USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 846 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 12 HIS : no HE2:sc= -1.04 K(o=-2.6,f=-5.8!) USER MOD Set 1.2: A 103 CYS SG : rot -179:sc= -1.56 USER MOD Set 2.1: A 92 ASN : amide:sc= -3.27 K(o=-4.4,f=-3.8) USER MOD Set 2.2: A 97 GLN : amide:sc= 1.24 K(o=-4.4,f=-3.8) USER MOD Set 2.3: A 99 GLN : amide:sc= -2.38! C(o=-4.4!,f=-3.8!) USER MOD Set 3.1: A 10 SER OG : rot -62:sc= 0.287 USER MOD Set 3.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 53 MET CE :methyl -164:sc= -0.141 (180deg=-0.549) USER MOD Set 3.4: A 56 SER OG : rot 180:sc= -0.0115 USER MOD Set 3.5: A 71 TYR OH : rot 28:sc= 0.905 USER MOD Set 3.6: A 85 THR OG1 : rot 32:sc= 1.96 USER MOD Set 3.7: A 105 ASN : amide:sc= 0.0594 X(o=3.1,f=3) USER MOD Set 4.1: A 42 TYR OH : rot -154:sc= 0.785 USER MOD Set 4.2: A 54 THR OG1 : rot 65:sc= 1.11 USER MOD Set 5.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 100 CYS SG : rot -57:sc= 0.376 USER MOD Set 6.1: A 16 MET CE :methyl 163:sc= -4.33! (180deg=-4.81!) USER MOD Set 6.2: A 57 HIS : no HD1:sc= 0.364 K(o=-4,f=-6) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc=-0.000323 (180deg=-0.114) USER MOD Single : A 7 THR OG1 : rot -121:sc= 0.329 USER MOD Single : A 13 SER OG : rot 24:sc= 0.078 USER MOD Single : A 14 MET CE :methyl -154:sc= -0.232 (180deg=-0.876) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.347! (180deg=-0.672) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -17:sc= -3.33! USER MOD Single : A 26 THR OG1 : rot -91:sc= 1.2 USER MOD Single : A 31 TYR OH : rot 174:sc=-0.00104 USER MOD Single : A 32 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-4.4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -7.49! C(o=-7.5!,f=-8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.246 K(o=-0.25,f=-1.9) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.034) USER MOD Single : A 58 GLN : amide:sc= -0.56 X(o=-0.56,f=-0.83) USER MOD Single : A 59 ASN : amide:sc= -0.0773 X(o=-0.077,f=-0.35) USER MOD Single : A 61 CYS SG : rot -26:sc= 0.0701 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0706 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 68 SER OG : rot 172:sc= 1.17 USER MOD Single : A 70 GLN : amide:sc= -1.38 K(o=-1.4,f=0) USER MOD Single : A 73 MET CE :methyl -137:sc= -0.141 (180deg=-0.857) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-0.22) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 86 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.017) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0632 USER MOD Single : A 91 TYR OH : rot -37:sc= 0.362 USER MOD Single : A 95 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.4!) USER MOD Single : A 102 MET CE :methyl 165:sc= -0.127 (180deg=-0.597) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 6 -9.377 4.761 -9.474 1.00 0.74 N ATOM 61 CA LYS A 6 -8.928 5.535 -8.337 1.00 0.49 C ATOM 62 C LYS A 6 -7.537 5.070 -7.937 1.00 0.39 C ATOM 63 O LYS A 6 -7.377 4.019 -7.332 1.00 0.48 O ATOM 64 CB LYS A 6 -9.905 5.382 -7.173 1.00 0.68 C ATOM 65 CG LYS A 6 -11.281 5.965 -7.452 1.00 0.95 C ATOM 66 CD LYS A 6 -11.218 7.474 -7.622 1.00 1.62 C ATOM 67 CE LYS A 6 -12.582 8.060 -7.950 1.00 2.01 C ATOM 68 NZ LYS A 6 -13.061 7.639 -9.292 1.00 2.61 N ATOM 0 HA LYS A 6 -8.889 6.591 -8.606 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -10.010 4.324 -6.934 1.00 0.68 H new ATOM 0 HB3 LYS A 6 -9.486 5.868 -6.292 1.00 0.68 H new ATOM 0 HG2 LYS A 6 -11.694 5.512 -8.354 1.00 0.95 H new ATOM 0 HG3 LYS A 6 -11.956 5.717 -6.633 1.00 0.95 H new ATOM 0 HD2 LYS A 6 -10.837 7.928 -6.707 1.00 1.62 H new ATOM 0 HD3 LYS A 6 -10.515 7.722 -8.417 1.00 1.62 H new ATOM 0 HE2 LYS A 6 -13.302 7.748 -7.194 1.00 2.01 H new ATOM 0 HE3 LYS A 6 -12.528 9.148 -7.909 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 -13.896 8.201 -9.554 1.00 2.61 H new ATOM 0 HZ2 LYS A 6 -12.308 7.791 -9.993 1.00 2.61 H new ATOM 0 HZ3 LYS A 6 -13.315 6.631 -9.269 1.00 2.61 H new ATOM 82 N THR A 7 -6.534 5.841 -8.299 1.00 0.30 N ATOM 83 CA THR A 7 -5.162 5.441 -8.081 1.00 0.27 C ATOM 84 C THR A 7 -4.403 6.521 -7.324 1.00 0.21 C ATOM 85 O THR A 7 -4.391 7.682 -7.733 1.00 0.22 O ATOM 86 CB THR A 7 -4.459 5.152 -9.425 1.00 0.33 C ATOM 87 OG1 THR A 7 -5.165 4.126 -10.141 1.00 0.43 O ATOM 88 CG2 THR A 7 -3.020 4.716 -9.208 1.00 0.34 C ATOM 0 H THR A 7 -6.644 6.751 -8.747 1.00 0.30 H new ATOM 0 HA THR A 7 -5.168 4.529 -7.484 1.00 0.27 H new ATOM 0 HB THR A 7 -4.460 6.073 -10.008 1.00 0.33 H new ATOM 0 HG1 THR A 7 -4.564 3.369 -10.306 1.00 0.43 H new ATOM 0 HG21 THR A 7 -2.550 4.519 -10.172 1.00 0.34 H new ATOM 0 HG22 THR A 7 -2.474 5.506 -8.693 1.00 0.34 H new ATOM 0 HG23 THR A 7 -3.002 3.809 -8.604 1.00 0.34 H new ATOM 96 N PHE A 8 -3.779 6.145 -6.221 1.00 0.19 N ATOM 97 CA PHE A 8 -3.004 7.100 -5.445 1.00 0.18 C ATOM 98 C PHE A 8 -1.633 6.514 -5.106 1.00 0.19 C ATOM 99 O PHE A 8 -1.498 5.312 -4.854 1.00 0.22 O ATOM 100 CB PHE A 8 -3.774 7.530 -4.184 1.00 0.21 C ATOM 101 CG PHE A 8 -3.565 6.665 -2.974 1.00 0.23 C ATOM 102 CD1 PHE A 8 -4.202 5.443 -2.848 1.00 0.30 C ATOM 103 CD2 PHE A 8 -2.729 7.091 -1.957 1.00 0.27 C ATOM 104 CE1 PHE A 8 -4.002 4.659 -1.728 1.00 0.38 C ATOM 105 CE2 PHE A 8 -2.525 6.316 -0.839 1.00 0.36 C ATOM 106 CZ PHE A 8 -3.163 5.096 -0.723 1.00 0.40 C ATOM 0 H PHE A 8 -3.792 5.197 -5.845 1.00 0.19 H new ATOM 0 HA PHE A 8 -2.843 7.997 -6.043 1.00 0.18 H new ATOM 0 HB2 PHE A 8 -3.486 8.551 -3.934 1.00 0.21 H new ATOM 0 HB3 PHE A 8 -4.839 7.547 -4.417 1.00 0.21 H new ATOM 0 HD1 PHE A 8 -4.861 5.099 -3.632 1.00 0.30 H new ATOM 0 HD2 PHE A 8 -2.230 8.045 -2.042 1.00 0.27 H new ATOM 0 HE1 PHE A 8 -4.501 3.706 -1.639 1.00 0.38 H new ATOM 0 HE2 PHE A 8 -1.868 6.660 -0.054 1.00 0.36 H new ATOM 0 HZ PHE A 8 -3.005 4.485 0.153 1.00 0.40 H new ATOM 116 N LEU A 9 -0.617 7.365 -5.152 1.00 0.18 N ATOM 117 CA LEU A 9 0.755 6.955 -4.893 1.00 0.20 C ATOM 118 C LEU A 9 0.994 6.811 -3.391 1.00 0.20 C ATOM 119 O LEU A 9 0.404 7.524 -2.582 1.00 0.33 O ATOM 120 CB LEU A 9 1.709 7.994 -5.515 1.00 0.22 C ATOM 121 CG LEU A 9 3.187 7.596 -5.664 1.00 0.27 C ATOM 122 CD1 LEU A 9 3.946 7.770 -4.358 1.00 0.30 C ATOM 123 CD2 LEU A 9 3.312 6.164 -6.166 1.00 0.37 C ATOM 0 H LEU A 9 -0.721 8.356 -5.369 1.00 0.18 H new ATOM 0 HA LEU A 9 0.944 5.982 -5.347 1.00 0.20 H new ATOM 0 HB2 LEU A 9 1.328 8.252 -6.503 1.00 0.22 H new ATOM 0 HB3 LEU A 9 1.663 8.899 -4.909 1.00 0.22 H new ATOM 0 HG LEU A 9 3.634 8.264 -6.401 1.00 0.27 H new ATOM 0 HD11 LEU A 9 4.987 7.479 -4.501 1.00 0.30 H new ATOM 0 HD12 LEU A 9 3.900 8.814 -4.047 1.00 0.30 H new ATOM 0 HD13 LEU A 9 3.496 7.142 -3.589 1.00 0.30 H new ATOM 0 HD21 LEU A 9 4.366 5.904 -6.264 1.00 0.37 H new ATOM 0 HD22 LEU A 9 2.835 5.487 -5.457 1.00 0.37 H new ATOM 0 HD23 LEU A 9 2.824 6.075 -7.137 1.00 0.37 H new ATOM 135 N SER A 10 1.841 5.868 -3.023 1.00 0.32 N ATOM 136 CA SER A 10 2.179 5.641 -1.632 1.00 0.32 C ATOM 137 C SER A 10 3.644 5.263 -1.501 1.00 0.28 C ATOM 138 O SER A 10 4.269 4.825 -2.468 1.00 0.29 O ATOM 139 CB SER A 10 1.314 4.523 -1.058 1.00 0.41 C ATOM 140 OG SER A 10 -0.056 4.797 -1.253 1.00 1.10 O ATOM 0 H SER A 10 2.311 5.242 -3.676 1.00 0.32 H new ATOM 0 HA SER A 10 1.996 6.561 -1.077 1.00 0.32 H new ATOM 0 HB2 SER A 10 1.571 3.577 -1.535 1.00 0.41 H new ATOM 0 HB3 SER A 10 1.518 4.409 0.007 1.00 0.41 H new ATOM 0 HG SER A 10 -0.297 5.616 -0.773 1.00 1.10 H new ATOM 146 N ARG A 11 4.176 5.400 -0.298 1.00 0.28 N ATOM 147 CA ARG A 11 5.550 5.001 -0.038 1.00 0.30 C ATOM 148 C ARG A 11 5.673 4.401 1.341 1.00 0.21 C ATOM 149 O ARG A 11 4.951 4.770 2.264 1.00 0.21 O ATOM 150 CB ARG A 11 6.557 6.147 -0.188 1.00 0.51 C ATOM 151 CG ARG A 11 6.543 6.799 -1.560 1.00 0.99 C ATOM 152 CD ARG A 11 7.846 7.523 -1.846 1.00 1.00 C ATOM 153 NE ARG A 11 7.977 8.781 -1.115 1.00 1.28 N ATOM 154 CZ ARG A 11 7.759 9.985 -1.650 1.00 1.70 C ATOM 155 NH1 ARG A 11 7.348 10.096 -2.909 1.00 1.99 N ATOM 156 NH2 ARG A 11 7.959 11.076 -0.925 1.00 2.46 N ATOM 0 H ARG A 11 3.682 5.781 0.509 1.00 0.28 H new ATOM 0 HA ARG A 11 5.796 4.258 -0.797 1.00 0.30 H new ATOM 0 HB2 ARG A 11 6.346 6.905 0.566 1.00 0.51 H new ATOM 0 HB3 ARG A 11 7.559 5.767 0.013 1.00 0.51 H new ATOM 0 HG2 ARG A 11 6.373 6.039 -2.323 1.00 0.99 H new ATOM 0 HG3 ARG A 11 5.713 7.503 -1.621 1.00 0.99 H new ATOM 0 HD2 ARG A 11 8.681 6.871 -1.588 1.00 1.00 H new ATOM 0 HD3 ARG A 11 7.916 7.722 -2.915 1.00 1.00 H new ATOM 0 HE ARG A 11 8.252 8.737 -0.134 1.00 1.28 H new ATOM 0 HH11 ARG A 11 7.197 9.259 -3.472 1.00 1.99 H new ATOM 0 HH12 ARG A 11 7.183 11.018 -3.312 1.00 1.99 H new ATOM 0 HH21 ARG A 11 8.279 10.995 0.040 1.00 2.46 H new ATOM 0 HH22 ARG A 11 7.793 11.996 -1.332 1.00 2.46 H new ATOM 170 N HIS A 12 6.551 3.432 1.445 1.00 0.25 N ATOM 171 CA HIS A 12 6.894 2.823 2.714 1.00 0.32 C ATOM 172 C HIS A 12 8.402 2.904 2.887 1.00 0.32 C ATOM 173 O HIS A 12 9.091 3.351 1.988 1.00 0.36 O ATOM 174 CB HIS A 12 6.456 1.356 2.750 1.00 0.36 C ATOM 175 CG HIS A 12 5.018 1.106 2.396 1.00 0.41 C ATOM 176 ND1 HIS A 12 4.098 0.629 3.299 1.00 0.89 N ATOM 177 CD2 HIS A 12 4.364 1.193 1.211 1.00 0.41 C ATOM 178 CE1 HIS A 12 2.952 0.424 2.691 1.00 0.86 C ATOM 179 NE2 HIS A 12 3.080 0.761 1.422 1.00 0.51 N ATOM 0 H HIS A 12 7.052 3.039 0.648 1.00 0.25 H new ATOM 0 HA HIS A 12 6.383 3.351 3.519 1.00 0.32 H new ATOM 0 HB2 HIS A 12 7.086 0.789 2.064 1.00 0.36 H new ATOM 0 HB3 HIS A 12 6.640 0.963 3.750 1.00 0.36 H new ATOM 0 HD1 HIS A 12 4.278 0.460 4.289 1.00 0.89 H new ATOM 0 HD2 HIS A 12 4.778 1.538 0.275 1.00 0.41 H new ATOM 0 HE1 HIS A 12 2.054 0.043 3.153 1.00 0.86 H new ATOM 188 N SER A 13 8.904 2.479 4.026 1.00 0.32 N ATOM 189 CA SER A 13 10.345 2.390 4.240 1.00 0.35 C ATOM 190 C SER A 13 10.697 1.051 4.874 1.00 0.43 C ATOM 191 O SER A 13 10.052 0.655 5.839 1.00 0.91 O ATOM 192 CB SER A 13 10.817 3.527 5.143 1.00 0.68 C ATOM 193 OG SER A 13 10.062 3.561 6.347 1.00 1.70 O ATOM 0 H SER A 13 8.340 2.187 4.824 1.00 0.32 H new ATOM 0 HA SER A 13 10.846 2.472 3.275 1.00 0.35 H new ATOM 0 HB2 SER A 13 11.874 3.399 5.375 1.00 0.68 H new ATOM 0 HB3 SER A 13 10.719 4.478 4.620 1.00 0.68 H new ATOM 0 HG SER A 13 9.680 2.675 6.518 1.00 1.70 H new ATOM 199 N MET A 14 11.704 0.370 4.306 1.00 0.27 N ATOM 200 CA MET A 14 12.218 -0.922 4.811 1.00 0.36 C ATOM 201 C MET A 14 11.115 -1.897 5.247 1.00 0.33 C ATOM 202 O MET A 14 10.664 -2.742 4.464 1.00 0.40 O ATOM 203 CB MET A 14 13.186 -0.679 5.972 1.00 0.56 C ATOM 204 CG MET A 14 14.487 -0.011 5.555 1.00 1.35 C ATOM 205 SD MET A 14 15.489 0.515 6.960 1.00 1.76 S ATOM 206 CE MET A 14 14.415 1.765 7.669 1.00 2.75 C ATOM 0 H MET A 14 12.193 0.701 3.474 1.00 0.27 H new ATOM 0 HA MET A 14 12.735 -1.395 3.976 1.00 0.36 H new ATOM 0 HB2 MET A 14 12.693 -0.058 6.720 1.00 0.56 H new ATOM 0 HB3 MET A 14 13.414 -1.632 6.449 1.00 0.56 H new ATOM 0 HG2 MET A 14 15.065 -0.703 4.942 1.00 1.35 H new ATOM 0 HG3 MET A 14 14.262 0.854 4.932 1.00 1.35 H new ATOM 0 HE1 MET A 14 15.014 2.489 8.220 1.00 2.75 H new ATOM 0 HE2 MET A 14 13.873 2.274 6.872 1.00 2.75 H new ATOM 0 HE3 MET A 14 13.704 1.292 8.346 1.00 2.75 H new ATOM 216 N ASP A 15 10.689 -1.755 6.498 1.00 0.36 N ATOM 217 CA ASP A 15 9.666 -2.616 7.103 1.00 0.41 C ATOM 218 C ASP A 15 8.311 -2.444 6.427 1.00 0.34 C ATOM 219 O ASP A 15 7.396 -3.234 6.654 1.00 0.41 O ATOM 220 CB ASP A 15 9.537 -2.311 8.595 1.00 0.56 C ATOM 221 CG ASP A 15 9.209 -0.857 8.863 1.00 1.18 C ATOM 222 OD1 ASP A 15 8.013 -0.508 8.921 1.00 1.49 O ATOM 223 OD2 ASP A 15 10.149 -0.053 9.015 1.00 2.07 O ATOM 0 H ASP A 15 11.043 -1.036 7.129 1.00 0.36 H new ATOM 0 HA ASP A 15 9.984 -3.649 6.965 1.00 0.41 H new ATOM 0 HB2 ASP A 15 8.759 -2.941 9.025 1.00 0.56 H new ATOM 0 HB3 ASP A 15 10.470 -2.568 9.097 1.00 0.56 H new ATOM 228 N MET A 16 8.192 -1.394 5.618 1.00 0.29 N ATOM 229 CA MET A 16 7.010 -1.165 4.793 1.00 0.35 C ATOM 230 C MET A 16 5.809 -0.711 5.636 1.00 0.37 C ATOM 231 O MET A 16 4.672 -1.080 5.357 1.00 0.69 O ATOM 232 CB MET A 16 6.675 -2.438 3.981 1.00 0.49 C ATOM 233 CG MET A 16 5.561 -2.264 2.956 1.00 0.67 C ATOM 234 SD MET A 16 5.277 -3.732 1.947 1.00 0.73 S ATOM 235 CE MET A 16 6.696 -3.681 0.858 1.00 0.48 C ATOM 0 H MET A 16 8.912 -0.679 5.516 1.00 0.29 H new ATOM 0 HA MET A 16 7.233 -0.356 4.097 1.00 0.35 H new ATOM 0 HB2 MET A 16 7.576 -2.771 3.466 1.00 0.49 H new ATOM 0 HB3 MET A 16 6.392 -3.231 4.674 1.00 0.49 H new ATOM 0 HG2 MET A 16 4.638 -2.005 3.475 1.00 0.67 H new ATOM 0 HG3 MET A 16 5.806 -1.426 2.303 1.00 0.67 H new ATOM 0 HE1 MET A 16 6.831 -4.656 0.390 1.00 0.48 H new ATOM 0 HE2 MET A 16 6.536 -2.927 0.087 1.00 0.48 H new ATOM 0 HE3 MET A 16 7.587 -3.428 1.433 1.00 0.48 H new ATOM 245 N LYS A 17 6.036 0.124 6.647 1.00 0.31 N ATOM 246 CA LYS A 17 4.912 0.604 7.446 1.00 0.31 C ATOM 247 C LYS A 17 4.057 1.628 6.675 1.00 0.27 C ATOM 248 O LYS A 17 2.907 1.346 6.402 1.00 0.29 O ATOM 249 CB LYS A 17 5.389 1.183 8.789 1.00 0.42 C ATOM 250 CG LYS A 17 6.321 2.371 8.674 1.00 0.59 C ATOM 251 CD LYS A 17 6.606 3.004 10.027 1.00 0.70 C ATOM 252 CE LYS A 17 7.480 2.118 10.903 1.00 0.98 C ATOM 253 NZ LYS A 17 8.840 1.944 10.332 1.00 1.40 N ATOM 0 H LYS A 17 6.953 0.472 6.926 1.00 0.31 H new ATOM 0 HA LYS A 17 4.278 -0.257 7.657 1.00 0.31 H new ATOM 0 HB2 LYS A 17 4.516 1.479 9.371 1.00 0.42 H new ATOM 0 HB3 LYS A 17 5.894 0.396 9.349 1.00 0.42 H new ATOM 0 HG2 LYS A 17 7.259 2.054 8.217 1.00 0.59 H new ATOM 0 HG3 LYS A 17 5.880 3.115 8.011 1.00 0.59 H new ATOM 0 HD2 LYS A 17 7.098 3.965 9.880 1.00 0.70 H new ATOM 0 HD3 LYS A 17 5.664 3.203 10.539 1.00 0.70 H new ATOM 0 HE2 LYS A 17 7.557 2.555 11.899 1.00 0.98 H new ATOM 0 HE3 LYS A 17 7.007 1.143 11.019 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 9.483 1.590 11.069 1.00 1.40 H new ATOM 0 HZ2 LYS A 17 8.803 1.262 9.548 1.00 1.40 H new ATOM 0 HZ3 LYS A 17 9.188 2.858 9.979 1.00 1.40 H new ATOM 267 N PHE A 18 4.652 2.756 6.263 1.00 0.29 N ATOM 268 CA PHE A 18 3.977 3.832 5.494 1.00 0.30 C ATOM 269 C PHE A 18 4.662 5.163 5.789 1.00 0.38 C ATOM 270 O PHE A 18 4.572 5.685 6.895 1.00 0.68 O ATOM 271 CB PHE A 18 2.472 3.981 5.811 1.00 0.27 C ATOM 272 CG PHE A 18 1.548 3.555 4.686 1.00 0.30 C ATOM 273 CD1 PHE A 18 1.439 4.310 3.518 1.00 0.40 C ATOM 274 CD2 PHE A 18 0.788 2.394 4.791 1.00 0.32 C ATOM 275 CE1 PHE A 18 0.599 3.917 2.495 1.00 0.46 C ATOM 276 CE2 PHE A 18 -0.051 2.003 3.767 1.00 0.38 C ATOM 277 CZ PHE A 18 -0.151 2.779 2.617 1.00 0.44 C ATOM 0 H PHE A 18 5.633 2.958 6.454 1.00 0.29 H new ATOM 0 HA PHE A 18 4.058 3.552 4.444 1.00 0.30 H new ATOM 0 HB2 PHE A 18 2.240 3.391 6.698 1.00 0.27 H new ATOM 0 HB3 PHE A 18 2.267 5.023 6.058 1.00 0.27 H new ATOM 0 HD1 PHE A 18 2.020 5.214 3.412 1.00 0.40 H new ATOM 0 HD2 PHE A 18 0.855 1.791 5.685 1.00 0.32 H new ATOM 0 HE1 PHE A 18 0.534 4.510 1.595 1.00 0.46 H new ATOM 0 HE2 PHE A 18 -0.629 1.095 3.859 1.00 0.38 H new ATOM 0 HZ PHE A 18 -0.819 2.484 1.822 1.00 0.44 H new ATOM 287 N THR A 19 5.369 5.683 4.807 1.00 0.21 N ATOM 288 CA THR A 19 6.113 6.923 4.958 1.00 0.23 C ATOM 289 C THR A 19 5.560 8.031 4.068 1.00 0.22 C ATOM 290 O THR A 19 5.863 9.206 4.269 1.00 0.26 O ATOM 291 CB THR A 19 7.603 6.706 4.647 1.00 0.30 C ATOM 292 OG1 THR A 19 7.743 5.941 3.442 1.00 0.63 O ATOM 293 CG2 THR A 19 8.296 5.984 5.794 1.00 0.43 C ATOM 0 H THR A 19 5.446 5.261 3.882 1.00 0.21 H new ATOM 0 HA THR A 19 6.002 7.235 5.996 1.00 0.23 H new ATOM 0 HB THR A 19 8.072 7.682 4.517 1.00 0.30 H new ATOM 0 HG1 THR A 19 8.694 5.807 3.248 1.00 0.63 H new ATOM 0 HG21 THR A 19 9.349 5.842 5.551 1.00 0.43 H new ATOM 0 HG22 THR A 19 8.211 6.579 6.703 1.00 0.43 H new ATOM 0 HG23 THR A 19 7.825 5.013 5.950 1.00 0.43 H new ATOM 301 N TYR A 20 4.744 7.663 3.084 1.00 0.21 N ATOM 302 CA TYR A 20 4.113 8.656 2.217 1.00 0.23 C ATOM 303 C TYR A 20 2.740 8.196 1.763 1.00 0.21 C ATOM 304 O TYR A 20 2.534 7.017 1.462 1.00 0.22 O ATOM 305 CB TYR A 20 4.978 8.948 0.994 1.00 0.31 C ATOM 306 CG TYR A 20 4.428 10.032 0.097 1.00 0.38 C ATOM 307 CD1 TYR A 20 4.727 11.367 0.323 1.00 0.48 C ATOM 308 CD2 TYR A 20 3.604 9.717 -0.977 1.00 0.46 C ATOM 309 CE1 TYR A 20 4.224 12.358 -0.494 1.00 0.60 C ATOM 310 CE2 TYR A 20 3.098 10.701 -1.800 1.00 0.57 C ATOM 311 CZ TYR A 20 3.413 12.021 -1.555 1.00 0.64 C ATOM 312 OH TYR A 20 2.914 13.010 -2.371 1.00 0.77 O ATOM 0 H TYR A 20 4.505 6.695 2.868 1.00 0.21 H new ATOM 0 HA TYR A 20 4.005 9.569 2.802 1.00 0.23 H new ATOM 0 HB2 TYR A 20 5.975 9.237 1.327 1.00 0.31 H new ATOM 0 HB3 TYR A 20 5.090 8.032 0.414 1.00 0.31 H new ATOM 0 HD1 TYR A 20 5.364 11.635 1.153 1.00 0.48 H new ATOM 0 HD2 TYR A 20 3.356 8.684 -1.170 1.00 0.46 H new ATOM 0 HE1 TYR A 20 4.465 13.393 -0.303 1.00 0.60 H new ATOM 0 HE2 TYR A 20 2.459 10.440 -2.631 1.00 0.57 H new ATOM 0 HH TYR A 20 2.361 12.607 -3.073 1.00 0.77 H new ATOM 322 N CYS A 21 1.805 9.134 1.729 1.00 0.19 N ATOM 323 CA CYS A 21 0.472 8.879 1.222 1.00 0.19 C ATOM 324 C CYS A 21 0.009 10.028 0.340 1.00 0.18 C ATOM 325 O CYS A 21 0.114 11.199 0.715 1.00 0.21 O ATOM 326 CB CYS A 21 -0.488 8.701 2.387 1.00 0.20 C ATOM 327 SG CYS A 21 -0.255 7.161 3.291 1.00 0.34 S ATOM 0 H CYS A 21 1.952 10.090 2.052 1.00 0.19 H new ATOM 0 HA CYS A 21 0.490 7.969 0.623 1.00 0.19 H new ATOM 0 HB2 CYS A 21 -0.368 9.537 3.076 1.00 0.20 H new ATOM 0 HB3 CYS A 21 -1.511 8.740 2.012 1.00 0.20 H new ATOM 0 HG CYS A 21 0.447 6.337 2.571 1.00 0.34 H new ATOM 333 N ASP A 22 -0.464 9.683 -0.843 1.00 0.17 N ATOM 334 CA ASP A 22 -1.027 10.662 -1.771 1.00 0.18 C ATOM 335 C ASP A 22 -2.291 11.288 -1.184 1.00 0.18 C ATOM 336 O ASP A 22 -2.932 10.708 -0.313 1.00 0.20 O ATOM 337 CB ASP A 22 -1.341 9.987 -3.111 1.00 0.20 C ATOM 338 CG ASP A 22 -1.794 10.955 -4.194 1.00 0.27 C ATOM 339 OD1 ASP A 22 -2.954 11.402 -4.146 1.00 0.55 O ATOM 340 OD2 ASP A 22 -0.988 11.280 -5.089 1.00 0.67 O ATOM 0 H ASP A 22 -0.472 8.724 -1.192 1.00 0.17 H new ATOM 0 HA ASP A 22 -0.296 11.454 -1.935 1.00 0.18 H new ATOM 0 HB2 ASP A 22 -0.453 9.458 -3.458 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -2.118 9.239 -2.957 1.00 0.20 H new ATOM 345 N ASP A 23 -2.645 12.465 -1.676 1.00 0.20 N ATOM 346 CA ASP A 23 -3.792 13.213 -1.163 1.00 0.23 C ATOM 347 C ASP A 23 -5.082 12.437 -1.386 1.00 0.21 C ATOM 348 O ASP A 23 -6.033 12.545 -0.609 1.00 0.23 O ATOM 349 CB ASP A 23 -3.899 14.583 -1.844 1.00 0.31 C ATOM 350 CG ASP A 23 -2.696 15.469 -1.588 1.00 1.33 C ATOM 351 OD1 ASP A 23 -1.667 15.296 -2.279 1.00 1.97 O ATOM 352 OD2 ASP A 23 -2.772 16.346 -0.704 1.00 2.12 O ATOM 0 H ASP A 23 -2.151 12.930 -2.438 1.00 0.20 H new ATOM 0 HA ASP A 23 -3.641 13.359 -0.093 1.00 0.23 H new ATOM 0 HB2 ASP A 23 -4.016 14.440 -2.918 1.00 0.31 H new ATOM 0 HB3 ASP A 23 -4.797 15.089 -1.490 1.00 0.31 H new ATOM 357 N ARG A 24 -5.094 11.643 -2.449 1.00 0.20 N ATOM 358 CA ARG A 24 -6.272 10.886 -2.855 1.00 0.21 C ATOM 359 C ARG A 24 -6.712 9.867 -1.803 1.00 0.19 C ATOM 360 O ARG A 24 -7.876 9.461 -1.785 1.00 0.21 O ATOM 361 CB ARG A 24 -6.019 10.189 -4.195 1.00 0.24 C ATOM 362 CG ARG A 24 -6.044 11.134 -5.390 1.00 0.66 C ATOM 363 CD ARG A 24 -5.777 10.399 -6.697 1.00 1.23 C ATOM 364 NE ARG A 24 -5.937 11.272 -7.865 1.00 1.64 N ATOM 365 CZ ARG A 24 -5.582 10.934 -9.110 1.00 2.49 C ATOM 366 NH1 ARG A 24 -5.009 9.761 -9.350 1.00 3.22 N ATOM 367 NH2 ARG A 24 -5.801 11.774 -10.116 1.00 2.98 N ATOM 0 H ARG A 24 -4.286 11.505 -3.055 1.00 0.20 H new ATOM 0 HA ARG A 24 -7.087 11.602 -2.964 1.00 0.21 H new ATOM 0 HB2 ARG A 24 -5.051 9.690 -4.158 1.00 0.24 H new ATOM 0 HB3 ARG A 24 -6.772 9.414 -4.340 1.00 0.24 H new ATOM 0 HG2 ARG A 24 -7.014 11.628 -5.442 1.00 0.66 H new ATOM 0 HG3 ARG A 24 -5.296 11.914 -5.252 1.00 0.66 H new ATOM 0 HD2 ARG A 24 -4.765 9.994 -6.684 1.00 1.23 H new ATOM 0 HD3 ARG A 24 -6.458 9.552 -6.782 1.00 1.23 H new ATOM 0 HE ARG A 24 -6.345 12.195 -7.719 1.00 1.64 H new ATOM 0 HH11 ARG A 24 -4.837 9.111 -8.583 1.00 3.22 H new ATOM 0 HH12 ARG A 24 -4.741 9.510 -10.301 1.00 3.22 H new ATOM 0 HH21 ARG A 24 -6.240 12.678 -9.940 1.00 2.98 H new ATOM 0 HH22 ARG A 24 -5.530 11.515 -11.065 1.00 2.98 H new ATOM 381 N ILE A 25 -5.803 9.455 -0.917 1.00 0.17 N ATOM 382 CA ILE A 25 -6.127 8.409 0.052 1.00 0.18 C ATOM 383 C ILE A 25 -7.281 8.838 0.961 1.00 0.19 C ATOM 384 O ILE A 25 -8.077 8.007 1.396 1.00 0.21 O ATOM 385 CB ILE A 25 -4.906 8.002 0.910 1.00 0.19 C ATOM 386 CG1 ILE A 25 -5.246 6.772 1.753 1.00 0.24 C ATOM 387 CG2 ILE A 25 -4.448 9.149 1.802 1.00 0.19 C ATOM 388 CD1 ILE A 25 -4.063 6.191 2.489 1.00 0.76 C ATOM 0 H ILE A 25 -4.854 9.822 -0.851 1.00 0.17 H new ATOM 0 HA ILE A 25 -6.433 7.537 -0.526 1.00 0.18 H new ATOM 0 HB ILE A 25 -4.084 7.757 0.237 1.00 0.19 H new ATOM 0 HG12 ILE A 25 -6.016 7.041 2.476 1.00 0.24 H new ATOM 0 HG13 ILE A 25 -5.671 6.005 1.105 1.00 0.24 H new ATOM 0 HG21 ILE A 25 -3.589 8.830 2.392 1.00 0.19 H new ATOM 0 HG22 ILE A 25 -4.168 10.001 1.183 1.00 0.19 H new ATOM 0 HG23 ILE A 25 -5.260 9.437 2.470 1.00 0.19 H new ATOM 0 HD11 ILE A 25 -4.383 5.322 3.064 1.00 0.76 H new ATOM 0 HD12 ILE A 25 -3.300 5.890 1.771 1.00 0.76 H new ATOM 0 HD13 ILE A 25 -3.650 6.941 3.164 1.00 0.76 H new ATOM 400 N THR A 26 -7.375 10.140 1.220 1.00 0.20 N ATOM 401 CA THR A 26 -8.463 10.693 2.021 1.00 0.22 C ATOM 402 C THR A 26 -9.822 10.309 1.442 1.00 0.25 C ATOM 403 O THR A 26 -10.769 10.026 2.177 1.00 0.31 O ATOM 404 CB THR A 26 -8.366 12.230 2.111 1.00 0.25 C ATOM 405 OG1 THR A 26 -8.283 12.799 0.796 1.00 0.28 O ATOM 406 CG2 THR A 26 -7.154 12.649 2.929 1.00 0.26 C ATOM 0 H THR A 26 -6.707 10.834 0.885 1.00 0.20 H new ATOM 0 HA THR A 26 -8.368 10.272 3.022 1.00 0.22 H new ATOM 0 HB THR A 26 -9.264 12.598 2.607 1.00 0.25 H new ATOM 0 HG1 THR A 26 -7.342 12.879 0.533 1.00 0.28 H new ATOM 0 HG21 THR A 26 -7.107 13.737 2.978 1.00 0.26 H new ATOM 0 HG22 THR A 26 -7.238 12.243 3.937 1.00 0.26 H new ATOM 0 HG23 THR A 26 -6.248 12.267 2.458 1.00 0.26 H new ATOM 414 N GLU A 27 -9.898 10.284 0.118 1.00 0.25 N ATOM 415 CA GLU A 27 -11.134 9.962 -0.576 1.00 0.30 C ATOM 416 C GLU A 27 -11.319 8.453 -0.709 1.00 0.33 C ATOM 417 O GLU A 27 -12.443 7.965 -0.809 1.00 0.43 O ATOM 418 CB GLU A 27 -11.134 10.600 -1.969 1.00 0.38 C ATOM 419 CG GLU A 27 -11.019 12.115 -1.954 1.00 0.55 C ATOM 420 CD GLU A 27 -10.876 12.702 -3.345 1.00 1.43 C ATOM 421 OE1 GLU A 27 -11.909 12.933 -4.012 1.00 1.63 O ATOM 422 OE2 GLU A 27 -9.729 12.940 -3.779 1.00 2.28 O ATOM 0 H GLU A 27 -9.111 10.485 -0.499 1.00 0.25 H new ATOM 0 HA GLU A 27 -11.961 10.360 0.012 1.00 0.30 H new ATOM 0 HB2 GLU A 27 -10.306 10.189 -2.546 1.00 0.38 H new ATOM 0 HB3 GLU A 27 -12.052 10.321 -2.486 1.00 0.38 H new ATOM 0 HG2 GLU A 27 -11.901 12.538 -1.474 1.00 0.55 H new ATOM 0 HG3 GLU A 27 -10.158 12.405 -1.351 1.00 0.55 H new ATOM 429 N LEU A 28 -10.214 7.716 -0.688 1.00 0.27 N ATOM 430 CA LEU A 28 -10.248 6.294 -1.017 1.00 0.30 C ATOM 431 C LEU A 28 -10.329 5.411 0.225 1.00 0.31 C ATOM 432 O LEU A 28 -11.229 4.580 0.353 1.00 0.35 O ATOM 433 CB LEU A 28 -9.012 5.926 -1.840 1.00 0.30 C ATOM 434 CG LEU A 28 -8.800 6.774 -3.096 1.00 0.30 C ATOM 435 CD1 LEU A 28 -7.563 6.320 -3.851 1.00 0.31 C ATOM 436 CD2 LEU A 28 -10.026 6.715 -3.991 1.00 0.32 C ATOM 0 H LEU A 28 -9.290 8.075 -0.449 1.00 0.27 H new ATOM 0 HA LEU A 28 -11.152 6.114 -1.599 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -8.130 6.016 -1.205 1.00 0.30 H new ATOM 0 HB3 LEU A 28 -9.087 4.879 -2.134 1.00 0.30 H new ATOM 0 HG LEU A 28 -8.648 7.808 -2.788 1.00 0.30 H new ATOM 0 HD11 LEU A 28 -7.432 6.937 -4.740 1.00 0.31 H new ATOM 0 HD12 LEU A 28 -6.688 6.419 -3.209 1.00 0.31 H new ATOM 0 HD13 LEU A 28 -7.680 5.277 -4.147 1.00 0.31 H new ATOM 0 HD21 LEU A 28 -9.858 7.324 -4.879 1.00 0.32 H new ATOM 0 HD22 LEU A 28 -10.210 5.683 -4.288 1.00 0.32 H new ATOM 0 HD23 LEU A 28 -10.891 7.096 -3.449 1.00 0.32 H new ATOM 448 N ILE A 29 -9.399 5.607 1.145 1.00 0.28 N ATOM 449 CA ILE A 29 -9.277 4.738 2.309 1.00 0.30 C ATOM 450 C ILE A 29 -9.789 5.466 3.553 1.00 0.29 C ATOM 451 O ILE A 29 -9.939 4.884 4.630 1.00 0.33 O ATOM 452 CB ILE A 29 -7.806 4.293 2.523 1.00 0.30 C ATOM 453 CG1 ILE A 29 -7.198 3.775 1.214 1.00 0.33 C ATOM 454 CG2 ILE A 29 -7.712 3.216 3.593 1.00 0.34 C ATOM 455 CD1 ILE A 29 -7.909 2.569 0.636 1.00 1.10 C ATOM 0 H ILE A 29 -8.714 6.362 1.110 1.00 0.28 H new ATOM 0 HA ILE A 29 -9.879 3.846 2.136 1.00 0.30 H new ATOM 0 HB ILE A 29 -7.243 5.166 2.854 1.00 0.30 H new ATOM 0 HG12 ILE A 29 -7.211 4.578 0.477 1.00 0.33 H new ATOM 0 HG13 ILE A 29 -6.153 3.518 1.388 1.00 0.33 H new ATOM 0 HG21 ILE A 29 -6.670 2.922 3.723 1.00 0.34 H new ATOM 0 HG22 ILE A 29 -8.100 3.604 4.535 1.00 0.34 H new ATOM 0 HG23 ILE A 29 -8.298 2.349 3.289 1.00 0.34 H new ATOM 0 HD11 ILE A 29 -7.418 2.265 -0.288 1.00 1.10 H new ATOM 0 HD12 ILE A 29 -7.874 1.748 1.352 1.00 1.10 H new ATOM 0 HD13 ILE A 29 -8.948 2.824 0.427 1.00 1.10 H new ATOM 467 N GLY A 30 -10.078 6.746 3.376 1.00 0.27 N ATOM 468 CA GLY A 30 -10.579 7.568 4.459 1.00 0.29 C ATOM 469 C GLY A 30 -9.489 8.101 5.371 1.00 0.28 C ATOM 470 O GLY A 30 -9.687 9.110 6.045 1.00 0.32 O ATOM 0 H GLY A 30 -9.973 7.237 2.488 1.00 0.27 H new ATOM 0 HA2 GLY A 30 -11.134 8.408 4.040 1.00 0.29 H new ATOM 0 HA3 GLY A 30 -11.284 6.984 5.051 1.00 0.29 H new ATOM 474 N TYR A 31 -8.343 7.435 5.406 1.00 0.28 N ATOM 475 CA TYR A 31 -7.216 7.937 6.175 1.00 0.33 C ATOM 476 C TYR A 31 -6.549 9.073 5.422 1.00 0.34 C ATOM 477 O TYR A 31 -6.733 9.212 4.213 1.00 0.43 O ATOM 478 CB TYR A 31 -6.196 6.832 6.460 1.00 0.38 C ATOM 479 CG TYR A 31 -6.705 5.723 7.353 1.00 0.37 C ATOM 480 CD1 TYR A 31 -6.909 5.938 8.708 1.00 0.45 C ATOM 481 CD2 TYR A 31 -6.991 4.467 6.837 1.00 0.39 C ATOM 482 CE1 TYR A 31 -7.381 4.933 9.527 1.00 0.48 C ATOM 483 CE2 TYR A 31 -7.463 3.453 7.650 1.00 0.43 C ATOM 484 CZ TYR A 31 -7.625 3.678 8.995 1.00 0.46 C ATOM 485 OH TYR A 31 -8.126 2.684 9.803 1.00 0.53 O ATOM 0 H TYR A 31 -8.171 6.557 4.917 1.00 0.28 H new ATOM 0 HA TYR A 31 -7.593 8.300 7.131 1.00 0.33 H new ATOM 0 HB2 TYR A 31 -5.874 6.399 5.513 1.00 0.38 H new ATOM 0 HB3 TYR A 31 -5.316 7.278 6.922 1.00 0.38 H new ATOM 0 HD1 TYR A 31 -6.695 6.909 9.129 1.00 0.45 H new ATOM 0 HD2 TYR A 31 -6.843 4.279 5.784 1.00 0.39 H new ATOM 0 HE1 TYR A 31 -7.559 5.124 10.575 1.00 0.48 H new ATOM 0 HE2 TYR A 31 -7.703 2.488 7.229 1.00 0.43 H new ATOM 0 HH TYR A 31 -8.340 1.897 9.259 1.00 0.53 H new ATOM 495 N HIS A 32 -5.773 9.880 6.120 1.00 0.31 N ATOM 496 CA HIS A 32 -5.069 10.966 5.465 1.00 0.34 C ATOM 497 C HIS A 32 -3.576 10.729 5.517 1.00 0.23 C ATOM 498 O HIS A 32 -3.118 9.918 6.311 1.00 0.23 O ATOM 499 CB HIS A 32 -5.434 12.344 6.045 1.00 0.52 C ATOM 500 CG HIS A 32 -5.261 12.565 7.516 1.00 0.68 C ATOM 501 ND1 HIS A 32 -6.304 12.508 8.406 1.00 1.52 N ATOM 502 CD2 HIS A 32 -4.185 12.974 8.226 1.00 1.52 C ATOM 503 CE1 HIS A 32 -5.881 12.880 9.598 1.00 1.90 C ATOM 504 NE2 HIS A 32 -4.598 13.167 9.519 1.00 1.89 N ATOM 0 H HIS A 32 -5.615 9.807 7.125 1.00 0.31 H new ATOM 0 HA HIS A 32 -5.389 10.978 4.423 1.00 0.34 H new ATOM 0 HB2 HIS A 32 -4.837 13.092 5.524 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -6.477 12.542 5.800 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -3.185 13.121 7.845 1.00 1.52 H new ATOM 0 HE1 HIS A 32 -6.486 12.939 10.491 1.00 1.90 H new ATOM 0 HE2 HIS A 32 -4.010 13.481 10.291 1.00 1.89 H new ATOM 513 N PRO A 33 -2.799 11.405 4.650 1.00 0.24 N ATOM 514 CA PRO A 33 -1.345 11.273 4.630 1.00 0.27 C ATOM 515 C PRO A 33 -0.750 11.229 6.028 1.00 0.25 C ATOM 516 O PRO A 33 -0.069 10.277 6.387 1.00 0.29 O ATOM 517 CB PRO A 33 -0.902 12.525 3.881 1.00 0.34 C ATOM 518 CG PRO A 33 -2.004 12.772 2.911 1.00 0.33 C ATOM 519 CD PRO A 33 -3.273 12.327 3.594 1.00 0.29 C ATOM 0 HA PRO A 33 -1.015 10.344 4.165 1.00 0.27 H new ATOM 0 HB2 PRO A 33 -0.769 13.369 4.558 1.00 0.34 H new ATOM 0 HB3 PRO A 33 0.050 12.371 3.373 1.00 0.34 H new ATOM 0 HG2 PRO A 33 -2.056 13.827 2.641 1.00 0.33 H new ATOM 0 HG3 PRO A 33 -1.843 12.215 1.988 1.00 0.33 H new ATOM 0 HD2 PRO A 33 -3.818 13.172 4.015 1.00 0.29 H new ATOM 0 HD3 PRO A 33 -3.947 11.827 2.899 1.00 0.29 H new ATOM 527 N GLU A 34 -1.110 12.204 6.846 1.00 0.25 N ATOM 528 CA GLU A 34 -0.528 12.334 8.179 1.00 0.30 C ATOM 529 C GLU A 34 -1.059 11.252 9.099 1.00 0.28 C ATOM 530 O GLU A 34 -0.534 11.034 10.189 1.00 0.32 O ATOM 531 CB GLU A 34 -0.837 13.697 8.784 1.00 0.37 C ATOM 532 CG GLU A 34 -0.568 14.839 7.839 1.00 1.01 C ATOM 533 CD GLU A 34 0.859 14.850 7.339 1.00 1.68 C ATOM 534 OE1 GLU A 34 1.752 15.254 8.105 1.00 2.14 O ATOM 535 OE2 GLU A 34 1.095 14.454 6.178 1.00 2.13 O ATOM 0 H GLU A 34 -1.801 12.918 6.615 1.00 0.25 H new ATOM 0 HA GLU A 34 0.552 12.229 8.076 1.00 0.30 H new ATOM 0 HB2 GLU A 34 -1.883 13.724 9.088 1.00 0.37 H new ATOM 0 HB3 GLU A 34 -0.240 13.831 9.686 1.00 0.37 H new ATOM 0 HG2 GLU A 34 -1.247 14.771 6.989 1.00 1.01 H new ATOM 0 HG3 GLU A 34 -0.781 15.782 8.343 1.00 1.01 H new ATOM 542 N GLU A 35 -2.117 10.580 8.666 1.00 0.26 N ATOM 543 CA GLU A 35 -2.666 9.498 9.445 1.00 0.29 C ATOM 544 C GLU A 35 -1.763 8.285 9.343 1.00 0.29 C ATOM 545 O GLU A 35 -1.480 7.614 10.336 1.00 0.43 O ATOM 546 CB GLU A 35 -4.070 9.106 8.976 1.00 0.34 C ATOM 547 CG GLU A 35 -5.192 9.752 9.757 1.00 0.61 C ATOM 548 CD GLU A 35 -5.131 9.434 11.233 1.00 1.23 C ATOM 549 OE1 GLU A 35 -5.659 8.381 11.639 1.00 1.81 O ATOM 550 OE2 GLU A 35 -4.562 10.241 11.995 1.00 1.71 O ATOM 0 H GLU A 35 -2.602 10.768 7.789 1.00 0.26 H new ATOM 0 HA GLU A 35 -2.733 9.843 10.477 1.00 0.29 H new ATOM 0 HB2 GLU A 35 -4.176 9.372 7.924 1.00 0.34 H new ATOM 0 HB3 GLU A 35 -4.173 8.023 9.043 1.00 0.34 H new ATOM 0 HG2 GLU A 35 -5.150 10.833 9.620 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -6.149 9.417 9.356 1.00 0.61 H new ATOM 557 N LEU A 36 -1.315 8.011 8.124 1.00 0.27 N ATOM 558 CA LEU A 36 -0.529 6.820 7.857 1.00 0.29 C ATOM 559 C LEU A 36 0.965 7.066 8.077 1.00 0.32 C ATOM 560 O LEU A 36 1.736 6.125 8.259 1.00 0.46 O ATOM 561 CB LEU A 36 -0.765 6.305 6.441 1.00 0.29 C ATOM 562 CG LEU A 36 -2.188 5.838 6.150 1.00 0.28 C ATOM 563 CD1 LEU A 36 -3.030 6.997 5.661 1.00 0.32 C ATOM 564 CD2 LEU A 36 -2.181 4.706 5.136 1.00 0.29 C ATOM 0 H LEU A 36 -1.484 8.599 7.308 1.00 0.27 H new ATOM 0 HA LEU A 36 -0.860 6.061 8.566 1.00 0.29 H new ATOM 0 HB2 LEU A 36 -0.508 7.096 5.736 1.00 0.29 H new ATOM 0 HB3 LEU A 36 -0.082 5.476 6.254 1.00 0.29 H new ATOM 0 HG LEU A 36 -2.628 5.461 7.073 1.00 0.28 H new ATOM 0 HD11 LEU A 36 -4.043 6.650 5.457 1.00 0.32 H new ATOM 0 HD12 LEU A 36 -3.059 7.773 6.425 1.00 0.32 H new ATOM 0 HD13 LEU A 36 -2.595 7.403 4.748 1.00 0.32 H new ATOM 0 HD21 LEU A 36 -3.205 4.386 4.941 1.00 0.29 H new ATOM 0 HD22 LEU A 36 -1.726 5.052 4.208 1.00 0.29 H new ATOM 0 HD23 LEU A 36 -1.608 3.867 5.531 1.00 0.29 H new ATOM 576 N LEU A 37 1.362 8.336 8.039 1.00 0.41 N ATOM 577 CA LEU A 37 2.775 8.708 8.017 1.00 0.48 C ATOM 578 C LEU A 37 3.534 8.264 9.258 1.00 0.60 C ATOM 579 O LEU A 37 3.558 8.946 10.284 1.00 1.27 O ATOM 580 CB LEU A 37 2.956 10.214 7.805 1.00 0.76 C ATOM 581 CG LEU A 37 2.673 10.731 6.392 1.00 0.33 C ATOM 582 CD1 LEU A 37 3.571 11.909 6.073 1.00 0.77 C ATOM 583 CD2 LEU A 37 2.848 9.635 5.352 1.00 0.94 C ATOM 0 H LEU A 37 0.721 9.129 8.023 1.00 0.41 H new ATOM 0 HA LEU A 37 3.203 8.173 7.169 1.00 0.48 H new ATOM 0 HB2 LEU A 37 2.302 10.740 8.501 1.00 0.76 H new ATOM 0 HB3 LEU A 37 3.980 10.478 8.069 1.00 0.76 H new ATOM 0 HG LEU A 37 1.634 11.058 6.359 1.00 0.33 H new ATOM 0 HD11 LEU A 37 3.359 12.266 5.065 1.00 0.77 H new ATOM 0 HD12 LEU A 37 3.387 12.711 6.788 1.00 0.77 H new ATOM 0 HD13 LEU A 37 4.614 11.599 6.136 1.00 0.77 H new ATOM 0 HD21 LEU A 37 2.639 10.037 4.361 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.872 9.263 5.384 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.158 8.818 5.565 1.00 0.94 H new ATOM 595 N GLY A 38 4.122 7.089 9.152 1.00 0.31 N ATOM 596 CA GLY A 38 5.027 6.608 10.162 1.00 0.44 C ATOM 597 C GLY A 38 4.398 5.539 11.009 1.00 0.42 C ATOM 598 O GLY A 38 4.898 5.210 12.085 1.00 0.54 O ATOM 0 H GLY A 38 3.984 6.450 8.369 1.00 0.31 H new ATOM 0 HA2 GLY A 38 5.926 6.214 9.687 1.00 0.44 H new ATOM 0 HA3 GLY A 38 5.339 7.438 10.796 1.00 0.44 H new ATOM 602 N ARG A 39 3.298 4.988 10.525 1.00 0.34 N ATOM 603 CA ARG A 39 2.616 3.934 11.249 1.00 0.37 C ATOM 604 C ARG A 39 2.758 2.637 10.484 1.00 0.35 C ATOM 605 O ARG A 39 2.948 2.660 9.272 1.00 0.48 O ATOM 606 CB ARG A 39 1.144 4.272 11.436 1.00 0.48 C ATOM 607 CG ARG A 39 0.351 4.217 10.147 1.00 0.48 C ATOM 608 CD ARG A 39 -1.138 4.312 10.418 1.00 0.69 C ATOM 609 NE ARG A 39 -1.530 3.523 11.583 1.00 1.38 N ATOM 610 CZ ARG A 39 -2.413 3.933 12.486 1.00 1.72 C ATOM 611 NH1 ARG A 39 -3.030 5.095 12.328 1.00 1.80 N ATOM 612 NH2 ARG A 39 -2.673 3.181 13.543 1.00 2.61 N ATOM 0 H ARG A 39 2.862 5.251 9.641 1.00 0.34 H new ATOM 0 HA ARG A 39 3.067 3.831 12.236 1.00 0.37 H new ATOM 0 HB2 ARG A 39 0.707 3.578 12.154 1.00 0.48 H new ATOM 0 HB3 ARG A 39 1.059 5.270 11.865 1.00 0.48 H new ATOM 0 HG2 ARG A 39 0.658 5.033 9.493 1.00 0.48 H new ATOM 0 HG3 ARG A 39 0.570 3.288 9.621 1.00 0.48 H new ATOM 0 HD2 ARG A 39 -1.413 5.355 10.577 1.00 0.69 H new ATOM 0 HD3 ARG A 39 -1.689 3.967 9.543 1.00 0.69 H new ATOM 0 HE ARG A 39 -1.102 2.606 11.710 1.00 1.38 H new ATOM 0 HH11 ARG A 39 -2.827 5.674 11.513 1.00 1.80 H new ATOM 0 HH12 ARG A 39 -3.708 5.411 13.021 1.00 1.80 H new ATOM 0 HH21 ARG A 39 -2.195 2.288 13.663 1.00 2.61 H new ATOM 0 HH22 ARG A 39 -3.351 3.494 14.238 1.00 2.61 H new ATOM 626 N SER A 40 2.642 1.516 11.173 1.00 0.37 N ATOM 627 CA SER A 40 2.803 0.225 10.537 1.00 0.43 C ATOM 628 C SER A 40 1.564 -0.117 9.723 1.00 0.39 C ATOM 629 O SER A 40 0.453 -0.186 10.255 1.00 0.43 O ATOM 630 CB SER A 40 3.062 -0.867 11.578 1.00 0.57 C ATOM 631 OG SER A 40 3.460 -2.082 10.958 1.00 1.23 O ATOM 0 H SER A 40 2.437 1.475 12.171 1.00 0.37 H new ATOM 0 HA SER A 40 3.665 0.278 9.871 1.00 0.43 H new ATOM 0 HB2 SER A 40 3.837 -0.537 12.270 1.00 0.57 H new ATOM 0 HB3 SER A 40 2.160 -1.034 12.166 1.00 0.57 H new ATOM 0 HG SER A 40 3.621 -2.762 11.645 1.00 1.23 H new ATOM 637 N ALA A 41 1.768 -0.289 8.423 1.00 0.35 N ATOM 638 CA ALA A 41 0.712 -0.723 7.525 1.00 0.34 C ATOM 639 C ALA A 41 -0.020 -1.926 8.090 1.00 0.33 C ATOM 640 O ALA A 41 -1.239 -1.979 8.044 1.00 0.33 O ATOM 641 CB ALA A 41 1.275 -1.063 6.155 1.00 0.35 C ATOM 0 H ALA A 41 2.666 -0.132 7.966 1.00 0.35 H new ATOM 0 HA ALA A 41 0.006 0.101 7.423 1.00 0.34 H new ATOM 0 HB1 ALA A 41 0.466 -1.386 5.499 1.00 0.35 H new ATOM 0 HB2 ALA A 41 1.757 -0.182 5.731 1.00 0.35 H new ATOM 0 HB3 ALA A 41 2.006 -1.866 6.251 1.00 0.35 H new ATOM 647 N TYR A 42 0.737 -2.861 8.662 1.00 0.37 N ATOM 648 CA TYR A 42 0.205 -4.136 9.157 1.00 0.42 C ATOM 649 C TYR A 42 -0.958 -3.991 10.151 1.00 0.47 C ATOM 650 O TYR A 42 -1.591 -4.988 10.503 1.00 0.55 O ATOM 651 CB TYR A 42 1.324 -4.972 9.776 1.00 0.47 C ATOM 652 CG TYR A 42 2.072 -5.807 8.762 1.00 0.54 C ATOM 653 CD1 TYR A 42 3.095 -5.265 7.993 1.00 0.67 C ATOM 654 CD2 TYR A 42 1.745 -7.142 8.570 1.00 0.72 C ATOM 655 CE1 TYR A 42 3.769 -6.032 7.061 1.00 0.84 C ATOM 656 CE2 TYR A 42 2.414 -7.916 7.642 1.00 0.90 C ATOM 657 CZ TYR A 42 3.425 -7.358 6.890 1.00 0.91 C ATOM 658 OH TYR A 42 4.089 -8.129 5.963 1.00 1.14 O ATOM 0 H TYR A 42 1.743 -2.758 8.797 1.00 0.37 H new ATOM 0 HA TYR A 42 -0.208 -4.644 8.285 1.00 0.42 H new ATOM 0 HB2 TYR A 42 2.027 -4.310 10.282 1.00 0.47 H new ATOM 0 HB3 TYR A 42 0.901 -5.628 10.537 1.00 0.47 H new ATOM 0 HD1 TYR A 42 3.368 -4.228 8.126 1.00 0.67 H new ATOM 0 HD2 TYR A 42 0.953 -7.584 9.157 1.00 0.72 H new ATOM 0 HE1 TYR A 42 4.561 -5.596 6.470 1.00 0.84 H new ATOM 0 HE2 TYR A 42 2.146 -8.953 7.506 1.00 0.90 H new ATOM 0 HH TYR A 42 3.505 -8.857 5.664 1.00 1.14 H new ATOM 668 N GLU A 43 -1.245 -2.779 10.618 1.00 0.48 N ATOM 669 CA GLU A 43 -2.380 -2.560 11.510 1.00 0.56 C ATOM 670 C GLU A 43 -3.702 -2.645 10.742 1.00 0.57 C ATOM 671 O GLU A 43 -4.771 -2.801 11.337 1.00 1.01 O ATOM 672 CB GLU A 43 -2.279 -1.187 12.173 1.00 0.65 C ATOM 673 CG GLU A 43 -1.129 -1.037 13.150 1.00 0.95 C ATOM 674 CD GLU A 43 -1.143 0.317 13.820 1.00 1.72 C ATOM 675 OE1 GLU A 43 -0.590 1.277 13.245 1.00 2.57 O ATOM 676 OE2 GLU A 43 -1.682 0.429 14.940 1.00 1.89 O ATOM 0 H GLU A 43 -0.711 -1.939 10.396 1.00 0.48 H new ATOM 0 HA GLU A 43 -2.358 -3.339 12.272 1.00 0.56 H new ATOM 0 HB2 GLU A 43 -2.178 -0.430 11.395 1.00 0.65 H new ATOM 0 HB3 GLU A 43 -3.212 -0.983 12.698 1.00 0.65 H new ATOM 0 HG2 GLU A 43 -1.189 -1.819 13.907 1.00 0.95 H new ATOM 0 HG3 GLU A 43 -0.184 -1.174 12.625 1.00 0.95 H new ATOM 683 N PHE A 44 -3.616 -2.551 9.419 1.00 0.40 N ATOM 684 CA PHE A 44 -4.796 -2.454 8.566 1.00 0.38 C ATOM 685 C PHE A 44 -4.495 -2.943 7.155 1.00 0.30 C ATOM 686 O PHE A 44 -5.373 -2.967 6.289 1.00 0.40 O ATOM 687 CB PHE A 44 -5.275 -0.997 8.520 1.00 0.48 C ATOM 688 CG PHE A 44 -4.202 -0.014 8.121 1.00 0.48 C ATOM 689 CD1 PHE A 44 -3.388 0.572 9.079 1.00 0.50 C ATOM 690 CD2 PHE A 44 -4.008 0.322 6.790 1.00 0.62 C ATOM 691 CE1 PHE A 44 -2.403 1.468 8.718 1.00 0.56 C ATOM 692 CE2 PHE A 44 -3.022 1.219 6.425 1.00 0.77 C ATOM 693 CZ PHE A 44 -2.221 1.794 7.389 1.00 0.70 C ATOM 0 H PHE A 44 -2.732 -2.540 8.910 1.00 0.40 H new ATOM 0 HA PHE A 44 -5.578 -3.087 8.985 1.00 0.38 H new ATOM 0 HB2 PHE A 44 -6.105 -0.919 7.817 1.00 0.48 H new ATOM 0 HB3 PHE A 44 -5.661 -0.720 9.501 1.00 0.48 H new ATOM 0 HD1 PHE A 44 -3.527 0.324 10.121 1.00 0.50 H new ATOM 0 HD2 PHE A 44 -4.634 -0.122 6.030 1.00 0.62 H new ATOM 0 HE1 PHE A 44 -1.775 1.914 9.475 1.00 0.56 H new ATOM 0 HE2 PHE A 44 -2.879 1.470 5.384 1.00 0.77 H new ATOM 0 HZ PHE A 44 -1.453 2.498 7.105 1.00 0.70 H new ATOM 703 N TYR A 45 -3.240 -3.299 6.924 1.00 0.29 N ATOM 704 CA TYR A 45 -2.759 -3.797 5.644 1.00 0.28 C ATOM 705 C TYR A 45 -3.366 -5.144 5.275 1.00 0.30 C ATOM 706 O TYR A 45 -2.662 -6.150 5.234 1.00 0.37 O ATOM 707 CB TYR A 45 -1.237 -3.941 5.724 1.00 0.34 C ATOM 708 CG TYR A 45 -0.505 -3.591 4.455 1.00 0.42 C ATOM 709 CD1 TYR A 45 -0.913 -2.521 3.674 1.00 0.47 C ATOM 710 CD2 TYR A 45 0.608 -4.315 4.052 1.00 0.55 C ATOM 711 CE1 TYR A 45 -0.238 -2.184 2.519 1.00 0.61 C ATOM 712 CE2 TYR A 45 1.295 -3.982 2.902 1.00 0.68 C ATOM 713 CZ TYR A 45 0.869 -2.915 2.137 1.00 0.68 C ATOM 714 OH TYR A 45 1.553 -2.574 0.992 1.00 0.85 O ATOM 0 H TYR A 45 -2.512 -3.249 7.637 1.00 0.29 H new ATOM 0 HA TYR A 45 -3.055 -3.086 4.873 1.00 0.28 H new ATOM 0 HB2 TYR A 45 -0.867 -3.305 6.528 1.00 0.34 H new ATOM 0 HB3 TYR A 45 -0.996 -4.969 5.995 1.00 0.34 H new ATOM 0 HD1 TYR A 45 -1.773 -1.942 3.975 1.00 0.47 H new ATOM 0 HD2 TYR A 45 0.942 -5.152 4.647 1.00 0.55 H new ATOM 0 HE1 TYR A 45 -0.574 -1.353 1.917 1.00 0.61 H new ATOM 0 HE2 TYR A 45 2.161 -4.553 2.602 1.00 0.68 H new ATOM 0 HH TYR A 45 2.307 -3.187 0.866 1.00 0.85 H new ATOM 724 N HIS A 46 -4.666 -5.141 5.005 1.00 0.28 N ATOM 725 CA HIS A 46 -5.381 -6.316 4.491 1.00 0.31 C ATOM 726 C HIS A 46 -5.523 -7.368 5.589 1.00 0.37 C ATOM 727 O HIS A 46 -4.538 -7.912 6.057 1.00 0.57 O ATOM 728 CB HIS A 46 -4.653 -6.925 3.274 1.00 0.37 C ATOM 729 CG HIS A 46 -3.956 -5.917 2.410 1.00 0.35 C ATOM 730 ND1 HIS A 46 -2.585 -5.823 2.335 1.00 0.39 N ATOM 731 CD2 HIS A 46 -4.438 -4.913 1.649 1.00 0.44 C ATOM 732 CE1 HIS A 46 -2.260 -4.801 1.569 1.00 0.36 C ATOM 733 NE2 HIS A 46 -3.363 -4.230 1.138 1.00 0.43 N ATOM 0 H HIS A 46 -5.261 -4.323 5.135 1.00 0.28 H new ATOM 0 HA HIS A 46 -6.371 -5.992 4.170 1.00 0.31 H new ATOM 0 HB2 HIS A 46 -3.922 -7.652 3.628 1.00 0.37 H new ATOM 0 HB3 HIS A 46 -5.376 -7.470 2.667 1.00 0.37 H new ATOM 0 HD2 HIS A 46 -5.480 -4.688 1.474 1.00 0.44 H new ATOM 0 HE1 HIS A 46 -1.254 -4.485 1.334 1.00 0.36 H new ATOM 0 HE2 HIS A 46 -3.412 -3.415 0.526 1.00 0.43 H new ATOM 742 N ALA A 47 -6.746 -7.656 6.005 1.00 0.39 N ATOM 743 CA ALA A 47 -6.946 -8.597 7.104 1.00 0.44 C ATOM 744 C ALA A 47 -6.564 -10.021 6.699 1.00 0.44 C ATOM 745 O ALA A 47 -5.629 -10.603 7.249 1.00 0.48 O ATOM 746 CB ALA A 47 -8.388 -8.554 7.578 1.00 0.57 C ATOM 0 H ALA A 47 -7.601 -7.263 5.611 1.00 0.39 H new ATOM 0 HA ALA A 47 -6.292 -8.297 7.923 1.00 0.44 H new ATOM 0 HB1 ALA A 47 -8.523 -9.260 8.397 1.00 0.57 H new ATOM 0 HB2 ALA A 47 -8.628 -7.548 7.923 1.00 0.57 H new ATOM 0 HB3 ALA A 47 -9.050 -8.823 6.755 1.00 0.57 H new ATOM 752 N LEU A 48 -7.270 -10.573 5.723 1.00 0.48 N ATOM 753 CA LEU A 48 -6.971 -11.917 5.236 1.00 0.53 C ATOM 754 C LEU A 48 -6.010 -11.887 4.056 1.00 0.48 C ATOM 755 O LEU A 48 -5.382 -12.894 3.732 1.00 0.52 O ATOM 756 CB LEU A 48 -8.253 -12.670 4.852 1.00 0.67 C ATOM 757 CG LEU A 48 -9.107 -12.050 3.735 1.00 0.76 C ATOM 758 CD1 LEU A 48 -10.089 -13.079 3.197 1.00 1.20 C ATOM 759 CD2 LEU A 48 -9.868 -10.831 4.243 1.00 0.99 C ATOM 0 H LEU A 48 -8.051 -10.116 5.253 1.00 0.48 H new ATOM 0 HA LEU A 48 -6.488 -12.449 6.055 1.00 0.53 H new ATOM 0 HB2 LEU A 48 -7.977 -13.680 4.549 1.00 0.67 H new ATOM 0 HB3 LEU A 48 -8.873 -12.763 5.743 1.00 0.67 H new ATOM 0 HG LEU A 48 -8.439 -11.732 2.934 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.690 -12.630 2.406 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -9.540 -13.931 2.796 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -10.742 -13.414 4.002 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -10.465 -10.411 3.433 1.00 0.99 H new ATOM 0 HD22 LEU A 48 -10.524 -11.127 5.061 1.00 0.99 H new ATOM 0 HD23 LEU A 48 -9.160 -10.082 4.598 1.00 0.99 H new ATOM 771 N ASP A 49 -5.878 -10.729 3.428 1.00 0.45 N ATOM 772 CA ASP A 49 -5.068 -10.609 2.220 1.00 0.45 C ATOM 773 C ASP A 49 -3.690 -10.043 2.545 1.00 0.41 C ATOM 774 O ASP A 49 -2.924 -9.682 1.647 1.00 0.49 O ATOM 775 CB ASP A 49 -5.766 -9.709 1.197 1.00 0.55 C ATOM 776 CG ASP A 49 -7.088 -10.275 0.727 1.00 0.91 C ATOM 777 OD1 ASP A 49 -8.118 -9.979 1.364 1.00 1.64 O ATOM 778 OD2 ASP A 49 -7.102 -11.005 -0.282 1.00 1.07 O ATOM 0 H ASP A 49 -6.318 -9.860 3.731 1.00 0.45 H new ATOM 0 HA ASP A 49 -4.946 -11.606 1.796 1.00 0.45 H new ATOM 0 HB2 ASP A 49 -5.932 -8.726 1.638 1.00 0.55 H new ATOM 0 HB3 ASP A 49 -5.111 -9.566 0.338 1.00 0.55 H new ATOM 783 N SER A 50 -3.385 -9.944 3.834 1.00 0.36 N ATOM 784 CA SER A 50 -2.083 -9.455 4.277 1.00 0.35 C ATOM 785 C SER A 50 -0.974 -10.390 3.818 1.00 0.35 C ATOM 786 O SER A 50 0.028 -9.942 3.268 1.00 0.41 O ATOM 787 CB SER A 50 -2.033 -9.324 5.803 1.00 0.37 C ATOM 788 OG SER A 50 -0.825 -8.718 6.228 1.00 1.25 O ATOM 0 H SER A 50 -4.021 -10.196 4.591 1.00 0.36 H new ATOM 0 HA SER A 50 -1.934 -8.471 3.832 1.00 0.35 H new ATOM 0 HB2 SER A 50 -2.881 -8.731 6.147 1.00 0.37 H new ATOM 0 HB3 SER A 50 -2.128 -10.310 6.258 1.00 0.37 H new ATOM 0 HG SER A 50 -0.821 -8.646 7.205 1.00 1.25 H new ATOM 794 N GLU A 51 -1.178 -11.691 4.025 1.00 0.38 N ATOM 795 CA GLU A 51 -0.162 -12.698 3.727 1.00 0.45 C ATOM 796 C GLU A 51 0.329 -12.581 2.290 1.00 0.43 C ATOM 797 O GLU A 51 1.520 -12.716 2.021 1.00 0.47 O ATOM 798 CB GLU A 51 -0.715 -14.102 3.975 1.00 0.55 C ATOM 799 CG GLU A 51 -1.250 -14.302 5.382 1.00 1.32 C ATOM 800 CD GLU A 51 -0.231 -13.958 6.447 1.00 1.99 C ATOM 801 OE1 GLU A 51 0.618 -14.816 6.766 1.00 2.49 O ATOM 802 OE2 GLU A 51 -0.275 -12.830 6.976 1.00 2.68 O ATOM 0 H GLU A 51 -2.046 -12.074 4.401 1.00 0.38 H new ATOM 0 HA GLU A 51 0.684 -12.523 4.392 1.00 0.45 H new ATOM 0 HB2 GLU A 51 -1.513 -14.301 3.260 1.00 0.55 H new ATOM 0 HB3 GLU A 51 0.072 -14.832 3.787 1.00 0.55 H new ATOM 0 HG2 GLU A 51 -2.137 -13.684 5.520 1.00 1.32 H new ATOM 0 HG3 GLU A 51 -1.562 -15.339 5.504 1.00 1.32 H new ATOM 809 N ASN A 52 -0.597 -12.311 1.379 1.00 0.43 N ATOM 810 CA ASN A 52 -0.271 -12.149 -0.033 1.00 0.48 C ATOM 811 C ASN A 52 0.699 -10.988 -0.228 1.00 0.41 C ATOM 812 O ASN A 52 1.657 -11.074 -0.994 1.00 0.44 O ATOM 813 CB ASN A 52 -1.544 -11.901 -0.845 1.00 0.56 C ATOM 814 CG ASN A 52 -2.613 -12.946 -0.589 1.00 1.11 C ATOM 815 OD1 ASN A 52 -3.455 -12.781 0.293 1.00 1.96 O ATOM 816 ND2 ASN A 52 -2.582 -14.033 -1.344 1.00 1.31 N ATOM 0 H ASN A 52 -1.588 -12.199 1.595 1.00 0.43 H new ATOM 0 HA ASN A 52 0.203 -13.066 -0.383 1.00 0.48 H new ATOM 0 HB2 ASN A 52 -1.939 -10.915 -0.601 1.00 0.56 H new ATOM 0 HB3 ASN A 52 -1.297 -11.892 -1.907 1.00 0.56 H new ATOM 0 HD21 ASN A 52 -3.272 -14.771 -1.204 1.00 1.31 H new ATOM 0 HD22 ASN A 52 -1.868 -14.133 -2.065 1.00 1.31 H new ATOM 823 N MET A 53 0.459 -9.907 0.493 1.00 0.35 N ATOM 824 CA MET A 53 1.308 -8.731 0.399 1.00 0.35 C ATOM 825 C MET A 53 2.572 -8.907 1.228 1.00 0.34 C ATOM 826 O MET A 53 3.581 -8.252 0.979 1.00 0.35 O ATOM 827 CB MET A 53 0.547 -7.481 0.825 1.00 0.42 C ATOM 828 CG MET A 53 -0.559 -7.100 -0.144 1.00 0.96 C ATOM 829 SD MET A 53 0.056 -6.760 -1.807 1.00 1.28 S ATOM 830 CE MET A 53 1.142 -5.370 -1.491 1.00 0.79 C ATOM 0 H MET A 53 -0.316 -9.818 1.150 1.00 0.35 H new ATOM 0 HA MET A 53 1.604 -8.608 -0.643 1.00 0.35 H new ATOM 0 HB2 MET A 53 0.117 -7.644 1.813 1.00 0.42 H new ATOM 0 HB3 MET A 53 1.246 -6.650 0.915 1.00 0.42 H new ATOM 0 HG2 MET A 53 -1.290 -7.907 -0.190 1.00 0.96 H new ATOM 0 HG3 MET A 53 -1.079 -6.220 0.233 1.00 0.96 H new ATOM 0 HE1 MET A 53 1.374 -4.868 -2.431 1.00 0.79 H new ATOM 0 HE2 MET A 53 0.649 -4.669 -0.817 1.00 0.79 H new ATOM 0 HE3 MET A 53 2.065 -5.726 -1.033 1.00 0.79 H new ATOM 840 N THR A 54 2.518 -9.790 2.214 1.00 0.37 N ATOM 841 CA THR A 54 3.714 -10.180 2.937 1.00 0.45 C ATOM 842 C THR A 54 4.645 -10.948 1.998 1.00 0.45 C ATOM 843 O THR A 54 5.863 -10.768 2.029 1.00 0.48 O ATOM 844 CB THR A 54 3.373 -11.032 4.173 1.00 0.55 C ATOM 845 OG1 THR A 54 2.456 -10.318 5.013 1.00 0.57 O ATOM 846 CG2 THR A 54 4.625 -11.371 4.968 1.00 0.72 C ATOM 0 H THR A 54 1.662 -10.247 2.529 1.00 0.37 H new ATOM 0 HA THR A 54 4.214 -9.279 3.291 1.00 0.45 H new ATOM 0 HB THR A 54 2.919 -11.962 3.830 1.00 0.55 H new ATOM 0 HG1 THR A 54 1.609 -10.190 4.538 1.00 0.57 H new ATOM 0 HG21 THR A 54 4.354 -11.973 5.835 1.00 0.72 H new ATOM 0 HG22 THR A 54 5.315 -11.932 4.338 1.00 0.72 H new ATOM 0 HG23 THR A 54 5.105 -10.451 5.301 1.00 0.72 H new ATOM 854 N LYS A 55 4.055 -11.793 1.152 1.00 0.46 N ATOM 855 CA LYS A 55 4.796 -12.454 0.080 1.00 0.52 C ATOM 856 C LYS A 55 5.388 -11.402 -0.837 1.00 0.41 C ATOM 857 O LYS A 55 6.541 -11.496 -1.247 1.00 0.42 O ATOM 858 CB LYS A 55 3.884 -13.376 -0.734 1.00 0.67 C ATOM 859 CG LYS A 55 3.117 -14.377 0.107 1.00 0.95 C ATOM 860 CD LYS A 55 4.052 -15.315 0.842 1.00 1.14 C ATOM 861 CE LYS A 55 3.319 -16.088 1.925 1.00 1.37 C ATOM 862 NZ LYS A 55 2.206 -16.911 1.375 1.00 1.49 N ATOM 0 H LYS A 55 3.065 -12.035 1.189 1.00 0.46 H new ATOM 0 HA LYS A 55 5.586 -13.058 0.527 1.00 0.52 H new ATOM 0 HB2 LYS A 55 3.174 -12.767 -1.294 1.00 0.67 H new ATOM 0 HB3 LYS A 55 4.487 -13.916 -1.464 1.00 0.67 H new ATOM 0 HG2 LYS A 55 2.492 -13.847 0.826 1.00 0.95 H new ATOM 0 HG3 LYS A 55 2.449 -14.954 -0.532 1.00 0.95 H new ATOM 0 HD2 LYS A 55 4.501 -16.013 0.135 1.00 1.14 H new ATOM 0 HD3 LYS A 55 4.867 -14.744 1.288 1.00 1.14 H new ATOM 0 HE2 LYS A 55 4.024 -16.736 2.447 1.00 1.37 H new ATOM 0 HE3 LYS A 55 2.922 -15.390 2.662 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 1.812 -17.510 2.129 1.00 1.49 H new ATOM 0 HZ2 LYS A 55 1.462 -16.286 1.005 1.00 1.49 H new ATOM 0 HZ3 LYS A 55 2.566 -17.513 0.607 1.00 1.49 H new ATOM 876 N SER A 56 4.584 -10.392 -1.138 1.00 0.36 N ATOM 877 CA SER A 56 5.021 -9.282 -1.958 1.00 0.34 C ATOM 878 C SER A 56 6.197 -8.561 -1.298 1.00 0.28 C ATOM 879 O SER A 56 7.144 -8.174 -1.969 1.00 0.28 O ATOM 880 CB SER A 56 3.860 -8.311 -2.198 1.00 0.39 C ATOM 881 OG SER A 56 4.212 -7.292 -3.117 1.00 1.26 O ATOM 0 H SER A 56 3.617 -10.323 -0.821 1.00 0.36 H new ATOM 0 HA SER A 56 5.353 -9.669 -2.921 1.00 0.34 H new ATOM 0 HB2 SER A 56 2.998 -8.861 -2.576 1.00 0.39 H new ATOM 0 HB3 SER A 56 3.561 -7.860 -1.252 1.00 0.39 H new ATOM 0 HG SER A 56 3.449 -6.692 -3.248 1.00 1.26 H new ATOM 887 N HIS A 57 6.144 -8.408 0.022 1.00 0.29 N ATOM 888 CA HIS A 57 7.237 -7.786 0.764 1.00 0.30 C ATOM 889 C HIS A 57 8.502 -8.638 0.658 1.00 0.31 C ATOM 890 O HIS A 57 9.601 -8.108 0.529 1.00 0.34 O ATOM 891 CB HIS A 57 6.848 -7.580 2.235 1.00 0.35 C ATOM 892 CG HIS A 57 7.838 -6.780 3.035 1.00 0.36 C ATOM 893 ND1 HIS A 57 8.034 -6.968 4.386 1.00 0.53 N ATOM 894 CD2 HIS A 57 8.668 -5.766 2.680 1.00 0.34 C ATOM 895 CE1 HIS A 57 8.933 -6.107 4.827 1.00 0.51 C ATOM 896 NE2 HIS A 57 9.335 -5.366 3.813 1.00 0.39 N ATOM 0 H HIS A 57 5.357 -8.705 0.599 1.00 0.29 H new ATOM 0 HA HIS A 57 7.438 -6.808 0.326 1.00 0.30 H new ATOM 0 HB2 HIS A 57 5.880 -7.081 2.275 1.00 0.35 H new ATOM 0 HB3 HIS A 57 6.724 -8.556 2.705 1.00 0.35 H new ATOM 0 HD2 HIS A 57 8.783 -5.350 1.690 1.00 0.34 H new ATOM 0 HE1 HIS A 57 9.280 -6.024 5.846 1.00 0.51 H new ATOM 0 HE2 HIS A 57 10.027 -4.619 3.862 1.00 0.39 H new ATOM 905 N GLN A 58 8.334 -9.959 0.699 1.00 0.32 N ATOM 906 CA GLN A 58 9.460 -10.887 0.568 1.00 0.37 C ATOM 907 C GLN A 58 9.991 -10.901 -0.862 1.00 0.33 C ATOM 908 O GLN A 58 11.172 -11.150 -1.100 1.00 0.37 O ATOM 909 CB GLN A 58 9.035 -12.304 0.949 1.00 0.46 C ATOM 910 CG GLN A 58 8.452 -12.426 2.343 1.00 1.24 C ATOM 911 CD GLN A 58 8.132 -13.863 2.703 1.00 1.77 C ATOM 912 OE1 GLN A 58 8.799 -14.792 2.249 1.00 2.36 O ATOM 913 NE2 GLN A 58 7.115 -14.061 3.520 1.00 2.26 N ATOM 0 H GLN A 58 7.429 -10.413 0.822 1.00 0.32 H new ATOM 0 HA GLN A 58 10.246 -10.546 1.241 1.00 0.37 H new ATOM 0 HB2 GLN A 58 8.298 -12.656 0.227 1.00 0.46 H new ATOM 0 HB3 GLN A 58 9.899 -12.964 0.870 1.00 0.46 H new ATOM 0 HG2 GLN A 58 9.158 -12.020 3.068 1.00 1.24 H new ATOM 0 HG3 GLN A 58 7.545 -11.825 2.410 1.00 1.24 H new ATOM 0 HE21 GLN A 58 6.585 -13.266 3.876 1.00 2.26 H new ATOM 0 HE22 GLN A 58 6.859 -15.009 3.795 1.00 2.26 H new ATOM 922 N ASN A 59 9.107 -10.623 -1.802 1.00 0.28 N ATOM 923 CA ASN A 59 9.440 -10.671 -3.218 1.00 0.28 C ATOM 924 C ASN A 59 10.076 -9.359 -3.646 1.00 0.29 C ATOM 925 O ASN A 59 11.145 -9.326 -4.247 1.00 0.34 O ATOM 926 CB ASN A 59 8.180 -10.945 -4.044 1.00 0.30 C ATOM 927 CG ASN A 59 8.427 -10.864 -5.541 1.00 0.38 C ATOM 928 OD1 ASN A 59 8.838 -11.837 -6.168 1.00 0.64 O ATOM 929 ND2 ASN A 59 8.164 -9.703 -6.128 1.00 0.83 N ATOM 0 H ASN A 59 8.141 -10.358 -1.609 1.00 0.28 H new ATOM 0 HA ASN A 59 10.152 -11.478 -3.389 1.00 0.28 H new ATOM 0 HB2 ASN A 59 7.797 -11.935 -3.797 1.00 0.30 H new ATOM 0 HB3 ASN A 59 7.408 -10.227 -3.769 1.00 0.30 H new ATOM 0 HD21 ASN A 59 8.302 -9.597 -7.133 1.00 0.83 H new ATOM 0 HD22 ASN A 59 7.824 -8.917 -5.574 1.00 0.83 H new ATOM 936 N LEU A 60 9.420 -8.276 -3.269 1.00 0.27 N ATOM 937 CA LEU A 60 9.811 -6.936 -3.665 1.00 0.28 C ATOM 938 C LEU A 60 11.130 -6.552 -3.005 1.00 0.34 C ATOM 939 O LEU A 60 11.876 -5.717 -3.514 1.00 0.43 O ATOM 940 CB LEU A 60 8.693 -5.963 -3.274 1.00 0.25 C ATOM 941 CG LEU A 60 8.937 -4.492 -3.591 1.00 0.26 C ATOM 942 CD1 LEU A 60 9.223 -4.301 -5.066 1.00 0.29 C ATOM 943 CD2 LEU A 60 7.743 -3.651 -3.161 1.00 0.33 C ATOM 0 H LEU A 60 8.593 -8.303 -2.673 1.00 0.27 H new ATOM 0 HA LEU A 60 9.961 -6.895 -4.744 1.00 0.28 H new ATOM 0 HB2 LEU A 60 7.777 -6.274 -3.777 1.00 0.25 H new ATOM 0 HB3 LEU A 60 8.516 -6.057 -2.203 1.00 0.25 H new ATOM 0 HG LEU A 60 9.812 -4.160 -3.031 1.00 0.26 H new ATOM 0 HD11 LEU A 60 9.394 -3.244 -5.270 1.00 0.29 H new ATOM 0 HD12 LEU A 60 10.110 -4.872 -5.342 1.00 0.29 H new ATOM 0 HD13 LEU A 60 8.371 -4.650 -5.650 1.00 0.29 H new ATOM 0 HD21 LEU A 60 7.933 -2.603 -3.394 1.00 0.33 H new ATOM 0 HD22 LEU A 60 6.852 -3.985 -3.693 1.00 0.33 H new ATOM 0 HD23 LEU A 60 7.588 -3.761 -2.088 1.00 0.33 H new ATOM 955 N CYS A 61 11.413 -7.198 -1.881 1.00 0.36 N ATOM 956 CA CYS A 61 12.608 -6.924 -1.095 1.00 0.48 C ATOM 957 C CYS A 61 13.889 -7.211 -1.880 1.00 0.58 C ATOM 958 O CYS A 61 14.948 -6.677 -1.548 1.00 0.92 O ATOM 959 CB CYS A 61 12.596 -7.739 0.199 1.00 0.54 C ATOM 960 SG CYS A 61 13.937 -7.334 1.341 1.00 1.20 S ATOM 0 H CYS A 61 10.819 -7.928 -1.488 1.00 0.36 H new ATOM 0 HA CYS A 61 12.597 -5.861 -0.853 1.00 0.48 H new ATOM 0 HB2 CYS A 61 11.643 -7.583 0.705 1.00 0.54 H new ATOM 0 HB3 CYS A 61 12.654 -8.798 -0.051 1.00 0.54 H new ATOM 0 HG CYS A 61 14.949 -6.864 0.673 1.00 1.20 H new ATOM 966 N THR A 62 13.808 -8.048 -2.914 1.00 0.54 N ATOM 967 CA THR A 62 15.001 -8.409 -3.673 1.00 0.76 C ATOM 968 C THR A 62 14.683 -8.590 -5.154 1.00 0.60 C ATOM 969 O THR A 62 15.506 -9.060 -5.938 1.00 0.82 O ATOM 970 CB THR A 62 15.647 -9.696 -3.107 1.00 1.11 C ATOM 971 OG1 THR A 62 15.632 -9.647 -1.675 1.00 1.27 O ATOM 972 CG2 THR A 62 17.087 -9.852 -3.580 1.00 1.45 C ATOM 0 H THR A 62 12.944 -8.481 -3.240 1.00 0.54 H new ATOM 0 HA THR A 62 15.711 -7.588 -3.574 1.00 0.76 H new ATOM 0 HB THR A 62 15.070 -10.548 -3.467 1.00 1.11 H new ATOM 0 HG1 THR A 62 16.040 -10.462 -1.315 1.00 1.27 H new ATOM 0 HG21 THR A 62 17.510 -10.766 -3.163 1.00 1.45 H new ATOM 0 HG22 THR A 62 17.109 -9.905 -4.668 1.00 1.45 H new ATOM 0 HG23 THR A 62 17.674 -8.996 -3.247 1.00 1.45 H new ATOM 980 N LYS A 63 13.491 -8.190 -5.543 1.00 0.50 N ATOM 981 CA LYS A 63 13.158 -8.121 -6.947 1.00 0.43 C ATOM 982 C LYS A 63 13.274 -6.692 -7.460 1.00 0.39 C ATOM 983 O LYS A 63 13.438 -6.466 -8.658 1.00 0.39 O ATOM 984 CB LYS A 63 11.758 -8.648 -7.191 1.00 0.45 C ATOM 985 CG LYS A 63 11.670 -10.164 -7.262 1.00 0.54 C ATOM 986 CD LYS A 63 12.426 -10.706 -8.463 1.00 0.68 C ATOM 987 CE LYS A 63 12.276 -12.213 -8.583 1.00 0.85 C ATOM 988 NZ LYS A 63 12.935 -12.738 -9.807 1.00 1.76 N ATOM 0 H LYS A 63 12.742 -7.910 -4.910 1.00 0.50 H new ATOM 0 HA LYS A 63 13.867 -8.745 -7.492 1.00 0.43 H new ATOM 0 HB2 LYS A 63 11.104 -8.294 -6.394 1.00 0.45 H new ATOM 0 HB3 LYS A 63 11.381 -8.229 -8.124 1.00 0.45 H new ATOM 0 HG2 LYS A 63 12.077 -10.597 -6.348 1.00 0.54 H new ATOM 0 HG3 LYS A 63 10.625 -10.467 -7.321 1.00 0.54 H new ATOM 0 HD2 LYS A 63 12.057 -10.229 -9.371 1.00 0.68 H new ATOM 0 HD3 LYS A 63 13.482 -10.450 -8.375 1.00 0.68 H new ATOM 0 HE2 LYS A 63 12.707 -12.692 -7.704 1.00 0.85 H new ATOM 0 HE3 LYS A 63 11.218 -12.473 -8.600 1.00 0.85 H new ATOM 0 HZ1 LYS A 63 12.811 -13.770 -9.853 1.00 1.76 H new ATOM 0 HZ2 LYS A 63 12.506 -12.300 -10.647 1.00 1.76 H new ATOM 0 HZ3 LYS A 63 13.950 -12.513 -9.779 1.00 1.76 H new ATOM 1002 N GLY A 64 13.188 -5.723 -6.551 1.00 0.40 N ATOM 1003 CA GLY A 64 13.262 -4.323 -6.939 1.00 0.42 C ATOM 1004 C GLY A 64 11.981 -3.814 -7.578 1.00 0.37 C ATOM 1005 O GLY A 64 11.817 -2.614 -7.781 1.00 0.41 O ATOM 0 H GLY A 64 13.068 -5.883 -5.551 1.00 0.40 H new ATOM 0 HA2 GLY A 64 13.487 -3.720 -6.060 1.00 0.42 H new ATOM 0 HA3 GLY A 64 14.088 -4.189 -7.638 1.00 0.42 H new ATOM 1009 N GLN A 65 11.063 -4.726 -7.861 1.00 0.34 N ATOM 1010 CA GLN A 65 9.818 -4.400 -8.546 1.00 0.33 C ATOM 1011 C GLN A 65 8.857 -5.578 -8.430 1.00 0.34 C ATOM 1012 O GLN A 65 9.285 -6.732 -8.388 1.00 0.43 O ATOM 1013 CB GLN A 65 10.081 -4.063 -10.020 1.00 0.41 C ATOM 1014 CG GLN A 65 8.854 -3.551 -10.762 1.00 0.49 C ATOM 1015 CD GLN A 65 9.153 -3.175 -12.201 1.00 0.81 C ATOM 1016 OE1 GLN A 65 10.048 -3.739 -12.832 1.00 1.37 O ATOM 1017 NE2 GLN A 65 8.401 -2.226 -12.734 1.00 1.32 N ATOM 0 H GLN A 65 11.159 -5.713 -7.623 1.00 0.34 H new ATOM 0 HA GLN A 65 9.372 -3.523 -8.078 1.00 0.33 H new ATOM 0 HB2 GLN A 65 10.868 -3.311 -10.076 1.00 0.41 H new ATOM 0 HB3 GLN A 65 10.454 -4.954 -10.526 1.00 0.41 H new ATOM 0 HG2 GLN A 65 8.079 -4.317 -10.745 1.00 0.49 H new ATOM 0 HG3 GLN A 65 8.455 -2.682 -10.239 1.00 0.49 H new ATOM 0 HE21 GLN A 65 7.669 -1.783 -12.178 1.00 1.32 H new ATOM 0 HE22 GLN A 65 8.553 -1.938 -13.701 1.00 1.32 H new ATOM 1026 N VAL A 66 7.570 -5.285 -8.357 1.00 0.32 N ATOM 1027 CA VAL A 66 6.559 -6.306 -8.144 1.00 0.35 C ATOM 1028 C VAL A 66 5.215 -5.842 -8.695 1.00 0.33 C ATOM 1029 O VAL A 66 4.899 -4.654 -8.649 1.00 0.32 O ATOM 1030 CB VAL A 66 6.422 -6.630 -6.635 1.00 0.36 C ATOM 1031 CG1 VAL A 66 6.063 -5.390 -5.842 1.00 0.31 C ATOM 1032 CG2 VAL A 66 5.386 -7.701 -6.387 1.00 0.44 C ATOM 0 H VAL A 66 7.198 -4.339 -8.443 1.00 0.32 H new ATOM 0 HA VAL A 66 6.869 -7.209 -8.671 1.00 0.35 H new ATOM 0 HB VAL A 66 7.392 -7.000 -6.302 1.00 0.36 H new ATOM 0 HG11 VAL A 66 5.973 -5.647 -4.786 1.00 0.31 H new ATOM 0 HG12 VAL A 66 6.843 -4.639 -5.968 1.00 0.31 H new ATOM 0 HG13 VAL A 66 5.114 -4.991 -6.200 1.00 0.31 H new ATOM 0 HG21 VAL A 66 5.318 -7.901 -5.318 1.00 0.44 H new ATOM 0 HG22 VAL A 66 4.417 -7.362 -6.755 1.00 0.44 H new ATOM 0 HG23 VAL A 66 5.674 -8.613 -6.909 1.00 0.44 H new ATOM 1042 N VAL A 67 4.429 -6.767 -9.226 1.00 0.39 N ATOM 1043 CA VAL A 67 3.095 -6.429 -9.689 1.00 0.45 C ATOM 1044 C VAL A 67 2.073 -7.332 -9.010 1.00 0.49 C ATOM 1045 O VAL A 67 1.778 -8.434 -9.479 1.00 0.92 O ATOM 1046 CB VAL A 67 2.956 -6.541 -11.225 1.00 0.58 C ATOM 1047 CG1 VAL A 67 1.618 -5.985 -11.680 1.00 0.91 C ATOM 1048 CG2 VAL A 67 4.095 -5.817 -11.929 1.00 1.16 C ATOM 0 H VAL A 67 4.689 -7.746 -9.345 1.00 0.39 H new ATOM 0 HA VAL A 67 2.912 -5.388 -9.424 1.00 0.45 H new ATOM 0 HB VAL A 67 3.006 -7.597 -11.492 1.00 0.58 H new ATOM 0 HG11 VAL A 67 1.537 -6.072 -12.764 1.00 0.91 H new ATOM 0 HG12 VAL A 67 0.811 -6.548 -11.210 1.00 0.91 H new ATOM 0 HG13 VAL A 67 1.544 -4.936 -11.394 1.00 0.91 H new ATOM 0 HG21 VAL A 67 3.974 -5.911 -13.008 1.00 1.16 H new ATOM 0 HG22 VAL A 67 4.082 -4.763 -11.653 1.00 1.16 H new ATOM 0 HG23 VAL A 67 5.046 -6.258 -11.631 1.00 1.16 H new ATOM 1058 N SER A 68 1.567 -6.853 -7.882 1.00 0.52 N ATOM 1059 CA SER A 68 0.578 -7.582 -7.101 1.00 0.54 C ATOM 1060 C SER A 68 -0.792 -7.504 -7.779 1.00 0.53 C ATOM 1061 O SER A 68 -0.938 -6.867 -8.825 1.00 0.94 O ATOM 1062 CB SER A 68 0.512 -7.010 -5.677 1.00 0.58 C ATOM 1063 OG SER A 68 -0.241 -7.846 -4.815 1.00 1.39 O ATOM 0 H SER A 68 1.829 -5.951 -7.484 1.00 0.52 H new ATOM 0 HA SER A 68 0.871 -8.630 -7.042 1.00 0.54 H new ATOM 0 HB2 SER A 68 1.522 -6.895 -5.283 1.00 0.58 H new ATOM 0 HB3 SER A 68 0.065 -6.016 -5.703 1.00 0.58 H new ATOM 0 HG SER A 68 -0.157 -7.526 -3.893 1.00 1.39 H new ATOM 1069 N GLY A 69 -1.789 -8.144 -7.186 1.00 0.46 N ATOM 1070 CA GLY A 69 -3.120 -8.112 -7.712 1.00 0.43 C ATOM 1071 C GLY A 69 -4.059 -7.583 -6.667 1.00 0.38 C ATOM 1072 O GLY A 69 -3.639 -7.321 -5.542 1.00 0.42 O ATOM 0 H GLY A 69 -1.686 -8.693 -6.333 1.00 0.46 H new ATOM 0 HA2 GLY A 69 -3.156 -7.482 -8.601 1.00 0.43 H new ATOM 0 HA3 GLY A 69 -3.426 -9.113 -8.018 1.00 0.43 H new ATOM 1076 N GLN A 70 -5.305 -7.408 -7.034 1.00 0.39 N ATOM 1077 CA GLN A 70 -6.298 -6.879 -6.138 1.00 0.43 C ATOM 1078 C GLN A 70 -6.378 -7.653 -4.817 1.00 0.35 C ATOM 1079 O GLN A 70 -6.523 -8.877 -4.783 1.00 0.36 O ATOM 1080 CB GLN A 70 -7.623 -6.841 -6.875 1.00 0.62 C ATOM 1081 CG GLN A 70 -8.138 -8.200 -7.312 1.00 0.78 C ATOM 1082 CD GLN A 70 -9.433 -8.125 -8.103 1.00 0.78 C ATOM 1083 OE1 GLN A 70 -10.270 -9.022 -8.023 1.00 1.14 O ATOM 1084 NE2 GLN A 70 -9.599 -7.078 -8.896 1.00 1.31 N ATOM 0 H GLN A 70 -5.658 -7.630 -7.965 1.00 0.39 H new ATOM 0 HA GLN A 70 -6.017 -5.868 -5.843 1.00 0.43 H new ATOM 0 HB2 GLN A 70 -8.369 -6.373 -6.232 1.00 0.62 H new ATOM 0 HB3 GLN A 70 -7.517 -6.206 -7.755 1.00 0.62 H new ATOM 0 HG2 GLN A 70 -7.377 -8.691 -7.919 1.00 0.78 H new ATOM 0 HG3 GLN A 70 -8.294 -8.822 -6.431 1.00 0.78 H new ATOM 0 HE21 GLN A 70 -8.884 -6.352 -8.938 1.00 1.31 H new ATOM 0 HE22 GLN A 70 -10.442 -6.998 -9.465 1.00 1.31 H new ATOM 1093 N TYR A 71 -6.217 -6.891 -3.747 1.00 0.35 N ATOM 1094 CA TYR A 71 -6.288 -7.367 -2.375 1.00 0.36 C ATOM 1095 C TYR A 71 -7.319 -6.542 -1.616 1.00 0.32 C ATOM 1096 O TYR A 71 -7.753 -5.502 -2.108 1.00 0.29 O ATOM 1097 CB TYR A 71 -4.911 -7.201 -1.715 1.00 0.38 C ATOM 1098 CG TYR A 71 -4.250 -5.882 -2.072 1.00 0.38 C ATOM 1099 CD1 TYR A 71 -4.728 -4.675 -1.571 1.00 0.38 C ATOM 1100 CD2 TYR A 71 -3.176 -5.842 -2.948 1.00 0.51 C ATOM 1101 CE1 TYR A 71 -4.148 -3.472 -1.928 1.00 0.42 C ATOM 1102 CE2 TYR A 71 -2.601 -4.644 -3.318 1.00 0.62 C ATOM 1103 CZ TYR A 71 -3.089 -3.462 -2.805 1.00 0.54 C ATOM 1104 OH TYR A 71 -2.532 -2.262 -3.202 1.00 0.68 O ATOM 0 H TYR A 71 -6.027 -5.891 -3.812 1.00 0.35 H new ATOM 0 HA TYR A 71 -6.577 -8.418 -2.358 1.00 0.36 H new ATOM 0 HB2 TYR A 71 -5.020 -7.268 -0.633 1.00 0.38 H new ATOM 0 HB3 TYR A 71 -4.264 -8.023 -2.021 1.00 0.38 H new ATOM 0 HD1 TYR A 71 -5.567 -4.678 -0.891 1.00 0.38 H new ATOM 0 HD2 TYR A 71 -2.783 -6.765 -3.348 1.00 0.51 H new ATOM 0 HE1 TYR A 71 -4.524 -2.545 -1.520 1.00 0.42 H new ATOM 0 HE2 TYR A 71 -1.770 -4.633 -4.008 1.00 0.62 H new ATOM 0 HH TYR A 71 -2.660 -1.593 -2.497 1.00 0.68 H new ATOM 1114 N ARG A 72 -7.693 -6.971 -0.423 1.00 0.36 N ATOM 1115 CA ARG A 72 -8.622 -6.195 0.390 1.00 0.33 C ATOM 1116 C ARG A 72 -7.860 -5.262 1.310 1.00 0.27 C ATOM 1117 O ARG A 72 -7.163 -5.723 2.208 1.00 0.28 O ATOM 1118 CB ARG A 72 -9.494 -7.099 1.255 1.00 0.43 C ATOM 1119 CG ARG A 72 -10.411 -8.027 0.489 1.00 0.65 C ATOM 1120 CD ARG A 72 -11.077 -8.997 1.446 1.00 1.06 C ATOM 1121 NE ARG A 72 -11.934 -9.960 0.762 1.00 1.10 N ATOM 1122 CZ ARG A 72 -11.510 -11.136 0.307 1.00 1.51 C ATOM 1123 NH1 ARG A 72 -10.217 -11.448 0.356 1.00 2.43 N ATOM 1124 NH2 ARG A 72 -12.374 -11.982 -0.237 1.00 1.52 N ATOM 0 H ARG A 72 -7.374 -7.841 0.003 1.00 0.36 H new ATOM 0 HA ARG A 72 -9.253 -5.629 -0.295 1.00 0.33 H new ATOM 0 HB2 ARG A 72 -8.847 -7.699 1.895 1.00 0.43 H new ATOM 0 HB3 ARG A 72 -10.100 -6.474 1.911 1.00 0.43 H new ATOM 0 HG2 ARG A 72 -11.167 -7.449 -0.042 1.00 0.65 H new ATOM 0 HG3 ARG A 72 -9.843 -8.576 -0.262 1.00 0.65 H new ATOM 0 HD2 ARG A 72 -10.311 -9.532 2.007 1.00 1.06 H new ATOM 0 HD3 ARG A 72 -11.670 -8.438 2.170 1.00 1.06 H new ATOM 0 HE ARG A 72 -12.915 -9.717 0.625 1.00 1.10 H new ATOM 0 HH11 ARG A 72 -9.547 -10.784 0.744 1.00 2.43 H new ATOM 0 HH12 ARG A 72 -9.897 -12.351 0.006 1.00 2.43 H new ATOM 0 HH21 ARG A 72 -13.360 -11.730 -0.306 1.00 1.52 H new ATOM 0 HH22 ARG A 72 -12.053 -12.885 -0.587 1.00 1.52 H new ATOM 1138 N MET A 73 -8.000 -3.963 1.119 1.00 0.26 N ATOM 1139 CA MET A 73 -7.366 -3.017 2.029 1.00 0.26 C ATOM 1140 C MET A 73 -8.403 -2.468 2.995 1.00 0.23 C ATOM 1141 O MET A 73 -9.533 -2.182 2.598 1.00 0.24 O ATOM 1142 CB MET A 73 -6.705 -1.861 1.291 1.00 0.30 C ATOM 1143 CG MET A 73 -5.862 -0.979 2.206 1.00 0.35 C ATOM 1144 SD MET A 73 -4.106 -1.384 2.138 1.00 0.77 S ATOM 1145 CE MET A 73 -3.429 -0.040 3.112 1.00 0.60 C ATOM 0 H MET A 73 -8.535 -3.542 0.359 1.00 0.26 H new ATOM 0 HA MET A 73 -6.587 -3.555 2.569 1.00 0.26 H new ATOM 0 HB2 MET A 73 -6.075 -2.257 0.495 1.00 0.30 H new ATOM 0 HB3 MET A 73 -7.474 -1.252 0.816 1.00 0.30 H new ATOM 0 HG2 MET A 73 -6.001 0.065 1.926 1.00 0.35 H new ATOM 0 HG3 MET A 73 -6.215 -1.084 3.232 1.00 0.35 H new ATOM 0 HE1 MET A 73 -2.533 0.346 2.626 1.00 0.60 H new ATOM 0 HE2 MET A 73 -4.168 0.757 3.196 1.00 0.60 H new ATOM 0 HE3 MET A 73 -3.174 -0.404 4.107 1.00 0.60 H new ATOM 1155 N LEU A 74 -8.023 -2.350 4.257 1.00 0.22 N ATOM 1156 CA LEU A 74 -8.920 -1.836 5.276 1.00 0.25 C ATOM 1157 C LEU A 74 -9.133 -0.344 5.116 1.00 0.33 C ATOM 1158 O LEU A 74 -8.178 0.429 5.049 1.00 0.74 O ATOM 1159 CB LEU A 74 -8.364 -2.101 6.666 1.00 0.24 C ATOM 1160 CG LEU A 74 -9.344 -1.883 7.818 1.00 0.30 C ATOM 1161 CD1 LEU A 74 -9.912 -3.215 8.261 1.00 0.34 C ATOM 1162 CD2 LEU A 74 -8.672 -1.171 8.985 1.00 0.42 C ATOM 0 H LEU A 74 -7.097 -2.604 4.600 1.00 0.22 H new ATOM 0 HA LEU A 74 -9.873 -2.351 5.155 1.00 0.25 H new ATOM 0 HB2 LEU A 74 -8.007 -3.130 6.706 1.00 0.24 H new ATOM 0 HB3 LEU A 74 -7.498 -1.457 6.821 1.00 0.24 H new ATOM 0 HG LEU A 74 -10.156 -1.246 7.468 1.00 0.30 H new ATOM 0 HD11 LEU A 74 -10.611 -3.057 9.083 1.00 0.34 H new ATOM 0 HD12 LEU A 74 -10.433 -3.684 7.426 1.00 0.34 H new ATOM 0 HD13 LEU A 74 -9.102 -3.864 8.593 1.00 0.34 H new ATOM 0 HD21 LEU A 74 -9.394 -1.030 9.789 1.00 0.42 H new ATOM 0 HD22 LEU A 74 -7.838 -1.773 9.347 1.00 0.42 H new ATOM 0 HD23 LEU A 74 -8.302 -0.200 8.655 1.00 0.42 H new ATOM 1174 N ALA A 75 -10.387 0.040 5.048 1.00 0.27 N ATOM 1175 CA ALA A 75 -10.755 1.435 5.075 1.00 0.26 C ATOM 1176 C ALA A 75 -10.872 1.906 6.507 1.00 0.31 C ATOM 1177 O ALA A 75 -10.998 1.101 7.429 1.00 0.60 O ATOM 1178 CB ALA A 75 -12.058 1.662 4.327 1.00 0.29 C ATOM 0 H ALA A 75 -11.176 -0.602 4.973 1.00 0.27 H new ATOM 0 HA ALA A 75 -9.977 2.014 4.576 1.00 0.26 H new ATOM 0 HB1 ALA A 75 -12.317 2.720 4.360 1.00 0.29 H new ATOM 0 HB2 ALA A 75 -11.941 1.349 3.289 1.00 0.29 H new ATOM 0 HB3 ALA A 75 -12.852 1.080 4.794 1.00 0.29 H new ATOM 1184 N LYS A 76 -10.822 3.214 6.661 1.00 0.28 N ATOM 1185 CA LYS A 76 -10.892 3.894 7.950 1.00 0.30 C ATOM 1186 C LYS A 76 -11.966 3.331 8.884 1.00 0.33 C ATOM 1187 O LYS A 76 -11.829 3.369 10.102 1.00 0.42 O ATOM 1188 CB LYS A 76 -11.187 5.359 7.674 1.00 0.39 C ATOM 1189 CG LYS A 76 -10.992 6.254 8.865 1.00 0.41 C ATOM 1190 CD LYS A 76 -11.297 7.700 8.513 1.00 0.47 C ATOM 1191 CE LYS A 76 -12.756 7.876 8.107 1.00 0.53 C ATOM 1192 NZ LYS A 76 -13.094 9.303 7.849 1.00 1.23 N ATOM 0 H LYS A 76 -10.729 3.856 5.874 1.00 0.28 H new ATOM 0 HA LYS A 76 -9.940 3.748 8.461 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -10.543 5.703 6.864 1.00 0.39 H new ATOM 0 HB3 LYS A 76 -12.216 5.453 7.326 1.00 0.39 H new ATOM 0 HG2 LYS A 76 -11.640 5.929 9.679 1.00 0.41 H new ATOM 0 HG3 LYS A 76 -9.966 6.171 9.223 1.00 0.41 H new ATOM 0 HD2 LYS A 76 -11.076 8.339 9.368 1.00 0.47 H new ATOM 0 HD3 LYS A 76 -10.649 8.022 7.698 1.00 0.47 H new ATOM 0 HE2 LYS A 76 -12.957 7.288 7.211 1.00 0.53 H new ATOM 0 HE3 LYS A 76 -13.401 7.487 8.895 1.00 0.53 H new ATOM 0 HZ1 LYS A 76 -14.095 9.379 7.576 1.00 1.23 H new ATOM 0 HZ2 LYS A 76 -12.927 9.861 8.711 1.00 1.23 H new ATOM 0 HZ3 LYS A 76 -12.497 9.668 7.080 1.00 1.23 H new ATOM 1206 N HIS A 77 -13.017 2.795 8.300 1.00 0.44 N ATOM 1207 CA HIS A 77 -14.201 2.391 9.045 1.00 0.62 C ATOM 1208 C HIS A 77 -14.347 0.872 9.071 1.00 0.69 C ATOM 1209 O HIS A 77 -15.455 0.344 9.136 1.00 0.89 O ATOM 1210 CB HIS A 77 -15.454 3.070 8.465 1.00 0.77 C ATOM 1211 CG HIS A 77 -15.349 3.445 7.011 1.00 0.68 C ATOM 1212 ND1 HIS A 77 -16.077 2.846 6.012 1.00 0.74 N ATOM 1213 CD2 HIS A 77 -14.584 4.382 6.397 1.00 0.67 C ATOM 1214 CE1 HIS A 77 -15.759 3.396 4.853 1.00 0.70 C ATOM 1215 NE2 HIS A 77 -14.860 4.330 5.060 1.00 0.69 N ATOM 0 H HIS A 77 -13.079 2.625 7.296 1.00 0.44 H new ATOM 0 HA HIS A 77 -14.086 2.719 10.078 1.00 0.62 H new ATOM 0 HB2 HIS A 77 -16.305 2.402 8.593 1.00 0.77 H new ATOM 0 HB3 HIS A 77 -15.665 3.969 9.044 1.00 0.77 H new ATOM 0 HD2 HIS A 77 -13.883 5.049 6.878 1.00 0.67 H new ATOM 0 HE1 HIS A 77 -16.171 3.122 3.893 1.00 0.70 H new ATOM 0 HE2 HIS A 77 -14.438 4.919 4.342 1.00 0.69 H new ATOM 1224 N GLY A 78 -13.208 0.185 9.043 1.00 0.58 N ATOM 1225 CA GLY A 78 -13.199 -1.272 9.070 1.00 0.72 C ATOM 1226 C GLY A 78 -13.706 -1.888 7.782 1.00 0.76 C ATOM 1227 O GLY A 78 -14.061 -3.067 7.739 1.00 1.31 O ATOM 0 H GLY A 78 -12.283 0.613 9.002 1.00 0.58 H new ATOM 0 HA2 GLY A 78 -12.184 -1.621 9.259 1.00 0.72 H new ATOM 0 HA3 GLY A 78 -13.815 -1.619 9.900 1.00 0.72 H new ATOM 1231 N GLY A 79 -13.747 -1.079 6.737 1.00 0.37 N ATOM 1232 CA GLY A 79 -14.230 -1.541 5.456 1.00 0.37 C ATOM 1233 C GLY A 79 -13.137 -2.190 4.648 1.00 0.28 C ATOM 1234 O GLY A 79 -11.985 -2.213 5.071 1.00 0.29 O ATOM 0 H GLY A 79 -13.452 -0.103 6.754 1.00 0.37 H new ATOM 0 HA2 GLY A 79 -15.041 -2.253 5.608 1.00 0.37 H new ATOM 0 HA3 GLY A 79 -14.644 -0.701 4.899 1.00 0.37 H new ATOM 1238 N TYR A 80 -13.483 -2.706 3.485 1.00 0.24 N ATOM 1239 CA TYR A 80 -12.503 -3.357 2.633 1.00 0.21 C ATOM 1240 C TYR A 80 -12.714 -2.966 1.188 1.00 0.22 C ATOM 1241 O TYR A 80 -13.825 -3.030 0.672 1.00 0.28 O ATOM 1242 CB TYR A 80 -12.567 -4.880 2.771 1.00 0.26 C ATOM 1243 CG TYR A 80 -12.136 -5.375 4.124 1.00 0.26 C ATOM 1244 CD1 TYR A 80 -10.801 -5.343 4.496 1.00 0.23 C ATOM 1245 CD2 TYR A 80 -13.062 -5.864 5.035 1.00 0.34 C ATOM 1246 CE1 TYR A 80 -10.398 -5.786 5.735 1.00 0.26 C ATOM 1247 CE2 TYR A 80 -12.669 -6.308 6.280 1.00 0.37 C ATOM 1248 CZ TYR A 80 -11.335 -6.269 6.627 1.00 0.33 C ATOM 1249 OH TYR A 80 -10.939 -6.708 7.868 1.00 0.38 O ATOM 0 H TYR A 80 -14.431 -2.688 3.108 1.00 0.24 H new ATOM 0 HA TYR A 80 -11.516 -3.025 2.955 1.00 0.21 H new ATOM 0 HB2 TYR A 80 -13.587 -5.212 2.579 1.00 0.26 H new ATOM 0 HB3 TYR A 80 -11.935 -5.334 2.008 1.00 0.26 H new ATOM 0 HD1 TYR A 80 -10.065 -4.964 3.802 1.00 0.23 H new ATOM 0 HD2 TYR A 80 -14.107 -5.897 4.764 1.00 0.34 H new ATOM 0 HE1 TYR A 80 -9.354 -5.756 6.009 1.00 0.26 H new ATOM 0 HE2 TYR A 80 -13.401 -6.684 6.979 1.00 0.37 H new ATOM 0 HH TYR A 80 -11.722 -7.014 8.372 1.00 0.38 H new ATOM 1259 N VAL A 81 -11.649 -2.543 0.548 1.00 0.24 N ATOM 1260 CA VAL A 81 -11.691 -2.216 -0.861 1.00 0.28 C ATOM 1261 C VAL A 81 -10.613 -2.994 -1.593 1.00 0.26 C ATOM 1262 O VAL A 81 -9.549 -3.252 -1.036 1.00 0.26 O ATOM 1263 CB VAL A 81 -11.519 -0.699 -1.103 1.00 0.32 C ATOM 1264 CG1 VAL A 81 -12.852 0.019 -0.968 1.00 0.39 C ATOM 1265 CG2 VAL A 81 -10.514 -0.109 -0.126 1.00 0.30 C ATOM 0 H VAL A 81 -10.735 -2.416 0.983 1.00 0.24 H new ATOM 0 HA VAL A 81 -12.671 -2.496 -1.247 1.00 0.28 H new ATOM 0 HB VAL A 81 -11.145 -0.561 -2.117 1.00 0.32 H new ATOM 0 HG11 VAL A 81 -12.710 1.086 -1.142 1.00 0.39 H new ATOM 0 HG12 VAL A 81 -13.555 -0.378 -1.701 1.00 0.39 H new ATOM 0 HG13 VAL A 81 -13.248 -0.135 0.036 1.00 0.39 H new ATOM 0 HG21 VAL A 81 -10.408 0.959 -0.314 1.00 0.30 H new ATOM 0 HG22 VAL A 81 -10.864 -0.265 0.894 1.00 0.30 H new ATOM 0 HG23 VAL A 81 -9.549 -0.598 -0.257 1.00 0.30 H new ATOM 1275 N TRP A 82 -10.894 -3.402 -2.816 1.00 0.28 N ATOM 1276 CA TRP A 82 -9.937 -4.186 -3.582 1.00 0.29 C ATOM 1277 C TRP A 82 -8.987 -3.295 -4.362 1.00 0.28 C ATOM 1278 O TRP A 82 -9.402 -2.543 -5.245 1.00 0.31 O ATOM 1279 CB TRP A 82 -10.644 -5.151 -4.524 1.00 0.35 C ATOM 1280 CG TRP A 82 -11.286 -6.307 -3.819 1.00 0.37 C ATOM 1281 CD1 TRP A 82 -12.499 -6.324 -3.192 1.00 0.40 C ATOM 1282 CD2 TRP A 82 -10.735 -7.619 -3.664 1.00 0.40 C ATOM 1283 NE1 TRP A 82 -12.737 -7.572 -2.666 1.00 0.44 N ATOM 1284 CE2 TRP A 82 -11.670 -8.382 -2.943 1.00 0.44 C ATOM 1285 CE3 TRP A 82 -9.545 -8.224 -4.069 1.00 0.43 C ATOM 1286 CZ2 TRP A 82 -11.448 -9.715 -2.618 1.00 0.50 C ATOM 1287 CZ3 TRP A 82 -9.326 -9.548 -3.744 1.00 0.49 C ATOM 1288 CH2 TRP A 82 -10.274 -10.281 -3.024 1.00 0.52 C ATOM 0 H TRP A 82 -11.770 -3.207 -3.300 1.00 0.28 H new ATOM 0 HA TRP A 82 -9.352 -4.766 -2.868 1.00 0.29 H new ATOM 0 HB2 TRP A 82 -11.405 -4.608 -5.084 1.00 0.35 H new ATOM 0 HB3 TRP A 82 -9.925 -5.531 -5.250 1.00 0.35 H new ATOM 0 HD1 TRP A 82 -13.172 -5.482 -3.120 1.00 0.40 H new ATOM 0 HE1 TRP A 82 -13.574 -7.849 -2.152 1.00 0.44 H new ATOM 0 HE3 TRP A 82 -8.808 -7.666 -4.627 1.00 0.43 H new ATOM 0 HZ2 TRP A 82 -12.179 -10.284 -2.063 1.00 0.50 H new ATOM 0 HZ3 TRP A 82 -8.407 -10.025 -4.051 1.00 0.49 H new ATOM 0 HH2 TRP A 82 -10.074 -11.315 -2.784 1.00 0.52 H new ATOM 1299 N LEU A 83 -7.712 -3.395 -4.034 1.00 0.28 N ATOM 1300 CA LEU A 83 -6.696 -2.563 -4.661 1.00 0.28 C ATOM 1301 C LEU A 83 -5.555 -3.397 -5.204 1.00 0.29 C ATOM 1302 O LEU A 83 -5.372 -4.535 -4.805 1.00 0.36 O ATOM 1303 CB LEU A 83 -6.130 -1.538 -3.671 1.00 0.28 C ATOM 1304 CG LEU A 83 -7.082 -0.469 -3.148 1.00 0.29 C ATOM 1305 CD1 LEU A 83 -7.764 -0.944 -1.890 1.00 0.29 C ATOM 1306 CD2 LEU A 83 -6.324 0.822 -2.886 1.00 0.40 C ATOM 0 H LEU A 83 -7.353 -4.045 -3.335 1.00 0.28 H new ATOM 0 HA LEU A 83 -7.183 -2.042 -5.485 1.00 0.28 H new ATOM 0 HB2 LEU A 83 -5.731 -2.082 -2.815 1.00 0.28 H new ATOM 0 HB3 LEU A 83 -5.290 -1.036 -4.150 1.00 0.28 H new ATOM 0 HG LEU A 83 -7.845 -0.279 -3.903 1.00 0.29 H new ATOM 0 HD11 LEU A 83 -8.441 -0.170 -1.528 1.00 0.29 H new ATOM 0 HD12 LEU A 83 -8.331 -1.850 -2.103 1.00 0.29 H new ATOM 0 HD13 LEU A 83 -7.014 -1.156 -1.127 1.00 0.29 H new ATOM 0 HD21 LEU A 83 -7.013 1.579 -2.513 1.00 0.40 H new ATOM 0 HD22 LEU A 83 -5.545 0.643 -2.144 1.00 0.40 H new ATOM 0 HD23 LEU A 83 -5.869 1.171 -3.813 1.00 0.40 H new ATOM 1318 N GLU A 84 -4.785 -2.808 -6.103 1.00 0.32 N ATOM 1319 CA GLU A 84 -3.651 -3.483 -6.710 1.00 0.34 C ATOM 1320 C GLU A 84 -2.375 -2.692 -6.456 1.00 0.35 C ATOM 1321 O GLU A 84 -2.391 -1.464 -6.492 1.00 0.39 O ATOM 1322 CB GLU A 84 -3.887 -3.632 -8.212 1.00 0.41 C ATOM 1323 CG GLU A 84 -3.636 -5.033 -8.724 1.00 0.59 C ATOM 1324 CD GLU A 84 -4.111 -5.233 -10.144 1.00 0.49 C ATOM 1325 OE1 GLU A 84 -3.382 -4.838 -11.073 1.00 1.23 O ATOM 1326 OE2 GLU A 84 -5.225 -5.768 -10.340 1.00 0.88 O ATOM 0 H GLU A 84 -4.927 -1.853 -6.431 1.00 0.32 H new ATOM 0 HA GLU A 84 -3.543 -4.472 -6.265 1.00 0.34 H new ATOM 0 HB2 GLU A 84 -4.914 -3.348 -8.441 1.00 0.41 H new ATOM 0 HB3 GLU A 84 -3.238 -2.937 -8.745 1.00 0.41 H new ATOM 0 HG2 GLU A 84 -2.569 -5.249 -8.669 1.00 0.59 H new ATOM 0 HG3 GLU A 84 -4.140 -5.748 -8.073 1.00 0.59 H new ATOM 1333 N THR A 85 -1.274 -3.392 -6.206 1.00 0.36 N ATOM 1334 CA THR A 85 0.000 -2.740 -5.934 1.00 0.37 C ATOM 1335 C THR A 85 0.957 -2.901 -7.088 1.00 0.32 C ATOM 1336 O THR A 85 1.444 -3.999 -7.375 1.00 0.43 O ATOM 1337 CB THR A 85 0.691 -3.285 -4.661 1.00 0.52 C ATOM 1338 OG1 THR A 85 -0.099 -3.016 -3.504 1.00 0.68 O ATOM 1339 CG2 THR A 85 2.072 -2.666 -4.475 1.00 0.60 C ATOM 0 H THR A 85 -1.239 -4.411 -6.186 1.00 0.36 H new ATOM 0 HA THR A 85 -0.240 -1.687 -5.784 1.00 0.37 H new ATOM 0 HB THR A 85 0.799 -4.362 -4.787 1.00 0.52 H new ATOM 0 HG1 THR A 85 -1.048 -3.027 -3.746 1.00 0.68 H new ATOM 0 HG21 THR A 85 2.532 -3.068 -3.573 1.00 0.60 H new ATOM 0 HG22 THR A 85 2.696 -2.902 -5.337 1.00 0.60 H new ATOM 0 HG23 THR A 85 1.976 -1.584 -4.382 1.00 0.60 H new ATOM 1347 N GLN A 86 1.205 -1.798 -7.756 1.00 0.29 N ATOM 1348 CA GLN A 86 2.351 -1.703 -8.621 1.00 0.35 C ATOM 1349 C GLN A 86 3.534 -1.324 -7.745 1.00 0.28 C ATOM 1350 O GLN A 86 3.668 -0.169 -7.338 1.00 0.30 O ATOM 1351 CB GLN A 86 2.143 -0.665 -9.716 1.00 0.50 C ATOM 1352 CG GLN A 86 3.315 -0.590 -10.662 1.00 0.70 C ATOM 1353 CD GLN A 86 3.309 0.663 -11.513 1.00 1.06 C ATOM 1354 OE1 GLN A 86 2.691 0.708 -12.577 1.00 1.95 O ATOM 1355 NE2 GLN A 86 4.035 1.675 -11.074 1.00 1.15 N ATOM 0 H GLN A 86 0.628 -0.958 -7.715 1.00 0.29 H new ATOM 0 HA GLN A 86 2.521 -2.654 -9.125 1.00 0.35 H new ATOM 0 HB2 GLN A 86 1.241 -0.908 -10.277 1.00 0.50 H new ATOM 0 HB3 GLN A 86 1.982 0.313 -9.261 1.00 0.50 H new ATOM 0 HG2 GLN A 86 4.241 -0.629 -10.088 1.00 0.70 H new ATOM 0 HG3 GLN A 86 3.306 -1.465 -11.313 1.00 0.70 H new ATOM 0 HE21 GLN A 86 4.533 1.599 -10.187 1.00 1.15 H new ATOM 0 HE22 GLN A 86 4.098 2.533 -11.622 1.00 1.15 H new ATOM 1364 N GLY A 87 4.349 -2.307 -7.407 1.00 0.27 N ATOM 1365 CA GLY A 87 5.365 -2.101 -6.405 1.00 0.26 C ATOM 1366 C GLY A 87 6.758 -1.989 -6.970 1.00 0.24 C ATOM 1367 O GLY A 87 7.093 -2.592 -7.990 1.00 0.27 O ATOM 0 H GLY A 87 4.324 -3.244 -7.809 1.00 0.27 H new ATOM 0 HA2 GLY A 87 5.134 -1.193 -5.847 1.00 0.26 H new ATOM 0 HA3 GLY A 87 5.336 -2.927 -5.695 1.00 0.26 H new ATOM 1371 N THR A 88 7.557 -1.189 -6.301 1.00 0.23 N ATOM 1372 CA THR A 88 8.949 -0.968 -6.654 1.00 0.22 C ATOM 1373 C THR A 88 9.723 -0.556 -5.404 1.00 0.25 C ATOM 1374 O THR A 88 9.331 0.387 -4.723 1.00 0.36 O ATOM 1375 CB THR A 88 9.088 0.135 -7.730 1.00 0.23 C ATOM 1376 OG1 THR A 88 8.272 -0.181 -8.867 1.00 0.25 O ATOM 1377 CG2 THR A 88 10.536 0.290 -8.177 1.00 0.24 C ATOM 0 H THR A 88 7.256 -0.662 -5.481 1.00 0.23 H new ATOM 0 HA THR A 88 9.352 -1.895 -7.062 1.00 0.22 H new ATOM 0 HB THR A 88 8.758 1.075 -7.288 1.00 0.23 H new ATOM 0 HG1 THR A 88 8.365 0.523 -9.542 1.00 0.25 H new ATOM 0 HG21 THR A 88 10.602 1.072 -8.933 1.00 0.24 H new ATOM 0 HG22 THR A 88 11.154 0.560 -7.321 1.00 0.24 H new ATOM 0 HG23 THR A 88 10.890 -0.651 -8.597 1.00 0.24 H new ATOM 1385 N VAL A 89 10.795 -1.258 -5.078 1.00 0.28 N ATOM 1386 CA VAL A 89 11.610 -0.858 -3.940 1.00 0.31 C ATOM 1387 C VAL A 89 12.761 0.014 -4.399 1.00 0.30 C ATOM 1388 O VAL A 89 13.591 -0.390 -5.214 1.00 0.34 O ATOM 1389 CB VAL A 89 12.146 -2.053 -3.118 1.00 0.42 C ATOM 1390 CG1 VAL A 89 13.311 -1.630 -2.240 1.00 0.36 C ATOM 1391 CG2 VAL A 89 11.051 -2.628 -2.244 1.00 0.56 C ATOM 0 H VAL A 89 11.118 -2.090 -5.572 1.00 0.28 H new ATOM 0 HA VAL A 89 10.955 -0.292 -3.277 1.00 0.31 H new ATOM 0 HB VAL A 89 12.488 -2.812 -3.822 1.00 0.42 H new ATOM 0 HG11 VAL A 89 13.669 -2.489 -1.672 1.00 0.36 H new ATOM 0 HG12 VAL A 89 14.117 -1.246 -2.865 1.00 0.36 H new ATOM 0 HG13 VAL A 89 12.984 -0.851 -1.551 1.00 0.36 H new ATOM 0 HG21 VAL A 89 11.445 -3.468 -1.672 1.00 0.56 H new ATOM 0 HG22 VAL A 89 10.691 -1.860 -1.559 1.00 0.56 H new ATOM 0 HG23 VAL A 89 10.227 -2.970 -2.871 1.00 0.56 H new ATOM 1401 N ILE A 90 12.773 1.227 -3.889 1.00 0.27 N ATOM 1402 CA ILE A 90 13.827 2.160 -4.195 1.00 0.30 C ATOM 1403 C ILE A 90 15.019 1.905 -3.279 1.00 0.34 C ATOM 1404 O ILE A 90 14.876 1.799 -2.060 1.00 0.41 O ATOM 1405 CB ILE A 90 13.329 3.621 -4.100 1.00 0.32 C ATOM 1406 CG1 ILE A 90 14.274 4.568 -4.841 1.00 0.71 C ATOM 1407 CG2 ILE A 90 13.157 4.067 -2.657 1.00 0.73 C ATOM 1408 CD1 ILE A 90 13.703 5.959 -5.015 1.00 0.78 C ATOM 0 H ILE A 90 12.058 1.588 -3.257 1.00 0.27 H new ATOM 0 HA ILE A 90 14.147 2.007 -5.226 1.00 0.30 H new ATOM 0 HB ILE A 90 12.350 3.659 -4.578 1.00 0.32 H new ATOM 0 HG12 ILE A 90 15.215 4.634 -4.295 1.00 0.71 H new ATOM 0 HG13 ILE A 90 14.503 4.150 -5.821 1.00 0.71 H new ATOM 0 HG21 ILE A 90 12.806 5.099 -2.634 1.00 0.73 H new ATOM 0 HG22 ILE A 90 12.428 3.425 -2.162 1.00 0.73 H new ATOM 0 HG23 ILE A 90 14.113 3.998 -2.138 1.00 0.73 H new ATOM 0 HD11 ILE A 90 14.421 6.583 -5.548 1.00 0.78 H new ATOM 0 HD12 ILE A 90 12.776 5.903 -5.586 1.00 0.78 H new ATOM 0 HD13 ILE A 90 13.500 6.394 -4.036 1.00 0.78 H new ATOM 1420 N TYR A 91 16.172 1.682 -3.883 1.00 0.36 N ATOM 1421 CA TYR A 91 17.390 1.473 -3.121 1.00 0.42 C ATOM 1422 C TYR A 91 18.383 2.604 -3.308 1.00 0.48 C ATOM 1423 O TYR A 91 18.416 3.266 -4.345 1.00 0.58 O ATOM 1424 CB TYR A 91 18.107 0.189 -3.518 1.00 0.51 C ATOM 1425 CG TYR A 91 17.273 -1.063 -3.526 1.00 0.43 C ATOM 1426 CD1 TYR A 91 17.127 -1.835 -2.384 1.00 0.55 C ATOM 1427 CD2 TYR A 91 16.597 -1.445 -4.671 1.00 0.45 C ATOM 1428 CE1 TYR A 91 16.330 -2.961 -2.387 1.00 0.76 C ATOM 1429 CE2 TYR A 91 15.805 -2.568 -4.686 1.00 0.61 C ATOM 1430 CZ TYR A 91 15.804 -3.413 -3.540 1.00 0.79 C ATOM 1431 OH TYR A 91 14.873 -4.446 -3.546 1.00 1.06 O ATOM 0 H TYR A 91 16.291 1.641 -4.895 1.00 0.36 H new ATOM 0 HA TYR A 91 17.063 1.420 -2.083 1.00 0.42 H new ATOM 0 HB2 TYR A 91 18.529 0.326 -4.514 1.00 0.51 H new ATOM 0 HB3 TYR A 91 18.944 0.039 -2.836 1.00 0.51 H new ATOM 0 HD1 TYR A 91 17.644 -1.551 -1.479 1.00 0.55 H new ATOM 0 HD2 TYR A 91 16.693 -0.851 -5.568 1.00 0.45 H new ATOM 0 HE1 TYR A 91 16.128 -3.481 -1.462 1.00 0.76 H new ATOM 0 HE2 TYR A 91 15.197 -2.804 -5.547 1.00 0.61 H new ATOM 0 HH TYR A 91 15.106 -5.101 -2.855 1.00 1.06 H new ATOM 1441 N ASN A 92 19.166 2.827 -2.267 1.00 0.57 N ATOM 1442 CA ASN A 92 20.360 3.676 -2.345 1.00 0.71 C ATOM 1443 C ASN A 92 21.257 3.219 -3.488 1.00 0.69 C ATOM 1444 O ASN A 92 21.574 2.044 -3.583 1.00 0.63 O ATOM 1445 CB ASN A 92 21.169 3.570 -1.048 1.00 0.83 C ATOM 1446 CG ASN A 92 21.773 4.892 -0.613 1.00 1.09 C ATOM 1447 OD1 ASN A 92 21.138 5.682 0.079 1.00 1.77 O ATOM 1448 ND2 ASN A 92 23.019 5.126 -0.984 1.00 1.50 N ATOM 0 H ASN A 92 19.000 2.430 -1.342 1.00 0.57 H new ATOM 0 HA ASN A 92 20.032 4.703 -2.507 1.00 0.71 H new ATOM 0 HB2 ASN A 92 20.524 3.194 -0.254 1.00 0.83 H new ATOM 0 HB3 ASN A 92 21.967 2.840 -1.183 1.00 0.83 H new ATOM 0 HD21 ASN A 92 23.484 5.986 -0.695 1.00 1.50 H new ATOM 0 HD22 ASN A 92 23.516 4.446 -1.560 1.00 1.50 H new ATOM 1455 N PRO A 93 21.687 4.113 -4.375 1.00 0.84 N ATOM 1456 CA PRO A 93 22.652 3.747 -5.408 1.00 0.91 C ATOM 1457 C PRO A 93 24.056 3.556 -4.833 1.00 0.96 C ATOM 1458 O PRO A 93 24.839 2.745 -5.321 1.00 1.00 O ATOM 1459 CB PRO A 93 22.609 4.929 -6.378 1.00 1.13 C ATOM 1460 CG PRO A 93 22.128 6.084 -5.563 1.00 1.23 C ATOM 1461 CD PRO A 93 21.245 5.514 -4.483 1.00 1.00 C ATOM 0 HA PRO A 93 22.410 2.797 -5.883 1.00 0.91 H new ATOM 0 HB2 PRO A 93 23.594 5.128 -6.801 1.00 1.13 H new ATOM 0 HB3 PRO A 93 21.938 4.729 -7.213 1.00 1.13 H new ATOM 0 HG2 PRO A 93 22.967 6.628 -5.130 1.00 1.23 H new ATOM 0 HG3 PRO A 93 21.575 6.791 -6.182 1.00 1.23 H new ATOM 0 HD2 PRO A 93 21.370 6.047 -3.541 1.00 1.00 H new ATOM 0 HD3 PRO A 93 20.190 5.582 -4.750 1.00 1.00 H new ATOM 1469 N ARG A 94 24.361 4.301 -3.774 1.00 1.03 N ATOM 1470 CA ARG A 94 25.677 4.243 -3.136 1.00 1.13 C ATOM 1471 C ARG A 94 25.735 3.219 -1.995 1.00 1.04 C ATOM 1472 O ARG A 94 26.775 3.052 -1.364 1.00 1.16 O ATOM 1473 CB ARG A 94 26.048 5.624 -2.601 1.00 1.37 C ATOM 1474 CG ARG A 94 26.204 6.683 -3.683 1.00 1.93 C ATOM 1475 CD ARG A 94 27.409 6.399 -4.560 1.00 2.43 C ATOM 1476 NE ARG A 94 28.643 6.349 -3.780 1.00 3.09 N ATOM 1477 CZ ARG A 94 29.718 5.656 -4.137 1.00 3.87 C ATOM 1478 NH1 ARG A 94 29.722 4.968 -5.271 1.00 4.14 N ATOM 1479 NH2 ARG A 94 30.794 5.657 -3.364 1.00 4.77 N ATOM 0 H ARG A 94 23.713 4.956 -3.336 1.00 1.03 H new ATOM 0 HA ARG A 94 26.391 3.924 -3.896 1.00 1.13 H new ATOM 0 HB2 ARG A 94 25.282 5.948 -1.897 1.00 1.37 H new ATOM 0 HB3 ARG A 94 26.981 5.548 -2.043 1.00 1.37 H new ATOM 0 HG2 ARG A 94 25.304 6.715 -4.297 1.00 1.93 H new ATOM 0 HG3 ARG A 94 26.310 7.665 -3.222 1.00 1.93 H new ATOM 0 HD2 ARG A 94 27.267 5.451 -5.078 1.00 2.43 H new ATOM 0 HD3 ARG A 94 27.493 7.171 -5.325 1.00 2.43 H new ATOM 0 HE ARG A 94 28.681 6.878 -2.909 1.00 3.09 H new ATOM 0 HH11 ARG A 94 28.898 4.970 -5.872 1.00 4.14 H new ATOM 0 HH12 ARG A 94 30.549 4.437 -5.542 1.00 4.14 H new ATOM 0 HH21 ARG A 94 30.797 6.190 -2.494 1.00 4.77 H new ATOM 0 HH22 ARG A 94 31.620 5.125 -3.638 1.00 4.77 H new ATOM 1493 N ASN A 95 24.624 2.532 -1.747 1.00 0.99 N ATOM 1494 CA ASN A 95 24.522 1.626 -0.582 1.00 1.00 C ATOM 1495 C ASN A 95 23.685 0.387 -0.885 1.00 0.85 C ATOM 1496 O ASN A 95 23.921 -0.683 -0.327 1.00 0.92 O ATOM 1497 CB ASN A 95 23.946 2.353 0.640 1.00 1.15 C ATOM 1498 CG ASN A 95 25.019 3.004 1.494 1.00 1.58 C ATOM 1499 OD1 ASN A 95 26.141 2.514 1.576 1.00 2.23 O ATOM 1500 ND2 ASN A 95 24.681 4.109 2.140 1.00 1.99 N ATOM 0 H ASN A 95 23.784 2.576 -2.324 1.00 0.99 H new ATOM 0 HA ASN A 95 25.538 1.300 -0.357 1.00 1.00 H new ATOM 0 HB2 ASN A 95 23.242 3.115 0.306 1.00 1.15 H new ATOM 0 HB3 ASN A 95 23.384 1.644 1.248 1.00 1.15 H new ATOM 0 HD21 ASN A 95 25.364 4.583 2.731 1.00 1.99 H new ATOM 0 HD22 ASN A 95 23.738 4.486 2.047 1.00 1.99 H new ATOM 1507 N LEU A 96 22.712 0.550 -1.774 1.00 0.72 N ATOM 1508 CA LEU A 96 21.793 -0.520 -2.165 1.00 0.63 C ATOM 1509 C LEU A 96 21.099 -1.178 -0.981 1.00 0.64 C ATOM 1510 O LEU A 96 20.723 -2.349 -1.045 1.00 0.67 O ATOM 1511 CB LEU A 96 22.522 -1.585 -2.984 1.00 0.74 C ATOM 1512 CG LEU A 96 22.857 -1.238 -4.444 1.00 0.86 C ATOM 1513 CD1 LEU A 96 21.616 -0.783 -5.200 1.00 1.22 C ATOM 1514 CD2 LEU A 96 23.957 -0.189 -4.525 1.00 1.76 C ATOM 0 H LEU A 96 22.535 1.435 -2.249 1.00 0.72 H new ATOM 0 HA LEU A 96 21.021 -0.046 -2.771 1.00 0.63 H new ATOM 0 HB2 LEU A 96 23.453 -1.827 -2.472 1.00 0.74 H new ATOM 0 HB3 LEU A 96 21.913 -2.489 -2.982 1.00 0.74 H new ATOM 0 HG LEU A 96 23.227 -2.146 -4.920 1.00 0.86 H new ATOM 0 HD11 LEU A 96 21.884 -0.545 -6.229 1.00 1.22 H new ATOM 0 HD12 LEU A 96 20.873 -1.581 -5.194 1.00 1.22 H new ATOM 0 HD13 LEU A 96 21.201 0.103 -4.719 1.00 1.22 H new ATOM 0 HD21 LEU A 96 24.171 0.034 -5.570 1.00 1.76 H new ATOM 0 HD22 LEU A 96 23.631 0.720 -4.019 1.00 1.76 H new ATOM 0 HD23 LEU A 96 24.858 -0.569 -4.044 1.00 1.76 H new ATOM 1526 N GLN A 97 20.913 -0.433 0.090 1.00 0.71 N ATOM 1527 CA GLN A 97 20.051 -0.883 1.163 1.00 0.76 C ATOM 1528 C GLN A 97 18.618 -0.558 0.769 1.00 0.64 C ATOM 1529 O GLN A 97 18.409 0.303 -0.091 1.00 0.61 O ATOM 1530 CB GLN A 97 20.422 -0.208 2.488 1.00 0.94 C ATOM 1531 CG GLN A 97 20.958 1.203 2.326 1.00 1.21 C ATOM 1532 CD GLN A 97 20.525 2.120 3.446 1.00 2.02 C ATOM 1533 OE1 GLN A 97 21.182 2.222 4.484 1.00 2.29 O ATOM 1534 NE2 GLN A 97 19.435 2.821 3.217 1.00 2.81 N ATOM 0 H GLN A 97 21.343 0.479 0.240 1.00 0.71 H new ATOM 0 HA GLN A 97 20.167 -1.956 1.314 1.00 0.76 H new ATOM 0 HB2 GLN A 97 19.542 -0.181 3.131 1.00 0.94 H new ATOM 0 HB3 GLN A 97 21.170 -0.815 2.998 1.00 0.94 H new ATOM 0 HG2 GLN A 97 22.047 1.172 2.287 1.00 1.21 H new ATOM 0 HG3 GLN A 97 20.616 1.611 1.375 1.00 1.21 H new ATOM 0 HE21 GLN A 97 18.926 2.701 2.341 1.00 2.81 H new ATOM 0 HE22 GLN A 97 19.099 3.485 3.915 1.00 2.81 H new ATOM 1543 N PRO A 98 17.611 -1.228 1.345 1.00 0.62 N ATOM 1544 CA PRO A 98 16.224 -0.927 1.022 1.00 0.55 C ATOM 1545 C PRO A 98 15.825 0.436 1.566 1.00 0.55 C ATOM 1546 O PRO A 98 15.589 0.586 2.763 1.00 0.62 O ATOM 1547 CB PRO A 98 15.433 -2.048 1.705 1.00 0.60 C ATOM 1548 CG PRO A 98 16.310 -2.519 2.814 1.00 0.62 C ATOM 1549 CD PRO A 98 17.732 -2.299 2.354 1.00 0.72 C ATOM 0 HA PRO A 98 16.041 -0.883 -0.052 1.00 0.55 H new ATOM 0 HB2 PRO A 98 14.479 -1.683 2.085 1.00 0.60 H new ATOM 0 HB3 PRO A 98 15.211 -2.856 1.008 1.00 0.60 H new ATOM 0 HG2 PRO A 98 16.108 -1.965 3.731 1.00 0.62 H new ATOM 0 HG3 PRO A 98 16.130 -3.572 3.031 1.00 0.62 H new ATOM 0 HD2 PRO A 98 18.378 -2.001 3.179 1.00 0.72 H new ATOM 0 HD3 PRO A 98 18.159 -3.206 1.926 1.00 0.72 H new ATOM 1557 N GLN A 99 15.777 1.437 0.694 1.00 0.51 N ATOM 1558 CA GLN A 99 15.446 2.784 1.128 1.00 0.54 C ATOM 1559 C GLN A 99 14.012 2.817 1.532 1.00 0.50 C ATOM 1560 O GLN A 99 13.652 3.156 2.660 1.00 0.57 O ATOM 1561 CB GLN A 99 15.586 3.806 0.006 1.00 0.56 C ATOM 1562 CG GLN A 99 16.871 3.771 -0.718 1.00 0.72 C ATOM 1563 CD GLN A 99 18.047 3.989 0.199 1.00 0.97 C ATOM 1564 OE1 GLN A 99 18.644 3.039 0.697 1.00 1.73 O ATOM 1565 NE2 GLN A 99 18.375 5.244 0.443 1.00 1.32 N ATOM 0 H GLN A 99 15.961 1.341 -0.305 1.00 0.51 H new ATOM 0 HA GLN A 99 16.129 3.033 1.940 1.00 0.54 H new ATOM 0 HB2 GLN A 99 14.779 3.649 -0.710 1.00 0.56 H new ATOM 0 HB3 GLN A 99 15.450 4.803 0.425 1.00 0.56 H new ATOM 0 HG2 GLN A 99 16.977 2.809 -1.220 1.00 0.72 H new ATOM 0 HG3 GLN A 99 16.870 4.537 -1.493 1.00 0.72 H new ATOM 0 HE21 GLN A 99 17.851 6.002 0.007 1.00 1.32 H new ATOM 0 HE22 GLN A 99 19.153 5.456 1.068 1.00 1.32 H new ATOM 1574 N CYS A 100 13.199 2.409 0.587 1.00 0.43 N ATOM 1575 CA CYS A 100 11.805 2.734 0.623 1.00 0.41 C ATOM 1576 C CYS A 100 11.026 1.903 -0.389 1.00 0.35 C ATOM 1577 O CYS A 100 11.601 1.280 -1.279 1.00 0.39 O ATOM 1578 CB CYS A 100 11.663 4.225 0.321 1.00 0.45 C ATOM 1579 SG CYS A 100 11.332 5.271 1.760 1.00 0.64 S ATOM 0 H CYS A 100 13.486 1.850 -0.216 1.00 0.43 H new ATOM 0 HA CYS A 100 11.395 2.508 1.607 1.00 0.41 H new ATOM 0 HB2 CYS A 100 12.579 4.572 -0.158 1.00 0.45 H new ATOM 0 HB3 CYS A 100 10.856 4.359 -0.399 1.00 0.45 H new ATOM 0 HG CYS A 100 10.257 4.854 2.361 1.00 0.64 H new ATOM 1585 N ILE A 101 9.718 1.904 -0.234 1.00 0.29 N ATOM 1586 CA ILE A 101 8.825 1.162 -1.104 1.00 0.27 C ATOM 1587 C ILE A 101 7.912 2.143 -1.829 1.00 0.23 C ATOM 1588 O ILE A 101 7.328 3.019 -1.201 1.00 0.28 O ATOM 1589 CB ILE A 101 7.929 0.159 -0.320 1.00 0.35 C ATOM 1590 CG1 ILE A 101 8.737 -0.914 0.424 1.00 0.66 C ATOM 1591 CG2 ILE A 101 6.948 -0.522 -1.262 1.00 0.37 C ATOM 1592 CD1 ILE A 101 9.507 -0.417 1.631 1.00 0.73 C ATOM 0 H ILE A 101 9.240 2.422 0.503 1.00 0.29 H new ATOM 0 HA ILE A 101 9.445 0.596 -1.799 1.00 0.27 H new ATOM 0 HB ILE A 101 7.395 0.746 0.427 1.00 0.35 H new ATOM 0 HG12 ILE A 101 8.056 -1.702 0.746 1.00 0.66 H new ATOM 0 HG13 ILE A 101 9.440 -1.367 -0.275 1.00 0.66 H new ATOM 0 HG21 ILE A 101 6.328 -1.220 -0.699 1.00 0.37 H new ATOM 0 HG22 ILE A 101 6.313 0.229 -1.732 1.00 0.37 H new ATOM 0 HG23 ILE A 101 7.498 -1.064 -2.031 1.00 0.37 H new ATOM 0 HD11 ILE A 101 10.044 -1.248 2.087 1.00 0.73 H new ATOM 0 HD12 ILE A 101 10.219 0.348 1.319 1.00 0.73 H new ATOM 0 HD13 ILE A 101 8.813 0.008 2.356 1.00 0.73 H new ATOM 1604 N MET A 102 7.783 1.988 -3.133 1.00 0.22 N ATOM 1605 CA MET A 102 6.878 2.810 -3.919 1.00 0.23 C ATOM 1606 C MET A 102 5.683 1.970 -4.338 1.00 0.22 C ATOM 1607 O MET A 102 5.836 0.999 -5.078 1.00 0.24 O ATOM 1608 CB MET A 102 7.591 3.364 -5.156 1.00 0.30 C ATOM 1609 CG MET A 102 8.688 4.362 -4.832 1.00 0.69 C ATOM 1610 SD MET A 102 9.592 4.902 -6.299 1.00 1.47 S ATOM 1611 CE MET A 102 8.268 5.595 -7.291 1.00 1.81 C ATOM 0 H MET A 102 8.298 1.294 -3.676 1.00 0.22 H new ATOM 0 HA MET A 102 6.542 3.653 -3.315 1.00 0.23 H new ATOM 0 HB2 MET A 102 8.021 2.535 -5.719 1.00 0.30 H new ATOM 0 HB3 MET A 102 6.857 3.842 -5.804 1.00 0.30 H new ATOM 0 HG2 MET A 102 8.250 5.230 -4.340 1.00 0.69 H new ATOM 0 HG3 MET A 102 9.385 3.913 -4.125 1.00 0.69 H new ATOM 0 HE1 MET A 102 8.692 6.199 -8.093 1.00 1.81 H new ATOM 0 HE2 MET A 102 7.674 4.788 -7.720 1.00 1.81 H new ATOM 0 HE3 MET A 102 7.632 6.219 -6.664 1.00 1.81 H new ATOM 1621 N CYS A 103 4.508 2.309 -3.832 1.00 0.25 N ATOM 1622 CA CYS A 103 3.306 1.551 -4.140 1.00 0.26 C ATOM 1623 C CYS A 103 2.302 2.399 -4.903 1.00 0.27 C ATOM 1624 O CYS A 103 1.867 3.446 -4.422 1.00 0.32 O ATOM 1625 CB CYS A 103 2.650 1.041 -2.853 1.00 0.31 C ATOM 1626 SG CYS A 103 3.704 -0.025 -1.846 1.00 0.39 S ATOM 0 H CYS A 103 4.361 3.102 -3.208 1.00 0.25 H new ATOM 0 HA CYS A 103 3.603 0.707 -4.762 1.00 0.26 H new ATOM 0 HB2 CYS A 103 2.342 1.897 -2.253 1.00 0.31 H new ATOM 0 HB3 CYS A 103 1.745 0.493 -3.114 1.00 0.31 H new ATOM 0 HG CYS A 103 3.048 -0.415 -0.794 1.00 0.39 H new ATOM 1632 N VAL A 104 1.953 1.957 -6.094 1.00 0.27 N ATOM 1633 CA VAL A 104 0.856 2.559 -6.827 1.00 0.28 C ATOM 1634 C VAL A 104 -0.414 1.763 -6.541 1.00 0.29 C ATOM 1635 O VAL A 104 -0.505 0.589 -6.903 1.00 0.29 O ATOM 1636 CB VAL A 104 1.141 2.580 -8.344 1.00 0.30 C ATOM 1637 CG1 VAL A 104 0.012 3.254 -9.102 1.00 0.35 C ATOM 1638 CG2 VAL A 104 2.464 3.276 -8.628 1.00 0.34 C ATOM 0 H VAL A 104 2.412 1.184 -6.575 1.00 0.27 H new ATOM 0 HA VAL A 104 0.734 3.592 -6.503 1.00 0.28 H new ATOM 0 HB VAL A 104 1.210 1.548 -8.689 1.00 0.30 H new ATOM 0 HG11 VAL A 104 0.239 3.255 -10.168 1.00 0.35 H new ATOM 0 HG12 VAL A 104 -0.917 2.711 -8.929 1.00 0.35 H new ATOM 0 HG13 VAL A 104 -0.098 4.281 -8.754 1.00 0.35 H new ATOM 0 HG21 VAL A 104 2.649 3.282 -9.702 1.00 0.34 H new ATOM 0 HG22 VAL A 104 2.421 4.302 -8.262 1.00 0.34 H new ATOM 0 HG23 VAL A 104 3.271 2.744 -8.124 1.00 0.34 H new ATOM 1648 N ASN A 105 -1.383 2.399 -5.887 1.00 0.29 N ATOM 1649 CA ASN A 105 -2.570 1.690 -5.409 1.00 0.30 C ATOM 1650 C ASN A 105 -3.761 1.885 -6.333 1.00 0.27 C ATOM 1651 O ASN A 105 -4.378 2.952 -6.365 1.00 0.39 O ATOM 1652 CB ASN A 105 -2.936 2.123 -3.988 1.00 0.33 C ATOM 1653 CG ASN A 105 -1.940 1.639 -2.954 1.00 0.47 C ATOM 1654 OD1 ASN A 105 -2.073 0.545 -2.399 1.00 0.75 O ATOM 1655 ND2 ASN A 105 -0.938 2.456 -2.682 1.00 0.63 N ATOM 0 H ASN A 105 -1.372 3.397 -5.676 1.00 0.29 H new ATOM 0 HA ASN A 105 -2.320 0.629 -5.402 1.00 0.30 H new ATOM 0 HB2 ASN A 105 -2.995 3.211 -3.948 1.00 0.33 H new ATOM 0 HB3 ASN A 105 -3.926 1.740 -3.740 1.00 0.33 H new ATOM 0 HD21 ASN A 105 -0.237 2.191 -1.990 1.00 0.63 H new ATOM 0 HD22 ASN A 105 -0.865 3.352 -3.164 1.00 0.63 H new ATOM 1662 N TYR A 106 -4.038 0.846 -7.104 1.00 0.23 N ATOM 1663 CA TYR A 106 -5.194 0.815 -7.991 1.00 0.24 C ATOM 1664 C TYR A 106 -6.446 0.364 -7.249 1.00 0.25 C ATOM 1665 O TYR A 106 -6.622 -0.823 -6.985 1.00 0.26 O ATOM 1666 CB TYR A 106 -4.946 -0.128 -9.169 1.00 0.29 C ATOM 1667 CG TYR A 106 -3.782 0.267 -10.045 1.00 0.29 C ATOM 1668 CD1 TYR A 106 -3.961 1.132 -11.114 1.00 0.35 C ATOM 1669 CD2 TYR A 106 -2.504 -0.218 -9.798 1.00 0.31 C ATOM 1670 CE1 TYR A 106 -2.900 1.506 -11.911 1.00 0.40 C ATOM 1671 CE2 TYR A 106 -1.436 0.155 -10.590 1.00 0.35 C ATOM 1672 CZ TYR A 106 -1.643 0.971 -11.668 1.00 0.40 C ATOM 1673 OH TYR A 106 -0.582 1.392 -12.436 1.00 0.48 O ATOM 0 H TYR A 106 -3.469 -0.000 -7.134 1.00 0.23 H new ATOM 0 HA TYR A 106 -5.346 1.829 -8.361 1.00 0.24 H new ATOM 0 HB2 TYR A 106 -4.772 -1.133 -8.785 1.00 0.29 H new ATOM 0 HB3 TYR A 106 -5.847 -0.172 -9.780 1.00 0.29 H new ATOM 0 HD1 TYR A 106 -4.947 1.519 -11.326 1.00 0.35 H new ATOM 0 HD2 TYR A 106 -2.343 -0.897 -8.974 1.00 0.31 H new ATOM 0 HE1 TYR A 106 -3.046 2.209 -12.717 1.00 0.40 H new ATOM 0 HE2 TYR A 106 -0.441 -0.196 -10.359 1.00 0.35 H new ATOM 0 HH TYR A 106 0.233 0.930 -12.149 1.00 0.48 H new ATOM 1683 N VAL A 107 -7.301 1.312 -6.904 1.00 0.26 N ATOM 1684 CA VAL A 107 -8.599 0.983 -6.334 1.00 0.28 C ATOM 1685 C VAL A 107 -9.483 0.411 -7.436 1.00 0.33 C ATOM 1686 O VAL A 107 -10.049 1.148 -8.246 1.00 0.46 O ATOM 1687 CB VAL A 107 -9.300 2.202 -5.691 1.00 0.35 C ATOM 1688 CG1 VAL A 107 -10.636 1.798 -5.083 1.00 0.71 C ATOM 1689 CG2 VAL A 107 -8.410 2.846 -4.641 1.00 0.62 C ATOM 0 H VAL A 107 -7.122 2.311 -7.007 1.00 0.26 H new ATOM 0 HA VAL A 107 -8.438 0.255 -5.538 1.00 0.28 H new ATOM 0 HB VAL A 107 -9.488 2.935 -6.476 1.00 0.35 H new ATOM 0 HG11 VAL A 107 -11.111 2.671 -4.636 1.00 0.71 H new ATOM 0 HG12 VAL A 107 -11.282 1.391 -5.861 1.00 0.71 H new ATOM 0 HG13 VAL A 107 -10.473 1.042 -4.315 1.00 0.71 H new ATOM 0 HG21 VAL A 107 -8.925 3.701 -4.203 1.00 0.62 H new ATOM 0 HG22 VAL A 107 -8.184 2.120 -3.860 1.00 0.62 H new ATOM 0 HG23 VAL A 107 -7.482 3.180 -5.106 1.00 0.62 H new ATOM 1699 N LEU A 108 -9.570 -0.907 -7.481 1.00 0.31 N ATOM 1700 CA LEU A 108 -10.238 -1.596 -8.572 1.00 0.39 C ATOM 1701 C LEU A 108 -11.707 -1.829 -8.263 1.00 0.44 C ATOM 1702 O LEU A 108 -12.587 -1.225 -8.879 1.00 0.60 O ATOM 1703 CB LEU A 108 -9.550 -2.933 -8.835 1.00 0.44 C ATOM 1704 CG LEU A 108 -8.087 -2.836 -9.254 1.00 0.46 C ATOM 1705 CD1 LEU A 108 -7.272 -3.904 -8.557 1.00 0.66 C ATOM 1706 CD2 LEU A 108 -7.954 -2.980 -10.760 1.00 0.48 C ATOM 0 H LEU A 108 -9.183 -1.526 -6.769 1.00 0.31 H new ATOM 0 HA LEU A 108 -10.174 -0.966 -9.459 1.00 0.39 H new ATOM 0 HB2 LEU A 108 -9.614 -3.541 -7.932 1.00 0.44 H new ATOM 0 HB3 LEU A 108 -10.101 -3.460 -9.614 1.00 0.44 H new ATOM 0 HG LEU A 108 -7.709 -1.856 -8.963 1.00 0.46 H new ATOM 0 HD11 LEU A 108 -6.229 -3.824 -8.864 1.00 0.66 H new ATOM 0 HD12 LEU A 108 -7.343 -3.770 -7.478 1.00 0.66 H new ATOM 0 HD13 LEU A 108 -7.656 -4.888 -8.826 1.00 0.66 H new ATOM 0 HD21 LEU A 108 -6.903 -2.908 -11.041 1.00 0.48 H new ATOM 0 HD22 LEU A 108 -8.347 -3.949 -11.069 1.00 0.48 H new ATOM 0 HD23 LEU A 108 -8.516 -2.187 -11.252 1.00 0.48 H new ATOM 1718 N SER A 109 -11.968 -2.701 -7.306 1.00 0.44 N ATOM 1719 CA SER A 109 -13.327 -3.083 -6.984 1.00 0.54 C ATOM 1720 C SER A 109 -13.888 -2.217 -5.862 1.00 0.64 C ATOM 1721 O SER A 109 -13.154 -1.483 -5.199 1.00 0.93 O ATOM 1722 CB SER A 109 -13.374 -4.562 -6.607 1.00 0.64 C ATOM 1723 OG SER A 109 -12.789 -5.354 -7.630 1.00 1.46 O ATOM 0 H SER A 109 -11.254 -3.158 -6.738 1.00 0.44 H new ATOM 0 HA SER A 109 -13.951 -2.925 -7.864 1.00 0.54 H new ATOM 0 HB2 SER A 109 -12.844 -4.721 -5.668 1.00 0.64 H new ATOM 0 HB3 SER A 109 -14.407 -4.870 -6.446 1.00 0.64 H new ATOM 0 HG SER A 109 -12.825 -6.299 -7.373 1.00 1.46 H new ATOM 1729 N GLU A 110 -15.189 -2.320 -5.662 1.00 0.62 N ATOM 1730 CA GLU A 110 -15.896 -1.499 -4.699 1.00 0.74 C ATOM 1731 C GLU A 110 -15.764 -2.062 -3.287 1.00 0.59 C ATOM 1732 O GLU A 110 -15.050 -3.040 -3.060 1.00 0.55 O ATOM 1733 CB GLU A 110 -17.377 -1.370 -5.088 1.00 1.07 C ATOM 1734 CG GLU A 110 -18.037 -2.681 -5.509 1.00 1.46 C ATOM 1735 CD GLU A 110 -17.713 -3.076 -6.941 1.00 2.17 C ATOM 1736 OE1 GLU A 110 -18.395 -2.589 -7.863 1.00 2.41 O ATOM 1737 OE2 GLU A 110 -16.764 -3.865 -7.151 1.00 2.94 O ATOM 0 H GLU A 110 -15.786 -2.977 -6.164 1.00 0.62 H new ATOM 0 HA GLU A 110 -15.443 -0.508 -4.708 1.00 0.74 H new ATOM 0 HB2 GLU A 110 -17.927 -0.956 -4.243 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -17.464 -0.655 -5.906 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -17.714 -3.476 -4.837 1.00 1.46 H new ATOM 0 HG3 GLU A 110 -19.118 -2.589 -5.399 1.00 1.46 H new ATOM 1744 N ILE A 111 -16.459 -1.437 -2.349 1.00 0.66 N ATOM 1745 CA ILE A 111 -16.347 -1.787 -0.943 1.00 0.59 C ATOM 1746 C ILE A 111 -16.985 -3.131 -0.645 1.00 0.58 C ATOM 1747 O ILE A 111 -18.159 -3.365 -0.931 1.00 0.68 O ATOM 1748 CB ILE A 111 -16.980 -0.703 -0.045 1.00 0.67 C ATOM 1749 CG1 ILE A 111 -16.392 0.672 -0.382 1.00 0.77 C ATOM 1750 CG2 ILE A 111 -16.756 -1.033 1.425 1.00 0.70 C ATOM 1751 CD1 ILE A 111 -17.014 1.815 0.395 1.00 0.89 C ATOM 0 H ILE A 111 -17.113 -0.678 -2.540 1.00 0.66 H new ATOM 0 HA ILE A 111 -15.282 -1.854 -0.721 1.00 0.59 H new ATOM 0 HB ILE A 111 -18.054 -0.678 -0.232 1.00 0.67 H new ATOM 0 HG12 ILE A 111 -15.320 0.655 -0.187 1.00 0.77 H new ATOM 0 HG13 ILE A 111 -16.520 0.859 -1.448 1.00 0.77 H new ATOM 0 HG21 ILE A 111 -17.208 -0.259 2.045 1.00 0.70 H new ATOM 0 HG22 ILE A 111 -17.213 -1.995 1.656 1.00 0.70 H new ATOM 0 HG23 ILE A 111 -15.686 -1.081 1.628 1.00 0.70 H new ATOM 0 HD11 ILE A 111 -16.544 2.753 0.100 1.00 0.89 H new ATOM 0 HD12 ILE A 111 -18.082 1.861 0.182 1.00 0.89 H new ATOM 0 HD13 ILE A 111 -16.863 1.654 1.462 1.00 0.89 H new ATOM 1763 N GLU A 112 -16.178 -4.002 -0.079 1.00 0.53 N ATOM 1764 CA GLU A 112 -16.615 -5.302 0.362 1.00 0.61 C ATOM 1765 C GLU A 112 -16.599 -5.337 1.881 1.00 0.64 C ATOM 1766 O GLU A 112 -15.608 -4.969 2.506 1.00 0.73 O ATOM 1767 CB GLU A 112 -15.699 -6.390 -0.201 1.00 0.68 C ATOM 1768 CG GLU A 112 -16.018 -7.761 0.351 1.00 1.14 C ATOM 1769 CD GLU A 112 -15.013 -8.820 -0.052 1.00 1.24 C ATOM 1770 OE1 GLU A 112 -14.623 -8.856 -1.241 1.00 1.64 O ATOM 1771 OE2 GLU A 112 -14.592 -9.609 0.816 1.00 1.56 O ATOM 0 H GLU A 112 -15.188 -3.822 0.088 1.00 0.53 H new ATOM 0 HA GLU A 112 -17.627 -5.488 0.001 1.00 0.61 H new ATOM 0 HB2 GLU A 112 -15.789 -6.410 -1.287 1.00 0.68 H new ATOM 0 HB3 GLU A 112 -14.663 -6.142 0.028 1.00 0.68 H new ATOM 0 HG2 GLU A 112 -16.060 -7.706 1.439 1.00 1.14 H new ATOM 0 HG3 GLU A 112 -17.008 -8.061 0.008 1.00 1.14 H new