USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=12 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 54 GLN : amide:sc= 0.682 K(o=-2.4,f=-0.13) USER MOD Set 1.2: A 60 GLN : amide:sc= -3.11! K(o=-2.4!,f=-0.13) USER MOD Single : A 7 GLN : amide:sc= -0.0755 K(o=-0.076,f=-1.1) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 62:sc= 1.25 USER MOD Single : A 13 ASN : amide:sc= -0.988 K(o=-0.99,f=-11!) USER MOD Single : A 17 SER OG : rot 72:sc= 0.186 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.63! C(o=-2.6!,f=-7!) USER MOD Single : A 40 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.4) USER MOD Single : A 44 HIS : no HE2:sc= 0.459 K(o=0.46,f=-2.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0752 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 140:sc= -0.696 (180deg=-3.51!) USER MOD Single : A 56 HIS : no HD1:sc= 0.0117 X(o=0.012,f=-0.13) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.95 K(o=-0.95,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0927 USER MOD Single : A 75 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.12) USER MOD Single : A 79 GLN : amide:sc=0.000333 X(o=0.00033,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 133:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -8.737 -1.192 -4.207 1.00 2.01 N ATOM 58 CA GLU A 5 -9.726 -0.282 -4.751 1.00 1.95 C ATOM 59 C GLU A 5 -9.553 -0.203 -6.264 1.00 2.02 C ATOM 60 O GLU A 5 -8.680 0.505 -6.768 1.00 2.45 O ATOM 61 CB GLU A 5 -9.578 1.097 -4.106 1.00 2.25 C ATOM 62 CG GLU A 5 -10.894 1.823 -3.902 1.00 2.50 C ATOM 63 CD GLU A 5 -11.008 3.040 -4.787 1.00 3.01 C ATOM 64 OE1 GLU A 5 -11.274 2.880 -5.996 1.00 3.47 O ATOM 65 OE2 GLU A 5 -10.860 4.165 -4.275 1.00 3.44 O ATOM 0 HA GLU A 5 -10.729 -0.648 -4.531 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -9.082 0.985 -3.142 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -8.928 1.711 -4.729 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -11.720 1.143 -4.111 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -10.985 2.123 -2.858 1.00 2.50 H new ATOM 72 N ALA A 6 -10.371 -0.963 -6.978 1.00 1.93 N ATOM 73 CA ALA A 6 -10.237 -1.094 -8.422 1.00 2.21 C ATOM 74 C ALA A 6 -10.806 0.108 -9.171 1.00 1.87 C ATOM 75 O ALA A 6 -10.444 0.341 -10.324 1.00 2.34 O ATOM 76 CB ALA A 6 -10.914 -2.374 -8.892 1.00 3.01 C ATOM 0 H ALA A 6 -11.139 -1.501 -6.578 1.00 1.93 H new ATOM 0 HA ALA A 6 -9.171 -1.137 -8.647 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -10.810 -2.465 -9.973 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -10.446 -3.232 -8.409 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -11.972 -2.343 -8.631 1.00 3.01 H new ATOM 82 N GLN A 7 -11.695 0.856 -8.509 1.00 1.57 N ATOM 83 CA GLN A 7 -12.403 1.997 -9.116 1.00 1.65 C ATOM 84 C GLN A 7 -13.391 1.528 -10.185 1.00 1.53 C ATOM 85 O GLN A 7 -14.594 1.777 -10.089 1.00 1.80 O ATOM 86 CB GLN A 7 -11.421 3.009 -9.721 1.00 2.14 C ATOM 87 CG GLN A 7 -11.341 4.322 -8.959 1.00 2.64 C ATOM 88 CD GLN A 7 -12.686 4.805 -8.451 1.00 3.04 C ATOM 89 OE1 GLN A 7 -13.458 5.427 -9.184 1.00 3.51 O ATOM 90 NE2 GLN A 7 -12.976 4.524 -7.191 1.00 3.49 N ATOM 0 H GLN A 7 -11.947 0.690 -7.535 1.00 1.57 H new ATOM 0 HA GLN A 7 -12.958 2.490 -8.318 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -10.428 2.560 -9.757 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -11.715 3.215 -10.750 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -10.663 4.203 -8.114 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -10.910 5.085 -9.608 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -12.310 4.007 -6.617 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -13.866 4.824 -6.793 1.00 3.49 H new ATOM 99 N TYR A 8 -12.872 0.840 -11.195 1.00 1.48 N ATOM 100 CA TYR A 8 -13.685 0.322 -12.285 1.00 1.47 C ATOM 101 C TYR A 8 -14.484 -0.895 -11.836 1.00 1.56 C ATOM 102 O TYR A 8 -14.174 -2.029 -12.199 1.00 2.27 O ATOM 103 CB TYR A 8 -12.793 -0.051 -13.468 1.00 1.61 C ATOM 104 CG TYR A 8 -13.193 0.614 -14.764 1.00 1.62 C ATOM 105 CD1 TYR A 8 -13.212 1.997 -14.876 1.00 1.71 C ATOM 106 CD2 TYR A 8 -13.555 -0.140 -15.870 1.00 1.79 C ATOM 107 CE1 TYR A 8 -13.586 2.611 -16.057 1.00 1.89 C ATOM 108 CE2 TYR A 8 -13.928 0.463 -17.055 1.00 2.00 C ATOM 109 CZ TYR A 8 -13.913 1.839 -17.153 1.00 2.01 C ATOM 110 OH TYR A 8 -14.316 2.442 -18.324 1.00 2.32 O ATOM 0 H TYR A 8 -11.878 0.627 -11.280 1.00 1.48 H new ATOM 0 HA TYR A 8 -14.385 1.100 -12.590 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -11.763 0.219 -13.234 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -12.816 -1.132 -13.603 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -12.930 2.603 -14.028 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -13.545 -1.218 -15.803 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -13.622 3.688 -16.121 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -14.230 -0.139 -17.900 1.00 2.00 H new ATOM 0 HH TYR A 8 -14.507 1.755 -18.996 1.00 2.32 H new ATOM 120 N VAL A 9 -15.501 -0.651 -11.032 1.00 1.35 N ATOM 121 CA VAL A 9 -16.351 -1.714 -10.530 1.00 1.47 C ATOM 122 C VAL A 9 -17.817 -1.417 -10.840 1.00 1.51 C ATOM 123 O VAL A 9 -18.718 -2.146 -10.432 1.00 2.13 O ATOM 124 CB VAL A 9 -16.133 -1.906 -9.010 1.00 1.74 C ATOM 125 CG1 VAL A 9 -16.786 -0.783 -8.214 1.00 2.00 C ATOM 126 CG2 VAL A 9 -16.636 -3.268 -8.550 1.00 2.05 C ATOM 0 H VAL A 9 -15.760 0.282 -10.710 1.00 1.35 H new ATOM 0 HA VAL A 9 -16.081 -2.644 -11.031 1.00 1.47 H new ATOM 0 HB VAL A 9 -15.060 -1.867 -8.822 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -16.616 -0.945 -7.150 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -16.352 0.172 -8.509 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -17.858 -0.772 -8.413 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -16.470 -3.374 -7.478 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -17.702 -3.353 -8.762 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -16.097 -4.053 -9.080 1.00 2.05 H new ATOM 136 N ALA A 10 -18.042 -0.343 -11.587 1.00 1.41 N ATOM 137 CA ALA A 10 -19.387 0.053 -11.967 1.00 1.50 C ATOM 138 C ALA A 10 -19.819 -0.664 -13.241 1.00 1.34 C ATOM 139 O ALA A 10 -19.292 -0.393 -14.324 1.00 1.73 O ATOM 140 CB ALA A 10 -19.462 1.562 -12.152 1.00 2.09 C ATOM 0 H ALA A 10 -17.307 0.269 -11.941 1.00 1.41 H new ATOM 0 HA ALA A 10 -20.069 -0.233 -11.167 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -20.476 1.844 -12.437 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -19.197 2.057 -11.218 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -18.767 1.868 -12.934 1.00 2.09 H new ATOM 146 N PRO A 11 -20.766 -1.606 -13.124 1.00 1.24 N ATOM 147 CA PRO A 11 -21.280 -2.371 -14.253 1.00 1.52 C ATOM 148 C PRO A 11 -22.340 -1.596 -15.029 1.00 1.50 C ATOM 149 O PRO A 11 -22.574 -0.412 -14.775 1.00 1.83 O ATOM 150 CB PRO A 11 -21.902 -3.615 -13.597 1.00 1.87 C ATOM 151 CG PRO A 11 -21.656 -3.476 -12.125 1.00 1.88 C ATOM 152 CD PRO A 11 -21.413 -2.019 -11.877 1.00 1.45 C ATOM 0 HA PRO A 11 -20.499 -2.605 -14.977 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -22.969 -3.675 -13.810 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -21.448 -4.527 -13.983 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -22.513 -3.831 -11.552 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -20.797 -4.072 -11.816 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -22.340 -1.475 -11.698 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -20.773 -1.853 -11.010 1.00 1.45 H new ATOM 160 N THR A 12 -22.977 -2.264 -15.976 1.00 1.33 N ATOM 161 CA THR A 12 -24.016 -1.642 -16.779 1.00 1.44 C ATOM 162 C THR A 12 -25.348 -2.360 -16.595 1.00 1.40 C ATOM 163 O THR A 12 -26.381 -1.734 -16.330 1.00 1.90 O ATOM 164 CB THR A 12 -23.630 -1.655 -18.271 1.00 1.69 C ATOM 165 OG1 THR A 12 -22.407 -2.388 -18.452 1.00 1.79 O ATOM 166 CG2 THR A 12 -23.457 -0.239 -18.801 1.00 2.04 C ATOM 0 H THR A 12 -22.792 -3.240 -16.208 1.00 1.33 H new ATOM 0 HA THR A 12 -24.120 -0.610 -16.444 1.00 1.44 H new ATOM 0 HB THR A 12 -24.434 -2.138 -18.827 1.00 1.69 H new ATOM 0 HG1 THR A 12 -22.538 -3.317 -18.169 1.00 1.79 H new ATOM 0 HG21 THR A 12 -23.185 -0.276 -19.856 1.00 2.04 H new ATOM 0 HG22 THR A 12 -24.392 0.309 -18.687 1.00 2.04 H new ATOM 0 HG23 THR A 12 -22.670 0.266 -18.241 1.00 2.04 H new ATOM 174 N ASN A 13 -25.312 -3.675 -16.715 1.00 1.11 N ATOM 175 CA ASN A 13 -26.516 -4.489 -16.657 1.00 1.23 C ATOM 176 C ASN A 13 -26.679 -5.119 -15.267 1.00 1.03 C ATOM 177 O ASN A 13 -25.715 -5.218 -14.499 1.00 1.32 O ATOM 178 CB ASN A 13 -26.466 -5.540 -17.783 1.00 1.71 C ATOM 179 CG ASN A 13 -26.805 -6.951 -17.343 1.00 1.80 C ATOM 180 OD1 ASN A 13 -25.996 -7.629 -16.718 1.00 2.19 O ATOM 181 ND2 ASN A 13 -28.002 -7.409 -17.679 1.00 2.24 N ATOM 0 H ASN A 13 -24.453 -4.208 -16.855 1.00 1.11 H new ATOM 0 HA ASN A 13 -27.397 -3.867 -16.815 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -27.158 -5.243 -18.571 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -25.467 -5.539 -18.219 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -28.278 -8.356 -17.417 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -28.648 -6.815 -18.199 1.00 2.24 H new ATOM 188 N ALA A 14 -27.907 -5.520 -14.945 1.00 1.04 N ATOM 189 CA ALA A 14 -28.240 -6.052 -13.625 1.00 1.05 C ATOM 190 C ALA A 14 -27.441 -7.311 -13.294 1.00 0.96 C ATOM 191 O ALA A 14 -26.962 -7.467 -12.175 1.00 0.91 O ATOM 192 CB ALA A 14 -29.731 -6.340 -13.534 1.00 1.42 C ATOM 0 H ALA A 14 -28.697 -5.486 -15.589 1.00 1.04 H new ATOM 0 HA ALA A 14 -27.972 -5.292 -12.892 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -29.965 -6.736 -12.546 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -30.290 -5.419 -13.698 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -30.007 -7.072 -14.293 1.00 1.42 H new ATOM 198 N VAL A 15 -27.290 -8.198 -14.269 1.00 1.05 N ATOM 199 CA VAL A 15 -26.559 -9.448 -14.063 1.00 1.12 C ATOM 200 C VAL A 15 -25.088 -9.168 -13.751 1.00 0.97 C ATOM 201 O VAL A 15 -24.487 -9.820 -12.890 1.00 0.96 O ATOM 202 CB VAL A 15 -26.655 -10.377 -15.294 1.00 1.38 C ATOM 203 CG1 VAL A 15 -26.114 -11.763 -14.973 1.00 1.45 C ATOM 204 CG2 VAL A 15 -28.093 -10.471 -15.787 1.00 1.99 C ATOM 0 H VAL A 15 -27.663 -8.078 -15.211 1.00 1.05 H new ATOM 0 HA VAL A 15 -27.021 -9.953 -13.215 1.00 1.12 H new ATOM 0 HB VAL A 15 -26.044 -9.946 -16.087 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -26.193 -12.398 -15.856 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -25.069 -11.685 -14.674 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -26.693 -12.200 -14.159 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -28.138 -11.130 -16.654 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -28.724 -10.872 -14.994 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -28.447 -9.479 -16.066 1.00 1.99 H new ATOM 214 N GLU A 16 -24.525 -8.185 -14.450 1.00 0.95 N ATOM 215 CA GLU A 16 -23.154 -7.749 -14.214 1.00 0.94 C ATOM 216 C GLU A 16 -22.974 -7.316 -12.759 1.00 0.83 C ATOM 217 O GLU A 16 -21.983 -7.654 -12.112 1.00 0.86 O ATOM 218 CB GLU A 16 -22.802 -6.584 -15.150 1.00 1.06 C ATOM 219 CG GLU A 16 -22.492 -7.004 -16.580 1.00 1.37 C ATOM 220 CD GLU A 16 -22.824 -5.926 -17.601 1.00 1.45 C ATOM 221 OE1 GLU A 16 -22.842 -4.730 -17.227 1.00 1.53 O ATOM 222 OE2 GLU A 16 -23.065 -6.268 -18.780 1.00 1.93 O ATOM 0 H GLU A 16 -25.004 -7.672 -15.191 1.00 0.95 H new ATOM 0 HA GLU A 16 -22.486 -8.586 -14.417 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -23.633 -5.879 -15.162 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -21.940 -6.054 -14.744 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -21.435 -7.257 -16.658 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -23.054 -7.907 -16.818 1.00 1.37 H new ATOM 229 N SER A 17 -23.960 -6.588 -12.247 1.00 0.83 N ATOM 230 CA SER A 17 -23.914 -6.082 -10.882 1.00 0.89 C ATOM 231 C SER A 17 -24.186 -7.192 -9.865 1.00 0.85 C ATOM 232 O SER A 17 -23.658 -7.173 -8.753 1.00 0.88 O ATOM 233 CB SER A 17 -24.935 -4.954 -10.711 1.00 1.09 C ATOM 234 OG SER A 17 -24.948 -4.095 -11.843 1.00 1.48 O ATOM 0 H SER A 17 -24.804 -6.335 -12.760 1.00 0.83 H new ATOM 0 HA SER A 17 -22.911 -5.697 -10.698 1.00 0.89 H new ATOM 0 HB2 SER A 17 -25.928 -5.378 -10.562 1.00 1.09 H new ATOM 0 HB3 SER A 17 -24.697 -4.378 -9.817 1.00 1.09 H new ATOM 0 HG SER A 17 -25.366 -4.557 -12.600 1.00 1.48 H new ATOM 240 N LYS A 18 -25.001 -8.162 -10.261 1.00 0.85 N ATOM 241 CA LYS A 18 -25.405 -9.246 -9.376 1.00 0.92 C ATOM 242 C LYS A 18 -24.203 -10.068 -8.935 1.00 0.84 C ATOM 243 O LYS A 18 -23.943 -10.212 -7.739 1.00 0.85 O ATOM 244 CB LYS A 18 -26.425 -10.147 -10.078 1.00 1.07 C ATOM 245 CG LYS A 18 -27.828 -10.037 -9.504 1.00 1.38 C ATOM 246 CD LYS A 18 -28.003 -10.930 -8.287 1.00 1.76 C ATOM 247 CE LYS A 18 -28.585 -10.161 -7.114 1.00 2.42 C ATOM 248 NZ LYS A 18 -29.428 -11.027 -6.249 1.00 2.96 N ATOM 0 H LYS A 18 -25.398 -8.219 -11.199 1.00 0.85 H new ATOM 0 HA LYS A 18 -25.863 -8.807 -8.490 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -26.454 -9.893 -11.138 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -26.092 -11.183 -10.007 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -28.030 -9.002 -9.229 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -28.557 -10.312 -10.266 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -28.658 -11.765 -8.538 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -27.040 -11.354 -8.004 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -27.776 -9.734 -6.522 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -29.182 -9.328 -7.486 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -29.807 -10.466 -5.460 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -30.215 -11.414 -6.808 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -28.853 -11.808 -5.874 1.00 2.96 H new ATOM 262 N LEU A 19 -23.461 -10.584 -9.905 1.00 0.82 N ATOM 263 CA LEU A 19 -22.303 -11.419 -9.615 1.00 0.84 C ATOM 264 C LEU A 19 -21.201 -10.598 -8.957 1.00 0.80 C ATOM 265 O LEU A 19 -20.461 -11.105 -8.117 1.00 0.82 O ATOM 266 CB LEU A 19 -21.790 -12.086 -10.893 1.00 0.96 C ATOM 267 CG LEU A 19 -22.443 -13.431 -11.224 1.00 1.16 C ATOM 268 CD1 LEU A 19 -22.145 -13.835 -12.659 1.00 1.73 C ATOM 269 CD2 LEU A 19 -21.967 -14.506 -10.259 1.00 1.81 C ATOM 0 H LEU A 19 -23.640 -10.439 -10.899 1.00 0.82 H new ATOM 0 HA LEU A 19 -22.608 -12.200 -8.919 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.949 -11.406 -11.730 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -20.714 -12.234 -10.802 1.00 0.96 H new ATOM 0 HG LEU A 19 -23.522 -13.322 -11.116 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -22.618 -14.793 -12.873 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -22.535 -13.078 -13.339 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -21.067 -13.924 -12.796 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -22.441 -15.455 -10.509 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -20.885 -14.610 -10.335 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -22.234 -14.224 -9.240 1.00 1.81 H new ATOM 281 N ALA A 20 -21.110 -9.327 -9.331 1.00 0.82 N ATOM 282 CA ALA A 20 -20.139 -8.423 -8.728 1.00 0.91 C ATOM 283 C ALA A 20 -20.386 -8.289 -7.228 1.00 0.84 C ATOM 284 O ALA A 20 -19.481 -8.500 -6.422 1.00 0.87 O ATOM 285 CB ALA A 20 -20.193 -7.057 -9.398 1.00 1.08 C ATOM 0 H ALA A 20 -21.696 -8.900 -10.048 1.00 0.82 H new ATOM 0 HA ALA A 20 -19.144 -8.843 -8.877 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -19.461 -6.395 -8.935 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -19.966 -7.163 -10.459 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -21.190 -6.633 -9.281 1.00 1.08 H new ATOM 291 N GLU A 21 -21.625 -7.960 -6.867 1.00 0.85 N ATOM 292 CA GLU A 21 -22.013 -7.806 -5.467 1.00 0.94 C ATOM 293 C GLU A 21 -21.716 -9.073 -4.674 1.00 0.84 C ATOM 294 O GLU A 21 -21.076 -9.024 -3.623 1.00 0.85 O ATOM 295 CB GLU A 21 -23.504 -7.485 -5.362 1.00 1.13 C ATOM 296 CG GLU A 21 -23.807 -6.001 -5.300 1.00 1.72 C ATOM 297 CD GLU A 21 -23.459 -5.388 -3.960 1.00 2.05 C ATOM 298 OE1 GLU A 21 -23.856 -5.949 -2.919 1.00 2.14 O ATOM 299 OE2 GLU A 21 -22.796 -4.334 -3.943 1.00 2.69 O ATOM 0 H GLU A 21 -22.382 -7.794 -7.530 1.00 0.85 H new ATOM 0 HA GLU A 21 -21.431 -6.984 -5.050 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -24.020 -7.916 -6.220 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -23.908 -7.966 -4.471 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -23.251 -5.488 -6.085 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -24.866 -5.842 -5.503 1.00 1.72 H new ATOM 306 N ILE A 22 -22.181 -10.202 -5.197 1.00 0.83 N ATOM 307 CA ILE A 22 -22.015 -11.485 -4.530 1.00 0.91 C ATOM 308 C ILE A 22 -20.538 -11.807 -4.316 1.00 0.82 C ATOM 309 O ILE A 22 -20.109 -12.076 -3.194 1.00 0.86 O ATOM 310 CB ILE A 22 -22.683 -12.628 -5.333 1.00 1.09 C ATOM 311 CG1 ILE A 22 -24.207 -12.457 -5.341 1.00 1.25 C ATOM 312 CG2 ILE A 22 -22.306 -13.986 -4.756 1.00 1.40 C ATOM 313 CD1 ILE A 22 -24.894 -13.219 -6.456 1.00 1.91 C ATOM 0 H ILE A 22 -22.678 -10.253 -6.086 1.00 0.83 H new ATOM 0 HA ILE A 22 -22.505 -11.407 -3.559 1.00 0.91 H new ATOM 0 HB ILE A 22 -22.321 -12.580 -6.360 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -24.607 -12.790 -4.383 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -24.445 -11.398 -5.435 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -22.787 -14.774 -5.336 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -21.224 -14.112 -4.799 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -22.637 -14.045 -3.719 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -25.970 -13.053 -6.401 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -24.521 -12.870 -7.419 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -24.686 -14.284 -6.351 1.00 1.91 H new ATOM 325 N TRP A 23 -19.759 -11.745 -5.387 1.00 0.79 N ATOM 326 CA TRP A 23 -18.356 -12.125 -5.326 1.00 0.84 C ATOM 327 C TRP A 23 -17.569 -11.202 -4.403 1.00 0.82 C ATOM 328 O TRP A 23 -16.757 -11.667 -3.603 1.00 0.94 O ATOM 329 CB TRP A 23 -17.740 -12.128 -6.725 1.00 0.90 C ATOM 330 CG TRP A 23 -17.935 -13.426 -7.450 1.00 0.98 C ATOM 331 CD1 TRP A 23 -18.584 -13.616 -8.634 1.00 1.26 C ATOM 332 CD2 TRP A 23 -17.483 -14.719 -7.027 1.00 0.95 C ATOM 333 NE1 TRP A 23 -18.558 -14.945 -8.979 1.00 1.33 N ATOM 334 CE2 TRP A 23 -17.890 -15.642 -8.008 1.00 1.14 C ATOM 335 CE3 TRP A 23 -16.772 -15.185 -5.915 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -17.610 -17.003 -7.909 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -16.496 -16.536 -5.820 1.00 1.16 C ATOM 338 CH2 TRP A 23 -16.915 -17.431 -6.810 1.00 1.24 C ATOM 0 H TRP A 23 -20.075 -11.436 -6.306 1.00 0.79 H new ATOM 0 HA TRP A 23 -18.303 -13.134 -4.916 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -18.180 -11.321 -7.311 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -16.673 -11.919 -6.646 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -19.051 -12.835 -9.216 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -18.969 -15.347 -9.821 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -16.445 -14.501 -5.145 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -17.930 -17.696 -8.673 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -15.947 -16.907 -4.967 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -16.686 -18.481 -6.705 1.00 1.24 H new ATOM 349 N GLU A 24 -17.829 -9.902 -4.499 1.00 0.80 N ATOM 350 CA GLU A 24 -17.121 -8.913 -3.694 1.00 0.93 C ATOM 351 C GLU A 24 -17.334 -9.162 -2.200 1.00 0.90 C ATOM 352 O GLU A 24 -16.382 -9.143 -1.420 1.00 1.04 O ATOM 353 CB GLU A 24 -17.582 -7.499 -4.074 1.00 1.20 C ATOM 354 CG GLU A 24 -17.356 -6.449 -2.996 1.00 1.75 C ATOM 355 CD GLU A 24 -15.991 -5.793 -3.083 1.00 2.29 C ATOM 356 OE1 GLU A 24 -15.380 -5.837 -4.172 1.00 2.65 O ATOM 357 OE2 GLU A 24 -15.519 -5.240 -2.066 1.00 2.78 O ATOM 0 H GLU A 24 -18.528 -9.508 -5.129 1.00 0.80 H new ATOM 0 HA GLU A 24 -16.054 -9.006 -3.898 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -17.058 -7.191 -4.979 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -18.644 -7.530 -4.316 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -18.127 -5.683 -3.076 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -17.468 -6.913 -2.016 1.00 1.75 H new ATOM 364 N ARG A 25 -18.575 -9.430 -1.814 1.00 0.97 N ATOM 365 CA ARG A 25 -18.917 -9.568 -0.401 1.00 1.16 C ATOM 366 C ARG A 25 -18.581 -10.959 0.145 1.00 1.21 C ATOM 367 O ARG A 25 -18.441 -11.138 1.356 1.00 1.50 O ATOM 368 CB ARG A 25 -20.403 -9.261 -0.185 1.00 1.41 C ATOM 369 CG ARG A 25 -21.348 -10.368 -0.643 1.00 1.99 C ATOM 370 CD ARG A 25 -22.737 -9.829 -0.960 1.00 2.67 C ATOM 371 NE ARG A 25 -23.112 -8.728 -0.075 1.00 3.12 N ATOM 372 CZ ARG A 25 -24.329 -8.550 0.432 1.00 3.67 C ATOM 373 NH1 ARG A 25 -25.332 -9.340 0.067 1.00 3.90 N ATOM 374 NH2 ARG A 25 -24.542 -7.558 1.288 1.00 4.40 N ATOM 0 H ARG A 25 -19.359 -9.556 -2.454 1.00 0.97 H new ATOM 0 HA ARG A 25 -18.312 -8.849 0.151 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -20.572 -9.071 0.875 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -20.653 -8.343 -0.717 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -20.936 -10.855 -1.527 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -21.422 -11.128 0.135 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -22.766 -9.488 -1.995 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -23.467 -10.633 -0.868 1.00 2.67 H new ATOM 0 HE ARG A 25 -22.391 -8.050 0.171 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -25.172 -10.089 -0.606 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -26.262 -9.198 0.460 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -23.776 -6.939 1.552 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -25.472 -7.415 1.681 1.00 4.40 H new ATOM 388 N VAL A 26 -18.452 -11.939 -0.740 1.00 1.11 N ATOM 389 CA VAL A 26 -18.224 -13.315 -0.314 1.00 1.34 C ATOM 390 C VAL A 26 -16.739 -13.685 -0.354 1.00 1.36 C ATOM 391 O VAL A 26 -16.183 -14.163 0.638 1.00 1.78 O ATOM 392 CB VAL A 26 -19.036 -14.311 -1.181 1.00 1.54 C ATOM 393 CG1 VAL A 26 -18.526 -15.737 -1.019 1.00 2.01 C ATOM 394 CG2 VAL A 26 -20.516 -14.236 -0.830 1.00 1.66 C ATOM 0 H VAL A 26 -18.501 -11.809 -1.751 1.00 1.11 H new ATOM 0 HA VAL A 26 -18.565 -13.385 0.719 1.00 1.34 H new ATOM 0 HB VAL A 26 -18.904 -14.026 -2.225 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -19.118 -16.408 -1.641 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -17.481 -15.787 -1.325 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -18.613 -16.038 0.025 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -21.073 -14.941 -1.447 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -20.654 -14.487 0.222 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -20.883 -13.226 -1.013 1.00 1.66 H new ATOM 404 N LEU A 27 -16.097 -13.455 -1.492 1.00 1.20 N ATOM 405 CA LEU A 27 -14.717 -13.887 -1.677 1.00 1.40 C ATOM 406 C LEU A 27 -13.774 -12.708 -1.884 1.00 1.42 C ATOM 407 O LEU A 27 -12.606 -12.774 -1.503 1.00 1.89 O ATOM 408 CB LEU A 27 -14.619 -14.839 -2.869 1.00 1.51 C ATOM 409 CG LEU A 27 -13.553 -15.928 -2.744 1.00 2.02 C ATOM 410 CD1 LEU A 27 -14.201 -17.283 -2.509 1.00 2.17 C ATOM 411 CD2 LEU A 27 -12.680 -15.960 -3.990 1.00 2.85 C ATOM 0 H LEU A 27 -16.505 -12.976 -2.295 1.00 1.20 H new ATOM 0 HA LEU A 27 -14.413 -14.403 -0.767 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -15.588 -15.316 -3.014 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -14.415 -14.254 -3.766 1.00 1.51 H new ATOM 0 HG LEU A 27 -12.921 -15.698 -1.886 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -13.428 -18.046 -2.422 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -14.785 -17.252 -1.589 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -14.856 -17.523 -3.347 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -11.926 -16.740 -3.886 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -13.299 -16.168 -4.863 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -12.189 -14.995 -4.115 1.00 2.85 H new ATOM 423 N GLY A 28 -14.287 -11.642 -2.496 1.00 1.29 N ATOM 424 CA GLY A 28 -13.470 -10.475 -2.794 1.00 1.52 C ATOM 425 C GLY A 28 -12.855 -9.860 -1.555 1.00 1.37 C ATOM 426 O GLY A 28 -11.653 -10.001 -1.325 1.00 1.73 O ATOM 0 H GLY A 28 -15.260 -11.566 -2.793 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -12.677 -10.759 -3.486 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -14.082 -9.728 -3.300 1.00 1.52 H new ATOM 430 N VAL A 29 -13.683 -9.178 -0.764 1.00 1.31 N ATOM 431 CA VAL A 29 -13.257 -8.557 0.493 1.00 1.31 C ATOM 432 C VAL A 29 -12.323 -7.366 0.255 1.00 1.43 C ATOM 433 O VAL A 29 -12.662 -6.232 0.589 1.00 1.90 O ATOM 434 CB VAL A 29 -12.580 -9.580 1.436 1.00 1.49 C ATOM 435 CG1 VAL A 29 -12.119 -8.917 2.727 1.00 1.78 C ATOM 436 CG2 VAL A 29 -13.535 -10.725 1.738 1.00 1.92 C ATOM 0 H VAL A 29 -14.671 -9.039 -0.976 1.00 1.31 H new ATOM 0 HA VAL A 29 -14.162 -8.189 0.976 1.00 1.31 H new ATOM 0 HB VAL A 29 -11.699 -9.977 0.931 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -11.647 -9.660 3.370 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -11.402 -8.130 2.496 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -12.978 -8.486 3.241 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -13.048 -11.439 2.402 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -14.431 -10.334 2.219 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -13.811 -11.224 0.809 1.00 1.92 H new ATOM 446 N SER A 30 -11.158 -7.625 -0.325 1.00 1.40 N ATOM 447 CA SER A 30 -10.204 -6.571 -0.636 1.00 1.56 C ATOM 448 C SER A 30 -10.761 -5.642 -1.714 1.00 1.53 C ATOM 449 O SER A 30 -10.498 -4.440 -1.711 1.00 2.21 O ATOM 450 CB SER A 30 -8.876 -7.184 -1.089 1.00 1.76 C ATOM 451 OG SER A 30 -8.460 -8.208 -0.195 1.00 1.94 O ATOM 0 H SER A 30 -10.851 -8.561 -0.590 1.00 1.40 H new ATOM 0 HA SER A 30 -10.030 -5.981 0.264 1.00 1.56 H new ATOM 0 HB2 SER A 30 -8.984 -7.594 -2.093 1.00 1.76 H new ATOM 0 HB3 SER A 30 -8.112 -6.409 -1.141 1.00 1.76 H new ATOM 0 HG SER A 30 -7.611 -8.587 -0.504 1.00 1.94 H new ATOM 457 N GLY A 31 -11.550 -6.204 -2.619 1.00 1.30 N ATOM 458 CA GLY A 31 -12.161 -5.410 -3.664 1.00 1.27 C ATOM 459 C GLY A 31 -12.036 -6.050 -5.032 1.00 1.21 C ATOM 460 O GLY A 31 -10.943 -6.438 -5.451 1.00 1.58 O ATOM 0 H GLY A 31 -11.778 -7.198 -2.647 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -13.216 -5.261 -3.432 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -11.696 -4.424 -3.685 1.00 1.27 H new ATOM 464 N ILE A 32 -13.158 -6.189 -5.717 1.00 1.13 N ATOM 465 CA ILE A 32 -13.158 -6.701 -7.077 1.00 1.29 C ATOM 466 C ILE A 32 -13.370 -5.568 -8.075 1.00 1.38 C ATOM 467 O ILE A 32 -13.650 -4.432 -7.686 1.00 2.01 O ATOM 468 CB ILE A 32 -14.237 -7.784 -7.287 1.00 1.71 C ATOM 469 CG1 ILE A 32 -15.640 -7.188 -7.148 1.00 2.68 C ATOM 470 CG2 ILE A 32 -14.042 -8.926 -6.299 1.00 2.03 C ATOM 471 CD1 ILE A 32 -16.570 -7.557 -8.281 1.00 3.56 C ATOM 0 H ILE A 32 -14.082 -5.954 -5.354 1.00 1.13 H new ATOM 0 HA ILE A 32 -12.183 -7.159 -7.246 1.00 1.29 H new ATOM 0 HB ILE A 32 -14.134 -8.178 -8.298 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -16.076 -7.523 -6.207 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -15.561 -6.102 -7.093 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -14.811 -9.682 -6.460 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -13.058 -9.372 -6.448 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -14.117 -8.543 -5.281 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -17.545 -7.099 -8.115 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -16.156 -7.198 -9.223 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -16.680 -8.641 -8.323 1.00 3.56 H new ATOM 483 N GLY A 33 -13.231 -5.878 -9.355 1.00 1.59 N ATOM 484 CA GLY A 33 -13.411 -4.881 -10.388 1.00 1.93 C ATOM 485 C GLY A 33 -13.696 -5.512 -11.734 1.00 1.81 C ATOM 486 O GLY A 33 -13.442 -6.703 -11.924 1.00 2.28 O ATOM 0 H GLY A 33 -12.995 -6.809 -9.698 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -14.233 -4.219 -10.115 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -12.515 -4.264 -10.458 1.00 1.93 H new ATOM 490 N ILE A 34 -14.208 -4.721 -12.668 1.00 1.73 N ATOM 491 CA ILE A 34 -14.558 -5.226 -13.994 1.00 1.78 C ATOM 492 C ILE A 34 -13.395 -5.053 -14.964 1.00 1.93 C ATOM 493 O ILE A 34 -13.438 -5.530 -16.098 1.00 2.58 O ATOM 494 CB ILE A 34 -15.804 -4.514 -14.577 1.00 1.94 C ATOM 495 CG1 ILE A 34 -16.691 -3.943 -13.457 1.00 2.07 C ATOM 496 CG2 ILE A 34 -16.600 -5.467 -15.461 1.00 2.43 C ATOM 497 CD1 ILE A 34 -17.536 -4.980 -12.737 1.00 2.67 C ATOM 0 H ILE A 34 -14.391 -3.727 -12.534 1.00 1.73 H new ATOM 0 HA ILE A 34 -14.786 -6.285 -13.872 1.00 1.78 H new ATOM 0 HB ILE A 34 -15.460 -3.680 -15.189 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -16.056 -3.440 -12.728 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -17.350 -3.186 -13.882 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -17.472 -4.949 -15.862 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -15.972 -5.811 -16.283 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -16.926 -6.324 -14.871 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -18.130 -4.492 -11.964 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -18.200 -5.468 -13.451 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -16.885 -5.725 -12.279 1.00 2.67 H new ATOM 509 N LEU A 35 -12.355 -4.360 -14.523 1.00 1.70 N ATOM 510 CA LEU A 35 -11.190 -4.134 -15.365 1.00 1.89 C ATOM 511 C LEU A 35 -10.199 -5.289 -15.233 1.00 1.85 C ATOM 512 O LEU A 35 -9.669 -5.778 -16.231 1.00 2.19 O ATOM 513 CB LEU A 35 -10.525 -2.791 -15.014 1.00 2.03 C ATOM 514 CG LEU A 35 -9.536 -2.819 -13.844 1.00 1.96 C ATOM 515 CD1 LEU A 35 -8.367 -1.884 -14.110 1.00 2.44 C ATOM 516 CD2 LEU A 35 -10.231 -2.443 -12.545 1.00 2.46 C ATOM 0 H LEU A 35 -12.294 -3.947 -13.592 1.00 1.70 H new ATOM 0 HA LEU A 35 -11.516 -4.089 -16.404 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -10.002 -2.425 -15.898 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -11.309 -2.069 -14.785 1.00 2.03 H new ATOM 0 HG LEU A 35 -9.151 -3.834 -13.747 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -7.675 -1.917 -13.268 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -7.850 -2.197 -15.017 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -8.736 -0.866 -14.236 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -9.511 -2.469 -11.727 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -10.646 -1.439 -12.632 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -11.035 -3.151 -12.344 1.00 2.46 H new ATOM 528 N ASP A 36 -9.982 -5.735 -14.002 1.00 1.95 N ATOM 529 CA ASP A 36 -9.024 -6.795 -13.706 1.00 2.14 C ATOM 530 C ASP A 36 -9.116 -7.152 -12.234 1.00 1.49 C ATOM 531 O ASP A 36 -9.649 -6.373 -11.437 1.00 1.80 O ATOM 532 CB ASP A 36 -7.597 -6.349 -14.046 1.00 3.20 C ATOM 533 CG ASP A 36 -6.630 -7.512 -14.195 1.00 3.75 C ATOM 534 OD1 ASP A 36 -6.901 -8.414 -15.017 1.00 4.20 O ATOM 535 OD2 ASP A 36 -5.606 -7.543 -13.478 1.00 4.01 O ATOM 0 H ASP A 36 -10.465 -5.373 -13.180 1.00 1.95 H new ATOM 0 HA ASP A 36 -9.262 -7.667 -14.314 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -7.613 -5.776 -14.973 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -7.235 -5.681 -13.264 1.00 3.20 H new ATOM 540 N ASN A 37 -8.610 -8.320 -11.873 1.00 1.38 N ATOM 541 CA ASN A 37 -8.640 -8.774 -10.490 1.00 1.74 C ATOM 542 C ASN A 37 -7.774 -10.013 -10.325 1.00 1.40 C ATOM 543 O ASN A 37 -7.417 -10.654 -11.307 1.00 1.90 O ATOM 544 CB ASN A 37 -10.075 -9.080 -10.056 1.00 2.65 C ATOM 545 CG ASN A 37 -10.223 -9.107 -8.548 1.00 3.55 C ATOM 546 OD1 ASN A 37 -10.210 -10.172 -7.934 1.00 4.12 O ATOM 547 ND2 ASN A 37 -10.353 -7.937 -7.946 1.00 4.13 N ATOM 0 H ASN A 37 -8.171 -8.974 -12.521 1.00 1.38 H new ATOM 0 HA ASN A 37 -8.246 -7.978 -9.858 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -10.747 -8.329 -10.472 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -10.380 -10.043 -10.467 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -10.448 -7.893 -6.931 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -10.358 -7.078 -8.496 1.00 4.13 H new ATOM 554 N PHE A 38 -7.443 -10.347 -9.085 1.00 1.23 N ATOM 555 CA PHE A 38 -6.613 -11.511 -8.799 1.00 1.41 C ATOM 556 C PHE A 38 -7.429 -12.798 -8.903 1.00 1.51 C ATOM 557 O PHE A 38 -6.885 -13.874 -9.147 1.00 2.27 O ATOM 558 CB PHE A 38 -5.985 -11.396 -7.403 1.00 1.89 C ATOM 559 CG PHE A 38 -6.883 -10.765 -6.368 1.00 1.43 C ATOM 560 CD1 PHE A 38 -7.822 -11.524 -5.688 1.00 1.78 C ATOM 561 CD2 PHE A 38 -6.780 -9.415 -6.071 1.00 1.62 C ATOM 562 CE1 PHE A 38 -8.641 -10.950 -4.735 1.00 1.88 C ATOM 563 CE2 PHE A 38 -7.596 -8.835 -5.120 1.00 2.03 C ATOM 564 CZ PHE A 38 -8.529 -9.603 -4.452 1.00 1.97 C ATOM 0 H PHE A 38 -7.737 -9.827 -8.258 1.00 1.23 H new ATOM 0 HA PHE A 38 -5.815 -11.546 -9.541 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -5.701 -12.392 -7.062 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -5.068 -10.811 -7.477 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -7.915 -12.578 -5.906 1.00 1.78 H new ATOM 0 HD2 PHE A 38 -6.052 -8.809 -6.590 1.00 1.62 H new ATOM 0 HE1 PHE A 38 -9.368 -11.554 -4.212 1.00 1.88 H new ATOM 0 HE2 PHE A 38 -7.505 -7.782 -4.899 1.00 2.03 H new ATOM 0 HZ PHE A 38 -9.170 -9.151 -3.710 1.00 1.97 H new ATOM 574 N PHE A 39 -8.735 -12.677 -8.712 1.00 1.24 N ATOM 575 CA PHE A 39 -9.624 -13.829 -8.739 1.00 1.51 C ATOM 576 C PHE A 39 -10.113 -14.112 -10.160 1.00 1.25 C ATOM 577 O PHE A 39 -10.290 -15.266 -10.547 1.00 1.22 O ATOM 578 CB PHE A 39 -10.812 -13.585 -7.798 1.00 2.01 C ATOM 579 CG PHE A 39 -12.034 -14.410 -8.105 1.00 1.77 C ATOM 580 CD1 PHE A 39 -12.111 -15.735 -7.708 1.00 1.63 C ATOM 581 CD2 PHE A 39 -13.105 -13.858 -8.792 1.00 1.94 C ATOM 582 CE1 PHE A 39 -13.231 -16.492 -7.990 1.00 1.63 C ATOM 583 CE2 PHE A 39 -14.226 -14.612 -9.078 1.00 1.93 C ATOM 584 CZ PHE A 39 -14.288 -15.930 -8.676 1.00 1.75 C ATOM 0 H PHE A 39 -9.204 -11.788 -8.536 1.00 1.24 H new ATOM 0 HA PHE A 39 -9.072 -14.705 -8.398 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -10.497 -13.792 -6.775 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -11.082 -12.530 -7.841 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -11.286 -16.181 -7.172 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -13.062 -12.826 -9.107 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -13.280 -17.524 -7.674 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -15.052 -14.171 -9.615 1.00 1.93 H new ATOM 0 HZ PHE A 39 -15.164 -16.522 -8.898 1.00 1.75 H new ATOM 594 N GLN A 40 -10.294 -13.055 -10.946 1.00 1.25 N ATOM 595 CA GLN A 40 -10.903 -13.172 -12.271 1.00 1.25 C ATOM 596 C GLN A 40 -9.874 -13.553 -13.337 1.00 1.28 C ATOM 597 O GLN A 40 -9.975 -13.132 -14.490 1.00 1.93 O ATOM 598 CB GLN A 40 -11.592 -11.859 -12.650 1.00 1.46 C ATOM 599 CG GLN A 40 -12.599 -11.376 -11.618 1.00 1.85 C ATOM 600 CD GLN A 40 -13.902 -10.916 -12.240 1.00 1.75 C ATOM 601 OE1 GLN A 40 -13.917 -10.075 -13.137 1.00 2.39 O ATOM 602 NE2 GLN A 40 -15.011 -11.465 -11.766 1.00 1.80 N ATOM 0 H GLN A 40 -10.028 -12.104 -10.689 1.00 1.25 H new ATOM 0 HA GLN A 40 -11.643 -13.971 -12.226 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -10.834 -11.089 -12.792 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -12.099 -11.988 -13.606 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -12.803 -12.181 -10.912 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -12.164 -10.555 -11.049 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -14.958 -12.160 -11.021 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -15.918 -11.193 -12.146 1.00 1.80 H new ATOM 611 N ILE A 41 -8.889 -14.349 -12.943 1.00 1.12 N ATOM 612 CA ILE A 41 -7.877 -14.855 -13.867 1.00 1.27 C ATOM 613 C ILE A 41 -7.361 -16.202 -13.376 1.00 1.35 C ATOM 614 O ILE A 41 -8.141 -17.111 -13.087 1.00 1.77 O ATOM 615 CB ILE A 41 -6.679 -13.885 -14.037 1.00 1.70 C ATOM 616 CG1 ILE A 41 -6.409 -13.116 -12.743 1.00 2.36 C ATOM 617 CG2 ILE A 41 -6.928 -12.922 -15.188 1.00 2.27 C ATOM 618 CD1 ILE A 41 -4.941 -12.853 -12.494 1.00 3.23 C ATOM 0 H ILE A 41 -8.767 -14.662 -11.980 1.00 1.12 H new ATOM 0 HA ILE A 41 -8.358 -14.956 -14.840 1.00 1.27 H new ATOM 0 HB ILE A 41 -5.795 -14.479 -14.269 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -6.940 -12.165 -12.777 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -6.817 -13.679 -11.903 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -6.076 -12.250 -15.291 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -7.059 -13.485 -16.112 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -7.827 -12.340 -14.987 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -4.823 -12.304 -11.560 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -4.408 -13.801 -12.427 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -4.533 -12.264 -13.315 1.00 3.23 H new ATOM 630 N GLY A 42 -6.047 -16.319 -13.259 1.00 1.60 N ATOM 631 CA GLY A 42 -5.451 -17.538 -12.756 1.00 1.96 C ATOM 632 C GLY A 42 -5.403 -17.562 -11.243 1.00 1.64 C ATOM 633 O GLY A 42 -4.343 -17.759 -10.651 1.00 2.06 O ATOM 0 H GLY A 42 -5.380 -15.587 -13.505 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -6.021 -18.395 -13.115 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -4.441 -17.638 -13.153 1.00 1.96 H new ATOM 637 N GLY A 43 -6.551 -17.355 -10.622 1.00 1.60 N ATOM 638 CA GLY A 43 -6.629 -17.351 -9.178 1.00 1.92 C ATOM 639 C GLY A 43 -7.876 -18.048 -8.686 1.00 1.62 C ATOM 640 O GLY A 43 -8.673 -17.471 -7.949 1.00 2.17 O ATOM 0 H GLY A 43 -7.438 -17.188 -11.097 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -5.749 -17.844 -8.764 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -6.619 -16.323 -8.815 1.00 1.92 H new ATOM 644 N HIS A 44 -8.047 -19.293 -9.109 1.00 1.25 N ATOM 645 CA HIS A 44 -9.220 -20.070 -8.737 1.00 1.22 C ATOM 646 C HIS A 44 -9.136 -20.514 -7.279 1.00 1.13 C ATOM 647 O HIS A 44 -8.085 -20.961 -6.819 1.00 1.36 O ATOM 648 CB HIS A 44 -9.387 -21.285 -9.673 1.00 1.54 C ATOM 649 CG HIS A 44 -8.601 -22.509 -9.278 1.00 1.39 C ATOM 650 ND1 HIS A 44 -9.069 -23.452 -8.386 1.00 1.94 N ATOM 651 CD2 HIS A 44 -7.369 -22.934 -9.656 1.00 1.92 C ATOM 652 CE1 HIS A 44 -8.167 -24.402 -8.237 1.00 2.26 C ATOM 653 NE2 HIS A 44 -7.129 -24.113 -8.996 1.00 2.26 N ATOM 0 H HIS A 44 -7.387 -19.786 -9.711 1.00 1.25 H new ATOM 0 HA HIS A 44 -10.099 -19.434 -8.845 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -10.444 -21.549 -9.715 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -9.091 -20.992 -10.680 1.00 1.54 H new ATOM 0 HD1 HIS A 44 -9.973 -23.419 -7.915 1.00 1.94 H new ATOM 0 HD2 HIS A 44 -6.703 -22.438 -10.346 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -8.262 -25.270 -7.601 1.00 2.26 H new ATOM 662 N SER A 45 -10.235 -20.375 -6.560 1.00 1.01 N ATOM 663 CA SER A 45 -10.314 -20.851 -5.194 1.00 1.10 C ATOM 664 C SER A 45 -10.618 -22.349 -5.172 1.00 1.13 C ATOM 665 O SER A 45 -10.907 -22.949 -6.211 1.00 1.31 O ATOM 666 CB SER A 45 -11.400 -20.077 -4.452 1.00 1.19 C ATOM 667 OG SER A 45 -11.976 -19.097 -5.300 1.00 1.19 O ATOM 0 H SER A 45 -11.088 -19.934 -6.903 1.00 1.01 H new ATOM 0 HA SER A 45 -9.356 -20.690 -4.699 1.00 1.10 H new ATOM 0 HB2 SER A 45 -12.171 -20.764 -4.103 1.00 1.19 H new ATOM 0 HB3 SER A 45 -10.976 -19.599 -3.569 1.00 1.19 H new ATOM 0 HG SER A 45 -12.672 -18.610 -4.811 1.00 1.19 H new ATOM 673 N LEU A 46 -10.545 -22.950 -3.996 1.00 1.21 N ATOM 674 CA LEU A 46 -10.873 -24.359 -3.840 1.00 1.32 C ATOM 675 C LEU A 46 -12.324 -24.499 -3.398 1.00 1.35 C ATOM 676 O LEU A 46 -12.612 -24.899 -2.268 1.00 1.77 O ATOM 677 CB LEU A 46 -9.937 -25.015 -2.825 1.00 1.50 C ATOM 678 CG LEU A 46 -9.311 -26.332 -3.289 1.00 1.83 C ATOM 679 CD1 LEU A 46 -7.857 -26.123 -3.677 1.00 2.37 C ATOM 680 CD2 LEU A 46 -9.430 -27.392 -2.204 1.00 2.35 C ATOM 0 H LEU A 46 -10.261 -22.484 -3.134 1.00 1.21 H new ATOM 0 HA LEU A 46 -10.743 -24.864 -4.797 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -9.138 -24.314 -2.583 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -10.492 -25.197 -1.904 1.00 1.50 H new ATOM 0 HG LEU A 46 -9.854 -26.680 -4.168 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -7.428 -27.070 -4.004 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -7.798 -25.398 -4.489 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -7.301 -25.751 -2.817 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -8.979 -28.321 -2.552 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -8.914 -27.053 -1.306 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -10.482 -27.562 -1.976 1.00 2.35 H new ATOM 692 N LYS A 47 -13.234 -24.150 -4.292 1.00 1.23 N ATOM 693 CA LYS A 47 -14.654 -24.145 -3.975 1.00 1.28 C ATOM 694 C LYS A 47 -15.432 -24.974 -4.988 1.00 1.27 C ATOM 695 O LYS A 47 -14.884 -25.381 -6.011 1.00 1.27 O ATOM 696 CB LYS A 47 -15.180 -22.707 -3.954 1.00 1.30 C ATOM 697 CG LYS A 47 -15.657 -22.256 -2.583 1.00 1.49 C ATOM 698 CD LYS A 47 -14.493 -22.049 -1.630 1.00 1.72 C ATOM 699 CE LYS A 47 -14.652 -20.768 -0.831 1.00 1.61 C ATOM 700 NZ LYS A 47 -15.046 -21.032 0.578 1.00 2.27 N ATOM 0 H LYS A 47 -13.014 -23.865 -5.247 1.00 1.23 H new ATOM 0 HA LYS A 47 -14.792 -24.589 -2.989 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -14.392 -22.035 -4.295 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -16.003 -22.619 -4.663 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -16.219 -21.327 -2.679 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -16.339 -23.000 -2.171 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -14.423 -22.898 -0.950 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -13.561 -22.014 -2.194 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -13.714 -20.213 -0.847 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -15.404 -20.137 -1.305 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -15.143 -20.130 1.086 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -15.954 -21.539 0.595 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -14.317 -21.612 1.039 1.00 2.27 H new ATOM 714 N ALA A 48 -16.709 -25.204 -4.703 1.00 1.33 N ATOM 715 CA ALA A 48 -17.567 -25.983 -5.590 1.00 1.38 C ATOM 716 C ALA A 48 -17.713 -25.295 -6.942 1.00 1.18 C ATOM 717 O ALA A 48 -17.875 -25.951 -7.971 1.00 1.05 O ATOM 718 CB ALA A 48 -18.933 -26.197 -4.952 1.00 1.64 C ATOM 0 H ALA A 48 -17.174 -24.861 -3.863 1.00 1.33 H new ATOM 0 HA ALA A 48 -17.101 -26.955 -5.751 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -19.562 -26.780 -5.625 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -18.815 -26.734 -4.011 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -19.402 -25.231 -4.763 1.00 1.64 H new ATOM 724 N MET A 49 -17.648 -23.967 -6.928 1.00 1.20 N ATOM 725 CA MET A 49 -17.701 -23.174 -8.152 1.00 1.09 C ATOM 726 C MET A 49 -16.542 -23.532 -9.076 1.00 0.94 C ATOM 727 O MET A 49 -16.689 -23.551 -10.297 1.00 0.85 O ATOM 728 CB MET A 49 -17.660 -21.681 -7.817 1.00 1.22 C ATOM 729 CG MET A 49 -17.928 -20.774 -9.009 1.00 1.35 C ATOM 730 SD MET A 49 -19.671 -20.327 -9.161 1.00 1.95 S ATOM 731 CE MET A 49 -19.991 -19.660 -7.529 1.00 2.58 C ATOM 0 H MET A 49 -17.558 -23.414 -6.076 1.00 1.20 H new ATOM 0 HA MET A 49 -18.636 -23.398 -8.665 1.00 1.09 H new ATOM 0 HB2 MET A 49 -18.397 -21.472 -7.041 1.00 1.22 H new ATOM 0 HB3 MET A 49 -16.682 -21.439 -7.401 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.331 -19.867 -8.913 1.00 1.35 H new ATOM 0 HG3 MET A 49 -17.604 -21.274 -9.922 1.00 1.35 H new ATOM 0 HE1 MET A 49 -20.630 -18.781 -7.614 1.00 2.58 H new ATOM 0 HE2 MET A 49 -20.490 -20.413 -6.919 1.00 2.58 H new ATOM 0 HE3 MET A 49 -19.048 -19.379 -7.059 1.00 2.58 H new ATOM 741 N ALA A 50 -15.394 -23.834 -8.483 1.00 0.96 N ATOM 742 CA ALA A 50 -14.218 -24.213 -9.250 1.00 0.90 C ATOM 743 C ALA A 50 -14.416 -25.586 -9.874 1.00 0.84 C ATOM 744 O ALA A 50 -14.110 -25.790 -11.046 1.00 0.80 O ATOM 745 CB ALA A 50 -12.980 -24.203 -8.371 1.00 1.06 C ATOM 0 H ALA A 50 -15.254 -23.823 -7.473 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.076 -23.484 -10.048 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.111 -24.489 -8.963 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -12.829 -23.202 -7.966 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -13.110 -24.910 -7.552 1.00 1.06 H new ATOM 751 N VAL A 51 -14.947 -26.517 -9.083 1.00 0.90 N ATOM 752 CA VAL A 51 -15.237 -27.866 -9.559 1.00 0.92 C ATOM 753 C VAL A 51 -16.211 -27.816 -10.730 1.00 0.84 C ATOM 754 O VAL A 51 -16.017 -28.486 -11.744 1.00 0.85 O ATOM 755 CB VAL A 51 -15.838 -28.744 -8.442 1.00 1.07 C ATOM 756 CG1 VAL A 51 -15.911 -30.199 -8.879 1.00 1.17 C ATOM 757 CG2 VAL A 51 -15.032 -28.610 -7.162 1.00 1.46 C ATOM 0 H VAL A 51 -15.186 -26.359 -8.104 1.00 0.90 H new ATOM 0 HA VAL A 51 -14.293 -28.307 -9.879 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.852 -28.396 -8.246 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -16.338 -30.799 -8.076 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -16.539 -30.281 -9.766 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -14.909 -30.561 -9.109 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -15.473 -29.237 -6.387 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -14.005 -28.926 -7.344 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -15.039 -27.570 -6.835 1.00 1.46 H new ATOM 767 N ALA A 52 -17.247 -26.995 -10.586 1.00 0.84 N ATOM 768 CA ALA A 52 -18.249 -26.828 -11.631 1.00 0.85 C ATOM 769 C ALA A 52 -17.612 -26.342 -12.930 1.00 0.77 C ATOM 770 O ALA A 52 -18.020 -26.743 -14.019 1.00 0.83 O ATOM 771 CB ALA A 52 -19.331 -25.860 -11.175 1.00 0.97 C ATOM 0 H ALA A 52 -17.414 -26.433 -9.751 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.705 -27.800 -11.823 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -20.073 -25.745 -11.965 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.813 -26.250 -10.279 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -18.883 -24.891 -10.954 1.00 0.97 H new ATOM 777 N ALA A 53 -16.599 -25.493 -12.803 1.00 0.72 N ATOM 778 CA ALA A 53 -15.901 -24.952 -13.960 1.00 0.74 C ATOM 779 C ALA A 53 -15.189 -26.054 -14.738 1.00 0.73 C ATOM 780 O ALA A 53 -15.370 -26.180 -15.949 1.00 0.93 O ATOM 781 CB ALA A 53 -14.913 -23.877 -13.528 1.00 0.82 C ATOM 0 H ALA A 53 -16.242 -25.164 -11.906 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.641 -24.501 -14.621 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.399 -23.482 -14.404 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -15.449 -23.070 -13.027 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.183 -24.308 -12.843 1.00 0.82 H new ATOM 787 N GLN A 54 -14.399 -26.870 -14.039 1.00 0.71 N ATOM 788 CA GLN A 54 -13.639 -27.934 -14.699 1.00 0.83 C ATOM 789 C GLN A 54 -14.564 -29.016 -15.241 1.00 0.88 C ATOM 790 O GLN A 54 -14.279 -29.622 -16.274 1.00 1.07 O ATOM 791 CB GLN A 54 -12.601 -28.568 -13.762 1.00 0.99 C ATOM 792 CG GLN A 54 -12.726 -28.151 -12.307 1.00 1.27 C ATOM 793 CD GLN A 54 -11.411 -27.677 -11.721 1.00 1.30 C ATOM 794 OE1 GLN A 54 -10.950 -28.187 -10.700 1.00 1.76 O ATOM 795 NE2 GLN A 54 -10.796 -26.700 -12.365 1.00 1.86 N ATOM 0 H GLN A 54 -14.269 -26.817 -13.029 1.00 0.71 H new ATOM 0 HA GLN A 54 -13.109 -27.467 -15.529 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -12.689 -29.653 -13.824 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -11.604 -28.308 -14.117 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -13.465 -27.354 -12.224 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -13.098 -28.993 -11.722 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -11.212 -26.304 -13.208 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -9.906 -26.342 -12.019 1.00 1.86 H new ATOM 804 N VAL A 55 -15.670 -29.257 -14.547 1.00 0.88 N ATOM 805 CA VAL A 55 -16.641 -30.252 -14.984 1.00 0.98 C ATOM 806 C VAL A 55 -17.352 -29.782 -16.253 1.00 0.96 C ATOM 807 O VAL A 55 -17.513 -30.545 -17.206 1.00 1.10 O ATOM 808 CB VAL A 55 -17.678 -30.560 -13.878 1.00 1.13 C ATOM 809 CG1 VAL A 55 -18.851 -31.361 -14.427 1.00 1.82 C ATOM 810 CG2 VAL A 55 -17.017 -31.311 -12.733 1.00 1.36 C ATOM 0 H VAL A 55 -15.916 -28.778 -13.681 1.00 0.88 H new ATOM 0 HA VAL A 55 -16.096 -31.171 -15.199 1.00 0.98 H new ATOM 0 HB VAL A 55 -18.065 -29.611 -13.505 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -19.562 -31.561 -13.625 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -19.344 -30.791 -15.215 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -18.488 -32.305 -14.834 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -17.757 -31.522 -11.961 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -16.602 -32.248 -13.104 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -16.217 -30.702 -12.312 1.00 1.36 H new ATOM 820 N HIS A 56 -17.750 -28.512 -16.272 1.00 0.95 N ATOM 821 CA HIS A 56 -18.437 -27.943 -17.428 1.00 1.02 C ATOM 822 C HIS A 56 -17.471 -27.767 -18.597 1.00 0.97 C ATOM 823 O HIS A 56 -17.876 -27.787 -19.762 1.00 1.30 O ATOM 824 CB HIS A 56 -19.077 -26.596 -17.068 1.00 1.22 C ATOM 825 CG HIS A 56 -20.029 -26.081 -18.107 1.00 1.39 C ATOM 826 ND1 HIS A 56 -21.296 -26.594 -18.289 1.00 1.92 N ATOM 827 CD2 HIS A 56 -19.890 -25.094 -19.024 1.00 1.81 C ATOM 828 CE1 HIS A 56 -21.892 -25.946 -19.271 1.00 1.97 C ATOM 829 NE2 HIS A 56 -21.062 -25.030 -19.734 1.00 1.97 N ATOM 0 H HIS A 56 -17.609 -27.859 -15.501 1.00 0.95 H new ATOM 0 HA HIS A 56 -19.224 -28.635 -17.727 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -19.607 -26.698 -16.121 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -18.289 -25.859 -16.914 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -19.019 -24.473 -19.169 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -22.891 -26.133 -19.635 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -21.260 -24.381 -20.495 1.00 1.97 H new ATOM 838 N ARG A 57 -16.198 -27.577 -18.280 1.00 0.98 N ATOM 839 CA ARG A 57 -15.170 -27.426 -19.299 1.00 1.19 C ATOM 840 C ARG A 57 -14.773 -28.783 -19.869 1.00 1.33 C ATOM 841 O ARG A 57 -14.418 -28.885 -21.045 1.00 2.17 O ATOM 842 CB ARG A 57 -13.941 -26.726 -18.718 1.00 1.33 C ATOM 843 CG ARG A 57 -13.462 -25.548 -19.551 1.00 1.79 C ATOM 844 CD ARG A 57 -12.841 -26.006 -20.858 1.00 1.88 C ATOM 845 NE ARG A 57 -13.661 -25.631 -22.011 1.00 2.28 N ATOM 846 CZ ARG A 57 -13.165 -25.127 -23.138 1.00 2.79 C ATOM 847 NH1 ARG A 57 -11.859 -24.961 -23.279 1.00 3.10 N ATOM 848 NH2 ARG A 57 -13.978 -24.800 -24.136 1.00 3.57 N ATOM 0 H ARG A 57 -15.852 -27.524 -17.322 1.00 0.98 H new ATOM 0 HA ARG A 57 -15.578 -26.815 -20.104 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -14.173 -26.378 -17.711 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -13.131 -27.449 -18.626 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -14.300 -24.883 -19.759 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -12.732 -24.972 -18.982 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -11.848 -25.569 -20.961 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -12.713 -27.088 -20.840 1.00 1.88 H new ATOM 0 HE ARG A 57 -14.670 -25.764 -21.947 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -11.227 -25.220 -22.521 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -11.485 -24.574 -24.145 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -14.984 -24.935 -24.039 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -13.596 -24.414 -24.999 1.00 3.57 H new ATOM 862 N GLU A 58 -14.827 -29.812 -19.018 1.00 1.21 N ATOM 863 CA GLU A 58 -14.468 -31.182 -19.399 1.00 1.40 C ATOM 864 C GLU A 58 -12.964 -31.307 -19.629 1.00 1.22 C ATOM 865 O GLU A 58 -12.477 -32.327 -20.121 1.00 1.68 O ATOM 866 CB GLU A 58 -15.236 -31.625 -20.645 1.00 1.88 C ATOM 867 CG GLU A 58 -16.590 -32.227 -20.330 1.00 2.68 C ATOM 868 CD GLU A 58 -16.680 -33.673 -20.753 1.00 3.16 C ATOM 869 OE1 GLU A 58 -15.772 -34.456 -20.401 1.00 3.53 O ATOM 870 OE2 GLU A 58 -17.668 -34.039 -21.425 1.00 3.64 O ATOM 0 H GLU A 58 -15.121 -29.719 -18.046 1.00 1.21 H new ATOM 0 HA GLU A 58 -14.746 -31.839 -18.575 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -15.372 -30.768 -21.304 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -14.639 -32.356 -21.191 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -16.780 -32.150 -19.259 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -17.368 -31.653 -20.834 1.00 2.68 H new ATOM 877 N TYR A 59 -12.248 -30.257 -19.258 1.00 1.26 N ATOM 878 CA TYR A 59 -10.801 -30.183 -19.386 1.00 1.40 C ATOM 879 C TYR A 59 -10.332 -28.916 -18.693 1.00 1.33 C ATOM 880 O TYR A 59 -11.118 -27.986 -18.526 1.00 1.82 O ATOM 881 CB TYR A 59 -10.376 -30.160 -20.859 1.00 1.93 C ATOM 882 CG TYR A 59 -9.736 -31.449 -21.329 1.00 2.42 C ATOM 883 CD1 TYR A 59 -9.142 -32.324 -20.426 1.00 2.98 C ATOM 884 CD2 TYR A 59 -9.732 -31.791 -22.675 1.00 2.85 C ATOM 885 CE1 TYR A 59 -8.561 -33.501 -20.853 1.00 3.65 C ATOM 886 CE2 TYR A 59 -9.153 -32.969 -23.108 1.00 3.50 C ATOM 887 CZ TYR A 59 -8.570 -33.820 -22.192 1.00 3.80 C ATOM 888 OH TYR A 59 -7.992 -34.992 -22.621 1.00 4.58 O ATOM 0 H TYR A 59 -12.663 -29.418 -18.853 1.00 1.26 H new ATOM 0 HA TYR A 59 -10.350 -31.063 -18.927 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -11.250 -29.952 -21.477 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.675 -29.340 -21.013 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -9.135 -32.079 -19.374 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -10.188 -31.127 -23.394 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -8.101 -34.169 -20.140 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -9.157 -33.222 -24.158 1.00 3.50 H new ATOM 0 HH TYR A 59 -8.085 -35.066 -23.594 1.00 4.58 H new ATOM 898 N GLN A 60 -9.080 -28.867 -18.272 1.00 1.24 N ATOM 899 CA GLN A 60 -8.593 -27.692 -17.567 1.00 1.28 C ATOM 900 C GLN A 60 -7.149 -27.373 -17.917 1.00 1.38 C ATOM 901 O GLN A 60 -6.780 -26.201 -18.017 1.00 1.94 O ATOM 902 CB GLN A 60 -8.730 -27.884 -16.057 1.00 1.68 C ATOM 903 CG GLN A 60 -8.877 -26.576 -15.291 1.00 1.83 C ATOM 904 CD GLN A 60 -10.108 -25.787 -15.699 1.00 2.07 C ATOM 905 OE1 GLN A 60 -11.124 -25.790 -15.006 1.00 2.80 O ATOM 906 NE2 GLN A 60 -10.021 -25.096 -16.824 1.00 2.27 N ATOM 0 H GLN A 60 -8.394 -29.610 -18.402 1.00 1.24 H new ATOM 0 HA GLN A 60 -9.206 -26.848 -17.885 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -9.597 -28.514 -15.856 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -7.855 -28.418 -15.685 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -8.926 -26.790 -14.223 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -7.989 -25.964 -15.453 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -9.161 -25.119 -17.371 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -10.814 -24.540 -17.144 1.00 2.27 H new ATOM 915 N VAL A 61 -6.344 -28.418 -18.107 1.00 1.49 N ATOM 916 CA VAL A 61 -4.903 -28.275 -18.310 1.00 1.90 C ATOM 917 C VAL A 61 -4.245 -27.804 -17.017 1.00 2.03 C ATOM 918 O VAL A 61 -3.607 -28.593 -16.317 1.00 2.77 O ATOM 919 CB VAL A 61 -4.557 -27.305 -19.469 1.00 2.42 C ATOM 920 CG1 VAL A 61 -3.050 -27.196 -19.659 1.00 3.13 C ATOM 921 CG2 VAL A 61 -5.225 -27.759 -20.763 1.00 2.70 C ATOM 0 H VAL A 61 -6.671 -29.384 -18.125 1.00 1.49 H new ATOM 0 HA VAL A 61 -4.516 -29.255 -18.590 1.00 1.90 H new ATOM 0 HB VAL A 61 -4.938 -26.318 -19.208 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -2.835 -26.510 -20.478 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -2.594 -26.822 -18.743 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -2.641 -28.179 -19.893 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -4.971 -27.067 -21.566 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -4.875 -28.758 -21.022 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -6.306 -27.777 -20.627 1.00 2.70 H new ATOM 931 N GLU A 62 -4.447 -26.529 -16.699 1.00 1.77 N ATOM 932 CA GLU A 62 -3.954 -25.918 -15.468 1.00 2.15 C ATOM 933 C GLU A 62 -4.296 -24.434 -15.467 1.00 1.95 C ATOM 934 O GLU A 62 -4.801 -23.900 -14.482 1.00 2.59 O ATOM 935 CB GLU A 62 -2.442 -26.105 -15.315 1.00 2.85 C ATOM 936 CG GLU A 62 -2.046 -26.772 -14.006 1.00 3.27 C ATOM 937 CD GLU A 62 -1.907 -25.786 -12.866 1.00 4.00 C ATOM 938 OE1 GLU A 62 -0.837 -25.155 -12.740 1.00 4.41 O ATOM 939 OE2 GLU A 62 -2.874 -25.629 -12.089 1.00 4.56 O ATOM 0 H GLU A 62 -4.964 -25.883 -17.296 1.00 1.77 H new ATOM 0 HA GLU A 62 -4.437 -26.411 -14.624 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -2.071 -26.704 -16.147 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -1.954 -25.132 -15.381 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -2.793 -27.521 -13.744 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -1.101 -27.299 -14.143 1.00 3.27 H new ATOM 946 N LEU A 63 -4.027 -23.778 -16.589 1.00 1.62 N ATOM 947 CA LEU A 63 -4.324 -22.361 -16.739 1.00 1.78 C ATOM 948 C LEU A 63 -5.542 -22.167 -17.636 1.00 1.53 C ATOM 949 O LEU A 63 -5.474 -22.388 -18.845 1.00 1.50 O ATOM 950 CB LEU A 63 -3.116 -21.622 -17.320 1.00 2.34 C ATOM 951 CG LEU A 63 -2.498 -20.566 -16.399 1.00 2.46 C ATOM 952 CD1 LEU A 63 -1.065 -20.266 -16.819 1.00 2.93 C ATOM 953 CD2 LEU A 63 -3.339 -19.296 -16.404 1.00 3.01 C ATOM 0 H LEU A 63 -3.602 -24.208 -17.411 1.00 1.62 H new ATOM 0 HA LEU A 63 -4.545 -21.947 -15.755 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -2.349 -22.354 -17.574 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -3.417 -21.140 -18.250 1.00 2.34 H new ATOM 0 HG LEU A 63 -2.481 -20.960 -15.383 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -0.641 -19.514 -16.154 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -0.470 -21.178 -16.761 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -1.057 -19.892 -17.843 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -2.885 -18.556 -15.744 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -3.389 -18.897 -17.417 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -4.346 -19.525 -16.054 1.00 3.01 H new ATOM 965 N PRO A 64 -6.679 -21.775 -17.047 1.00 1.52 N ATOM 966 CA PRO A 64 -7.912 -21.520 -17.774 1.00 1.44 C ATOM 967 C PRO A 64 -8.043 -20.053 -18.177 1.00 1.43 C ATOM 968 O PRO A 64 -8.439 -19.219 -17.367 1.00 1.89 O ATOM 969 CB PRO A 64 -8.991 -21.898 -16.750 1.00 1.66 C ATOM 970 CG PRO A 64 -8.319 -21.905 -15.404 1.00 1.91 C ATOM 971 CD PRO A 64 -6.865 -21.555 -15.614 1.00 1.79 C ATOM 0 HA PRO A 64 -7.973 -22.078 -18.709 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -9.812 -21.182 -16.770 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -9.415 -22.876 -16.977 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -8.793 -21.185 -14.736 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -8.413 -22.885 -14.935 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -6.653 -20.523 -15.333 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -6.207 -22.189 -15.019 1.00 1.79 H new ATOM 979 N LEU A 65 -7.714 -19.747 -19.427 1.00 1.22 N ATOM 980 CA LEU A 65 -7.719 -18.369 -19.908 1.00 1.24 C ATOM 981 C LEU A 65 -9.130 -17.897 -20.257 1.00 1.19 C ATOM 982 O LEU A 65 -9.386 -16.696 -20.343 1.00 1.82 O ATOM 983 CB LEU A 65 -6.810 -18.234 -21.132 1.00 1.39 C ATOM 984 CG LEU A 65 -5.454 -17.580 -20.860 1.00 1.86 C ATOM 985 CD1 LEU A 65 -4.327 -18.446 -21.409 1.00 2.46 C ATOM 986 CD2 LEU A 65 -5.407 -16.189 -21.473 1.00 2.34 C ATOM 0 H LEU A 65 -7.440 -20.436 -20.128 1.00 1.22 H new ATOM 0 HA LEU A 65 -7.343 -17.738 -19.103 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -6.641 -19.226 -21.552 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -7.332 -17.651 -21.891 1.00 1.39 H new ATOM 0 HG LEU A 65 -5.321 -17.487 -19.782 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -3.369 -17.967 -21.208 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -4.352 -19.424 -20.928 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -4.453 -18.568 -22.485 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -4.437 -15.735 -21.272 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -5.558 -16.261 -22.550 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -6.193 -15.573 -21.037 1.00 2.34 H new ATOM 998 N LYS A 66 -10.037 -18.841 -20.472 1.00 0.89 N ATOM 999 CA LYS A 66 -11.420 -18.518 -20.804 1.00 0.89 C ATOM 1000 C LYS A 66 -12.337 -19.679 -20.442 1.00 0.88 C ATOM 1001 O LYS A 66 -12.212 -20.769 -20.998 1.00 1.21 O ATOM 1002 CB LYS A 66 -11.553 -18.203 -22.298 1.00 1.03 C ATOM 1003 CG LYS A 66 -12.865 -17.526 -22.663 1.00 1.47 C ATOM 1004 CD LYS A 66 -13.615 -18.298 -23.741 1.00 1.62 C ATOM 1005 CE LYS A 66 -13.561 -17.583 -25.083 1.00 1.99 C ATOM 1006 NZ LYS A 66 -12.860 -18.388 -26.119 1.00 2.42 N ATOM 0 H LYS A 66 -9.839 -19.840 -20.422 1.00 0.89 H new ATOM 0 HA LYS A 66 -11.713 -17.640 -20.229 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -10.726 -17.561 -22.600 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -11.461 -19.129 -22.866 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -13.490 -17.441 -21.774 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -12.667 -16.512 -23.012 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -13.185 -19.294 -23.842 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -14.654 -18.429 -23.439 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -14.575 -17.366 -25.418 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -13.053 -16.626 -24.963 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -12.847 -17.863 -27.017 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -11.884 -18.574 -25.812 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -13.359 -19.291 -26.253 1.00 2.42 H new ATOM 1020 N VAL A 67 -13.240 -19.447 -19.498 1.00 0.96 N ATOM 1021 CA VAL A 67 -14.204 -20.466 -19.093 1.00 1.08 C ATOM 1022 C VAL A 67 -15.254 -19.876 -18.156 1.00 1.15 C ATOM 1023 O VAL A 67 -16.448 -19.940 -18.433 1.00 1.70 O ATOM 1024 CB VAL A 67 -13.515 -21.689 -18.421 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -12.481 -21.252 -17.390 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -14.541 -22.621 -17.790 1.00 2.11 C ATOM 0 H VAL A 67 -13.326 -18.562 -18.997 1.00 0.96 H new ATOM 0 HA VAL A 67 -14.694 -20.819 -20.001 1.00 1.08 H new ATOM 0 HB VAL A 67 -12.994 -22.237 -19.206 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -12.020 -22.132 -16.941 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -11.714 -20.649 -17.877 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -12.968 -20.662 -16.614 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -14.030 -23.466 -17.329 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -15.106 -22.080 -17.031 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -15.223 -22.985 -18.558 1.00 2.11 H new ATOM 1036 N LEU A 68 -14.798 -19.279 -17.064 1.00 1.00 N ATOM 1037 CA LEU A 68 -15.693 -18.746 -16.045 1.00 1.15 C ATOM 1038 C LEU A 68 -14.924 -17.851 -15.086 1.00 1.14 C ATOM 1039 O LEU A 68 -15.435 -16.837 -14.620 1.00 1.53 O ATOM 1040 CB LEU A 68 -16.353 -19.889 -15.261 1.00 1.35 C ATOM 1041 CG LEU A 68 -17.871 -20.008 -15.422 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -18.247 -21.395 -15.921 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -18.574 -19.704 -14.105 1.00 2.02 C ATOM 0 H LEU A 68 -13.807 -19.151 -16.860 1.00 1.00 H new ATOM 0 HA LEU A 68 -16.467 -18.161 -16.541 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -15.897 -20.829 -15.571 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -16.126 -19.759 -14.203 1.00 1.35 H new ATOM 0 HG LEU A 68 -18.197 -19.277 -16.162 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -19.330 -21.462 -16.030 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -17.774 -21.575 -16.886 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -17.907 -22.144 -15.205 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -19.652 -19.794 -14.239 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -18.243 -20.411 -13.344 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -18.331 -18.690 -13.788 1.00 2.02 H new ATOM 1055 N PHE A 69 -13.692 -18.250 -14.785 1.00 1.04 N ATOM 1056 CA PHE A 69 -12.838 -17.486 -13.884 1.00 1.16 C ATOM 1057 C PHE A 69 -12.138 -16.351 -14.622 1.00 1.15 C ATOM 1058 O PHE A 69 -12.419 -15.179 -14.383 1.00 1.87 O ATOM 1059 CB PHE A 69 -11.802 -18.404 -13.233 1.00 1.30 C ATOM 1060 CG PHE A 69 -12.341 -19.197 -12.079 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -12.406 -18.641 -10.813 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -12.779 -20.498 -12.259 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -12.899 -19.368 -9.747 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -13.273 -21.230 -11.196 1.00 1.81 C ATOM 1065 CZ PHE A 69 -13.333 -20.664 -9.939 1.00 1.60 C ATOM 0 H PHE A 69 -13.263 -19.099 -15.153 1.00 1.04 H new ATOM 0 HA PHE A 69 -13.469 -17.051 -13.109 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -11.414 -19.091 -13.985 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -10.962 -17.802 -12.888 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -12.067 -17.627 -10.657 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -12.734 -20.946 -13.241 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -12.945 -18.923 -8.764 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -13.612 -22.244 -11.349 1.00 1.81 H new ATOM 0 HZ PHE A 69 -13.719 -21.234 -9.107 1.00 1.60 H new ATOM 1075 N ALA A 70 -11.234 -16.707 -15.530 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.457 -15.714 -16.256 1.00 0.94 C ATOM 1077 C ALA A 70 -11.278 -15.051 -17.351 1.00 0.91 C ATOM 1078 O ALA A 70 -11.308 -15.516 -18.494 1.00 1.09 O ATOM 1079 CB ALA A 70 -9.205 -16.338 -16.840 1.00 1.03 C ATOM 0 H ALA A 70 -11.024 -17.674 -15.778 1.00 0.92 H new ATOM 0 HA ALA A 70 -10.166 -14.941 -15.544 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -8.638 -15.579 -17.379 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -8.593 -16.746 -16.036 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -9.483 -17.138 -17.526 1.00 1.03 H new ATOM 1085 N GLN A 71 -11.952 -13.975 -16.976 1.00 1.05 N ATOM 1086 CA GLN A 71 -12.706 -13.151 -17.907 1.00 1.14 C ATOM 1087 C GLN A 71 -13.265 -11.937 -17.173 1.00 1.04 C ATOM 1088 O GLN A 71 -14.408 -11.961 -16.702 1.00 1.19 O ATOM 1089 CB GLN A 71 -13.849 -13.940 -18.551 1.00 1.43 C ATOM 1090 CG GLN A 71 -14.298 -13.371 -19.887 1.00 1.89 C ATOM 1091 CD GLN A 71 -13.910 -14.251 -21.059 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -14.772 -14.757 -21.779 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -12.615 -14.442 -21.260 1.00 3.23 N ATOM 0 H GLN A 71 -11.991 -13.647 -16.011 1.00 1.05 H new ATOM 0 HA GLN A 71 -12.033 -12.827 -18.701 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -13.533 -14.973 -18.693 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -14.698 -13.957 -17.868 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -15.380 -13.243 -19.877 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -13.861 -12.381 -20.021 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -11.933 -14.005 -20.641 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -12.300 -15.026 -22.034 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.455 -10.867 -17.050 1.00 1.11 N ATOM 1103 CA PRO A 72 -12.852 -9.625 -16.374 1.00 1.26 C ATOM 1104 C PRO A 72 -13.952 -8.886 -17.133 1.00 1.21 C ATOM 1105 O PRO A 72 -13.718 -7.851 -17.757 1.00 1.62 O ATOM 1106 CB PRO A 72 -11.561 -8.790 -16.341 1.00 1.60 C ATOM 1107 CG PRO A 72 -10.463 -9.746 -16.667 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.077 -10.787 -17.555 1.00 1.38 C ATOM 0 HA PRO A 72 -13.264 -9.817 -15.383 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -11.601 -7.976 -17.065 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -11.410 -8.338 -15.361 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -9.640 -9.239 -17.170 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.055 -10.196 -15.762 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -11.046 -10.494 -18.604 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -10.560 -11.743 -17.476 1.00 1.38 H new ATOM 1116 N THR A 73 -15.139 -9.462 -17.106 1.00 1.29 N ATOM 1117 CA THR A 73 -16.319 -8.876 -17.721 1.00 1.40 C ATOM 1118 C THR A 73 -17.571 -9.449 -17.070 1.00 1.25 C ATOM 1119 O THR A 73 -18.632 -8.831 -17.095 1.00 1.55 O ATOM 1120 CB THR A 73 -16.369 -9.142 -19.239 1.00 1.86 C ATOM 1121 OG1 THR A 73 -15.151 -9.757 -19.672 1.00 2.46 O ATOM 1122 CG2 THR A 73 -16.590 -7.846 -20.009 1.00 2.01 C ATOM 0 H THR A 73 -15.315 -10.359 -16.653 1.00 1.29 H new ATOM 0 HA THR A 73 -16.270 -7.798 -17.569 1.00 1.40 H new ATOM 0 HB THR A 73 -17.204 -9.813 -19.439 1.00 1.86 H new ATOM 0 HG1 THR A 73 -15.193 -9.923 -20.637 1.00 2.46 H new ATOM 0 HG21 THR A 73 -16.622 -8.059 -21.078 1.00 2.01 H new ATOM 0 HG22 THR A 73 -17.533 -7.396 -19.700 1.00 2.01 H new ATOM 0 HG23 THR A 73 -15.773 -7.155 -19.801 1.00 2.01 H new ATOM 1130 N ILE A 74 -17.426 -10.655 -16.502 1.00 1.12 N ATOM 1131 CA ILE A 74 -18.489 -11.311 -15.738 1.00 1.13 C ATOM 1132 C ILE A 74 -19.627 -11.797 -16.641 1.00 1.08 C ATOM 1133 O ILE A 74 -19.814 -12.999 -16.827 1.00 1.12 O ATOM 1134 CB ILE A 74 -19.049 -10.385 -14.630 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -17.975 -10.108 -13.574 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -20.279 -10.997 -13.976 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -18.007 -8.699 -13.027 1.00 2.08 C ATOM 0 H ILE A 74 -16.566 -11.201 -16.561 1.00 1.12 H new ATOM 0 HA ILE A 74 -18.036 -12.182 -15.265 1.00 1.13 H new ATOM 0 HB ILE A 74 -19.342 -9.443 -15.094 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -18.099 -10.811 -12.750 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -16.994 -10.297 -14.009 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -20.651 -10.326 -13.202 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -21.053 -11.149 -14.728 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -20.015 -11.955 -13.529 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -17.218 -8.579 -12.285 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -17.852 -7.990 -13.840 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -18.974 -8.511 -12.561 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.368 -10.865 -17.223 1.00 1.07 N ATOM 1150 CA LYS A 75 -21.548 -11.209 -18.003 1.00 1.12 C ATOM 1151 C LYS A 75 -21.176 -11.849 -19.335 1.00 1.02 C ATOM 1152 O LYS A 75 -22.018 -12.455 -19.983 1.00 1.06 O ATOM 1153 CB LYS A 75 -22.410 -9.972 -18.238 1.00 1.25 C ATOM 1154 CG LYS A 75 -23.897 -10.279 -18.320 1.00 1.80 C ATOM 1155 CD LYS A 75 -24.623 -9.303 -19.233 1.00 2.44 C ATOM 1156 CE LYS A 75 -23.901 -9.132 -20.560 1.00 3.14 C ATOM 1157 NZ LYS A 75 -23.786 -7.703 -20.945 1.00 3.80 N ATOM 0 H LYS A 75 -20.173 -9.865 -17.170 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.119 -11.939 -17.429 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -22.238 -9.260 -17.431 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -22.095 -9.489 -19.163 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -24.039 -11.295 -18.687 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -24.333 -10.237 -17.322 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -25.637 -9.659 -19.414 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -24.708 -8.336 -18.738 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -22.906 -9.571 -20.491 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -24.437 -9.676 -21.338 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -23.160 -7.615 -21.771 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -24.727 -7.331 -21.183 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -23.390 -7.160 -20.151 1.00 3.80 H new ATOM 1171 N ALA A 76 -19.919 -11.714 -19.738 1.00 0.97 N ATOM 1172 CA ALA A 76 -19.449 -12.309 -20.987 1.00 0.98 C ATOM 1173 C ALA A 76 -19.520 -13.834 -20.922 1.00 0.91 C ATOM 1174 O ALA A 76 -20.179 -14.479 -21.751 1.00 0.97 O ATOM 1175 CB ALA A 76 -18.029 -11.851 -21.290 1.00 1.08 C ATOM 0 H ALA A 76 -19.206 -11.199 -19.221 1.00 0.97 H new ATOM 0 HA ALA A 76 -20.101 -11.974 -21.794 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -17.692 -12.302 -22.223 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -18.009 -10.765 -21.384 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -17.367 -12.157 -20.480 1.00 1.08 H new ATOM 1181 N LEU A 77 -18.858 -14.405 -19.922 1.00 0.91 N ATOM 1182 CA LEU A 77 -18.875 -15.848 -19.723 1.00 0.97 C ATOM 1183 C LEU A 77 -20.290 -16.313 -19.415 1.00 1.04 C ATOM 1184 O LEU A 77 -20.728 -17.347 -19.905 1.00 1.11 O ATOM 1185 CB LEU A 77 -17.926 -16.253 -18.589 1.00 1.15 C ATOM 1186 CG LEU A 77 -18.101 -15.475 -17.284 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -18.597 -16.390 -16.174 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -16.796 -14.809 -16.884 1.00 1.94 C ATOM 0 H LEU A 77 -18.304 -13.891 -19.238 1.00 0.91 H new ATOM 0 HA LEU A 77 -18.534 -16.327 -20.641 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -18.065 -17.314 -18.382 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -16.900 -16.127 -18.933 1.00 1.15 H new ATOM 0 HG LEU A 77 -18.849 -14.699 -17.445 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -18.715 -15.816 -15.255 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -19.557 -16.820 -16.459 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -17.875 -17.190 -16.012 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -16.938 -14.260 -15.953 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -16.028 -15.569 -16.743 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -16.484 -14.119 -17.668 1.00 1.94 H new ATOM 1200 N ALA A 78 -21.015 -15.512 -18.638 1.00 1.13 N ATOM 1201 CA ALA A 78 -22.381 -15.841 -18.248 1.00 1.34 C ATOM 1202 C ALA A 78 -23.361 -15.627 -19.402 1.00 1.34 C ATOM 1203 O ALA A 78 -24.564 -15.837 -19.252 1.00 1.53 O ATOM 1204 CB ALA A 78 -22.794 -15.012 -17.039 1.00 1.57 C ATOM 0 H ALA A 78 -20.675 -14.626 -18.265 1.00 1.13 H new ATOM 0 HA ALA A 78 -22.410 -16.898 -17.983 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -23.816 -15.265 -16.756 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -22.124 -15.224 -16.206 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -22.739 -13.952 -17.288 1.00 1.57 H new ATOM 1210 N GLN A 79 -22.842 -15.199 -20.545 1.00 1.27 N ATOM 1211 CA GLN A 79 -23.664 -14.989 -21.728 1.00 1.42 C ATOM 1212 C GLN A 79 -23.591 -16.202 -22.650 1.00 1.44 C ATOM 1213 O GLN A 79 -24.562 -16.539 -23.325 1.00 1.79 O ATOM 1214 CB GLN A 79 -23.219 -13.710 -22.461 1.00 1.53 C ATOM 1215 CG GLN A 79 -23.280 -13.788 -23.980 1.00 1.65 C ATOM 1216 CD GLN A 79 -22.140 -13.043 -24.648 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -22.338 -11.979 -25.234 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -20.936 -13.590 -24.556 1.00 2.74 N ATOM 0 H GLN A 79 -21.852 -14.990 -20.678 1.00 1.27 H new ATOM 0 HA GLN A 79 -24.702 -14.864 -21.420 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -23.845 -12.882 -22.129 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -22.197 -13.476 -22.164 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -23.256 -14.833 -24.288 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -24.229 -13.376 -24.324 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -20.814 -14.474 -24.061 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -20.132 -13.127 -24.980 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.442 -16.872 -22.669 1.00 1.23 N ATOM 1228 CA TYR A 80 -22.263 -17.999 -23.577 1.00 1.38 C ATOM 1229 C TYR A 80 -21.810 -19.263 -22.852 1.00 1.39 C ATOM 1230 O TYR A 80 -22.538 -20.252 -22.827 1.00 1.59 O ATOM 1231 CB TYR A 80 -21.284 -17.637 -24.692 1.00 1.43 C ATOM 1232 CG TYR A 80 -21.974 -17.288 -25.991 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -23.055 -18.034 -26.441 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -21.554 -16.209 -26.759 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -23.699 -17.717 -27.619 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -22.193 -15.887 -27.942 1.00 2.18 C ATOM 1237 CZ TYR A 80 -23.267 -16.644 -28.366 1.00 2.42 C ATOM 1238 OH TYR A 80 -23.916 -16.328 -29.539 1.00 2.85 O ATOM 0 H TYR A 80 -21.637 -16.660 -22.079 1.00 1.23 H new ATOM 0 HA TYR A 80 -23.237 -18.216 -24.016 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -20.674 -16.792 -24.372 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -20.607 -18.474 -24.860 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -23.398 -18.877 -25.859 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -20.716 -15.613 -26.427 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -24.539 -18.308 -27.954 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -21.854 -15.048 -28.531 1.00 2.18 H new ATOM 0 HH TYR A 80 -23.491 -15.545 -29.947 1.00 2.85 H new ATOM 1248 N VAL A 81 -20.617 -19.232 -22.266 1.00 1.29 N ATOM 1249 CA VAL A 81 -20.067 -20.412 -21.596 1.00 1.39 C ATOM 1250 C VAL A 81 -20.972 -20.861 -20.449 1.00 1.35 C ATOM 1251 O VAL A 81 -21.193 -22.055 -20.240 1.00 1.49 O ATOM 1252 CB VAL A 81 -18.646 -20.155 -21.049 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -17.836 -21.443 -21.039 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -17.934 -19.082 -21.861 1.00 1.72 C ATOM 0 H VAL A 81 -20.014 -18.410 -22.240 1.00 1.29 H new ATOM 0 HA VAL A 81 -20.012 -21.200 -22.347 1.00 1.39 H new ATOM 0 HB VAL A 81 -18.739 -19.796 -20.024 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -16.838 -21.242 -20.650 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -18.331 -22.179 -20.405 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -17.759 -21.832 -22.054 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -16.936 -18.921 -21.455 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -17.855 -19.404 -22.899 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.501 -18.152 -21.811 1.00 1.72 H new ATOM 1264 N ALA A 82 -21.497 -19.892 -19.716 1.00 1.42 N ATOM 1265 CA ALA A 82 -22.457 -20.154 -18.662 1.00 1.52 C ATOM 1266 C ALA A 82 -23.844 -19.733 -19.123 1.00 1.59 C ATOM 1267 O ALA A 82 -23.971 -18.925 -20.046 1.00 1.90 O ATOM 1268 CB ALA A 82 -22.063 -19.421 -17.387 1.00 1.66 C ATOM 0 H ALA A 82 -21.269 -18.905 -19.836 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.467 -21.222 -18.443 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -22.795 -19.629 -16.607 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -21.079 -19.760 -17.062 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -22.032 -18.348 -17.579 1.00 1.66 H new ATOM 1274 N THR A 83 -24.873 -20.281 -18.481 1.00 1.64 N ATOM 1275 CA THR A 83 -26.269 -20.037 -18.854 1.00 1.83 C ATOM 1276 C THR A 83 -26.610 -20.673 -20.208 1.00 2.01 C ATOM 1277 O THR A 83 -27.470 -21.552 -20.289 1.00 2.41 O ATOM 1278 CB THR A 83 -26.616 -18.530 -18.879 1.00 2.14 C ATOM 1279 OG1 THR A 83 -25.821 -17.816 -17.918 1.00 2.59 O ATOM 1280 CG2 THR A 83 -28.092 -18.315 -18.576 1.00 2.65 C ATOM 0 H THR A 83 -24.764 -20.909 -17.685 1.00 1.64 H new ATOM 0 HA THR A 83 -26.876 -20.509 -18.081 1.00 1.83 H new ATOM 0 HB THR A 83 -26.399 -18.150 -19.877 1.00 2.14 H new ATOM 0 HG1 THR A 83 -25.446 -17.013 -18.336 1.00 2.59 H new ATOM 0 HG21 THR A 83 -28.316 -17.249 -18.598 1.00 2.65 H new ATOM 0 HG22 THR A 83 -28.696 -18.829 -19.324 1.00 2.65 H new ATOM 0 HG23 THR A 83 -28.322 -18.714 -17.588 1.00 2.65 H new