USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 649 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 50 GLN : amide:sc= -0.874! C(o=-3.9!,f=-17!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -144:sc= -2.99! (180deg=-7.6!) USER MOD Single : A 1 MET CE :methyl 170:sc= -0.0134 (180deg=-0.246) USER MOD Single : A 1 MET N :NH3+ -120:sc= -0.56! (180deg=-1.9!) USER MOD Single : A 2 GLN : amide:sc= -0.0609 K(o=-0.061,f=-1.2) USER MOD Single : A 3 THR OG1 : rot -165:sc= 1.22 USER MOD Single : A 9 SER OG : rot 34:sc= -2.03! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -120:sc= 2.11 (180deg=-0.85) USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= 1.23 (180deg=0.759) USER MOD Single : A 25 SER OG : rot 164:sc= 0.216 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0.679 K(o=0.68,f=-0.39) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.584 USER MOD Single : A 34 GLN : amide:sc= -0.107 K(o=-0.11,f=-4.5!) USER MOD Single : A 35 TYR OH : rot -46:sc= 0.994 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00213 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0117 (180deg=-0.213) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.15! C(o=-4.6!,f=-2.1!) USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= -1.44! (180deg=-3.4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.37 K(o=-1.4,f=-4.8!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 67 GLN : amide:sc= 1.02 K(o=1,f=-0.048) USER MOD Single : A 68 HIS : no HD1:sc= -3.84 X(o=-3.8,f=-4.1!) USER MOD Single : A 72 TYR OH : rot 44:sc= 1.1 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 80 LYS NZ :NH3+ -120:sc= -0.854! (180deg=-8.16!) USER MOD Single : A 82 ASN :FLIP amide:sc= -2.47 F(o=-5.1!,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.193 -4.146 7.270 1.00 1.93 N ATOM 2 CA MET A 1 -7.977 -4.065 5.804 1.00 1.45 C ATOM 3 C MET A 1 -6.579 -4.605 5.510 1.00 1.34 C ATOM 4 O MET A 1 -5.717 -4.544 6.377 1.00 1.48 O ATOM 5 CB MET A 1 -8.053 -2.609 5.325 1.00 1.49 C ATOM 6 CG MET A 1 -9.462 -2.047 5.544 1.00 1.82 C ATOM 7 SD MET A 1 -9.660 -0.259 5.361 1.00 1.88 S ATOM 8 CE MET A 1 -9.142 -0.148 3.630 1.00 2.03 C ATOM 0 H1 MET A 1 -9.012 -4.755 7.467 1.00 1.93 H new ATOM 0 H2 MET A 1 -7.347 -4.546 7.724 1.00 1.93 H new ATOM 0 H3 MET A 1 -8.371 -3.194 7.648 1.00 1.93 H new ATOM 0 HA MET A 1 -8.745 -4.642 5.289 1.00 1.45 H new ATOM 0 HB2 MET A 1 -7.325 -2.003 5.865 1.00 1.49 H new ATOM 0 HB3 MET A 1 -7.793 -2.553 4.268 1.00 1.49 H new ATOM 0 HG2 MET A 1 -10.137 -2.538 4.843 1.00 1.82 H new ATOM 0 HG3 MET A 1 -9.787 -2.325 6.547 1.00 1.82 H new ATOM 0 HE1 MET A 1 -9.355 0.851 3.250 1.00 2.03 H new ATOM 0 HE2 MET A 1 -8.072 -0.343 3.557 1.00 2.03 H new ATOM 0 HE3 MET A 1 -9.686 -0.885 3.039 1.00 2.03 H new ATOM 18 N GLN A 2 -6.388 -5.056 4.294 1.00 1.17 N ATOM 19 CA GLN A 2 -5.087 -5.602 3.862 1.00 1.14 C ATOM 20 C GLN A 2 -4.582 -4.733 2.713 1.00 0.96 C ATOM 21 O GLN A 2 -5.239 -4.634 1.689 1.00 1.27 O ATOM 22 CB GLN A 2 -5.283 -7.026 3.338 1.00 1.26 C ATOM 23 CG GLN A 2 -3.911 -7.667 3.133 1.00 2.78 C ATOM 24 CD GLN A 2 -3.991 -8.737 2.040 1.00 3.87 C ATOM 25 OE1 GLN A 2 -4.099 -8.432 0.870 1.00 5.00 O ATOM 26 NE2 GLN A 2 -3.948 -9.993 2.371 1.00 4.56 N ATOM 0 H GLN A 2 -7.108 -5.063 3.571 1.00 1.17 H new ATOM 0 HA GLN A 2 -4.383 -5.611 4.694 1.00 1.14 H new ATOM 0 HB2 GLN A 2 -5.871 -7.611 4.045 1.00 1.26 H new ATOM 0 HB3 GLN A 2 -5.837 -7.010 2.399 1.00 1.26 H new ATOM 0 HG2 GLN A 2 -3.182 -6.905 2.855 1.00 2.78 H new ATOM 0 HG3 GLN A 2 -3.566 -8.113 4.066 1.00 2.78 H new ATOM 0 HE21 GLN A 2 -3.857 -10.259 3.351 1.00 4.56 H new ATOM 0 HE22 GLN A 2 -4.005 -10.713 1.650 1.00 4.56 H new ATOM 35 N THR A 3 -3.477 -4.085 2.910 1.00 0.63 N ATOM 36 CA THR A 3 -2.945 -3.240 1.810 1.00 0.52 C ATOM 37 C THR A 3 -1.839 -4.017 1.096 1.00 0.48 C ATOM 38 O THR A 3 -0.979 -4.589 1.740 1.00 0.62 O ATOM 39 CB THR A 3 -2.393 -1.944 2.409 1.00 0.58 C ATOM 40 OG1 THR A 3 -3.518 -1.315 3.018 1.00 0.67 O ATOM 41 CG2 THR A 3 -1.911 -0.974 1.323 1.00 0.66 C ATOM 0 H THR A 3 -2.925 -4.100 3.768 1.00 0.63 H new ATOM 0 HA THR A 3 -3.728 -2.992 1.093 1.00 0.52 H new ATOM 0 HB THR A 3 -1.562 -2.170 3.077 1.00 0.58 H new ATOM 0 HG1 THR A 3 -3.305 -0.378 3.210 1.00 0.67 H new ATOM 0 HG21 THR A 3 -1.527 -0.067 1.790 1.00 0.66 H new ATOM 0 HG22 THR A 3 -1.120 -1.445 0.740 1.00 0.66 H new ATOM 0 HG23 THR A 3 -2.743 -0.720 0.667 1.00 0.66 H new ATOM 49 N VAL A 4 -1.902 -4.049 -0.205 1.00 0.37 N ATOM 50 CA VAL A 4 -0.871 -4.780 -0.990 1.00 0.38 C ATOM 51 C VAL A 4 -0.164 -3.771 -1.886 1.00 0.36 C ATOM 52 O VAL A 4 -0.806 -2.981 -2.575 1.00 0.40 O ATOM 53 CB VAL A 4 -1.538 -5.860 -1.859 1.00 0.43 C ATOM 54 CG1 VAL A 4 -0.453 -6.809 -2.386 1.00 0.54 C ATOM 55 CG2 VAL A 4 -2.559 -6.666 -1.043 1.00 0.53 C ATOM 0 H VAL A 4 -2.628 -3.597 -0.761 1.00 0.37 H new ATOM 0 HA VAL A 4 -0.161 -5.264 -0.320 1.00 0.38 H new ATOM 0 HB VAL A 4 -2.060 -5.376 -2.685 1.00 0.43 H new ATOM 0 HG11 VAL A 4 -0.913 -7.580 -3.004 1.00 0.54 H new ATOM 0 HG12 VAL A 4 0.265 -6.246 -2.983 1.00 0.54 H new ATOM 0 HG13 VAL A 4 0.061 -7.276 -1.546 1.00 0.54 H new ATOM 0 HG21 VAL A 4 -3.017 -7.423 -1.679 1.00 0.53 H new ATOM 0 HG22 VAL A 4 -2.055 -7.151 -0.207 1.00 0.53 H new ATOM 0 HG23 VAL A 4 -3.331 -5.997 -0.663 1.00 0.53 H new ATOM 65 N ILE A 5 1.131 -3.798 -1.811 1.00 0.38 N ATOM 66 CA ILE A 5 1.950 -2.875 -2.642 1.00 0.42 C ATOM 67 C ILE A 5 2.644 -3.737 -3.700 1.00 0.44 C ATOM 68 O ILE A 5 3.509 -4.522 -3.361 1.00 0.53 O ATOM 69 CB ILE A 5 2.997 -2.177 -1.741 1.00 0.47 C ATOM 70 CG1 ILE A 5 2.337 -1.546 -0.486 1.00 0.53 C ATOM 71 CG2 ILE A 5 3.734 -1.090 -2.544 1.00 0.49 C ATOM 72 CD1 ILE A 5 1.390 -0.399 -0.869 1.00 1.66 C ATOM 0 H ILE A 5 1.664 -4.423 -1.206 1.00 0.38 H new ATOM 0 HA ILE A 5 1.341 -2.105 -3.115 1.00 0.42 H new ATOM 0 HB ILE A 5 3.708 -2.932 -1.404 1.00 0.47 H new ATOM 0 HG12 ILE A 5 1.783 -2.310 0.059 1.00 0.53 H new ATOM 0 HG13 ILE A 5 3.110 -1.173 0.185 1.00 0.53 H new ATOM 0 HG21 ILE A 5 4.470 -0.602 -1.905 1.00 0.49 H new ATOM 0 HG22 ILE A 5 4.239 -1.546 -3.396 1.00 0.49 H new ATOM 0 HG23 ILE A 5 3.016 -0.351 -2.901 1.00 0.49 H new ATOM 0 HD11 ILE A 5 0.944 0.021 0.033 1.00 1.66 H new ATOM 0 HD12 ILE A 5 1.950 0.376 -1.392 1.00 1.66 H new ATOM 0 HD13 ILE A 5 0.603 -0.779 -1.520 1.00 1.66 H new ATOM 84 N PHE A 6 2.227 -3.605 -4.938 1.00 0.52 N ATOM 85 CA PHE A 6 2.842 -4.412 -6.038 1.00 0.61 C ATOM 86 C PHE A 6 3.950 -3.558 -6.656 1.00 0.79 C ATOM 87 O PHE A 6 3.663 -2.540 -7.277 1.00 0.94 O ATOM 88 CB PHE A 6 1.802 -4.723 -7.133 1.00 0.71 C ATOM 89 CG PHE A 6 0.831 -5.848 -6.732 1.00 0.68 C ATOM 90 CD1 PHE A 6 -0.125 -5.657 -5.750 1.00 1.01 C ATOM 91 CD2 PHE A 6 0.856 -7.057 -7.407 1.00 0.80 C ATOM 92 CE1 PHE A 6 -1.039 -6.651 -5.459 1.00 1.18 C ATOM 93 CE2 PHE A 6 -0.056 -8.053 -7.115 1.00 0.89 C ATOM 94 CZ PHE A 6 -1.006 -7.848 -6.141 1.00 0.99 C ATOM 0 H PHE A 6 1.485 -2.971 -5.233 1.00 0.52 H new ATOM 0 HA PHE A 6 3.221 -5.353 -5.640 1.00 0.61 H new ATOM 0 HB2 PHE A 6 1.233 -3.820 -7.354 1.00 0.71 H new ATOM 0 HB3 PHE A 6 2.320 -5.006 -8.050 1.00 0.71 H new ATOM 0 HD1 PHE A 6 -0.157 -4.724 -5.207 1.00 1.01 H new ATOM 0 HD2 PHE A 6 1.599 -7.224 -8.173 1.00 0.80 H new ATOM 0 HE1 PHE A 6 -1.783 -6.489 -4.693 1.00 1.18 H new ATOM 0 HE2 PHE A 6 -0.023 -8.991 -7.650 1.00 0.89 H new ATOM 0 HZ PHE A 6 -1.723 -8.622 -5.912 1.00 0.99 H new ATOM 104 N GLY A 7 5.169 -3.926 -6.390 1.00 1.02 N ATOM 105 CA GLY A 7 6.324 -3.157 -6.935 1.00 1.23 C ATOM 106 C GLY A 7 7.461 -4.094 -7.341 1.00 1.36 C ATOM 107 O GLY A 7 7.235 -5.234 -7.713 1.00 1.51 O ATOM 0 H GLY A 7 5.419 -4.731 -5.815 1.00 1.02 H new ATOM 0 HA2 GLY A 7 6.003 -2.574 -7.798 1.00 1.23 H new ATOM 0 HA3 GLY A 7 6.680 -2.449 -6.186 1.00 1.23 H new ATOM 111 N ARG A 8 8.659 -3.564 -7.274 1.00 1.40 N ATOM 112 CA ARG A 8 9.889 -4.341 -7.627 1.00 1.58 C ATOM 113 C ARG A 8 10.901 -4.172 -6.477 1.00 1.71 C ATOM 114 O ARG A 8 10.507 -3.775 -5.394 1.00 2.30 O ATOM 115 CB ARG A 8 10.444 -3.822 -8.972 1.00 1.80 C ATOM 116 CG ARG A 8 10.757 -2.320 -8.892 1.00 2.39 C ATOM 117 CD ARG A 8 10.961 -1.776 -10.314 1.00 3.45 C ATOM 118 NE ARG A 8 11.198 -0.301 -10.234 1.00 5.09 N ATOM 119 CZ ARG A 8 10.181 0.490 -10.282 1.00 6.61 C ATOM 120 NH1 ARG A 8 9.718 0.813 -11.454 1.00 7.82 N ATOM 121 NH2 ARG A 8 9.685 0.892 -9.149 1.00 7.27 N ATOM 0 H ARG A 8 8.839 -2.603 -6.983 1.00 1.40 H new ATOM 0 HA ARG A 8 9.675 -5.403 -7.750 1.00 1.58 H new ATOM 0 HB2 ARG A 8 11.348 -4.373 -9.234 1.00 1.80 H new ATOM 0 HB3 ARG A 8 9.718 -4.005 -9.764 1.00 1.80 H new ATOM 0 HG2 ARG A 8 9.941 -1.791 -8.400 1.00 2.39 H new ATOM 0 HG3 ARG A 8 11.652 -2.153 -8.293 1.00 2.39 H new ATOM 0 HD2 ARG A 8 11.809 -2.270 -10.789 1.00 3.45 H new ATOM 0 HD3 ARG A 8 10.085 -1.985 -10.928 1.00 3.45 H new ATOM 0 HE ARG A 8 12.144 0.071 -10.143 1.00 5.09 H new ATOM 0 HH11 ARG A 8 10.158 0.443 -12.296 1.00 7.82 H new ATOM 0 HH12 ARG A 8 8.915 1.437 -11.531 1.00 7.82 H new ATOM 0 HH21 ARG A 8 10.101 0.581 -8.271 1.00 7.27 H new ATOM 0 HH22 ARG A 8 8.880 1.519 -9.138 1.00 7.27 H new ATOM 135 N SER A 9 12.160 -4.466 -6.697 1.00 2.47 N ATOM 136 CA SER A 9 13.151 -4.313 -5.584 1.00 2.70 C ATOM 137 C SER A 9 14.397 -3.566 -6.060 1.00 2.95 C ATOM 138 O SER A 9 14.878 -3.835 -7.146 1.00 3.89 O ATOM 139 CB SER A 9 13.538 -5.710 -5.097 1.00 2.81 C ATOM 140 OG SER A 9 13.935 -6.396 -6.284 1.00 3.96 O ATOM 0 H SER A 9 12.540 -4.800 -7.583 1.00 2.47 H new ATOM 0 HA SER A 9 12.704 -3.734 -4.776 1.00 2.70 H new ATOM 0 HB2 SER A 9 14.350 -5.668 -4.371 1.00 2.81 H new ATOM 0 HB3 SER A 9 12.700 -6.209 -4.610 1.00 2.81 H new ATOM 0 HG SER A 9 14.367 -5.765 -6.897 1.00 3.96 H new ATOM 146 N GLY A 10 14.913 -2.694 -5.223 1.00 2.70 N ATOM 147 CA GLY A 10 16.135 -1.913 -5.604 1.00 3.11 C ATOM 148 C GLY A 10 15.834 -0.415 -5.732 1.00 2.63 C ATOM 149 O GLY A 10 16.733 0.364 -5.986 1.00 2.98 O ATOM 0 H GLY A 10 14.542 -2.490 -4.295 1.00 2.70 H new ATOM 0 HA2 GLY A 10 16.912 -2.065 -4.855 1.00 3.11 H new ATOM 0 HA3 GLY A 10 16.526 -2.288 -6.550 1.00 3.11 H new ATOM 153 N CYS A 11 14.595 -0.040 -5.539 1.00 2.15 N ATOM 154 CA CYS A 11 14.222 1.400 -5.666 1.00 2.03 C ATOM 155 C CYS A 11 13.858 2.010 -4.300 1.00 2.11 C ATOM 156 O CYS A 11 12.736 1.902 -3.840 1.00 2.16 O ATOM 157 CB CYS A 11 13.039 1.503 -6.641 1.00 2.01 C ATOM 158 SG CYS A 11 11.869 0.122 -6.705 1.00 1.70 S ATOM 0 H CYS A 11 13.828 -0.668 -5.299 1.00 2.15 H new ATOM 0 HA CYS A 11 15.074 1.964 -6.046 1.00 2.03 H new ATOM 0 HB2 CYS A 11 12.479 2.404 -6.393 1.00 2.01 H new ATOM 0 HB3 CYS A 11 13.443 1.645 -7.643 1.00 2.01 H new ATOM 163 N PRO A 12 14.819 2.655 -3.660 1.00 2.57 N ATOM 164 CA PRO A 12 14.553 3.492 -2.463 1.00 2.74 C ATOM 165 C PRO A 12 13.203 4.216 -2.552 1.00 2.56 C ATOM 166 O PRO A 12 12.504 4.349 -1.570 1.00 2.75 O ATOM 167 CB PRO A 12 15.740 4.453 -2.431 1.00 3.44 C ATOM 168 CG PRO A 12 16.901 3.672 -3.086 1.00 4.02 C ATOM 169 CD PRO A 12 16.246 2.690 -4.080 1.00 3.23 C ATOM 0 HA PRO A 12 14.470 2.908 -1.546 1.00 2.74 H new ATOM 0 HB2 PRO A 12 15.521 5.369 -2.979 1.00 3.44 H new ATOM 0 HB3 PRO A 12 15.986 4.744 -1.410 1.00 3.44 H new ATOM 0 HG2 PRO A 12 17.585 4.348 -3.599 1.00 4.02 H new ATOM 0 HG3 PRO A 12 17.484 3.137 -2.336 1.00 4.02 H new ATOM 0 HD2 PRO A 12 16.351 3.033 -5.109 1.00 3.23 H new ATOM 0 HD3 PRO A 12 16.703 1.702 -4.025 1.00 3.23 H new ATOM 177 N TYR A 13 12.855 4.682 -3.722 1.00 2.50 N ATOM 178 CA TYR A 13 11.542 5.382 -3.827 1.00 2.55 C ATOM 179 C TYR A 13 10.413 4.373 -3.597 1.00 2.11 C ATOM 180 O TYR A 13 9.497 4.651 -2.851 1.00 2.22 O ATOM 181 CB TYR A 13 11.366 6.052 -5.198 1.00 2.93 C ATOM 182 CG TYR A 13 10.253 7.100 -5.054 1.00 2.69 C ATOM 183 CD1 TYR A 13 8.932 6.710 -4.948 1.00 2.52 C ATOM 184 CD2 TYR A 13 10.562 8.440 -4.911 1.00 3.28 C ATOM 185 CE1 TYR A 13 7.945 7.636 -4.686 1.00 2.79 C ATOM 186 CE2 TYR A 13 9.570 9.366 -4.645 1.00 3.50 C ATOM 187 CZ TYR A 13 8.254 8.965 -4.525 1.00 3.20 C ATOM 188 OH TYR A 13 7.268 9.862 -4.182 1.00 3.80 O ATOM 0 H TYR A 13 13.400 4.613 -4.581 1.00 2.50 H new ATOM 0 HA TYR A 13 11.510 6.164 -3.068 1.00 2.55 H new ATOM 0 HB2 TYR A 13 12.296 6.521 -5.519 1.00 2.93 H new ATOM 0 HB3 TYR A 13 11.103 5.314 -5.956 1.00 2.93 H new ATOM 0 HD1 TYR A 13 8.670 5.670 -5.072 1.00 2.52 H new ATOM 0 HD2 TYR A 13 11.587 8.766 -5.008 1.00 3.28 H new ATOM 0 HE1 TYR A 13 6.917 7.313 -4.606 1.00 2.79 H new ATOM 0 HE2 TYR A 13 9.826 10.409 -4.530 1.00 3.50 H new ATOM 0 HH TYR A 13 7.654 10.760 -4.107 1.00 3.80 H new ATOM 198 N CYS A 14 10.498 3.215 -4.210 1.00 1.73 N ATOM 199 CA CYS A 14 9.412 2.207 -3.997 1.00 1.43 C ATOM 200 C CYS A 14 9.248 2.007 -2.502 1.00 1.10 C ATOM 201 O CYS A 14 8.151 1.959 -1.990 1.00 1.11 O ATOM 202 CB CYS A 14 9.791 0.893 -4.660 1.00 1.27 C ATOM 203 SG CYS A 14 10.057 0.965 -6.434 1.00 2.03 S ATOM 0 H CYS A 14 11.253 2.929 -4.834 1.00 1.73 H new ATOM 0 HA CYS A 14 8.477 2.555 -4.436 1.00 1.43 H new ATOM 0 HB2 CYS A 14 10.700 0.519 -4.190 1.00 1.27 H new ATOM 0 HB3 CYS A 14 9.005 0.165 -4.458 1.00 1.27 H new ATOM 208 N VAL A 15 10.359 1.938 -1.823 1.00 0.95 N ATOM 209 CA VAL A 15 10.304 1.766 -0.334 1.00 0.73 C ATOM 210 C VAL A 15 9.312 2.773 0.310 1.00 0.69 C ATOM 211 O VAL A 15 8.600 2.426 1.235 1.00 0.69 O ATOM 212 CB VAL A 15 11.712 1.950 0.249 1.00 0.91 C ATOM 213 CG1 VAL A 15 11.676 1.761 1.772 1.00 0.96 C ATOM 214 CG2 VAL A 15 12.632 0.887 -0.360 1.00 1.02 C ATOM 0 H VAL A 15 11.295 1.992 -2.224 1.00 0.95 H new ATOM 0 HA VAL A 15 9.945 0.762 -0.108 1.00 0.73 H new ATOM 0 HB VAL A 15 12.076 2.952 0.019 1.00 0.91 H new ATOM 0 HG11 VAL A 15 12.679 1.893 2.179 1.00 0.96 H new ATOM 0 HG12 VAL A 15 11.005 2.497 2.214 1.00 0.96 H new ATOM 0 HG13 VAL A 15 11.319 0.758 2.006 1.00 0.96 H new ATOM 0 HG21 VAL A 15 13.638 1.002 0.043 1.00 1.02 H new ATOM 0 HG22 VAL A 15 12.254 -0.105 -0.114 1.00 1.02 H new ATOM 0 HG23 VAL A 15 12.659 1.007 -1.443 1.00 1.02 H new ATOM 224 N ARG A 16 9.279 3.995 -0.185 1.00 0.78 N ATOM 225 CA ARG A 16 8.347 5.041 0.389 1.00 0.83 C ATOM 226 C ARG A 16 6.906 4.547 0.514 1.00 0.83 C ATOM 227 O ARG A 16 6.136 5.095 1.286 1.00 1.29 O ATOM 228 CB ARG A 16 8.421 6.314 -0.462 1.00 1.03 C ATOM 229 CG ARG A 16 9.839 6.926 -0.367 1.00 1.70 C ATOM 230 CD ARG A 16 10.181 7.274 1.098 1.00 2.36 C ATOM 231 NE ARG A 16 10.694 6.049 1.803 1.00 3.32 N ATOM 232 CZ ARG A 16 11.762 6.096 2.534 1.00 4.56 C ATOM 233 NH1 ARG A 16 12.838 6.601 2.020 1.00 5.79 N ATOM 234 NH2 ARG A 16 11.700 5.614 3.741 1.00 5.25 N ATOM 0 H ARG A 16 9.856 4.317 -0.962 1.00 0.78 H new ATOM 0 HA ARG A 16 8.679 5.260 1.404 1.00 0.83 H new ATOM 0 HB2 ARG A 16 8.184 6.083 -1.500 1.00 1.03 H new ATOM 0 HB3 ARG A 16 7.680 7.036 -0.119 1.00 1.03 H new ATOM 0 HG2 ARG A 16 10.572 6.222 -0.760 1.00 1.70 H new ATOM 0 HG3 ARG A 16 9.896 7.823 -0.983 1.00 1.70 H new ATOM 0 HD2 ARG A 16 10.931 8.064 1.129 1.00 2.36 H new ATOM 0 HD3 ARG A 16 9.296 7.655 1.608 1.00 2.36 H new ATOM 0 HE ARG A 16 10.193 5.166 1.704 1.00 3.32 H new ATOM 0 HH11 ARG A 16 12.830 6.950 1.061 1.00 5.79 H new ATOM 0 HH12 ARG A 16 13.693 6.650 2.574 1.00 5.79 H new ATOM 0 HH21 ARG A 16 10.828 5.214 4.086 1.00 5.25 H new ATOM 0 HH22 ARG A 16 12.524 5.636 4.342 1.00 5.25 H new ATOM 248 N ALA A 17 6.559 3.535 -0.227 1.00 0.83 N ATOM 249 CA ALA A 17 5.178 2.998 -0.101 1.00 0.79 C ATOM 250 C ALA A 17 5.160 2.118 1.146 1.00 0.76 C ATOM 251 O ALA A 17 4.258 2.201 1.959 1.00 0.78 O ATOM 252 CB ALA A 17 4.832 2.177 -1.342 1.00 0.82 C ATOM 0 H ALA A 17 7.159 3.063 -0.903 1.00 0.83 H new ATOM 0 HA ALA A 17 4.444 3.799 -0.016 1.00 0.79 H new ATOM 0 HB1 ALA A 17 3.820 1.784 -1.248 1.00 0.82 H new ATOM 0 HB2 ALA A 17 4.895 2.811 -2.227 1.00 0.82 H new ATOM 0 HB3 ALA A 17 5.535 1.349 -1.438 1.00 0.82 H new ATOM 258 N LYS A 18 6.189 1.321 1.285 1.00 0.77 N ATOM 259 CA LYS A 18 6.270 0.431 2.467 1.00 0.77 C ATOM 260 C LYS A 18 6.200 1.288 3.727 1.00 0.68 C ATOM 261 O LYS A 18 5.461 0.987 4.626 1.00 0.70 O ATOM 262 CB LYS A 18 7.591 -0.367 2.408 1.00 0.89 C ATOM 263 CG LYS A 18 8.013 -0.865 3.802 1.00 1.13 C ATOM 264 CD LYS A 18 8.975 0.150 4.449 1.00 1.42 C ATOM 265 CE LYS A 18 9.203 -0.224 5.916 1.00 1.79 C ATOM 266 NZ LYS A 18 9.634 0.967 6.707 1.00 2.69 N ATOM 0 H LYS A 18 6.969 1.253 0.632 1.00 0.77 H new ATOM 0 HA LYS A 18 5.442 -0.278 2.478 1.00 0.77 H new ATOM 0 HB2 LYS A 18 7.473 -1.218 1.737 1.00 0.89 H new ATOM 0 HB3 LYS A 18 8.378 0.261 1.991 1.00 0.89 H new ATOM 0 HG2 LYS A 18 7.134 -0.999 4.432 1.00 1.13 H new ATOM 0 HG3 LYS A 18 8.498 -1.838 3.720 1.00 1.13 H new ATOM 0 HD2 LYS A 18 9.924 0.159 3.914 1.00 1.42 H new ATOM 0 HD3 LYS A 18 8.560 1.155 4.380 1.00 1.42 H new ATOM 0 HE2 LYS A 18 8.285 -0.634 6.338 1.00 1.79 H new ATOM 0 HE3 LYS A 18 9.961 -1.004 5.983 1.00 1.79 H new ATOM 0 HZ1 LYS A 18 10.570 0.787 7.123 1.00 2.69 H new ATOM 0 HZ2 LYS A 18 9.686 1.798 6.083 1.00 2.69 H new ATOM 0 HZ3 LYS A 18 8.947 1.146 7.467 1.00 2.69 H new ATOM 280 N ASP A 19 6.955 2.342 3.753 1.00 0.64 N ATOM 281 CA ASP A 19 6.940 3.203 4.963 1.00 0.64 C ATOM 282 C ASP A 19 5.522 3.619 5.319 1.00 0.58 C ATOM 283 O ASP A 19 5.136 3.554 6.465 1.00 0.62 O ATOM 284 CB ASP A 19 7.802 4.428 4.704 1.00 0.73 C ATOM 285 CG ASP A 19 9.187 3.953 4.298 1.00 1.87 C ATOM 286 OD1 ASP A 19 9.857 3.416 5.158 1.00 3.01 O ATOM 287 OD2 ASP A 19 9.507 4.144 3.147 1.00 2.77 O ATOM 0 H ASP A 19 7.575 2.644 3.001 1.00 0.64 H new ATOM 0 HA ASP A 19 7.340 2.641 5.807 1.00 0.64 H new ATOM 0 HB2 ASP A 19 7.364 5.042 3.917 1.00 0.73 H new ATOM 0 HB3 ASP A 19 7.859 5.049 5.598 1.00 0.73 H new ATOM 292 N LEU A 20 4.764 4.001 4.328 1.00 0.58 N ATOM 293 CA LEU A 20 3.367 4.435 4.608 1.00 0.59 C ATOM 294 C LEU A 20 2.516 3.217 4.969 1.00 0.61 C ATOM 295 O LEU A 20 1.970 3.168 6.053 1.00 0.78 O ATOM 296 CB LEU A 20 2.797 5.150 3.369 1.00 0.59 C ATOM 297 CG LEU A 20 1.390 5.725 3.655 1.00 0.63 C ATOM 298 CD1 LEU A 20 1.434 6.749 4.805 1.00 0.81 C ATOM 299 CD2 LEU A 20 0.877 6.431 2.391 1.00 0.71 C ATOM 0 H LEU A 20 5.047 4.031 3.349 1.00 0.58 H new ATOM 0 HA LEU A 20 3.354 5.128 5.449 1.00 0.59 H new ATOM 0 HB2 LEU A 20 3.468 5.955 3.069 1.00 0.59 H new ATOM 0 HB3 LEU A 20 2.745 4.451 2.534 1.00 0.59 H new ATOM 0 HG LEU A 20 0.731 4.905 3.940 1.00 0.63 H new ATOM 0 HD11 LEU A 20 0.432 7.137 4.985 1.00 0.81 H new ATOM 0 HD12 LEU A 20 1.803 6.265 5.709 1.00 0.81 H new ATOM 0 HD13 LEU A 20 2.098 7.570 4.536 1.00 0.81 H new ATOM 0 HD21 LEU A 20 -0.115 6.841 2.580 1.00 0.71 H new ATOM 0 HD22 LEU A 20 1.558 7.239 2.123 1.00 0.71 H new ATOM 0 HD23 LEU A 20 0.823 5.715 1.571 1.00 0.71 H new ATOM 311 N ALA A 21 2.450 2.247 4.086 1.00 0.59 N ATOM 312 CA ALA A 21 1.626 1.030 4.399 1.00 0.79 C ATOM 313 C ALA A 21 1.982 0.530 5.796 1.00 0.89 C ATOM 314 O ALA A 21 1.112 0.192 6.577 1.00 1.13 O ATOM 315 CB ALA A 21 1.898 -0.086 3.384 1.00 0.91 C ATOM 0 H ALA A 21 2.919 2.241 3.180 1.00 0.59 H new ATOM 0 HA ALA A 21 0.571 1.300 4.349 1.00 0.79 H new ATOM 0 HB1 ALA A 21 1.291 -0.957 3.630 1.00 0.91 H new ATOM 0 HB2 ALA A 21 1.644 0.263 2.383 1.00 0.91 H new ATOM 0 HB3 ALA A 21 2.953 -0.358 3.416 1.00 0.91 H new ATOM 321 N GLU A 22 3.256 0.514 6.079 1.00 0.78 N ATOM 322 CA GLU A 22 3.696 0.062 7.416 1.00 0.93 C ATOM 323 C GLU A 22 3.206 1.041 8.469 1.00 0.93 C ATOM 324 O GLU A 22 2.401 0.669 9.288 1.00 1.17 O ATOM 325 CB GLU A 22 5.216 -0.005 7.487 1.00 1.07 C ATOM 326 CG GLU A 22 5.607 -0.651 8.832 1.00 1.32 C ATOM 327 CD GLU A 22 6.986 -0.173 9.301 1.00 1.65 C ATOM 328 OE1 GLU A 22 7.720 0.337 8.473 1.00 2.37 O ATOM 329 OE2 GLU A 22 7.246 -0.362 10.470 1.00 2.72 O ATOM 0 H GLU A 22 4.002 0.794 5.442 1.00 0.78 H new ATOM 0 HA GLU A 22 3.282 -0.930 7.596 1.00 0.93 H new ATOM 0 HB2 GLU A 22 5.610 -0.590 6.656 1.00 1.07 H new ATOM 0 HB3 GLU A 22 5.645 0.994 7.406 1.00 1.07 H new ATOM 0 HG2 GLU A 22 4.859 -0.406 9.586 1.00 1.32 H new ATOM 0 HG3 GLU A 22 5.612 -1.736 8.729 1.00 1.32 H new ATOM 336 N LYS A 23 3.702 2.256 8.422 1.00 0.88 N ATOM 337 CA LYS A 23 3.296 3.297 9.417 1.00 0.97 C ATOM 338 C LYS A 23 1.817 3.170 9.795 1.00 0.86 C ATOM 339 O LYS A 23 1.445 3.168 10.958 1.00 0.99 O ATOM 340 CB LYS A 23 3.553 4.675 8.785 1.00 1.04 C ATOM 341 CG LYS A 23 2.949 5.801 9.637 1.00 1.30 C ATOM 342 CD LYS A 23 3.698 5.929 10.970 1.00 2.55 C ATOM 343 CE LYS A 23 2.858 6.781 11.922 1.00 3.51 C ATOM 344 NZ LYS A 23 2.564 8.111 11.312 1.00 3.60 N ATOM 0 H LYS A 23 4.379 2.572 7.728 1.00 0.88 H new ATOM 0 HA LYS A 23 3.877 3.168 10.330 1.00 0.97 H new ATOM 0 HB2 LYS A 23 4.626 4.833 8.677 1.00 1.04 H new ATOM 0 HB3 LYS A 23 3.124 4.704 7.783 1.00 1.04 H new ATOM 0 HG2 LYS A 23 3.000 6.744 9.093 1.00 1.30 H new ATOM 0 HG3 LYS A 23 1.895 5.598 9.824 1.00 1.30 H new ATOM 0 HD2 LYS A 23 3.875 4.943 11.401 1.00 2.55 H new ATOM 0 HD3 LYS A 23 4.674 6.388 10.813 1.00 2.55 H new ATOM 0 HE2 LYS A 23 1.925 6.266 12.153 1.00 3.51 H new ATOM 0 HE3 LYS A 23 3.390 6.916 12.864 1.00 3.51 H new ATOM 0 HZ1 LYS A 23 2.453 8.821 12.064 1.00 3.60 H new ATOM 0 HZ2 LYS A 23 3.348 8.388 10.688 1.00 3.60 H new ATOM 0 HZ3 LYS A 23 1.685 8.053 10.759 1.00 3.60 H new ATOM 358 N LEU A 24 1.004 3.107 8.792 1.00 0.71 N ATOM 359 CA LEU A 24 -0.459 2.999 9.034 1.00 0.67 C ATOM 360 C LEU A 24 -0.800 1.897 10.031 1.00 0.59 C ATOM 361 O LEU A 24 -1.663 2.086 10.858 1.00 0.69 O ATOM 362 CB LEU A 24 -1.121 2.723 7.681 1.00 0.70 C ATOM 363 CG LEU A 24 -0.935 3.946 6.776 1.00 0.99 C ATOM 364 CD1 LEU A 24 -1.490 3.649 5.383 1.00 1.04 C ATOM 365 CD2 LEU A 24 -1.695 5.129 7.366 1.00 1.26 C ATOM 0 H LEU A 24 1.284 3.125 7.811 1.00 0.71 H new ATOM 0 HA LEU A 24 -0.826 3.927 9.473 1.00 0.67 H new ATOM 0 HB2 LEU A 24 -0.678 1.841 7.218 1.00 0.70 H new ATOM 0 HB3 LEU A 24 -2.182 2.513 7.817 1.00 0.70 H new ATOM 0 HG LEU A 24 0.127 4.180 6.705 1.00 0.99 H new ATOM 0 HD11 LEU A 24 -1.355 4.522 4.744 1.00 1.04 H new ATOM 0 HD12 LEU A 24 -0.959 2.799 4.953 1.00 1.04 H new ATOM 0 HD13 LEU A 24 -2.552 3.414 5.457 1.00 1.04 H new ATOM 0 HD21 LEU A 24 -1.565 6.001 6.725 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -2.755 4.883 7.434 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -1.309 5.350 8.361 1.00 1.26 H new ATOM 377 N SER A 25 -0.127 0.790 9.935 1.00 0.57 N ATOM 378 CA SER A 25 -0.401 -0.349 10.872 1.00 0.62 C ATOM 379 C SER A 25 -0.396 0.111 12.340 1.00 0.83 C ATOM 380 O SER A 25 -0.807 -0.622 13.220 1.00 0.97 O ATOM 381 CB SER A 25 0.656 -1.428 10.646 1.00 0.86 C ATOM 382 OG SER A 25 0.583 -1.694 9.244 1.00 1.25 O ATOM 0 H SER A 25 0.606 0.616 9.248 1.00 0.57 H new ATOM 0 HA SER A 25 -1.395 -0.747 10.666 1.00 0.62 H new ATOM 0 HB2 SER A 25 1.648 -1.082 10.936 1.00 0.86 H new ATOM 0 HB3 SER A 25 0.446 -2.322 11.233 1.00 0.86 H new ATOM 0 HG SER A 25 1.388 -2.175 8.960 1.00 1.25 H new ATOM 388 N ASN A 26 0.084 1.306 12.561 1.00 1.08 N ATOM 389 CA ASN A 26 0.130 1.881 13.932 1.00 1.49 C ATOM 390 C ASN A 26 -0.788 3.098 14.048 1.00 1.65 C ATOM 391 O ASN A 26 -1.477 3.248 15.040 1.00 2.37 O ATOM 392 CB ASN A 26 1.557 2.332 14.242 1.00 1.73 C ATOM 393 CG ASN A 26 2.399 1.117 14.599 1.00 1.79 C ATOM 394 OD1 ASN A 26 2.410 0.678 15.721 1.00 2.39 O ATOM 395 ND2 ASN A 26 3.103 0.536 13.678 1.00 2.49 N ATOM 0 H ASN A 26 0.453 1.918 11.833 1.00 1.08 H new ATOM 0 HA ASN A 26 -0.199 1.114 14.632 1.00 1.49 H new ATOM 0 HB2 ASN A 26 1.984 2.845 13.380 1.00 1.73 H new ATOM 0 HB3 ASN A 26 1.555 3.043 15.068 1.00 1.73 H new ATOM 0 HD21 ASN A 26 3.661 -0.287 13.906 1.00 2.49 H new ATOM 0 HD22 ASN A 26 3.099 0.902 12.726 1.00 2.49 H new ATOM 402 N GLU A 27 -0.784 3.944 13.035 1.00 1.43 N ATOM 403 CA GLU A 27 -1.634 5.175 13.109 1.00 1.69 C ATOM 404 C GLU A 27 -3.101 4.926 12.737 1.00 1.93 C ATOM 405 O GLU A 27 -3.943 5.787 12.935 1.00 2.58 O ATOM 406 CB GLU A 27 -1.044 6.277 12.202 1.00 1.70 C ATOM 407 CG GLU A 27 -0.845 5.857 10.756 1.00 2.80 C ATOM 408 CD GLU A 27 -0.654 7.136 9.919 1.00 2.96 C ATOM 409 OE1 GLU A 27 -1.686 7.678 9.526 1.00 3.69 O ATOM 410 OE2 GLU A 27 0.503 7.518 9.755 1.00 2.97 O ATOM 0 H GLU A 27 -0.239 3.835 12.179 1.00 1.43 H new ATOM 0 HA GLU A 27 -1.626 5.496 14.151 1.00 1.69 H new ATOM 0 HB2 GLU A 27 -1.703 7.145 12.229 1.00 1.70 H new ATOM 0 HB3 GLU A 27 -0.085 6.593 12.612 1.00 1.70 H new ATOM 0 HG2 GLU A 27 0.024 5.206 10.663 1.00 2.80 H new ATOM 0 HG3 GLU A 27 -1.706 5.292 10.400 1.00 2.80 H new ATOM 417 N ARG A 28 -3.381 3.772 12.210 1.00 1.57 N ATOM 418 CA ARG A 28 -4.790 3.465 11.834 1.00 1.83 C ATOM 419 C ARG A 28 -5.415 2.488 12.820 1.00 1.81 C ATOM 420 O ARG A 28 -4.787 2.052 13.759 1.00 2.01 O ATOM 421 CB ARG A 28 -4.823 2.880 10.413 1.00 1.79 C ATOM 422 CG ARG A 28 -5.321 3.947 9.422 1.00 2.33 C ATOM 423 CD ARG A 28 -4.486 5.229 9.561 1.00 2.46 C ATOM 424 NE ARG A 28 -4.933 6.213 8.533 1.00 3.76 N ATOM 425 CZ ARG A 28 -5.464 7.332 8.911 1.00 4.07 C ATOM 426 NH1 ARG A 28 -6.750 7.363 9.093 1.00 4.12 N ATOM 427 NH2 ARG A 28 -4.683 8.359 9.085 1.00 5.20 N ATOM 0 H ARG A 28 -2.705 3.032 12.023 1.00 1.57 H new ATOM 0 HA ARG A 28 -5.370 4.387 11.862 1.00 1.83 H new ATOM 0 HB2 ARG A 28 -3.828 2.540 10.126 1.00 1.79 H new ATOM 0 HB3 ARG A 28 -5.478 2.009 10.383 1.00 1.79 H new ATOM 0 HG2 ARG A 28 -5.252 3.568 8.402 1.00 2.33 H new ATOM 0 HG3 ARG A 28 -6.372 4.166 9.610 1.00 2.33 H new ATOM 0 HD2 ARG A 28 -4.604 5.649 10.560 1.00 2.46 H new ATOM 0 HD3 ARG A 28 -3.427 5.005 9.432 1.00 2.46 H new ATOM 0 HE ARG A 28 -4.821 6.006 7.540 1.00 3.76 H new ATOM 0 HH11 ARG A 28 -7.307 6.523 8.938 1.00 4.12 H new ATOM 0 HH12 ARG A 28 -7.202 8.227 9.391 1.00 4.12 H new ATOM 0 HH21 ARG A 28 -3.680 8.270 8.924 1.00 5.20 H new ATOM 0 HH22 ARG A 28 -5.074 9.253 9.382 1.00 5.20 H new ATOM 441 N ASP A 29 -6.631 2.130 12.527 1.00 2.35 N ATOM 442 CA ASP A 29 -7.402 1.206 13.406 1.00 2.71 C ATOM 443 C ASP A 29 -6.884 -0.241 13.318 1.00 1.69 C ATOM 444 O ASP A 29 -6.430 -0.788 14.304 1.00 2.47 O ATOM 445 CB ASP A 29 -8.880 1.308 12.967 1.00 3.76 C ATOM 446 CG ASP A 29 -8.978 1.429 11.435 1.00 5.13 C ATOM 447 OD1 ASP A 29 -9.019 0.388 10.808 1.00 5.96 O ATOM 448 OD2 ASP A 29 -8.940 2.562 10.980 1.00 6.04 O ATOM 0 H ASP A 29 -7.135 2.445 11.698 1.00 2.35 H new ATOM 0 HA ASP A 29 -7.287 1.491 14.452 1.00 2.71 H new ATOM 0 HB2 ASP A 29 -9.428 0.428 13.304 1.00 3.76 H new ATOM 0 HB3 ASP A 29 -9.347 2.174 13.437 1.00 3.76 H new ATOM 453 N ASP A 30 -6.982 -0.835 12.161 1.00 1.13 N ATOM 454 CA ASP A 30 -6.481 -2.246 11.973 1.00 1.50 C ATOM 455 C ASP A 30 -5.376 -2.258 10.917 1.00 1.78 C ATOM 456 O ASP A 30 -4.360 -2.907 11.074 1.00 3.55 O ATOM 457 CB ASP A 30 -7.641 -3.147 11.516 1.00 2.33 C ATOM 458 CG ASP A 30 -7.100 -4.399 10.802 1.00 3.94 C ATOM 459 OD1 ASP A 30 -6.523 -5.229 11.485 1.00 5.47 O ATOM 460 OD2 ASP A 30 -7.272 -4.445 9.593 1.00 4.18 O ATOM 0 H ASP A 30 -7.388 -0.410 11.327 1.00 1.13 H new ATOM 0 HA ASP A 30 -6.084 -2.619 12.917 1.00 1.50 H new ATOM 0 HB2 ASP A 30 -8.241 -3.442 12.377 1.00 2.33 H new ATOM 0 HB3 ASP A 30 -8.297 -2.593 10.845 1.00 2.33 H new ATOM 465 N PHE A 31 -5.652 -1.528 9.868 1.00 0.75 N ATOM 466 CA PHE A 31 -4.725 -1.379 8.699 1.00 0.60 C ATOM 467 C PHE A 31 -3.503 -2.308 8.714 1.00 0.61 C ATOM 468 O PHE A 31 -2.496 -2.011 9.326 1.00 0.76 O ATOM 469 CB PHE A 31 -4.239 0.079 8.644 1.00 0.57 C ATOM 470 CG PHE A 31 -3.587 0.345 7.278 1.00 0.51 C ATOM 471 CD1 PHE A 31 -2.321 -0.140 6.985 1.00 0.52 C ATOM 472 CD2 PHE A 31 -4.296 1.006 6.291 1.00 0.65 C ATOM 473 CE1 PHE A 31 -1.786 0.025 5.728 1.00 0.57 C ATOM 474 CE2 PHE A 31 -3.756 1.170 5.034 1.00 0.74 C ATOM 475 CZ PHE A 31 -2.503 0.673 4.752 1.00 0.66 C ATOM 0 H PHE A 31 -6.522 -1.005 9.768 1.00 0.75 H new ATOM 0 HA PHE A 31 -5.302 -1.663 7.819 1.00 0.60 H new ATOM 0 HB2 PHE A 31 -5.076 0.760 8.799 1.00 0.57 H new ATOM 0 HB3 PHE A 31 -3.523 0.266 9.444 1.00 0.57 H new ATOM 0 HD1 PHE A 31 -1.752 -0.650 7.748 1.00 0.52 H new ATOM 0 HD2 PHE A 31 -5.280 1.396 6.507 1.00 0.65 H new ATOM 0 HE1 PHE A 31 -0.800 -0.356 5.508 1.00 0.57 H new ATOM 0 HE2 PHE A 31 -4.316 1.689 4.270 1.00 0.74 H new ATOM 0 HZ PHE A 31 -2.084 0.793 3.764 1.00 0.66 H new ATOM 485 N GLN A 32 -3.617 -3.410 8.021 1.00 0.66 N ATOM 486 CA GLN A 32 -2.471 -4.353 7.932 1.00 0.74 C ATOM 487 C GLN A 32 -2.014 -4.312 6.473 1.00 0.69 C ATOM 488 O GLN A 32 -2.768 -3.904 5.603 1.00 1.11 O ATOM 489 CB GLN A 32 -2.918 -5.772 8.324 1.00 0.96 C ATOM 490 CG GLN A 32 -3.317 -5.778 9.808 1.00 1.33 C ATOM 491 CD GLN A 32 -3.580 -7.214 10.271 1.00 2.17 C ATOM 492 OE1 GLN A 32 -2.818 -8.119 9.993 1.00 3.27 O ATOM 493 NE2 GLN A 32 -4.634 -7.459 10.998 1.00 2.76 N ATOM 0 H GLN A 32 -4.455 -3.695 7.514 1.00 0.66 H new ATOM 0 HA GLN A 32 -1.663 -4.076 8.609 1.00 0.74 H new ATOM 0 HB2 GLN A 32 -3.760 -6.086 7.706 1.00 0.96 H new ATOM 0 HB3 GLN A 32 -2.111 -6.483 8.148 1.00 0.96 H new ATOM 0 HG2 GLN A 32 -2.524 -5.332 10.409 1.00 1.33 H new ATOM 0 HG3 GLN A 32 -4.209 -5.170 9.956 1.00 1.33 H new ATOM 0 HE21 GLN A 32 -5.277 -6.704 11.235 1.00 2.76 H new ATOM 0 HE22 GLN A 32 -4.815 -8.406 11.330 1.00 2.76 H new ATOM 502 N TYR A 33 -0.808 -4.698 6.201 1.00 0.61 N ATOM 503 CA TYR A 33 -0.358 -4.646 4.788 1.00 0.53 C ATOM 504 C TYR A 33 0.693 -5.709 4.520 1.00 0.57 C ATOM 505 O TYR A 33 1.252 -6.284 5.436 1.00 0.64 O ATOM 506 CB TYR A 33 0.242 -3.262 4.505 1.00 0.52 C ATOM 507 CG TYR A 33 1.611 -3.164 5.180 1.00 0.48 C ATOM 508 CD1 TYR A 33 1.712 -3.092 6.556 1.00 0.56 C ATOM 509 CD2 TYR A 33 2.766 -3.238 4.423 1.00 0.66 C ATOM 510 CE1 TYR A 33 2.946 -3.114 7.166 1.00 0.72 C ATOM 511 CE2 TYR A 33 3.997 -3.254 5.034 1.00 0.78 C ATOM 512 CZ TYR A 33 4.098 -3.194 6.406 1.00 0.78 C ATOM 513 OH TYR A 33 5.337 -3.249 7.000 1.00 1.02 O ATOM 0 H TYR A 33 -0.125 -5.041 6.877 1.00 0.61 H new ATOM 0 HA TYR A 33 -1.214 -4.829 4.139 1.00 0.53 H new ATOM 0 HB2 TYR A 33 0.340 -3.107 3.431 1.00 0.52 H new ATOM 0 HB3 TYR A 33 -0.419 -2.481 4.880 1.00 0.52 H new ATOM 0 HD1 TYR A 33 0.818 -3.018 7.157 1.00 0.56 H new ATOM 0 HD2 TYR A 33 2.700 -3.283 3.346 1.00 0.66 H new ATOM 0 HE1 TYR A 33 3.014 -3.069 8.243 1.00 0.72 H new ATOM 0 HE2 TYR A 33 4.892 -3.314 4.433 1.00 0.78 H new ATOM 0 HH TYR A 33 6.029 -3.303 6.308 1.00 1.02 H new ATOM 523 N GLN A 34 0.911 -5.942 3.262 1.00 0.57 N ATOM 524 CA GLN A 34 1.940 -6.920 2.827 1.00 0.64 C ATOM 525 C GLN A 34 2.577 -6.374 1.543 1.00 0.52 C ATOM 526 O GLN A 34 1.945 -5.613 0.823 1.00 0.46 O ATOM 527 CB GLN A 34 1.264 -8.282 2.584 1.00 0.78 C ATOM 528 CG GLN A 34 2.321 -9.391 2.413 1.00 1.36 C ATOM 529 CD GLN A 34 3.349 -9.312 3.543 1.00 2.87 C ATOM 530 OE1 GLN A 34 4.413 -8.757 3.366 1.00 3.98 O ATOM 531 NE2 GLN A 34 3.068 -9.806 4.711 1.00 4.00 N ATOM 0 H GLN A 34 0.409 -5.486 2.500 1.00 0.57 H new ATOM 0 HA GLN A 34 2.712 -7.060 3.583 1.00 0.64 H new ATOM 0 HB2 GLN A 34 0.609 -8.523 3.421 1.00 0.78 H new ATOM 0 HB3 GLN A 34 0.638 -8.229 1.694 1.00 0.78 H new ATOM 0 HG2 GLN A 34 1.839 -10.368 2.417 1.00 1.36 H new ATOM 0 HG3 GLN A 34 2.819 -9.285 1.449 1.00 1.36 H new ATOM 0 HE21 GLN A 34 2.175 -10.274 4.865 1.00 4.00 H new ATOM 0 HE22 GLN A 34 3.741 -9.726 5.474 1.00 4.00 H new ATOM 540 N TYR A 35 3.792 -6.766 1.262 1.00 0.65 N ATOM 541 CA TYR A 35 4.431 -6.242 0.016 1.00 0.75 C ATOM 542 C TYR A 35 4.478 -7.352 -1.023 1.00 0.71 C ATOM 543 O TYR A 35 4.595 -8.515 -0.681 1.00 0.75 O ATOM 544 CB TYR A 35 5.854 -5.749 0.325 1.00 1.00 C ATOM 545 CG TYR A 35 6.450 -5.072 -0.926 1.00 1.15 C ATOM 546 CD1 TYR A 35 7.017 -5.827 -1.936 1.00 1.37 C ATOM 547 CD2 TYR A 35 6.415 -3.697 -1.070 1.00 1.23 C ATOM 548 CE1 TYR A 35 7.538 -5.221 -3.065 1.00 1.55 C ATOM 549 CE2 TYR A 35 6.940 -3.092 -2.199 1.00 1.40 C ATOM 550 CZ TYR A 35 7.507 -3.847 -3.203 1.00 1.51 C ATOM 551 OH TYR A 35 8.058 -3.238 -4.316 1.00 1.70 O ATOM 0 H TYR A 35 4.356 -7.406 1.821 1.00 0.65 H new ATOM 0 HA TYR A 35 3.848 -5.406 -0.371 1.00 0.75 H new ATOM 0 HB2 TYR A 35 5.833 -5.045 1.157 1.00 1.00 H new ATOM 0 HB3 TYR A 35 6.481 -6.586 0.632 1.00 1.00 H new ATOM 0 HD1 TYR A 35 7.054 -6.902 -1.842 1.00 1.37 H new ATOM 0 HD2 TYR A 35 5.974 -3.089 -0.294 1.00 1.23 H new ATOM 0 HE1 TYR A 35 7.973 -5.828 -3.846 1.00 1.55 H new ATOM 0 HE2 TYR A 35 6.905 -2.017 -2.294 1.00 1.40 H new ATOM 0 HH TYR A 35 8.939 -3.626 -4.498 1.00 1.70 H new ATOM 561 N VAL A 36 4.382 -6.955 -2.259 1.00 0.71 N ATOM 562 CA VAL A 36 4.411 -7.920 -3.374 1.00 0.70 C ATOM 563 C VAL A 36 5.421 -7.427 -4.424 1.00 0.82 C ATOM 564 O VAL A 36 5.343 -6.294 -4.874 1.00 1.13 O ATOM 565 CB VAL A 36 2.962 -7.994 -3.900 1.00 0.62 C ATOM 566 CG1 VAL A 36 2.922 -8.283 -5.402 1.00 0.68 C ATOM 567 CG2 VAL A 36 2.225 -9.117 -3.157 1.00 0.57 C ATOM 0 H VAL A 36 4.283 -5.980 -2.542 1.00 0.71 H new ATOM 0 HA VAL A 36 4.737 -8.919 -3.086 1.00 0.70 H new ATOM 0 HB VAL A 36 2.484 -7.030 -3.727 1.00 0.62 H new ATOM 0 HG11 VAL A 36 1.886 -8.328 -5.736 1.00 0.68 H new ATOM 0 HG12 VAL A 36 3.443 -7.490 -5.939 1.00 0.68 H new ATOM 0 HG13 VAL A 36 3.409 -9.237 -5.602 1.00 0.68 H new ATOM 0 HG21 VAL A 36 1.199 -9.181 -3.519 1.00 0.57 H new ATOM 0 HG22 VAL A 36 2.732 -10.065 -3.335 1.00 0.57 H new ATOM 0 HG23 VAL A 36 2.220 -8.904 -2.088 1.00 0.57 H new ATOM 577 N ASP A 37 6.351 -8.279 -4.767 1.00 0.62 N ATOM 578 CA ASP A 37 7.400 -7.917 -5.777 1.00 0.73 C ATOM 579 C ASP A 37 7.109 -8.711 -7.048 1.00 0.71 C ATOM 580 O ASP A 37 7.053 -9.929 -7.019 1.00 0.93 O ATOM 581 CB ASP A 37 8.789 -8.298 -5.212 1.00 0.79 C ATOM 582 CG ASP A 37 9.955 -7.825 -6.106 1.00 1.03 C ATOM 583 OD1 ASP A 37 9.745 -7.712 -7.305 1.00 1.94 O ATOM 584 OD2 ASP A 37 11.025 -7.643 -5.539 1.00 1.59 O ATOM 0 H ASP A 37 6.433 -9.222 -4.388 1.00 0.62 H new ATOM 0 HA ASP A 37 7.391 -6.849 -5.995 1.00 0.73 H new ATOM 0 HB2 ASP A 37 8.902 -7.865 -4.218 1.00 0.79 H new ATOM 0 HB3 ASP A 37 8.843 -9.380 -5.096 1.00 0.79 H new ATOM 589 N ILE A 38 6.933 -8.020 -8.134 1.00 0.85 N ATOM 590 CA ILE A 38 6.631 -8.722 -9.412 1.00 0.94 C ATOM 591 C ILE A 38 7.649 -9.833 -9.707 1.00 0.92 C ATOM 592 O ILE A 38 7.277 -10.862 -10.244 1.00 1.12 O ATOM 593 CB ILE A 38 6.583 -7.698 -10.559 1.00 1.19 C ATOM 594 CG1 ILE A 38 7.915 -6.948 -10.645 1.00 1.35 C ATOM 595 CG2 ILE A 38 5.435 -6.714 -10.285 1.00 1.28 C ATOM 596 CD1 ILE A 38 7.928 -6.034 -11.885 1.00 1.48 C ATOM 0 H ILE A 38 6.984 -7.003 -8.195 1.00 0.85 H new ATOM 0 HA ILE A 38 5.658 -9.204 -9.319 1.00 0.94 H new ATOM 0 HB ILE A 38 6.414 -8.206 -11.508 1.00 1.19 H new ATOM 0 HG12 ILE A 38 8.066 -6.354 -9.744 1.00 1.35 H new ATOM 0 HG13 ILE A 38 8.739 -7.659 -10.699 1.00 1.35 H new ATOM 0 HG21 ILE A 38 5.386 -5.980 -11.089 1.00 1.28 H new ATOM 0 HG22 ILE A 38 4.493 -7.259 -10.233 1.00 1.28 H new ATOM 0 HG23 ILE A 38 5.611 -6.204 -9.338 1.00 1.28 H new ATOM 0 HD11 ILE A 38 8.880 -5.505 -11.937 1.00 1.48 H new ATOM 0 HD12 ILE A 38 7.799 -6.638 -12.783 1.00 1.48 H new ATOM 0 HD13 ILE A 38 7.115 -5.312 -11.813 1.00 1.48 H new ATOM 608 N ARG A 39 8.871 -9.644 -9.275 1.00 0.84 N ATOM 609 CA ARG A 39 9.938 -10.653 -9.546 1.00 0.93 C ATOM 610 C ARG A 39 9.944 -11.799 -8.520 1.00 0.93 C ATOM 611 O ARG A 39 10.666 -12.763 -8.683 1.00 1.39 O ATOM 612 CB ARG A 39 11.265 -9.877 -9.512 1.00 1.03 C ATOM 613 CG ARG A 39 12.487 -10.807 -9.561 1.00 2.10 C ATOM 614 CD ARG A 39 12.922 -11.200 -8.133 1.00 2.86 C ATOM 615 NE ARG A 39 13.798 -10.130 -7.561 1.00 3.17 N ATOM 616 CZ ARG A 39 13.252 -9.166 -6.886 1.00 3.84 C ATOM 617 NH1 ARG A 39 12.823 -8.146 -7.535 1.00 4.46 N ATOM 618 NH2 ARG A 39 13.130 -9.272 -5.604 1.00 4.82 N ATOM 0 H ARG A 39 9.176 -8.829 -8.743 1.00 0.84 H new ATOM 0 HA ARG A 39 9.769 -11.135 -10.509 1.00 0.93 H new ATOM 0 HB2 ARG A 39 11.302 -9.188 -10.356 1.00 1.03 H new ATOM 0 HB3 ARG A 39 11.307 -9.273 -8.605 1.00 1.03 H new ATOM 0 HG2 ARG A 39 12.248 -11.703 -10.134 1.00 2.10 H new ATOM 0 HG3 ARG A 39 13.310 -10.310 -10.075 1.00 2.10 H new ATOM 0 HD2 ARG A 39 12.045 -11.342 -7.501 1.00 2.86 H new ATOM 0 HD3 ARG A 39 13.457 -12.149 -8.154 1.00 2.86 H new ATOM 0 HE ARG A 39 14.808 -10.158 -7.700 1.00 3.17 H new ATOM 0 HH11 ARG A 39 12.917 -8.111 -8.550 1.00 4.46 H new ATOM 0 HH12 ARG A 39 12.388 -7.370 -7.036 1.00 4.46 H new ATOM 0 HH21 ARG A 39 13.462 -10.111 -5.128 1.00 4.82 H new ATOM 0 HH22 ARG A 39 12.702 -8.517 -5.068 1.00 4.82 H new ATOM 632 N ALA A 40 9.135 -11.703 -7.505 1.00 0.82 N ATOM 633 CA ALA A 40 9.110 -12.781 -6.471 1.00 0.93 C ATOM 634 C ALA A 40 7.870 -13.656 -6.651 1.00 1.05 C ATOM 635 O ALA A 40 7.939 -14.864 -6.491 1.00 1.30 O ATOM 636 CB ALA A 40 9.087 -12.134 -5.084 1.00 1.03 C ATOM 0 H ALA A 40 8.491 -10.929 -7.343 1.00 0.82 H new ATOM 0 HA ALA A 40 9.996 -13.407 -6.576 1.00 0.93 H new ATOM 0 HB1 ALA A 40 9.069 -12.911 -4.320 1.00 1.03 H new ATOM 0 HB2 ALA A 40 9.978 -11.519 -4.955 1.00 1.03 H new ATOM 0 HB3 ALA A 40 8.198 -11.510 -4.988 1.00 1.03 H new ATOM 642 N GLU A 41 6.768 -13.024 -6.972 1.00 0.98 N ATOM 643 CA GLU A 41 5.506 -13.801 -7.169 1.00 1.26 C ATOM 644 C GLU A 41 5.462 -14.386 -8.584 1.00 1.43 C ATOM 645 O GLU A 41 4.944 -15.463 -8.790 1.00 1.79 O ATOM 646 CB GLU A 41 4.282 -12.893 -6.963 1.00 1.25 C ATOM 647 CG GLU A 41 4.344 -12.208 -5.584 1.00 1.49 C ATOM 648 CD GLU A 41 2.918 -11.933 -5.083 1.00 1.60 C ATOM 649 OE1 GLU A 41 2.192 -11.268 -5.812 1.00 2.21 O ATOM 650 OE2 GLU A 41 2.637 -12.408 -3.999 1.00 2.67 O ATOM 0 H GLU A 41 6.688 -12.016 -7.105 1.00 0.98 H new ATOM 0 HA GLU A 41 5.484 -14.610 -6.438 1.00 1.26 H new ATOM 0 HB2 GLU A 41 4.245 -12.139 -7.749 1.00 1.25 H new ATOM 0 HB3 GLU A 41 3.368 -13.481 -7.043 1.00 1.25 H new ATOM 0 HG2 GLU A 41 4.874 -12.843 -4.874 1.00 1.49 H new ATOM 0 HG3 GLU A 41 4.902 -11.274 -5.655 1.00 1.49 H new ATOM 657 N GLY A 42 5.989 -13.654 -9.529 1.00 1.33 N ATOM 658 CA GLY A 42 5.988 -14.147 -10.940 1.00 1.58 C ATOM 659 C GLY A 42 4.955 -13.365 -11.742 1.00 1.65 C ATOM 660 O GLY A 42 4.111 -13.939 -12.405 1.00 1.91 O ATOM 0 H GLY A 42 6.419 -12.740 -9.388 1.00 1.33 H new ATOM 0 HA2 GLY A 42 6.977 -14.025 -11.381 1.00 1.58 H new ATOM 0 HA3 GLY A 42 5.756 -15.212 -10.966 1.00 1.58 H new ATOM 664 N ILE A 43 5.076 -12.066 -11.694 1.00 1.47 N ATOM 665 CA ILE A 43 4.102 -11.205 -12.433 1.00 1.55 C ATOM 666 C ILE A 43 4.797 -10.646 -13.685 1.00 1.80 C ATOM 667 O ILE A 43 5.932 -10.196 -13.604 1.00 1.68 O ATOM 668 CB ILE A 43 3.646 -10.069 -11.499 1.00 1.30 C ATOM 669 CG1 ILE A 43 3.373 -10.660 -10.095 1.00 1.36 C ATOM 670 CG2 ILE A 43 2.361 -9.450 -12.065 1.00 1.60 C ATOM 671 CD1 ILE A 43 2.731 -9.620 -9.160 1.00 1.40 C ATOM 0 H ILE A 43 5.800 -11.565 -11.180 1.00 1.47 H new ATOM 0 HA ILE A 43 3.226 -11.775 -12.744 1.00 1.55 H new ATOM 0 HB ILE A 43 4.416 -9.301 -11.426 1.00 1.30 H new ATOM 0 HG12 ILE A 43 2.716 -11.525 -10.185 1.00 1.36 H new ATOM 0 HG13 ILE A 43 4.308 -11.014 -9.660 1.00 1.36 H new ATOM 0 HG21 ILE A 43 2.027 -8.643 -11.412 1.00 1.60 H new ATOM 0 HG22 ILE A 43 2.556 -9.053 -13.061 1.00 1.60 H new ATOM 0 HG23 ILE A 43 1.585 -10.213 -12.124 1.00 1.60 H new ATOM 0 HD11 ILE A 43 2.553 -10.070 -8.183 1.00 1.40 H new ATOM 0 HD12 ILE A 43 3.400 -8.767 -9.050 1.00 1.40 H new ATOM 0 HD13 ILE A 43 1.784 -9.286 -9.583 1.00 1.40 H new ATOM 683 N THR A 44 4.107 -10.632 -14.804 1.00 2.21 N ATOM 684 CA THR A 44 4.773 -10.132 -16.057 1.00 2.60 C ATOM 685 C THR A 44 4.115 -8.879 -16.654 1.00 2.88 C ATOM 686 O THR A 44 3.779 -8.858 -17.825 1.00 4.28 O ATOM 687 CB THR A 44 4.751 -11.267 -17.085 1.00 3.07 C ATOM 688 OG1 THR A 44 3.394 -11.687 -17.138 1.00 3.31 O ATOM 689 CG2 THR A 44 5.521 -12.486 -16.576 1.00 3.12 C ATOM 0 H THR A 44 3.139 -10.936 -14.906 1.00 2.21 H new ATOM 0 HA THR A 44 5.789 -9.836 -15.796 1.00 2.60 H new ATOM 0 HB THR A 44 5.177 -10.924 -18.028 1.00 3.07 H new ATOM 0 HG1 THR A 44 3.303 -12.418 -17.784 1.00 3.31 H new ATOM 0 HG21 THR A 44 5.489 -13.276 -17.326 1.00 3.12 H new ATOM 0 HG22 THR A 44 6.558 -12.208 -16.386 1.00 3.12 H new ATOM 0 HG23 THR A 44 5.066 -12.844 -15.652 1.00 3.12 H new ATOM 697 N LYS A 45 3.977 -7.860 -15.841 1.00 2.58 N ATOM 698 CA LYS A 45 3.370 -6.561 -16.296 1.00 2.61 C ATOM 699 C LYS A 45 1.904 -6.669 -16.745 1.00 2.73 C ATOM 700 O LYS A 45 1.052 -6.049 -16.146 1.00 3.00 O ATOM 701 CB LYS A 45 4.200 -5.988 -17.449 1.00 3.08 C ATOM 702 CG LYS A 45 5.607 -5.645 -16.948 1.00 3.90 C ATOM 703 CD LYS A 45 6.467 -5.199 -18.137 1.00 4.59 C ATOM 704 CE LYS A 45 7.768 -4.570 -17.629 1.00 5.63 C ATOM 705 NZ LYS A 45 8.469 -5.487 -16.679 1.00 7.52 N ATOM 0 H LYS A 45 4.264 -7.870 -14.862 1.00 2.58 H new ATOM 0 HA LYS A 45 3.380 -5.905 -15.426 1.00 2.61 H new ATOM 0 HB2 LYS A 45 4.259 -6.711 -18.263 1.00 3.08 H new ATOM 0 HB3 LYS A 45 3.718 -5.096 -17.849 1.00 3.08 H new ATOM 0 HG2 LYS A 45 5.558 -4.853 -16.201 1.00 3.90 H new ATOM 0 HG3 LYS A 45 6.056 -6.512 -16.463 1.00 3.90 H new ATOM 0 HD2 LYS A 45 6.691 -6.053 -18.776 1.00 4.59 H new ATOM 0 HD3 LYS A 45 5.918 -4.480 -18.745 1.00 4.59 H new ATOM 0 HE2 LYS A 45 8.421 -4.345 -18.472 1.00 5.63 H new ATOM 0 HE3 LYS A 45 7.550 -3.624 -17.133 1.00 5.63 H new ATOM 0 HZ1 LYS A 45 9.454 -5.176 -16.559 1.00 7.52 H new ATOM 0 HZ2 LYS A 45 7.986 -5.469 -15.758 1.00 7.52 H new ATOM 0 HZ3 LYS A 45 8.456 -6.456 -17.058 1.00 7.52 H new ATOM 719 N GLU A 46 1.639 -7.385 -17.804 1.00 2.68 N ATOM 720 CA GLU A 46 0.227 -7.519 -18.294 1.00 2.79 C ATOM 721 C GLU A 46 -0.781 -7.779 -17.161 1.00 2.57 C ATOM 722 O GLU A 46 -1.790 -7.085 -17.072 1.00 2.53 O ATOM 723 CB GLU A 46 0.164 -8.649 -19.336 1.00 3.09 C ATOM 724 CG GLU A 46 1.166 -8.361 -20.472 1.00 3.19 C ATOM 725 CD GLU A 46 1.094 -6.880 -20.881 1.00 3.39 C ATOM 726 OE1 GLU A 46 0.007 -6.474 -21.258 1.00 4.65 O ATOM 727 OE2 GLU A 46 2.121 -6.233 -20.742 1.00 3.41 O ATOM 0 H GLU A 46 2.337 -7.885 -18.355 1.00 2.68 H new ATOM 0 HA GLU A 46 -0.059 -6.568 -18.744 1.00 2.79 H new ATOM 0 HB2 GLU A 46 0.397 -9.604 -18.866 1.00 3.09 H new ATOM 0 HB3 GLU A 46 -0.845 -8.730 -19.739 1.00 3.09 H new ATOM 0 HG2 GLU A 46 2.177 -8.607 -20.146 1.00 3.19 H new ATOM 0 HG3 GLU A 46 0.945 -8.994 -21.331 1.00 3.19 H new ATOM 734 N ASP A 47 -0.513 -8.771 -16.333 1.00 2.50 N ATOM 735 CA ASP A 47 -1.467 -9.053 -15.214 1.00 2.37 C ATOM 736 C ASP A 47 -1.732 -7.777 -14.420 1.00 2.04 C ATOM 737 O ASP A 47 -2.839 -7.551 -13.985 1.00 2.15 O ATOM 738 CB ASP A 47 -0.930 -10.117 -14.250 1.00 2.45 C ATOM 739 CG ASP A 47 -1.999 -10.334 -13.165 1.00 3.17 C ATOM 740 OD1 ASP A 47 -3.015 -10.956 -13.482 1.00 4.04 O ATOM 741 OD2 ASP A 47 -1.798 -9.759 -12.112 1.00 3.58 O ATOM 0 H ASP A 47 0.304 -9.380 -16.384 1.00 2.50 H new ATOM 0 HA ASP A 47 -2.385 -9.426 -15.667 1.00 2.37 H new ATOM 0 HB2 ASP A 47 -0.726 -11.047 -14.780 1.00 2.45 H new ATOM 0 HB3 ASP A 47 0.010 -9.792 -13.804 1.00 2.45 H new ATOM 746 N LEU A 48 -0.716 -6.978 -14.235 1.00 1.73 N ATOM 747 CA LEU A 48 -0.913 -5.710 -13.473 1.00 1.51 C ATOM 748 C LEU A 48 -1.713 -4.744 -14.339 1.00 1.57 C ATOM 749 O LEU A 48 -2.703 -4.199 -13.887 1.00 1.60 O ATOM 750 CB LEU A 48 0.450 -5.106 -13.114 1.00 1.54 C ATOM 751 CG LEU A 48 1.119 -5.974 -12.040 1.00 1.53 C ATOM 752 CD1 LEU A 48 2.596 -5.588 -11.913 1.00 1.70 C ATOM 753 CD2 LEU A 48 0.435 -5.739 -10.689 1.00 1.49 C ATOM 0 H LEU A 48 0.232 -7.145 -14.574 1.00 1.73 H new ATOM 0 HA LEU A 48 -1.456 -5.905 -12.548 1.00 1.51 H new ATOM 0 HB2 LEU A 48 1.082 -5.052 -14.000 1.00 1.54 H new ATOM 0 HB3 LEU A 48 0.325 -4.087 -12.749 1.00 1.54 H new ATOM 0 HG LEU A 48 1.031 -7.022 -12.326 1.00 1.53 H new ATOM 0 HD11 LEU A 48 3.069 -6.206 -11.150 1.00 1.70 H new ATOM 0 HD12 LEU A 48 3.097 -5.745 -12.868 1.00 1.70 H new ATOM 0 HD13 LEU A 48 2.675 -4.538 -11.630 1.00 1.70 H new ATOM 0 HD21 LEU A 48 0.912 -6.356 -9.928 1.00 1.49 H new ATOM 0 HD22 LEU A 48 0.526 -4.688 -10.413 1.00 1.49 H new ATOM 0 HD23 LEU A 48 -0.619 -6.005 -10.764 1.00 1.49 H new ATOM 765 N GLN A 49 -1.260 -4.536 -15.558 1.00 1.73 N ATOM 766 CA GLN A 49 -1.998 -3.635 -16.497 1.00 1.94 C ATOM 767 C GLN A 49 -3.494 -3.893 -16.328 1.00 1.78 C ATOM 768 O GLN A 49 -4.289 -2.969 -16.242 1.00 1.83 O ATOM 769 CB GLN A 49 -1.530 -3.964 -17.925 1.00 2.42 C ATOM 770 CG GLN A 49 -2.406 -3.276 -18.979 1.00 3.08 C ATOM 771 CD GLN A 49 -3.678 -4.082 -19.306 1.00 4.37 C ATOM 772 OE1 GLN A 49 -3.758 -5.351 -19.007 1.00 5.15 O flip ATOM 773 NE2 GLN A 49 -4.617 -3.563 -19.869 1.00 5.49 N flip ATOM 0 H GLN A 49 -0.411 -4.953 -15.939 1.00 1.73 H new ATOM 0 HA GLN A 49 -1.804 -2.582 -16.294 1.00 1.94 H new ATOM 0 HB2 GLN A 49 -0.494 -3.649 -18.050 1.00 2.42 H new ATOM 0 HB3 GLN A 49 -1.556 -5.043 -18.077 1.00 2.42 H new ATOM 0 HG2 GLN A 49 -2.689 -2.286 -18.622 1.00 3.08 H new ATOM 0 HG3 GLN A 49 -1.826 -3.132 -19.891 1.00 3.08 H new ATOM 0 HE21 GLN A 49 -4.581 -2.574 -20.114 1.00 5.49 H new ATOM 0 HE22 GLN A 49 -5.443 -4.116 -20.098 1.00 5.49 H new ATOM 782 N GLN A 50 -3.789 -5.171 -16.286 1.00 1.80 N ATOM 783 CA GLN A 50 -5.176 -5.667 -16.104 1.00 1.85 C ATOM 784 C GLN A 50 -5.676 -5.352 -14.691 1.00 1.61 C ATOM 785 O GLN A 50 -6.677 -4.697 -14.523 1.00 1.69 O ATOM 786 CB GLN A 50 -5.115 -7.187 -16.334 1.00 2.10 C ATOM 787 CG GLN A 50 -6.310 -7.930 -15.709 1.00 3.58 C ATOM 788 CD GLN A 50 -5.786 -9.101 -14.866 1.00 4.69 C ATOM 789 OE1 GLN A 50 -6.176 -9.296 -13.733 1.00 5.79 O ATOM 790 NE2 GLN A 50 -4.877 -9.881 -15.370 1.00 5.17 N ATOM 0 H GLN A 50 -3.093 -5.911 -16.375 1.00 1.80 H new ATOM 0 HA GLN A 50 -5.867 -5.189 -16.798 1.00 1.85 H new ATOM 0 HB2 GLN A 50 -5.087 -7.388 -17.405 1.00 2.10 H new ATOM 0 HB3 GLN A 50 -4.189 -7.577 -15.913 1.00 2.10 H new ATOM 0 HG2 GLN A 50 -6.893 -7.250 -15.088 1.00 3.58 H new ATOM 0 HG3 GLN A 50 -6.975 -8.297 -16.490 1.00 3.58 H new ATOM 0 HE21 GLN A 50 -4.542 -9.726 -16.321 1.00 5.17 H new ATOM 0 HE22 GLN A 50 -4.498 -10.648 -14.815 1.00 5.17 H new ATOM 799 N LYS A 51 -4.960 -5.841 -13.716 1.00 1.50 N ATOM 800 CA LYS A 51 -5.328 -5.635 -12.288 1.00 1.40 C ATOM 801 C LYS A 51 -5.763 -4.190 -12.000 1.00 1.19 C ATOM 802 O LYS A 51 -6.630 -3.965 -11.174 1.00 1.29 O ATOM 803 CB LYS A 51 -4.092 -5.995 -11.457 1.00 1.49 C ATOM 804 CG LYS A 51 -4.509 -6.504 -10.077 1.00 2.56 C ATOM 805 CD LYS A 51 -5.174 -7.898 -10.147 1.00 2.46 C ATOM 806 CE LYS A 51 -4.201 -8.928 -10.745 1.00 2.74 C ATOM 807 NZ LYS A 51 -4.278 -8.937 -12.228 1.00 3.67 N ATOM 0 H LYS A 51 -4.112 -6.390 -13.855 1.00 1.50 H new ATOM 0 HA LYS A 51 -6.182 -6.263 -12.034 1.00 1.40 H new ATOM 0 HB2 LYS A 51 -3.509 -6.758 -11.972 1.00 1.49 H new ATOM 0 HB3 LYS A 51 -3.450 -5.121 -11.351 1.00 1.49 H new ATOM 0 HG2 LYS A 51 -3.634 -6.553 -9.429 1.00 2.56 H new ATOM 0 HG3 LYS A 51 -5.202 -5.795 -9.624 1.00 2.56 H new ATOM 0 HD2 LYS A 51 -5.478 -8.213 -9.149 1.00 2.46 H new ATOM 0 HD3 LYS A 51 -6.078 -7.847 -10.755 1.00 2.46 H new ATOM 0 HE2 LYS A 51 -3.183 -8.696 -10.432 1.00 2.74 H new ATOM 0 HE3 LYS A 51 -4.435 -9.920 -10.359 1.00 2.74 H new ATOM 0 HZ1 LYS A 51 -4.154 -9.909 -12.576 1.00 3.67 H new ATOM 0 HZ2 LYS A 51 -5.206 -8.577 -12.530 1.00 3.67 H new ATOM 0 HZ3 LYS A 51 -3.528 -8.331 -12.618 1.00 3.67 H new ATOM 821 N ALA A 52 -5.101 -3.257 -12.643 1.00 1.18 N ATOM 822 CA ALA A 52 -5.447 -1.811 -12.444 1.00 1.25 C ATOM 823 C ALA A 52 -6.223 -1.254 -13.642 1.00 1.52 C ATOM 824 O ALA A 52 -6.725 -0.150 -13.568 1.00 1.96 O ATOM 825 CB ALA A 52 -4.157 -0.994 -12.284 1.00 1.26 C ATOM 0 H ALA A 52 -4.337 -3.433 -13.296 1.00 1.18 H new ATOM 0 HA ALA A 52 -6.068 -1.736 -11.552 1.00 1.25 H new ATOM 0 HB1 ALA A 52 -4.407 0.057 -12.139 1.00 1.26 H new ATOM 0 HB2 ALA A 52 -3.601 -1.357 -11.419 1.00 1.26 H new ATOM 0 HB3 ALA A 52 -3.545 -1.101 -13.180 1.00 1.26 H new ATOM 831 N GLY A 53 -6.318 -2.011 -14.704 1.00 1.82 N ATOM 832 CA GLY A 53 -7.055 -1.501 -15.909 1.00 2.21 C ATOM 833 C GLY A 53 -6.482 -0.137 -16.307 1.00 2.33 C ATOM 834 O GLY A 53 -7.202 0.821 -16.535 1.00 2.40 O ATOM 0 H GLY A 53 -5.925 -2.948 -14.794 1.00 1.82 H new ATOM 0 HA2 GLY A 53 -6.958 -2.205 -16.735 1.00 2.21 H new ATOM 0 HA3 GLY A 53 -8.119 -1.412 -15.689 1.00 2.21 H new ATOM 838 N LYS A 54 -5.180 -0.106 -16.403 1.00 2.79 N ATOM 839 CA LYS A 54 -4.474 1.166 -16.765 1.00 3.04 C ATOM 840 C LYS A 54 -3.613 0.971 -18.014 1.00 3.46 C ATOM 841 O LYS A 54 -3.108 -0.105 -18.252 1.00 4.28 O ATOM 842 CB LYS A 54 -3.551 1.575 -15.605 1.00 3.58 C ATOM 843 CG LYS A 54 -4.358 2.156 -14.438 1.00 3.57 C ATOM 844 CD LYS A 54 -4.999 3.488 -14.855 1.00 4.23 C ATOM 845 CE LYS A 54 -5.306 4.308 -13.598 1.00 4.58 C ATOM 846 NZ LYS A 54 -4.027 4.717 -12.944 1.00 4.99 N ATOM 0 H LYS A 54 -4.569 -0.908 -16.246 1.00 2.79 H new ATOM 0 HA LYS A 54 -5.223 1.934 -16.959 1.00 3.04 H new ATOM 0 HB2 LYS A 54 -2.984 0.709 -15.264 1.00 3.58 H new ATOM 0 HB3 LYS A 54 -2.828 2.312 -15.954 1.00 3.58 H new ATOM 0 HG2 LYS A 54 -5.131 1.451 -14.133 1.00 3.57 H new ATOM 0 HG3 LYS A 54 -3.708 2.309 -13.576 1.00 3.57 H new ATOM 0 HD2 LYS A 54 -4.326 4.041 -15.510 1.00 4.23 H new ATOM 0 HD3 LYS A 54 -5.914 3.306 -15.418 1.00 4.23 H new ATOM 0 HE2 LYS A 54 -5.891 5.190 -13.860 1.00 4.58 H new ATOM 0 HE3 LYS A 54 -5.909 3.720 -12.906 1.00 4.58 H new ATOM 0 HZ1 LYS A 54 -4.158 5.631 -12.466 1.00 4.99 H new ATOM 0 HZ2 LYS A 54 -3.749 3.998 -12.246 1.00 4.99 H new ATOM 0 HZ3 LYS A 54 -3.282 4.807 -13.664 1.00 4.99 H new ATOM 860 N PRO A 55 -3.370 2.044 -18.733 1.00 3.39 N ATOM 861 CA PRO A 55 -2.138 2.161 -19.549 1.00 3.58 C ATOM 862 C PRO A 55 -0.929 2.520 -18.666 1.00 2.94 C ATOM 863 O PRO A 55 -0.022 3.190 -19.112 1.00 3.58 O ATOM 864 CB PRO A 55 -2.455 3.285 -20.553 1.00 4.45 C ATOM 865 CG PRO A 55 -3.959 3.610 -20.392 1.00 4.76 C ATOM 866 CD PRO A 55 -4.350 3.123 -18.989 1.00 3.88 C ATOM 0 HA PRO A 55 -1.873 1.228 -20.047 1.00 3.58 H new ATOM 0 HB2 PRO A 55 -1.845 4.166 -20.354 1.00 4.45 H new ATOM 0 HB3 PRO A 55 -2.234 2.968 -21.572 1.00 4.45 H new ATOM 0 HG2 PRO A 55 -4.141 4.680 -20.498 1.00 4.76 H new ATOM 0 HG3 PRO A 55 -4.551 3.109 -21.158 1.00 4.76 H new ATOM 0 HD2 PRO A 55 -4.277 3.920 -18.249 1.00 3.88 H new ATOM 0 HD3 PRO A 55 -5.375 2.754 -18.960 1.00 3.88 H new ATOM 874 N VAL A 56 -0.928 1.970 -17.479 1.00 2.80 N ATOM 875 CA VAL A 56 0.168 2.219 -16.481 1.00 3.04 C ATOM 876 C VAL A 56 0.349 3.719 -16.154 1.00 2.51 C ATOM 877 O VAL A 56 0.029 4.592 -16.939 1.00 3.61 O ATOM 878 CB VAL A 56 1.480 1.640 -17.032 1.00 4.71 C ATOM 879 CG1 VAL A 56 2.594 1.720 -15.974 1.00 5.99 C ATOM 880 CG2 VAL A 56 1.272 0.171 -17.443 1.00 6.07 C ATOM 0 H VAL A 56 -1.659 1.341 -17.147 1.00 2.80 H new ATOM 0 HA VAL A 56 -0.110 1.727 -15.549 1.00 3.04 H new ATOM 0 HB VAL A 56 1.776 2.226 -17.902 1.00 4.71 H new ATOM 0 HG11 VAL A 56 3.515 1.305 -16.383 1.00 5.99 H new ATOM 0 HG12 VAL A 56 2.757 2.761 -15.696 1.00 5.99 H new ATOM 0 HG13 VAL A 56 2.300 1.151 -15.092 1.00 5.99 H new ATOM 0 HG21 VAL A 56 2.206 -0.233 -17.833 1.00 6.07 H new ATOM 0 HG22 VAL A 56 0.960 -0.409 -16.575 1.00 6.07 H new ATOM 0 HG23 VAL A 56 0.503 0.114 -18.213 1.00 6.07 H new ATOM 890 N GLU A 57 0.821 3.967 -14.959 1.00 2.52 N ATOM 891 CA GLU A 57 1.080 5.364 -14.503 1.00 3.48 C ATOM 892 C GLU A 57 2.490 5.401 -13.905 1.00 3.43 C ATOM 893 O GLU A 57 3.462 5.323 -14.621 1.00 3.87 O ATOM 894 CB GLU A 57 0.032 5.774 -13.448 1.00 4.85 C ATOM 895 CG GLU A 57 -0.147 4.653 -12.400 1.00 5.22 C ATOM 896 CD GLU A 57 -1.385 3.822 -12.733 1.00 5.38 C ATOM 897 OE1 GLU A 57 -1.577 3.533 -13.901 1.00 5.30 O ATOM 898 OE2 GLU A 57 -2.128 3.561 -11.808 1.00 6.26 O ATOM 0 H GLU A 57 1.041 3.248 -14.270 1.00 2.52 H new ATOM 0 HA GLU A 57 1.007 6.064 -15.335 1.00 3.48 H new ATOM 0 HB2 GLU A 57 0.344 6.695 -12.955 1.00 4.85 H new ATOM 0 HB3 GLU A 57 -0.921 5.981 -13.935 1.00 4.85 H new ATOM 0 HG2 GLU A 57 0.736 4.015 -12.383 1.00 5.22 H new ATOM 0 HG3 GLU A 57 -0.246 5.086 -11.405 1.00 5.22 H new ATOM 905 N THR A 58 2.563 5.477 -12.609 1.00 3.57 N ATOM 906 CA THR A 58 3.879 5.495 -11.928 1.00 4.07 C ATOM 907 C THR A 58 3.934 4.272 -11.011 1.00 3.31 C ATOM 908 O THR A 58 2.954 3.562 -10.887 1.00 3.09 O ATOM 909 CB THR A 58 3.983 6.806 -11.131 1.00 5.54 C ATOM 910 OG1 THR A 58 3.946 7.834 -12.117 1.00 6.36 O ATOM 911 CG2 THR A 58 5.344 6.978 -10.444 1.00 6.27 C ATOM 0 H THR A 58 1.756 5.528 -11.987 1.00 3.57 H new ATOM 0 HA THR A 58 4.713 5.452 -12.628 1.00 4.07 H new ATOM 0 HB THR A 58 3.197 6.825 -10.376 1.00 5.54 H new ATOM 0 HG1 THR A 58 4.007 8.709 -11.680 1.00 6.36 H new ATOM 0 HG21 THR A 58 5.359 7.921 -9.897 1.00 6.27 H new ATOM 0 HG22 THR A 58 5.508 6.153 -9.751 1.00 6.27 H new ATOM 0 HG23 THR A 58 6.133 6.982 -11.196 1.00 6.27 H new ATOM 919 N VAL A 59 5.053 4.062 -10.389 1.00 3.14 N ATOM 920 CA VAL A 59 5.201 2.898 -9.466 1.00 2.48 C ATOM 921 C VAL A 59 5.352 3.400 -8.022 1.00 2.46 C ATOM 922 O VAL A 59 5.674 4.552 -7.803 1.00 3.12 O ATOM 923 CB VAL A 59 6.463 2.112 -9.860 1.00 2.62 C ATOM 924 CG1 VAL A 59 6.154 1.257 -11.097 1.00 2.80 C ATOM 925 CG2 VAL A 59 7.582 3.122 -10.181 1.00 4.13 C ATOM 0 H VAL A 59 5.882 4.649 -10.477 1.00 3.14 H new ATOM 0 HA VAL A 59 4.321 2.259 -9.536 1.00 2.48 H new ATOM 0 HB VAL A 59 6.780 1.459 -9.047 1.00 2.62 H new ATOM 0 HG11 VAL A 59 7.044 0.696 -11.383 1.00 2.80 H new ATOM 0 HG12 VAL A 59 5.346 0.563 -10.867 1.00 2.80 H new ATOM 0 HG13 VAL A 59 5.853 1.904 -11.921 1.00 2.80 H new ATOM 0 HG21 VAL A 59 8.487 2.585 -10.463 1.00 4.13 H new ATOM 0 HG22 VAL A 59 7.268 3.763 -11.005 1.00 4.13 H new ATOM 0 HG23 VAL A 59 7.783 3.734 -9.302 1.00 4.13 H new ATOM 935 N PRO A 60 5.178 2.509 -7.072 1.00 1.95 N ATOM 936 CA PRO A 60 4.625 1.155 -7.295 1.00 1.35 C ATOM 937 C PRO A 60 3.112 1.225 -7.509 1.00 1.05 C ATOM 938 O PRO A 60 2.541 2.297 -7.617 1.00 1.23 O ATOM 939 CB PRO A 60 4.980 0.398 -6.010 1.00 1.48 C ATOM 940 CG PRO A 60 5.152 1.480 -4.925 1.00 2.12 C ATOM 941 CD PRO A 60 5.565 2.766 -5.662 1.00 2.30 C ATOM 0 HA PRO A 60 5.026 0.666 -8.183 1.00 1.35 H new ATOM 0 HB2 PRO A 60 4.193 -0.306 -5.740 1.00 1.48 H new ATOM 0 HB3 PRO A 60 5.896 -0.180 -6.136 1.00 1.48 H new ATOM 0 HG2 PRO A 60 4.224 1.629 -4.373 1.00 2.12 H new ATOM 0 HG3 PRO A 60 5.911 1.186 -4.200 1.00 2.12 H new ATOM 0 HD2 PRO A 60 5.052 3.639 -5.260 1.00 2.30 H new ATOM 0 HD3 PRO A 60 6.635 2.954 -5.569 1.00 2.30 H new ATOM 949 N GLN A 61 2.509 0.079 -7.562 1.00 0.71 N ATOM 950 CA GLN A 61 1.045 0.026 -7.765 1.00 0.54 C ATOM 951 C GLN A 61 0.429 -0.279 -6.411 1.00 0.48 C ATOM 952 O GLN A 61 0.869 -1.195 -5.731 1.00 0.55 O ATOM 953 CB GLN A 61 0.741 -1.080 -8.773 1.00 0.76 C ATOM 954 CG GLN A 61 1.752 -0.983 -9.927 1.00 1.49 C ATOM 955 CD GLN A 61 1.143 -1.581 -11.180 1.00 2.39 C ATOM 956 OE1 GLN A 61 1.706 -2.438 -11.823 1.00 3.55 O ATOM 957 NE2 GLN A 61 -0.013 -1.152 -11.566 1.00 2.84 N ATOM 0 H GLN A 61 2.969 -0.827 -7.473 1.00 0.71 H new ATOM 0 HA GLN A 61 0.640 0.961 -8.153 1.00 0.54 H new ATOM 0 HB2 GLN A 61 0.806 -2.057 -8.294 1.00 0.76 H new ATOM 0 HB3 GLN A 61 -0.276 -0.978 -9.151 1.00 0.76 H new ATOM 0 HG2 GLN A 61 2.022 0.058 -10.102 1.00 1.49 H new ATOM 0 HG3 GLN A 61 2.669 -1.511 -9.667 1.00 1.49 H new ATOM 0 HE21 GLN A 61 -0.494 -0.430 -11.030 1.00 2.84 H new ATOM 0 HE22 GLN A 61 -0.444 -1.535 -12.407 1.00 2.84 H new ATOM 966 N ILE A 62 -0.572 0.475 -6.051 1.00 0.52 N ATOM 967 CA ILE A 62 -1.202 0.262 -4.729 1.00 0.61 C ATOM 968 C ILE A 62 -2.589 -0.359 -4.882 1.00 0.50 C ATOM 969 O ILE A 62 -3.452 0.183 -5.573 1.00 0.56 O ATOM 970 CB ILE A 62 -1.333 1.621 -4.023 1.00 0.90 C ATOM 971 CG1 ILE A 62 -0.076 2.492 -4.239 1.00 1.48 C ATOM 972 CG2 ILE A 62 -1.545 1.369 -2.530 1.00 0.90 C ATOM 973 CD1 ILE A 62 1.157 1.872 -3.568 1.00 0.97 C ATOM 0 H ILE A 62 -0.975 1.224 -6.614 1.00 0.52 H new ATOM 0 HA ILE A 62 -0.581 -0.418 -4.145 1.00 0.61 H new ATOM 0 HB ILE A 62 -2.181 2.162 -4.444 1.00 0.90 H new ATOM 0 HG12 ILE A 62 0.109 2.608 -5.307 1.00 1.48 H new ATOM 0 HG13 ILE A 62 -0.249 3.490 -3.835 1.00 1.48 H new ATOM 0 HG21 ILE A 62 -1.640 2.322 -2.010 1.00 0.90 H new ATOM 0 HG22 ILE A 62 -2.453 0.784 -2.385 1.00 0.90 H new ATOM 0 HG23 ILE A 62 -0.693 0.821 -2.129 1.00 0.90 H new ATOM 0 HD11 ILE A 62 2.024 2.510 -3.739 1.00 0.97 H new ATOM 0 HD12 ILE A 62 0.980 1.780 -2.496 1.00 0.97 H new ATOM 0 HD13 ILE A 62 1.344 0.885 -3.991 1.00 0.97 H new ATOM 985 N PHE A 63 -2.773 -1.460 -4.200 1.00 0.48 N ATOM 986 CA PHE A 63 -4.069 -2.183 -4.233 1.00 0.55 C ATOM 987 C PHE A 63 -4.552 -2.323 -2.789 1.00 0.58 C ATOM 988 O PHE A 63 -3.817 -2.823 -1.947 1.00 0.60 O ATOM 989 CB PHE A 63 -3.836 -3.569 -4.847 1.00 0.72 C ATOM 990 CG PHE A 63 -3.747 -3.425 -6.365 1.00 0.73 C ATOM 991 CD1 PHE A 63 -4.901 -3.467 -7.128 1.00 0.82 C ATOM 992 CD2 PHE A 63 -2.534 -3.182 -6.987 1.00 0.85 C ATOM 993 CE1 PHE A 63 -4.843 -3.268 -8.489 1.00 0.97 C ATOM 994 CE2 PHE A 63 -2.481 -2.979 -8.349 1.00 0.99 C ATOM 995 CZ PHE A 63 -3.637 -3.020 -9.097 1.00 1.03 C ATOM 0 H PHE A 63 -2.062 -1.893 -3.611 1.00 0.48 H new ATOM 0 HA PHE A 63 -4.812 -1.650 -4.826 1.00 0.55 H new ATOM 0 HB2 PHE A 63 -2.918 -4.006 -4.455 1.00 0.72 H new ATOM 0 HB3 PHE A 63 -4.650 -4.243 -4.579 1.00 0.72 H new ATOM 0 HD1 PHE A 63 -5.852 -3.657 -6.653 1.00 0.82 H new ATOM 0 HD2 PHE A 63 -1.626 -3.151 -6.403 1.00 0.85 H new ATOM 0 HE1 PHE A 63 -5.747 -3.307 -9.079 1.00 0.97 H new ATOM 0 HE2 PHE A 63 -1.533 -2.788 -8.830 1.00 0.99 H new ATOM 0 HZ PHE A 63 -3.595 -2.857 -10.164 1.00 1.03 H new ATOM 1005 N VAL A 64 -5.738 -1.855 -2.505 1.00 0.61 N ATOM 1006 CA VAL A 64 -6.248 -1.974 -1.111 1.00 0.70 C ATOM 1007 C VAL A 64 -7.485 -2.866 -1.113 1.00 0.80 C ATOM 1008 O VAL A 64 -8.425 -2.600 -1.846 1.00 1.00 O ATOM 1009 CB VAL A 64 -6.569 -0.558 -0.631 1.00 0.72 C ATOM 1010 CG1 VAL A 64 -7.387 -0.590 0.657 1.00 0.76 C ATOM 1011 CG2 VAL A 64 -5.247 0.166 -0.345 1.00 0.88 C ATOM 0 H VAL A 64 -6.367 -1.402 -3.168 1.00 0.61 H new ATOM 0 HA VAL A 64 -5.518 -2.427 -0.440 1.00 0.70 H new ATOM 0 HB VAL A 64 -7.145 -0.047 -1.402 1.00 0.72 H new ATOM 0 HG11 VAL A 64 -7.602 0.430 0.977 1.00 0.76 H new ATOM 0 HG12 VAL A 64 -8.323 -1.120 0.480 1.00 0.76 H new ATOM 0 HG13 VAL A 64 -6.821 -1.103 1.435 1.00 0.76 H new ATOM 0 HG21 VAL A 64 -5.454 1.179 -0.001 1.00 0.88 H new ATOM 0 HG22 VAL A 64 -4.696 -0.373 0.426 1.00 0.88 H new ATOM 0 HG23 VAL A 64 -4.650 0.207 -1.256 1.00 0.88 H new ATOM 1021 N ASP A 65 -7.441 -3.936 -0.333 1.00 1.04 N ATOM 1022 CA ASP A 65 -8.620 -4.862 -0.278 1.00 1.23 C ATOM 1023 C ASP A 65 -9.026 -5.229 -1.707 1.00 1.31 C ATOM 1024 O ASP A 65 -10.181 -5.342 -2.080 1.00 2.53 O ATOM 1025 CB ASP A 65 -9.743 -4.146 0.426 1.00 1.31 C ATOM 1026 CG ASP A 65 -9.568 -4.209 1.964 1.00 1.48 C ATOM 1027 OD1 ASP A 65 -8.426 -4.311 2.407 1.00 2.36 O ATOM 1028 OD2 ASP A 65 -10.589 -4.131 2.622 1.00 2.32 O ATOM 0 H ASP A 65 -6.651 -4.199 0.256 1.00 1.04 H new ATOM 0 HA ASP A 65 -8.379 -5.777 0.262 1.00 1.23 H new ATOM 0 HB2 ASP A 65 -9.774 -3.105 0.103 1.00 1.31 H new ATOM 0 HB3 ASP A 65 -10.696 -4.595 0.147 1.00 1.31 H new ATOM 1033 N GLN A 66 -7.995 -5.257 -2.461 1.00 1.92 N ATOM 1034 CA GLN A 66 -8.003 -5.564 -3.919 1.00 2.29 C ATOM 1035 C GLN A 66 -8.366 -4.310 -4.708 1.00 1.71 C ATOM 1036 O GLN A 66 -7.865 -4.099 -5.795 1.00 2.45 O ATOM 1037 CB GLN A 66 -8.996 -6.664 -4.280 1.00 3.05 C ATOM 1038 CG GLN A 66 -8.564 -7.211 -5.647 1.00 5.05 C ATOM 1039 CD GLN A 66 -9.773 -7.759 -6.397 1.00 5.59 C ATOM 1040 OE1 GLN A 66 -10.554 -8.511 -5.864 1.00 5.31 O ATOM 1041 NE2 GLN A 66 -9.963 -7.424 -7.642 1.00 6.99 N ATOM 0 H GLN A 66 -7.059 -5.064 -2.105 1.00 1.92 H new ATOM 0 HA GLN A 66 -7.002 -5.912 -4.173 1.00 2.29 H new ATOM 0 HB2 GLN A 66 -8.991 -7.453 -3.528 1.00 3.05 H new ATOM 0 HB3 GLN A 66 -10.012 -6.271 -4.323 1.00 3.05 H new ATOM 0 HG2 GLN A 66 -8.091 -6.421 -6.231 1.00 5.05 H new ATOM 0 HG3 GLN A 66 -7.821 -7.998 -5.515 1.00 5.05 H new ATOM 0 HE21 GLN A 66 -9.312 -6.790 -8.105 1.00 6.99 H new ATOM 0 HE22 GLN A 66 -10.763 -7.796 -8.154 1.00 6.99 H new ATOM 1050 N GLN A 67 -9.223 -3.511 -4.133 1.00 0.90 N ATOM 1051 CA GLN A 67 -9.662 -2.269 -4.795 1.00 0.92 C ATOM 1052 C GLN A 67 -8.442 -1.542 -5.323 1.00 0.77 C ATOM 1053 O GLN A 67 -7.584 -1.148 -4.547 1.00 0.88 O ATOM 1054 CB GLN A 67 -10.366 -1.358 -3.783 1.00 1.57 C ATOM 1055 CG GLN A 67 -11.297 -2.154 -2.861 1.00 2.88 C ATOM 1056 CD GLN A 67 -12.288 -2.961 -3.692 1.00 3.63 C ATOM 1057 OE1 GLN A 67 -13.049 -2.417 -4.461 1.00 3.78 O ATOM 1058 NE2 GLN A 67 -12.300 -4.254 -3.591 1.00 4.91 N ATOM 0 H GLN A 67 -9.639 -3.677 -3.217 1.00 0.90 H new ATOM 0 HA GLN A 67 -10.348 -2.516 -5.605 1.00 0.92 H new ATOM 0 HB2 GLN A 67 -9.621 -0.834 -3.184 1.00 1.57 H new ATOM 0 HB3 GLN A 67 -10.940 -0.599 -4.314 1.00 1.57 H new ATOM 0 HG2 GLN A 67 -10.712 -2.821 -2.228 1.00 2.88 H new ATOM 0 HG3 GLN A 67 -11.834 -1.475 -2.198 1.00 2.88 H new ATOM 0 HE21 GLN A 67 -11.663 -4.721 -2.946 1.00 4.91 H new ATOM 0 HE22 GLN A 67 -12.947 -4.804 -4.157 1.00 4.91 H new ATOM 1067 N HIS A 68 -8.331 -1.468 -6.610 1.00 0.83 N ATOM 1068 CA HIS A 68 -7.170 -0.736 -7.162 1.00 0.79 C ATOM 1069 C HIS A 68 -7.234 0.680 -6.604 1.00 0.73 C ATOM 1070 O HIS A 68 -8.286 1.300 -6.627 1.00 0.83 O ATOM 1071 CB HIS A 68 -7.251 -0.682 -8.685 1.00 1.06 C ATOM 1072 CG HIS A 68 -6.272 0.324 -9.280 1.00 1.26 C ATOM 1073 ND1 HIS A 68 -6.668 1.506 -9.660 1.00 1.67 N ATOM 1074 CD2 HIS A 68 -4.925 0.264 -9.506 1.00 1.47 C ATOM 1075 CE1 HIS A 68 -5.629 2.165 -10.119 1.00 1.81 C ATOM 1076 NE2 HIS A 68 -4.568 1.402 -10.023 1.00 1.68 N ATOM 0 H HIS A 68 -8.975 -1.871 -7.291 1.00 0.83 H new ATOM 0 HA HIS A 68 -6.239 -1.233 -6.889 1.00 0.79 H new ATOM 0 HB2 HIS A 68 -7.045 -1.671 -9.093 1.00 1.06 H new ATOM 0 HB3 HIS A 68 -8.266 -0.419 -8.984 1.00 1.06 H new ATOM 0 HD2 HIS A 68 -4.277 -0.574 -9.294 1.00 1.47 H new ATOM 0 HE1 HIS A 68 -5.646 3.171 -10.511 1.00 1.81 H new ATOM 0 HE2 HIS A 68 -3.622 1.658 -10.306 1.00 1.68 H new ATOM 1084 N ILE A 69 -6.144 1.157 -6.097 1.00 0.68 N ATOM 1085 CA ILE A 69 -6.163 2.536 -5.549 1.00 0.76 C ATOM 1086 C ILE A 69 -5.433 3.424 -6.542 1.00 0.92 C ATOM 1087 O ILE A 69 -5.897 4.485 -6.898 1.00 1.13 O ATOM 1088 CB ILE A 69 -5.490 2.518 -4.168 1.00 0.70 C ATOM 1089 CG1 ILE A 69 -6.217 1.512 -3.253 1.00 0.79 C ATOM 1090 CG2 ILE A 69 -5.560 3.902 -3.527 1.00 0.73 C ATOM 1091 CD1 ILE A 69 -7.707 1.876 -3.100 1.00 0.90 C ATOM 0 H ILE A 69 -5.252 0.665 -6.036 1.00 0.68 H new ATOM 0 HA ILE A 69 -7.173 2.923 -5.414 1.00 0.76 H new ATOM 0 HB ILE A 69 -4.447 2.228 -4.293 1.00 0.70 H new ATOM 0 HG12 ILE A 69 -6.126 0.508 -3.667 1.00 0.79 H new ATOM 0 HG13 ILE A 69 -5.741 1.497 -2.273 1.00 0.79 H new ATOM 0 HG21 ILE A 69 -5.079 3.875 -2.549 1.00 0.73 H new ATOM 0 HG22 ILE A 69 -5.048 4.624 -4.163 1.00 0.73 H new ATOM 0 HG23 ILE A 69 -6.603 4.197 -3.411 1.00 0.73 H new ATOM 0 HD11 ILE A 69 -8.194 1.149 -2.450 1.00 0.90 H new ATOM 0 HD12 ILE A 69 -7.796 2.871 -2.663 1.00 0.90 H new ATOM 0 HD13 ILE A 69 -8.186 1.866 -4.079 1.00 0.90 H new ATOM 1103 N GLY A 70 -4.334 2.929 -7.034 1.00 0.94 N ATOM 1104 CA GLY A 70 -3.562 3.731 -8.024 1.00 1.22 C ATOM 1105 C GLY A 70 -2.091 3.780 -7.659 1.00 0.92 C ATOM 1106 O GLY A 70 -1.467 2.746 -7.465 1.00 1.59 O ATOM 0 H GLY A 70 -3.940 2.018 -6.799 1.00 0.94 H new ATOM 0 HA2 GLY A 70 -3.679 3.298 -9.018 1.00 1.22 H new ATOM 0 HA3 GLY A 70 -3.963 4.744 -8.068 1.00 1.22 H new ATOM 1110 N GLY A 71 -1.575 4.977 -7.546 1.00 1.23 N ATOM 1111 CA GLY A 71 -0.129 5.128 -7.218 1.00 1.14 C ATOM 1112 C GLY A 71 0.091 5.719 -5.824 1.00 1.18 C ATOM 1113 O GLY A 71 -0.840 5.974 -5.073 1.00 1.94 O ATOM 0 H GLY A 71 -2.089 5.850 -7.666 1.00 1.23 H new ATOM 0 HA2 GLY A 71 0.359 4.155 -7.279 1.00 1.14 H new ATOM 0 HA3 GLY A 71 0.345 5.769 -7.961 1.00 1.14 H new ATOM 1117 N TYR A 72 1.344 5.959 -5.537 1.00 0.93 N ATOM 1118 CA TYR A 72 1.744 6.521 -4.211 1.00 0.82 C ATOM 1119 C TYR A 72 0.961 7.792 -3.869 1.00 0.80 C ATOM 1120 O TYR A 72 0.488 7.924 -2.768 1.00 0.97 O ATOM 1121 CB TYR A 72 3.247 6.840 -4.243 1.00 0.90 C ATOM 1122 CG TYR A 72 3.792 7.108 -2.826 1.00 0.80 C ATOM 1123 CD1 TYR A 72 3.522 6.239 -1.782 1.00 0.83 C ATOM 1124 CD2 TYR A 72 4.605 8.199 -2.578 1.00 1.09 C ATOM 1125 CE1 TYR A 72 4.052 6.454 -0.528 1.00 1.05 C ATOM 1126 CE2 TYR A 72 5.138 8.411 -1.318 1.00 1.31 C ATOM 1127 CZ TYR A 72 4.865 7.536 -0.284 1.00 1.26 C ATOM 1128 OH TYR A 72 5.412 7.726 0.975 1.00 1.67 O ATOM 0 H TYR A 72 2.120 5.787 -6.176 1.00 0.93 H new ATOM 0 HA TYR A 72 1.521 5.780 -3.444 1.00 0.82 H new ATOM 0 HB2 TYR A 72 3.788 6.007 -4.692 1.00 0.90 H new ATOM 0 HB3 TYR A 72 3.423 7.711 -4.874 1.00 0.90 H new ATOM 0 HD1 TYR A 72 2.888 5.382 -1.953 1.00 0.83 H new ATOM 0 HD2 TYR A 72 4.826 8.893 -3.376 1.00 1.09 H new ATOM 0 HE1 TYR A 72 3.826 5.765 0.272 1.00 1.05 H new ATOM 0 HE2 TYR A 72 5.772 9.267 -1.142 1.00 1.31 H new ATOM 0 HH TYR A 72 5.757 6.874 1.314 1.00 1.67 H new ATOM 1138 N THR A 73 0.817 8.693 -4.807 1.00 0.90 N ATOM 1139 CA THR A 73 0.069 9.952 -4.504 1.00 0.95 C ATOM 1140 C THR A 73 -1.398 9.646 -4.160 1.00 0.93 C ATOM 1141 O THR A 73 -1.875 9.999 -3.096 1.00 1.14 O ATOM 1142 CB THR A 73 0.151 10.863 -5.734 1.00 1.16 C ATOM 1143 OG1 THR A 73 -0.315 10.068 -6.817 1.00 1.57 O ATOM 1144 CG2 THR A 73 1.611 11.183 -6.077 1.00 1.20 C ATOM 0 H THR A 73 1.179 8.615 -5.757 1.00 0.90 H new ATOM 0 HA THR A 73 0.512 10.446 -3.639 1.00 0.95 H new ATOM 0 HB THR A 73 -0.405 11.783 -5.556 1.00 1.16 H new ATOM 0 HG1 THR A 73 -0.291 10.594 -7.643 1.00 1.57 H new ATOM 0 HG21 THR A 73 1.645 11.831 -6.953 1.00 1.20 H new ATOM 0 HG22 THR A 73 2.081 11.689 -5.233 1.00 1.20 H new ATOM 0 HG23 THR A 73 2.146 10.257 -6.289 1.00 1.20 H new ATOM 1152 N ASP A 74 -2.085 9.024 -5.087 1.00 0.95 N ATOM 1153 CA ASP A 74 -3.519 8.664 -4.845 1.00 0.96 C ATOM 1154 C ASP A 74 -3.648 7.974 -3.486 1.00 0.85 C ATOM 1155 O ASP A 74 -4.358 8.435 -2.611 1.00 0.89 O ATOM 1156 CB ASP A 74 -4.015 7.716 -5.945 1.00 1.12 C ATOM 1157 CG ASP A 74 -5.543 7.607 -5.854 1.00 3.23 C ATOM 1158 OD1 ASP A 74 -6.002 6.963 -4.916 1.00 4.59 O ATOM 1159 OD2 ASP A 74 -6.158 8.209 -6.714 1.00 4.22 O ATOM 0 H ASP A 74 -1.717 8.750 -5.998 1.00 0.95 H new ATOM 0 HA ASP A 74 -4.121 9.572 -4.856 1.00 0.96 H new ATOM 0 HB2 ASP A 74 -3.721 8.090 -6.926 1.00 1.12 H new ATOM 0 HB3 ASP A 74 -3.559 6.733 -5.829 1.00 1.12 H new ATOM 1164 N PHE A 75 -2.903 6.909 -3.329 1.00 0.78 N ATOM 1165 CA PHE A 75 -2.951 6.167 -2.043 1.00 0.70 C ATOM 1166 C PHE A 75 -2.637 7.125 -0.889 1.00 0.64 C ATOM 1167 O PHE A 75 -3.305 7.103 0.111 1.00 0.67 O ATOM 1168 CB PHE A 75 -1.933 5.024 -2.089 1.00 0.73 C ATOM 1169 CG PHE A 75 -1.924 4.253 -0.759 1.00 0.65 C ATOM 1170 CD1 PHE A 75 -3.020 3.520 -0.342 1.00 0.64 C ATOM 1171 CD2 PHE A 75 -0.779 4.245 0.014 1.00 0.77 C ATOM 1172 CE1 PHE A 75 -2.960 2.786 0.822 1.00 0.63 C ATOM 1173 CE2 PHE A 75 -0.723 3.516 1.180 1.00 0.80 C ATOM 1174 CZ PHE A 75 -1.814 2.786 1.582 1.00 0.67 C ATOM 0 H PHE A 75 -2.270 6.527 -4.032 1.00 0.78 H new ATOM 0 HA PHE A 75 -3.946 5.750 -1.886 1.00 0.70 H new ATOM 0 HB2 PHE A 75 -2.176 4.346 -2.907 1.00 0.73 H new ATOM 0 HB3 PHE A 75 -0.939 5.423 -2.291 1.00 0.73 H new ATOM 0 HD1 PHE A 75 -3.925 3.523 -0.931 1.00 0.64 H new ATOM 0 HD2 PHE A 75 0.082 4.817 -0.300 1.00 0.77 H new ATOM 0 HE1 PHE A 75 -3.816 2.209 1.139 1.00 0.63 H new ATOM 0 HE2 PHE A 75 0.177 3.518 1.777 1.00 0.80 H new ATOM 0 HZ PHE A 75 -1.772 2.211 2.496 1.00 0.67 H new ATOM 1184 N ALA A 76 -1.621 7.936 -1.039 1.00 0.66 N ATOM 1185 CA ALA A 76 -1.275 8.901 0.051 1.00 0.69 C ATOM 1186 C ALA A 76 -2.496 9.758 0.412 1.00 0.74 C ATOM 1187 O ALA A 76 -2.872 9.816 1.565 1.00 0.78 O ATOM 1188 CB ALA A 76 -0.119 9.791 -0.417 1.00 0.78 C ATOM 0 H ALA A 76 -1.019 7.973 -1.862 1.00 0.66 H new ATOM 0 HA ALA A 76 -0.972 8.350 0.941 1.00 0.69 H new ATOM 0 HB1 ALA A 76 0.139 10.497 0.372 1.00 0.78 H new ATOM 0 HB2 ALA A 76 0.748 9.171 -0.647 1.00 0.78 H new ATOM 0 HB3 ALA A 76 -0.420 10.339 -1.310 1.00 0.78 H new ATOM 1194 N ALA A 77 -3.071 10.417 -0.566 1.00 0.83 N ATOM 1195 CA ALA A 77 -4.280 11.255 -0.282 1.00 0.95 C ATOM 1196 C ALA A 77 -5.330 10.354 0.348 1.00 0.99 C ATOM 1197 O ALA A 77 -5.848 10.651 1.391 1.00 1.05 O ATOM 1198 CB ALA A 77 -4.826 11.853 -1.586 1.00 1.09 C ATOM 0 H ALA A 77 -2.760 10.412 -1.538 1.00 0.83 H new ATOM 0 HA ALA A 77 -4.023 12.074 0.389 1.00 0.95 H new ATOM 0 HB1 ALA A 77 -5.705 12.460 -1.368 1.00 1.09 H new ATOM 0 HB2 ALA A 77 -4.061 12.476 -2.049 1.00 1.09 H new ATOM 0 HB3 ALA A 77 -5.101 11.048 -2.268 1.00 1.09 H new ATOM 1204 N TRP A 78 -5.610 9.269 -0.315 1.00 1.03 N ATOM 1205 CA TRP A 78 -6.599 8.258 0.188 1.00 1.13 C ATOM 1206 C TRP A 78 -6.395 8.027 1.692 1.00 1.13 C ATOM 1207 O TRP A 78 -7.299 8.225 2.491 1.00 1.29 O ATOM 1208 CB TRP A 78 -6.344 6.969 -0.599 1.00 1.17 C ATOM 1209 CG TRP A 78 -7.229 5.790 -0.242 1.00 1.26 C ATOM 1210 CD1 TRP A 78 -8.504 5.591 -0.661 1.00 1.47 C ATOM 1211 CD2 TRP A 78 -6.967 4.730 0.585 1.00 1.23 C ATOM 1212 NE1 TRP A 78 -8.976 4.508 -0.136 1.00 1.49 N ATOM 1213 CE2 TRP A 78 -8.090 3.930 0.641 1.00 1.39 C ATOM 1214 CE3 TRP A 78 -5.840 4.434 1.323 1.00 1.24 C ATOM 1215 CZ2 TRP A 78 -8.116 2.816 1.433 1.00 1.52 C ATOM 1216 CZ3 TRP A 78 -5.879 3.307 2.126 1.00 1.46 C ATOM 1217 CH2 TRP A 78 -7.005 2.506 2.184 1.00 1.59 C ATOM 0 H TRP A 78 -5.186 9.028 -1.211 1.00 1.03 H new ATOM 0 HA TRP A 78 -7.625 8.599 0.048 1.00 1.13 H new ATOM 0 HB2 TRP A 78 -6.468 7.184 -1.660 1.00 1.17 H new ATOM 0 HB3 TRP A 78 -5.304 6.676 -0.452 1.00 1.17 H new ATOM 0 HD1 TRP A 78 -9.044 6.241 -1.333 1.00 1.47 H new ATOM 0 HE1 TRP A 78 -9.916 4.149 -0.304 1.00 1.49 H new ATOM 0 HE3 TRP A 78 -4.960 5.058 1.276 1.00 1.24 H new ATOM 0 HZ2 TRP A 78 -8.995 2.189 1.469 1.00 1.52 H new ATOM 0 HZ3 TRP A 78 -5.014 3.048 2.718 1.00 1.46 H new ATOM 0 HH2 TRP A 78 -7.013 1.634 2.821 1.00 1.59 H new ATOM 1228 N VAL A 79 -5.209 7.607 2.035 1.00 1.02 N ATOM 1229 CA VAL A 79 -4.865 7.350 3.460 1.00 1.08 C ATOM 1230 C VAL A 79 -5.331 8.493 4.367 1.00 1.23 C ATOM 1231 O VAL A 79 -5.512 8.294 5.553 1.00 1.89 O ATOM 1232 CB VAL A 79 -3.333 7.173 3.543 1.00 0.97 C ATOM 1233 CG1 VAL A 79 -2.851 7.179 4.992 1.00 1.11 C ATOM 1234 CG2 VAL A 79 -2.929 5.834 2.914 1.00 0.88 C ATOM 0 H VAL A 79 -4.451 7.428 1.376 1.00 1.02 H new ATOM 0 HA VAL A 79 -5.375 6.452 3.808 1.00 1.08 H new ATOM 0 HB VAL A 79 -2.877 8.006 3.008 1.00 0.97 H new ATOM 0 HG11 VAL A 79 -1.769 7.052 5.016 1.00 1.11 H new ATOM 0 HG12 VAL A 79 -3.116 8.127 5.460 1.00 1.11 H new ATOM 0 HG13 VAL A 79 -3.324 6.362 5.536 1.00 1.11 H new ATOM 0 HG21 VAL A 79 -1.847 5.715 2.975 1.00 0.88 H new ATOM 0 HG22 VAL A 79 -3.415 5.019 3.450 1.00 0.88 H new ATOM 0 HG23 VAL A 79 -3.237 5.815 1.869 1.00 0.88 H new ATOM 1244 N LYS A 80 -5.496 9.655 3.798 1.00 1.02 N ATOM 1245 CA LYS A 80 -5.941 10.835 4.584 1.00 1.20 C ATOM 1246 C LYS A 80 -7.409 11.169 4.281 1.00 1.27 C ATOM 1247 O LYS A 80 -8.264 11.037 5.127 1.00 1.79 O ATOM 1248 CB LYS A 80 -5.031 12.020 4.191 1.00 1.29 C ATOM 1249 CG LYS A 80 -4.634 12.845 5.431 1.00 1.59 C ATOM 1250 CD LYS A 80 -5.387 14.194 5.523 1.00 2.17 C ATOM 1251 CE LYS A 80 -6.756 14.029 6.216 1.00 2.24 C ATOM 1252 NZ LYS A 80 -7.841 13.744 5.236 1.00 2.55 N ATOM 0 H LYS A 80 -5.338 9.837 2.807 1.00 1.02 H new ATOM 0 HA LYS A 80 -5.868 10.628 5.652 1.00 1.20 H new ATOM 0 HB2 LYS A 80 -4.135 11.646 3.696 1.00 1.29 H new ATOM 0 HB3 LYS A 80 -5.548 12.659 3.475 1.00 1.29 H new ATOM 0 HG2 LYS A 80 -4.834 12.261 6.329 1.00 1.59 H new ATOM 0 HG3 LYS A 80 -3.561 13.035 5.407 1.00 1.59 H new ATOM 0 HD2 LYS A 80 -4.782 14.913 6.076 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -5.531 14.601 4.522 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -6.700 13.218 6.943 1.00 2.24 H new ATOM 0 HE3 LYS A 80 -6.995 14.937 6.769 1.00 2.24 H new ATOM 0 HZ1 LYS A 80 -8.562 14.491 5.290 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -7.443 13.715 4.276 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -8.277 12.826 5.458 1.00 2.55 H new ATOM 1266 N GLU A 81 -7.672 11.611 3.090 1.00 1.33 N ATOM 1267 CA GLU A 81 -9.069 11.989 2.696 1.00 1.50 C ATOM 1268 C GLU A 81 -10.092 10.871 2.899 1.00 1.47 C ATOM 1269 O GLU A 81 -11.280 11.128 2.991 1.00 1.77 O ATOM 1270 CB GLU A 81 -9.062 12.371 1.212 1.00 1.74 C ATOM 1271 CG GLU A 81 -8.467 13.772 1.011 1.00 2.31 C ATOM 1272 CD GLU A 81 -7.037 13.827 1.543 1.00 3.58 C ATOM 1273 OE1 GLU A 81 -6.170 13.381 0.822 1.00 4.15 O ATOM 1274 OE2 GLU A 81 -6.899 14.285 2.655 1.00 4.69 O ATOM 0 H GLU A 81 -6.975 11.732 2.355 1.00 1.33 H new ATOM 0 HA GLU A 81 -9.369 12.815 3.341 1.00 1.50 H new ATOM 0 HB2 GLU A 81 -8.483 11.641 0.647 1.00 1.74 H new ATOM 0 HB3 GLU A 81 -10.079 12.343 0.820 1.00 1.74 H new ATOM 0 HG2 GLU A 81 -8.477 14.029 -0.048 1.00 2.31 H new ATOM 0 HG3 GLU A 81 -9.081 14.512 1.525 1.00 2.31 H new ATOM 1281 N ASN A 82 -9.622 9.667 2.940 1.00 1.38 N ATOM 1282 CA ASN A 82 -10.521 8.507 3.093 1.00 1.41 C ATOM 1283 C ASN A 82 -10.376 7.768 4.429 1.00 1.28 C ATOM 1284 O ASN A 82 -11.349 7.237 4.926 1.00 1.42 O ATOM 1285 CB ASN A 82 -10.205 7.677 1.854 1.00 1.74 C ATOM 1286 CG ASN A 82 -10.229 6.208 2.142 1.00 1.66 C ATOM 1287 OD1 ASN A 82 -9.081 5.743 2.482 1.00 2.04 O flip ATOM 1288 ND2 ASN A 82 -11.209 5.500 2.040 1.00 3.11 N flip ATOM 0 H ASN A 82 -8.631 9.434 2.872 1.00 1.38 H new ATOM 0 HA ASN A 82 -11.574 8.785 3.145 1.00 1.41 H new ATOM 0 HB2 ASN A 82 -10.928 7.905 1.071 1.00 1.74 H new ATOM 0 HB3 ASN A 82 -9.223 7.956 1.472 1.00 1.74 H new ATOM 0 HD21 ASN A 82 -12.105 5.905 1.768 1.00 3.11 H new ATOM 0 HD22 ASN A 82 -11.137 4.500 2.227 1.00 3.11 H new ATOM 1295 N LEU A 83 -9.202 7.738 4.993 1.00 1.11 N ATOM 1296 CA LEU A 83 -9.084 7.020 6.312 1.00 1.15 C ATOM 1297 C LEU A 83 -9.172 8.004 7.486 1.00 1.24 C ATOM 1298 O LEU A 83 -9.229 7.578 8.630 1.00 1.36 O ATOM 1299 CB LEU A 83 -7.763 6.250 6.409 1.00 1.09 C ATOM 1300 CG LEU A 83 -7.612 5.273 5.234 1.00 1.03 C ATOM 1301 CD1 LEU A 83 -6.342 4.446 5.442 1.00 1.07 C ATOM 1302 CD2 LEU A 83 -8.819 4.327 5.162 1.00 1.19 C ATOM 0 H LEU A 83 -8.347 8.157 4.626 1.00 1.11 H new ATOM 0 HA LEU A 83 -9.915 6.316 6.366 1.00 1.15 H new ATOM 0 HB2 LEU A 83 -6.928 6.951 6.414 1.00 1.09 H new ATOM 0 HB3 LEU A 83 -7.725 5.702 7.350 1.00 1.09 H new ATOM 0 HG LEU A 83 -7.553 5.839 4.305 1.00 1.03 H new ATOM 0 HD11 LEU A 83 -6.223 3.748 4.614 1.00 1.07 H new ATOM 0 HD12 LEU A 83 -5.478 5.110 5.484 1.00 1.07 H new ATOM 0 HD13 LEU A 83 -6.418 3.891 6.377 1.00 1.07 H new ATOM 0 HD21 LEU A 83 -8.695 3.642 4.323 1.00 1.19 H new ATOM 0 HD22 LEU A 83 -8.891 3.757 6.089 1.00 1.19 H new ATOM 0 HD23 LEU A 83 -9.730 4.909 5.023 1.00 1.19 H new ATOM 1314 N ASP A 84 -9.138 9.283 7.186 1.00 1.42 N ATOM 1315 CA ASP A 84 -9.241 10.330 8.254 1.00 1.63 C ATOM 1316 C ASP A 84 -10.457 11.198 7.959 1.00 2.23 C ATOM 1317 O ASP A 84 -11.350 11.345 8.772 1.00 2.91 O ATOM 1318 CB ASP A 84 -8.026 11.275 8.218 1.00 2.18 C ATOM 1319 CG ASP A 84 -6.746 10.582 8.647 1.00 2.71 C ATOM 1320 OD1 ASP A 84 -6.783 9.957 9.686 1.00 3.53 O ATOM 1321 OD2 ASP A 84 -5.770 10.742 7.942 1.00 3.27 O ATOM 0 H ASP A 84 -9.042 9.648 6.238 1.00 1.42 H new ATOM 0 HA ASP A 84 -9.303 9.826 9.219 1.00 1.63 H new ATOM 0 HB2 ASP A 84 -7.903 11.668 7.209 1.00 2.18 H new ATOM 0 HB3 ASP A 84 -8.212 12.128 8.871 1.00 2.18 H new