 -5.223 1.00 45.12 C ATOM 293 CG1 VAL A 21 17.034 -6.592 -6.257 1.00 24.42 C ATOM 294 CG2 VAL A 21 17.224 -5.067 -4.279 1.00 31.22 C ATOM 0 H VAL A 21 16.376 -2.950 -6.004 1.00 72.05 H new ATOM 0 HA VAL A 21 14.750 -5.284 -6.674 1.00 11.04 H new ATOM 0 HB VAL A 21 15.659 -6.468 -4.635 1.00 45.12 H new ATOM 0 HG11 VAL A 21 17.687 -7.303 -5.751 1.00 24.42 H new ATOM 0 HG12 VAL A 21 16.330 -7.133 -6.889 1.00 24.42 H new ATOM 0 HG13 VAL A 21 17.634 -5.922 -6.873 1.00 24.42 H new ATOM 0 HG21 VAL A 21 17.875 -5.798 -3.799 1.00 31.22 H new ATOM 0 HG22 VAL A 21 17.829 -4.357 -4.842 1.00 31.22 H new ATOM 0 HG23 VAL A 21 16.654 -4.534 -3.518 1.00 31.22 H new ATOM 304 N VAL A 22 13.282 -4.847 -4.627 1.00 24.42 N ATOM 305 CA VAL A 22 12.302 -4.382 -3.653 1.00 41.11 C ATOM 306 C VAL A 22 12.872 -4.416 -2.240 1.00 5.03 C ATOM 307 O VAL A 22 13.794 -5.179 -1.950 1.00 14.24 O ATOM 308 CB VAL A 22 11.019 -5.233 -3.698 1.00 11.32 C ATOM 309 CG1 VAL A 22 10.330 -5.090 -5.046 1.00 51.32 C ATOM 310 CG2 VAL A 22 11.337 -6.691 -3.404 1.00 73.12 C ATOM 0 H VAL A 22 13.035 -5.722 -5.089 1.00 24.42 H new ATOM 0 HA VAL A 22 12.057 -3.353 -3.917 1.00 41.11 H new ATOM 0 HB VAL A 22 10.337 -4.871 -2.929 1.00 11.32 H new ATOM 0 HG11 VAL A 22 9.426 -5.698 -5.059 1.00 51.32 H new ATOM 0 HG12 VAL A 22 10.067 -4.045 -5.211 1.00 51.32 H new ATOM 0 HG13 VAL A 22 11.003 -5.424 -5.836 1.00 51.32 H new ATOM 0 HG21 VAL A 22 10.419 -7.278 -3.440 1.00 73.12 H new ATOM 0 HG22 VAL A 22 12.038 -7.068 -4.149 1.00 73.12 H new ATOM 0 HG23 VAL A 22 11.782 -6.774 -2.412 1.00 73.12 H new ATOM 320 N MET A 23 12.318 -3.584 -1.364 1.00 21.44 N ATOM 321 CA MET A 23 12.771 -3.521 0.021 1.00 11.21 C ATOM 322 C MET A 23 12.747 -4.903 0.665 1.00 21.40 C ATOM 323 O MET A 23 13.620 -5.241 1.465 1.00 62.24 O ATOM 324 CB MET A 23 11.894 -2.557 0.823 1.00 43.20 C ATOM 325 CG MET A 23 12.216 -2.536 2.309 1.00 53.25 C ATOM 326 SD MET A 23 10.794 -2.962 3.333 1.00 41.53 S ATOM 327 CE MET A 23 10.653 -4.717 3.004 1.00 43.41 C ATOM 0 H MET A 23 11.555 -2.945 -1.588 1.00 21.44 H new ATOM 0 HA MET A 23 13.798 -3.156 0.025 1.00 11.21 H new ATOM 0 HB2 MET A 23 12.011 -1.551 0.420 1.00 43.20 H new ATOM 0 HB3 MET A 23 10.848 -2.834 0.690 1.00 43.20 H new ATOM 0 HG2 MET A 23 13.027 -3.236 2.511 1.00 53.25 H new ATOM 0 HG3 MET A 23 12.574 -1.544 2.585 1.00 53.25 H new ATOM 0 HE1 MET A 23 9.991 -5.173 3.740 1.00 43.41 H new ATOM 0 HE2 MET A 23 10.244 -4.868 2.005 1.00 43.41 H new ATOM 0 HE3 MET A 23 11.638 -5.179 3.067 1.00 43.41 H new ATOM 337 N ASP A 24 11.743 -5.698 0.312 1.00 70.21 N ATOM 338 CA ASP A 24 11.606 -7.045 0.855 1.00 42.31 C ATOM 339 C ASP A 24 12.852 -7.876 0.566 1.00 23.24 C ATOM 340 O ASP A 24 13.292 -8.665 1.403 1.00 12.34 O ATOM 341 CB ASP A 24 10.372 -7.732 0.268 1.00 43.43 C ATOM 342 CG ASP A 24 9.966 -8.963 1.054 1.00 52.51 C ATOM 343 OD1 ASP A 24 10.667 -9.302 2.030 1.00 3.00 O ATOM 344 OD2 ASP A 24 8.946 -9.586 0.694 1.00 52.05 O ATOM 0 H ASP A 24 11.012 -5.433 -0.348 1.00 70.21 H new ATOM 0 HA ASP A 24 11.487 -6.964 1.935 1.00 42.31 H new ATOM 0 HB2 ASP A 24 9.541 -7.026 0.249 1.00 43.43 H new ATOM 0 HB3 ASP A 24 10.574 -8.014 -0.765 1.00 43.43 H new ATOM 349 N ARG A 25 13.416 -7.695 -0.624 1.00 12.05 N ATOM 350 CA ARG A 25 14.610 -8.430 -1.023 1.00 73.13 C ATOM 351 C ARG A 25 15.850 -7.546 -0.930 1.00 14.43 C ATOM 352 O ARG A 25 16.978 -8.027 -1.033 1.00 31.33 O ATOM 353 CB ARG A 25 14.455 -8.960 -2.450 1.00 55.41 C ATOM 354 CG ARG A 25 13.381 -10.026 -2.591 1.00 15.05 C ATOM 355 CD ARG A 25 13.566 -10.839 -3.862 1.00 74.02 C ATOM 356 NE ARG A 25 12.613 -11.943 -3.950 1.00 4.14 N ATOM 357 CZ ARG A 25 12.776 -12.992 -4.747 1.00 62.44 C ATOM 358 NH1 ARG A 25 13.849 -13.080 -5.522 1.00 75.42 N ATOM 359 NH2 ARG A 25 11.865 -13.957 -4.771 1.00 23.01 N ATOM 0 H ARG A 25 13.065 -7.046 -1.328 1.00 12.05 H new ATOM 0 HA ARG A 25 14.733 -9.271 -0.341 1.00 73.13 H new ATOM 0 HB2 ARG A 25 14.219 -8.128 -3.114 1.00 55.41 H new ATOM 0 HB3 ARG A 25 15.409 -9.371 -2.781 1.00 55.41 H new ATOM 0 HG2 ARG A 25 13.409 -10.689 -1.726 1.00 15.05 H new ATOM 0 HG3 ARG A 25 12.398 -9.555 -2.599 1.00 15.05 H new ATOM 0 HD2 ARG A 25 13.448 -10.189 -4.729 1.00 74.02 H new ATOM 0 HD3 ARG A 25 14.582 -11.233 -3.895 1.00 74.02 H new ATOM 0 HE ARG A 25 11.777 -11.906 -3.367 1.00 4.14 H new ATOM 0 HH11 ARG A 25 14.551 -12.341 -5.506 1.00 75.42 H new ATOM 0 HH12 ARG A 25 13.972 -13.887 -6.133 1.00 75.42 H new ATOM 0 HH21 ARG A 25 11.039 -13.893 -4.177 1.00 23.01 H new ATOM 0 HH22 ARG A 25 11.991 -14.763 -5.384 1.00 23.01 H new ATOM 373 N PHE A 26 15.632 -6.249 -0.734 1.00 71.32 N ATOM 374 CA PHE A 26 16.731 -5.297 -0.628 1.00 41.12 C ATOM 375 C PHE A 26 17.578 -5.579 0.609 1.00 31.24 C ATOM 376 O PHE A 26 18.808 -5.585 0.546 1.00 70.50 O ATOM 377 CB PHE A 26 16.191 -3.866 -0.575 1.00 61.31 C ATOM 378 CG PHE A 26 17.263 -2.817 -0.662 1.00 72.51 C ATOM 379 CD1 PHE A 26 18.325 -2.964 -1.540 1.00 31.44 C ATOM 380 CD2 PHE A 26 17.208 -1.685 0.134 1.00 3.21 C ATOM 381 CE1 PHE A 26 19.313 -2.001 -1.623 1.00 15.05 C ATOM 382 CE2 PHE A 26 18.193 -0.718 0.055 1.00 13.13 C ATOM 383 CZ PHE A 26 19.247 -0.877 -0.823 1.00 53.31 C ATOM 0 H PHE A 26 14.704 -5.834 -0.645 1.00 71.32 H new ATOM 0 HA PHE A 26 17.361 -5.408 -1.511 1.00 41.12 H new ATOM 0 HB2 PHE A 26 15.486 -3.722 -1.393 1.00 61.31 H new ATOM 0 HB3 PHE A 26 15.635 -3.730 0.353 1.00 61.31 H new ATOM 0 HD1 PHE A 26 18.381 -3.842 -2.167 1.00 31.44 H new ATOM 0 HD2 PHE A 26 16.387 -1.556 0.824 1.00 3.21 H new ATOM 0 HE1 PHE A 26 20.135 -2.127 -2.312 1.00 15.05 H new ATOM 0 HE2 PHE A 26 18.138 0.161 0.680 1.00 13.13 H new ATOM 0 HZ PHE A 26 20.018 -0.124 -0.884 1.00 53.31 H new ATOM 393 N LEU A 27 16.911 -5.812 1.734 1.00 11.14 N ATOM 394 CA LEU A 27 17.601 -6.095 2.988 1.00 12.43 C ATOM 395 C LEU A 27 18.488 -7.328 2.855 1.00 4.15 C ATOM 396 O LEU A 27 19.660 -7.304 3.229 1.00 4.55 O ATOM 397 CB LEU A 27 16.587 -6.300 4.116 1.00 65.54 C ATOM 398 CG LEU A 27 17.039 -7.198 5.269 1.00 42.54 C ATOM 399 CD1 LEU A 27 18.263 -6.610 5.954 1.00 13.24 C ATOM 400 CD2 LEU A 27 15.908 -7.393 6.267 1.00 12.54 C ATOM 0 H LEU A 27 15.893 -5.811 1.804 1.00 11.14 H new ATOM 0 HA LEU A 27 18.233 -5.240 3.228 1.00 12.43 H new ATOM 0 HB2 LEU A 27 16.324 -5.324 4.523 1.00 65.54 H new ATOM 0 HB3 LEU A 27 15.678 -6.722 3.688 1.00 65.54 H new ATOM 0 HG LEU A 27 17.309 -8.173 4.862 1.00 42.54 H new ATOM 0 HD11 LEU A 27 18.571 -7.262 6.772 1.00 13.24 H new ATOM 0 HD12 LEU A 27 19.076 -6.523 5.234 1.00 13.24 H new ATOM 0 HD13 LEU A 27 18.020 -5.623 6.348 1.00 13.24 H new ATOM 0 HD21 LEU A 27 16.247 -8.034 7.080 1.00 12.54 H new ATOM 0 HD22 LEU A 27 15.607 -6.426 6.669 1.00 12.54 H new ATOM 0 HD23 LEU A 27 15.058 -7.859 5.768 1.00 12.54 H new ATOM 412 N GLU A 28 17.921 -8.404 2.318 1.00 4.25 N ATOM 413 CA GLU A 28 18.663 -9.646 2.135 1.00 34.02 C ATOM 414 C GLU A 28 19.731 -9.488 1.057 1.00 72.22 C ATOM 415 O GLU A 28 20.880 -9.890 1.242 1.00 15.34 O ATOM 416 CB GLU A 28 17.710 -10.784 1.762 1.00 21.03 C ATOM 417 CG GLU A 28 18.190 -12.153 2.215 1.00 43.31 C ATOM 418 CD GLU A 28 17.576 -13.282 1.410 1.00 3.24 C ATOM 419 OE1 GLU A 28 16.407 -13.631 1.674 1.00 53.24 O ATOM 420 OE2 GLU A 28 18.266 -13.816 0.517 1.00 63.30 O ATOM 0 H GLU A 28 16.952 -8.441 2.003 1.00 4.25 H new ATOM 0 HA GLU A 28 19.156 -9.888 3.077 1.00 34.02 H new ATOM 0 HB2 GLU A 28 16.732 -10.587 2.202 1.00 21.03 H new ATOM 0 HB3 GLU A 28 17.576 -10.795 0.680 1.00 21.03 H new ATOM 0 HG2 GLU A 28 19.276 -12.200 2.130 1.00 43.31 H new ATOM 0 HG3 GLU A 28 17.947 -12.289 3.269 1.00 43.31 H new ATOM 427 N SER A 29 19.343 -8.901 -0.071 1.00 33.03 N ATOM 428 CA SER A 29 20.265 -8.694 -1.181 1.00 52.42 C ATOM 429 C SER A 29 21.498 -7.919 -0.726 1.00 21.42 C ATOM 430 O SER A 29 22.630 -8.361 -0.923 1.00 23.11 O ATOM 431 CB SER A 29 19.568 -7.942 -2.317 1.00 73.31 C ATOM 432 OG SER A 29 19.248 -6.617 -1.931 1.00 41.21 O ATOM 0 H SER A 29 18.396 -8.561 -0.240 1.00 33.03 H new ATOM 0 HA SER A 29 20.584 -9.671 -1.543 1.00 52.42 H new ATOM 0 HB2 SER A 29 20.214 -7.922 -3.194 1.00 73.31 H new ATOM 0 HB3 SER A 29 18.659 -8.470 -2.603 1.00 73.31 H new ATOM 0 HG SER A 29 19.700 -5.984 -2.527 1.00 41.21 H new ATOM 438 N PHE A 30 21.270 -6.761 -0.116 1.00 31.24 N ATOM 439 CA PHE A 30 22.361 -5.924 0.368 1.00 44.44 C ATOM 440 C PHE A 30 23.245 -6.692 1.345 1.00 22.44 C ATOM 441 O PHE A 30 24.471 -6.675 1.236 1.00 21.23 O ATOM 442 CB PHE A 30 21.808 -4.667 1.043 1.00 52.14 C ATOM 443 CG PHE A 30 22.517 -3.407 0.637 1.00 41.32 C ATOM 444 CD1 PHE A 30 23.873 -3.420 0.351 1.00 73.32 C ATOM 445 CD2 PHE A 30 21.828 -2.208 0.542 1.00 22.20 C ATOM 446 CE1 PHE A 30 24.528 -2.262 -0.023 1.00 64.43 C ATOM 447 CE2 PHE A 30 22.478 -1.047 0.168 1.00 24.31 C ATOM 448 CZ PHE A 30 23.830 -1.074 -0.114 1.00 23.23 C ATOM 0 H PHE A 30 20.339 -6.381 0.055 1.00 31.24 H new ATOM 0 HA PHE A 30 22.967 -5.631 -0.489 1.00 44.44 H new ATOM 0 HB2 PHE A 30 20.749 -4.572 0.803 1.00 52.14 H new ATOM 0 HB3 PHE A 30 21.881 -4.783 2.124 1.00 52.14 H new ATOM 0 HD1 PHE A 30 24.424 -4.346 0.421 1.00 73.32 H new ATOM 0 HD2 PHE A 30 20.771 -2.181 0.763 1.00 22.20 H new ATOM 0 HE1 PHE A 30 25.585 -2.286 -0.244 1.00 64.43 H new ATOM 0 HE2 PHE A 30 21.929 -0.120 0.096 1.00 24.31 H new ATOM 0 HZ PHE A 30 24.340 -0.168 -0.405 1.00 23.23 H new ATOM 458 N SER A 31 22.613 -7.366 2.301 1.00 1.34 N ATOM 459 CA SER A 31 23.341 -8.138 3.302 1.00 51.51 C ATOM 460 C SER A 31 24.292 -9.129 2.637 1.00 15.24 C ATOM 461 O SER A 31 25.444 -9.269 3.046 1.00 14.23 O ATOM 462 CB SER A 31 22.363 -8.883 4.212 1.00 21.02 C ATOM 463 OG SER A 31 23.033 -9.450 5.325 1.00 61.03 O ATOM 0 H SER A 31 21.599 -7.393 2.403 1.00 1.34 H new ATOM 0 HA SER A 31 23.929 -7.445 3.904 1.00 51.51 H new ATOM 0 HB2 SER A 31 21.590 -8.197 4.559 1.00 21.02 H new ATOM 0 HB3 SER A 31 21.861 -9.668 3.647 1.00 21.02 H new ATOM 0 HG SER A 31 22.386 -9.919 5.892 1.00 61.03 H new ATOM 469 N GLU A 32 23.799 -9.814 1.610 1.00 12.03 N ATOM 470 CA GLU A 32 24.604 -10.793 0.889 1.00 31.04 C ATOM 471 C GLU A 32 25.675 -10.104 0.049 1.00 1.21 C ATOM 472 O GLU A 32 26.811 -10.572 -0.035 1.00 62.31 O ATOM 473 CB GLU A 32 23.714 -11.657 -0.007 1.00 45.11 C ATOM 474 CG GLU A 32 24.385 -12.936 -0.479 1.00 4.01 C ATOM 475 CD GLU A 32 24.568 -13.945 0.638 1.00 61.21 C ATOM 476 OE1 GLU A 32 23.632 -14.734 0.885 1.00 41.03 O ATOM 477 OE2 GLU A 32 25.648 -13.946 1.265 1.00 2.01 O ATOM 0 H GLU A 32 22.847 -9.709 1.259 1.00 12.03 H new ATOM 0 HA GLU A 32 25.097 -11.431 1.622 1.00 31.04 H new ATOM 0 HB2 GLU A 32 22.805 -11.913 0.537 1.00 45.11 H new ATOM 0 HB3 GLU A 32 23.412 -11.073 -0.876 1.00 45.11 H new ATOM 0 HG2 GLU A 32 23.788 -13.383 -1.273 1.00 4.01 H new ATOM 0 HG3 GLU A 32 25.357 -12.695 -0.909 1.00 4.01 H new ATOM 484 N LEU A 33 25.305 -8.989 -0.571 1.00 62.05 N ATOM 485 CA LEU A 33 26.233 -8.234 -1.406 1.00 62.13 C ATOM 486 C LEU A 33 27.484 -7.852 -0.622 1.00 23.12 C ATOM 487 O LEU A 33 28.594 -7.870 -1.155 1.00 73.34 O ATOM 488 CB LEU A 33 25.554 -6.976 -1.949 1.00 52.32 C ATOM 489 CG LEU A 33 26.428 -6.055 -2.801 1.00 3.01 C ATOM 490 CD1 LEU A 33 27.240 -5.121 -1.917 1.00 20.35 C ATOM 491 CD2 LEU A 33 27.345 -6.872 -3.700 1.00 51.21 C ATOM 0 H LEU A 33 24.369 -8.588 -0.511 1.00 62.05 H new ATOM 0 HA LEU A 33 26.530 -8.869 -2.241 1.00 62.13 H new ATOM 0 HB2 LEU A 33 24.694 -7.280 -2.545 1.00 52.32 H new ATOM 0 HB3 LEU A 33 25.171 -6.402 -1.106 1.00 52.32 H new ATOM 0 HG LEU A 33 25.777 -5.450 -3.432 1.00 3.01 H new ATOM 0 HD11 LEU A 33 27.856 -4.473 -2.541 1.00 20.35 H new ATOM 0 HD12 LEU A 33 26.566 -4.511 -1.316 1.00 20.35 H new ATOM 0 HD13 LEU A 33 27.881 -5.708 -1.260 1.00 20.35 H new ATOM 0 HD21 LEU A 33 27.960 -6.200 -4.299 1.00 51.21 H new ATOM 0 HD22 LEU A 33 27.988 -7.503 -3.087 1.00 51.21 H new ATOM 0 HD23 LEU A 33 26.744 -7.499 -4.359 1.00 51.21 H new ATOM 503 N TYR A 34 27.298 -7.509 0.648 1.00 40.32 N ATOM 504 CA TYR A 34 28.411 -7.122 1.506 1.00 25.22 C ATOM 505 C TYR A 34 29.347 -8.302 1.749 1.00 23.41 C ATOM 506 O TYR A 34 30.556 -8.129 1.906 1.00 50.32 O ATOM 507 CB TYR A 34 27.891 -6.586 2.841 1.00 24.22 C ATOM 508 CG TYR A 34 28.902 -6.671 3.963 1.00 41.54 C ATOM 509 CD1 TYR A 34 29.790 -5.630 4.204 1.00 42.32 C ATOM 510 CD2 TYR A 34 28.968 -7.791 4.782 1.00 61.03 C ATOM 511 CE1 TYR A 34 30.716 -5.703 5.227 1.00 53.13 C ATOM 512 CE2 TYR A 34 29.889 -7.872 5.808 1.00 64.31 C ATOM 513 CZ TYR A 34 30.761 -6.826 6.026 1.00 22.01 C ATOM 514 OH TYR A 34 31.681 -6.902 7.047 1.00 33.20 O ATOM 0 H TYR A 34 26.387 -7.491 1.106 1.00 40.32 H new ATOM 0 HA TYR A 34 28.971 -6.336 1.000 1.00 25.22 H new ATOM 0 HB2 TYR A 34 27.589 -5.546 2.713 1.00 24.22 H new ATOM 0 HB3 TYR A 34 26.999 -7.144 3.124 1.00 24.22 H new ATOM 0 HD1 TYR A 34 29.756 -4.748 3.581 1.00 42.32 H new ATOM 0 HD2 TYR A 34 28.287 -8.613 4.614 1.00 61.03 H new ATOM 0 HE1 TYR A 34 31.400 -4.886 5.400 1.00 53.13 H new ATOM 0 HE2 TYR A 34 29.926 -8.750 6.436 1.00 64.31 H new ATOM 0 HH TYR A 34 31.580 -7.757 7.515 1.00 33.20 H new ATOM 524 N ASP A 35 28.779 -9.503 1.778 1.00 2.12 N ATOM 525 CA ASP A 35 29.561 -10.714 2.000 1.00 2.40 C ATOM 526 C ASP A 35 30.365 -11.077 0.755 1.00 32.13 C ATOM 527 O ASP A 35 31.462 -11.627 0.852 1.00 44.20 O ATOM 528 CB ASP A 35 28.644 -11.875 2.387 1.00 3.24 C ATOM 529 CG ASP A 35 28.967 -12.434 3.759 1.00 34.31 C ATOM 530 OD1 ASP A 35 29.857 -13.305 3.850 1.00 10.21 O ATOM 531 OD2 ASP A 35 28.328 -12.002 4.742 1.00 73.24 O ATOM 0 H ASP A 35 27.780 -9.664 1.651 1.00 2.12 H new ATOM 0 HA ASP A 35 30.257 -10.523 2.817 1.00 2.40 H new ATOM 0 HB2 ASP A 35 27.608 -11.537 2.370 1.00 3.24 H new ATOM 0 HB3 ASP A 35 28.733 -12.668 1.644 1.00 3.24 H new ATOM 536 N ILE A 36 29.810 -10.768 -0.412 1.00 3.32 N ATOM 537 CA ILE A 36 30.476 -11.062 -1.675 1.00 14.10 C ATOM 538 C ILE A 36 31.317 -9.879 -2.142 1.00 0.03 C ATOM 539 O ILE A 36 32.176 -10.021 -3.013 1.00 12.42 O ATOM 540 CB ILE A 36 29.460 -11.421 -2.776 1.00 21.33 C ATOM 541 CG1 ILE A 36 30.176 -11.630 -4.112 1.00 31.22 C ATOM 542 CG2 ILE A 36 28.405 -10.332 -2.899 1.00 33.44 C ATOM 543 CD1 ILE A 36 30.142 -10.415 -5.012 1.00 74.11 C ATOM 0 H ILE A 36 28.902 -10.314 -0.509 1.00 3.32 H new ATOM 0 HA ILE A 36 31.126 -11.919 -1.497 1.00 14.10 H new ATOM 0 HB ILE A 36 28.963 -12.352 -2.502 1.00 21.33 H new ATOM 0 HG12 ILE A 36 31.214 -11.901 -3.920 1.00 31.22 H new ATOM 0 HG13 ILE A 36 29.718 -12.471 -4.633 1.00 31.22 H new ATOM 0 HG21 ILE A 36 27.695 -10.600 -3.681 1.00 33.44 H new ATOM 0 HG22 ILE A 36 27.878 -10.227 -1.951 1.00 33.44 H new ATOM 0 HG23 ILE A 36 28.885 -9.387 -3.154 1.00 33.44 H new ATOM 0 HD11 ILE A 36 30.668 -10.635 -5.941 1.00 74.11 H new ATOM 0 HD12 ILE A 36 29.107 -10.156 -5.234 1.00 74.11 H new ATOM 0 HD13 ILE A 36 30.626 -9.577 -4.511 1.00 74.11 H new ATOM 555 N ILE A 37 31.066 -8.713 -1.555 1.00 72.44 N ATOM 556 CA ILE A 37 31.802 -7.506 -1.909 1.00 63.42 C ATOM 557 C ILE A 37 33.302 -7.700 -1.714 1.00 21.54 C ATOM 558 O ILE A 37 34.112 -6.963 -2.275 1.00 64.14 O ATOM 559 CB ILE A 37 31.339 -6.299 -1.073 1.00 40.33 C ATOM 560 CG1 ILE A 37 31.753 -4.992 -1.753 1.00 12.34 C ATOM 561 CG2 ILE A 37 31.914 -6.376 0.333 1.00 21.21 C ATOM 562 CD1 ILE A 37 30.727 -4.470 -2.735 1.00 24.32 C ATOM 0 H ILE A 37 30.359 -8.579 -0.832 1.00 72.44 H new ATOM 0 HA ILE A 37 31.597 -7.309 -2.961 1.00 63.42 H new ATOM 0 HB ILE A 37 30.252 -6.321 -1.001 1.00 40.33 H new ATOM 0 HG12 ILE A 37 31.931 -4.235 -0.989 1.00 12.34 H new ATOM 0 HG13 ILE A 37 32.698 -5.147 -2.275 1.00 12.34 H new ATOM 0 HG21 ILE A 37 31.577 -5.516 0.911 1.00 21.21 H new ATOM 0 HG22 ILE A 37 31.575 -7.293 0.815 1.00 21.21 H new ATOM 0 HG23 ILE A 37 33.003 -6.375 0.281 1.00 21.21 H new ATOM 0 HD11 ILE A 37 31.087 -3.542 -3.178 1.00 24.32 H new ATOM 0 HD12 ILE A 37 30.566 -5.209 -3.520 1.00 24.32 H new ATOM 0 HD13 ILE A 37 29.788 -4.283 -2.215 1.00 24.32 H new ATOM 574 N ASP A 38 33.665 -8.698 -0.915 1.00 73.21 N ATOM 575 CA ASP A 38 35.068 -8.992 -0.647 1.00 73.02 C ATOM 576 C ASP A 38 35.703 -9.729 -1.823 1.00 14.35 C ATOM 577 O ASP A 38 36.913 -9.656 -2.031 1.00 40.15 O ATOM 578 CB ASP A 38 35.202 -9.828 0.627 1.00 53.51 C ATOM 579 CG ASP A 38 36.626 -10.286 0.871 1.00 32.42 C ATOM 580 OD1 ASP A 38 37.521 -9.421 0.956 1.00 4.40 O ATOM 581 OD2 ASP A 38 36.845 -11.512 0.977 1.00 50.43 O ATOM 0 H ASP A 38 33.007 -9.317 -0.442 1.00 73.21 H new ATOM 0 HA ASP A 38 35.592 -8.046 -0.508 1.00 73.02 H new ATOM 0 HB2 ASP A 38 34.861 -9.242 1.480 1.00 53.51 H new ATOM 0 HB3 ASP A 38 34.550 -10.699 0.557 1.00 53.51 H new ATOM 586 N GLU A 39 34.877 -10.438 -2.586 1.00 31.25 N ATOM 587 CA GLU A 39 35.359 -11.190 -3.738 1.00 41.44 C ATOM 588 C GLU A 39 36.198 -10.303 -4.654 1.00 3.43 C ATOM 589 O GLU A 39 37.321 -10.652 -5.015 1.00 2.12 O ATOM 590 CB GLU A 39 34.183 -11.779 -4.520 1.00 13.25 C ATOM 591 CG GLU A 39 33.545 -12.982 -3.845 1.00 3.34 C ATOM 592 CD GLU A 39 34.491 -14.163 -3.744 1.00 74.11 C ATOM 593 OE1 GLU A 39 34.855 -14.724 -4.799 1.00 12.42 O ATOM 594 OE2 GLU A 39 34.866 -14.527 -2.610 1.00 3.41 O ATOM 0 H GLU A 39 33.872 -10.507 -2.427 1.00 31.25 H new ATOM 0 HA GLU A 39 35.986 -12.003 -3.372 1.00 41.44 H new ATOM 0 HB2 GLU A 39 33.426 -11.007 -4.658 1.00 13.25 H new ATOM 0 HB3 GLU A 39 34.527 -12.070 -5.513 1.00 13.25 H new ATOM 0 HG2 GLU A 39 33.214 -12.700 -2.846 1.00 3.34 H new ATOM 0 HG3 GLU A 39 32.657 -13.279 -4.403 1.00 3.34 H new ATOM 601 N ASN A 40 35.644 -9.153 -5.025 1.00 73.32 N ATOM 602 CA ASN A 40 36.340 -8.216 -5.899 1.00 72.12 C ATOM 603 C ASN A 40 36.521 -8.806 -7.295 1.00 2.44 C ATOM 604 O ASN A 40 37.290 -8.286 -8.104 1.00 74.11 O ATOM 605 CB ASN A 40 37.702 -7.850 -5.307 1.00 42.20 C ATOM 606 CG ASN A 40 38.213 -6.515 -5.814 1.00 63.35 C ATOM 607 OD1 ASN A 40 39.312 -6.427 -6.362 1.00 42.55 O ATOM 608 ND2 ASN A 40 37.416 -5.469 -5.633 1.00 50.14 N ATOM 0 H ASN A 40 34.715 -8.848 -4.734 1.00 73.32 H new ATOM 0 HA ASN A 40 35.733 -7.314 -5.981 1.00 72.12 H new ATOM 0 HB2 ASN A 40 37.626 -7.818 -4.220 1.00 42.20 H new ATOM 0 HB3 ASN A 40 38.423 -8.629 -5.553 1.00 42.20 H new ATOM 0 HD21 ASN A 40 37.706 -4.545 -5.953 1.00 50.14 H new ATOM 0 HD22 ASN A 40 36.513 -5.589 -5.174 1.00 50.14 H new ATOM 615 N ASP A 41 35.809 -9.893 -7.569 1.00 14.33 N ATOM 616 CA ASP A 41 35.889 -10.553 -8.867 1.00 0.44 C ATOM 617 C ASP A 41 34.734 -10.124 -9.767 1.00 22.04 C ATOM 618 O ASP A 41 33.586 -10.049 -9.329 1.00 13.13 O ATOM 619 CB ASP A 41 35.879 -12.072 -8.692 1.00 11.03 C ATOM 620 CG ASP A 41 36.632 -12.787 -9.796 1.00 4.10 C ATOM 621 OD1 ASP A 41 37.837 -12.506 -9.971 1.00 73.02 O ATOM 622 OD2 ASP A 41 36.018 -13.628 -10.484 1.00 70.15 O ATOM 0 H ASP A 41 35.170 -10.336 -6.909 1.00 14.33 H new ATOM 0 HA ASP A 41 36.825 -10.256 -9.341 1.00 0.44 H new ATOM 0 HB2 ASP A 41 36.323 -12.327 -7.730 1.00 11.03 H new ATOM 0 HB3 ASP A 41 34.848 -12.426 -8.671 1.00 11.03 H new ATOM 627 N THR A 42 35.046 -9.842 -11.028 1.00 25.51 N ATOM 628 CA THR A 42 34.036 -9.419 -11.989 1.00 61.22 C ATOM 629 C THR A 42 33.068 -10.554 -12.305 1.00 43.21 C ATOM 630 O THR A 42 31.859 -10.342 -12.402 1.00 23.32 O ATOM 631 CB THR A 42 34.679 -8.928 -13.300 1.00 13.20 C ATOM 632 OG1 THR A 42 35.387 -10.001 -13.930 1.00 45.54 O ATOM 633 CG2 THR A 42 35.630 -7.771 -13.036 1.00 3.24 C ATOM 0 H THR A 42 35.991 -9.899 -11.407 1.00 25.51 H new ATOM 0 HA THR A 42 33.489 -8.595 -11.530 1.00 61.22 H new ATOM 0 HB THR A 42 33.885 -8.580 -13.961 1.00 13.20 H new ATOM 0 HG1 THR A 42 35.791 -9.681 -14.763 1.00 45.54 H new ATOM 0 HG21 THR A 42 36.072 -7.441 -13.976 1.00 3.24 H new ATOM 0 HG22 THR A 42 35.081 -6.945 -12.584 1.00 3.24 H new ATOM 0 HG23 THR A 42 36.420 -8.096 -12.359 1.00 3.24 H new ATOM 641 N ASP A 43 33.607 -11.758 -12.464 1.00 41.54 N ATOM 642 CA ASP A 43 32.790 -12.927 -12.768 1.00 2.21 C ATOM 643 C ASP A 43 31.842 -13.241 -11.615 1.00 30.20 C ATOM 644 O ASP A 43 30.663 -13.524 -11.827 1.00 14.12 O ATOM 645 CB ASP A 43 33.681 -14.136 -13.057 1.00 34.44 C ATOM 646 CG ASP A 43 34.683 -13.867 -14.162 1.00 75.11 C ATOM 647 OD1 ASP A 43 34.384 -13.035 -15.044 1.00 73.04 O ATOM 648 OD2 ASP A 43 35.766 -14.488 -14.144 1.00 51.44 O ATOM 0 H ASP A 43 34.606 -11.950 -12.387 1.00 41.54 H new ATOM 0 HA ASP A 43 32.195 -12.705 -13.654 1.00 2.21 H new ATOM 0 HB2 ASP A 43 34.214 -14.416 -12.148 1.00 34.44 H new ATOM 0 HB3 ASP A 43 33.057 -14.985 -13.336 1.00 34.44 H new ATOM 653 N VAL A 44 32.366 -13.191 -10.394 1.00 74.02 N ATOM 654 CA VAL A 44 31.566 -13.470 -9.207 1.00 60.44 C ATOM 655 C VAL A 44 30.560 -12.355 -8.947 1.00 42.32 C ATOM 656 O VAL A 44 29.422 -12.610 -8.555 1.00 70.55 O ATOM 657 CB VAL A 44 32.454 -13.647 -7.961 1.00 50.03 C ATOM 658 CG1 VAL A 44 31.599 -13.872 -6.724 1.00 31.24 C ATOM 659 CG2 VAL A 44 33.430 -14.797 -8.162 1.00 11.44 C ATOM 0 H VAL A 44 33.341 -12.960 -10.201 1.00 74.02 H new ATOM 0 HA VAL A 44 31.031 -14.400 -9.398 1.00 60.44 H new ATOM 0 HB VAL A 44 33.030 -12.734 -7.813 1.00 50.03 H new ATOM 0 HG11 VAL A 44 32.244 -13.995 -5.854 1.00 31.24 H new ATOM 0 HG12 VAL A 44 30.945 -13.013 -6.573 1.00 31.24 H new ATOM 0 HG13 VAL A 44 30.995 -14.769 -6.858 1.00 31.24 H new ATOM 0 HG21 VAL A 44 34.050 -14.908 -7.272 1.00 11.44 H new ATOM 0 HG22 VAL A 44 32.875 -15.719 -8.335 1.00 11.44 H new ATOM 0 HG23 VAL A 44 34.065 -14.589 -9.023 1.00 11.44 H new ATOM 669 N MET A 45 30.988 -11.116 -9.168 1.00 63.14 N ATOM 670 CA MET A 45 30.124 -9.960 -8.959 1.00 72.44 C ATOM 671 C MET A 45 29.024 -9.907 -10.014 1.00 55.35 C ATOM 672 O MET A 45 27.859 -9.667 -9.698 1.00 12.11 O ATOM 673 CB MET A 45 30.944 -8.670 -8.995 1.00 44.32 C ATOM 674 CG MET A 45 31.546 -8.295 -7.651 1.00 2.34 C ATOM 675 SD MET A 45 30.394 -7.385 -6.603 1.00 61.53 S ATOM 676 CE MET A 45 30.216 -5.866 -7.535 1.00 62.21 C ATOM 0 H MET A 45 31.928 -10.887 -9.492 1.00 63.14 H new ATOM 0 HA MET A 45 29.659 -10.058 -7.978 1.00 72.44 H new ATOM 0 HB2 MET A 45 31.746 -8.779 -9.725 1.00 44.32 H new ATOM 0 HB3 MET A 45 30.308 -7.854 -9.339 1.00 44.32 H new ATOM 0 HG2 MET A 45 31.864 -9.201 -7.134 1.00 2.34 H new ATOM 0 HG3 MET A 45 32.439 -7.691 -7.813 1.00 2.34 H new ATOM 0 HE1 MET A 45 30.386 -5.014 -6.877 1.00 62.21 H new ATOM 0 HE2 MET A 45 30.944 -5.849 -8.346 1.00 62.21 H new ATOM 0 HE3 MET A 45 29.210 -5.809 -7.950 1.00 62.21 H new ATOM 686 N MET A 46 29.401 -10.131 -11.269 1.00 2.12 N ATOM 687 CA MET A 46 28.445 -10.109 -12.370 1.00 2.41 C ATOM 688 C MET A 46 27.435 -11.244 -12.236 1.00 64.02 C ATOM 689 O MET A 46 26.253 -11.074 -12.535 1.00 63.44 O ATOM 690 CB MET A 46 29.176 -10.215 -13.710 1.00 33.21 C ATOM 691 CG MET A 46 29.701 -11.611 -14.007 1.00 15.44 C ATOM 692 SD MET A 46 30.485 -11.728 -15.626 1.00 12.11 S ATOM 693 CE MET A 46 31.672 -10.390 -15.525 1.00 33.31 C ATOM 0 H MET A 46 30.362 -10.330 -11.549 1.00 2.12 H new ATOM 0 HA MET A 46 27.907 -9.162 -12.332 1.00 2.41 H new ATOM 0 HB2 MET A 46 28.499 -9.913 -14.509 1.00 33.21 H new ATOM 0 HB3 MET A 46 30.010 -9.513 -13.716 1.00 33.21 H new ATOM 0 HG2 MET A 46 30.419 -11.896 -13.238 1.00 15.44 H new ATOM 0 HG3 MET A 46 28.878 -12.323 -13.954 1.00 15.44 H new ATOM 0 HE1 MET A 46 32.200 -10.300 -16.474 1.00 33.31 H new ATOM 0 HE2 MET A 46 31.151 -9.457 -15.309 1.00 33.31 H new ATOM 0 HE3 MET A 46 32.388 -10.598 -14.730 1.00 33.31 H new ATOM 703 N ASP A 47 27.909 -12.401 -11.786 1.00 12.42 N ATOM 704 CA ASP A 47 27.047 -13.564 -11.612 1.00 14.11 C ATOM 705 C ASP A 47 26.098 -13.366 -10.434 1.00 21.14 C ATOM 706 O ASP A 47 24.916 -13.702 -10.511 1.00 42.15 O ATOM 707 CB ASP A 47 27.889 -14.822 -11.399 1.00 22.53 C ATOM 708 CG ASP A 47 28.190 -15.545 -12.697 1.00 42.43 C ATOM 709 OD1 ASP A 47 28.721 -14.900 -13.626 1.00 54.51 O ATOM 710 OD2 ASP A 47 27.896 -16.755 -12.785 1.00 1.14 O ATOM 0 H ASP A 47 28.885 -12.558 -11.535 1.00 12.42 H new ATOM 0 HA ASP A 47 26.452 -13.683 -12.518 1.00 14.11 H new ATOM 0 HB2 ASP A 47 28.826 -14.550 -10.912 1.00 22.53 H new ATOM 0 HB3 ASP A 47 27.363 -15.497 -10.724 1.00 22.53 H new ATOM 715 N PHE A 48 26.624 -12.820 -9.342 1.00 42.14 N ATOM 716 CA PHE A 48 25.825 -12.579 -8.147 1.00 21.24 C ATOM 717 C PHE A 48 24.846 -11.431 -8.369 1.00 55.41 C ATOM 718 O PHE A 48 23.675 -11.519 -7.998 1.00 54.03 O ATOM 719 CB PHE A 48 26.733 -12.267 -6.955 1.00 52.31 C ATOM 720 CG PHE A 48 26.011 -11.626 -5.804 1.00 25.43 C ATOM 721 CD1 PHE A 48 25.434 -12.403 -4.813 1.00 32.44 C ATOM 722 CD2 PHE A 48 25.911 -10.247 -5.713 1.00 34.52 C ATOM 723 CE1 PHE A 48 24.770 -11.817 -3.751 1.00 73.44 C ATOM 724 CE2 PHE A 48 25.248 -9.656 -4.654 1.00 2.11 C ATOM 725 CZ PHE A 48 24.676 -10.442 -3.673 1.00 11.23 C ATOM 0 H PHE A 48 27.600 -12.536 -9.261 1.00 42.14 H new ATOM 0 HA PHE A 48 25.254 -13.483 -7.934 1.00 21.24 H new ATOM 0 HB2 PHE A 48 27.199 -13.191 -6.612 1.00 52.31 H new ATOM 0 HB3 PHE A 48 27.536 -11.607 -7.283 1.00 52.31 H new ATOM 0 HD1 PHE A 48 25.504 -13.479 -4.870 1.00 32.44 H new ATOM 0 HD2 PHE A 48 26.356 -9.627 -6.478 1.00 34.52 H new ATOM 0 HE1 PHE A 48 24.326 -12.434 -2.984 1.00 73.44 H new ATOM 0 HE2 PHE A 48 25.177 -8.580 -4.594 1.00 2.11 H new ATOM 0 HZ PHE A 48 24.156 -9.982 -2.846 1.00 11.23 H new ATOM 735 N ILE A 49 25.334 -10.354 -8.976 1.00 75.11 N ATOM 736 CA ILE A 49 24.502 -9.188 -9.249 1.00 32.54 C ATOM 737 C ILE A 49 23.349 -9.542 -10.182 1.00 14.05 C ATOM 738 O ILE A 49 22.197 -9.196 -9.920 1.00 34.12 O ATOM 739 CB ILE A 49 25.322 -8.046 -9.875 1.00 43.50 C ATOM 740 CG1 ILE A 49 25.758 -7.051 -8.797 1.00 51.11 C ATOM 741 CG2 ILE A 49 24.513 -7.343 -10.955 1.00 64.45 C ATOM 742 CD1 ILE A 49 27.171 -7.274 -8.304 1.00 74.14 C ATOM 0 H ILE A 49 26.301 -10.265 -9.288 1.00 75.11 H new ATOM 0 HA ILE A 49 24.102 -8.854 -8.291 1.00 32.54 H new ATOM 0 HB ILE A 49 26.215 -8.470 -10.335 1.00 43.50 H new ATOM 0 HG12 ILE A 49 25.676 -6.039 -9.194 1.00 51.11 H new ATOM 0 HG13 ILE A 49 25.072 -7.119 -7.952 1.00 51.11 H new ATOM 0 HG21 ILE A 49 25.107 -6.538 -11.388 1.00 64.45 H new ATOM 0 HG22 ILE A 49 24.248 -8.058 -11.734 1.00 64.45 H new ATOM 0 HG23 ILE A 49 23.604 -6.929 -10.518 1.00 64.45 H new ATOM 0 HD11 ILE A 49 27.412 -6.533 -7.542 1.00 74.14 H new ATOM 0 HD12 ILE A 49 27.254 -8.273 -7.877 1.00 74.14 H new ATOM 0 HD13 ILE A 49 27.867 -7.177 -9.137 1.00 74.14 H new ATOM 754 N SER A 50 23.667 -10.235 -11.270 1.00 55.24 N ATOM 755 CA SER A 50 22.657 -10.634 -12.244 1.00 62.21 C ATOM 756 C SER A 50 21.646 -11.590 -11.618 1.00 24.02 C ATOM 757 O SER A 50 20.455 -11.538 -11.922 1.00 53.45 O ATOM 758 CB SER A 50 23.319 -11.295 -13.455 1.00 23.45 C ATOM 759 OG SER A 50 22.504 -11.181 -14.608 1.00 12.22 O ATOM 0 H SER A 50 24.615 -10.532 -11.500 1.00 55.24 H new ATOM 0 HA SER A 50 22.129 -9.738 -12.571 1.00 62.21 H new ATOM 0 HB2 SER A 50 24.287 -10.830 -13.643 1.00 23.45 H new ATOM 0 HB3 SER A 50 23.507 -12.347 -13.241 1.00 23.45 H new ATOM 0 HG SER A 50 22.950 -11.610 -15.368 1.00 12.22 H new ATOM 765 N ARG A 51 22.132 -12.463 -10.741 1.00 15.11 N ATOM 766 CA ARG A 51 21.272 -13.432 -10.072 1.00 11.11 C ATOM 767 C ARG A 51 20.444 -12.761 -8.980 1.00 34.21 C ATOM 768 O ARG A 51 19.334 -13.197 -8.671 1.00 63.33 O ATOM 769 CB ARG A 51 22.111 -14.560 -9.470 1.00 24.12 C ATOM 770 CG ARG A 51 21.281 -15.679 -8.863 1.00 24.44 C ATOM 771 CD ARG A 51 22.155 -16.841 -8.414 1.00 41.44 C ATOM 772 NE ARG A 51 22.520 -17.712 -9.528 1.00 25.22 N ATOM 773 CZ ARG A 51 21.671 -18.546 -10.118 1.00 41.30 C ATOM 774 NH1 ARG A 51 20.414 -18.620 -9.704 1.00 11.24 N ATOM 775 NH2 ARG A 51 22.079 -19.307 -11.126 1.00 12.15 N ATOM 0 H ARG A 51 23.116 -12.519 -10.478 1.00 15.11 H new ATOM 0 HA ARG A 51 20.592 -13.850 -10.814 1.00 11.11 H new ATOM 0 HB2 ARG A 51 22.755 -14.976 -10.245 1.00 24.12 H new ATOM 0 HB3 ARG A 51 22.764 -14.146 -8.702 1.00 24.12 H new ATOM 0 HG2 ARG A 51 20.718 -15.295 -8.012 1.00 24.44 H new ATOM 0 HG3 ARG A 51 20.553 -16.031 -9.594 1.00 24.44 H new ATOM 0 HD2 ARG A 51 23.059 -16.454 -7.944 1.00 41.44 H new ATOM 0 HD3 ARG A 51 21.626 -17.421 -7.658 1.00 41.44 H new ATOM 0 HE ARG A 51 23.480 -17.678 -9.872 1.00 25.22 H new ATOM 0 HH11 ARG A 51 20.097 -18.036 -8.931 1.00 11.24 H new ATOM 0 HH12 ARG A 51 19.764 -19.261 -10.159 1.00 11.24 H new ATOM 0 HH21 ARG A 51 23.045 -19.252 -11.448 1.00 12.15 H new ATOM 0 HH22 ARG A 51 21.426 -19.947 -11.578 1.00 12.15 H new ATOM 789 N PHE A 52 20.990 -11.699 -8.398 1.00 43.21 N ATOM 790 CA PHE A 52 20.303 -10.969 -7.339 1.00 40.44 C ATOM 791 C PHE A 52 19.522 -9.789 -7.911 1.00 31.01 C ATOM 792 O PHE A 52 18.766 -9.128 -7.199 1.00 44.12 O ATOM 793 CB PHE A 52 21.308 -10.473 -6.298 1.00 10.44 C ATOM 794 CG PHE A 52 21.500 -11.422 -5.150 1.00 34.32 C ATOM 795 CD1 PHE A 52 21.676 -12.778 -5.377 1.00 41.31 C ATOM 796 CD2 PHE A 52 21.504 -10.960 -3.844 1.00 12.41 C ATOM 797 CE1 PHE A 52 21.852 -13.654 -4.323 1.00 12.34 C ATOM 798 CE2 PHE A 52 21.680 -11.831 -2.785 1.00 55.13 C ATOM 799 CZ PHE A 52 21.855 -13.180 -3.025 1.00 52.43 C ATOM 0 H PHE A 52 21.907 -11.324 -8.642 1.00 43.21 H new ATOM 0 HA PHE A 52 19.600 -11.650 -6.859 1.00 40.44 H new ATOM 0 HB2 PHE A 52 22.269 -10.304 -6.784 1.00 10.44 H new ATOM 0 HB3 PHE A 52 20.973 -9.511 -5.911 1.00 10.44 H new ATOM 0 HD1 PHE A 52 21.676 -13.154 -6.389 1.00 41.31 H new ATOM 0 HD2 PHE A 52 21.368 -9.906 -3.651 1.00 12.41 H new ATOM 0 HE1 PHE A 52 21.987 -14.708 -4.514 1.00 12.34 H new ATOM 0 HE2 PHE A 52 21.681 -11.457 -1.772 1.00 55.13 H new ATOM 0 HZ PHE A 52 21.994 -13.863 -2.200 1.00 52.43 H new ATOM 809 N ALA A 53 19.711 -9.531 -9.201 1.00 34.40 N ATOM 810 CA ALA A 53 19.023 -8.433 -9.869 1.00 64.32 C ATOM 811 C ALA A 53 17.705 -8.900 -10.478 1.00 2.35 C ATOM 812 O ALA A 53 17.535 -10.080 -10.785 1.00 5.25 O ATOM 813 CB ALA A 53 19.916 -7.827 -10.941 1.00 43.54 C ATOM 0 H ALA A 53 20.335 -10.067 -9.804 1.00 34.40 H new ATOM 0 HA ALA A 53 18.798 -7.670 -9.124 1.00 64.32 H new ATOM 0 HB1 ALA A 53 19.390 -7.008 -11.432 1.00 43.54 H new ATOM 0 HB2 ALA A 53 20.829 -7.448 -10.482 1.00 43.54 H new ATOM 0 HB3 ALA A 53 20.169 -8.590 -11.678 1.00 43.54 H new ATOM 819 N ARG A 54 16.775 -7.966 -10.648 1.00 74.42 N ATOM 820 CA ARG A 54 15.471 -8.283 -11.218 1.00 55.11 C ATOM 821 C ARG A 54 15.027 -7.199 -12.196 1.00 40.02 C ATOM 822 O ARG A 54 14.966 -6.019 -11.848 1.00 31.44 O ATOM 823 CB ARG A 54 14.430 -8.440 -10.108 1.00 73.01 C ATOM 824 CG ARG A 54 13.059 -8.858 -10.613 1.00 73.55 C ATOM 825 CD ARG A 54 13.093 -10.247 -11.232 1.00 30.31 C ATOM 826 NE ARG A 54 11.755 -10.813 -11.382 1.00 12.13 N ATOM 827 CZ ARG A 54 11.520 -12.108 -11.561 1.00 22.13 C ATOM 828 NH1 ARG A 54 12.529 -12.967 -11.611 1.00 71.14 N ATOM 829 NH2 ARG A 54 10.274 -12.546 -11.689 1.00 24.41 N ATOM 0 H ARG A 54 16.900 -6.985 -10.399 1.00 74.42 H new ATOM 0 HA ARG A 54 15.559 -9.224 -11.761 1.00 55.11 H new ATOM 0 HB2 ARG A 54 14.785 -9.180 -9.391 1.00 73.01 H new ATOM 0 HB3 ARG A 54 14.338 -7.495 -9.572 1.00 73.01 H new ATOM 0 HG2 ARG A 54 12.346 -8.843 -9.788 1.00 73.55 H new ATOM 0 HG3 ARG A 54 12.707 -8.138 -11.352 1.00 73.55 H new ATOM 0 HD2 ARG A 54 13.577 -10.197 -12.207 1.00 30.31 H new ATOM 0 HD3 ARG A 54 13.698 -10.906 -10.609 1.00 30.31 H new ATOM 0 HE ARG A 54 10.957 -10.179 -11.347 1.00 12.13 H new ATOM 0 HH11 ARG A 54 13.488 -12.634 -11.512 1.00 71.14 H new ATOM 0 HH12 ARG A 54 12.346 -13.961 -11.749 1.00 71.14 H new ATOM 0 HH21 ARG A 54 9.496 -11.888 -11.650 1.00 24.41 H new ATOM 0 HH22 ARG A 54 10.095 -13.541 -11.826 1.00 24.41 H new ATOM 843 N THR A 55 14.719 -7.607 -13.424 1.00 14.45 N ATOM 844 CA THR A 55 14.283 -6.671 -14.453 1.00 34.24 C ATOM 845 C THR A 55 12.837 -6.243 -14.229 1.00 52.32 C ATOM 846 O THR A 55 11.955 -6.559 -15.028 1.00 43.55 O ATOM 847 CB THR A 55 14.413 -7.283 -15.860 1.00 21.40 C ATOM 848 OG1 THR A 55 13.517 -8.392 -15.997 1.00 40.10 O ATOM 849 CG2 THR A 55 15.840 -7.743 -16.120 1.00 53.11 C ATOM 0 H THR A 55 14.764 -8.579 -13.730 1.00 14.45 H new ATOM 0 HA THR A 55 14.933 -5.799 -14.383 1.00 34.24 H new ATOM 0 HB THR A 55 14.156 -6.516 -16.591 1.00 21.40 H new ATOM 0 HG1 THR A 55 12.599 -8.093 -15.831 1.00 40.10 H new ATOM 0 HG21 THR A 55 15.908 -8.172 -17.120 1.00 53.11 H new ATOM 0 HG22 THR A 55 16.516 -6.892 -16.044 1.00 53.11 H new ATOM 0 HG23 THR A 55 16.120 -8.496 -15.383 1.00 53.11 H new ATOM 857 N ASP A 56 12.600 -5.522 -13.139 1.00 2.31 N ATOM 858 CA ASP A 56 11.260 -5.048 -12.811 1.00 44.14 C ATOM 859 C ASP A 56 11.272 -3.553 -12.508 1.00 53.00 C ATOM 860 O ASP A 56 12.311 -2.987 -12.169 1.00 75.14 O ATOM 861 CB ASP A 56 10.702 -5.820 -11.615 1.00 12.42 C ATOM 862 CG ASP A 56 9.366 -6.470 -11.918 1.00 1.35 C ATOM 863 OD1 ASP A 56 9.341 -7.433 -12.712 1.00 42.13 O ATOM 864 OD2 ASP A 56 8.346 -6.016 -11.359 1.00 53.21 O ATOM 0 H ASP A 56 13.319 -5.253 -12.467 1.00 2.31 H new ATOM 0 HA ASP A 56 10.618 -5.220 -13.675 1.00 44.14 H new ATOM 0 HB2 ASP A 56 11.416 -6.587 -11.316 1.00 12.42 H new ATOM 0 HB3 ASP A 56 10.589 -5.142 -10.769 1.00 12.42 H new ATOM 869 N GLU A 57 10.109 -2.920 -12.633 1.00 44.02 N ATOM 870 CA GLU A 57 9.987 -1.490 -12.374 1.00 62.21 C ATOM 871 C GLU A 57 8.960 -1.222 -11.278 1.00 51.21 C ATOM 872 O GLU A 57 8.510 -2.143 -10.595 1.00 43.33 O ATOM 873 CB GLU A 57 9.590 -0.750 -13.653 1.00 2.32 C ATOM 874 CG GLU A 57 10.435 -1.123 -14.859 1.00 51.25 C ATOM 875 CD GLU A 57 9.903 -0.530 -16.150 1.00 0.12 C ATOM 876 OE1 GLU A 57 10.137 0.672 -16.392 1.00 2.53 O ATOM 877 OE2 GLU A 57 9.253 -1.269 -16.918 1.00 34.41 O ATOM 0 H GLU A 57 9.239 -3.374 -12.912 1.00 44.02 H new ATOM 0 HA GLU A 57 10.956 -1.123 -12.037 1.00 62.21 H new ATOM 0 HB2 GLU A 57 8.544 -0.960 -13.874 1.00 2.32 H new ATOM 0 HB3 GLU A 57 9.670 0.323 -13.482 1.00 2.32 H new ATOM 0 HG2 GLU A 57 11.458 -0.781 -14.701 1.00 51.25 H new ATOM 0 HG3 GLU A 57 10.472 -2.209 -14.950 1.00 51.25 H new ATOM 884 N ILE A 58 8.594 0.045 -11.116 1.00 10.21 N ATOM 885 CA ILE A 58 7.620 0.435 -10.104 1.00 20.01 C ATOM 886 C ILE A 58 6.298 0.847 -10.743 1.00 21.20 C ATOM 887 O ILE A 58 6.270 1.666 -11.661 1.00 74.53 O ATOM 888 CB ILE A 58 8.142 1.596 -9.238 1.00 3.43 C ATOM 889 CG1 ILE A 58 8.928 2.589 -10.097 1.00 24.21 C ATOM 890 CG2 ILE A 58 9.009 1.065 -8.106 1.00 30.21 C ATOM 891 CD1 ILE A 58 10.398 2.252 -10.217 1.00 41.13 C ATOM 0 H ILE A 58 8.957 0.819 -11.672 1.00 10.21 H new ATOM 0 HA ILE A 58 7.458 -0.437 -9.470 1.00 20.01 H new ATOM 0 HB ILE A 58 7.289 2.116 -8.803 1.00 3.43 H new ATOM 0 HG12 ILE A 58 8.488 2.622 -11.094 1.00 24.21 H new ATOM 0 HG13 ILE A 58 8.826 3.587 -9.670 1.00 24.21 H new ATOM 0 HG21 ILE A 58 9.370 1.898 -7.503 1.00 30.21 H new ATOM 0 HG22 ILE A 58 8.420 0.393 -7.481 1.00 30.21 H new ATOM 0 HG23 ILE A 58 9.858 0.523 -8.522 1.00 30.21 H new ATOM 0 HD11 ILE A 58 10.893 2.998 -10.839 1.00 41.13 H new ATOM 0 HD12 ILE A 58 10.852 2.247 -9.226 1.00 41.13 H new ATOM 0 HD13 ILE A 58 10.510 1.268 -10.672 1.00 41.13 H new ATOM 903 N MET A 59 5.205 0.275 -10.249 1.00 71.54 N ATOM 904 CA MET A 59 3.879 0.585 -10.770 1.00 73.35 C ATOM 905 C MET A 59 3.413 1.956 -10.291 1.00 44.14 C ATOM 906 O MET A 59 3.955 2.526 -9.344 1.00 44.12 O ATOM 907 CB MET A 59 2.875 -0.486 -10.340 1.00 32.51 C ATOM 908 CG MET A 59 2.932 -1.748 -11.186 1.00 52.11 C ATOM 909 SD MET A 59 2.408 -1.467 -12.888 1.00 43.45 S ATOM 910 CE MET A 59 3.137 -2.884 -13.705 1.00 62.15 C ATOM 0 H MET A 59 5.211 -0.405 -9.489 1.00 71.54 H new ATOM 0 HA MET A 59 3.939 0.601 -11.858 1.00 73.35 H new ATOM 0 HB2 MET A 59 3.060 -0.748 -9.298 1.00 32.51 H new ATOM 0 HB3 MET A 59 1.869 -0.070 -10.390 1.00 32.51 H new ATOM 0 HG2 MET A 59 3.950 -2.137 -11.183 1.00 52.11 H new ATOM 0 HG3 MET A 59 2.298 -2.512 -10.736 1.00 52.11 H new ATOM 0 HE1 MET A 59 2.900 -2.852 -14.769 1.00 62.15 H new ATOM 0 HE2 MET A 59 4.219 -2.863 -13.573 1.00 62.15 H new ATOM 0 HE3 MET A 59 2.736 -3.800 -13.271 1.00 62.15 H new ATOM 920 N PRO A 60 2.386 2.500 -10.960 1.00 13.22 N ATOM 921 CA PRO A 60 1.825 3.811 -10.619 1.00 42.33 C ATOM 922 C PRO A 60 1.079 3.795 -9.289 1.00 42.15 C ATOM 923 O PRO A 60 0.836 4.843 -8.692 1.00 21.23 O ATOM 924 CB PRO A 60 0.858 4.094 -11.772 1.00 20.34 C ATOM 925 CG PRO A 60 0.480 2.748 -12.287 1.00 50.13 C ATOM 926 CD PRO A 60 1.691 1.877 -12.099 1.00 43.21 C ATOM 0 HA PRO A 60 2.601 4.567 -10.500 1.00 42.33 H new ATOM 0 HB2 PRO A 60 -0.017 4.647 -11.429 1.00 20.34 H new ATOM 0 HB3 PRO A 60 1.332 4.696 -12.547 1.00 20.34 H new ATOM 0 HG2 PRO A 60 -0.376 2.349 -11.743 1.00 50.13 H new ATOM 0 HG3 PRO A 60 0.195 2.798 -13.338 1.00 50.13 H new ATOM 0 HD2 PRO A 60 1.414 0.845 -11.885 1.00 43.21 H new ATOM 0 HD3 PRO A 60 2.317 1.861 -12.991 1.00 43.21 H new ATOM 934 N GLU A 61 0.719 2.600 -8.832 1.00 62.25 N ATOM 935 CA GLU A 61 0.000 2.449 -7.573 1.00 4.12 C ATOM 936 C GLU A 61 0.972 2.343 -6.401 1.00 42.40 C ATOM 937 O GLU A 61 0.591 2.532 -5.246 1.00 30.44 O ATOM 938 CB GLU A 61 -0.898 1.211 -7.618 1.00 11.44 C ATOM 939 CG GLU A 61 -0.155 -0.090 -7.367 1.00 3.21 C ATOM 940 CD GLU A 61 -0.788 -1.270 -8.078 1.00 33.05 C ATOM 941 OE1 GLU A 61 -1.914 -1.655 -7.698 1.00 73.23 O ATOM 942 OE2 GLU A 61 -0.159 -1.808 -9.012 1.00 21.41 O ATOM 0 H GLU A 61 0.913 1.723 -9.315 1.00 62.25 H new ATOM 0 HA GLU A 61 -0.620 3.334 -7.430 1.00 4.12 H new ATOM 0 HB2 GLU A 61 -1.687 1.318 -6.874 1.00 11.44 H new ATOM 0 HB3 GLU A 61 -1.383 1.160 -8.593 1.00 11.44 H new ATOM 0 HG2 GLU A 61 0.878 0.017 -7.697 1.00 3.21 H new ATOM 0 HG3 GLU A 61 -0.128 -0.288 -6.295 1.00 3.21 H new ATOM 949 N ASP A 62 2.229 2.041 -6.708 1.00 33.41 N ATOM 950 CA ASP A 62 3.256 1.910 -5.681 1.00 43.04 C ATOM 951 C ASP A 62 4.293 3.022 -5.806 1.00 64.32 C ATOM 952 O ASP A 62 4.035 4.062 -6.411 1.00 54.33 O ATOM 953 CB ASP A 62 3.939 0.545 -5.783 1.00 53.14 C ATOM 954 CG ASP A 62 2.967 -0.563 -6.139 1.00 11.11 C ATOM 955 OD1 ASP A 62 1.934 -0.689 -5.449 1.00 54.05 O ATOM 956 OD2 ASP A 62 3.240 -1.305 -7.106 1.00 41.41 O ATOM 0 H ASP A 62 2.561 1.882 -7.659 1.00 33.41 H new ATOM 0 HA ASP A 62 2.774 1.994 -4.707 1.00 43.04 H new ATOM 0 HB2 ASP A 62 4.725 0.591 -6.536 1.00 53.14 H new ATOM 0 HB3 ASP A 62 4.421 0.311 -4.834 1.00 53.14 H new ATOM 961 N LYS A 63 5.469 2.795 -5.229 1.00 15.11 N ATOM 962 CA LYS A 63 6.546 3.776 -5.275 1.00 0.32 C ATOM 963 C LYS A 63 7.904 3.102 -5.105 1.00 14.04 C ATOM 964 O LYS A 63 7.990 1.881 -4.972 1.00 21.31 O ATOM 965 CB LYS A 63 6.349 4.832 -4.185 1.00 11.14 C ATOM 966 CG LYS A 63 5.390 4.402 -3.088 1.00 2.23 C ATOM 967 CD LYS A 63 5.543 5.263 -1.845 1.00 32.22 C ATOM 968 CE LYS A 63 4.658 6.498 -1.910 1.00 53.12 C ATOM 969 NZ LYS A 63 3.261 6.202 -1.487 1.00 53.44 N ATOM 0 H LYS A 63 5.700 1.939 -4.724 1.00 15.11 H new ATOM 0 HA LYS A 63 6.520 4.261 -6.251 1.00 0.32 H new ATOM 0 HB2 LYS A 63 7.316 5.067 -3.739 1.00 11.14 H new ATOM 0 HB3 LYS A 63 5.977 5.749 -4.642 1.00 11.14 H new ATOM 0 HG2 LYS A 63 4.365 4.467 -3.453 1.00 2.23 H new ATOM 0 HG3 LYS A 63 5.572 3.358 -2.833 1.00 2.23 H new ATOM 0 HD2 LYS A 63 5.288 4.677 -0.962 1.00 32.22 H new ATOM 0 HD3 LYS A 63 6.585 5.566 -1.737 1.00 32.22 H new ATOM 0 HE2 LYS A 63 5.074 7.277 -1.271 1.00 53.12 H new ATOM 0 HE3 LYS A 63 4.654 6.889 -2.927 1.00 53.12 H new ATOM 0 HZ1 LYS A 63 2.690 7.069 -1.545 1.00 53.44 H new ATOM 0 HZ2 LYS A 63 2.855 5.477 -2.113 1.00 53.44 H new ATOM 0 HZ3 LYS A 63 3.261 5.853 -0.507 1.00 53.44 H new ATOM 983 N THR A 64 8.963 3.905 -5.108 1.00 0.32 N ATOM 984 CA THR A 64 10.316 3.386 -4.953 1.00 41.35 C ATOM 985 C THR A 64 10.982 3.950 -3.703 1.00 40.15 C ATOM 986 O THR A 64 10.979 5.161 -3.479 1.00 24.53 O ATOM 987 CB THR A 64 11.188 3.717 -6.179 1.00 51.25 C ATOM 988 OG1 THR A 64 11.456 2.525 -6.926 1.00 41.11 O ATOM 989 CG2 THR A 64 12.499 4.361 -5.753 1.00 70.54 C ATOM 0 H THR A 64 8.910 4.918 -5.216 1.00 0.32 H new ATOM 0 HA THR A 64 10.230 2.304 -4.858 1.00 41.35 H new ATOM 0 HB THR A 64 10.642 4.422 -6.806 1.00 51.25 H new ATOM 0 HG1 THR A 64 12.031 1.931 -6.399 1.00 41.11 H new ATOM 0 HG21 THR A 64 13.098 4.586 -6.636 1.00 70.54 H new ATOM 0 HG22 THR A 64 12.292 5.284 -5.211 1.00 70.54 H new ATOM 0 HG23 THR A 64 13.048 3.676 -5.107 1.00 70.54 H new ATOM 997 N VAL A 65 11.553 3.065 -2.892 1.00 51.23 N ATOM 998 CA VAL A 65 12.225 3.475 -1.665 1.00 51.31 C ATOM 999 C VAL A 65 13.267 4.553 -1.943 1.00 20.22 C ATOM 1000 O VAL A 65 13.325 5.568 -1.251 1.00 10.32 O ATOM 1001 CB VAL A 65 12.909 2.281 -0.974 1.00 31.13 C ATOM 1002 CG1 VAL A 65 13.061 2.542 0.517 1.00 44.30 C ATOM 1003 CG2 VAL A 65 12.124 1.002 -1.222 1.00 22.55 C ATOM 0 H VAL A 65 11.564 2.059 -3.063 1.00 51.23 H new ATOM 0 HA VAL A 65 11.458 3.877 -1.003 1.00 51.31 H new ATOM 0 HB VAL A 65 13.905 2.158 -1.400 1.00 31.13 H new ATOM 0 HG11 VAL A 65 13.546 1.687 0.988 1.00 44.30 H new ATOM 0 HG12 VAL A 65 13.668 3.434 0.670 1.00 44.30 H new ATOM 0 HG13 VAL A 65 12.077 2.692 0.962 1.00 44.30 H new ATOM 0 HG21 VAL A 65 12.621 0.168 -0.727 1.00 22.55 H new ATOM 0 HG22 VAL A 65 11.115 1.111 -0.824 1.00 22.55 H new ATOM 0 HG23 VAL A 65 12.072 0.809 -2.294 1.00 22.55 H new ATOM 1013 N GLY A 66 14.090 4.324 -2.962 1.00 11.00 N ATOM 1014 CA GLY A 66 15.119 5.284 -3.314 1.00 44.31 C ATOM 1015 C GLY A 66 16.300 4.639 -4.012 1.00 70.22 C ATOM 1016 O GLY A 66 16.213 3.498 -4.468 1.00 5.33 O ATOM 0 H GLY A 66 14.062 3.491 -3.550 1.00 11.00 H new ATOM 0 HA2 GLY A 66 14.691 6.049 -3.962 1.00 44.31 H new ATOM 0 HA3 GLY A 66 15.465 5.788 -2.412 1.00 44.31 H new ATOM 1020 N PHE A 67 17.406 5.370 -4.098 1.00 64.23 N ATOM 1021 CA PHE A 67 18.609 4.863 -4.749 1.00 21.33 C ATOM 1022 C PHE A 67 19.816 4.973 -3.822 1.00 3.30 C ATOM 1023 O PHE A 67 19.991 5.975 -3.128 1.00 51.22 O ATOM 1024 CB PHE A 67 18.875 5.630 -6.045 1.00 64.15 C ATOM 1025 CG PHE A 67 19.360 7.034 -5.823 1.00 22.14 C ATOM 1026 CD1 PHE A 67 18.460 8.074 -5.657 1.00 35.34 C ATOM 1027 CD2 PHE A 67 20.716 7.314 -5.779 1.00 24.25 C ATOM 1028 CE1 PHE A 67 18.903 9.367 -5.452 1.00 61.42 C ATOM 1029 CE2 PHE A 67 21.166 8.605 -5.574 1.00 30.20 C ATOM 1030 CZ PHE A 67 20.258 9.632 -5.410 1.00 11.34 C ATOM 0 H PHE A 67 17.495 6.315 -3.725 1.00 64.23 H new ATOM 0 HA PHE A 67 18.449 3.811 -4.985 1.00 21.33 H new ATOM 0 HB2 PHE A 67 19.615 5.087 -6.633 1.00 64.15 H new ATOM 0 HB3 PHE A 67 17.959 5.660 -6.635 1.00 64.15 H new ATOM 0 HD1 PHE A 67 17.400 7.872 -5.688 1.00 35.34 H new ATOM 0 HD2 PHE A 67 21.430 6.514 -5.906 1.00 24.25 H new ATOM 0 HE1 PHE A 67 18.191 10.169 -5.325 1.00 61.42 H new ATOM 0 HE2 PHE A 67 22.226 8.810 -5.542 1.00 30.20 H new ATOM 0 HZ PHE A 67 20.607 10.641 -5.249 1.00 11.34 H new ATOM 1040 N VAL A 68 20.647 3.936 -3.816 1.00 21.32 N ATOM 1041 CA VAL A 68 21.838 3.915 -2.975 1.00 45.25 C ATOM 1042 C VAL A 68 23.106 3.853 -3.820 1.00 71.24 C ATOM 1043 O VAL A 68 23.222 3.025 -4.725 1.00 2.34 O ATOM 1044 CB VAL A 68 21.821 2.718 -2.006 1.00 42.23 C ATOM 1045 CG1 VAL A 68 22.955 2.831 -0.998 1.00 74.11 C ATOM 1046 CG2 VAL A 68 20.477 2.624 -1.301 1.00 73.31 C ATOM 0 H VAL A 68 20.517 3.099 -4.384 1.00 21.32 H new ATOM 0 HA VAL A 68 21.834 4.840 -2.398 1.00 45.25 H new ATOM 0 HB VAL A 68 21.969 1.804 -2.581 1.00 42.23 H new ATOM 0 HG11 VAL A 68 22.927 1.977 -0.322 1.00 74.11 H new ATOM 0 HG12 VAL A 68 23.909 2.846 -1.524 1.00 74.11 H new ATOM 0 HG13 VAL A 68 22.842 3.751 -0.425 1.00 74.11 H new ATOM 0 HG21 VAL A 68 20.482 1.773 -0.620 1.00 73.31 H new ATOM 0 HG22 VAL A 68 20.297 3.539 -0.737 1.00 73.31 H new ATOM 0 HG23 VAL A 68 19.687 2.493 -2.040 1.00 73.31 H new ATOM 1056 N VAL A 69 24.055 4.733 -3.520 1.00 2.35 N ATOM 1057 CA VAL A 69 25.316 4.778 -4.250 1.00 61.22 C ATOM 1058 C VAL A 69 26.474 4.310 -3.376 1.00 63.44 C ATOM 1059 O VAL A 69 26.736 4.878 -2.316 1.00 51.34 O ATOM 1060 CB VAL A 69 25.617 6.198 -4.765 1.00 11.03 C ATOM 1061 CG1 VAL A 69 26.864 6.198 -5.635 1.00 63.21 C ATOM 1062 CG2 VAL A 69 24.424 6.751 -5.529 1.00 14.31 C ATOM 0 H VAL A 69 23.974 5.425 -2.775 1.00 2.35 H new ATOM 0 HA VAL A 69 25.212 4.106 -5.102 1.00 61.22 H new ATOM 0 HB VAL A 69 25.802 6.845 -3.907 1.00 11.03 H new ATOM 0 HG11 VAL A 69 27.060 7.210 -5.989 1.00 63.21 H new ATOM 0 HG12 VAL A 69 27.715 5.846 -5.051 1.00 63.21 H new ATOM 0 HG13 VAL A 69 26.712 5.538 -6.489 1.00 63.21 H new ATOM 0 HG21 VAL A 69 24.654 7.755 -5.886 1.00 14.31 H new ATOM 0 HG22 VAL A 69 24.205 6.105 -6.379 1.00 14.31 H new ATOM 0 HG23 VAL A 69 23.556 6.790 -4.870 1.00 14.31 H new ATOM 1072 N VAL A 70 27.167 3.269 -3.829 1.00 34.23 N ATOM 1073 CA VAL A 70 28.299 2.724 -3.089 1.00 50.21 C ATOM 1074 C VAL A 70 29.558 2.703 -3.949 1.00 11.22 C ATOM 1075 O VAL A 70 29.614 2.016 -4.968 1.00 4.42 O ATOM 1076 CB VAL A 70 28.008 1.297 -2.589 1.00 24.22 C ATOM 1077 CG1 VAL A 70 29.267 0.667 -2.011 1.00 74.33 C ATOM 1078 CG2 VAL A 70 26.889 1.311 -1.559 1.00 54.22 C ATOM 0 H VAL A 70 26.964 2.787 -4.705 1.00 34.23 H new ATOM 0 HA VAL A 70 28.460 3.376 -2.230 1.00 50.21 H new ATOM 0 HB VAL A 70 27.683 0.693 -3.436 1.00 24.22 H new ATOM 0 HG11 VAL A 70 29.042 -0.341 -1.663 1.00 74.33 H new ATOM 0 HG12 VAL A 70 30.038 0.622 -2.781 1.00 74.33 H new ATOM 0 HG13 VAL A 70 29.624 1.269 -1.175 1.00 74.33 H new ATOM 0 HG21 VAL A 70 26.697 0.294 -1.217 1.00 54.22 H new ATOM 0 HG22 VAL A 70 27.183 1.930 -0.711 1.00 54.22 H new ATOM 0 HG23 VAL A 70 25.984 1.719 -2.010 1.00 54.22 H new ATOM 1088 N ASN A 71 30.566 3.461 -3.530 1.00 25.41 N ATOM 1089 CA ASN A 71 31.826 3.529 -4.262 1.00 1.32 C ATOM 1090 C ASN A 71 32.989 3.067 -3.389 1.00 35.43 C ATOM 1091 O ASN A 71 33.391 3.759 -2.454 1.00 55.45 O ATOM 1092 CB ASN A 71 32.078 4.957 -4.752 1.00 22.34 C ATOM 1093 CG ASN A 71 30.856 5.566 -5.412 1.00 63.52 C ATOM 1094 OD1 ASN A 71 30.067 6.298 -4.635 1.00 74.21 O flip ATOM 1095 ND2 ASN A 71 30.626 5.380 -6.607 1.00 32.41 N flip ATOM 0 H ASN A 71 30.535 4.036 -2.688 1.00 25.41 H new ATOM 0 HA ASN A 71 31.754 2.863 -5.122 1.00 1.32 H new ATOM 0 HB2 ASN A 71 32.381 5.579 -3.910 1.00 22.34 H new ATOM 0 HB3 ASN A 71 32.907 4.954 -5.460 1.00 22.34 H new ATOM 0 HD21 ASN A 71 31.261 4.810 -7.166 1.00 32.41 H new ATOM 0 HD22 ASN A 71 29.801 5.796 -7.038 1.00 32.41 H new ATOM 1102 N ALA A 72 33.524 1.891 -3.701 1.00 3.15 N ATOM 1103 CA ALA A 72 34.642 1.337 -2.947 1.00 31.23 C ATOM 1104 C ALA A 72 35.931 2.097 -3.238 1.00 64.23 C ATOM 1105 O ALA A 72 36.807 2.205 -2.380 1.00 23.41 O ATOM 1106 CB ALA A 72 34.814 -0.141 -3.267 1.00 53.41 C ATOM 0 H ALA A 72 33.201 1.304 -4.470 1.00 3.15 H new ATOM 0 HA ALA A 72 34.420 1.444 -1.885 1.00 31.23 H new ATOM 0 HB1 ALA A 72 35.652 -0.542 -2.697 1.00 53.41 H new ATOM 0 HB2 ALA A 72 33.904 -0.679 -3.001 1.00 53.41 H new ATOM 0 HB3 ALA A 72 35.009 -0.262 -4.333 1.00 53.41 H new ATOM 1112 N ASP A 73 36.042 2.621 -4.454 1.00 15.01 N ATOM 1113 CA ASP A 73 37.225 3.372 -4.859 1.00 34.44 C ATOM 1114 C ASP A 73 37.450 4.568 -3.939 1.00 71.13 C ATOM 1115 O ASP A 73 38.586 4.897 -3.597 1.00 60.32 O ATOM 1116 CB ASP A 73 37.084 3.844 -6.306 1.00 42.44 C ATOM 1117 CG ASP A 73 38.298 4.617 -6.783 1.00 42.23 C ATOM 1118 OD1 ASP A 73 39.301 3.974 -7.158 1.00 12.14 O ATOM 1119 OD2 ASP A 73 38.246 5.865 -6.782 1.00 11.15 O ATOM 0 H ASP A 73 35.327 2.539 -5.177 1.00 15.01 H new ATOM 0 HA ASP A 73 38.089 2.712 -4.784 1.00 34.44 H new ATOM 0 HB2 ASP A 73 36.929 2.981 -6.953 1.00 42.44 H new ATOM 0 HB3 ASP A 73 36.198 4.473 -6.395 1.00 42.44 H new ATOM 1124 N LYS A 74 36.360 5.217 -3.543 1.00 61.41 N ATOM 1125 CA LYS A 74 36.437 6.377 -2.663 1.00 62.23 C ATOM 1126 C LYS A 74 36.240 5.969 -1.207 1.00 12.22 C ATOM 1127 O LYS A 74 36.566 6.724 -0.290 1.00 74.02 O ATOM 1128 CB LYS A 74 35.385 7.415 -3.061 1.00 30.34 C ATOM 1129 CG LYS A 74 35.632 8.790 -2.465 1.00 31.11 C ATOM 1130 CD LYS A 74 36.978 9.350 -2.894 1.00 33.13 C ATOM 1131 CE LYS A 74 36.872 10.815 -3.287 1.00 51.31 C ATOM 1132 NZ LYS A 74 36.730 11.700 -2.098 1.00 11.04 N ATOM 0 H LYS A 74 35.412 4.959 -3.818 1.00 61.41 H new ATOM 0 HA LYS A 74 37.429 6.816 -2.767 1.00 62.23 H new ATOM 0 HB2 LYS A 74 35.361 7.498 -4.148 1.00 30.34 H new ATOM 0 HB3 LYS A 74 34.402 7.063 -2.747 1.00 30.34 H new ATOM 0 HG2 LYS A 74 34.838 9.470 -2.775 1.00 31.11 H new ATOM 0 HG3 LYS A 74 35.592 8.729 -1.377 1.00 31.11 H new ATOM 0 HD2 LYS A 74 37.695 9.241 -2.080 1.00 33.13 H new ATOM 0 HD3 LYS A 74 37.362 8.773 -3.736 1.00 33.13 H new ATOM 0 HE2 LYS A 74 37.759 11.105 -3.851 1.00 51.31 H new ATOM 0 HE3 LYS A 74 36.015 10.953 -3.947 1.00 51.31 H new ATOM 0 HZ1 LYS A 74 36.661 12.690 -2.409 1.00 11.04 H new ATOM 0 HZ2 LYS A 74 35.870 11.441 -1.573 1.00 11.04 H new ATOM 0 HZ3 LYS A 74 37.560 11.588 -1.481 1.00 11.04 H new ATOM 1146 N LYS A 75 35.706 4.770 -1.000 1.00 13.31 N ATOM 1147 CA LYS A 75 35.467 4.260 0.345 1.00 3.11 C ATOM 1148 C LYS A 75 34.320 5.009 1.016 1.00 40.04 C ATOM 1149 O LYS A 75 34.391 5.342 2.199 1.00 15.34 O ATOM 1150 CB LYS A 75 36.736 4.384 1.192 1.00 13.42 C ATOM 1151 CG LYS A 75 38.006 4.022 0.442 1.00 32.34 C ATOM 1152 CD LYS A 75 39.114 3.601 1.393 1.00 32.23 C ATOM 1153 CE LYS A 75 39.774 4.805 2.048 1.00 72.32 C ATOM 1154 NZ LYS A 75 40.816 5.410 1.173 1.00 60.30 N ATOM 0 H LYS A 75 35.430 4.133 -1.747 1.00 13.31 H new ATOM 0 HA LYS A 75 35.192 3.208 0.264 1.00 3.11 H new ATOM 0 HB2 LYS A 75 36.820 5.407 1.558 1.00 13.42 H new ATOM 0 HB3 LYS A 75 36.644 3.739 2.066 1.00 13.42 H new ATOM 0 HG2 LYS A 75 37.798 3.212 -0.257 1.00 32.34 H new ATOM 0 HG3 LYS A 75 38.337 4.876 -0.149 1.00 32.34 H new ATOM 0 HD2 LYS A 75 38.705 2.946 2.162 1.00 32.23 H new ATOM 0 HD3 LYS A 75 39.863 3.026 0.849 1.00 32.23 H new ATOM 0 HE2 LYS A 75 39.016 5.553 2.281 1.00 72.32 H new ATOM 0 HE3 LYS A 75 40.224 4.503 2.994 1.00 72.32 H new ATOM 0 HZ1 LYS A 75 41.242 6.227 1.655 1.00 60.30 H new ATOM 0 HZ2 LYS A 75 41.553 4.704 0.971 1.00 60.30 H new ATOM 0 HZ3 LYS A 75 40.382 5.722 0.281 1.00 60.30 H new ATOM 1168 N LEU A 76 33.264 5.270 0.253 1.00 30.51 N ATOM 1169 CA LEU A 76 32.100 5.978 0.774 1.00 20.02 C ATOM 1170 C LEU A 76 30.810 5.403 0.198 1.00 11.23 C ATOM 1171 O LEU A 76 30.802 4.847 -0.899 1.00 65.14 O ATOM 1172 CB LEU A 76 32.198 7.469 0.448 1.00 53.22 C ATOM 1173 CG LEU A 76 32.834 7.822 -0.897 1.00 73.44 C ATOM 1174 CD1 LEU A 76 32.041 7.206 -2.040 1.00 64.21 C ATOM 1175 CD2 LEU A 76 32.928 9.331 -1.064 1.00 15.32 C ATOM 0 H LEU A 76 33.190 5.002 -0.728 1.00 30.51 H new ATOM 0 HA LEU A 76 32.081 5.850 1.856 1.00 20.02 H new ATOM 0 HB2 LEU A 76 31.194 7.893 0.475 1.00 53.22 H new ATOM 0 HB3 LEU A 76 32.771 7.956 1.237 1.00 53.22 H new ATOM 0 HG LEU A 76 33.843 7.411 -0.918 1.00 73.44 H new ATOM 0 HD11 LEU A 76 32.508 7.468 -2.989 1.00 64.21 H new ATOM 0 HD12 LEU A 76 32.026 6.122 -1.930 1.00 64.21 H new ATOM 0 HD13 LEU A 76 31.020 7.587 -2.021 1.00 64.21 H new ATOM 0 HD21 LEU A 76 33.383 9.563 -2.027 1.00 15.32 H new ATOM 0 HD22 LEU A 76 31.929 9.765 -1.021 1.00 15.32 H new ATOM 0 HD23 LEU A 76 33.539 9.748 -0.264 1.00 15.32 H new ATOM 1187 N MET A 77 29.720 5.544 0.946 1.00 61.41 N ATOM 1188 CA MET A 77 28.423 5.041 0.508 1.00 42.14 C ATOM 1189 C MET A 77 27.301 5.977 0.946 1.00 21.21 C ATOM 1190 O MET A 77 27.193 6.323 2.122 1.00 3.44 O ATOM 1191 CB MET A 77 28.181 3.638 1.067 1.00 75.24 C ATOM 1192 CG MET A 77 29.104 2.582 0.480 1.00 11.24 C ATOM 1193 SD MET A 77 30.578 2.314 1.484 1.00 34.20 S ATOM 1194 CE MET A 77 30.911 0.588 1.141 1.00 63.23 C ATOM 0 H MET A 77 29.709 6.002 1.857 1.00 61.41 H new ATOM 0 HA MET A 77 28.428 4.994 -0.581 1.00 42.14 H new ATOM 0 HB2 MET A 77 28.309 3.660 2.149 1.00 75.24 H new ATOM 0 HB3 MET A 77 27.147 3.352 0.874 1.00 75.24 H new ATOM 0 HG2 MET A 77 28.560 1.643 0.382 1.00 11.24 H new ATOM 0 HG3 MET A 77 29.403 2.883 -0.524 1.00 11.24 H new ATOM 0 HE1 MET A 77 31.392 0.131 2.006 1.00 63.23 H new ATOM 0 HE2 MET A 77 29.974 0.071 0.932 1.00 63.23 H new ATOM 0 HE3 MET A 77 31.570 0.509 0.276 1.00 63.23 H new ATOM 1204 N SER A 78 26.468 6.382 -0.007 1.00 42.41 N ATOM 1205 CA SER A 78 25.357 7.281 0.281 1.00 52.53 C ATOM 1206 C SER A 78 24.025 6.631 -0.079 1.00 74.14 C ATOM 1207 O SER A 78 23.882 6.029 -1.144 1.00 0.11 O ATOM 1208 CB SER A 78 25.522 8.593 -0.489 1.00 54.05 C ATOM 1209 OG SER A 78 26.777 9.191 -0.216 1.00 32.03 O ATOM 0 H SER A 78 26.541 6.102 -0.985 1.00 42.41 H new ATOM 0 HA SER A 78 25.361 7.493 1.350 1.00 52.53 H new ATOM 0 HB2 SER A 78 25.431 8.404 -1.559 1.00 54.05 H new ATOM 0 HB3 SER A 78 24.721 9.281 -0.217 1.00 54.05 H new ATOM 0 HG SER A 78 26.858 10.027 -0.721 1.00 32.03 H new ATOM 1215 N VAL A 79 23.051 6.757 0.816 1.00 34.54 N ATOM 1216 CA VAL A 79 21.729 6.182 0.594 1.00 11.52 C ATOM 1217 C VAL A 79 20.655 7.265 0.577 1.00 64.11 C ATOM 1218 O VAL A 79 20.472 7.988 1.556 1.00 23.44 O ATOM 1219 CB VAL A 79 21.378 5.145 1.677 1.00 65.40 C ATOM 1220 CG1 VAL A 79 20.097 4.409 1.317 1.00 60.44 C ATOM 1221 CG2 VAL A 79 22.528 4.167 1.870 1.00 42.34 C ATOM 0 H VAL A 79 23.152 7.252 1.702 1.00 34.54 H new ATOM 0 HA VAL A 79 21.759 5.687 -0.377 1.00 11.52 H new ATOM 0 HB VAL A 79 21.215 5.670 2.618 1.00 65.40 H new ATOM 0 HG11 VAL A 79 19.865 3.681 2.094 1.00 60.44 H new ATOM 0 HG12 VAL A 79 19.278 5.123 1.234 1.00 60.44 H new ATOM 0 HG13 VAL A 79 20.228 3.895 0.365 1.00 60.44 H new ATOM 0 HG21 VAL A 79 22.263 3.441 2.639 1.00 42.34 H new ATOM 0 HG22 VAL A 79 22.725 3.647 0.932 1.00 42.34 H new ATOM 0 HG23 VAL A 79 23.421 4.711 2.177 1.00 42.34 H new ATOM 1231 N SER A 80 19.947 7.371 -0.543 1.00 65.31 N ATOM 1232 CA SER A 80 18.893 8.368 -0.690 1.00 24.42 C ATOM 1233 C SER A 80 17.533 7.699 -0.862 1.00 21.54 C ATOM 1234 O SER A 80 17.313 6.948 -1.812 1.00 62.24 O ATOM 1235 CB SER A 80 19.183 9.275 -1.887 1.00 61.32 C ATOM 1236 OG SER A 80 20.491 9.816 -1.812 1.00 54.13 O ATOM 0 H SER A 80 20.084 6.779 -1.362 1.00 65.31 H new ATOM 0 HA SER A 80 18.869 8.972 0.217 1.00 24.42 H new ATOM 0 HB2 SER A 80 19.073 8.708 -2.812 1.00 61.32 H new ATOM 0 HB3 SER A 80 18.453 10.084 -1.920 1.00 61.32 H new ATOM 0 HG SER A 80 20.652 10.391 -2.589 1.00 54.13 H new ATOM 1242 N PHE A 81 16.623 7.976 0.066 1.00 52.31 N ATOM 1243 CA PHE A 81 15.283 7.401 0.019 1.00 5.31 C ATOM 1244 C PHE A 81 14.226 8.463 0.307 1.00 34.41 C ATOM 1245 O PHE A 81 14.459 9.394 1.078 1.00 72.25 O ATOM 1246 CB PHE A 81 15.161 6.257 1.027 1.00 24.40 C ATOM 1247 CG PHE A 81 15.900 6.507 2.310 1.00 25.44 C ATOM 1248 CD1 PHE A 81 15.490 7.505 3.178 1.00 1.55 C ATOM 1249 CD2 PHE A 81 17.006 5.743 2.649 1.00 61.15 C ATOM 1250 CE1 PHE A 81 16.168 7.738 4.361 1.00 72.15 C ATOM 1251 CE2 PHE A 81 17.687 5.970 3.829 1.00 4.43 C ATOM 1252 CZ PHE A 81 17.269 6.970 4.686 1.00 74.13 C ATOM 0 H PHE A 81 16.789 8.595 0.860 1.00 52.31 H new ATOM 0 HA PHE A 81 15.116 7.011 -0.985 1.00 5.31 H new ATOM 0 HB2 PHE A 81 14.107 6.091 1.251 1.00 24.40 H new ATOM 0 HB3 PHE A 81 15.538 5.341 0.572 1.00 24.40 H new ATOM 0 HD1 PHE A 81 14.630 8.109 2.928 1.00 1.55 H new ATOM 0 HD2 PHE A 81 17.339 4.961 1.983 1.00 61.15 H new ATOM 0 HE1 PHE A 81 15.837 8.519 5.029 1.00 72.15 H new ATOM 0 HE2 PHE A 81 18.546 5.366 4.082 1.00 4.43 H new ATOM 0 HZ PHE A 81 17.802 7.151 5.608 1.00 74.13 H new ATOM 1262 N SER A 82 13.062 8.315 -0.318 1.00 61.33 N ATOM 1263 CA SER A 82 11.969 9.262 -0.133 1.00 41.14 C ATOM 1264 C SER A 82 10.767 8.584 0.517 1.00 52.33 C ATOM 1265 O SER A 82 10.559 7.381 0.360 1.00 31.03 O ATOM 1266 CB SER A 82 11.561 9.871 -1.476 1.00 61.14 C ATOM 1267 OG SER A 82 12.693 10.101 -2.297 1.00 3.11 O ATOM 0 H SER A 82 12.852 7.548 -0.957 1.00 61.33 H new ATOM 0 HA SER A 82 12.317 10.056 0.527 1.00 41.14 H new ATOM 0 HB2 SER A 82 10.868 9.202 -1.986 1.00 61.14 H new ATOM 0 HB3 SER A 82 11.033 10.810 -1.308 1.00 61.14 H new ATOM 0 HG SER A 82 12.405 10.489 -3.150 1.00 3.11 H new ATOM 1273 N ASP A 83 9.978 9.366 1.247 1.00 64.34 N ATOM 1274 CA ASP A 83 8.796 8.843 1.921 1.00 73.35 C ATOM 1275 C ASP A 83 8.966 7.362 2.246 1.00 11.24 C ATOM 1276 O ASP A 83 8.452 6.497 1.536 1.00 11.44 O ATOM 1277 CB ASP A 83 7.555 9.047 1.050 1.00 34.32 C ATOM 1278 CG ASP A 83 7.237 10.513 0.829 1.00 62.51 C ATOM 1279 OD1 ASP A 83 7.881 11.134 -0.042 1.00 24.32 O ATOM 1280 OD2 ASP A 83 6.345 11.039 1.527 1.00 22.21 O ATOM 0 H ASP A 83 10.136 10.364 1.387 1.00 64.34 H new ATOM 0 HA ASP A 83 8.669 9.389 2.856 1.00 73.35 H new ATOM 0 HB2 ASP A 83 7.708 8.562 0.086 1.00 34.32 H new ATOM 0 HB3 ASP A 83 6.701 8.560 1.520 1.00 34.32 H new ATOM 1285 N ILE A 84 9.691 7.078 3.323 1.00 11.21 N ATOM 1286 CA ILE A 84 9.929 5.703 3.742 1.00 35.44 C ATOM 1287 C ILE A 84 9.581 5.509 5.214 1.00 22.25 C ATOM 1288 O ILE A 84 9.678 6.440 6.014 1.00 50.34 O ATOM 1289 CB ILE A 84 11.395 5.290 3.514 1.00 74.33 C ATOM 1290 CG1 ILE A 84 12.325 6.122 4.398 1.00 24.00 C ATOM 1291 CG2 ILE A 84 11.767 5.448 2.047 1.00 32.11 C ATOM 1292 CD1 ILE A 84 13.274 5.288 5.231 1.00 74.34 C ATOM 0 H ILE A 84 10.124 7.782 3.921 1.00 11.21 H new ATOM 0 HA ILE A 84 9.283 5.071 3.132 1.00 35.44 H new ATOM 0 HB ILE A 84 11.509 4.241 3.787 1.00 74.33 H new ATOM 0 HG12 ILE A 84 12.905 6.797 3.768 1.00 24.00 H new ATOM 0 HG13 ILE A 84 11.723 6.744 5.061 1.00 24.00 H new ATOM 0 HG21 ILE A 84 12.806 5.152 1.901 1.00 32.11 H new ATOM 0 HG22 ILE A 84 11.121 4.816 1.438 1.00 32.11 H new ATOM 0 HG23 ILE A 84 11.641 6.489 1.750 1.00 32.11 H new ATOM 0 HD11 ILE A 84 13.903 5.944 5.833 1.00 74.34 H new ATOM 0 HD12 ILE A 84 12.702 4.632 5.887 1.00 74.34 H new ATOM 0 HD13 ILE A 84 13.902 4.686 4.574 1.00 74.34 H new ATOM 1304 N ASP A 85 9.178 4.293 5.566 1.00 22.13 N ATOM 1305 CA ASP A 85 8.819 3.975 6.943 1.00 0.05 C ATOM 1306 C ASP A 85 10.062 3.665 7.771 1.00 22.15 C ATOM 1307 O ASP A 85 11.116 3.337 7.227 1.00 52.42 O ATOM 1308 CB ASP A 85 7.857 2.787 6.981 1.00 73.22 C ATOM 1309 CG ASP A 85 6.973 2.796 8.213 1.00 62.12 C ATOM 1310 OD1 ASP A 85 6.803 3.878 8.813 1.00 30.24 O ATOM 1311 OD2 ASP A 85 6.451 1.721 8.576 1.00 43.31 O ATOM 0 H ASP A 85 9.092 3.511 4.917 1.00 22.13 H new ATOM 0 HA ASP A 85 8.325 4.846 7.374 1.00 0.05 H new ATOM 0 HB2 ASP A 85 7.231 2.801 6.089 1.00 73.22 H new ATOM 0 HB3 ASP A 85 8.429 1.859 6.955 1.00 73.22 H new ATOM 1316 N GLU A 86 9.931 3.772 9.090 1.00 33.20 N ATOM 1317 CA GLU A 86 11.045 3.504 9.992 1.00 13.52 C ATOM 1318 C GLU A 86 11.413 2.024 9.978 1.00 64.24 C ATOM 1319 O GLU A 86 12.551 1.654 10.265 1.00 31.20 O ATOM 1320 CB GLU A 86 10.692 3.939 11.416 1.00 3.52 C ATOM 1321 CG GLU A 86 9.494 3.208 11.997 1.00 30.12 C ATOM 1322 CD GLU A 86 9.894 2.027 12.861 1.00 12.40 C ATOM 1323 OE1 GLU A 86 10.657 2.232 13.828 1.00 42.40 O ATOM 1324 OE2 GLU A 86 9.444 0.900 12.570 1.00 31.54 O ATOM 0 H GLU A 86 9.065 4.042 9.557 1.00 33.20 H new ATOM 0 HA GLU A 86 11.905 4.078 9.646 1.00 13.52 H new ATOM 0 HB2 GLU A 86 11.555 3.775 12.061 1.00 3.52 H new ATOM 0 HB3 GLU A 86 10.490 5.010 11.420 1.00 3.52 H new ATOM 0 HG2 GLU A 86 8.902 3.904 12.591 1.00 30.12 H new ATOM 0 HG3 GLU A 86 8.857 2.860 11.184 1.00 30.12 H new ATOM 1331 N ASN A 87 10.442 1.181 9.641 1.00 50.41 N ATOM 1332 CA ASN A 87 10.663 -0.259 9.590 1.00 62.23 C ATOM 1333 C ASN A 87 11.769 -0.605 8.597 1.00 2.22 C ATOM 1334 O ASN A 87 12.693 -1.352 8.917 1.00 33.53 O ATOM 1335 CB ASN A 87 9.371 -0.981 9.202 1.00 20.13 C ATOM 1336 CG ASN A 87 8.388 -1.064 10.354 1.00 74.33 C ATOM 1337 OD1 ASN A 87 8.702 -1.604 11.415 1.00 55.41 O ATOM 1338 ND2 ASN A 87 7.190 -0.529 10.148 1.00 32.13 N ATOM 0 H ASN A 87 9.494 1.471 9.399 1.00 50.41 H new ATOM 0 HA ASN A 87 10.972 -0.589 10.582 1.00 62.23 H new ATOM 0 HB2 ASN A 87 8.904 -0.461 8.366 1.00 20.13 H new ATOM 0 HB3 ASN A 87 9.609 -1.987 8.858 1.00 20.13 H new ATOM 0 HD21 ASN A 87 6.486 -0.555 10.886 1.00 32.13 H new ATOM 0 HD22 ASN A 87 6.974 -0.092 9.252 1.00 32.13 H new ATOM 1345 N MET A 88 11.668 -0.054 7.392 1.00 61.42 N ATOM 1346 CA MET A 88 12.661 -0.303 6.353 1.00 70.00 C ATOM 1347 C MET A 88 13.925 0.513 6.603 1.00 43.01 C ATOM 1348 O MET A 88 15.034 0.063 6.315 1.00 64.23 O ATOM 1349 CB MET A 88 12.086 0.035 4.976 1.00 14.03 C ATOM 1350 CG MET A 88 11.600 1.470 4.856 1.00 2.53 C ATOM 1351 SD MET A 88 10.426 1.696 3.507 1.00 53.01 S ATOM 1352 CE MET A 88 11.152 0.650 2.248 1.00 73.54 C ATOM 0 H MET A 88 10.909 0.567 7.111 1.00 61.42 H new ATOM 0 HA MET A 88 12.921 -1.361 6.380 1.00 70.00 H new ATOM 0 HB2 MET A 88 12.849 -0.146 4.218 1.00 14.03 H new ATOM 0 HB3 MET A 88 11.257 -0.640 4.762 1.00 14.03 H new ATOM 0 HG2 MET A 88 11.132 1.770 5.794 1.00 2.53 H new ATOM 0 HG3 MET A 88 12.456 2.127 4.702 1.00 2.53 H new ATOM 0 HE1 MET A 88 10.915 1.049 1.262 1.00 73.54 H new ATOM 0 HE2 MET A 88 12.234 0.622 2.378 1.00 73.54 H new ATOM 0 HE3 MET A 88 10.750 -0.359 2.337 1.00 73.54 H new ATOM 1362 N LYS A 89 13.751 1.716 7.140 1.00 23.43 N ATOM 1363 CA LYS A 89 14.878 2.595 7.430 1.00 33.12 C ATOM 1364 C LYS A 89 15.915 1.884 8.294 1.00 15.01 C ATOM 1365 O LYS A 89 17.119 2.046 8.097 1.00 50.31 O ATOM 1366 CB LYS A 89 14.393 3.863 8.137 1.00 72.05 C ATOM 1367 CG LYS A 89 15.437 4.965 8.193 1.00 33.20 C ATOM 1368 CD LYS A 89 14.850 6.262 8.723 1.00 0.23 C ATOM 1369 CE LYS A 89 15.118 6.428 10.211 1.00 5.22 C ATOM 1370 NZ LYS A 89 14.034 5.833 11.040 1.00 12.53 N ATOM 0 H LYS A 89 12.840 2.105 7.383 1.00 23.43 H new ATOM 0 HA LYS A 89 15.345 2.869 6.484 1.00 33.12 H new ATOM 0 HB2 LYS A 89 13.507 4.239 7.624 1.00 72.05 H new ATOM 0 HB3 LYS A 89 14.090 3.609 9.153 1.00 72.05 H new ATOM 0 HG2 LYS A 89 16.264 4.652 8.830 1.00 33.20 H new ATOM 0 HG3 LYS A 89 15.847 5.130 7.197 1.00 33.20 H new ATOM 0 HD2 LYS A 89 15.277 7.105 8.179 1.00 0.23 H new ATOM 0 HD3 LYS A 89 13.775 6.277 8.542 1.00 0.23 H new ATOM 0 HE2 LYS A 89 16.068 5.957 10.463 1.00 5.22 H new ATOM 0 HE3 LYS A 89 15.215 7.488 10.446 1.00 5.22 H new ATOM 0 HZ1 LYS A 89 14.164 6.112 12.034 1.00 12.53 H new ATOM 0 HZ2 LYS A 89 13.112 6.175 10.703 1.00 12.53 H new ATOM 0 HZ3 LYS A 89 14.068 4.796 10.964 1.00 12.53 H new ATOM 1384 N LYS A 90 15.439 1.094 9.251 1.00 3.53 N ATOM 1385 CA LYS A 90 16.324 0.356 10.144 1.00 24.12 C ATOM 1386 C LYS A 90 17.253 -0.561 9.354 1.00 13.10 C ATOM 1387 O LYS A 90 18.421 -0.728 9.703 1.00 23.35 O ATOM 1388 CB LYS A 90 15.506 -0.467 11.142 1.00 54.24 C ATOM 1389 CG LYS A 90 14.994 -1.779 10.573 1.00 52.24 C ATOM 1390 CD LYS A 90 15.980 -2.911 10.808 1.00 54.12 C ATOM 1391 CE LYS A 90 15.645 -3.688 12.072 1.00 41.31 C ATOM 1392 NZ LYS A 90 14.516 -4.635 11.858 1.00 10.25 N ATOM 0 H LYS A 90 14.445 0.949 9.428 1.00 3.53 H new ATOM 0 HA LYS A 90 16.932 1.078 10.690 1.00 24.12 H new ATOM 0 HB2 LYS A 90 16.120 -0.676 12.018 1.00 54.24 H new ATOM 0 HB3 LYS A 90 14.658 0.128 11.482 1.00 54.24 H new ATOM 0 HG2 LYS A 90 14.037 -2.027 11.033 1.00 52.24 H new ATOM 0 HG3 LYS A 90 14.815 -1.668 9.504 1.00 52.24 H new ATOM 0 HD2 LYS A 90 15.972 -3.586 9.952 1.00 54.12 H new ATOM 0 HD3 LYS A 90 16.989 -2.506 10.885 1.00 54.12 H new ATOM 0 HE2 LYS A 90 16.525 -4.240 12.403 1.00 41.31 H new ATOM 0 HE3 LYS A 90 15.388 -2.991 12.870 1.00 41.31 H new ATOM 0 HZ1 LYS A 90 14.318 -5.145 12.742 1.00 10.25 H new ATOM 0 HZ2 LYS A 90 13.669 -4.106 11.567 1.00 10.25 H new ATOM 0 HZ3 LYS A 90 14.771 -5.316 11.115 1.00 10.25 H new ATOM 1406 N VAL A 91 16.726 -1.152 8.286 1.00 14.33 N ATOM 1407 CA VAL A 91 17.508 -2.049 7.445 1.00 71.40 C ATOM 1408 C VAL A 91 18.524 -1.276 6.612 1.00 54.12 C ATOM 1409 O VAL A 91 19.639 -1.744 6.383 1.00 23.22 O ATOM 1410 CB VAL A 91 16.604 -2.867 6.503 1.00 14.43 C ATOM 1411 CG1 VAL A 91 15.206 -3.001 7.088 1.00 21.15 C ATOM 1412 CG2 VAL A 91 16.554 -2.226 5.124 1.00 12.05 C ATOM 0 H VAL A 91 15.760 -1.025 7.983 1.00 14.33 H new ATOM 0 HA VAL A 91 18.034 -2.730 8.114 1.00 71.40 H new ATOM 0 HB VAL A 91 17.026 -3.867 6.399 1.00 14.43 H new ATOM 0 HG11 VAL A 91 14.582 -3.582 6.409 1.00 21.15 H new ATOM 0 HG12 VAL A 91 15.262 -3.507 8.052 1.00 21.15 H new ATOM 0 HG13 VAL A 91 14.772 -2.010 7.223 1.00 21.15 H new ATOM 0 HG21 VAL A 91 15.911 -2.817 4.471 1.00 12.05 H new ATOM 0 HG22 VAL A 91 16.156 -1.215 5.207 1.00 12.05 H new ATOM 0 HG23 VAL A 91 17.559 -2.187 4.704 1.00 12.05 H new ATOM 1422 N ILE A 92 18.130 -0.090 6.161 1.00 41.41 N ATOM 1423 CA ILE A 92 19.007 0.750 5.354 1.00 21.22 C ATOM 1424 C ILE A 92 20.182 1.267 6.177 1.00 65.23 C ATOM 1425 O ILE A 92 21.332 1.215 5.739 1.00 70.03 O ATOM 1426 CB ILE A 92 18.246 1.948 4.757 1.00 3.30 C ATOM 1427 CG1 ILE A 92 16.858 1.514 4.283 1.00 51.00 C ATOM 1428 CG2 ILE A 92 19.037 2.559 3.609 1.00 32.15 C ATOM 1429 CD1 ILE A 92 16.213 2.492 3.326 1.00 60.33 C ATOM 0 H ILE A 92 17.209 0.311 6.341 1.00 41.41 H new ATOM 0 HA ILE A 92 19.381 0.127 4.542 1.00 21.22 H new ATOM 0 HB ILE A 92 18.124 2.705 5.532 1.00 3.30 H new ATOM 0 HG12 ILE A 92 16.936 0.541 3.798 1.00 51.00 H new ATOM 0 HG13 ILE A 92 16.210 1.386 5.150 1.00 51.00 H new ATOM 0 HG21 ILE A 92 18.486 3.405 3.197 1.00 32.15 H new ATOM 0 HG22 ILE A 92 20.005 2.900 3.975 1.00 32.15 H new ATOM 0 HG23 ILE A 92 19.187 1.810 2.831 1.00 32.15 H new ATOM 0 HD11 ILE A 92 15.232 2.120 3.032 1.00 60.33 H new ATOM 0 HD12 ILE A 92 16.102 3.460 3.815 1.00 60.33 H new ATOM 0 HD13 ILE A 92 16.840 2.602 2.441 1.00 60.33 H new ATOM 1441 N LYS A 93 19.887 1.764 7.373 1.00 40.32 N ATOM 1442 CA LYS A 93 20.919 2.288 8.260 1.00 15.41 C ATOM 1443 C LYS A 93 21.864 1.179 8.711 1.00 53.24 C ATOM 1444 O LYS A 93 23.081 1.360 8.734 1.00 32.41 O ATOM 1445 CB LYS A 93 20.280 2.956 9.480 1.00 32.32 C ATOM 1446 CG LYS A 93 21.291 3.519 10.464 1.00 34.23 C ATOM 1447 CD LYS A 93 22.123 4.625 9.837 1.00 32.33 C ATOM 1448 CE LYS A 93 21.270 5.836 9.491 1.00 63.20 C ATOM 1449 NZ LYS A 93 20.555 6.370 10.683 1.00 72.51 N ATOM 0 H LYS A 93 18.941 1.815 7.751 1.00 40.32 H new ATOM 0 HA LYS A 93 21.496 3.030 7.707 1.00 15.41 H new ATOM 0 HB2 LYS A 93 19.627 3.761 9.143 1.00 32.32 H new ATOM 0 HB3 LYS A 93 19.651 2.229 9.994 1.00 32.32 H new ATOM 0 HG2 LYS A 93 20.771 3.906 11.340 1.00 34.23 H new ATOM 0 HG3 LYS A 93 21.947 2.720 10.810 1.00 34.23 H new ATOM 0 HD2 LYS A 93 22.915 4.921 10.525 1.00 32.33 H new ATOM 0 HD3 LYS A 93 22.608 4.251 8.935 1.00 32.33 H new ATOM 0 HE2 LYS A 93 21.902 6.616 9.067 1.00 63.20 H new ATOM 0 HE3 LYS A 93 20.545 5.562 8.725 1.00 63.20 H new ATOM 0 HZ1 LYS A 93 20.239 7.342 10.492 1.00 72.51 H new ATOM 0 HZ2 LYS A 93 19.729 5.772 10.889 1.00 72.51 H new ATOM 0 HZ3 LYS A 93 21.196 6.369 11.502 1.00 72.51 H new ATOM 1463 N ALA A 94 21.295 0.032 9.066 1.00 23.31 N ATOM 1464 CA ALA A 94 22.088 -1.107 9.512 1.00 32.43 C ATOM 1465 C ALA A 94 23.014 -1.599 8.405 1.00 5.44 C ATOM 1466 O ALA A 94 24.158 -1.977 8.661 1.00 63.14 O ATOM 1467 CB ALA A 94 21.177 -2.233 9.979 1.00 22.34 C ATOM 0 H ALA A 94 20.289 -0.133 9.054 1.00 23.31 H new ATOM 0 HA ALA A 94 22.706 -0.782 10.349 1.00 32.43 H new ATOM 0 HB1 ALA A 94 21.782 -3.077 10.309 1.00 22.34 H new ATOM 0 HB2 ALA A 94 20.560 -1.883 10.807 1.00 22.34 H new ATOM 0 HB3 ALA A 94 20.535 -2.547 9.156 1.00 22.34 H new ATOM 1473 N THR A 95 22.514 -1.591 7.174 1.00 72.22 N ATOM 1474 CA THR A 95 23.296 -2.038 6.028 1.00 0.20 C ATOM 1475 C THR A 95 24.449 -1.083 5.744 1.00 45.52 C ATOM 1476 O THR A 95 25.579 -1.511 5.510 1.00 41.23 O ATOM 1477 CB THR A 95 22.423 -2.160 4.765 1.00 32.30 C ATOM 1478 OG1 THR A 95 21.381 -3.118 4.981 1.00 34.20 O ATOM 1479 CG2 THR A 95 23.261 -2.577 3.566 1.00 60.01 C ATOM 0 H THR A 95 21.570 -1.280 6.945 1.00 72.22 H new ATOM 0 HA THR A 95 23.695 -3.020 6.281 1.00 0.20 H new ATOM 0 HB THR A 95 21.983 -1.184 4.559 1.00 32.30 H new ATOM 0 HG1 THR A 95 20.795 -2.807 5.703 1.00 34.20 H new ATOM 0 HG21 THR A 95 22.623 -2.657 2.686 1.00 60.01 H new ATOM 0 HG22 THR A 95 24.035 -1.831 3.386 1.00 60.01 H new ATOM 0 HG23 THR A 95 23.726 -3.542 3.765 1.00 60.01 H new ATOM 1487 N ALA A 96 24.157 0.214 5.767 1.00 65.24 N ATOM 1488 CA ALA A 96 25.172 1.230 5.514 1.00 34.11 C ATOM 1489 C ALA A 96 26.232 1.232 6.610 1.00 33.22 C ATOM 1490 O ALA A 96 27.429 1.215 6.327 1.00 1.14 O ATOM 1491 CB ALA A 96 24.526 2.603 5.399 1.00 30.21 C ATOM 0 H ALA A 96 23.226 0.586 5.958 1.00 65.24 H new ATOM 0 HA ALA A 96 25.663 0.991 4.571 1.00 34.11 H new ATOM 0 HB1 ALA A 96 25.295 3.352 5.210 1.00 30.21 H new ATOM 0 HB2 ALA A 96 23.811 2.601 4.576 1.00 30.21 H new ATOM 0 HB3 ALA A 96 24.008 2.841 6.328 1.00 30.21 H new ATOM 1497 N GLU A 97 25.783 1.253 7.861 1.00 32.13 N ATOM 1498 CA GLU A 97 26.695 1.259 8.999 1.00 34.33 C ATOM 1499 C GLU A 97 27.552 -0.004 9.016 1.00 12.30 C ATOM 1500 O GLU A 97 28.702 0.018 9.456 1.00 15.20 O ATOM 1501 CB GLU A 97 25.911 1.374 10.308 1.00 30.34 C ATOM 1502 CG GLU A 97 25.389 0.043 10.824 1.00 2.14 C ATOM 1503 CD GLU A 97 26.401 -0.685 11.687 1.00 21.25 C ATOM 1504 OE1 GLU A 97 27.119 -0.013 12.457 1.00 51.23 O ATOM 1505 OE2 GLU A 97 26.475 -1.928 11.593 1.00 34.43 O ATOM 0 H GLU A 97 24.794 1.266 8.112 1.00 32.13 H new ATOM 0 HA GLU A 97 27.353 2.122 8.901 1.00 34.33 H new ATOM 0 HB2 GLU A 97 26.552 1.822 11.067 1.00 30.34 H new ATOM 0 HB3 GLU A 97 25.070 2.052 10.160 1.00 30.34 H new ATOM 0 HG2 GLU A 97 24.480 0.213 11.401 1.00 2.14 H new ATOM 0 HG3 GLU A 97 25.117 -0.589 9.979 1.00 2.14 H new ATOM 1512 N LYS A 98 26.984 -1.104 8.534 1.00 13.21 N ATOM 1513 CA LYS A 98 27.694 -2.377 8.492 1.00 53.31 C ATOM 1514 C LYS A 98 28.982 -2.255 7.684 1.00 12.42 C ATOM 1515 O LYS A 98 30.003 -2.849 8.031 1.00 34.32 O ATOM 1516 CB LYS A 98 26.801 -3.462 7.887 1.00 32.40 C ATOM 1517 CG LYS A 98 26.309 -4.481 8.901 1.00 2.53 C ATOM 1518 CD LYS A 98 27.375 -5.517 9.212 1.00 25.43 C ATOM 1519 CE LYS A 98 26.995 -6.363 10.418 1.00 64.41 C ATOM 1520 NZ LYS A 98 26.862 -5.541 11.652 1.00 32.44 N ATOM 0 H LYS A 98 26.033 -1.140 8.167 1.00 13.21 H new ATOM 0 HA LYS A 98 27.952 -2.655 9.514 1.00 53.31 H new ATOM 0 HB2 LYS A 98 25.941 -2.990 7.412 1.00 32.40 H new ATOM 0 HB3 LYS A 98 27.353 -3.980 7.103 1.00 32.40 H new ATOM 0 HG2 LYS A 98 26.018 -3.971 9.819 1.00 2.53 H new ATOM 0 HG3 LYS A 98 25.419 -4.978 8.516 1.00 2.53 H new ATOM 0 HD2 LYS A 98 27.521 -6.162 8.345 1.00 25.43 H new ATOM 0 HD3 LYS A 98 28.325 -5.017 9.401 1.00 25.43 H new ATOM 0 HE2 LYS A 98 26.054 -6.876 10.220 1.00 64.41 H new ATOM 0 HE3 LYS A 98 27.751 -7.133 10.574 1.00 64.41 H new ATOM 0 HZ1 LYS A 98 27.326 -6.028 12.445 1.00 32.44 H new ATOM 0 HZ2 LYS A 98 27.312 -4.616 11.503 1.00 32.44 H new ATOM 0 HZ3 LYS A 98 25.855 -5.404 11.871 1.00 32.44 H new ATOM 1534 N PHE A 99 28.928 -1.479 6.606 1.00 32.33 N ATOM 1535 CA PHE A 99 30.091 -1.279 5.750 1.00 52.14 C ATOM 1536 C PHE A 99 31.235 -0.637 6.528 1.00 44.31 C ATOM 1537 O PHE A 99 32.408 -0.878 6.242 1.00 24.34 O ATOM 1538 CB PHE A 99 29.722 -0.405 4.549 1.00 32.01 C ATOM 1539 CG PHE A 99 29.216 -1.188 3.371 1.00 45.52 C ATOM 1540 CD1 PHE A 99 29.968 -2.221 2.835 1.00 32.33 C ATOM 1541 CD2 PHE A 99 27.990 -0.890 2.799 1.00 41.30 C ATOM 1542 CE1 PHE A 99 29.505 -2.942 1.751 1.00 64.33 C ATOM 1543 CE2 PHE A 99 27.522 -1.608 1.714 1.00 3.54 C ATOM 1544 CZ PHE A 99 28.281 -2.636 1.190 1.00 14.13 C ATOM 0 H PHE A 99 28.092 -0.979 6.305 1.00 32.33 H new ATOM 0 HA PHE A 99 30.421 -2.255 5.393 1.00 52.14 H new ATOM 0 HB2 PHE A 99 28.960 0.313 4.853 1.00 32.01 H new ATOM 0 HB3 PHE A 99 30.597 0.169 4.245 1.00 32.01 H new ATOM 0 HD1 PHE A 99 30.926 -2.465 3.269 1.00 32.33 H new ATOM 0 HD2 PHE A 99 27.393 -0.087 3.205 1.00 41.30 H new ATOM 0 HE1 PHE A 99 30.101 -3.745 1.342 1.00 64.33 H new ATOM 0 HE2 PHE A 99 26.565 -1.365 1.277 1.00 3.54 H new ATOM 0 HZ PHE A 99 27.918 -3.199 0.343 1.00 14.13 H new ATOM 1554 N LYS A 100 30.886 0.184 7.513 1.00 71.22 N ATOM 1555 CA LYS A 100 31.882 0.862 8.334 1.00 32.32 C ATOM 1556 C LYS A 100 32.764 -0.147 9.063 1.00 62.03 C ATOM 1557 O LYS A 100 33.921 0.136 9.373 1.00 55.13 O ATOM 1558 CB LYS A 100 31.197 1.781 9.348 1.00 53.34 C ATOM 1559 CG LYS A 100 30.309 2.835 8.709 1.00 14.32 C ATOM 1560 CD LYS A 100 30.182 4.066 9.591 1.00 40.31 C ATOM 1561 CE LYS A 100 31.266 5.088 9.281 1.00 75.21 C ATOM 1562 NZ LYS A 100 30.987 6.403 9.920 1.00 14.52 N ATOM 0 H LYS A 100 29.920 0.396 7.762 1.00 71.22 H new ATOM 0 HA LYS A 100 32.512 1.461 7.676 1.00 32.32 H new ATOM 0 HB2 LYS A 100 30.597 1.176 10.028 1.00 53.34 H new ATOM 0 HB3 LYS A 100 31.959 2.276 9.950 1.00 53.34 H new ATOM 0 HG2 LYS A 100 30.721 3.121 7.741 1.00 14.32 H new ATOM 0 HG3 LYS A 100 29.320 2.415 8.524 1.00 14.32 H new ATOM 0 HD2 LYS A 100 29.201 4.519 9.446 1.00 40.31 H new ATOM 0 HD3 LYS A 100 30.246 3.772 10.639 1.00 40.31 H new ATOM 0 HE2 LYS A 100 32.229 4.713 9.628 1.00 75.21 H new ATOM 0 HE3 LYS A 100 31.345 5.218 8.202 1.00 75.21 H new ATOM 0 HZ1 LYS A 100 31.748 7.072 9.685 1.00 14.52 H new ATOM 0 HZ2 LYS A 100 30.080 6.774 9.570 1.00 14.52 H new ATOM 0 HZ3 LYS A 100 30.937 6.284 10.952 1.00 14.52 H new ATOM 1576 N ASN A 101 32.211 -1.325 9.331 1.00 32.14 N ATOM 1577 CA ASN A 101 32.949 -2.376 10.023 1.00 74.34 C ATOM 1578 C ASN A 101 34.169 -2.806 9.214 1.00 31.21 C ATOM 1579 O ASN A 101 35.087 -3.434 9.741 1.00 24.13 O ATOM 1580 CB ASN A 101 32.041 -3.582 10.278 1.00 44.43 C ATOM 1581 CG ASN A 101 30.947 -3.279 11.283 1.00 53.14 C ATOM 1582 OD1 ASN A 101 31.042 -2.323 12.052 1.00 2.40 O ATOM 1583 ND2 ASN A 101 29.899 -4.095 11.280 1.00 22.21 N ATOM 0 H ASN A 101 31.255 -1.576 9.080 1.00 32.14 H new ATOM 0 HA ASN A 101 33.290 -1.978 10.979 1.00 74.34 H new ATOM 0 HB2 ASN A 101 31.589 -3.899 9.338 1.00 44.43 H new ATOM 0 HB3 ASN A 101 32.642 -4.416 10.640 1.00 44.43 H new ATOM 0 HD21 ASN A 101 29.131 -3.941 11.933 1.00 22.21 H new ATOM 0 HD22 ASN A 101 29.862 -4.876 10.624 1.00 22.21 H new ATOM 1590 N LYS A 102 34.172 -2.463 7.930 1.00 31.24 N ATOM 1591 CA LYS A 102 35.279 -2.811 7.048 1.00 41.03 C ATOM 1592 C LYS A 102 36.118 -1.581 6.716 1.00 54.30 C ATOM 1593 O LYS A 102 37.127 -1.675 6.019 1.00 1.12 O ATOM 1594 CB LYS A 102 34.751 -3.444 5.758 1.00 21.14 C ATOM 1595 CG LYS A 102 35.225 -4.871 5.543 1.00 41.10 C ATOM 1596 CD LYS A 102 34.664 -5.810 6.597 1.00 34.31 C ATOM 1597 CE LYS A 102 34.987 -7.262 6.279 1.00 72.11 C ATOM 1598 NZ LYS A 102 34.428 -7.679 4.963 1.00 21.20 N ATOM 0 H LYS A 102 33.420 -1.944 7.477 1.00 31.24 H new ATOM 0 HA LYS A 102 35.911 -3.531 7.567 1.00 41.03 H new ATOM 0 HB2 LYS A 102 33.661 -3.431 5.776 1.00 21.14 H new ATOM 0 HB3 LYS A 102 35.063 -2.835 4.910 1.00 21.14 H new ATOM 0 HG2 LYS A 102 34.921 -5.211 4.553 1.00 41.10 H new ATOM 0 HG3 LYS A 102 36.314 -4.901 5.570 1.00 41.10 H new ATOM 0 HD2 LYS A 102 35.074 -5.550 7.573 1.00 34.31 H new ATOM 0 HD3 LYS A 102 33.583 -5.682 6.661 1.00 34.31 H new ATOM 0 HE2 LYS A 102 36.068 -7.401 6.275 1.00 72.11 H new ATOM 0 HE3 LYS A 102 34.586 -7.904 7.064 1.00 72.11 H new ATOM 0 HZ1 LYS A 102 34.379 -8.717 4.920 1.00 21.20 H new ATOM 0 HZ2 LYS A 102 33.473 -7.283 4.850 1.00 21.20 H new ATOM 0 HZ3 LYS A 102 35.041 -7.329 4.199 1.00 21.20 H new ATOM 1612 N GLY A 103 35.693 -0.426 7.221 1.00 32.44 N ATOM 1613 CA GLY A 103 36.417 0.805 6.969 1.00 41.44 C ATOM 1614 C GLY A 103 35.865 1.570 5.782 1.00 72.43 C ATOM 1615 O GLY A 103 36.484 1.612 4.719 1.00 44.24 O ATOM 0 H GLY A 103 34.860 -0.322 7.800 1.00 32.44 H new ATOM 0 HA2 GLY A 103 36.374 1.437 7.856 1.00 41.44 H new ATOM 0 HA3 GLY A 103 37.468 0.575 6.792 1.00 41.44 H new ATOM 1619 N PHE A 104 34.695 2.174 5.961 1.00 31.15 N ATOM 1620 CA PHE A 104 34.057 2.938 4.896 1.00 44.14 C ATOM 1621 C PHE A 104 33.228 4.084 5.469 1.00 63.32 C ATOM 1622 O PHE A 104 33.005 4.160 6.677 1.00 0.22 O ATOM 1623 CB PHE A 104 33.170 2.026 4.046 1.00 14.31 C ATOM 1624 CG PHE A 104 33.943 1.097 3.155 1.00 4.21 C ATOM 1625 CD1 PHE A 104 34.420 -0.111 3.639 1.00 44.53 C ATOM 1626 CD2 PHE A 104 34.193 1.431 1.834 1.00 42.12 C ATOM 1627 CE1 PHE A 104 35.133 -0.967 2.821 1.00 3.20 C ATOM 1628 CE2 PHE A 104 34.905 0.579 1.011 1.00 23.52 C ATOM 1629 CZ PHE A 104 35.375 -0.623 1.505 1.00 10.54 C ATOM 0 H PHE A 104 34.169 2.149 6.835 1.00 31.15 H new ATOM 0 HA PHE A 104 34.840 3.360 4.267 1.00 44.14 H new ATOM 0 HB2 PHE A 104 32.532 1.437 4.705 1.00 14.31 H new ATOM 0 HB3 PHE A 104 32.513 2.642 3.432 1.00 14.31 H new ATOM 0 HD1 PHE A 104 34.233 -0.386 4.666 1.00 44.53 H new ATOM 0 HD2 PHE A 104 33.827 2.369 1.442 1.00 42.12 H new ATOM 0 HE1 PHE A 104 35.501 -1.905 3.211 1.00 3.20 H new ATOM 0 HE2 PHE A 104 35.094 0.852 -0.017 1.00 23.52 H new ATOM 0 HZ PHE A 104 35.930 -1.292 0.864 1.00 10.54 H new ATOM 1639 N LYS A 105 32.775 4.974 4.593 1.00 74.33 N ATOM 1640 CA LYS A 105 31.969 6.116 5.009 1.00 65.12 C ATOM 1641 C LYS A 105 30.492 5.877 4.712 1.00 4.23 C ATOM 1642 O LYS A 105 30.141 5.295 3.686 1.00 21.21 O ATOM 1643 CB LYS A 105 32.444 7.386 4.299 1.00 2.15 C ATOM 1644 CG LYS A 105 31.693 8.636 4.724 1.00 45.42 C ATOM 1645 CD LYS A 105 32.025 9.027 6.154 1.00 0.52 C ATOM 1646 CE LYS A 105 33.221 9.965 6.213 1.00 64.13 C ATOM 1647 NZ LYS A 105 33.187 10.833 7.422 1.00 51.41 N ATOM 0 H LYS A 105 32.952 4.927 3.590 1.00 74.33 H new ATOM 0 HA LYS A 105 32.089 6.241 6.085 1.00 65.12 H new ATOM 0 HB2 LYS A 105 33.507 7.526 4.495 1.00 2.15 H new ATOM 0 HB3 LYS A 105 32.333 7.254 3.223 1.00 2.15 H new ATOM 0 HG2 LYS A 105 31.944 9.458 4.054 1.00 45.42 H new ATOM 0 HG3 LYS A 105 30.620 8.466 4.632 1.00 45.42 H new ATOM 0 HD2 LYS A 105 31.160 9.509 6.610 1.00 0.52 H new ATOM 0 HD3 LYS A 105 32.235 8.131 6.738 1.00 0.52 H new ATOM 0 HE2 LYS A 105 34.141 9.381 6.212 1.00 64.13 H new ATOM 0 HE3 LYS A 105 33.238 10.588 5.319 1.00 64.13 H new ATOM 0 HZ1 LYS A 105 34.019 11.457 7.425 1.00 51.41 H new ATOM 0 HZ2 LYS A 105 32.322 11.410 7.411 1.00 51.41 H new ATOM 0 HZ3 LYS A 105 33.197 10.239 8.276 1.00 51.41 H new ATOM 1661 N VAL A 106 29.631 6.332 5.617 1.00 52.24 N ATOM 1662 CA VAL A 106 28.191 6.170 5.450 1.00 4.44 C ATOM 1663 C VAL A 106 27.486 7.522 5.422 1.00 62.23 C ATOM 1664 O VAL A 106 27.662 8.343 6.321 1.00 14.10 O ATOM 1665 CB VAL A 106 27.589 5.313 6.579 1.00 11.12 C ATOM 1666 CG1 VAL A 106 26.081 5.201 6.418 1.00 74.23 C ATOM 1667 CG2 VAL A 106 28.235 3.936 6.604 1.00 13.04 C ATOM 0 H VAL A 106 29.905 6.815 6.472 1.00 52.24 H new ATOM 0 HA VAL A 106 28.037 5.663 4.497 1.00 4.44 H new ATOM 0 HB VAL A 106 27.793 5.802 7.532 1.00 11.12 H new ATOM 0 HG11 VAL A 106 25.673 4.592 7.225 1.00 74.23 H new ATOM 0 HG12 VAL A 106 25.636 6.196 6.454 1.00 74.23 H new ATOM 0 HG13 VAL A 106 25.851 4.735 5.460 1.00 74.23 H new ATOM 0 HG21 VAL A 106 27.798 3.344 7.408 1.00 13.04 H new ATOM 0 HG22 VAL A 106 28.064 3.436 5.651 1.00 13.04 H new ATOM 0 HG23 VAL A 106 29.307 4.040 6.772 1.00 13.04 H new ATOM 1677 N GLU A 107 26.688 7.745 4.382 1.00 34.45 N ATOM 1678 CA GLU A 107 25.956 8.997 4.237 1.00 11.41 C ATOM 1679 C GLU A 107 24.477 8.735 3.966 1.00 42.53 C ATOM 1680 O GLU A 107 24.122 7.802 3.246 1.00 34.50 O ATOM 1681 CB GLU A 107 26.553 9.834 3.104 1.00 43.21 C ATOM 1682 CG GLU A 107 25.731 11.064 2.756 1.00 30.25 C ATOM 1683 CD GLU A 107 25.631 12.044 3.909 1.00 30.55 C ATOM 1684 OE1 GLU A 107 26.689 12.457 4.430 1.00 73.44 O ATOM 1685 OE2 GLU A 107 24.496 12.397 4.292 1.00 60.12 O ATOM 0 H GLU A 107 26.533 7.075 3.629 1.00 34.45 H new ATOM 0 HA GLU A 107 26.044 9.550 5.172 1.00 11.41 H new ATOM 0 HB2 GLU A 107 27.558 10.147 3.386 1.00 43.21 H new ATOM 0 HB3 GLU A 107 26.651 9.210 2.216 1.00 43.21 H new ATOM 0 HG2 GLU A 107 26.178 11.564 1.897 1.00 30.25 H new ATOM 0 HG3 GLU A 107 24.729 10.755 2.459 1.00 30.25 H new ATOM 1692 N THR A 108 23.618 9.567 4.548 1.00 63.23 N ATOM 1693 CA THR A 108 22.179 9.425 4.371 1.00 14.31 C ATOM 1694 C THR A 108 21.578 10.672 3.731 1.00 21.41 C ATOM 1695 O THR A 108 21.933 11.796 4.086 1.00 32.23 O ATOM 1696 CB THR A 108 21.471 9.160 5.714 1.00 64.15 C ATOM 1697 OG1 THR A 108 21.988 10.036 6.721 1.00 11.41 O ATOM 1698 CG2 THR A 108 21.659 7.714 6.147 1.00 31.13 C ATOM 0 H THR A 108 23.895 10.346 5.146 1.00 63.23 H new ATOM 0 HA THR A 108 22.025 8.571 3.712 1.00 14.31 H new ATOM 0 HB THR A 108 20.405 9.348 5.582 1.00 64.15 H new ATOM 0 HG1 THR A 108 21.532 9.863 7.571 1.00 11.41 H new ATOM 0 HG21 THR A 108 21.151 7.550 7.097 1.00 31.13 H new ATOM 0 HG22 THR A 108 21.239 7.050 5.391 1.00 31.13 H new ATOM 0 HG23 THR A 108 22.722 7.504 6.263 1.00 31.13 H new ATOM 1706 N ASP A 109 20.667 10.465 2.787 1.00 51.43 N ATOM 1707 CA ASP A 109 20.015 11.573 2.098 1.00 42.31 C ATOM 1708 C ASP A 109 18.498 11.463 2.206 1.00 15.22 C ATOM 1709 O ASP A 109 17.868 10.694 1.480 1.00 1.23 O ATOM 1710 CB ASP A 109 20.433 11.604 0.627 1.00 61.00 C ATOM 1711 CG ASP A 109 20.546 13.016 0.086 1.00 32.14 C ATOM 1712 OD1 ASP A 109 19.497 13.615 -0.232 1.00 42.20 O ATOM 1713 OD2 ASP A 109 21.682 13.522 -0.017 1.00 45.13 O ATOM 0 H ASP A 109 20.363 9.541 2.481 1.00 51.43 H new ATOM 0 HA ASP A 109 20.329 12.501 2.576 1.00 42.31 H new ATOM 0 HB2 ASP A 109 21.391 11.097 0.514 1.00 61.00 H new ATOM 0 HB3 ASP A 109 19.707 11.048 0.034 1.00 61.00 H new ATOM 1718 N MET A 110 17.917 12.236 3.118 1.00 52.31 N ATOM 1719 CA MET A 110 16.473 12.225 3.321 1.00 53.22 C ATOM 1720 C MET A 110 15.871 13.595 3.022 1.00 62.21 C ATOM 1721 O MET A 110 14.945 13.716 2.219 1.00 63.23 O ATOM 1722 CB MET A 110 16.141 11.812 4.756 1.00 71.31 C ATOM 1723 CG MET A 110 16.680 12.771 5.805 1.00 70.13 C ATOM 1724 SD MET A 110 15.946 12.507 7.430 1.00 34.01 S ATOM 1725 CE MET A 110 14.753 13.842 7.483 1.00 35.24 C ATOM 0 H MET A 110 18.424 12.878 3.728 1.00 52.31 H new ATOM 0 HA MET A 110 16.040 11.499 2.632 1.00 53.22 H new ATOM 0 HB2 MET A 110 15.059 11.740 4.863 1.00 71.31 H new ATOM 0 HB3 MET A 110 16.547 10.818 4.942 1.00 71.31 H new ATOM 0 HG2 MET A 110 17.761 12.655 5.876 1.00 70.13 H new ATOM 0 HG3 MET A 110 16.489 13.796 5.487 1.00 70.13 H new ATOM 0 HE1 MET A 110 14.216 13.813 8.431 1.00 35.24 H new ATOM 0 HE2 MET A 110 15.271 14.797 7.388 1.00 35.24 H new ATOM 0 HE3 MET A 110 14.045 13.730 6.662 1.00 35.24 H new TER 1735 MET A 110