USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 623 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 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 74 LYS NZ :NH3+ -175:sc= 0.00781 (180deg=0) USER MOD Set 2.2: A 76 THR OG1 : rot 160:sc= 0.00609 USER MOD Set 3.1: A 70 GLN : amide:sc= -0.5 X(o=-1.2,f=-1.5) USER MOD Set 3.2: A 92 GLN : amide:sc= -0.746 K(o=-1.2,f=-4.2) USER MOD Set 4.1: A 67 THR OG1 : rot 151:sc= -0.477 USER MOD Set 4.2: A 69 ASN : amide:sc= -3.93 K(o=-4.4,f=-2.4) USER MOD Single : A 7 SER OG : rot 180:sc= -1.88 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 69:sc= 1.02 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.345 X(o=-0.34,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 65:sc= 0.247 USER MOD Single : A 34 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.6) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.34! C(o=-4.3!,f=-2.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -170:sc= 1.05 USER MOD Single : A 42 GLN : amide:sc= -0.783 K(o=-0.78,f=-0.22) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 47 SER OG : rot -130:sc= -0.623 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0431 X(o=-0.043,f=-0.043) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0838 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.77 K(o=-2.8,f=-4.6!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.273 USER MOD Single : A 62 HIS : no HE2:sc= -3.15 X(o=-3.1,f=-3.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.6) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0105 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0267 USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 4 3.443 7.597 -3.237 1.00 3.02 N ATOM 43 CA ALA A 4 4.582 8.017 -4.044 1.00 24.14 C ATOM 44 C ALA A 4 4.575 9.526 -4.261 1.00 12.24 C ATOM 45 O ALA A 4 3.514 10.143 -4.367 1.00 40.20 O ATOM 46 CB ALA A 4 4.579 7.290 -5.380 1.00 62.50 C ATOM 0 HA ALA A 4 5.493 7.758 -3.504 1.00 24.14 H new ATOM 0 HB1 ALA A 4 5.435 7.613 -5.972 1.00 62.50 H new ATOM 0 HB2 ALA A 4 4.641 6.215 -5.210 1.00 62.50 H new ATOM 0 HB3 ALA A 4 3.659 7.520 -5.917 1.00 62.50 H new ATOM 52 N LEU A 5 5.763 10.116 -4.325 1.00 25.24 N ATOM 53 CA LEU A 5 5.894 11.554 -4.528 1.00 51.54 C ATOM 54 C LEU A 5 5.031 12.019 -5.697 1.00 40.41 C ATOM 55 O LEU A 5 4.729 11.246 -6.606 1.00 34.44 O ATOM 56 CB LEU A 5 7.357 11.923 -4.781 1.00 52.04 C ATOM 57 CG LEU A 5 8.035 11.213 -5.953 1.00 71.54 C ATOM 58 CD1 LEU A 5 9.000 12.152 -6.661 1.00 34.51 C ATOM 59 CD2 LEU A 5 8.759 9.964 -5.473 1.00 24.51 C ATOM 0 H LEU A 5 6.650 9.620 -4.239 1.00 25.24 H new ATOM 0 HA LEU A 5 5.551 12.056 -3.624 1.00 51.54 H new ATOM 0 HB2 LEU A 5 7.416 12.998 -4.950 1.00 52.04 H new ATOM 0 HB3 LEU A 5 7.926 11.711 -3.876 1.00 52.04 H new ATOM 0 HG LEU A 5 7.266 10.912 -6.664 1.00 71.54 H new ATOM 0 HD11 LEU A 5 9.473 11.629 -7.492 1.00 34.51 H new ATOM 0 HD12 LEU A 5 8.455 13.017 -7.040 1.00 34.51 H new ATOM 0 HD13 LEU A 5 9.765 12.484 -5.959 1.00 34.51 H new ATOM 0 HD21 LEU A 5 9.236 9.471 -6.320 1.00 24.51 H new ATOM 0 HD22 LEU A 5 9.517 10.242 -4.741 1.00 24.51 H new ATOM 0 HD23 LEU A 5 8.043 9.283 -5.013 1.00 24.51 H new ATOM 71 N VAL A 6 4.639 13.289 -5.668 1.00 41.33 N ATOM 72 CA VAL A 6 3.814 13.859 -6.727 1.00 31.22 C ATOM 73 C VAL A 6 4.107 15.343 -6.913 1.00 51.25 C ATOM 74 O VAL A 6 4.311 15.810 -8.034 1.00 62.00 O ATOM 75 CB VAL A 6 2.314 13.676 -6.428 1.00 52.55 C ATOM 76 CG1 VAL A 6 1.470 14.313 -7.522 1.00 44.53 C ATOM 77 CG2 VAL A 6 1.977 12.201 -6.275 1.00 60.13 C ATOM 0 H VAL A 6 4.879 13.943 -4.923 1.00 41.33 H new ATOM 0 HA VAL A 6 4.062 13.325 -7.645 1.00 31.22 H new ATOM 0 HB VAL A 6 2.085 14.177 -5.487 1.00 52.55 H new ATOM 0 HG11 VAL A 6 0.413 14.174 -7.294 1.00 44.53 H new ATOM 0 HG12 VAL A 6 1.692 15.379 -7.579 1.00 44.53 H new ATOM 0 HG13 VAL A 6 1.700 13.843 -8.479 1.00 44.53 H new ATOM 0 HG21 VAL A 6 0.913 12.091 -6.064 1.00 60.13 H new ATOM 0 HG22 VAL A 6 2.220 11.675 -7.198 1.00 60.13 H new ATOM 0 HG23 VAL A 6 2.555 11.779 -5.453 1.00 60.13 H new ATOM 87 N SER A 7 4.126 16.081 -5.808 1.00 24.42 N ATOM 88 CA SER A 7 4.391 17.514 -5.849 1.00 64.14 C ATOM 89 C SER A 7 4.442 18.098 -4.441 1.00 3.11 C ATOM 90 O SER A 7 4.103 17.427 -3.466 1.00 72.42 O ATOM 91 CB SER A 7 3.318 18.229 -6.672 1.00 34.21 C ATOM 92 OG SER A 7 2.209 17.379 -6.912 1.00 1.34 O ATOM 0 H SER A 7 3.961 15.710 -4.872 1.00 24.42 H new ATOM 0 HA SER A 7 5.362 17.665 -6.321 1.00 64.14 H new ATOM 0 HB2 SER A 7 2.987 19.124 -6.145 1.00 34.21 H new ATOM 0 HB3 SER A 7 3.741 18.557 -7.621 1.00 34.21 H new ATOM 0 HG SER A 7 1.536 17.860 -7.438 1.00 1.34 H new ATOM 98 N ILE A 8 4.869 19.353 -4.343 1.00 34.33 N ATOM 99 CA ILE A 8 4.963 20.028 -3.055 1.00 2.34 C ATOM 100 C ILE A 8 4.799 21.536 -3.211 1.00 42.23 C ATOM 101 O ILE A 8 5.354 22.139 -4.130 1.00 51.10 O ATOM 102 CB ILE A 8 6.309 19.739 -2.364 1.00 62.45 C ATOM 103 CG1 ILE A 8 6.447 20.580 -1.094 1.00 45.43 C ATOM 104 CG2 ILE A 8 7.463 20.014 -3.317 1.00 70.11 C ATOM 105 CD1 ILE A 8 7.067 19.830 0.064 1.00 73.43 C ATOM 0 H ILE A 8 5.155 19.922 -5.140 1.00 34.33 H new ATOM 0 HA ILE A 8 4.155 19.639 -2.436 1.00 2.34 H new ATOM 0 HB ILE A 8 6.338 18.686 -2.084 1.00 62.45 H new ATOM 0 HG12 ILE A 8 7.054 21.458 -1.314 1.00 45.43 H new ATOM 0 HG13 ILE A 8 5.462 20.940 -0.797 1.00 45.43 H new ATOM 0 HG21 ILE A 8 8.407 19.805 -2.815 1.00 70.11 H new ATOM 0 HG22 ILE A 8 7.370 19.375 -4.195 1.00 70.11 H new ATOM 0 HG23 ILE A 8 7.439 21.059 -3.625 1.00 70.11 H new ATOM 0 HD11 ILE A 8 7.133 20.488 0.930 1.00 73.43 H new ATOM 0 HD12 ILE A 8 6.449 18.967 0.311 1.00 73.43 H new ATOM 0 HD13 ILE A 8 8.066 19.494 -0.213 1.00 73.43 H new ATOM 117 N SER A 9 4.035 22.140 -2.307 1.00 11.01 N ATOM 118 CA SER A 9 3.796 23.578 -2.345 1.00 50.04 C ATOM 119 C SER A 9 4.748 24.312 -1.406 1.00 40.32 C ATOM 120 O SER A 9 4.631 24.216 -0.185 1.00 35.15 O ATOM 121 CB SER A 9 2.347 23.886 -1.964 1.00 32.00 C ATOM 122 OG SER A 9 1.856 25.003 -2.685 1.00 30.12 O ATOM 0 H SER A 9 3.571 21.656 -1.539 1.00 11.01 H new ATOM 0 HA SER A 9 3.978 23.925 -3.362 1.00 50.04 H new ATOM 0 HB2 SER A 9 1.722 23.016 -2.165 1.00 32.00 H new ATOM 0 HB3 SER A 9 2.283 24.083 -0.894 1.00 32.00 H new ATOM 0 HG SER A 9 0.928 25.178 -2.425 1.00 30.12 H new ATOM 128 N VAL A 10 5.692 25.047 -1.986 1.00 61.32 N ATOM 129 CA VAL A 10 6.665 25.799 -1.203 1.00 33.13 C ATOM 130 C VAL A 10 6.443 27.300 -1.347 1.00 4.42 C ATOM 131 O VAL A 10 6.266 27.809 -2.454 1.00 35.43 O ATOM 132 CB VAL A 10 8.107 25.461 -1.624 1.00 61.12 C ATOM 133 CG1 VAL A 10 8.392 23.982 -1.413 1.00 65.25 C ATOM 134 CG2 VAL A 10 8.345 25.857 -3.074 1.00 33.13 C ATOM 0 H VAL A 10 5.803 25.137 -2.996 1.00 61.32 H new ATOM 0 HA VAL A 10 6.523 25.512 -0.161 1.00 33.13 H new ATOM 0 HB VAL A 10 8.793 26.031 -0.998 1.00 61.12 H new ATOM 0 HG11 VAL A 10 9.416 23.762 -1.716 1.00 65.25 H new ATOM 0 HG12 VAL A 10 8.264 23.733 -0.359 1.00 65.25 H new ATOM 0 HG13 VAL A 10 7.701 23.389 -2.012 1.00 65.25 H new ATOM 0 HG21 VAL A 10 9.369 25.611 -3.355 1.00 33.13 H new ATOM 0 HG22 VAL A 10 7.652 25.315 -3.718 1.00 33.13 H new ATOM 0 HG23 VAL A 10 8.185 26.929 -3.189 1.00 33.13 H new ATOM 144 N SER A 11 6.456 28.006 -0.220 1.00 61.32 N ATOM 145 CA SER A 11 6.253 29.450 -0.220 1.00 64.22 C ATOM 146 C SER A 11 7.511 30.175 0.248 1.00 24.14 C ATOM 147 O SER A 11 7.567 30.728 1.347 1.00 41.32 O ATOM 148 CB SER A 11 5.073 29.820 0.679 1.00 14.32 C ATOM 149 OG SER A 11 4.691 31.172 0.489 1.00 23.24 O ATOM 0 H SER A 11 6.605 27.601 0.704 1.00 61.32 H new ATOM 0 HA SER A 11 6.034 29.762 -1.241 1.00 64.22 H new ATOM 0 HB2 SER A 11 4.228 29.166 0.463 1.00 14.32 H new ATOM 0 HB3 SER A 11 5.342 29.658 1.723 1.00 14.32 H new ATOM 0 HG SER A 11 3.934 31.383 1.074 1.00 23.24 H new ATOM 155 N PRO A 12 8.547 30.173 -0.604 1.00 71.51 N ATOM 156 CA PRO A 12 9.824 30.826 -0.301 1.00 34.24 C ATOM 157 C PRO A 12 9.709 32.346 -0.291 1.00 12.34 C ATOM 158 O PRO A 12 8.860 32.920 -0.974 1.00 11.33 O ATOM 159 CB PRO A 12 10.737 30.366 -1.440 1.00 31.13 C ATOM 160 CG PRO A 12 9.811 30.052 -2.564 1.00 44.32 C ATOM 161 CD PRO A 12 8.551 29.532 -1.930 1.00 52.53 C ATOM 0 HA PRO A 12 10.192 30.562 0.691 1.00 34.24 H new ATOM 0 HB2 PRO A 12 11.447 31.145 -1.718 1.00 31.13 H new ATOM 0 HB3 PRO A 12 11.320 29.492 -1.151 1.00 31.13 H new ATOM 0 HG2 PRO A 12 9.609 30.940 -3.163 1.00 44.32 H new ATOM 0 HG3 PRO A 12 10.247 29.309 -3.233 1.00 44.32 H new ATOM 0 HD2 PRO A 12 7.668 29.802 -2.510 1.00 52.53 H new ATOM 0 HD3 PRO A 12 8.560 28.445 -1.851 1.00 52.53 H new ATOM 169 N THR A 13 10.569 32.995 0.488 1.00 1.12 N ATOM 170 CA THR A 13 10.564 34.449 0.588 1.00 53.14 C ATOM 171 C THR A 13 11.859 35.042 0.045 1.00 53.15 C ATOM 172 O THR A 13 12.930 34.843 0.615 1.00 44.22 O ATOM 173 CB THR A 13 10.372 34.912 2.044 1.00 34.12 C ATOM 174 OG1 THR A 13 9.208 34.294 2.605 1.00 0.02 O ATOM 175 CG2 THR A 13 10.234 36.425 2.117 1.00 14.14 C ATOM 0 H THR A 13 11.278 32.536 1.059 1.00 1.12 H new ATOM 0 HA THR A 13 9.726 34.804 -0.011 1.00 53.14 H new ATOM 0 HB THR A 13 11.252 34.615 2.615 1.00 34.12 H new ATOM 0 HG1 THR A 13 9.094 34.592 3.532 1.00 0.02 H new ATOM 0 HG21 THR A 13 10.099 36.728 3.155 1.00 14.14 H new ATOM 0 HG22 THR A 13 11.134 36.892 1.716 1.00 14.14 H new ATOM 0 HG23 THR A 13 9.370 36.740 1.532 1.00 14.14 H new ATOM 183 N ASN A 14 11.752 35.772 -1.061 1.00 51.10 N ATOM 184 CA ASN A 14 12.916 36.395 -1.681 1.00 72.32 C ATOM 185 C ASN A 14 12.990 37.878 -1.332 1.00 23.14 C ATOM 186 O ASN A 14 12.693 38.737 -2.161 1.00 45.43 O ATOM 187 CB ASN A 14 12.865 36.219 -3.200 1.00 43.33 C ATOM 188 CG ASN A 14 11.519 36.604 -3.782 1.00 72.13 C ATOM 189 OD1 ASN A 14 10.526 35.899 -3.599 1.00 25.23 O ATOM 190 ND2 ASN A 14 11.479 37.728 -4.489 1.00 20.42 N ATOM 0 H ASN A 14 10.872 35.946 -1.546 1.00 51.10 H new ATOM 0 HA ASN A 14 13.809 35.904 -1.294 1.00 72.32 H new ATOM 0 HB2 ASN A 14 13.644 36.827 -3.660 1.00 43.33 H new ATOM 0 HB3 ASN A 14 13.082 35.181 -3.450 1.00 43.33 H new ATOM 0 HD21 ASN A 14 10.601 38.038 -4.905 1.00 20.42 H new ATOM 0 HD22 ASN A 14 12.326 38.281 -4.615 1.00 20.42 H new ATOM 197 N SER A 15 13.389 38.170 -0.098 1.00 3.22 N ATOM 198 CA SER A 15 13.500 39.549 0.363 1.00 0.22 C ATOM 199 C SER A 15 14.789 39.756 1.152 1.00 3.33 C ATOM 200 O SER A 15 15.663 38.888 1.177 1.00 13.44 O ATOM 201 CB SER A 15 12.294 39.918 1.229 1.00 11.11 C ATOM 202 OG SER A 15 11.097 39.387 0.689 1.00 75.52 O ATOM 0 H SER A 15 13.641 37.470 0.600 1.00 3.22 H new ATOM 0 HA SER A 15 13.522 40.198 -0.512 1.00 0.22 H new ATOM 0 HB2 SER A 15 12.439 39.539 2.241 1.00 11.11 H new ATOM 0 HB3 SER A 15 12.214 41.003 1.303 1.00 11.11 H new ATOM 0 HG SER A 15 10.341 39.635 1.261 1.00 75.52 H new ATOM 208 N THR A 16 14.902 40.914 1.797 1.00 71.42 N ATOM 209 CA THR A 16 16.084 41.237 2.586 1.00 14.10 C ATOM 210 C THR A 16 15.756 41.281 4.074 1.00 11.01 C ATOM 211 O THR A 16 14.606 41.492 4.461 1.00 44.40 O ATOM 212 CB THR A 16 16.687 42.590 2.165 1.00 43.22 C ATOM 213 OG1 THR A 16 17.667 43.009 3.122 1.00 61.44 O ATOM 214 CG2 THR A 16 15.604 43.652 2.043 1.00 24.41 C ATOM 0 H THR A 16 14.189 41.643 1.788 1.00 71.42 H new ATOM 0 HA THR A 16 16.814 40.449 2.400 1.00 14.10 H new ATOM 0 HB THR A 16 17.161 42.464 1.191 1.00 43.22 H new ATOM 0 HG1 THR A 16 18.448 42.419 3.071 1.00 61.44 H new ATOM 0 HG21 THR A 16 16.055 44.599 1.745 1.00 24.41 H new ATOM 0 HG22 THR A 16 14.876 43.344 1.293 1.00 24.41 H new ATOM 0 HG23 THR A 16 15.105 43.775 3.004 1.00 24.41 H new ATOM 222 N VAL A 17 16.773 41.081 4.906 1.00 64.43 N ATOM 223 CA VAL A 17 16.593 41.099 6.352 1.00 4.24 C ATOM 224 C VAL A 17 17.700 41.896 7.034 1.00 41.44 C ATOM 225 O VAL A 17 18.799 42.036 6.497 1.00 14.40 O ATOM 226 CB VAL A 17 16.571 39.673 6.934 1.00 71.04 C ATOM 227 CG1 VAL A 17 17.951 39.039 6.846 1.00 74.43 C ATOM 228 CG2 VAL A 17 16.074 39.692 8.371 1.00 23.23 C ATOM 0 H VAL A 17 17.731 40.905 4.603 1.00 64.43 H new ATOM 0 HA VAL A 17 15.632 41.577 6.544 1.00 4.24 H new ATOM 0 HB VAL A 17 15.882 39.069 6.344 1.00 71.04 H new ATOM 0 HG11 VAL A 17 17.916 38.032 7.262 1.00 74.43 H new ATOM 0 HG12 VAL A 17 18.263 38.990 5.803 1.00 74.43 H new ATOM 0 HG13 VAL A 17 18.664 39.640 7.410 1.00 74.43 H new ATOM 0 HG21 VAL A 17 16.065 38.676 8.766 1.00 23.23 H new ATOM 0 HG22 VAL A 17 16.736 40.311 8.977 1.00 23.23 H new ATOM 0 HG23 VAL A 17 15.065 40.102 8.401 1.00 23.23 H new ATOM 238 N ALA A 18 17.403 42.417 8.220 1.00 75.13 N ATOM 239 CA ALA A 18 18.373 43.198 8.976 1.00 0.32 C ATOM 240 C ALA A 18 19.453 42.303 9.574 1.00 60.35 C ATOM 241 O ALA A 18 19.341 41.077 9.550 1.00 60.21 O ATOM 242 CB ALA A 18 17.675 43.989 10.072 1.00 15.05 C ATOM 0 H ALA A 18 16.498 42.312 8.678 1.00 75.13 H new ATOM 0 HA ALA A 18 18.854 43.895 8.290 1.00 0.32 H new ATOM 0 HB1 ALA A 18 18.412 44.568 10.629 1.00 15.05 H new ATOM 0 HB2 ALA A 18 16.946 44.664 9.625 1.00 15.05 H new ATOM 0 HB3 ALA A 18 17.167 43.302 10.749 1.00 15.05 H new ATOM 248 N LYS A 19 20.500 42.922 10.108 1.00 12.23 N ATOM 249 CA LYS A 19 21.601 42.182 10.713 1.00 71.22 C ATOM 250 C LYS A 19 21.100 41.286 11.841 1.00 13.00 C ATOM 251 O LYS A 19 20.483 41.759 12.795 1.00 74.25 O ATOM 252 CB LYS A 19 22.660 43.149 11.247 1.00 20.32 C ATOM 253 CG LYS A 19 24.057 42.554 11.296 1.00 12.14 C ATOM 254 CD LYS A 19 24.249 41.682 12.526 1.00 74.12 C ATOM 255 CE LYS A 19 25.616 41.016 12.529 1.00 41.10 C ATOM 256 NZ LYS A 19 26.685 41.947 12.986 1.00 60.31 N ATOM 0 H LYS A 19 20.609 43.936 10.134 1.00 12.23 H new ATOM 0 HA LYS A 19 22.048 41.552 9.944 1.00 71.22 H new ATOM 0 HB2 LYS A 19 22.675 44.040 10.620 1.00 20.32 H new ATOM 0 HB3 LYS A 19 22.375 43.469 12.249 1.00 20.32 H new ATOM 0 HG2 LYS A 19 24.233 41.962 10.398 1.00 12.14 H new ATOM 0 HG3 LYS A 19 24.795 43.356 11.299 1.00 12.14 H new ATOM 0 HD2 LYS A 19 24.137 42.289 13.425 1.00 74.12 H new ATOM 0 HD3 LYS A 19 23.471 40.919 12.557 1.00 74.12 H new ATOM 0 HE2 LYS A 19 25.593 40.142 13.180 1.00 41.10 H new ATOM 0 HE3 LYS A 19 25.849 40.660 11.525 1.00 41.10 H new ATOM 0 HZ1 LYS A 19 27.602 41.456 12.974 1.00 60.31 H new ATOM 0 HZ2 LYS A 19 26.724 42.769 12.350 1.00 60.31 H new ATOM 0 HZ3 LYS A 19 26.476 42.267 13.953 1.00 60.31 H new ATOM 270 N GLY A 20 21.371 39.989 11.726 1.00 13.32 N ATOM 271 CA GLY A 20 20.941 39.049 12.744 1.00 20.43 C ATOM 272 C GLY A 20 19.437 38.862 12.764 1.00 51.24 C ATOM 273 O GLY A 20 18.705 39.709 13.278 1.00 23.04 O ATOM 0 H GLY A 20 21.880 39.573 10.946 1.00 13.32 H new ATOM 0 HA2 GLY A 20 21.421 38.086 12.571 1.00 20.43 H new ATOM 0 HA3 GLY A 20 21.273 39.400 13.721 1.00 20.43 H new ATOM 277 N LEU A 21 18.973 37.752 12.200 1.00 13.32 N ATOM 278 CA LEU A 21 17.545 37.458 12.153 1.00 32.31 C ATOM 279 C LEU A 21 17.300 36.020 11.707 1.00 31.43 C ATOM 280 O LEU A 21 18.242 35.254 11.505 1.00 40.35 O ATOM 281 CB LEU A 21 16.835 38.426 11.204 1.00 23.55 C ATOM 282 CG LEU A 21 15.837 39.388 11.850 1.00 64.50 C ATOM 283 CD1 LEU A 21 16.260 40.830 11.618 1.00 30.12 C ATOM 284 CD2 LEU A 21 14.436 39.146 11.307 1.00 45.42 C ATOM 0 H LEU A 21 19.564 37.041 11.769 1.00 13.32 H new ATOM 0 HA LEU A 21 17.141 37.582 13.158 1.00 32.31 H new ATOM 0 HB2 LEU A 21 17.591 39.014 10.684 1.00 23.55 H new ATOM 0 HB3 LEU A 21 16.310 37.842 10.448 1.00 23.55 H new ATOM 0 HG LEU A 21 15.825 39.203 12.924 1.00 64.50 H new ATOM 0 HD11 LEU A 21 15.538 41.500 12.085 1.00 30.12 H new ATOM 0 HD12 LEU A 21 17.245 40.995 12.056 1.00 30.12 H new ATOM 0 HD13 LEU A 21 16.301 41.029 10.547 1.00 30.12 H new ATOM 0 HD21 LEU A 21 13.739 39.839 11.778 1.00 45.42 H new ATOM 0 HD22 LEU A 21 14.432 39.303 10.228 1.00 45.42 H new ATOM 0 HD23 LEU A 21 14.133 38.122 11.526 1.00 45.42 H new ATOM 296 N GLN A 22 16.029 35.661 11.555 1.00 22.01 N ATOM 297 CA GLN A 22 15.661 34.315 11.132 1.00 43.15 C ATOM 298 C GLN A 22 14.351 34.329 10.351 1.00 0.02 C ATOM 299 O GLN A 22 13.514 35.211 10.542 1.00 63.22 O ATOM 300 CB GLN A 22 15.536 33.392 12.345 1.00 42.10 C ATOM 301 CG GLN A 22 14.769 34.010 13.503 1.00 72.13 C ATOM 302 CD GLN A 22 14.754 33.124 14.732 1.00 25.55 C ATOM 303 OE1 GLN A 22 13.701 32.870 15.317 1.00 73.34 O ATOM 304 NE2 GLN A 22 15.927 32.647 15.133 1.00 65.24 N ATOM 0 H GLN A 22 15.237 36.283 11.718 1.00 22.01 H new ATOM 0 HA GLN A 22 16.448 33.939 10.479 1.00 43.15 H new ATOM 0 HB2 GLN A 22 15.038 32.471 12.041 1.00 42.10 H new ATOM 0 HB3 GLN A 22 16.534 33.117 12.686 1.00 42.10 H new ATOM 0 HG2 GLN A 22 15.216 34.971 13.758 1.00 72.13 H new ATOM 0 HG3 GLN A 22 13.744 34.208 13.190 1.00 72.13 H new ATOM 0 HE21 GLN A 22 16.776 32.882 14.619 1.00 65.24 H new ATOM 0 HE22 GLN A 22 15.979 32.045 15.955 1.00 65.24 H new ATOM 313 N GLU A 23 14.181 33.346 9.472 1.00 11.32 N ATOM 314 CA GLU A 23 12.972 33.247 8.662 1.00 3.54 C ATOM 315 C GLU A 23 12.364 31.851 8.761 1.00 11.51 C ATOM 316 O GLU A 23 13.080 30.857 8.868 1.00 2.14 O ATOM 317 CB GLU A 23 13.282 33.578 7.201 1.00 3.51 C ATOM 318 CG GLU A 23 12.509 34.774 6.671 1.00 43.24 C ATOM 319 CD GLU A 23 11.014 34.528 6.623 1.00 32.41 C ATOM 320 OE1 GLU A 23 10.596 33.526 6.005 1.00 4.14 O ATOM 321 OE2 GLU A 23 10.261 35.337 7.205 1.00 41.04 O ATOM 0 H GLU A 23 14.864 32.608 9.303 1.00 11.32 H new ATOM 0 HA GLU A 23 12.249 33.967 9.044 1.00 3.54 H new ATOM 0 HB2 GLU A 23 14.350 33.772 7.100 1.00 3.51 H new ATOM 0 HB3 GLU A 23 13.057 32.708 6.584 1.00 3.51 H new ATOM 0 HG2 GLU A 23 12.711 35.640 7.301 1.00 43.24 H new ATOM 0 HG3 GLU A 23 12.866 35.018 5.670 1.00 43.24 H new ATOM 328 N ASN A 24 11.037 31.787 8.724 1.00 31.24 N ATOM 329 CA ASN A 24 10.331 30.513 8.811 1.00 41.42 C ATOM 330 C ASN A 24 9.862 30.057 7.433 1.00 54.12 C ATOM 331 O ASN A 24 9.399 30.862 6.624 1.00 0.44 O ATOM 332 CB ASN A 24 9.134 30.633 9.756 1.00 51.30 C ATOM 333 CG ASN A 24 9.390 31.603 10.894 1.00 63.43 C ATOM 334 OD1 ASN A 24 8.873 32.720 10.900 1.00 25.04 O ATOM 335 ND2 ASN A 24 10.192 31.178 11.863 1.00 23.12 N ATOM 0 H ASN A 24 10.429 32.601 8.634 1.00 31.24 H new ATOM 0 HA ASN A 24 11.023 29.768 9.205 1.00 41.42 H new ATOM 0 HB2 ASN A 24 8.261 30.961 9.192 1.00 51.30 H new ATOM 0 HB3 ASN A 24 8.898 29.651 10.166 1.00 51.30 H new ATOM 0 HD21 ASN A 24 10.402 31.786 12.655 1.00 23.12 H new ATOM 0 HD22 ASN A 24 10.598 30.244 11.816 1.00 23.12 H new ATOM 342 N PHE A 25 9.983 28.760 7.172 1.00 63.21 N ATOM 343 CA PHE A 25 9.572 28.195 5.892 1.00 50.53 C ATOM 344 C PHE A 25 8.622 27.019 6.096 1.00 22.20 C ATOM 345 O PHE A 25 8.726 26.285 7.079 1.00 10.45 O ATOM 346 CB PHE A 25 10.796 27.744 5.092 1.00 1.51 C ATOM 347 CG PHE A 25 10.451 26.961 3.858 1.00 33.01 C ATOM 348 CD1 PHE A 25 9.995 27.604 2.718 1.00 22.43 C ATOM 349 CD2 PHE A 25 10.581 25.582 3.838 1.00 30.32 C ATOM 350 CE1 PHE A 25 9.677 26.886 1.581 1.00 72.31 C ATOM 351 CE2 PHE A 25 10.265 24.859 2.704 1.00 74.43 C ATOM 352 CZ PHE A 25 9.811 25.511 1.574 1.00 13.11 C ATOM 0 H PHE A 25 10.363 28.080 7.830 1.00 63.21 H new ATOM 0 HA PHE A 25 9.047 28.970 5.333 1.00 50.53 H new ATOM 0 HB2 PHE A 25 11.376 28.621 4.805 1.00 1.51 H new ATOM 0 HB3 PHE A 25 11.434 27.135 5.732 1.00 1.51 H new ATOM 0 HD1 PHE A 25 9.887 28.679 2.718 1.00 22.43 H new ATOM 0 HD2 PHE A 25 10.933 25.066 4.719 1.00 30.32 H new ATOM 0 HE1 PHE A 25 9.324 27.399 0.699 1.00 72.31 H new ATOM 0 HE2 PHE A 25 10.373 23.784 2.701 1.00 74.43 H new ATOM 0 HZ PHE A 25 9.561 24.947 0.687 1.00 13.11 H new ATOM 362 N LYS A 26 7.695 26.845 5.160 1.00 64.11 N ATOM 363 CA LYS A 26 6.726 25.758 5.234 1.00 3.15 C ATOM 364 C LYS A 26 6.653 25.003 3.911 1.00 23.54 C ATOM 365 O LYS A 26 6.668 25.607 2.839 1.00 21.44 O ATOM 366 CB LYS A 26 5.344 26.304 5.599 1.00 30.03 C ATOM 367 CG LYS A 26 4.379 25.238 6.088 1.00 74.00 C ATOM 368 CD LYS A 26 4.238 25.264 7.601 1.00 64.02 C ATOM 369 CE LYS A 26 4.106 23.861 8.172 1.00 20.35 C ATOM 370 NZ LYS A 26 3.161 23.817 9.322 1.00 13.23 N ATOM 0 H LYS A 26 7.594 27.444 4.340 1.00 64.11 H new ATOM 0 HA LYS A 26 7.053 25.065 6.009 1.00 3.15 H new ATOM 0 HB2 LYS A 26 5.455 27.064 6.373 1.00 30.03 H new ATOM 0 HB3 LYS A 26 4.916 26.798 4.727 1.00 30.03 H new ATOM 0 HG2 LYS A 26 3.403 25.391 5.628 1.00 74.00 H new ATOM 0 HG3 LYS A 26 4.730 24.256 5.771 1.00 74.00 H new ATOM 0 HD2 LYS A 26 5.106 25.757 8.040 1.00 64.02 H new ATOM 0 HD3 LYS A 26 3.364 25.854 7.876 1.00 64.02 H new ATOM 0 HE2 LYS A 26 3.761 23.182 7.392 1.00 20.35 H new ATOM 0 HE3 LYS A 26 5.085 23.506 8.493 1.00 20.35 H new ATOM 0 HZ1 LYS A 26 3.099 22.844 9.683 1.00 13.23 H new ATOM 0 HZ2 LYS A 26 3.503 24.445 10.077 1.00 13.23 H new ATOM 0 HZ3 LYS A 26 2.220 24.132 9.010 1.00 13.23 H new ATOM 384 N ALA A 27 6.573 23.679 3.995 1.00 71.41 N ATOM 385 CA ALA A 27 6.494 22.841 2.804 1.00 12.53 C ATOM 386 C ALA A 27 5.481 21.717 2.990 1.00 22.44 C ATOM 387 O ALA A 27 5.462 21.049 4.025 1.00 71.30 O ATOM 388 CB ALA A 27 7.864 22.271 2.468 1.00 33.23 C ATOM 0 H ALA A 27 6.561 23.163 4.875 1.00 71.41 H new ATOM 0 HA ALA A 27 6.158 23.462 1.974 1.00 12.53 H new ATOM 0 HB1 ALA A 27 7.790 21.648 1.577 1.00 33.23 H new ATOM 0 HB2 ALA A 27 8.562 23.087 2.283 1.00 33.23 H new ATOM 0 HB3 ALA A 27 8.223 21.669 3.303 1.00 33.23 H new ATOM 394 N THR A 28 4.639 21.511 1.982 1.00 3.51 N ATOM 395 CA THR A 28 3.622 20.469 2.035 1.00 25.35 C ATOM 396 C THR A 28 3.829 19.442 0.928 1.00 24.10 C ATOM 397 O THR A 28 3.610 19.730 -0.248 1.00 23.12 O ATOM 398 CB THR A 28 2.205 21.059 1.914 1.00 1.50 C ATOM 399 OG1 THR A 28 2.165 22.362 2.507 1.00 50.44 O ATOM 400 CG2 THR A 28 1.183 20.158 2.590 1.00 63.31 C ATOM 0 H THR A 28 4.642 22.053 1.118 1.00 3.51 H new ATOM 0 HA THR A 28 3.722 19.980 3.004 1.00 25.35 H new ATOM 0 HB THR A 28 1.956 21.133 0.855 1.00 1.50 H new ATOM 0 HG1 THR A 28 1.261 22.731 2.425 1.00 50.44 H new ATOM 0 HG21 THR A 28 0.190 20.596 2.491 1.00 63.31 H new ATOM 0 HG22 THR A 28 1.195 19.176 2.118 1.00 63.31 H new ATOM 0 HG23 THR A 28 1.431 20.056 3.647 1.00 63.31 H new ATOM 408 N GLY A 29 4.252 18.241 1.312 1.00 45.11 N ATOM 409 CA GLY A 29 4.481 17.189 0.339 1.00 42.23 C ATOM 410 C GLY A 29 3.211 16.441 -0.015 1.00 65.41 C ATOM 411 O GLY A 29 2.422 16.095 0.864 1.00 34.11 O ATOM 0 H GLY A 29 4.440 17.978 2.279 1.00 45.11 H new ATOM 0 HA2 GLY A 29 4.908 17.622 -0.566 1.00 42.23 H new ATOM 0 HA3 GLY A 29 5.215 16.486 0.734 1.00 42.23 H new ATOM 415 N ILE A 30 3.014 16.191 -1.305 1.00 54.01 N ATOM 416 CA ILE A 30 1.830 15.479 -1.772 1.00 45.42 C ATOM 417 C ILE A 30 2.192 14.089 -2.284 1.00 54.12 C ATOM 418 O ILE A 30 3.244 13.894 -2.893 1.00 31.22 O ATOM 419 CB ILE A 30 1.112 16.256 -2.892 1.00 31.34 C ATOM 420 CG1 ILE A 30 0.644 17.619 -2.377 1.00 72.45 C ATOM 421 CG2 ILE A 30 -0.065 15.451 -3.423 1.00 0.21 C ATOM 422 CD1 ILE A 30 1.678 18.711 -2.534 1.00 41.31 C ATOM 0 H ILE A 30 3.658 16.470 -2.045 1.00 54.01 H new ATOM 0 HA ILE A 30 1.159 15.386 -0.918 1.00 45.42 H new ATOM 0 HB ILE A 30 1.814 16.419 -3.710 1.00 31.34 H new ATOM 0 HG12 ILE A 30 -0.262 17.908 -2.910 1.00 72.45 H new ATOM 0 HG13 ILE A 30 0.379 17.529 -1.323 1.00 72.45 H new ATOM 0 HG21 ILE A 30 -0.563 16.012 -4.214 1.00 0.21 H new ATOM 0 HG22 ILE A 30 0.294 14.502 -3.822 1.00 0.21 H new ATOM 0 HG23 ILE A 30 -0.770 15.261 -2.614 1.00 0.21 H new ATOM 0 HD11 ILE A 30 1.278 19.649 -2.148 1.00 41.31 H new ATOM 0 HD12 ILE A 30 2.577 18.444 -1.978 1.00 41.31 H new ATOM 0 HD13 ILE A 30 1.925 18.829 -3.589 1.00 41.31 H new ATOM 434 N PHE A 31 1.311 13.126 -2.035 1.00 31.41 N ATOM 435 CA PHE A 31 1.536 11.752 -2.471 1.00 41.54 C ATOM 436 C PHE A 31 0.481 11.325 -3.488 1.00 3.02 C ATOM 437 O PHE A 31 -0.584 11.934 -3.589 1.00 12.24 O ATOM 438 CB PHE A 31 1.518 10.804 -1.271 1.00 32.11 C ATOM 439 CG PHE A 31 2.771 10.859 -0.444 1.00 55.12 C ATOM 440 CD1 PHE A 31 4.017 10.798 -1.046 1.00 70.33 C ATOM 441 CD2 PHE A 31 2.702 10.973 0.935 1.00 72.11 C ATOM 442 CE1 PHE A 31 5.171 10.847 -0.288 1.00 1.43 C ATOM 443 CE2 PHE A 31 3.853 11.024 1.699 1.00 73.42 C ATOM 444 CZ PHE A 31 5.089 10.962 1.086 1.00 30.23 C ATOM 0 H PHE A 31 0.435 13.271 -1.534 1.00 31.41 H new ATOM 0 HA PHE A 31 2.515 11.704 -2.948 1.00 41.54 H new ATOM 0 HB2 PHE A 31 0.664 11.047 -0.639 1.00 32.11 H new ATOM 0 HB3 PHE A 31 1.371 9.784 -1.626 1.00 32.11 H new ATOM 0 HD1 PHE A 31 4.087 10.711 -2.120 1.00 70.33 H new ATOM 0 HD2 PHE A 31 1.738 11.023 1.419 1.00 72.11 H new ATOM 0 HE1 PHE A 31 6.136 10.795 -0.769 1.00 1.43 H new ATOM 0 HE2 PHE A 31 3.786 11.112 2.773 1.00 73.42 H new ATOM 0 HZ PHE A 31 5.990 11.003 1.680 1.00 30.23 H new ATOM 454 N THR A 32 0.786 10.273 -4.241 1.00 60.30 N ATOM 455 CA THR A 32 -0.133 9.764 -5.251 1.00 32.21 C ATOM 456 C THR A 32 -1.372 9.151 -4.608 1.00 30.11 C ATOM 457 O THR A 32 -2.365 8.881 -5.284 1.00 1.10 O ATOM 458 CB THR A 32 0.543 8.707 -6.145 1.00 1.41 C ATOM 459 OG1 THR A 32 1.774 9.221 -6.665 1.00 5.33 O ATOM 460 CG2 THR A 32 -0.370 8.306 -7.294 1.00 22.14 C ATOM 0 H THR A 32 1.663 9.757 -4.170 1.00 60.30 H new ATOM 0 HA THR A 32 -0.428 10.614 -5.866 1.00 32.21 H new ATOM 0 HB THR A 32 0.745 7.825 -5.538 1.00 1.41 H new ATOM 0 HG1 THR A 32 2.402 9.374 -5.928 1.00 5.33 H new ATOM 0 HG21 THR A 32 0.129 7.559 -7.911 1.00 22.14 H new ATOM 0 HG22 THR A 32 -1.295 7.889 -6.895 1.00 22.14 H new ATOM 0 HG23 THR A 32 -0.599 9.183 -7.900 1.00 22.14 H new ATOM 468 N ASP A 33 -1.307 8.934 -3.299 1.00 15.21 N ATOM 469 CA ASP A 33 -2.426 8.354 -2.564 1.00 4.41 C ATOM 470 C ASP A 33 -3.389 9.440 -2.094 1.00 43.33 C ATOM 471 O ASP A 33 -4.240 9.201 -1.240 1.00 34.34 O ATOM 472 CB ASP A 33 -1.915 7.554 -1.364 1.00 52.53 C ATOM 473 CG ASP A 33 -2.922 6.528 -0.882 1.00 44.32 C ATOM 474 OD1 ASP A 33 -3.839 6.187 -1.658 1.00 33.14 O ATOM 475 OD2 ASP A 33 -2.791 6.066 0.270 1.00 30.13 O ATOM 0 H ASP A 33 -0.492 9.151 -2.725 1.00 15.21 H new ATOM 0 HA ASP A 33 -2.962 7.684 -3.236 1.00 4.41 H new ATOM 0 HB2 ASP A 33 -0.988 7.049 -1.636 1.00 52.53 H new ATOM 0 HB3 ASP A 33 -1.679 8.238 -0.549 1.00 52.53 H new ATOM 480 N ASN A 34 -3.246 10.635 -2.659 1.00 11.13 N ATOM 481 CA ASN A 34 -4.102 11.759 -2.296 1.00 75.45 C ATOM 482 C ASN A 34 -3.889 12.158 -0.839 1.00 70.45 C ATOM 483 O ASN A 34 -4.688 12.896 -0.264 1.00 40.41 O ATOM 484 CB ASN A 34 -5.572 11.402 -2.529 1.00 51.54 C ATOM 485 CG ASN A 34 -5.759 10.458 -3.701 1.00 55.10 C ATOM 486 OD1 ASN A 34 -5.416 10.785 -4.837 1.00 55.13 O ATOM 487 ND2 ASN A 34 -6.307 9.279 -3.429 1.00 4.12 N ATOM 0 H ASN A 34 -2.546 10.850 -3.369 1.00 11.13 H new ATOM 0 HA ASN A 34 -3.835 12.606 -2.928 1.00 75.45 H new ATOM 0 HB2 ASN A 34 -5.979 10.943 -1.628 1.00 51.54 H new ATOM 0 HB3 ASN A 34 -6.141 12.315 -2.707 1.00 51.54 H new ATOM 0 HD21 ASN A 34 -6.459 8.602 -4.177 1.00 4.12 H new ATOM 0 HD22 ASN A 34 -6.576 9.050 -2.472 1.00 4.12 H new ATOM 494 N SER A 35 -2.805 11.664 -0.249 1.00 74.20 N ATOM 495 CA SER A 35 -2.488 11.966 1.142 1.00 61.12 C ATOM 496 C SER A 35 -1.273 12.885 1.235 1.00 74.44 C ATOM 497 O SER A 35 -0.145 12.467 0.979 1.00 41.13 O ATOM 498 CB SER A 35 -2.225 10.675 1.919 1.00 35.42 C ATOM 499 OG SER A 35 -3.242 10.441 2.878 1.00 34.00 O ATOM 0 H SER A 35 -2.132 11.053 -0.712 1.00 74.20 H new ATOM 0 HA SER A 35 -3.344 12.478 1.581 1.00 61.12 H new ATOM 0 HB2 SER A 35 -2.173 9.834 1.227 1.00 35.42 H new ATOM 0 HB3 SER A 35 -1.258 10.738 2.418 1.00 35.42 H new ATOM 0 HG SER A 35 -3.052 9.609 3.360 1.00 34.00 H new ATOM 505 N ASN A 36 -1.515 14.139 1.603 1.00 63.33 N ATOM 506 CA ASN A 36 -0.441 15.118 1.729 1.00 15.12 C ATOM 507 C ASN A 36 0.097 15.154 3.156 1.00 14.23 C ATOM 508 O ASN A 36 -0.663 15.053 4.120 1.00 62.22 O ATOM 509 CB ASN A 36 -0.940 16.507 1.325 1.00 70.12 C ATOM 510 CG ASN A 36 -1.982 16.449 0.225 1.00 54.42 C ATOM 511 OD1 ASN A 36 -3.038 17.076 0.321 1.00 21.43 O ATOM 512 ND2 ASN A 36 -1.690 15.695 -0.828 1.00 41.23 N ATOM 0 H ASN A 36 -2.444 14.501 1.819 1.00 63.33 H new ATOM 0 HA ASN A 36 0.368 14.821 1.062 1.00 15.12 H new ATOM 0 HB2 ASN A 36 -1.363 17.006 2.197 1.00 70.12 H new ATOM 0 HB3 ASN A 36 -0.096 17.110 0.991 1.00 70.12 H new ATOM 0 HD21 ASN A 36 -2.353 15.618 -1.600 1.00 41.23 H new ATOM 0 HD22 ASN A 36 -0.803 15.193 -0.865 1.00 41.23 H new ATOM 519 N SER A 37 1.412 15.300 3.284 1.00 53.04 N ATOM 520 CA SER A 37 2.052 15.346 4.593 1.00 44.53 C ATOM 521 C SER A 37 3.093 16.461 4.649 1.00 71.11 C ATOM 522 O SER A 37 3.513 16.986 3.617 1.00 33.15 O ATOM 523 CB SER A 37 2.711 14.002 4.910 1.00 54.32 C ATOM 524 OG SER A 37 1.739 13.021 5.228 1.00 52.20 O ATOM 0 H SER A 37 2.055 15.388 2.497 1.00 53.04 H new ATOM 0 HA SER A 37 1.284 15.551 5.339 1.00 44.53 H new ATOM 0 HB2 SER A 37 3.300 13.671 4.055 1.00 54.32 H new ATOM 0 HB3 SER A 37 3.401 14.120 5.746 1.00 54.32 H new ATOM 0 HG SER A 37 2.185 12.171 5.425 1.00 52.20 H new ATOM 530 N ASP A 38 3.504 16.817 5.861 1.00 64.41 N ATOM 531 CA ASP A 38 4.497 17.868 6.054 1.00 73.25 C ATOM 532 C ASP A 38 5.910 17.294 6.020 1.00 53.01 C ATOM 533 O ASP A 38 6.205 16.307 6.694 1.00 5.02 O ATOM 534 CB ASP A 38 4.257 18.588 7.381 1.00 33.14 C ATOM 535 CG ASP A 38 4.465 17.680 8.578 1.00 53.41 C ATOM 536 OD1 ASP A 38 4.301 16.452 8.426 1.00 15.00 O ATOM 537 OD2 ASP A 38 4.791 18.199 9.667 1.00 72.24 O ATOM 0 H ASP A 38 3.165 16.393 6.725 1.00 64.41 H new ATOM 0 HA ASP A 38 4.396 18.584 5.238 1.00 73.25 H new ATOM 0 HB2 ASP A 38 4.931 19.442 7.455 1.00 33.14 H new ATOM 0 HB3 ASP A 38 3.241 18.981 7.399 1.00 33.14 H new ATOM 542 N ILE A 39 6.777 17.918 5.230 1.00 25.05 N ATOM 543 CA ILE A 39 8.159 17.469 5.109 1.00 11.13 C ATOM 544 C ILE A 39 8.257 15.953 5.236 1.00 24.33 C ATOM 545 O ILE A 39 9.102 15.433 5.966 1.00 64.41 O ATOM 546 CB ILE A 39 9.059 18.122 6.175 1.00 35.25 C ATOM 547 CG1 ILE A 39 8.586 17.736 7.579 1.00 54.34 C ATOM 548 CG2 ILE A 39 9.065 19.634 6.010 1.00 54.14 C ATOM 549 CD1 ILE A 39 7.555 18.684 8.151 1.00 40.33 C ATOM 0 H ILE A 39 6.547 18.735 4.665 1.00 25.05 H new ATOM 0 HA ILE A 39 8.504 17.772 4.120 1.00 11.13 H new ATOM 0 HB ILE A 39 10.078 17.758 6.042 1.00 35.25 H new ATOM 0 HG12 ILE A 39 8.166 16.731 7.549 1.00 54.34 H new ATOM 0 HG13 ILE A 39 9.447 17.702 8.247 1.00 54.34 H new ATOM 0 HG21 ILE A 39 9.705 20.080 6.771 1.00 54.14 H new ATOM 0 HG22 ILE A 39 9.444 19.891 5.021 1.00 54.14 H new ATOM 0 HG23 ILE A 39 8.050 20.016 6.120 1.00 54.14 H new ATOM 0 HD11 ILE A 39 7.266 18.349 9.147 1.00 40.33 H new ATOM 0 HD12 ILE A 39 7.978 19.687 8.214 1.00 40.33 H new ATOM 0 HD13 ILE A 39 6.677 18.700 7.505 1.00 40.33 H new ATOM 561 N THR A 40 7.388 15.246 4.520 1.00 45.54 N ATOM 562 CA THR A 40 7.377 13.789 4.551 1.00 43.50 C ATOM 563 C THR A 40 8.654 13.217 3.945 1.00 34.34 C ATOM 564 O THR A 40 9.190 12.220 4.431 1.00 55.31 O ATOM 565 CB THR A 40 6.163 13.221 3.793 1.00 31.53 C ATOM 566 OG1 THR A 40 6.190 11.789 3.829 1.00 14.34 O ATOM 567 CG2 THR A 40 6.155 13.696 2.348 1.00 10.45 C ATOM 0 H THR A 40 6.682 15.660 3.911 1.00 45.54 H new ATOM 0 HA THR A 40 7.312 13.495 5.599 1.00 43.50 H new ATOM 0 HB THR A 40 5.257 13.581 4.281 1.00 31.53 H new ATOM 0 HG1 THR A 40 5.514 11.434 3.215 1.00 14.34 H new ATOM 0 HG21 THR A 40 5.288 13.281 1.834 1.00 10.45 H new ATOM 0 HG22 THR A 40 6.105 14.785 2.323 1.00 10.45 H new ATOM 0 HG23 THR A 40 7.066 13.363 1.850 1.00 10.45 H new ATOM 575 N ASP A 41 9.136 13.853 2.884 1.00 61.45 N ATOM 576 CA ASP A 41 10.352 13.407 2.212 1.00 34.14 C ATOM 577 C ASP A 41 11.584 14.063 2.827 1.00 12.14 C ATOM 578 O ASP A 41 12.698 13.901 2.330 1.00 53.31 O ATOM 579 CB ASP A 41 10.281 13.726 0.718 1.00 31.22 C ATOM 580 CG ASP A 41 10.040 12.490 -0.127 1.00 5.23 C ATOM 581 OD1 ASP A 41 11.024 11.793 -0.450 1.00 62.33 O ATOM 582 OD2 ASP A 41 8.869 12.221 -0.465 1.00 54.22 O ATOM 0 H ASP A 41 8.704 14.679 2.470 1.00 61.45 H new ATOM 0 HA ASP A 41 10.434 12.328 2.341 1.00 34.14 H new ATOM 0 HB2 ASP A 41 9.482 14.445 0.541 1.00 31.22 H new ATOM 0 HB3 ASP A 41 11.212 14.200 0.406 1.00 31.22 H new ATOM 587 N GLN A 42 11.375 14.804 3.911 1.00 53.33 N ATOM 588 CA GLN A 42 12.469 15.486 4.592 1.00 53.31 C ATOM 589 C GLN A 42 13.175 16.457 3.651 1.00 14.33 C ATOM 590 O GLN A 42 14.290 16.200 3.199 1.00 22.50 O ATOM 591 CB GLN A 42 13.471 14.468 5.139 1.00 53.02 C ATOM 592 CG GLN A 42 13.259 14.134 6.607 1.00 71.04 C ATOM 593 CD GLN A 42 11.792 14.060 6.983 1.00 42.44 C ATOM 594 OE1 GLN A 42 11.123 13.059 6.726 1.00 21.02 O ATOM 595 NE2 GLN A 42 11.284 15.124 7.594 1.00 34.45 N ATOM 0 H GLN A 42 10.459 14.947 4.336 1.00 53.33 H new ATOM 0 HA GLN A 42 12.049 16.054 5.422 1.00 53.31 H new ATOM 0 HB2 GLN A 42 13.402 13.552 4.553 1.00 53.02 H new ATOM 0 HB3 GLN A 42 14.481 14.857 5.005 1.00 53.02 H new ATOM 0 HG2 GLN A 42 13.736 13.180 6.831 1.00 71.04 H new ATOM 0 HG3 GLN A 42 13.750 14.888 7.222 1.00 71.04 H new ATOM 0 HE21 GLN A 42 11.876 15.932 7.787 1.00 34.45 H new ATOM 0 HE22 GLN A 42 10.302 15.133 7.870 1.00 34.45 H new ATOM 604 N VAL A 43 12.517 17.575 3.360 1.00 11.20 N ATOM 605 CA VAL A 43 13.082 18.586 2.474 1.00 73.45 C ATOM 606 C VAL A 43 14.480 18.993 2.925 1.00 72.03 C ATOM 607 O VAL A 43 14.668 19.480 4.040 1.00 14.02 O ATOM 608 CB VAL A 43 12.189 19.839 2.410 1.00 11.15 C ATOM 609 CG1 VAL A 43 11.936 20.386 3.807 1.00 21.33 C ATOM 610 CG2 VAL A 43 12.821 20.899 1.521 1.00 61.33 C ATOM 0 H VAL A 43 11.592 17.803 3.725 1.00 11.20 H new ATOM 0 HA VAL A 43 13.140 18.140 1.481 1.00 73.45 H new ATOM 0 HB VAL A 43 11.230 19.558 1.976 1.00 11.15 H new ATOM 0 HG11 VAL A 43 11.303 21.271 3.742 1.00 21.33 H new ATOM 0 HG12 VAL A 43 11.438 19.627 4.410 1.00 21.33 H new ATOM 0 HG13 VAL A 43 12.886 20.652 4.271 1.00 21.33 H new ATOM 0 HG21 VAL A 43 12.176 21.777 1.487 1.00 61.33 H new ATOM 0 HG22 VAL A 43 13.794 21.179 1.924 1.00 61.33 H new ATOM 0 HG23 VAL A 43 12.946 20.502 0.514 1.00 61.33 H new ATOM 620 N THR A 44 15.460 18.791 2.050 1.00 24.00 N ATOM 621 CA THR A 44 16.842 19.136 2.358 1.00 44.41 C ATOM 622 C THR A 44 17.064 20.642 2.276 1.00 41.34 C ATOM 623 O THR A 44 16.744 21.272 1.267 1.00 20.14 O ATOM 624 CB THR A 44 17.824 18.431 1.403 1.00 52.53 C ATOM 625 OG1 THR A 44 17.241 17.221 0.907 1.00 10.01 O ATOM 626 CG2 THR A 44 19.134 18.117 2.108 1.00 4.43 C ATOM 0 H THR A 44 15.322 18.390 1.122 1.00 24.00 H new ATOM 0 HA THR A 44 17.032 18.798 3.377 1.00 44.41 H new ATOM 0 HB THR A 44 18.031 19.102 0.570 1.00 52.53 H new ATOM 0 HG1 THR A 44 17.871 16.780 0.299 1.00 10.01 H new ATOM 0 HG21 THR A 44 19.811 17.620 1.413 1.00 4.43 H new ATOM 0 HG22 THR A 44 19.590 19.043 2.458 1.00 4.43 H new ATOM 0 HG23 THR A 44 18.942 17.463 2.958 1.00 4.43 H new ATOM 634 N TRP A 45 17.614 21.213 3.341 1.00 11.50 N ATOM 635 CA TRP A 45 17.879 22.647 3.388 1.00 21.01 C ATOM 636 C TRP A 45 19.346 22.939 3.093 1.00 1.11 C ATOM 637 O TRP A 45 20.231 22.175 3.480 1.00 53.21 O ATOM 638 CB TRP A 45 17.499 23.212 4.758 1.00 62.12 C ATOM 639 CG TRP A 45 18.064 22.426 5.902 1.00 21.11 C ATOM 640 CD1 TRP A 45 17.445 21.423 6.592 1.00 1.12 C ATOM 641 CD2 TRP A 45 19.361 22.579 6.490 1.00 55.41 C ATOM 642 NE1 TRP A 45 18.279 20.944 7.574 1.00 72.11 N ATOM 643 CE2 TRP A 45 19.460 21.636 7.531 1.00 0.03 C ATOM 644 CE3 TRP A 45 20.448 23.420 6.237 1.00 54.22 C ATOM 645 CZ2 TRP A 45 20.603 21.513 8.317 1.00 13.34 C ATOM 646 CZ3 TRP A 45 21.581 23.297 7.018 1.00 13.41 C ATOM 647 CH2 TRP A 45 21.652 22.349 8.048 1.00 52.45 C ATOM 0 H TRP A 45 17.885 20.706 4.183 1.00 11.50 H new ATOM 0 HA TRP A 45 17.271 23.129 2.623 1.00 21.01 H new ATOM 0 HB2 TRP A 45 17.847 24.243 4.827 1.00 62.12 H new ATOM 0 HB3 TRP A 45 16.413 23.236 4.844 1.00 62.12 H new ATOM 0 HD1 TRP A 45 16.447 21.060 6.395 1.00 1.12 H new ATOM 0 HE1 TRP A 45 18.055 20.195 8.229 1.00 72.11 H new ATOM 0 HE3 TRP A 45 20.403 24.153 5.445 1.00 54.22 H new ATOM 0 HZ2 TRP A 45 20.659 20.783 9.111 1.00 13.34 H new ATOM 0 HZ3 TRP A 45 22.427 23.942 6.832 1.00 13.41 H new ATOM 0 HH2 TRP A 45 22.552 22.277 8.641 1.00 52.45 H new ATOM 658 N ASP A 46 19.597 24.048 2.407 1.00 45.34 N ATOM 659 CA ASP A 46 20.959 24.442 2.061 1.00 35.30 C ATOM 660 C ASP A 46 21.066 25.957 1.918 1.00 65.31 C ATOM 661 O ASP A 46 20.144 26.611 1.432 1.00 3.50 O ATOM 662 CB ASP A 46 21.394 23.762 0.762 1.00 25.12 C ATOM 663 CG ASP A 46 22.868 23.405 0.762 1.00 71.02 C ATOM 664 OD1 ASP A 46 23.293 22.640 1.653 1.00 51.24 O ATOM 665 OD2 ASP A 46 23.596 23.891 -0.129 1.00 3.22 O ATOM 0 H ASP A 46 18.876 24.691 2.079 1.00 45.34 H new ATOM 0 HA ASP A 46 21.620 24.124 2.867 1.00 35.30 H new ATOM 0 HB2 ASP A 46 20.804 22.858 0.613 1.00 25.12 H new ATOM 0 HB3 ASP A 46 21.183 24.422 -0.079 1.00 25.12 H new ATOM 670 N SER A 47 22.198 26.507 2.345 1.00 4.21 N ATOM 671 CA SER A 47 22.425 27.946 2.269 1.00 21.31 C ATOM 672 C SER A 47 23.755 28.251 1.587 1.00 24.33 C ATOM 673 O SER A 47 24.718 27.494 1.714 1.00 42.31 O ATOM 674 CB SER A 47 22.404 28.561 3.669 1.00 13.44 C ATOM 675 OG SER A 47 23.443 28.033 4.475 1.00 70.22 O ATOM 0 H SER A 47 22.972 25.978 2.747 1.00 4.21 H new ATOM 0 HA SER A 47 21.623 28.385 1.675 1.00 21.31 H new ATOM 0 HB2 SER A 47 22.511 29.643 3.596 1.00 13.44 H new ATOM 0 HB3 SER A 47 21.440 28.367 4.140 1.00 13.44 H new ATOM 0 HG SER A 47 23.074 27.739 5.334 1.00 70.22 H new ATOM 681 N SER A 48 23.801 29.365 0.864 1.00 75.24 N ATOM 682 CA SER A 48 25.011 29.769 0.158 1.00 53.31 C ATOM 683 C SER A 48 26.131 30.093 1.142 1.00 51.12 C ATOM 684 O SER A 48 27.311 29.981 0.814 1.00 22.10 O ATOM 685 CB SER A 48 24.728 30.984 -0.728 1.00 51.01 C ATOM 686 OG SER A 48 25.772 31.186 -1.665 1.00 12.22 O ATOM 0 H SER A 48 23.014 30.004 0.752 1.00 75.24 H new ATOM 0 HA SER A 48 25.331 28.937 -0.469 1.00 53.31 H new ATOM 0 HB2 SER A 48 23.785 30.842 -1.255 1.00 51.01 H new ATOM 0 HB3 SER A 48 24.615 31.873 -0.107 1.00 51.01 H new ATOM 0 HG SER A 48 25.567 31.967 -2.220 1.00 12.22 H new ATOM 692 N ASN A 49 25.751 30.496 2.350 1.00 34.30 N ATOM 693 CA ASN A 49 26.722 30.837 3.383 1.00 60.11 C ATOM 694 C ASN A 49 27.533 32.065 2.982 1.00 2.43 C ATOM 695 O ASN A 49 27.716 32.344 1.797 1.00 60.44 O ATOM 696 CB ASN A 49 27.659 29.655 3.641 1.00 0.33 C ATOM 697 CG ASN A 49 28.435 29.805 4.936 1.00 41.15 C ATOM 698 OD1 ASN A 49 29.583 30.250 4.936 1.00 61.31 O ATOM 699 ND2 ASN A 49 27.810 29.433 6.047 1.00 50.25 N ATOM 0 H ASN A 49 24.777 30.594 2.638 1.00 34.30 H new ATOM 0 HA ASN A 49 26.177 31.066 4.298 1.00 60.11 H new ATOM 0 HB2 ASN A 49 27.077 28.734 3.674 1.00 0.33 H new ATOM 0 HB3 ASN A 49 28.358 29.561 2.810 1.00 0.33 H new ATOM 0 HD21 ASN A 49 28.282 29.511 6.948 1.00 50.25 H new ATOM 0 HD22 ASN A 49 26.858 29.070 5.999 1.00 50.25 H new ATOM 706 N THR A 50 28.019 32.798 3.980 1.00 52.34 N ATOM 707 CA THR A 50 28.810 33.997 3.732 1.00 11.13 C ATOM 708 C THR A 50 29.798 34.248 4.866 1.00 34.41 C ATOM 709 O THR A 50 31.009 34.124 4.685 1.00 1.22 O ATOM 710 CB THR A 50 27.912 35.238 3.565 1.00 24.20 C ATOM 711 OG1 THR A 50 26.892 34.977 2.594 1.00 4.34 O ATOM 712 CG2 THR A 50 28.732 36.445 3.135 1.00 64.20 C ATOM 0 H THR A 50 27.878 32.582 4.967 1.00 52.34 H new ATOM 0 HA THR A 50 29.359 33.827 2.806 1.00 11.13 H new ATOM 0 HB THR A 50 27.449 35.457 4.527 1.00 24.20 H new ATOM 0 HG1 THR A 50 26.325 35.770 2.494 1.00 4.34 H new ATOM 0 HG21 THR A 50 28.077 37.309 3.023 1.00 64.20 H new ATOM 0 HG22 THR A 50 29.489 36.658 3.890 1.00 64.20 H new ATOM 0 HG23 THR A 50 29.219 36.234 2.183 1.00 64.20 H new ATOM 720 N ASP A 51 29.273 34.599 6.035 1.00 52.13 N ATOM 721 CA ASP A 51 30.109 34.865 7.199 1.00 1.33 C ATOM 722 C ASP A 51 29.872 33.823 8.288 1.00 11.41 C ATOM 723 O ASP A 51 30.819 33.287 8.864 1.00 31.01 O ATOM 724 CB ASP A 51 29.828 36.266 7.746 1.00 21.32 C ATOM 725 CG ASP A 51 31.039 36.876 8.425 1.00 34.33 C ATOM 726 OD1 ASP A 51 31.621 36.212 9.309 1.00 50.03 O ATOM 727 OD2 ASP A 51 31.404 38.016 8.073 1.00 41.33 O ATOM 0 H ASP A 51 28.272 34.706 6.201 1.00 52.13 H new ATOM 0 HA ASP A 51 31.152 34.808 6.887 1.00 1.33 H new ATOM 0 HB2 ASP A 51 29.508 36.914 6.930 1.00 21.32 H new ATOM 0 HB3 ASP A 51 29.003 36.217 8.457 1.00 21.32 H new ATOM 732 N ILE A 52 28.603 33.543 8.565 1.00 0.23 N ATOM 733 CA ILE A 52 28.242 32.566 9.585 1.00 62.11 C ATOM 734 C ILE A 52 26.728 32.433 9.707 1.00 21.04 C ATOM 735 O ILE A 52 26.091 33.149 10.481 1.00 5.24 O ATOM 736 CB ILE A 52 28.826 32.944 10.959 1.00 50.21 C ATOM 737 CG1 ILE A 52 28.235 32.051 12.052 1.00 42.02 C ATOM 738 CG2 ILE A 52 28.557 34.411 11.263 1.00 64.50 C ATOM 739 CD1 ILE A 52 29.247 31.614 13.087 1.00 22.25 C ATOM 0 H ILE A 52 27.808 33.979 8.098 1.00 0.23 H new ATOM 0 HA ILE A 52 28.664 31.611 9.271 1.00 62.11 H new ATOM 0 HB ILE A 52 29.905 32.790 10.934 1.00 50.21 H new ATOM 0 HG12 ILE A 52 27.426 32.586 12.550 1.00 42.02 H new ATOM 0 HG13 ILE A 52 27.795 31.167 11.590 1.00 42.02 H new ATOM 0 HG21 ILE A 52 28.976 34.663 12.237 1.00 64.50 H new ATOM 0 HG22 ILE A 52 29.021 35.032 10.497 1.00 64.50 H new ATOM 0 HG23 ILE A 52 27.482 34.589 11.273 1.00 64.50 H new ATOM 0 HD11 ILE A 52 28.758 30.984 13.830 1.00 22.25 H new ATOM 0 HD12 ILE A 52 30.044 31.051 12.601 1.00 22.25 H new ATOM 0 HD13 ILE A 52 29.669 32.492 13.576 1.00 22.25 H new ATOM 751 N LEU A 53 26.157 31.511 8.940 1.00 12.04 N ATOM 752 CA LEU A 53 24.716 31.282 8.964 1.00 63.31 C ATOM 753 C LEU A 53 24.403 29.789 8.997 1.00 50.24 C ATOM 754 O LEU A 53 25.077 28.989 8.349 1.00 63.15 O ATOM 755 CB LEU A 53 24.057 31.926 7.743 1.00 4.11 C ATOM 756 CG LEU A 53 24.713 31.632 6.393 1.00 33.02 C ATOM 757 CD1 LEU A 53 23.845 30.691 5.572 1.00 33.13 C ATOM 758 CD2 LEU A 53 24.969 32.924 5.632 1.00 41.41 C ATOM 0 H LEU A 53 26.669 30.910 8.294 1.00 12.04 H new ATOM 0 HA LEU A 53 24.315 31.739 9.869 1.00 63.31 H new ATOM 0 HB2 LEU A 53 23.019 31.597 7.699 1.00 4.11 H new ATOM 0 HB3 LEU A 53 24.043 33.006 7.890 1.00 4.11 H new ATOM 0 HG LEU A 53 25.671 31.145 6.574 1.00 33.02 H new ATOM 0 HD11 LEU A 53 24.327 30.493 4.615 1.00 33.13 H new ATOM 0 HD12 LEU A 53 23.713 29.754 6.112 1.00 33.13 H new ATOM 0 HD13 LEU A 53 22.872 31.151 5.400 1.00 33.13 H new ATOM 0 HD21 LEU A 53 25.436 32.696 4.674 1.00 41.41 H new ATOM 0 HD22 LEU A 53 24.024 33.439 5.461 1.00 41.41 H new ATOM 0 HD23 LEU A 53 25.631 33.564 6.215 1.00 41.41 H new ATOM 770 N SER A 54 23.374 29.422 9.754 1.00 42.21 N ATOM 771 CA SER A 54 22.972 28.026 9.872 1.00 30.53 C ATOM 772 C SER A 54 21.453 27.892 9.826 1.00 31.13 C ATOM 773 O SER A 54 20.729 28.714 10.389 1.00 44.42 O ATOM 774 CB SER A 54 23.509 27.427 11.174 1.00 72.22 C ATOM 775 OG SER A 54 24.924 27.482 11.215 1.00 2.41 O ATOM 0 H SER A 54 22.804 30.072 10.295 1.00 42.21 H new ATOM 0 HA SER A 54 23.393 27.480 9.028 1.00 30.53 H new ATOM 0 HB2 SER A 54 23.096 27.969 12.025 1.00 72.22 H new ATOM 0 HB3 SER A 54 23.179 26.392 11.265 1.00 72.22 H new ATOM 0 HG SER A 54 25.242 27.095 12.057 1.00 2.41 H new ATOM 781 N ILE A 55 20.977 26.850 9.152 1.00 1.25 N ATOM 782 CA ILE A 55 19.545 26.608 9.033 1.00 32.45 C ATOM 783 C ILE A 55 19.148 25.308 9.725 1.00 21.22 C ATOM 784 O ILE A 55 19.736 24.256 9.476 1.00 24.43 O ATOM 785 CB ILE A 55 19.105 26.546 7.559 1.00 52.32 C ATOM 786 CG1 ILE A 55 19.516 27.826 6.828 1.00 70.24 C ATOM 787 CG2 ILE A 55 17.601 26.335 7.463 1.00 22.21 C ATOM 788 CD1 ILE A 55 19.021 27.891 5.400 1.00 43.24 C ATOM 0 H ILE A 55 21.562 26.160 8.680 1.00 1.25 H new ATOM 0 HA ILE A 55 19.042 27.444 9.519 1.00 32.45 H new ATOM 0 HB ILE A 55 19.602 25.701 7.082 1.00 52.32 H new ATOM 0 HG12 ILE A 55 19.133 28.687 7.376 1.00 70.24 H new ATOM 0 HG13 ILE A 55 20.603 27.904 6.831 1.00 70.24 H new ATOM 0 HG21 ILE A 55 17.306 26.293 6.415 1.00 22.21 H new ATOM 0 HG22 ILE A 55 17.333 25.399 7.953 1.00 22.21 H new ATOM 0 HG23 ILE A 55 17.086 27.161 7.953 1.00 22.21 H new ATOM 0 HD11 ILE A 55 19.349 28.825 4.943 1.00 43.24 H new ATOM 0 HD12 ILE A 55 19.425 27.050 4.836 1.00 43.24 H new ATOM 0 HD13 ILE A 55 17.932 27.845 5.390 1.00 43.24 H new ATOM 800 N SER A 56 18.145 25.388 10.594 1.00 42.32 N ATOM 801 CA SER A 56 17.670 24.219 11.324 1.00 62.55 C ATOM 802 C SER A 56 16.253 23.849 10.895 1.00 44.12 C ATOM 803 O SER A 56 15.314 24.619 11.090 1.00 72.31 O ATOM 804 CB SER A 56 17.707 24.481 12.830 1.00 1.52 C ATOM 805 OG SER A 56 18.343 25.715 13.117 1.00 23.22 O ATOM 0 H SER A 56 17.646 26.251 10.809 1.00 42.32 H new ATOM 0 HA SER A 56 18.331 23.384 11.092 1.00 62.55 H new ATOM 0 HB2 SER A 56 16.691 24.491 13.226 1.00 1.52 H new ATOM 0 HB3 SER A 56 18.236 23.670 13.331 1.00 1.52 H new ATOM 0 HG SER A 56 18.353 25.860 14.086 1.00 23.22 H new ATOM 811 N ASN A 57 16.109 22.665 10.309 1.00 21.21 N ATOM 812 CA ASN A 57 14.808 22.192 9.851 1.00 35.05 C ATOM 813 C ASN A 57 14.420 20.896 10.558 1.00 1.50 C ATOM 814 O ASN A 57 13.241 20.636 10.796 1.00 62.22 O ATOM 815 CB ASN A 57 14.824 21.975 8.337 1.00 22.20 C ATOM 816 CG ASN A 57 13.432 21.800 7.763 1.00 74.23 C ATOM 817 OD1 ASN A 57 12.437 21.870 8.485 1.00 70.32 O ATOM 818 ND2 ASN A 57 13.355 21.571 6.457 1.00 72.31 N ATOM 0 H ASN A 57 16.877 22.016 10.140 1.00 21.21 H new ATOM 0 HA ASN A 57 14.067 22.954 10.094 1.00 35.05 H new ATOM 0 HB2 ASN A 57 15.308 22.825 7.856 1.00 22.20 H new ATOM 0 HB3 ASN A 57 15.423 21.094 8.105 1.00 22.20 H new ATOM 0 HD21 ASN A 57 12.445 21.445 6.014 1.00 72.31 H new ATOM 0 HD22 ASN A 57 14.206 21.521 5.897 1.00 72.31 H new ATOM 825 N ALA A 58 15.421 20.089 10.891 1.00 23.54 N ATOM 826 CA ALA A 58 15.186 18.822 11.573 1.00 21.30 C ATOM 827 C ALA A 58 14.933 19.038 13.061 1.00 24.32 C ATOM 828 O ALA A 58 14.672 18.089 13.800 1.00 21.34 O ATOM 829 CB ALA A 58 16.367 17.884 11.367 1.00 54.32 C ATOM 0 H ALA A 58 16.403 20.290 10.700 1.00 23.54 H new ATOM 0 HA ALA A 58 14.295 18.366 11.142 1.00 21.30 H new ATOM 0 HB1 ALA A 58 16.178 16.942 11.882 1.00 54.32 H new ATOM 0 HB2 ALA A 58 16.500 17.695 10.302 1.00 54.32 H new ATOM 0 HB3 ALA A 58 17.270 18.342 11.770 1.00 54.32 H new ATOM 835 N SER A 59 15.014 20.292 13.495 1.00 73.25 N ATOM 836 CA SER A 59 14.798 20.632 14.896 1.00 20.51 C ATOM 837 C SER A 59 13.446 20.114 15.379 1.00 43.13 C ATOM 838 O SER A 59 13.324 19.614 16.497 1.00 10.32 O ATOM 839 CB SER A 59 14.877 22.147 15.094 1.00 70.45 C ATOM 840 OG SER A 59 16.153 22.532 15.574 1.00 10.43 O ATOM 0 H SER A 59 15.228 21.089 12.896 1.00 73.25 H new ATOM 0 HA SER A 59 15.582 20.155 15.485 1.00 20.51 H new ATOM 0 HB2 SER A 59 14.673 22.652 14.150 1.00 70.45 H new ATOM 0 HB3 SER A 59 14.109 22.466 15.798 1.00 70.45 H new ATOM 0 HG SER A 59 16.179 23.505 15.691 1.00 10.43 H new ATOM 846 N ASP A 60 12.434 20.238 14.527 1.00 4.12 N ATOM 847 CA ASP A 60 11.091 19.783 14.865 1.00 72.43 C ATOM 848 C ASP A 60 10.185 19.807 13.638 1.00 75.21 C ATOM 849 O ASP A 60 9.066 20.317 13.690 1.00 13.43 O ATOM 850 CB ASP A 60 10.496 20.656 15.971 1.00 61.42 C ATOM 851 CG ASP A 60 9.619 19.866 16.923 1.00 5.31 C ATOM 852 OD1 ASP A 60 10.171 19.097 17.738 1.00 12.23 O ATOM 853 OD2 ASP A 60 8.382 20.018 16.854 1.00 41.32 O ATOM 0 H ASP A 60 12.519 20.650 13.598 1.00 4.12 H new ATOM 0 HA ASP A 60 11.161 18.756 15.223 1.00 72.43 H new ATOM 0 HB2 ASP A 60 11.303 21.127 16.532 1.00 61.42 H new ATOM 0 HB3 ASP A 60 9.910 21.457 15.522 1.00 61.42 H new ATOM 858 N SER A 61 10.676 19.252 12.534 1.00 10.33 N ATOM 859 CA SER A 61 9.913 19.215 11.293 1.00 75.35 C ATOM 860 C SER A 61 9.880 20.590 10.633 1.00 71.01 C ATOM 861 O SER A 61 10.346 20.762 9.506 1.00 5.34 O ATOM 862 CB SER A 61 8.486 18.731 11.561 1.00 40.14 C ATOM 863 OG SER A 61 8.460 17.773 12.604 1.00 20.22 O ATOM 0 H SER A 61 11.599 18.822 12.474 1.00 10.33 H new ATOM 0 HA SER A 61 10.405 18.518 10.615 1.00 75.35 H new ATOM 0 HB2 SER A 61 7.855 19.579 11.826 1.00 40.14 H new ATOM 0 HB3 SER A 61 8.070 18.296 10.653 1.00 40.14 H new ATOM 0 HG SER A 61 7.537 17.481 12.757 1.00 20.22 H new ATOM 869 N HIS A 62 9.325 21.567 11.343 1.00 2.03 N ATOM 870 CA HIS A 62 9.231 22.928 10.828 1.00 4.42 C ATOM 871 C HIS A 62 10.592 23.421 10.343 1.00 74.40 C ATOM 872 O HIS A 62 11.626 23.077 10.912 1.00 25.05 O ATOM 873 CB HIS A 62 8.691 23.868 11.906 1.00 10.15 C ATOM 874 CG HIS A 62 8.754 25.315 11.526 1.00 4.43 C ATOM 875 ND1 HIS A 62 8.284 25.799 10.324 1.00 73.02 N ATOM 876 CD2 HIS A 62 9.236 26.387 12.199 1.00 54.14 C ATOM 877 CE1 HIS A 62 8.474 27.105 10.272 1.00 2.21 C ATOM 878 NE2 HIS A 62 9.050 27.487 11.398 1.00 50.12 N ATOM 0 H HIS A 62 8.934 21.441 12.277 1.00 2.03 H new ATOM 0 HA HIS A 62 8.543 22.923 9.983 1.00 4.42 H new ATOM 0 HB2 HIS A 62 7.656 23.603 12.123 1.00 10.15 H new ATOM 0 HB3 HIS A 62 9.258 23.717 12.825 1.00 10.15 H new ATOM 0 HD1 HIS A 62 7.856 25.236 9.589 1.00 73.02 H new ATOM 0 HD2 HIS A 62 9.683 26.378 13.182 1.00 54.14 H new ATOM 0 HE1 HIS A 62 8.204 27.751 9.449 1.00 2.21 H new ATOM 886 N GLY A 63 10.581 24.227 9.286 1.00 43.21 N ATOM 887 CA GLY A 63 11.820 24.752 8.742 1.00 52.45 C ATOM 888 C GLY A 63 12.139 26.140 9.261 1.00 54.55 C ATOM 889 O GLY A 63 11.262 27.004 9.325 1.00 24.35 O ATOM 0 H GLY A 63 9.737 24.526 8.797 1.00 43.21 H new ATOM 0 HA2 GLY A 63 12.638 24.077 8.993 1.00 52.45 H new ATOM 0 HA3 GLY A 63 11.752 24.781 7.654 1.00 52.45 H new ATOM 893 N LEU A 64 13.395 26.357 9.633 1.00 63.21 N ATOM 894 CA LEU A 64 13.828 27.650 10.151 1.00 50.11 C ATOM 895 C LEU A 64 15.266 27.948 9.740 1.00 25.41 C ATOM 896 O LEU A 64 16.142 27.089 9.842 1.00 72.30 O ATOM 897 CB LEU A 64 13.705 27.678 11.675 1.00 12.04 C ATOM 898 CG LEU A 64 12.497 26.949 12.265 1.00 54.24 C ATOM 899 CD1 LEU A 64 12.815 25.478 12.484 1.00 3.52 C ATOM 900 CD2 LEU A 64 12.063 27.603 13.568 1.00 11.34 C ATOM 0 H LEU A 64 14.132 25.654 9.586 1.00 63.21 H new ATOM 0 HA LEU A 64 13.182 28.418 9.726 1.00 50.11 H new ATOM 0 HB2 LEU A 64 14.610 27.243 12.100 1.00 12.04 H new ATOM 0 HB3 LEU A 64 13.669 28.719 11.997 1.00 12.04 H new ATOM 0 HG LEU A 64 11.673 27.019 11.555 1.00 54.24 H new ATOM 0 HD11 LEU A 64 11.944 24.976 12.904 1.00 3.52 H new ATOM 0 HD12 LEU A 64 13.075 25.016 11.532 1.00 3.52 H new ATOM 0 HD13 LEU A 64 13.654 25.386 13.173 1.00 3.52 H new ATOM 0 HD21 LEU A 64 11.202 27.071 13.973 1.00 11.34 H new ATOM 0 HD22 LEU A 64 12.883 27.565 14.285 1.00 11.34 H new ATOM 0 HD23 LEU A 64 11.792 28.642 13.381 1.00 11.34 H new ATOM 912 N ALA A 65 15.503 29.171 9.277 1.00 23.24 N ATOM 913 CA ALA A 65 16.836 29.583 8.855 1.00 2.14 C ATOM 914 C ALA A 65 17.333 30.764 9.683 1.00 62.33 C ATOM 915 O ALA A 65 16.599 31.724 9.915 1.00 32.24 O ATOM 916 CB ALA A 65 16.836 29.936 7.375 1.00 15.24 C ATOM 0 H ALA A 65 14.789 29.894 9.185 1.00 23.24 H new ATOM 0 HA ALA A 65 17.516 28.747 9.017 1.00 2.14 H new ATOM 0 HB1 ALA A 65 17.838 30.242 7.074 1.00 15.24 H new ATOM 0 HB2 ALA A 65 16.532 29.066 6.793 1.00 15.24 H new ATOM 0 HB3 ALA A 65 16.138 30.754 7.196 1.00 15.24 H new ATOM 922 N SER A 66 18.584 30.686 10.125 1.00 22.50 N ATOM 923 CA SER A 66 19.178 31.746 10.931 1.00 52.23 C ATOM 924 C SER A 66 20.426 32.306 10.256 1.00 4.54 C ATOM 925 O SER A 66 21.424 31.604 10.087 1.00 12.31 O ATOM 926 CB SER A 66 19.529 31.221 12.324 1.00 11.32 C ATOM 927 OG SER A 66 19.676 32.286 13.248 1.00 34.31 O ATOM 0 H SER A 66 19.206 29.899 9.938 1.00 22.50 H new ATOM 0 HA SER A 66 18.447 32.549 11.027 1.00 52.23 H new ATOM 0 HB2 SER A 66 18.748 30.542 12.668 1.00 11.32 H new ATOM 0 HB3 SER A 66 20.454 30.646 12.277 1.00 11.32 H new ATOM 0 HG SER A 66 19.899 31.924 14.131 1.00 34.31 H new ATOM 933 N THR A 67 20.364 33.578 9.873 1.00 61.24 N ATOM 934 CA THR A 67 21.488 34.234 9.216 1.00 74.23 C ATOM 935 C THR A 67 22.173 35.221 10.154 1.00 61.33 C ATOM 936 O THR A 67 21.516 35.903 10.942 1.00 64.33 O ATOM 937 CB THR A 67 21.038 34.979 7.945 1.00 62.45 C ATOM 938 OG1 THR A 67 22.104 35.801 7.456 1.00 71.21 O ATOM 939 CG2 THR A 67 19.815 35.839 8.225 1.00 22.41 C ATOM 0 H THR A 67 19.547 34.174 10.007 1.00 61.24 H new ATOM 0 HA THR A 67 22.194 33.451 8.939 1.00 74.23 H new ATOM 0 HB THR A 67 20.775 34.238 7.190 1.00 62.45 H new ATOM 0 HG1 THR A 67 22.026 35.894 6.484 1.00 71.21 H new ATOM 0 HG21 THR A 67 19.516 36.355 7.312 1.00 22.41 H new ATOM 0 HG22 THR A 67 18.996 35.207 8.569 1.00 22.41 H new ATOM 0 HG23 THR A 67 20.055 36.573 8.995 1.00 22.41 H new ATOM 947 N LEU A 68 23.496 35.293 10.064 1.00 5.20 N ATOM 948 CA LEU A 68 24.272 36.199 10.905 1.00 31.40 C ATOM 949 C LEU A 68 25.500 36.714 10.162 1.00 25.32 C ATOM 950 O LEU A 68 26.634 36.462 10.568 1.00 1.24 O ATOM 951 CB LEU A 68 24.699 35.491 12.192 1.00 64.52 C ATOM 952 CG LEU A 68 24.876 36.382 13.422 1.00 61.05 C ATOM 953 CD1 LEU A 68 25.456 35.585 14.580 1.00 44.25 C ATOM 954 CD2 LEU A 68 25.764 37.573 13.093 1.00 1.44 C ATOM 0 H LEU A 68 24.054 34.735 9.418 1.00 5.20 H new ATOM 0 HA LEU A 68 23.641 37.051 11.159 1.00 31.40 H new ATOM 0 HB2 LEU A 68 23.958 34.727 12.426 1.00 64.52 H new ATOM 0 HB3 LEU A 68 25.640 34.975 12.004 1.00 64.52 H new ATOM 0 HG LEU A 68 23.897 36.756 13.721 1.00 61.05 H new ATOM 0 HD11 LEU A 68 25.575 36.236 15.446 1.00 44.25 H new ATOM 0 HD12 LEU A 68 24.782 34.766 14.831 1.00 44.25 H new ATOM 0 HD13 LEU A 68 26.427 35.181 14.294 1.00 44.25 H new ATOM 0 HD21 LEU A 68 25.879 38.197 13.979 1.00 1.44 H new ATOM 0 HD22 LEU A 68 26.742 37.219 12.769 1.00 1.44 H new ATOM 0 HD23 LEU A 68 25.307 38.158 12.295 1.00 1.44 H new ATOM 966 N ASN A 69 25.266 37.438 9.073 1.00 64.24 N ATOM 967 CA ASN A 69 26.354 37.990 8.274 1.00 44.23 C ATOM 968 C ASN A 69 25.946 39.318 7.642 1.00 31.33 C ATOM 969 O ASN A 69 24.786 39.722 7.720 1.00 22.25 O ATOM 970 CB ASN A 69 26.768 37.000 7.183 1.00 20.23 C ATOM 971 CG ASN A 69 25.624 36.658 6.248 1.00 10.32 C ATOM 972 OD1 ASN A 69 25.541 37.177 5.135 1.00 44.40 O ATOM 973 ND2 ASN A 69 24.734 35.781 6.698 1.00 42.10 N ATOM 0 H ASN A 69 24.333 37.656 8.723 1.00 64.24 H new ATOM 0 HA ASN A 69 27.202 38.167 8.935 1.00 44.23 H new ATOM 0 HB2 ASN A 69 27.591 37.422 6.606 1.00 20.23 H new ATOM 0 HB3 ASN A 69 27.140 36.087 7.647 1.00 20.23 H new ATOM 0 HD21 ASN A 69 23.942 35.513 6.114 1.00 42.10 H new ATOM 0 HD22 ASN A 69 24.842 35.376 7.628 1.00 42.10 H new ATOM 980 N GLN A 70 26.907 39.990 7.017 1.00 70.31 N ATOM 981 CA GLN A 70 26.647 41.271 6.372 1.00 11.41 C ATOM 982 C GLN A 70 26.814 41.164 4.860 1.00 1.00 C ATOM 983 O GLN A 70 27.601 41.894 4.259 1.00 54.50 O ATOM 984 CB GLN A 70 27.586 42.345 6.926 1.00 34.30 C ATOM 985 CG GLN A 70 29.058 41.982 6.814 1.00 54.10 C ATOM 986 CD GLN A 70 29.882 43.080 6.170 1.00 75.52 C ATOM 987 OE1 GLN A 70 29.399 43.805 5.300 1.00 74.12 O ATOM 988 NE2 GLN A 70 31.133 43.207 6.595 1.00 41.44 N ATOM 0 H GLN A 70 27.872 39.669 6.944 1.00 70.31 H new ATOM 0 HA GLN A 70 25.616 41.554 6.586 1.00 11.41 H new ATOM 0 HB2 GLN A 70 27.409 43.280 6.394 1.00 34.30 H new ATOM 0 HB3 GLN A 70 27.343 42.523 7.973 1.00 34.30 H new ATOM 0 HG2 GLN A 70 29.453 41.772 7.808 1.00 54.10 H new ATOM 0 HG3 GLN A 70 29.159 41.067 6.230 1.00 54.10 H new ATOM 0 HE21 GLN A 70 31.492 42.584 7.318 1.00 41.44 H new ATOM 0 HE22 GLN A 70 31.736 43.928 6.198 1.00 41.44 H new ATOM 997 N GLY A 71 26.069 40.247 4.251 1.00 55.15 N ATOM 998 CA GLY A 71 26.150 40.061 2.814 1.00 74.44 C ATOM 999 C GLY A 71 24.884 39.461 2.235 1.00 72.55 C ATOM 1000 O GLY A 71 23.819 39.531 2.847 1.00 23.41 O ATOM 0 H GLY A 71 25.411 39.630 4.727 1.00 55.15 H new ATOM 0 HA2 GLY A 71 26.344 41.021 2.337 1.00 74.44 H new ATOM 0 HA3 GLY A 71 26.995 39.413 2.582 1.00 74.44 H new ATOM 1004 N ASN A 72 24.999 38.870 1.049 1.00 1.14 N ATOM 1005 CA ASN A 72 23.854 38.257 0.386 1.00 11.31 C ATOM 1006 C ASN A 72 23.910 36.737 0.498 1.00 31.20 C ATOM 1007 O ASN A 72 24.914 36.114 0.151 1.00 52.53 O ATOM 1008 CB ASN A 72 23.810 38.670 -1.086 1.00 51.35 C ATOM 1009 CG ASN A 72 24.646 39.904 -1.366 1.00 50.21 C ATOM 1010 OD1 ASN A 72 25.876 39.849 -1.358 1.00 52.12 O ATOM 1011 ND2 ASN A 72 23.980 41.026 -1.615 1.00 61.10 N ATOM 0 H ASN A 72 25.873 38.803 0.528 1.00 1.14 H new ATOM 0 HA ASN A 72 22.948 38.607 0.882 1.00 11.31 H new ATOM 0 HB2 ASN A 72 24.167 37.845 -1.703 1.00 51.35 H new ATOM 0 HB3 ASN A 72 22.777 38.861 -1.376 1.00 51.35 H new ATOM 0 HD21 ASN A 72 24.489 41.888 -1.810 1.00 61.10 H new ATOM 0 HD22 ASN A 72 22.960 41.025 -1.611 1.00 61.10 H new ATOM 1018 N VAL A 73 22.824 36.144 0.985 1.00 42.22 N ATOM 1019 CA VAL A 73 22.748 34.697 1.141 1.00 24.41 C ATOM 1020 C VAL A 73 21.707 34.096 0.203 1.00 10.43 C ATOM 1021 O VAL A 73 20.700 34.730 -0.112 1.00 13.44 O ATOM 1022 CB VAL A 73 22.404 34.306 2.591 1.00 72.24 C ATOM 1023 CG1 VAL A 73 23.458 34.834 3.551 1.00 22.02 C ATOM 1024 CG2 VAL A 73 21.023 34.820 2.967 1.00 55.54 C ATOM 0 H VAL A 73 21.985 36.644 1.278 1.00 42.22 H new ATOM 0 HA VAL A 73 23.731 34.300 0.889 1.00 24.41 H new ATOM 0 HB VAL A 73 22.394 33.218 2.663 1.00 72.24 H new ATOM 0 HG11 VAL A 73 23.198 34.548 4.570 1.00 22.02 H new ATOM 0 HG12 VAL A 73 24.429 34.412 3.293 1.00 22.02 H new ATOM 0 HG13 VAL A 73 23.503 35.921 3.480 1.00 22.02 H new ATOM 0 HG21 VAL A 73 20.796 34.535 3.994 1.00 55.54 H new ATOM 0 HG22 VAL A 73 21.003 35.906 2.879 1.00 55.54 H new ATOM 0 HG23 VAL A 73 20.279 34.388 2.298 1.00 55.54 H new ATOM 1034 N LYS A 74 21.956 32.869 -0.240 1.00 70.04 N ATOM 1035 CA LYS A 74 21.040 32.180 -1.141 1.00 52.15 C ATOM 1036 C LYS A 74 20.506 30.902 -0.502 1.00 40.12 C ATOM 1037 O LYS A 74 21.268 29.987 -0.191 1.00 21.25 O ATOM 1038 CB LYS A 74 21.742 31.848 -2.460 1.00 51.52 C ATOM 1039 CG LYS A 74 20.828 31.923 -3.671 1.00 62.12 C ATOM 1040 CD LYS A 74 20.116 30.603 -3.915 1.00 23.23 C ATOM 1041 CE LYS A 74 20.735 29.842 -5.077 1.00 63.12 C ATOM 1042 NZ LYS A 74 22.018 29.191 -4.693 1.00 64.44 N ATOM 0 H LYS A 74 22.785 32.331 0.010 1.00 70.04 H new ATOM 0 HA LYS A 74 20.199 32.844 -1.341 1.00 52.15 H new ATOM 0 HB2 LYS A 74 22.576 32.536 -2.601 1.00 51.52 H new ATOM 0 HB3 LYS A 74 22.164 30.845 -2.395 1.00 51.52 H new ATOM 0 HG2 LYS A 74 20.091 32.713 -3.524 1.00 62.12 H new ATOM 0 HG3 LYS A 74 21.411 32.191 -4.552 1.00 62.12 H new ATOM 0 HD2 LYS A 74 20.161 29.992 -3.013 1.00 23.23 H new ATOM 0 HD3 LYS A 74 19.062 30.790 -4.121 1.00 23.23 H new ATOM 0 HE2 LYS A 74 20.035 29.085 -5.429 1.00 63.12 H new ATOM 0 HE3 LYS A 74 20.909 30.526 -5.908 1.00 63.12 H new ATOM 0 HZ1 LYS A 74 22.450 28.754 -5.532 1.00 64.44 H new ATOM 0 HZ2 LYS A 74 22.666 29.904 -4.301 1.00 64.44 H new ATOM 0 HZ3 LYS A 74 21.835 28.459 -3.977 1.00 64.44 H new ATOM 1056 N VAL A 75 19.192 30.846 -0.311 1.00 32.24 N ATOM 1057 CA VAL A 75 18.556 29.679 0.289 1.00 31.20 C ATOM 1058 C VAL A 75 18.110 28.687 -0.779 1.00 31.50 C ATOM 1059 O VAL A 75 17.275 29.003 -1.627 1.00 70.12 O ATOM 1060 CB VAL A 75 17.338 30.080 1.142 1.00 20.34 C ATOM 1061 CG1 VAL A 75 16.656 28.846 1.713 1.00 71.53 C ATOM 1062 CG2 VAL A 75 17.757 31.029 2.255 1.00 53.44 C ATOM 0 H VAL A 75 18.547 31.595 -0.563 1.00 32.24 H new ATOM 0 HA VAL A 75 19.300 29.208 0.931 1.00 31.20 H new ATOM 0 HB VAL A 75 16.623 30.598 0.502 1.00 20.34 H new ATOM 0 HG11 VAL A 75 15.798 29.149 2.313 1.00 71.53 H new ATOM 0 HG12 VAL A 75 16.321 28.205 0.897 1.00 71.53 H new ATOM 0 HG13 VAL A 75 17.360 28.298 2.339 1.00 71.53 H new ATOM 0 HG21 VAL A 75 16.884 31.302 2.848 1.00 53.44 H new ATOM 0 HG22 VAL A 75 18.491 30.538 2.894 1.00 53.44 H new ATOM 0 HG23 VAL A 75 18.196 31.927 1.821 1.00 53.44 H new ATOM 1072 N THR A 76 18.672 27.482 -0.732 1.00 52.51 N ATOM 1073 CA THR A 76 18.333 26.443 -1.696 1.00 30.14 C ATOM 1074 C THR A 76 17.976 25.138 -0.994 1.00 22.35 C ATOM 1075 O THR A 76 18.703 24.676 -0.114 1.00 41.13 O ATOM 1076 CB THR A 76 19.493 26.185 -2.675 1.00 44.12 C ATOM 1077 OG1 THR A 76 20.506 27.184 -2.509 1.00 31.11 O ATOM 1078 CG2 THR A 76 18.999 26.192 -4.114 1.00 33.22 C ATOM 0 H THR A 76 19.364 27.203 -0.036 1.00 52.51 H new ATOM 0 HA THR A 76 17.468 26.800 -2.255 1.00 30.14 H new ATOM 0 HB THR A 76 19.912 25.203 -2.456 1.00 44.12 H new ATOM 0 HG1 THR A 76 21.353 26.856 -2.877 1.00 31.11 H new ATOM 0 HG21 THR A 76 19.836 26.008 -4.787 1.00 33.22 H new ATOM 0 HG22 THR A 76 18.249 25.412 -4.245 1.00 33.22 H new ATOM 0 HG23 THR A 76 18.557 27.162 -4.342 1.00 33.22 H new ATOM 1086 N ALA A 77 16.853 24.547 -1.388 1.00 61.20 N ATOM 1087 CA ALA A 77 16.402 23.293 -0.798 1.00 33.30 C ATOM 1088 C ALA A 77 15.905 22.329 -1.870 1.00 54.12 C ATOM 1089 O ALA A 77 15.588 22.738 -2.987 1.00 42.03 O ATOM 1090 CB ALA A 77 15.308 23.555 0.227 1.00 60.03 C ATOM 0 H ALA A 77 16.239 24.917 -2.114 1.00 61.20 H new ATOM 0 HA ALA A 77 17.252 22.830 -0.296 1.00 33.30 H new ATOM 0 HB1 ALA A 77 14.981 22.610 0.660 1.00 60.03 H new ATOM 0 HB2 ALA A 77 15.695 24.200 1.016 1.00 60.03 H new ATOM 0 HB3 ALA A 77 14.463 24.043 -0.259 1.00 60.03 H new ATOM 1096 N SER A 78 15.839 21.048 -1.523 1.00 71.42 N ATOM 1097 CA SER A 78 15.384 20.025 -2.458 1.00 64.11 C ATOM 1098 C SER A 78 14.645 18.909 -1.726 1.00 3.35 C ATOM 1099 O SER A 78 15.060 18.477 -0.650 1.00 3.23 O ATOM 1100 CB SER A 78 16.572 19.445 -3.229 1.00 73.12 C ATOM 1101 OG SER A 78 16.981 20.318 -4.268 1.00 32.03 O ATOM 0 H SER A 78 16.095 20.693 -0.601 1.00 71.42 H new ATOM 0 HA SER A 78 14.695 20.492 -3.162 1.00 64.11 H new ATOM 0 HB2 SER A 78 17.404 19.273 -2.546 1.00 73.12 H new ATOM 0 HB3 SER A 78 16.299 18.477 -3.649 1.00 73.12 H new ATOM 0 HG SER A 78 17.742 19.926 -4.744 1.00 32.03 H new ATOM 1107 N ILE A 79 13.548 18.448 -2.316 1.00 62.23 N ATOM 1108 CA ILE A 79 12.751 17.382 -1.721 1.00 44.13 C ATOM 1109 C ILE A 79 12.311 16.372 -2.775 1.00 35.32 C ATOM 1110 O ILE A 79 12.128 16.716 -3.942 1.00 32.52 O ATOM 1111 CB ILE A 79 11.506 17.941 -1.009 1.00 55.22 C ATOM 1112 CG1 ILE A 79 11.001 16.947 0.039 1.00 40.12 C ATOM 1113 CG2 ILE A 79 10.413 18.253 -2.021 1.00 13.13 C ATOM 1114 CD1 ILE A 79 9.859 17.479 0.876 1.00 2.22 C ATOM 0 H ILE A 79 13.190 18.796 -3.206 1.00 62.23 H new ATOM 0 HA ILE A 79 13.385 16.885 -0.987 1.00 44.13 H new ATOM 0 HB ILE A 79 11.780 18.866 -0.502 1.00 55.22 H new ATOM 0 HG12 ILE A 79 10.679 16.035 -0.463 1.00 40.12 H new ATOM 0 HG13 ILE A 79 11.826 16.674 0.697 1.00 40.12 H new ATOM 0 HG21 ILE A 79 9.539 18.647 -1.503 1.00 13.13 H new ATOM 0 HG22 ILE A 79 10.777 18.993 -2.733 1.00 13.13 H new ATOM 0 HG23 ILE A 79 10.139 17.342 -2.553 1.00 13.13 H new ATOM 0 HD11 ILE A 79 9.553 16.721 1.597 1.00 2.22 H new ATOM 0 HD12 ILE A 79 10.183 18.375 1.406 1.00 2.22 H new ATOM 0 HD13 ILE A 79 9.017 17.725 0.229 1.00 2.22 H new ATOM 1126 N GLY A 80 12.139 15.122 -2.354 1.00 4.13 N ATOM 1127 CA GLY A 80 11.719 14.081 -3.273 1.00 23.52 C ATOM 1128 C GLY A 80 10.675 14.564 -4.259 1.00 51.31 C ATOM 1129 O GLY A 80 10.673 14.159 -5.420 1.00 74.55 O ATOM 0 H GLY A 80 12.283 14.812 -1.393 1.00 4.13 H new ATOM 0 HA2 GLY A 80 12.587 13.712 -3.819 1.00 23.52 H new ATOM 0 HA3 GLY A 80 11.318 13.241 -2.706 1.00 23.52 H new ATOM 1133 N GLY A 81 9.783 15.434 -3.795 1.00 35.00 N ATOM 1134 CA GLY A 81 8.739 15.958 -4.657 1.00 62.31 C ATOM 1135 C GLY A 81 9.256 17.007 -5.621 1.00 41.11 C ATOM 1136 O GLY A 81 9.514 16.713 -6.789 1.00 13.41 O ATOM 0 H GLY A 81 9.765 15.785 -2.838 1.00 35.00 H new ATOM 0 HA2 GLY A 81 8.293 15.139 -5.221 1.00 62.31 H new ATOM 0 HA3 GLY A 81 7.949 16.391 -4.044 1.00 62.31 H new ATOM 1140 N ILE A 82 9.407 18.234 -5.133 1.00 34.31 N ATOM 1141 CA ILE A 82 9.895 19.330 -5.960 1.00 64.20 C ATOM 1142 C ILE A 82 10.865 20.215 -5.183 1.00 74.44 C ATOM 1143 O ILE A 82 10.764 20.339 -3.963 1.00 63.02 O ATOM 1144 CB ILE A 82 8.737 20.197 -6.488 1.00 30.31 C ATOM 1145 CG1 ILE A 82 7.663 19.316 -7.129 1.00 60.43 C ATOM 1146 CG2 ILE A 82 9.255 21.222 -7.486 1.00 74.40 C ATOM 1147 CD1 ILE A 82 6.354 20.035 -7.366 1.00 74.14 C ATOM 0 H ILE A 82 9.198 18.494 -4.169 1.00 34.31 H new ATOM 0 HA ILE A 82 10.415 18.880 -6.806 1.00 64.20 H new ATOM 0 HB ILE A 82 8.290 20.730 -5.649 1.00 30.31 H new ATOM 0 HG12 ILE A 82 8.037 18.936 -8.080 1.00 60.43 H new ATOM 0 HG13 ILE A 82 7.483 18.452 -6.489 1.00 60.43 H new ATOM 0 HG21 ILE A 82 8.425 21.827 -7.850 1.00 74.40 H new ATOM 0 HG22 ILE A 82 9.987 21.866 -6.999 1.00 74.40 H new ATOM 0 HG23 ILE A 82 9.725 20.708 -8.325 1.00 74.40 H new ATOM 0 HD11 ILE A 82 5.640 19.350 -7.822 1.00 74.14 H new ATOM 0 HD12 ILE A 82 5.958 20.392 -6.415 1.00 74.14 H new ATOM 0 HD13 ILE A 82 6.520 20.882 -8.031 1.00 74.14 H new ATOM 1159 N GLN A 83 11.801 20.828 -5.900 1.00 10.21 N ATOM 1160 CA GLN A 83 12.788 21.703 -5.277 1.00 73.24 C ATOM 1161 C GLN A 83 12.619 23.141 -5.756 1.00 42.10 C ATOM 1162 O GLN A 83 11.988 23.395 -6.781 1.00 35.13 O ATOM 1163 CB GLN A 83 14.203 21.212 -5.587 1.00 50.15 C ATOM 1164 CG GLN A 83 14.677 21.567 -6.988 1.00 10.45 C ATOM 1165 CD GLN A 83 15.304 20.390 -7.708 1.00 20.14 C ATOM 1166 OE1 GLN A 83 14.653 19.370 -7.938 1.00 43.33 O ATOM 1167 NE2 GLN A 83 16.575 20.524 -8.068 1.00 1.44 N ATOM 0 H GLN A 83 11.897 20.735 -6.911 1.00 10.21 H new ATOM 0 HA GLN A 83 12.631 21.678 -4.199 1.00 73.24 H new ATOM 0 HB2 GLN A 83 14.894 21.638 -4.860 1.00 50.15 H new ATOM 0 HB3 GLN A 83 14.238 20.130 -5.464 1.00 50.15 H new ATOM 0 HG2 GLN A 83 13.833 21.936 -7.570 1.00 10.45 H new ATOM 0 HG3 GLN A 83 15.402 22.379 -6.927 1.00 10.45 H new ATOM 0 HE21 GLN A 83 17.076 21.387 -7.857 1.00 1.44 H new ATOM 0 HE22 GLN A 83 17.050 19.764 -8.555 1.00 1.44 H new ATOM 1176 N GLY A 84 13.189 24.080 -5.006 1.00 72.12 N ATOM 1177 CA GLY A 84 13.090 25.481 -5.370 1.00 14.30 C ATOM 1178 C GLY A 84 14.300 26.281 -4.932 1.00 45.11 C ATOM 1179 O GLY A 84 15.292 25.716 -4.471 1.00 1.44 O ATOM 0 H GLY A 84 13.717 23.895 -4.153 1.00 72.12 H new ATOM 0 HA2 GLY A 84 12.975 25.565 -6.451 1.00 14.30 H new ATOM 0 HA3 GLY A 84 12.194 25.908 -4.920 1.00 14.30 H new ATOM 1183 N SER A 85 14.221 27.600 -5.078 1.00 62.23 N ATOM 1184 CA SER A 85 15.322 28.478 -4.699 1.00 54.55 C ATOM 1185 C SER A 85 14.796 29.803 -4.153 1.00 62.52 C ATOM 1186 O SER A 85 13.680 30.218 -4.465 1.00 75.11 O ATOM 1187 CB SER A 85 16.234 28.735 -5.901 1.00 13.35 C ATOM 1188 OG SER A 85 15.507 28.675 -7.115 1.00 75.13 O ATOM 0 H SER A 85 13.406 28.084 -5.456 1.00 62.23 H new ATOM 0 HA SER A 85 15.896 27.984 -3.915 1.00 54.55 H new ATOM 0 HB2 SER A 85 16.703 29.714 -5.803 1.00 13.35 H new ATOM 0 HB3 SER A 85 17.036 27.997 -5.917 1.00 13.35 H new ATOM 0 HG SER A 85 16.112 28.844 -7.867 1.00 75.13 H new ATOM 1194 N THR A 86 15.610 30.462 -3.335 1.00 12.44 N ATOM 1195 CA THR A 86 15.228 31.739 -2.743 1.00 25.41 C ATOM 1196 C THR A 86 16.434 32.661 -2.600 1.00 60.43 C ATOM 1197 O THR A 86 17.570 32.200 -2.488 1.00 61.24 O ATOM 1198 CB THR A 86 14.578 31.545 -1.360 1.00 63.31 C ATOM 1199 OG1 THR A 86 14.003 30.237 -1.268 1.00 63.51 O ATOM 1200 CG2 THR A 86 13.505 32.594 -1.115 1.00 12.41 C ATOM 0 H THR A 86 16.538 30.133 -3.067 1.00 12.44 H new ATOM 0 HA THR A 86 14.503 32.195 -3.416 1.00 25.41 H new ATOM 0 HB THR A 86 15.352 31.655 -0.601 1.00 63.31 H new ATOM 0 HG1 THR A 86 13.593 30.121 -0.385 1.00 63.51 H new ATOM 0 HG21 THR A 86 13.060 32.437 -0.132 1.00 12.41 H new ATOM 0 HG22 THR A 86 13.951 33.588 -1.157 1.00 12.41 H new ATOM 0 HG23 THR A 86 12.733 32.511 -1.880 1.00 12.41 H new ATOM 1208 N ASP A 87 16.179 33.964 -2.604 1.00 44.43 N ATOM 1209 CA ASP A 87 17.244 34.952 -2.473 1.00 65.23 C ATOM 1210 C ASP A 87 17.063 35.782 -1.207 1.00 12.34 C ATOM 1211 O ASP A 87 16.002 36.366 -0.981 1.00 65.02 O ATOM 1212 CB ASP A 87 17.274 35.867 -3.698 1.00 51.13 C ATOM 1213 CG ASP A 87 18.165 37.077 -3.496 1.00 21.30 C ATOM 1214 OD1 ASP A 87 19.317 36.897 -3.047 1.00 52.11 O ATOM 1215 OD2 ASP A 87 17.711 38.203 -3.787 1.00 64.14 O ATOM 0 H ASP A 87 15.244 34.361 -2.697 1.00 44.43 H new ATOM 0 HA ASP A 87 18.193 34.420 -2.404 1.00 65.23 H new ATOM 0 HB2 ASP A 87 17.624 35.302 -4.562 1.00 51.13 H new ATOM 0 HB3 ASP A 87 16.261 36.199 -3.924 1.00 51.13 H new ATOM 1220 N PHE A 88 18.104 35.830 -0.382 1.00 70.02 N ATOM 1221 CA PHE A 88 18.059 36.587 0.863 1.00 12.23 C ATOM 1222 C PHE A 88 19.235 37.555 0.954 1.00 21.14 C ATOM 1223 O PHE A 88 20.349 37.238 0.536 1.00 12.10 O ATOM 1224 CB PHE A 88 18.071 35.638 2.063 1.00 71.50 C ATOM 1225 CG PHE A 88 16.707 35.137 2.445 1.00 3.33 C ATOM 1226 CD1 PHE A 88 15.923 35.843 3.343 1.00 34.02 C ATOM 1227 CD2 PHE A 88 16.210 33.962 1.907 1.00 71.35 C ATOM 1228 CE1 PHE A 88 14.668 35.384 3.697 1.00 11.32 C ATOM 1229 CE2 PHE A 88 14.956 33.498 2.257 1.00 54.35 C ATOM 1230 CZ PHE A 88 14.183 34.211 3.152 1.00 2.33 C ATOM 0 H PHE A 88 18.989 35.353 -0.554 1.00 70.02 H new ATOM 0 HA PHE A 88 17.134 37.164 0.874 1.00 12.23 H new ATOM 0 HB2 PHE A 88 18.712 34.786 1.836 1.00 71.50 H new ATOM 0 HB3 PHE A 88 18.513 36.151 2.917 1.00 71.50 H new ATOM 0 HD1 PHE A 88 16.296 36.762 3.771 1.00 34.02 H new ATOM 0 HD2 PHE A 88 16.810 33.401 1.205 1.00 71.35 H new ATOM 0 HE1 PHE A 88 14.067 35.942 4.399 1.00 11.32 H new ATOM 0 HE2 PHE A 88 14.581 32.579 1.831 1.00 54.35 H new ATOM 0 HZ PHE A 88 13.202 33.852 3.425 1.00 2.33 H new ATOM 1240 N LYS A 89 18.979 38.737 1.504 1.00 44.30 N ATOM 1241 CA LYS A 89 20.015 39.753 1.652 1.00 61.12 C ATOM 1242 C LYS A 89 20.081 40.257 3.090 1.00 41.32 C ATOM 1243 O LYS A 89 19.171 40.940 3.561 1.00 24.23 O ATOM 1244 CB LYS A 89 19.750 40.923 0.701 1.00 24.24 C ATOM 1245 CG LYS A 89 20.987 41.391 -0.045 1.00 42.45 C ATOM 1246 CD LYS A 89 22.115 41.744 0.910 1.00 62.14 C ATOM 1247 CE LYS A 89 21.700 42.835 1.884 1.00 14.04 C ATOM 1248 NZ LYS A 89 22.678 43.958 1.910 1.00 32.44 N ATOM 0 H LYS A 89 18.063 39.015 1.855 1.00 44.30 H new ATOM 0 HA LYS A 89 20.973 39.299 1.401 1.00 61.12 H new ATOM 0 HB2 LYS A 89 18.990 40.628 -0.022 1.00 24.24 H new ATOM 0 HB3 LYS A 89 19.341 41.758 1.270 1.00 24.24 H new ATOM 0 HG2 LYS A 89 21.319 40.609 -0.728 1.00 42.45 H new ATOM 0 HG3 LYS A 89 20.739 42.261 -0.653 1.00 42.45 H new ATOM 0 HD2 LYS A 89 22.415 40.855 1.464 1.00 62.14 H new ATOM 0 HD3 LYS A 89 22.985 42.074 0.342 1.00 62.14 H new ATOM 0 HE2 LYS A 89 20.717 43.216 1.605 1.00 14.04 H new ATOM 0 HE3 LYS A 89 21.606 42.412 2.884 1.00 14.04 H new ATOM 0 HZ1 LYS A 89 22.359 44.681 2.586 1.00 32.44 H new ATOM 0 HZ2 LYS A 89 23.610 43.600 2.201 1.00 32.44 H new ATOM 0 HZ3 LYS A 89 22.749 44.379 0.961 1.00 32.44 H new ATOM 1262 N VAL A 90 21.164 39.918 3.782 1.00 1.31 N ATOM 1263 CA VAL A 90 21.350 40.339 5.166 1.00 51.24 C ATOM 1264 C VAL A 90 22.431 41.409 5.274 1.00 33.11 C ATOM 1265 O VAL A 90 23.556 41.221 4.809 1.00 15.12 O ATOM 1266 CB VAL A 90 21.728 39.150 6.068 1.00 31.32 C ATOM 1267 CG1 VAL A 90 23.000 38.482 5.568 1.00 52.44 C ATOM 1268 CG2 VAL A 90 21.887 39.606 7.511 1.00 63.43 C ATOM 0 H VAL A 90 21.926 39.353 3.407 1.00 1.31 H new ATOM 0 HA VAL A 90 20.399 40.752 5.502 1.00 51.24 H new ATOM 0 HB VAL A 90 20.923 38.417 6.029 1.00 31.32 H new ATOM 0 HG11 VAL A 90 23.251 37.644 6.218 1.00 52.44 H new ATOM 0 HG12 VAL A 90 22.845 38.119 4.552 1.00 52.44 H new ATOM 0 HG13 VAL A 90 23.817 39.204 5.575 1.00 52.44 H new ATOM 0 HG21 VAL A 90 22.154 38.753 8.135 1.00 63.43 H new ATOM 0 HG22 VAL A 90 22.673 40.359 7.570 1.00 63.43 H new ATOM 0 HG23 VAL A 90 20.948 40.033 7.863 1.00 63.43 H new ATOM 1278 N THR A 91 22.083 42.533 5.892 1.00 12.42 N ATOM 1279 CA THR A 91 23.022 43.634 6.062 1.00 44.41 C ATOM 1280 C THR A 91 23.684 43.587 7.435 1.00 75.53 C ATOM 1281 O THR A 91 23.310 42.779 8.285 1.00 13.30 O ATOM 1282 CB THR A 91 22.328 44.998 5.887 1.00 73.04 C ATOM 1283 OG1 THR A 91 21.144 44.847 5.095 1.00 63.43 O ATOM 1284 CG2 THR A 91 23.262 46.000 5.225 1.00 13.24 C ATOM 0 H THR A 91 21.157 42.705 6.283 1.00 12.42 H new ATOM 0 HA THR A 91 23.783 43.520 5.290 1.00 44.41 H new ATOM 0 HB THR A 91 22.059 45.373 6.874 1.00 73.04 H new ATOM 0 HG1 THR A 91 20.708 45.718 4.990 1.00 63.43 H new ATOM 0 HG21 THR A 91 22.750 46.955 5.112 1.00 13.24 H new ATOM 0 HG22 THR A 91 24.149 46.135 5.844 1.00 13.24 H new ATOM 0 HG23 THR A 91 23.558 45.629 4.244 1.00 13.24 H new ATOM 1292 N GLN A 92 24.667 44.456 7.644 1.00 54.24 N ATOM 1293 CA GLN A 92 25.379 44.512 8.914 1.00 23.14 C ATOM 1294 C GLN A 92 24.648 45.406 9.910 1.00 51.30 C ATOM 1295 O GLN A 92 24.337 46.560 9.612 1.00 2.23 O ATOM 1296 CB GLN A 92 26.805 45.024 8.702 1.00 52.52 C ATOM 1297 CG GLN A 92 27.815 44.431 9.670 1.00 4.21 C ATOM 1298 CD GLN A 92 29.246 44.604 9.199 1.00 71.41 C ATOM 1299 OE1 GLN A 92 30.010 43.640 9.132 1.00 50.33 O ATOM 1300 NE2 GLN A 92 29.616 45.835 8.869 1.00 5.42 N ATOM 0 H GLN A 92 24.988 45.131 6.950 1.00 54.24 H new ATOM 0 HA GLN A 92 25.420 43.502 9.323 1.00 23.14 H new ATOM 0 HB2 GLN A 92 27.116 44.797 7.682 1.00 52.52 H new ATOM 0 HB3 GLN A 92 26.811 46.109 8.803 1.00 52.52 H new ATOM 0 HG2 GLN A 92 27.698 44.903 10.646 1.00 4.21 H new ATOM 0 HG3 GLN A 92 27.606 43.369 9.802 1.00 4.21 H new ATOM 0 HE21 GLN A 92 28.950 46.604 8.940 1.00 5.42 H new ATOM 0 HE22 GLN A 92 30.567 46.012 8.544 1.00 5.42 H new