USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 744 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 70 ASN : amide:sc= -0.836 K(o=-0.39,f=-5.4!) USER MOD Set 1.2: A 76 TYR OH : rot 99:sc= 0.441 USER MOD Set 2.1: A 30 CYS SG : rot 180:sc= -1.39 USER MOD Set 2.2: A 48 GLN : amide:sc= -2.12 K(o=-3.5,f=-4.9!) USER MOD Set 3.1: A 18 GLN : amide:sc= -2.26 K(o=-1.4,f=-0.23) USER MOD Set 3.2: A 19 SER OG : rot -123:sc= 0.824 USER MOD Single : A 1 MET CE :methyl 166:sc= 0 (180deg=-0.392) USER MOD Single : A 1 MET N :NH3+ -117:sc= 1.46 (180deg=-0.673) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 30:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 72:sc= 1.16 USER MOD Single : A 14 MET CE :methyl -115:sc= -3.89 (180deg=-8.01!) USER MOD Single : A 21 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.2) USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= -0.0217 (180deg=-1.5) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -1:sc= 1.21 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -32:sc= 0.173 USER MOD Single : A 35 ASN : amide:sc= -0.0884 K(o=-0.088,f=-1.1) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 129:sc= -2.65! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc=-0.00226 X(o=-0.0023,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0322 X(o=-0.032,f=-0.14) USER MOD Single : A 54 ASN : amide:sc= -5.83! C(o=-5.8!,f=-15!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.71! C(o=-1.7!,f=-4.6!) USER MOD Single : A 60 CYS SG : rot 80:sc= -1.28 USER MOD Single : A 63 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0386) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.07! C(o=-2.1!,f=-2!) USER MOD Single : A 78 THR OG1 : rot -67:sc= 1.19 USER MOD Single : A 82 GLN : amide:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.08 K(o=-2.1,f=-3.4!) USER MOD Single : A 91 SER OG : rot -12:sc= 0.602 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C MET A 1 1.497 -0.997 -2.215 1.00 1.00 C ATOM 4 O MET A 1 1.624 -2.208 -1.985 1.00 1.00 O ATOM 5 CB MET A 1 3.567 -0.393 -0.953 1.00 1.00 C ATOM 6 CG MET A 1 4.407 -0.333 -2.230 1.00 1.00 C ATOM 7 SD MET A 1 5.629 -1.677 -2.234 1.00 1.00 S ATOM 8 CE MET A 1 4.588 -3.050 -2.810 1.00 1.00 C ATOM 0 H1 MET A 1 0.923 0.939 0.145 1.00 1.00 H new ATOM 0 H2 MET A 1 0.590 -0.713 -0.062 1.00 1.00 H new ATOM 0 H3 MET A 1 1.970 -0.226 0.800 1.00 1.00 H new ATOM 0 HA MET A 1 2.098 1.002 -1.660 1.00 1.00 H new ATOM 0 HB2 MET A 1 3.991 0.275 -0.203 1.00 1.00 H new ATOM 0 HB3 MET A 1 3.601 -1.400 -0.538 1.00 1.00 H new ATOM 0 HG2 MET A 1 3.761 -0.415 -3.104 1.00 1.00 H new ATOM 0 HG3 MET A 1 4.913 0.630 -2.297 1.00 1.00 H new ATOM 0 HE1 MET A 1 5.221 -3.886 -3.107 1.00 1.00 H new ATOM 0 HE2 MET A 1 3.924 -3.365 -2.005 1.00 1.00 H new ATOM 0 HE3 MET A 1 3.994 -2.723 -3.664 1.00 1.00 H new ATOM 18 N VAL A 2 0.849 -0.476 -3.273 1.00 1.00 N ATOM 19 CA VAL A 2 0.219 -1.314 -4.278 1.00 1.00 C ATOM 20 C VAL A 2 1.066 -1.300 -5.552 1.00 1.00 C ATOM 21 O VAL A 2 1.331 -2.382 -6.097 1.00 1.00 O ATOM 22 CB VAL A 2 -1.222 -0.856 -4.513 1.00 1.00 C ATOM 23 CG1 VAL A 2 -1.259 0.560 -5.092 1.00 1.00 C ATOM 24 CG2 VAL A 2 -1.969 -1.838 -5.417 1.00 1.00 C ATOM 0 H VAL A 2 0.755 0.525 -3.443 1.00 1.00 H new ATOM 0 HA VAL A 2 0.166 -2.347 -3.935 1.00 1.00 H new ATOM 0 HB VAL A 2 -1.729 -0.837 -3.548 1.00 1.00 H new ATOM 0 HG11 VAL A 2 -2.294 0.862 -5.250 1.00 1.00 H new ATOM 0 HG12 VAL A 2 -0.782 1.250 -4.396 1.00 1.00 H new ATOM 0 HG13 VAL A 2 -0.727 0.578 -6.043 1.00 1.00 H new ATOM 0 HG21 VAL A 2 -2.990 -1.489 -5.568 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -1.462 -1.904 -6.380 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -1.987 -2.822 -4.948 1.00 1.00 H new ATOM 34 N LYS A 3 1.467 -0.095 -5.995 1.00 1.00 N ATOM 35 CA LYS A 3 2.276 0.055 -7.193 1.00 1.00 C ATOM 36 C LYS A 3 3.304 1.167 -6.973 1.00 1.00 C ATOM 37 O LYS A 3 4.507 0.866 -6.974 1.00 1.00 O ATOM 38 CB LYS A 3 1.384 0.275 -8.417 1.00 1.00 C ATOM 39 CG LYS A 3 2.112 1.095 -9.484 1.00 1.00 C ATOM 40 CD LYS A 3 1.570 0.779 -10.881 1.00 1.00 C ATOM 41 CE LYS A 3 2.489 -0.197 -11.617 1.00 1.00 C ATOM 42 NZ LYS A 3 2.358 -0.029 -13.074 1.00 1.00 N ATOM 0 H LYS A 3 1.237 0.784 -5.532 1.00 1.00 H new ATOM 0 HA LYS A 3 2.834 -0.860 -7.394 1.00 1.00 H new ATOM 0 HB2 LYS A 3 1.087 -0.688 -8.833 1.00 1.00 H new ATOM 0 HB3 LYS A 3 0.470 0.789 -8.118 1.00 1.00 H new ATOM 0 HG2 LYS A 3 1.993 2.158 -9.275 1.00 1.00 H new ATOM 0 HG3 LYS A 3 3.180 0.881 -9.447 1.00 1.00 H new ATOM 0 HD2 LYS A 3 0.571 0.352 -10.799 1.00 1.00 H new ATOM 0 HD3 LYS A 3 1.477 1.700 -11.456 1.00 1.00 H new ATOM 0 HE2 LYS A 3 3.523 -0.028 -11.317 1.00 1.00 H new ATOM 0 HE3 LYS A 3 2.239 -1.221 -11.339 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 2.989 -0.699 -13.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 1.374 -0.212 -13.358 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 2.618 0.943 -13.336 1.00 1.00 H new ATOM 56 N PRO A 4 2.819 2.408 -6.792 1.00 1.00 N ATOM 57 CA PRO A 4 3.659 3.573 -6.571 1.00 1.00 C ATOM 58 C PRO A 4 4.223 3.580 -5.149 1.00 1.00 C ATOM 59 O PRO A 4 3.809 2.732 -4.346 1.00 1.00 O ATOM 60 CB PRO A 4 2.763 4.766 -6.861 1.00 1.00 C ATOM 61 CG PRO A 4 1.337 4.244 -6.780 1.00 1.00 C ATOM 62 CD PRO A 4 1.394 2.726 -6.798 1.00 1.00 C ATOM 0 HA PRO A 4 4.537 3.586 -7.216 1.00 1.00 H new ATOM 0 HB2 PRO A 4 2.929 5.564 -6.137 1.00 1.00 H new ATOM 0 HB3 PRO A 4 2.972 5.181 -7.847 1.00 1.00 H new ATOM 0 HG2 PRO A 4 0.853 4.597 -5.870 1.00 1.00 H new ATOM 0 HG3 PRO A 4 0.747 4.614 -7.619 1.00 1.00 H new ATOM 0 HD2 PRO A 4 0.890 2.301 -5.930 1.00 1.00 H new ATOM 0 HD3 PRO A 4 0.902 2.322 -7.683 1.00 1.00 H new ATOM 70 N PRO A 5 5.142 4.522 -4.871 1.00 1.00 N ATOM 71 CA PRO A 5 5.775 4.665 -3.570 1.00 1.00 C ATOM 72 C PRO A 5 4.815 5.295 -2.560 1.00 1.00 C ATOM 73 O PRO A 5 4.200 6.320 -2.891 1.00 1.00 O ATOM 74 CB PRO A 5 7.010 5.514 -3.826 1.00 1.00 C ATOM 75 CG PRO A 5 6.776 6.200 -5.162 1.00 1.00 C ATOM 76 CD PRO A 5 5.608 5.506 -5.843 1.00 1.00 C ATOM 0 HA PRO A 5 6.050 3.708 -3.128 1.00 1.00 H new ATOM 0 HB2 PRO A 5 7.152 6.246 -3.031 1.00 1.00 H new ATOM 0 HB3 PRO A 5 7.908 4.897 -3.856 1.00 1.00 H new ATOM 0 HG2 PRO A 5 6.559 7.258 -5.015 1.00 1.00 H new ATOM 0 HG3 PRO A 5 7.670 6.141 -5.783 1.00 1.00 H new ATOM 0 HD2 PRO A 5 4.820 6.215 -6.097 1.00 1.00 H new ATOM 0 HD3 PRO A 5 5.919 5.028 -6.772 1.00 1.00 H new ATOM 84 N TYR A 6 4.708 4.682 -1.368 1.00 1.00 N ATOM 85 CA TYR A 6 3.809 5.229 -0.365 1.00 1.00 C ATOM 86 C TYR A 6 4.485 6.413 0.328 1.00 1.00 C ATOM 87 O TYR A 6 5.456 6.181 1.063 1.00 1.00 O ATOM 88 CB TYR A 6 3.405 4.132 0.637 1.00 1.00 C ATOM 89 CG TYR A 6 1.958 3.672 0.520 1.00 1.00 C ATOM 90 CD1 TYR A 6 1.499 3.080 -0.679 1.00 1.00 C ATOM 91 CD2 TYR A 6 1.068 3.826 1.608 1.00 1.00 C ATOM 92 CE1 TYR A 6 0.161 2.649 -0.791 1.00 1.00 C ATOM 93 CE2 TYR A 6 -0.271 3.395 1.496 1.00 1.00 C ATOM 94 CZ TYR A 6 -0.726 2.806 0.296 1.00 1.00 C ATOM 95 OH TYR A 6 -2.022 2.389 0.182 1.00 1.00 O ATOM 0 H TYR A 6 5.215 3.841 -1.092 1.00 1.00 H new ATOM 0 HA TYR A 6 2.896 5.589 -0.839 1.00 1.00 H new ATOM 0 HB2 TYR A 6 4.059 3.271 0.497 1.00 1.00 H new ATOM 0 HB3 TYR A 6 3.575 4.501 1.648 1.00 1.00 H new ATOM 0 HD1 TYR A 6 2.175 2.957 -1.512 1.00 1.00 H new ATOM 0 HD2 TYR A 6 1.414 4.275 2.527 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -0.186 2.198 -1.709 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -0.948 3.516 2.329 1.00 1.00 H new ATOM 0 HH TYR A 6 -2.068 1.630 -0.436 1.00 1.00 H new ATOM 105 N SER A 7 3.978 7.635 0.082 1.00 1.00 N ATOM 106 CA SER A 7 4.542 8.836 0.675 1.00 1.00 C ATOM 107 C SER A 7 3.407 9.778 1.082 1.00 1.00 C ATOM 108 O SER A 7 2.549 10.068 0.236 1.00 1.00 O ATOM 109 CB SER A 7 5.497 9.541 -0.289 1.00 1.00 C ATOM 110 OG SER A 7 6.788 8.938 -0.299 1.00 1.00 O ATOM 0 H SER A 7 3.177 7.805 -0.526 1.00 1.00 H new ATOM 0 HA SER A 7 5.118 8.551 1.555 1.00 1.00 H new ATOM 0 HB2 SER A 7 5.079 9.518 -1.295 1.00 1.00 H new ATOM 0 HB3 SER A 7 5.589 10.590 -0.006 1.00 1.00 H new ATOM 0 HG SER A 7 7.368 9.416 -0.928 1.00 1.00 H new ATOM 116 N TYR A 8 3.425 10.230 2.349 1.00 1.00 N ATOM 117 CA TYR A 8 2.373 11.125 2.800 1.00 1.00 C ATOM 118 C TYR A 8 2.701 12.553 2.359 1.00 1.00 C ATOM 119 O TYR A 8 2.008 13.059 1.464 1.00 1.00 O ATOM 120 CB TYR A 8 2.207 11.020 4.327 1.00 1.00 C ATOM 121 CG TYR A 8 1.791 9.643 4.824 1.00 1.00 C ATOM 122 CD1 TYR A 8 2.728 8.584 4.841 1.00 1.00 C ATOM 123 CD2 TYR A 8 0.470 9.414 5.275 1.00 1.00 C ATOM 124 CE1 TYR A 8 2.347 7.307 5.304 1.00 1.00 C ATOM 125 CE2 TYR A 8 0.090 8.136 5.738 1.00 1.00 C ATOM 126 CZ TYR A 8 1.028 7.081 5.752 1.00 1.00 C ATOM 127 OH TYR A 8 0.663 5.842 6.198 1.00 1.00 O ATOM 0 H TYR A 8 4.132 9.996 3.046 1.00 1.00 H new ATOM 0 HA TYR A 8 1.422 10.840 2.350 1.00 1.00 H new ATOM 0 HB2 TYR A 8 3.149 11.294 4.802 1.00 1.00 H new ATOM 0 HB3 TYR A 8 1.463 11.749 4.650 1.00 1.00 H new ATOM 0 HD1 TYR A 8 3.738 8.753 4.499 1.00 1.00 H new ATOM 0 HD2 TYR A 8 -0.250 10.219 5.265 1.00 1.00 H new ATOM 0 HE1 TYR A 8 3.066 6.501 5.316 1.00 1.00 H new ATOM 0 HE2 TYR A 8 -0.919 7.965 6.082 1.00 1.00 H new ATOM 0 HH TYR A 8 -0.278 5.857 6.471 1.00 1.00 H new ATOM 137 N ILE A 9 3.721 13.166 2.985 1.00 1.00 N ATOM 138 CA ILE A 9 4.119 14.525 2.660 1.00 1.00 C ATOM 139 C ILE A 9 4.132 14.698 1.140 1.00 1.00 C ATOM 140 O ILE A 9 3.899 15.823 0.672 1.00 1.00 O ATOM 141 CB ILE A 9 5.452 14.868 3.329 1.00 1.00 C ATOM 142 CG1 ILE A 9 6.619 14.198 2.600 1.00 1.00 C ATOM 143 CG2 ILE A 9 5.426 14.513 4.817 1.00 1.00 C ATOM 144 CD1 ILE A 9 6.665 12.698 2.899 1.00 1.00 C ATOM 0 H ILE A 9 4.279 12.731 3.719 1.00 1.00 H new ATOM 0 HA ILE A 9 3.397 15.238 3.057 1.00 1.00 H new ATOM 0 HB ILE A 9 5.603 15.945 3.258 1.00 1.00 H new ATOM 0 HG12 ILE A 9 6.520 14.355 1.526 1.00 1.00 H new ATOM 0 HG13 ILE A 9 7.557 14.662 2.905 1.00 1.00 H new ATOM 0 HG21 ILE A 9 6.385 14.767 5.268 1.00 1.00 H new ATOM 0 HG22 ILE A 9 4.633 15.074 5.311 1.00 1.00 H new ATOM 0 HG23 ILE A 9 5.242 13.445 4.933 1.00 1.00 H new ATOM 0 HD11 ILE A 9 7.503 12.247 2.368 1.00 1.00 H new ATOM 0 HD12 ILE A 9 6.789 12.544 3.971 1.00 1.00 H new ATOM 0 HD13 ILE A 9 5.735 12.233 2.571 1.00 1.00 H new ATOM 156 N ALA A 10 4.399 13.600 0.411 1.00 1.00 N ATOM 157 CA ALA A 10 4.440 13.631 -1.041 1.00 1.00 C ATOM 158 C ALA A 10 3.025 13.840 -1.583 1.00 1.00 C ATOM 159 O ALA A 10 2.846 14.715 -2.443 1.00 1.00 O ATOM 160 CB ALA A 10 4.907 12.274 -1.572 1.00 1.00 C ATOM 0 H ALA A 10 4.589 12.683 0.816 1.00 1.00 H new ATOM 0 HA ALA A 10 5.112 14.431 -1.350 1.00 1.00 H new ATOM 0 HB1 ALA A 10 4.937 12.300 -2.661 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.903 12.056 -1.187 1.00 1.00 H new ATOM 0 HB3 ALA A 10 4.214 11.498 -1.247 1.00 1.00 H new ATOM 166 N LEU A 11 2.064 13.045 -1.079 1.00 1.00 N ATOM 167 CA LEU A 11 0.679 13.143 -1.510 1.00 1.00 C ATOM 168 C LEU A 11 0.017 14.335 -0.816 1.00 1.00 C ATOM 169 O LEU A 11 -0.958 14.870 -1.364 1.00 1.00 O ATOM 170 CB LEU A 11 -0.048 11.816 -1.281 1.00 1.00 C ATOM 171 CG LEU A 11 -0.511 11.543 0.151 1.00 1.00 C ATOM 172 CD1 LEU A 11 -1.856 12.217 0.430 1.00 1.00 C ATOM 173 CD2 LEU A 11 -0.553 10.041 0.436 1.00 1.00 C ATOM 0 H LEU A 11 2.233 12.330 -0.372 1.00 1.00 H new ATOM 0 HA LEU A 11 0.625 13.328 -2.583 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.919 11.784 -1.936 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.612 11.005 -1.589 1.00 1.00 H new ATOM 0 HG LEU A 11 0.216 11.980 0.835 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.162 12.007 1.455 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.758 13.294 0.294 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.607 11.831 -0.259 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -0.885 9.874 1.461 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -1.246 9.559 -0.253 1.00 1.00 H new ATOM 0 HD23 LEU A 11 0.443 9.618 0.304 1.00 1.00 H new ATOM 185 N ILE A 12 0.549 14.720 0.358 1.00 1.00 N ATOM 186 CA ILE A 12 0.013 15.837 1.117 1.00 1.00 C ATOM 187 C ILE A 12 0.532 17.148 0.522 1.00 1.00 C ATOM 188 O ILE A 12 -0.257 18.098 0.412 1.00 1.00 O ATOM 189 CB ILE A 12 0.323 15.672 2.606 1.00 1.00 C ATOM 190 CG1 ILE A 12 -0.748 14.827 3.299 1.00 1.00 C ATOM 191 CG2 ILE A 12 0.507 17.032 3.282 1.00 1.00 C ATOM 192 CD1 ILE A 12 -0.459 13.333 3.134 1.00 1.00 C ATOM 0 H ILE A 12 1.352 14.265 0.793 1.00 1.00 H new ATOM 0 HA ILE A 12 -1.074 15.861 1.043 1.00 1.00 H new ATOM 0 HB ILE A 12 1.267 15.135 2.701 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -0.786 15.079 4.359 1.00 1.00 H new ATOM 0 HG13 ILE A 12 -1.727 15.060 2.881 1.00 1.00 H new ATOM 0 HG21 ILE A 12 0.726 16.886 4.340 1.00 1.00 H new ATOM 0 HG22 ILE A 12 1.333 17.564 2.810 1.00 1.00 H new ATOM 0 HG23 ILE A 12 -0.407 17.616 3.178 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -1.235 12.755 3.636 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.446 13.080 2.074 1.00 1.00 H new ATOM 0 HD13 ILE A 12 0.510 13.099 3.575 1.00 1.00 H new ATOM 204 N THR A 13 1.826 17.173 0.158 1.00 1.00 N ATOM 205 CA THR A 13 2.441 18.357 -0.419 1.00 1.00 C ATOM 206 C THR A 13 1.587 18.851 -1.589 1.00 1.00 C ATOM 207 O THR A 13 1.440 20.073 -1.736 1.00 1.00 O ATOM 208 CB THR A 13 3.878 18.016 -0.817 1.00 1.00 C ATOM 209 OG1 THR A 13 4.624 18.198 0.383 1.00 1.00 O ATOM 210 CG2 THR A 13 4.476 19.038 -1.786 1.00 1.00 C ATOM 0 H THR A 13 2.458 16.379 0.258 1.00 1.00 H new ATOM 0 HA THR A 13 2.489 19.175 0.300 1.00 1.00 H new ATOM 0 HB THR A 13 3.902 17.026 -1.273 1.00 1.00 H new ATOM 0 HG1 THR A 13 4.417 17.474 1.010 1.00 1.00 H new ATOM 0 HG21 THR A 13 5.497 18.748 -2.036 1.00 1.00 H new ATOM 0 HG22 THR A 13 3.876 19.072 -2.695 1.00 1.00 H new ATOM 0 HG23 THR A 13 4.482 20.022 -1.318 1.00 1.00 H new ATOM 218 N MET A 14 1.051 17.907 -2.383 1.00 1.00 N ATOM 219 CA MET A 14 0.221 18.245 -3.527 1.00 1.00 C ATOM 220 C MET A 14 -1.162 18.679 -3.038 1.00 1.00 C ATOM 221 O MET A 14 -1.786 19.518 -3.704 1.00 1.00 O ATOM 222 CB MET A 14 0.079 17.038 -4.457 1.00 1.00 C ATOM 223 CG MET A 14 -0.491 15.833 -3.707 1.00 1.00 C ATOM 224 SD MET A 14 -1.040 14.567 -4.890 1.00 1.00 S ATOM 225 CE MET A 14 -2.253 13.684 -3.866 1.00 1.00 C ATOM 0 H MET A 14 1.185 16.905 -2.244 1.00 1.00 H new ATOM 0 HA MET A 14 0.691 19.059 -4.078 1.00 1.00 H new ATOM 0 HB2 MET A 14 -0.573 17.293 -5.292 1.00 1.00 H new ATOM 0 HB3 MET A 14 1.051 16.782 -4.878 1.00 1.00 H new ATOM 0 HG2 MET A 14 0.266 15.417 -3.042 1.00 1.00 H new ATOM 0 HG3 MET A 14 -1.328 16.146 -3.082 1.00 1.00 H new ATOM 0 HE1 MET A 14 -1.908 12.665 -3.690 1.00 1.00 H new ATOM 0 HE2 MET A 14 -2.367 14.199 -2.912 1.00 1.00 H new ATOM 0 HE3 MET A 14 -3.213 13.658 -4.381 1.00 1.00 H new ATOM 235 N ALA A 15 -1.606 18.108 -1.904 1.00 1.00 N ATOM 236 CA ALA A 15 -2.902 18.434 -1.335 1.00 1.00 C ATOM 237 C ALA A 15 -2.917 19.907 -0.921 1.00 1.00 C ATOM 238 O ALA A 15 -3.839 20.626 -1.333 1.00 1.00 O ATOM 239 CB ALA A 15 -3.120 17.626 -0.054 1.00 1.00 C ATOM 0 H ALA A 15 -1.076 17.418 -1.371 1.00 1.00 H new ATOM 0 HA ALA A 15 -3.670 18.216 -2.078 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -4.093 17.873 0.371 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -3.084 16.561 -0.285 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -2.338 17.868 0.666 1.00 1.00 H new ATOM 245 N ILE A 16 -1.913 20.319 -0.127 1.00 1.00 N ATOM 246 CA ILE A 16 -1.812 21.693 0.336 1.00 1.00 C ATOM 247 C ILE A 16 -1.717 22.628 -0.872 1.00 1.00 C ATOM 248 O ILE A 16 -2.412 23.654 -0.879 1.00 1.00 O ATOM 249 CB ILE A 16 -0.652 21.842 1.322 1.00 1.00 C ATOM 250 CG1 ILE A 16 -0.980 22.874 2.402 1.00 1.00 C ATOM 251 CG2 ILE A 16 0.651 22.172 0.590 1.00 1.00 C ATOM 252 CD1 ILE A 16 -1.031 24.286 1.815 1.00 1.00 C ATOM 0 H ILE A 16 -1.164 19.710 0.202 1.00 1.00 H new ATOM 0 HA ILE A 16 -2.708 21.976 0.889 1.00 1.00 H new ATOM 0 HB ILE A 16 -0.506 20.886 1.824 1.00 1.00 H new ATOM 0 HG12 ILE A 16 -1.939 22.633 2.861 1.00 1.00 H new ATOM 0 HG13 ILE A 16 -0.229 22.831 3.191 1.00 1.00 H new ATOM 0 HG21 ILE A 16 1.460 22.273 1.314 1.00 1.00 H new ATOM 0 HG22 ILE A 16 0.888 21.371 -0.110 1.00 1.00 H new ATOM 0 HG23 ILE A 16 0.534 23.108 0.044 1.00 1.00 H new ATOM 0 HD11 ILE A 16 -1.266 25.000 2.604 1.00 1.00 H new ATOM 0 HD12 ILE A 16 -0.064 24.534 1.378 1.00 1.00 H new ATOM 0 HD13 ILE A 16 -1.800 24.332 1.044 1.00 1.00 H new ATOM 264 N LEU A 17 -0.872 22.261 -1.852 1.00 1.00 N ATOM 265 CA LEU A 17 -0.690 23.061 -3.051 1.00 1.00 C ATOM 266 C LEU A 17 -2.028 23.190 -3.781 1.00 1.00 C ATOM 267 O LEU A 17 -2.254 24.227 -4.422 1.00 1.00 O ATOM 268 CB LEU A 17 0.430 22.482 -3.918 1.00 1.00 C ATOM 269 CG LEU A 17 1.800 23.148 -3.777 1.00 1.00 C ATOM 270 CD1 LEU A 17 2.322 23.032 -2.344 1.00 1.00 C ATOM 271 CD2 LEU A 17 2.792 22.582 -4.796 1.00 1.00 C ATOM 0 H LEU A 17 -0.308 21.411 -1.826 1.00 1.00 H new ATOM 0 HA LEU A 17 -0.370 24.070 -2.790 1.00 1.00 H new ATOM 0 HB2 LEU A 17 0.536 21.424 -3.680 1.00 1.00 H new ATOM 0 HB3 LEU A 17 0.123 22.545 -4.962 1.00 1.00 H new ATOM 0 HG LEU A 17 1.687 24.210 -3.993 1.00 1.00 H new ATOM 0 HD11 LEU A 17 3.297 23.514 -2.272 1.00 1.00 H new ATOM 0 HD12 LEU A 17 1.625 23.520 -1.662 1.00 1.00 H new ATOM 0 HD13 LEU A 17 2.416 21.980 -2.075 1.00 1.00 H new ATOM 0 HD21 LEU A 17 3.758 23.072 -4.675 1.00 1.00 H new ATOM 0 HD22 LEU A 17 2.906 21.510 -4.636 1.00 1.00 H new ATOM 0 HD23 LEU A 17 2.419 22.760 -5.805 1.00 1.00 H new ATOM 283 N GLN A 18 -2.876 22.151 -3.672 1.00 1.00 N ATOM 284 CA GLN A 18 -4.178 22.149 -4.317 1.00 1.00 C ATOM 285 C GLN A 18 -4.905 23.456 -3.994 1.00 1.00 C ATOM 286 O GLN A 18 -5.813 23.829 -4.751 1.00 1.00 O ATOM 287 CB GLN A 18 -5.012 20.938 -3.895 1.00 1.00 C ATOM 288 CG GLN A 18 -5.866 21.262 -2.667 1.00 1.00 C ATOM 289 CD GLN A 18 -7.296 21.626 -3.075 1.00 1.00 C ATOM 290 OE1 GLN A 18 -8.094 20.784 -3.454 1.00 1.00 O ATOM 291 NE2 GLN A 18 -7.573 22.923 -2.976 1.00 1.00 N ATOM 0 H GLN A 18 -2.671 21.306 -3.139 1.00 1.00 H new ATOM 0 HA GLN A 18 -4.034 22.075 -5.395 1.00 1.00 H new ATOM 0 HB2 GLN A 18 -5.656 20.630 -4.719 1.00 1.00 H new ATOM 0 HB3 GLN A 18 -4.354 20.098 -3.673 1.00 1.00 H new ATOM 0 HG2 GLN A 18 -5.883 20.404 -1.995 1.00 1.00 H new ATOM 0 HG3 GLN A 18 -5.419 22.090 -2.117 1.00 1.00 H new ATOM 0 HE21 GLN A 18 -6.858 23.574 -2.651 1.00 1.00 H new ATOM 0 HE22 GLN A 18 -8.501 23.267 -3.225 1.00 1.00 H new ATOM 300 N SER A 19 -4.499 24.115 -2.894 1.00 1.00 N ATOM 301 CA SER A 19 -5.108 25.367 -2.477 1.00 1.00 C ATOM 302 C SER A 19 -4.106 26.506 -2.674 1.00 1.00 C ATOM 303 O SER A 19 -3.308 26.754 -1.758 1.00 1.00 O ATOM 304 CB SER A 19 -5.566 25.309 -1.018 1.00 1.00 C ATOM 305 OG SER A 19 -6.670 24.426 -0.840 1.00 1.00 O ATOM 0 H SER A 19 -3.749 23.791 -2.284 1.00 1.00 H new ATOM 0 HA SER A 19 -5.992 25.544 -3.090 1.00 1.00 H new ATOM 0 HB2 SER A 19 -4.736 24.983 -0.390 1.00 1.00 H new ATOM 0 HB3 SER A 19 -5.844 26.309 -0.685 1.00 1.00 H new ATOM 0 HG SER A 19 -7.416 24.913 -0.432 1.00 1.00 H new ATOM 311 N PRO A 20 -4.166 27.165 -3.845 1.00 1.00 N ATOM 312 CA PRO A 20 -3.287 28.270 -4.190 1.00 1.00 C ATOM 313 C PRO A 20 -3.691 29.544 -3.446 1.00 1.00 C ATOM 314 O PRO A 20 -3.163 30.615 -3.780 1.00 1.00 O ATOM 315 CB PRO A 20 -3.397 28.403 -5.700 1.00 1.00 C ATOM 316 CG PRO A 20 -4.676 27.681 -6.090 1.00 1.00 C ATOM 317 CD PRO A 20 -5.120 26.844 -4.903 1.00 1.00 C ATOM 0 HA PRO A 20 -2.253 28.094 -3.894 1.00 1.00 H new ATOM 0 HB2 PRO A 20 -3.434 29.451 -5.998 1.00 1.00 H new ATOM 0 HB3 PRO A 20 -2.532 27.961 -6.195 1.00 1.00 H new ATOM 0 HG2 PRO A 20 -5.451 28.398 -6.363 1.00 1.00 H new ATOM 0 HG3 PRO A 20 -4.506 27.048 -6.961 1.00 1.00 H new ATOM 0 HD2 PRO A 20 -6.139 27.089 -4.605 1.00 1.00 H new ATOM 0 HD3 PRO A 20 -5.105 25.780 -5.141 1.00 1.00 H new ATOM 325 N GLN A 21 -4.606 29.407 -2.469 1.00 1.00 N ATOM 326 CA GLN A 21 -5.074 30.539 -1.688 1.00 1.00 C ATOM 327 C GLN A 21 -4.690 30.334 -0.221 1.00 1.00 C ATOM 328 O GLN A 21 -3.700 30.936 0.219 1.00 1.00 O ATOM 329 CB GLN A 21 -6.583 30.739 -1.837 1.00 1.00 C ATOM 330 CG GLN A 21 -6.898 32.112 -2.434 1.00 1.00 C ATOM 331 CD GLN A 21 -6.298 32.251 -3.835 1.00 1.00 C ATOM 332 OE1 GLN A 21 -5.339 32.972 -4.058 1.00 1.00 O ATOM 333 NE2 GLN A 21 -6.913 31.524 -4.762 1.00 1.00 N ATOM 0 H GLN A 21 -5.030 28.516 -2.210 1.00 1.00 H new ATOM 0 HA GLN A 21 -4.596 31.444 -2.062 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -6.996 29.958 -2.475 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -7.064 30.643 -0.864 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -7.978 32.253 -2.481 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -6.502 32.894 -1.786 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.711 30.941 -4.507 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -6.587 31.548 -5.728 1.00 1.00 H new ATOM 342 N LYS A 22 -5.469 29.503 0.495 1.00 1.00 N ATOM 343 CA LYS A 22 -5.212 29.225 1.898 1.00 1.00 C ATOM 344 C LYS A 22 -6.455 28.591 2.524 1.00 1.00 C ATOM 345 O LYS A 22 -6.775 28.929 3.673 1.00 1.00 O ATOM 346 CB LYS A 22 -4.738 30.490 2.617 1.00 1.00 C ATOM 347 CG LYS A 22 -3.233 30.436 2.886 1.00 1.00 C ATOM 348 CD LYS A 22 -2.705 31.806 3.320 1.00 1.00 C ATOM 349 CE LYS A 22 -1.443 32.179 2.539 1.00 1.00 C ATOM 350 NZ LYS A 22 -0.889 33.450 3.033 1.00 1.00 N ATOM 0 H LYS A 22 -6.281 29.017 0.113 1.00 1.00 H new ATOM 0 HA LYS A 22 -4.400 28.505 2.001 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -4.972 31.366 2.012 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -5.276 30.601 3.559 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -3.025 29.699 3.662 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -2.711 30.109 1.987 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -3.473 32.563 3.161 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -2.486 31.794 4.388 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.699 31.388 2.638 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -1.677 32.265 1.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -0.346 33.910 2.275 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -1.665 34.075 3.331 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -0.263 33.265 3.843 1.00 1.00 H new ATOM 364 N LYS A 23 -7.121 27.699 1.768 1.00 1.00 N ATOM 365 CA LYS A 23 -8.318 27.026 2.246 1.00 1.00 C ATOM 366 C LYS A 23 -8.264 25.552 1.842 1.00 1.00 C ATOM 367 O LYS A 23 -8.370 25.265 0.641 1.00 1.00 O ATOM 368 CB LYS A 23 -9.572 27.753 1.757 1.00 1.00 C ATOM 369 CG LYS A 23 -9.995 28.842 2.744 1.00 1.00 C ATOM 370 CD LYS A 23 -9.496 30.216 2.293 1.00 1.00 C ATOM 371 CE LYS A 23 -10.254 31.337 3.007 1.00 1.00 C ATOM 372 NZ LYS A 23 -9.755 31.502 4.382 1.00 1.00 N ATOM 0 H LYS A 23 -6.841 27.435 0.823 1.00 1.00 H new ATOM 0 HA LYS A 23 -8.364 27.057 3.335 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -9.381 28.197 0.780 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -10.385 27.038 1.629 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -11.081 28.857 2.831 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -9.599 28.614 3.734 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -8.429 30.305 2.499 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -9.622 30.317 1.215 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -10.137 32.271 2.457 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -11.320 31.109 3.025 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -10.280 32.267 4.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -9.889 30.615 4.909 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -8.743 31.741 4.358 1.00 1.00 H new ATOM 386 N LEU A 24 -8.104 24.660 2.837 1.00 1.00 N ATOM 387 CA LEU A 24 -8.038 23.230 2.586 1.00 1.00 C ATOM 388 C LEU A 24 -9.150 22.528 3.367 1.00 1.00 C ATOM 389 O LEU A 24 -9.131 22.590 4.605 1.00 1.00 O ATOM 390 CB LEU A 24 -6.637 22.697 2.895 1.00 1.00 C ATOM 391 CG LEU A 24 -5.561 22.992 1.849 1.00 1.00 C ATOM 392 CD1 LEU A 24 -4.220 23.307 2.516 1.00 1.00 C ATOM 393 CD2 LEU A 24 -5.445 21.846 0.843 1.00 1.00 C ATOM 0 H LEU A 24 -8.019 24.917 3.820 1.00 1.00 H new ATOM 0 HA LEU A 24 -8.208 23.019 1.530 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -6.313 23.115 3.848 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -6.702 21.617 3.026 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.861 23.880 1.292 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -3.472 23.513 1.750 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -4.330 24.180 3.160 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -3.901 22.453 3.114 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.673 22.082 0.111 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.180 20.927 1.367 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -6.399 21.711 0.334 1.00 1.00 H new ATOM 405 N THR A 25 -10.082 21.885 2.641 1.00 1.00 N ATOM 406 CA THR A 25 -11.190 21.179 3.262 1.00 1.00 C ATOM 407 C THR A 25 -10.890 19.679 3.274 1.00 1.00 C ATOM 408 O THR A 25 -10.773 19.092 2.188 1.00 1.00 O ATOM 409 CB THR A 25 -12.476 21.536 2.515 1.00 1.00 C ATOM 410 OG1 THR A 25 -12.395 20.787 1.306 1.00 1.00 O ATOM 411 CG2 THR A 25 -12.499 22.993 2.050 1.00 1.00 C ATOM 0 H THR A 25 -10.080 21.846 1.622 1.00 1.00 H new ATOM 0 HA THR A 25 -11.325 21.478 4.301 1.00 1.00 H new ATOM 0 HB THR A 25 -13.334 21.348 3.161 1.00 1.00 H new ATOM 0 HG1 THR A 25 -11.552 20.287 1.287 1.00 1.00 H new ATOM 0 HG21 THR A 25 -13.433 23.193 1.526 1.00 1.00 H new ATOM 0 HG22 THR A 25 -12.420 23.652 2.915 1.00 1.00 H new ATOM 0 HG23 THR A 25 -11.660 23.174 1.378 1.00 1.00 H new ATOM 419 N LEU A 26 -10.775 19.097 4.481 1.00 1.00 N ATOM 420 CA LEU A 26 -10.492 17.680 4.629 1.00 1.00 C ATOM 421 C LEU A 26 -11.418 16.881 3.711 1.00 1.00 C ATOM 422 O LEU A 26 -10.959 15.887 3.129 1.00 1.00 O ATOM 423 CB LEU A 26 -10.579 17.267 6.100 1.00 1.00 C ATOM 424 CG LEU A 26 -9.836 15.985 6.482 1.00 1.00 C ATOM 425 CD1 LEU A 26 -9.370 16.035 7.938 1.00 1.00 C ATOM 426 CD2 LEU A 26 -10.691 14.750 6.195 1.00 1.00 C ATOM 0 H LEU A 26 -10.876 19.598 5.364 1.00 1.00 H new ATOM 0 HA LEU A 26 -9.470 17.462 4.320 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -10.191 18.083 6.709 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -11.630 17.146 6.361 1.00 1.00 H new ATOM 0 HG LEU A 26 -8.943 15.909 5.861 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -8.845 15.112 8.184 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -8.698 16.882 8.076 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -10.234 16.146 8.593 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -10.140 13.853 6.475 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -11.614 14.804 6.772 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -10.930 14.712 5.132 1.00 1.00 H new ATOM 438 N SER A 27 -12.684 17.322 3.600 1.00 1.00 N ATOM 439 CA SER A 27 -13.663 16.653 2.760 1.00 1.00 C ATOM 440 C SER A 27 -13.194 16.697 1.304 1.00 1.00 C ATOM 441 O SER A 27 -13.280 15.663 0.625 1.00 1.00 O ATOM 442 CB SER A 27 -15.046 17.293 2.892 1.00 1.00 C ATOM 443 OG SER A 27 -15.619 17.065 4.176 1.00 1.00 O ATOM 0 H SER A 27 -13.043 18.143 4.088 1.00 1.00 H new ATOM 0 HA SER A 27 -13.750 15.617 3.088 1.00 1.00 H new ATOM 0 HB2 SER A 27 -14.967 18.366 2.715 1.00 1.00 H new ATOM 0 HB3 SER A 27 -15.706 16.891 2.124 1.00 1.00 H new ATOM 0 HG SER A 27 -16.501 17.491 4.221 1.00 1.00 H new ATOM 449 N GLY A 28 -12.715 17.873 0.861 1.00 1.00 N ATOM 450 CA GLY A 28 -12.238 18.047 -0.501 1.00 1.00 C ATOM 451 C GLY A 28 -10.884 17.351 -0.655 1.00 1.00 C ATOM 452 O GLY A 28 -10.654 16.735 -1.706 1.00 1.00 O ATOM 0 H GLY A 28 -12.653 18.713 1.437 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -12.957 17.630 -1.206 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -12.143 19.108 -0.733 1.00 1.00 H new ATOM 456 N ILE A 29 -10.030 17.461 0.378 1.00 1.00 N ATOM 457 CA ILE A 29 -8.713 16.847 0.356 1.00 1.00 C ATOM 458 C ILE A 29 -8.859 15.345 0.102 1.00 1.00 C ATOM 459 O ILE A 29 -8.188 14.833 -0.805 1.00 1.00 O ATOM 460 CB ILE A 29 -7.945 17.182 1.637 1.00 1.00 C ATOM 461 CG1 ILE A 29 -7.190 18.505 1.492 1.00 1.00 C ATOM 462 CG2 ILE A 29 -7.017 16.033 2.036 1.00 1.00 C ATOM 463 CD1 ILE A 29 -8.139 19.697 1.636 1.00 1.00 C ATOM 0 H ILE A 29 -10.239 17.973 1.235 1.00 1.00 H new ATOM 0 HA ILE A 29 -8.117 17.252 -0.462 1.00 1.00 H new ATOM 0 HB ILE A 29 -8.666 17.309 2.445 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -6.407 18.566 2.248 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -6.698 18.543 0.520 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -6.483 16.297 2.949 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -7.606 15.132 2.207 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -6.299 15.850 1.236 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -7.577 20.625 1.529 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -8.906 19.646 0.864 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -8.611 19.670 2.618 1.00 1.00 H new ATOM 475 N CYS A 30 -9.719 14.681 0.896 1.00 1.00 N ATOM 476 CA CYS A 30 -9.948 13.253 0.757 1.00 1.00 C ATOM 477 C CYS A 30 -10.392 12.949 -0.675 1.00 1.00 C ATOM 478 O CYS A 30 -9.790 12.067 -1.304 1.00 1.00 O ATOM 479 CB CYS A 30 -10.964 12.755 1.787 1.00 1.00 C ATOM 480 SG CYS A 30 -11.487 11.029 1.568 1.00 1.00 S ATOM 0 H CYS A 30 -10.262 15.122 1.638 1.00 1.00 H new ATOM 0 HA CYS A 30 -9.019 12.718 0.952 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -10.535 12.866 2.783 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -11.845 13.395 1.746 1.00 1.00 H new ATOM 0 HG CYS A 30 -12.344 10.714 2.494 1.00 1.00 H new ATOM 486 N GLU A 31 -11.420 13.674 -1.154 1.00 1.00 N ATOM 487 CA GLU A 31 -11.936 13.482 -2.498 1.00 1.00 C ATOM 488 C GLU A 31 -10.866 13.888 -3.514 1.00 1.00 C ATOM 489 O GLU A 31 -10.885 13.357 -4.634 1.00 1.00 O ATOM 490 CB GLU A 31 -13.229 14.269 -2.721 1.00 1.00 C ATOM 491 CG GLU A 31 -13.762 14.060 -4.140 1.00 1.00 C ATOM 492 CD GLU A 31 -14.489 12.719 -4.260 1.00 1.00 C ATOM 493 OE1 GLU A 31 -15.185 12.382 -3.228 1.00 1.00 O ATOM 494 OE2 GLU A 31 -14.382 12.046 -5.296 1.00 1.00 O ATOM 0 H GLU A 31 -11.902 14.397 -0.619 1.00 1.00 H new ATOM 0 HA GLU A 31 -12.178 12.428 -2.632 1.00 1.00 H new ATOM 0 HB2 GLU A 31 -13.980 13.954 -1.997 1.00 1.00 H new ATOM 0 HB3 GLU A 31 -13.047 15.330 -2.550 1.00 1.00 H new ATOM 0 HG2 GLU A 31 -14.442 14.871 -4.400 1.00 1.00 H new ATOM 0 HG3 GLU A 31 -12.937 14.095 -4.851 1.00 1.00 H new ATOM 501 N PHE A 32 -9.969 14.805 -3.110 1.00 1.00 N ATOM 502 CA PHE A 32 -8.903 15.274 -3.979 1.00 1.00 C ATOM 503 C PHE A 32 -7.896 14.144 -4.200 1.00 1.00 C ATOM 504 O PHE A 32 -7.408 14.002 -5.330 1.00 1.00 O ATOM 505 CB PHE A 32 -8.222 16.496 -3.332 1.00 1.00 C ATOM 506 CG PHE A 32 -6.721 16.588 -3.575 1.00 1.00 C ATOM 507 CD1 PHE A 32 -6.226 17.152 -4.775 1.00 1.00 C ATOM 508 CD2 PHE A 32 -5.814 16.105 -2.604 1.00 1.00 C ATOM 509 CE1 PHE A 32 -4.834 17.232 -4.999 1.00 1.00 C ATOM 510 CE2 PHE A 32 -4.424 16.186 -2.829 1.00 1.00 C ATOM 511 CZ PHE A 32 -3.933 16.750 -4.026 1.00 1.00 C ATOM 0 H PHE A 32 -9.971 15.230 -2.183 1.00 1.00 H new ATOM 0 HA PHE A 32 -9.309 15.571 -4.946 1.00 1.00 H new ATOM 0 HB2 PHE A 32 -8.694 17.402 -3.712 1.00 1.00 H new ATOM 0 HB3 PHE A 32 -8.402 16.469 -2.257 1.00 1.00 H new ATOM 0 HD1 PHE A 32 -6.914 17.522 -5.521 1.00 1.00 H new ATOM 0 HD2 PHE A 32 -6.187 15.673 -1.687 1.00 1.00 H new ATOM 0 HE1 PHE A 32 -4.459 17.662 -5.916 1.00 1.00 H new ATOM 0 HE2 PHE A 32 -3.735 15.816 -2.085 1.00 1.00 H new ATOM 0 HZ PHE A 32 -2.868 16.813 -4.197 1.00 1.00 H new ATOM 521 N ILE A 33 -7.611 13.375 -3.134 1.00 1.00 N ATOM 522 CA ILE A 33 -6.671 12.269 -3.211 1.00 1.00 C ATOM 523 C ILE A 33 -7.231 11.194 -4.145 1.00 1.00 C ATOM 524 O ILE A 33 -6.592 10.911 -5.168 1.00 1.00 O ATOM 525 CB ILE A 33 -6.334 11.753 -1.811 1.00 1.00 C ATOM 526 CG1 ILE A 33 -5.662 12.842 -0.972 1.00 1.00 C ATOM 527 CG2 ILE A 33 -5.488 10.481 -1.884 1.00 1.00 C ATOM 528 CD1 ILE A 33 -4.428 13.399 -1.685 1.00 1.00 C ATOM 0 H ILE A 33 -8.025 13.509 -2.212 1.00 1.00 H new ATOM 0 HA ILE A 33 -5.725 12.602 -3.638 1.00 1.00 H new ATOM 0 HB ILE A 33 -7.266 11.491 -1.310 1.00 1.00 H new ATOM 0 HG12 ILE A 33 -6.371 13.648 -0.780 1.00 1.00 H new ATOM 0 HG13 ILE A 33 -5.374 12.434 -0.003 1.00 1.00 H new ATOM 0 HG21 ILE A 33 -5.263 10.136 -0.875 1.00 1.00 H new ATOM 0 HG22 ILE A 33 -6.040 9.707 -2.418 1.00 1.00 H new ATOM 0 HG23 ILE A 33 -4.558 10.692 -2.411 1.00 1.00 H new ATOM 0 HD11 ILE A 33 -3.969 14.171 -1.068 1.00 1.00 H new ATOM 0 HD12 ILE A 33 -3.711 12.595 -1.853 1.00 1.00 H new ATOM 0 HD13 ILE A 33 -4.724 13.828 -2.642 1.00 1.00 H new ATOM 540 N SER A 34 -8.395 10.627 -3.780 1.00 1.00 N ATOM 541 CA SER A 34 -9.032 9.594 -4.579 1.00 1.00 C ATOM 542 C SER A 34 -9.070 10.039 -6.043 1.00 1.00 C ATOM 543 O SER A 34 -9.169 9.169 -6.921 1.00 1.00 O ATOM 544 CB SER A 34 -10.446 9.292 -4.080 1.00 1.00 C ATOM 545 OG SER A 34 -11.361 10.336 -4.402 1.00 1.00 O ATOM 0 H SER A 34 -8.906 10.876 -2.933 1.00 1.00 H new ATOM 0 HA SER A 34 -8.450 8.677 -4.487 1.00 1.00 H new ATOM 0 HB2 SER A 34 -10.794 8.357 -4.520 1.00 1.00 H new ATOM 0 HB3 SER A 34 -10.426 9.148 -3.000 1.00 1.00 H new ATOM 0 HG SER A 34 -10.892 11.197 -4.392 1.00 1.00 H new ATOM 551 N ASN A 35 -8.991 11.362 -6.273 1.00 1.00 N ATOM 552 CA ASN A 35 -9.016 11.913 -7.617 1.00 1.00 C ATOM 553 C ASN A 35 -7.846 11.340 -8.420 1.00 1.00 C ATOM 554 O ASN A 35 -8.028 11.071 -9.616 1.00 1.00 O ATOM 555 CB ASN A 35 -8.871 13.436 -7.591 1.00 1.00 C ATOM 556 CG ASN A 35 -9.739 14.087 -8.669 1.00 1.00 C ATOM 557 OD1 ASN A 35 -10.189 13.452 -9.608 1.00 1.00 O ATOM 558 ND2 ASN A 35 -9.948 15.387 -8.483 1.00 1.00 N ATOM 0 H ASN A 35 -8.909 12.062 -5.535 1.00 1.00 H new ATOM 0 HA ASN A 35 -9.971 11.650 -8.072 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -9.157 13.816 -6.610 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -7.827 13.708 -7.746 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -10.515 15.913 -9.148 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -9.542 15.858 -7.675 1.00 1.00 H new ATOM 565 N ARG A 36 -6.688 11.169 -7.758 1.00 1.00 N ATOM 566 CA ARG A 36 -5.503 10.634 -8.406 1.00 1.00 C ATOM 567 C ARG A 36 -4.840 9.610 -7.482 1.00 1.00 C ATOM 568 O ARG A 36 -3.662 9.293 -7.701 1.00 1.00 O ATOM 569 CB ARG A 36 -4.496 11.737 -8.738 1.00 1.00 C ATOM 570 CG ARG A 36 -4.054 12.476 -7.473 1.00 1.00 C ATOM 571 CD ARG A 36 -2.531 12.462 -7.334 1.00 1.00 C ATOM 572 NE ARG A 36 -1.915 13.240 -8.432 1.00 1.00 N ATOM 573 CZ ARG A 36 -1.954 14.587 -8.521 1.00 1.00 C ATOM 574 NH1 ARG A 36 -2.585 15.282 -7.565 1.00 1.00 N ATOM 575 NH2 ARG A 36 -1.371 15.218 -9.549 1.00 1.00 N ATOM 0 H ARG A 36 -6.559 11.398 -6.772 1.00 1.00 H new ATOM 0 HA ARG A 36 -5.812 10.163 -9.339 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -3.627 11.304 -9.233 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -4.942 12.443 -9.438 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -4.410 13.506 -7.506 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -4.507 12.010 -6.598 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -2.242 12.884 -6.372 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -2.165 11.435 -7.355 1.00 1.00 H new ATOM 0 HE ARG A 36 -1.430 12.726 -9.168 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -3.026 14.793 -6.786 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -2.624 16.300 -7.616 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -0.893 14.681 -10.272 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -1.405 16.236 -9.608 1.00 1.00 H new ATOM 589 N PHE A 37 -5.597 9.120 -6.484 1.00 1.00 N ATOM 590 CA PHE A 37 -5.087 8.142 -5.539 1.00 1.00 C ATOM 591 C PHE A 37 -6.183 7.121 -5.226 1.00 1.00 C ATOM 592 O PHE A 37 -6.443 6.881 -4.038 1.00 1.00 O ATOM 593 CB PHE A 37 -4.631 8.865 -4.256 1.00 1.00 C ATOM 594 CG PHE A 37 -3.129 9.096 -4.157 1.00 1.00 C ATOM 595 CD1 PHE A 37 -2.475 9.921 -5.101 1.00 1.00 C ATOM 596 CD2 PHE A 37 -2.381 8.493 -3.118 1.00 1.00 C ATOM 597 CE1 PHE A 37 -1.084 10.140 -5.008 1.00 1.00 C ATOM 598 CE2 PHE A 37 -0.990 8.713 -3.027 1.00 1.00 C ATOM 599 CZ PHE A 37 -0.341 9.536 -3.972 1.00 1.00 C ATOM 0 H PHE A 37 -6.566 9.394 -6.321 1.00 1.00 H new ATOM 0 HA PHE A 37 -4.233 7.616 -5.966 1.00 1.00 H new ATOM 0 HB2 PHE A 37 -5.138 9.828 -4.198 1.00 1.00 H new ATOM 0 HB3 PHE A 37 -4.953 8.283 -3.393 1.00 1.00 H new ATOM 0 HD1 PHE A 37 -3.041 10.385 -5.895 1.00 1.00 H new ATOM 0 HD2 PHE A 37 -2.876 7.863 -2.393 1.00 1.00 H new ATOM 0 HE1 PHE A 37 -0.588 10.771 -5.731 1.00 1.00 H new ATOM 0 HE2 PHE A 37 -0.422 8.251 -2.233 1.00 1.00 H new ATOM 0 HZ PHE A 37 0.724 9.703 -3.902 1.00 1.00 H new ATOM 609 N PRO A 38 -6.792 6.550 -6.280 1.00 1.00 N ATOM 610 CA PRO A 38 -7.851 5.563 -6.157 1.00 1.00 C ATOM 611 C PRO A 38 -7.287 4.203 -5.740 1.00 1.00 C ATOM 612 O PRO A 38 -7.843 3.593 -4.815 1.00 1.00 O ATOM 613 CB PRO A 38 -8.523 5.534 -7.520 1.00 1.00 C ATOM 614 CG PRO A 38 -7.531 6.159 -8.487 1.00 1.00 C ATOM 615 CD PRO A 38 -6.458 6.858 -7.668 1.00 1.00 C ATOM 0 HA PRO A 38 -8.571 5.814 -5.378 1.00 1.00 H new ATOM 0 HB2 PRO A 38 -8.765 4.513 -7.814 1.00 1.00 H new ATOM 0 HB3 PRO A 38 -9.459 6.092 -7.506 1.00 1.00 H new ATOM 0 HG2 PRO A 38 -7.087 5.395 -9.125 1.00 1.00 H new ATOM 0 HG3 PRO A 38 -8.034 6.870 -9.143 1.00 1.00 H new ATOM 0 HD2 PRO A 38 -5.463 6.495 -7.926 1.00 1.00 H new ATOM 0 HD3 PRO A 38 -6.461 7.933 -7.847 1.00 1.00 H new ATOM 623 N TYR A 39 -6.212 3.763 -6.418 1.00 1.00 N ATOM 624 CA TYR A 39 -5.631 2.477 -6.073 1.00 1.00 C ATOM 625 C TYR A 39 -5.117 2.524 -4.633 1.00 1.00 C ATOM 626 O TYR A 39 -4.909 1.448 -4.054 1.00 1.00 O ATOM 627 CB TYR A 39 -4.514 2.117 -7.069 1.00 1.00 C ATOM 628 CG TYR A 39 -4.530 0.669 -7.540 1.00 1.00 C ATOM 629 CD1 TYR A 39 -4.816 -0.369 -6.624 1.00 1.00 C ATOM 630 CD2 TYR A 39 -4.266 0.353 -8.893 1.00 1.00 C ATOM 631 CE1 TYR A 39 -4.835 -1.712 -7.056 1.00 1.00 C ATOM 632 CE2 TYR A 39 -4.286 -0.990 -9.325 1.00 1.00 C ATOM 633 CZ TYR A 39 -4.569 -2.024 -8.407 1.00 1.00 C ATOM 634 OH TYR A 39 -4.588 -3.326 -8.821 1.00 1.00 O ATOM 0 H TYR A 39 -5.751 4.264 -7.177 1.00 1.00 H new ATOM 0 HA TYR A 39 -6.389 1.696 -6.138 1.00 1.00 H new ATOM 0 HB2 TYR A 39 -4.596 2.769 -7.938 1.00 1.00 H new ATOM 0 HB3 TYR A 39 -3.550 2.324 -6.605 1.00 1.00 H new ATOM 0 HD1 TYR A 39 -5.021 -0.133 -5.590 1.00 1.00 H new ATOM 0 HD2 TYR A 39 -4.048 1.142 -9.598 1.00 1.00 H new ATOM 0 HE1 TYR A 39 -5.053 -2.502 -6.353 1.00 1.00 H new ATOM 0 HE2 TYR A 39 -4.085 -1.227 -10.359 1.00 1.00 H new ATOM 0 HH TYR A 39 -4.386 -3.368 -9.779 1.00 1.00 H new ATOM 644 N TYR A 40 -4.918 3.741 -4.095 1.00 1.00 N ATOM 645 CA TYR A 40 -4.417 3.844 -2.736 1.00 1.00 C ATOM 646 C TYR A 40 -5.581 3.690 -1.755 1.00 1.00 C ATOM 647 O TYR A 40 -5.465 2.864 -0.838 1.00 1.00 O ATOM 648 CB TYR A 40 -3.679 5.181 -2.543 1.00 1.00 C ATOM 649 CG TYR A 40 -2.161 5.075 -2.580 1.00 1.00 C ATOM 650 CD1 TYR A 40 -1.540 4.085 -3.376 1.00 1.00 C ATOM 651 CD2 TYR A 40 -1.363 5.966 -1.825 1.00 1.00 C ATOM 652 CE1 TYR A 40 -0.133 3.985 -3.415 1.00 1.00 C ATOM 653 CE2 TYR A 40 0.044 5.866 -1.865 1.00 1.00 C ATOM 654 CZ TYR A 40 0.661 4.874 -2.660 1.00 1.00 C ATOM 655 OH TYR A 40 2.022 4.773 -2.700 1.00 1.00 O ATOM 0 H TYR A 40 -5.092 4.628 -4.568 1.00 1.00 H new ATOM 0 HA TYR A 40 -3.700 3.046 -2.542 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -4.001 5.875 -3.320 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -3.977 5.612 -1.587 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -2.144 3.403 -3.956 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -1.832 6.725 -1.216 1.00 1.00 H new ATOM 0 HE1 TYR A 40 0.337 3.227 -4.024 1.00 1.00 H new ATOM 0 HE2 TYR A 40 0.650 6.548 -1.287 1.00 1.00 H new ATOM 0 HH TYR A 40 2.410 5.652 -2.892 1.00 1.00 H new ATOM 665 N ARG A 41 -6.655 4.475 -1.954 1.00 1.00 N ATOM 666 CA ARG A 41 -7.817 4.426 -1.083 1.00 1.00 C ATOM 667 C ARG A 41 -8.441 3.031 -1.150 1.00 1.00 C ATOM 668 O ARG A 41 -8.723 2.459 -0.087 1.00 1.00 O ATOM 669 CB ARG A 41 -8.866 5.466 -1.483 1.00 1.00 C ATOM 670 CG ARG A 41 -10.094 5.383 -0.575 1.00 1.00 C ATOM 671 CD ARG A 41 -11.352 5.853 -1.309 1.00 1.00 C ATOM 672 NE ARG A 41 -12.525 5.076 -0.852 1.00 1.00 N ATOM 673 CZ ARG A 41 -13.698 5.015 -1.517 1.00 1.00 C ATOM 674 NH1 ARG A 41 -13.830 5.693 -2.665 1.00 1.00 N ATOM 675 NH2 ARG A 41 -14.716 4.288 -1.036 1.00 1.00 N ATOM 0 H ARG A 41 -6.731 5.149 -2.716 1.00 1.00 H new ATOM 0 HA ARG A 41 -7.488 4.649 -0.068 1.00 1.00 H new ATOM 0 HB2 ARG A 41 -8.433 6.465 -1.425 1.00 1.00 H new ATOM 0 HB3 ARG A 41 -9.164 5.307 -2.519 1.00 1.00 H new ATOM 0 HG2 ARG A 41 -10.230 4.357 -0.234 1.00 1.00 H new ATOM 0 HG3 ARG A 41 -9.936 5.996 0.313 1.00 1.00 H new ATOM 0 HD2 ARG A 41 -11.515 6.915 -1.125 1.00 1.00 H new ATOM 0 HD3 ARG A 41 -11.222 5.732 -2.384 1.00 1.00 H new ATOM 0 HE ARG A 41 -12.442 4.554 0.020 1.00 1.00 H new ATOM 0 HH11 ARG A 41 -13.051 6.245 -3.024 1.00 1.00 H new ATOM 0 HH12 ARG A 41 -14.710 5.658 -3.180 1.00 1.00 H new ATOM 0 HH21 ARG A 41 -14.608 3.775 -0.161 1.00 1.00 H new ATOM 0 HH22 ARG A 41 -15.599 4.247 -1.545 1.00 1.00 H new ATOM 689 N GLU A 42 -8.641 2.519 -2.378 1.00 1.00 N ATOM 690 CA GLU A 42 -9.226 1.204 -2.578 1.00 1.00 C ATOM 691 C GLU A 42 -8.272 0.138 -2.034 1.00 1.00 C ATOM 692 O GLU A 42 -8.725 -0.989 -1.789 1.00 1.00 O ATOM 693 CB GLU A 42 -9.547 0.951 -4.052 1.00 1.00 C ATOM 694 CG GLU A 42 -8.279 0.619 -4.841 1.00 1.00 C ATOM 695 CD GLU A 42 -8.585 0.472 -6.333 1.00 1.00 C ATOM 696 OE1 GLU A 42 -8.979 -0.702 -6.696 1.00 1.00 O ATOM 697 OE2 GLU A 42 -8.445 1.441 -7.093 1.00 1.00 O ATOM 0 H GLU A 42 -8.401 3.007 -3.241 1.00 1.00 H new ATOM 0 HA GLU A 42 -10.169 1.154 -2.034 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -10.258 0.129 -4.137 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -10.025 1.832 -4.480 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -7.538 1.405 -4.694 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -7.842 -0.305 -4.463 1.00 1.00 H new ATOM 704 N LYS A 43 -6.991 0.509 -1.860 1.00 1.00 N ATOM 705 CA LYS A 43 -5.986 -0.408 -1.350 1.00 1.00 C ATOM 706 C LYS A 43 -5.879 -0.249 0.167 1.00 1.00 C ATOM 707 O LYS A 43 -5.626 -1.253 0.849 1.00 1.00 O ATOM 708 CB LYS A 43 -4.658 -0.211 -2.085 1.00 1.00 C ATOM 709 CG LYS A 43 -3.550 -1.053 -1.450 1.00 1.00 C ATOM 710 CD LYS A 43 -3.644 -2.512 -1.900 1.00 1.00 C ATOM 711 CE LYS A 43 -4.367 -3.363 -0.854 1.00 1.00 C ATOM 712 NZ LYS A 43 -4.028 -4.785 -1.022 1.00 1.00 N ATOM 0 H LYS A 43 -6.638 1.443 -2.069 1.00 1.00 H new ATOM 0 HA LYS A 43 -6.280 -1.440 -1.542 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -4.774 -0.487 -3.133 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -4.378 0.842 -2.062 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -2.577 -0.646 -1.724 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -3.624 -0.998 -0.364 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -4.174 -2.570 -2.851 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -2.643 -2.909 -2.069 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -4.089 -3.033 0.147 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -5.444 -3.227 -0.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -4.527 -5.348 -0.304 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -4.315 -5.101 -1.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -3.002 -4.913 -0.910 1.00 1.00 H new ATOM 726 N PHE A 44 -6.070 0.988 0.658 1.00 1.00 N ATOM 727 CA PHE A 44 -5.995 1.272 2.081 1.00 1.00 C ATOM 728 C PHE A 44 -6.938 2.430 2.416 1.00 1.00 C ATOM 729 O PHE A 44 -6.444 3.539 2.665 1.00 1.00 O ATOM 730 CB PHE A 44 -4.542 1.626 2.453 1.00 1.00 C ATOM 731 CG PHE A 44 -4.132 1.227 3.865 1.00 1.00 C ATOM 732 CD1 PHE A 44 -5.115 0.930 4.837 1.00 1.00 C ATOM 733 CD2 PHE A 44 -2.763 1.159 4.212 1.00 1.00 C ATOM 734 CE1 PHE A 44 -4.732 0.565 6.145 1.00 1.00 C ATOM 735 CE2 PHE A 44 -2.381 0.794 5.521 1.00 1.00 C ATOM 736 CZ PHE A 44 -3.365 0.497 6.487 1.00 1.00 C ATOM 0 H PHE A 44 -6.277 1.802 0.079 1.00 1.00 H new ATOM 0 HA PHE A 44 -6.299 0.397 2.655 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -3.871 1.141 1.744 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -4.404 2.701 2.339 1.00 1.00 H new ATOM 0 HD1 PHE A 44 -6.162 0.983 4.577 1.00 1.00 H new ATOM 0 HD2 PHE A 44 -2.008 1.387 3.474 1.00 1.00 H new ATOM 0 HE1 PHE A 44 -5.485 0.338 6.885 1.00 1.00 H new ATOM 0 HE2 PHE A 44 -1.335 0.742 5.783 1.00 1.00 H new ATOM 0 HZ PHE A 44 -3.072 0.218 7.488 1.00 1.00 H new ATOM 746 N PRO A 45 -8.254 2.154 2.415 1.00 1.00 N ATOM 747 CA PRO A 45 -9.280 3.139 2.712 1.00 1.00 C ATOM 748 C PRO A 45 -9.338 3.436 4.212 1.00 1.00 C ATOM 749 O PRO A 45 -9.982 4.424 4.593 1.00 1.00 O ATOM 750 CB PRO A 45 -10.569 2.537 2.176 1.00 1.00 C ATOM 751 CG PRO A 45 -10.302 1.049 2.020 1.00 1.00 C ATOM 752 CD PRO A 45 -8.800 0.833 2.117 1.00 1.00 C ATOM 0 HA PRO A 45 -9.083 4.105 2.247 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -11.398 2.715 2.861 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -10.843 2.987 1.222 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -10.820 0.485 2.796 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -10.678 0.692 1.061 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -8.553 0.116 2.900 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -8.396 0.438 1.185 1.00 1.00 H new ATOM 760 N ALA A 46 -8.674 2.589 5.019 1.00 1.00 N ATOM 761 CA ALA A 46 -8.650 2.761 6.462 1.00 1.00 C ATOM 762 C ALA A 46 -7.552 3.759 6.834 1.00 1.00 C ATOM 763 O ALA A 46 -7.580 4.273 7.962 1.00 1.00 O ATOM 764 CB ALA A 46 -8.273 1.438 7.132 1.00 1.00 C ATOM 0 H ALA A 46 -8.149 1.781 4.685 1.00 1.00 H new ATOM 0 HA ALA A 46 -9.633 3.104 6.785 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -8.256 1.570 8.214 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -9.007 0.676 6.871 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -7.287 1.124 6.789 1.00 1.00 H new ATOM 770 N TRP A 47 -6.622 4.009 5.896 1.00 1.00 N ATOM 771 CA TRP A 47 -5.527 4.937 6.124 1.00 1.00 C ATOM 772 C TRP A 47 -6.030 6.369 5.932 1.00 1.00 C ATOM 773 O TRP A 47 -5.194 7.283 5.864 1.00 1.00 O ATOM 774 CB TRP A 47 -4.343 4.592 5.219 1.00 1.00 C ATOM 775 CG TRP A 47 -4.386 5.274 3.850 1.00 1.00 C ATOM 776 CD1 TRP A 47 -5.465 5.592 3.121 1.00 1.00 C ATOM 777 CD2 TRP A 47 -3.253 5.711 3.071 1.00 1.00 C ATOM 778 NE1 TRP A 47 -5.111 6.200 1.934 1.00 1.00 N ATOM 779 CE2 TRP A 47 -3.723 6.275 1.902 1.00 1.00 C ATOM 780 CE3 TRP A 47 -1.876 5.634 3.345 1.00 1.00 C ATOM 781 CZ2 TRP A 47 -2.884 6.804 0.915 1.00 1.00 C ATOM 782 CZ3 TRP A 47 -1.051 6.167 2.348 1.00 1.00 C ATOM 783 CH2 TRP A 47 -1.508 6.738 1.166 1.00 1.00 C ATOM 0 H TRP A 47 -6.617 3.574 4.973 1.00 1.00 H new ATOM 0 HA TRP A 47 -5.166 4.853 7.149 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -3.419 4.873 5.724 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -4.312 3.512 5.075 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -6.483 5.397 3.424 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -5.750 6.533 1.212 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -1.486 5.198 4.253 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -3.277 7.240 0.008 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 0.016 6.132 2.508 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -0.805 7.129 0.445 1.00 1.00 H new ATOM 794 N GLN A 48 -7.362 6.534 5.849 1.00 1.00 N ATOM 795 CA GLN A 48 -7.966 7.843 5.666 1.00 1.00 C ATOM 796 C GLN A 48 -7.525 8.767 6.803 1.00 1.00 C ATOM 797 O GLN A 48 -7.067 9.882 6.513 1.00 1.00 O ATOM 798 CB GLN A 48 -9.491 7.753 5.594 1.00 1.00 C ATOM 799 CG GLN A 48 -10.048 8.712 4.539 1.00 1.00 C ATOM 800 CD GLN A 48 -9.812 8.171 3.128 1.00 1.00 C ATOM 801 OE1 GLN A 48 -8.720 7.766 2.764 1.00 1.00 O ATOM 802 NE2 GLN A 48 -10.895 8.187 2.355 1.00 1.00 N ATOM 0 H GLN A 48 -8.033 5.768 5.907 1.00 1.00 H new ATOM 0 HA GLN A 48 -7.627 8.254 4.715 1.00 1.00 H new ATOM 0 HB2 GLN A 48 -9.788 6.732 5.355 1.00 1.00 H new ATOM 0 HB3 GLN A 48 -9.919 7.990 6.568 1.00 1.00 H new ATOM 0 HG2 GLN A 48 -11.116 8.858 4.703 1.00 1.00 H new ATOM 0 HG3 GLN A 48 -9.573 9.688 4.642 1.00 1.00 H new ATOM 0 HE21 GLN A 48 -11.779 8.540 2.723 1.00 1.00 H new ATOM 0 HE22 GLN A 48 -10.841 7.847 1.395 1.00 1.00 H new ATOM 811 N ASN A 49 -7.668 8.293 8.054 1.00 1.00 N ATOM 812 CA ASN A 49 -7.287 9.071 9.221 1.00 1.00 C ATOM 813 C ASN A 49 -5.761 9.088 9.341 1.00 1.00 C ATOM 814 O ASN A 49 -5.213 10.125 9.742 1.00 1.00 O ATOM 815 CB ASN A 49 -7.856 8.458 10.502 1.00 1.00 C ATOM 816 CG ASN A 49 -7.283 9.148 11.741 1.00 1.00 C ATOM 817 OD1 ASN A 49 -6.546 8.568 12.522 1.00 1.00 O ATOM 818 ND2 ASN A 49 -7.661 10.416 11.878 1.00 1.00 N ATOM 0 H ASN A 49 -8.047 7.371 8.271 1.00 1.00 H new ATOM 0 HA ASN A 49 -7.682 10.079 9.098 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -8.942 8.548 10.501 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -7.624 7.393 10.534 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -7.332 10.963 12.673 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -8.280 10.841 11.188 1.00 1.00 H new ATOM 825 N SER A 50 -5.118 7.957 8.998 1.00 1.00 N ATOM 826 CA SER A 50 -3.671 7.844 9.068 1.00 1.00 C ATOM 827 C SER A 50 -3.035 9.064 8.399 1.00 1.00 C ATOM 828 O SER A 50 -2.065 9.601 8.953 1.00 1.00 O ATOM 829 CB SER A 50 -3.178 6.557 8.403 1.00 1.00 C ATOM 830 OG SER A 50 -2.938 5.523 9.353 1.00 1.00 O ATOM 0 H SER A 50 -5.589 7.114 8.671 1.00 1.00 H new ATOM 0 HA SER A 50 -3.377 7.805 10.117 1.00 1.00 H new ATOM 0 HB2 SER A 50 -3.917 6.218 7.677 1.00 1.00 H new ATOM 0 HB3 SER A 50 -2.261 6.762 7.851 1.00 1.00 H new ATOM 0 HG SER A 50 -2.626 4.718 8.889 1.00 1.00 H new ATOM 836 N ILE A 51 -3.585 9.471 7.241 1.00 1.00 N ATOM 837 CA ILE A 51 -3.075 10.617 6.507 1.00 1.00 C ATOM 838 C ILE A 51 -3.453 11.901 7.247 1.00 1.00 C ATOM 839 O ILE A 51 -2.699 12.880 7.152 1.00 1.00 O ATOM 840 CB ILE A 51 -3.555 10.580 5.055 1.00 1.00 C ATOM 841 CG1 ILE A 51 -2.556 9.836 4.166 1.00 1.00 C ATOM 842 CG2 ILE A 51 -3.844 11.990 4.536 1.00 1.00 C ATOM 843 CD1 ILE A 51 -3.194 9.444 2.832 1.00 1.00 C ATOM 0 H ILE A 51 -4.384 9.014 6.802 1.00 1.00 H new ATOM 0 HA ILE A 51 -1.987 10.585 6.460 1.00 1.00 H new ATOM 0 HB ILE A 51 -4.493 10.026 5.020 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -1.685 10.466 3.985 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -2.202 8.943 4.680 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -4.183 11.935 3.502 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -4.619 12.451 5.148 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -2.936 12.590 4.588 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -2.462 8.917 2.220 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -4.050 8.794 3.015 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -3.525 10.341 2.309 1.00 1.00 H new ATOM 855 N ARG A 52 -4.595 11.872 7.958 1.00 1.00 N ATOM 856 CA ARG A 52 -5.066 13.026 8.705 1.00 1.00 C ATOM 857 C ARG A 52 -3.983 13.464 9.694 1.00 1.00 C ATOM 858 O ARG A 52 -3.696 14.668 9.759 1.00 1.00 O ATOM 859 CB ARG A 52 -6.352 12.713 9.473 1.00 1.00 C ATOM 860 CG ARG A 52 -7.498 13.615 9.012 1.00 1.00 C ATOM 861 CD ARG A 52 -8.841 13.110 9.544 1.00 1.00 C ATOM 862 NE ARG A 52 -9.029 13.552 10.944 1.00 1.00 N ATOM 863 CZ ARG A 52 -9.957 13.041 11.781 1.00 1.00 C ATOM 864 NH1 ARG A 52 -10.768 12.071 11.338 1.00 1.00 N ATOM 865 NH2 ARG A 52 -10.064 13.496 13.037 1.00 1.00 N ATOM 0 H ARG A 52 -5.202 11.055 8.024 1.00 1.00 H new ATOM 0 HA ARG A 52 -5.280 13.824 7.995 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -6.624 11.668 9.324 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -6.184 12.849 10.541 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -7.325 14.634 9.358 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -7.524 13.649 7.923 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -9.653 13.488 8.923 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -8.877 12.022 9.489 1.00 1.00 H new ATOM 0 HE ARG A 52 -8.419 14.289 11.299 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -10.679 11.729 10.381 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -11.474 11.674 11.958 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -9.442 14.234 13.367 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -10.768 13.105 13.663 1.00 1.00 H new ATOM 879 N HIS A 53 -3.414 12.494 10.433 1.00 1.00 N ATOM 880 CA HIS A 53 -2.375 12.779 11.407 1.00 1.00 C ATOM 881 C HIS A 53 -1.204 13.473 10.710 1.00 1.00 C ATOM 882 O HIS A 53 -0.849 14.587 11.121 1.00 1.00 O ATOM 883 CB HIS A 53 -1.955 11.507 12.147 1.00 1.00 C ATOM 884 CG HIS A 53 -2.191 11.557 13.638 1.00 1.00 C ATOM 885 ND1 HIS A 53 -3.409 11.909 14.192 1.00 1.00 N ATOM 886 CD2 HIS A 53 -1.354 11.296 14.682 1.00 1.00 C ATOM 887 CE1 HIS A 53 -3.298 11.859 15.512 1.00 1.00 C ATOM 888 NE2 HIS A 53 -2.023 11.479 15.813 1.00 1.00 N ATOM 0 H HIS A 53 -3.665 11.508 10.365 1.00 1.00 H new ATOM 0 HA HIS A 53 -2.760 13.458 12.168 1.00 1.00 H new ATOM 0 HB2 HIS A 53 -2.501 10.660 11.731 1.00 1.00 H new ATOM 0 HB3 HIS A 53 -0.896 11.325 11.963 1.00 1.00 H new ATOM 0 HD2 HIS A 53 -0.321 10.992 14.602 1.00 1.00 H new ATOM 0 HE1 HIS A 53 -4.080 12.080 16.224 1.00 1.00 H new ATOM 0 HE2 HIS A 53 -1.646 11.356 16.753 1.00 1.00 H new ATOM 896 N ASN A 54 -0.636 12.812 9.684 1.00 1.00 N ATOM 897 CA ASN A 54 0.483 13.362 8.939 1.00 1.00 C ATOM 898 C ASN A 54 0.062 14.685 8.297 1.00 1.00 C ATOM 899 O ASN A 54 0.914 15.576 8.167 1.00 1.00 O ATOM 900 CB ASN A 54 0.922 12.413 7.823 1.00 1.00 C ATOM 901 CG ASN A 54 0.470 12.928 6.455 1.00 1.00 C ATOM 902 OD1 ASN A 54 -0.525 12.495 5.897 1.00 1.00 O ATOM 903 ND2 ASN A 54 1.254 13.875 5.948 1.00 1.00 N ATOM 0 H ASN A 54 -0.944 11.895 9.361 1.00 1.00 H new ATOM 0 HA ASN A 54 1.310 13.508 9.633 1.00 1.00 H new ATOM 0 HB2 ASN A 54 2.007 12.308 7.836 1.00 1.00 H new ATOM 0 HB3 ASN A 54 0.504 11.422 7.998 1.00 1.00 H new ATOM 0 HD21 ASN A 54 1.037 14.284 5.039 1.00 1.00 H new ATOM 0 HD22 ASN A 54 2.072 14.192 6.468 1.00 1.00 H new ATOM 910 N LEU A 55 -1.223 14.786 7.913 1.00 1.00 N ATOM 911 CA LEU A 55 -1.750 15.988 7.291 1.00 1.00 C ATOM 912 C LEU A 55 -1.479 17.189 8.200 1.00 1.00 C ATOM 913 O LEU A 55 -0.878 18.164 7.727 1.00 1.00 O ATOM 914 CB LEU A 55 -3.227 15.806 6.936 1.00 1.00 C ATOM 915 CG LEU A 55 -3.822 16.846 5.984 1.00 1.00 C ATOM 916 CD1 LEU A 55 -4.743 17.811 6.734 1.00 1.00 C ATOM 917 CD2 LEU A 55 -2.720 17.583 5.220 1.00 1.00 C ATOM 0 H LEU A 55 -1.909 14.040 8.028 1.00 1.00 H new ATOM 0 HA LEU A 55 -1.241 16.181 6.347 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -3.354 14.820 6.490 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -3.806 15.815 7.860 1.00 1.00 H new ATOM 0 HG LEU A 55 -4.432 16.325 5.246 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -5.153 18.540 6.035 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -5.558 17.252 7.195 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -4.175 18.329 7.507 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -3.169 18.316 4.550 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -2.064 18.091 5.927 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -2.140 16.867 4.637 1.00 1.00 H new ATOM 929 N SER A 56 -1.921 17.095 9.467 1.00 1.00 N ATOM 930 CA SER A 56 -1.728 18.165 10.431 1.00 1.00 C ATOM 931 C SER A 56 -0.287 18.130 10.944 1.00 1.00 C ATOM 932 O SER A 56 0.251 19.199 11.264 1.00 1.00 O ATOM 933 CB SER A 56 -2.710 18.052 11.598 1.00 1.00 C ATOM 934 OG SER A 56 -2.296 18.825 12.722 1.00 1.00 O ATOM 0 H SER A 56 -2.414 16.282 9.837 1.00 1.00 H new ATOM 0 HA SER A 56 -1.919 19.116 9.934 1.00 1.00 H new ATOM 0 HB2 SER A 56 -3.697 18.383 11.274 1.00 1.00 H new ATOM 0 HB3 SER A 56 -2.805 17.007 11.892 1.00 1.00 H new ATOM 0 HG SER A 56 -2.950 18.727 13.445 1.00 1.00 H new ATOM 940 N LEU A 57 0.299 16.921 11.012 1.00 1.00 N ATOM 941 CA LEU A 57 1.663 16.751 11.481 1.00 1.00 C ATOM 942 C LEU A 57 2.632 17.032 10.332 1.00 1.00 C ATOM 943 O LEU A 57 3.789 16.593 10.414 1.00 1.00 O ATOM 944 CB LEU A 57 1.844 15.370 12.114 1.00 1.00 C ATOM 945 CG LEU A 57 1.789 15.320 13.643 1.00 1.00 C ATOM 946 CD1 LEU A 57 0.428 15.791 14.158 1.00 1.00 C ATOM 947 CD2 LEU A 57 2.145 13.924 14.158 1.00 1.00 C ATOM 0 H LEU A 57 -0.163 16.052 10.744 1.00 1.00 H new ATOM 0 HA LEU A 57 1.886 17.470 12.270 1.00 1.00 H new ATOM 0 HB2 LEU A 57 1.072 14.708 11.721 1.00 1.00 H new ATOM 0 HB3 LEU A 57 2.804 14.967 11.791 1.00 1.00 H new ATOM 0 HG LEU A 57 2.537 16.009 14.035 1.00 1.00 H new ATOM 0 HD11 LEU A 57 0.415 15.746 15.247 1.00 1.00 H new ATOM 0 HD12 LEU A 57 0.252 16.817 13.835 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -0.355 15.146 13.759 1.00 1.00 H new ATOM 0 HD21 LEU A 57 2.099 13.915 15.247 1.00 1.00 H new ATOM 0 HD22 LEU A 57 1.437 13.197 13.759 1.00 1.00 H new ATOM 0 HD23 LEU A 57 3.153 13.663 13.836 1.00 1.00 H new ATOM 959 N ASN A 58 2.151 17.748 9.300 1.00 1.00 N ATOM 960 CA ASN A 58 2.969 18.083 8.147 1.00 1.00 C ATOM 961 C ASN A 58 3.397 19.549 8.239 1.00 1.00 C ATOM 962 O ASN A 58 4.483 19.814 8.775 1.00 1.00 O ATOM 963 CB ASN A 58 2.188 17.899 6.844 1.00 1.00 C ATOM 964 CG ASN A 58 2.856 18.653 5.693 1.00 1.00 C ATOM 965 OD1 ASN A 58 2.427 19.719 5.283 1.00 1.00 O ATOM 966 ND2 ASN A 58 3.927 18.042 5.195 1.00 1.00 N ATOM 0 H ASN A 58 1.195 18.101 9.252 1.00 1.00 H new ATOM 0 HA ASN A 58 3.835 17.421 8.145 1.00 1.00 H new ATOM 0 HB2 ASN A 58 2.125 16.838 6.600 1.00 1.00 H new ATOM 0 HB3 ASN A 58 1.167 18.258 6.974 1.00 1.00 H new ATOM 0 HD21 ASN A 58 4.443 18.465 4.423 1.00 1.00 H new ATOM 0 HD22 ASN A 58 4.233 17.150 5.585 1.00 1.00 H new ATOM 973 N ASP A 59 2.550 20.457 7.723 1.00 1.00 N ATOM 974 CA ASP A 59 2.838 21.881 7.747 1.00 1.00 C ATOM 975 C ASP A 59 2.380 22.467 9.085 1.00 1.00 C ATOM 976 O ASP A 59 3.065 23.361 9.602 1.00 1.00 O ATOM 977 CB ASP A 59 2.092 22.613 6.630 1.00 1.00 C ATOM 978 CG ASP A 59 2.797 22.610 5.272 1.00 1.00 C ATOM 979 OD1 ASP A 59 4.022 23.015 5.292 1.00 1.00 O ATOM 980 OD2 ASP A 59 2.207 22.238 4.247 1.00 1.00 O ATOM 0 H ASP A 59 1.660 20.217 7.285 1.00 1.00 H new ATOM 0 HA ASP A 59 3.911 22.010 7.608 1.00 1.00 H new ATOM 0 HB2 ASP A 59 1.108 22.159 6.513 1.00 1.00 H new ATOM 0 HB3 ASP A 59 1.932 23.646 6.937 1.00 1.00 H new ATOM 985 N CYS A 60 1.250 21.960 9.609 1.00 1.00 N ATOM 986 CA CYS A 60 0.709 22.430 10.873 1.00 1.00 C ATOM 987 C CYS A 60 -0.262 23.583 10.609 1.00 1.00 C ATOM 988 O CYS A 60 -0.063 24.664 11.183 1.00 1.00 O ATOM 989 CB CYS A 60 1.827 22.834 11.835 1.00 1.00 C ATOM 990 SG CYS A 60 3.166 21.617 12.003 1.00 1.00 S ATOM 0 H CYS A 60 0.701 21.223 9.167 1.00 1.00 H new ATOM 0 HA CYS A 60 0.162 21.620 11.355 1.00 1.00 H new ATOM 0 HB2 CYS A 60 2.254 23.778 11.497 1.00 1.00 H new ATOM 0 HB3 CYS A 60 1.393 23.014 12.819 1.00 1.00 H new ATOM 0 HG CYS A 60 3.984 21.730 10.999 1.00 1.00 H new ATOM 996 N PHE A 61 -1.276 23.334 9.762 1.00 1.00 N ATOM 997 CA PHE A 61 -2.266 24.344 9.429 1.00 1.00 C ATOM 998 C PHE A 61 -3.199 24.552 10.624 1.00 1.00 C ATOM 999 O PHE A 61 -2.874 24.065 11.717 1.00 1.00 O ATOM 1000 CB PHE A 61 -3.060 23.888 8.189 1.00 1.00 C ATOM 1001 CG PHE A 61 -2.468 22.687 7.463 1.00 1.00 C ATOM 1002 CD1 PHE A 61 -2.830 21.373 7.842 1.00 1.00 C ATOM 1003 CD2 PHE A 61 -1.546 22.880 6.409 1.00 1.00 C ATOM 1004 CE1 PHE A 61 -2.276 20.263 7.170 1.00 1.00 C ATOM 1005 CE2 PHE A 61 -0.993 21.769 5.737 1.00 1.00 C ATOM 1006 CZ PHE A 61 -1.358 20.461 6.117 1.00 1.00 C ATOM 0 H PHE A 61 -1.422 22.436 9.300 1.00 1.00 H new ATOM 0 HA PHE A 61 -1.775 25.290 9.201 1.00 1.00 H new ATOM 0 HB2 PHE A 61 -4.078 23.646 8.495 1.00 1.00 H new ATOM 0 HB3 PHE A 61 -3.127 24.722 7.490 1.00 1.00 H new ATOM 0 HD1 PHE A 61 -3.532 21.219 8.648 1.00 1.00 H new ATOM 0 HD2 PHE A 61 -1.264 23.881 6.117 1.00 1.00 H new ATOM 0 HE1 PHE A 61 -2.555 19.261 7.462 1.00 1.00 H new ATOM 0 HE2 PHE A 61 -0.290 21.921 4.931 1.00 1.00 H new ATOM 0 HZ PHE A 61 -0.935 19.611 5.602 1.00 1.00 H new ATOM 1016 N VAL A 62 -4.320 25.260 10.397 1.00 1.00 N ATOM 1017 CA VAL A 62 -5.287 25.527 11.448 1.00 1.00 C ATOM 1018 C VAL A 62 -6.680 25.109 10.972 1.00 1.00 C ATOM 1019 O VAL A 62 -7.157 25.675 9.977 1.00 1.00 O ATOM 1020 CB VAL A 62 -5.214 26.998 11.864 1.00 1.00 C ATOM 1021 CG1 VAL A 62 -3.894 27.302 12.575 1.00 1.00 C ATOM 1022 CG2 VAL A 62 -5.413 27.919 10.659 1.00 1.00 C ATOM 0 H VAL A 62 -4.568 25.653 9.489 1.00 1.00 H new ATOM 0 HA VAL A 62 -5.057 24.939 12.337 1.00 1.00 H new ATOM 0 HB VAL A 62 -6.024 27.188 12.568 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -3.868 28.354 12.860 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -3.810 26.682 13.468 1.00 1.00 H new ATOM 0 HG13 VAL A 62 -3.062 27.087 11.905 1.00 1.00 H new ATOM 0 HG21 VAL A 62 -5.357 28.958 10.982 1.00 1.00 H new ATOM 0 HG22 VAL A 62 -4.635 27.726 9.921 1.00 1.00 H new ATOM 0 HG23 VAL A 62 -6.390 27.730 10.214 1.00 1.00 H new ATOM 1032 N LYS A 63 -7.293 24.143 11.678 1.00 1.00 N ATOM 1033 CA LYS A 63 -8.617 23.656 11.330 1.00 1.00 C ATOM 1034 C LYS A 63 -9.671 24.485 12.066 1.00 1.00 C ATOM 1035 O LYS A 63 -9.400 24.913 13.198 1.00 1.00 O ATOM 1036 CB LYS A 63 -8.722 22.153 11.595 1.00 1.00 C ATOM 1037 CG LYS A 63 -10.159 21.755 11.937 1.00 1.00 C ATOM 1038 CD LYS A 63 -10.448 20.316 11.505 1.00 1.00 C ATOM 1039 CE LYS A 63 -9.682 19.318 12.376 1.00 1.00 C ATOM 1040 NZ LYS A 63 -10.327 19.181 13.692 1.00 1.00 N ATOM 0 H LYS A 63 -6.882 23.690 12.494 1.00 1.00 H new ATOM 0 HA LYS A 63 -8.800 23.782 10.263 1.00 1.00 H new ATOM 0 HB2 LYS A 63 -8.387 21.601 10.717 1.00 1.00 H new ATOM 0 HB3 LYS A 63 -8.060 21.878 12.416 1.00 1.00 H new ATOM 0 HG2 LYS A 63 -10.322 21.856 13.010 1.00 1.00 H new ATOM 0 HG3 LYS A 63 -10.855 22.433 11.443 1.00 1.00 H new ATOM 0 HD2 LYS A 63 -11.518 20.119 11.575 1.00 1.00 H new ATOM 0 HD3 LYS A 63 -10.167 20.183 10.460 1.00 1.00 H new ATOM 0 HE2 LYS A 63 -9.644 18.348 11.880 1.00 1.00 H new ATOM 0 HE3 LYS A 63 -8.652 19.652 12.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 -9.867 18.416 14.226 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 -10.236 20.074 14.218 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 -11.334 18.956 13.563 1.00 1.00 H new ATOM 1054 N ILE A 64 -10.833 24.693 11.421 1.00 1.00 N ATOM 1055 CA ILE A 64 -11.914 25.463 12.011 1.00 1.00 C ATOM 1056 C ILE A 64 -13.125 24.553 12.226 1.00 1.00 C ATOM 1057 O ILE A 64 -14.054 24.604 11.406 1.00 1.00 O ATOM 1058 CB ILE A 64 -12.217 26.699 11.161 1.00 1.00 C ATOM 1059 CG1 ILE A 64 -12.491 26.311 9.707 1.00 1.00 C ATOM 1060 CG2 ILE A 64 -11.095 27.733 11.277 1.00 1.00 C ATOM 1061 CD1 ILE A 64 -13.832 26.874 9.232 1.00 1.00 C ATOM 0 H ILE A 64 -11.036 24.332 10.489 1.00 1.00 H new ATOM 0 HA ILE A 64 -11.621 25.841 12.990 1.00 1.00 H new ATOM 0 HB ILE A 64 -13.124 27.164 11.546 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -11.690 26.685 9.070 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -12.494 25.225 9.611 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -11.335 28.601 10.663 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -10.991 28.042 12.317 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -10.159 27.294 10.933 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -14.002 26.583 8.195 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -14.634 26.479 9.856 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -13.817 27.961 9.306 1.00 1.00 H new ATOM 1073 N PRO A 65 -13.092 23.751 13.305 1.00 1.00 N ATOM 1074 CA PRO A 65 -14.159 22.829 13.652 1.00 1.00 C ATOM 1075 C PRO A 65 -15.360 23.575 14.236 1.00 1.00 C ATOM 1076 O PRO A 65 -16.197 22.930 14.884 1.00 1.00 O ATOM 1077 CB PRO A 65 -13.532 21.853 14.634 1.00 1.00 C ATOM 1078 CG PRO A 65 -12.278 22.534 15.156 1.00 1.00 C ATOM 1079 CD PRO A 65 -11.979 23.718 14.250 1.00 1.00 C ATOM 0 HA PRO A 65 -14.557 22.301 12.785 1.00 1.00 H new ATOM 0 HB2 PRO A 65 -14.219 21.623 15.448 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -13.289 20.909 14.145 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -12.424 22.867 16.184 1.00 1.00 H new ATOM 0 HG3 PRO A 65 -11.440 21.837 15.163 1.00 1.00 H new ATOM 0 HD2 PRO A 65 -11.915 24.646 14.819 1.00 1.00 H new ATOM 0 HD3 PRO A 65 -11.026 23.593 13.736 1.00 1.00 H new ATOM 1087 N ARG A 66 -15.421 24.898 14.000 1.00 1.00 N ATOM 1088 CA ARG A 66 -16.510 25.720 14.499 1.00 1.00 C ATOM 1089 C ARG A 66 -16.233 27.186 14.159 1.00 1.00 C ATOM 1090 O ARG A 66 -15.694 27.899 15.018 1.00 1.00 O ATOM 1091 CB ARG A 66 -16.676 25.578 16.013 1.00 1.00 C ATOM 1092 CG ARG A 66 -18.100 25.933 16.444 1.00 1.00 C ATOM 1093 CD ARG A 66 -18.189 26.090 17.964 1.00 1.00 C ATOM 1094 NE ARG A 66 -18.454 24.777 18.594 1.00 1.00 N ATOM 1095 CZ ARG A 66 -18.625 24.595 19.920 1.00 1.00 C ATOM 1096 NH1 ARG A 66 -18.553 25.655 20.736 1.00 1.00 N ATOM 1097 NH2 ARG A 66 -18.862 23.372 20.414 1.00 1.00 N ATOM 0 H ARG A 66 -14.721 25.411 13.464 1.00 1.00 H new ATOM 0 HA ARG A 66 -17.432 25.384 14.024 1.00 1.00 H new ATOM 0 HB2 ARG A 66 -16.445 24.556 16.313 1.00 1.00 H new ATOM 0 HB3 ARG A 66 -15.965 26.228 16.523 1.00 1.00 H new ATOM 0 HG2 ARG A 66 -18.410 26.859 15.960 1.00 1.00 H new ATOM 0 HG3 ARG A 66 -18.788 25.155 16.114 1.00 1.00 H new ATOM 0 HD2 ARG A 66 -17.259 26.507 18.350 1.00 1.00 H new ATOM 0 HD3 ARG A 66 -18.983 26.792 18.219 1.00 1.00 H new ATOM 0 HE ARG A 66 -18.511 23.959 17.988 1.00 1.00 H new ATOM 0 HH11 ARG A 66 -18.371 26.582 20.352 1.00 1.00 H new ATOM 0 HH12 ARG A 66 -18.680 25.535 21.741 1.00 1.00 H new ATOM 0 HH21 ARG A 66 -18.914 22.570 19.786 1.00 1.00 H new ATOM 0 HH22 ARG A 66 -18.990 23.243 21.418 1.00 1.00 H new ATOM 1111 N GLU A 67 -16.601 27.600 12.933 1.00 1.00 N ATOM 1112 CA GLU A 67 -16.393 28.967 12.488 1.00 1.00 C ATOM 1113 C GLU A 67 -17.750 29.639 12.267 1.00 1.00 C ATOM 1114 O GLU A 67 -18.692 28.944 11.857 1.00 1.00 O ATOM 1115 CB GLU A 67 -15.542 29.022 11.217 1.00 1.00 C ATOM 1116 CG GLU A 67 -14.248 29.802 11.458 1.00 1.00 C ATOM 1117 CD GLU A 67 -13.963 30.761 10.300 1.00 1.00 C ATOM 1118 OE1 GLU A 67 -14.522 30.596 9.206 1.00 1.00 O ATOM 1119 OE2 GLU A 67 -13.127 31.706 10.569 1.00 1.00 O ATOM 0 H GLU A 67 -17.044 26.997 12.240 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.845 29.506 13.261 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -15.305 28.010 10.889 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -16.110 29.492 10.414 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -14.325 30.363 12.389 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -13.416 29.107 11.573 1.00 1.00 H new ATOM 1126 N PRO A 68 -17.823 30.954 12.538 1.00 1.00 N ATOM 1127 CA PRO A 68 -19.035 31.740 12.382 1.00 1.00 C ATOM 1128 C PRO A 68 -19.318 32.023 10.906 1.00 1.00 C ATOM 1129 O PRO A 68 -19.594 33.184 10.571 1.00 1.00 O ATOM 1130 CB PRO A 68 -18.793 33.002 13.194 1.00 1.00 C ATOM 1131 CG PRO A 68 -17.288 33.088 13.391 1.00 1.00 C ATOM 1132 CD PRO A 68 -16.691 31.741 13.021 1.00 1.00 C ATOM 0 HA PRO A 68 -19.924 31.219 12.738 1.00 1.00 H new ATOM 0 HB2 PRO A 68 -19.169 33.881 12.671 1.00 1.00 H new ATOM 0 HB3 PRO A 68 -19.310 32.955 14.152 1.00 1.00 H new ATOM 0 HG2 PRO A 68 -16.866 33.876 12.768 1.00 1.00 H new ATOM 0 HG3 PRO A 68 -17.052 33.339 14.425 1.00 1.00 H new ATOM 0 HD2 PRO A 68 -15.925 31.845 12.253 1.00 1.00 H new ATOM 0 HD3 PRO A 68 -16.218 31.268 13.881 1.00 1.00 H new ATOM 1140 N GLY A 69 -19.245 30.975 10.066 1.00 1.00 N ATOM 1141 CA GLY A 69 -19.492 31.111 8.641 1.00 1.00 C ATOM 1142 C GLY A 69 -19.345 29.744 7.970 1.00 1.00 C ATOM 1143 O GLY A 69 -18.638 29.659 6.954 1.00 1.00 O ATOM 0 H GLY A 69 -19.015 30.026 10.362 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -20.493 31.507 8.470 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -18.789 31.821 8.204 1.00 1.00 H new ATOM 1147 N ASN A 70 -20.003 28.719 8.539 1.00 1.00 N ATOM 1148 CA ASN A 70 -19.945 27.371 7.999 1.00 1.00 C ATOM 1149 C ASN A 70 -21.332 26.730 8.090 1.00 1.00 C ATOM 1150 O ASN A 70 -21.935 26.781 9.172 1.00 1.00 O ATOM 1151 CB ASN A 70 -18.969 26.501 8.793 1.00 1.00 C ATOM 1152 CG ASN A 70 -17.843 25.982 7.896 1.00 1.00 C ATOM 1153 OD1 ASN A 70 -18.030 25.692 6.726 1.00 1.00 O ATOM 1154 ND2 ASN A 70 -16.667 25.882 8.509 1.00 1.00 N ATOM 0 H ASN A 70 -20.580 28.810 9.375 1.00 1.00 H new ATOM 0 HA ASN A 70 -19.609 27.436 6.964 1.00 1.00 H new ATOM 0 HB2 ASN A 70 -18.547 27.079 9.615 1.00 1.00 H new ATOM 0 HB3 ASN A 70 -19.503 25.660 9.236 1.00 1.00 H new ATOM 0 HD21 ASN A 70 -15.852 25.545 7.997 1.00 1.00 H new ATOM 0 HD22 ASN A 70 -16.580 26.142 9.491 1.00 1.00 H new ATOM 1161 N PRO A 71 -21.801 26.149 6.972 1.00 1.00 N ATOM 1162 CA PRO A 71 -23.097 25.497 6.890 1.00 1.00 C ATOM 1163 C PRO A 71 -23.072 24.138 7.591 1.00 1.00 C ATOM 1164 O PRO A 71 -24.110 23.737 8.137 1.00 1.00 O ATOM 1165 CB PRO A 71 -23.391 25.392 5.402 1.00 1.00 C ATOM 1166 CG PRO A 71 -22.054 25.564 4.700 1.00 1.00 C ATOM 1167 CD PRO A 71 -21.062 26.109 5.713 1.00 1.00 C ATOM 0 HA PRO A 71 -23.882 26.056 7.399 1.00 1.00 H new ATOM 0 HB2 PRO A 71 -23.838 24.428 5.159 1.00 1.00 H new ATOM 0 HB3 PRO A 71 -24.098 26.160 5.088 1.00 1.00 H new ATOM 0 HG2 PRO A 71 -21.707 24.611 4.301 1.00 1.00 H new ATOM 0 HG3 PRO A 71 -22.151 26.247 3.856 1.00 1.00 H new ATOM 0 HD2 PRO A 71 -20.183 25.469 5.790 1.00 1.00 H new ATOM 0 HD3 PRO A 71 -20.710 27.101 5.429 1.00 1.00 H new ATOM 1175 N GLY A 72 -21.906 23.467 7.563 1.00 1.00 N ATOM 1176 CA GLY A 72 -21.751 22.167 8.192 1.00 1.00 C ATOM 1177 C GLY A 72 -21.499 21.110 7.114 1.00 1.00 C ATOM 1178 O GLY A 72 -22.377 20.260 6.906 1.00 1.00 O ATOM 0 H GLY A 72 -21.062 23.815 7.107 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -20.921 22.188 8.898 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -22.646 21.916 8.761 1.00 1.00 H new ATOM 1182 N LYS A 73 -20.326 21.184 6.461 1.00 1.00 N ATOM 1183 CA LYS A 73 -19.966 20.241 5.416 1.00 1.00 C ATOM 1184 C LYS A 73 -18.484 19.883 5.545 1.00 1.00 C ATOM 1185 O LYS A 73 -18.177 18.691 5.695 1.00 1.00 O ATOM 1186 CB LYS A 73 -20.346 20.795 4.041 1.00 1.00 C ATOM 1187 CG LYS A 73 -21.855 20.694 3.808 1.00 1.00 C ATOM 1188 CD LYS A 73 -22.209 21.028 2.357 1.00 1.00 C ATOM 1189 CE LYS A 73 -22.263 19.761 1.501 1.00 1.00 C ATOM 1190 NZ LYS A 73 -21.951 20.074 0.097 1.00 1.00 N ATOM 0 H LYS A 73 -19.617 21.893 6.648 1.00 1.00 H new ATOM 0 HA LYS A 73 -20.529 19.315 5.529 1.00 1.00 H new ATOM 0 HB2 LYS A 73 -20.031 21.836 3.964 1.00 1.00 H new ATOM 0 HB3 LYS A 73 -19.817 20.244 3.264 1.00 1.00 H new ATOM 0 HG2 LYS A 73 -22.197 19.687 4.047 1.00 1.00 H new ATOM 0 HG3 LYS A 73 -22.377 21.376 4.480 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -23.172 21.537 2.322 1.00 1.00 H new ATOM 0 HD3 LYS A 73 -21.470 21.717 1.948 1.00 1.00 H new ATOM 0 HE2 LYS A 73 -21.553 19.027 1.882 1.00 1.00 H new ATOM 0 HE3 LYS A 73 -23.254 19.312 1.568 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 -21.992 19.203 -0.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 -22.644 20.758 -0.268 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 -20.996 20.482 0.036 1.00 1.00 H new ATOM 1204 N GLY A 74 -17.610 20.904 5.487 1.00 1.00 N ATOM 1205 CA GLY A 74 -16.177 20.697 5.598 1.00 1.00 C ATOM 1206 C GLY A 74 -15.583 21.756 6.530 1.00 1.00 C ATOM 1207 O GLY A 74 -16.228 22.083 7.537 1.00 1.00 O ATOM 0 H GLY A 74 -17.884 21.879 5.363 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -15.971 19.699 5.985 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -15.712 20.760 4.614 1.00 1.00 H new ATOM 1211 N ASN A 75 -14.387 22.263 6.182 1.00 1.00 N ATOM 1212 CA ASN A 75 -13.717 23.274 6.981 1.00 1.00 C ATOM 1213 C ASN A 75 -12.710 24.024 6.108 1.00 1.00 C ATOM 1214 O ASN A 75 -12.692 23.786 4.891 1.00 1.00 O ATOM 1215 CB ASN A 75 -12.953 22.639 8.145 1.00 1.00 C ATOM 1216 CG ASN A 75 -13.831 21.636 8.896 1.00 1.00 C ATOM 1217 OD1 ASN A 75 -14.598 21.983 9.779 1.00 1.00 O ATOM 1218 ND2 ASN A 75 -13.677 20.377 8.496 1.00 1.00 N ATOM 0 H ASN A 75 -13.873 21.980 5.348 1.00 1.00 H new ATOM 0 HA ASN A 75 -14.476 23.950 7.374 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -12.062 22.137 7.769 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -12.615 23.417 8.830 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -14.219 19.633 8.935 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -13.017 20.156 7.751 1.00 1.00 H new ATOM 1225 N TYR A 76 -11.905 24.902 6.734 1.00 1.00 N ATOM 1226 CA TYR A 76 -10.930 25.650 5.959 1.00 1.00 C ATOM 1227 C TYR A 76 -9.579 25.614 6.678 1.00 1.00 C ATOM 1228 O TYR A 76 -9.379 26.439 7.582 1.00 1.00 O ATOM 1229 CB TYR A 76 -11.423 27.091 5.737 1.00 1.00 C ATOM 1230 CG TYR A 76 -12.911 27.211 5.440 1.00 1.00 C ATOM 1231 CD1 TYR A 76 -13.494 26.463 4.391 1.00 1.00 C ATOM 1232 CD2 TYR A 76 -13.719 28.077 6.212 1.00 1.00 C ATOM 1233 CE1 TYR A 76 -14.874 26.580 4.118 1.00 1.00 C ATOM 1234 CE2 TYR A 76 -15.098 28.193 5.939 1.00 1.00 C ATOM 1235 CZ TYR A 76 -15.677 27.445 4.892 1.00 1.00 C ATOM 1236 OH TYR A 76 -17.014 27.559 4.632 1.00 1.00 O ATOM 0 H TYR A 76 -11.915 25.098 7.735 1.00 1.00 H new ATOM 0 HA TYR A 76 -10.805 25.195 4.976 1.00 1.00 H new ATOM 0 HB2 TYR A 76 -11.194 27.681 6.625 1.00 1.00 H new ATOM 0 HB3 TYR A 76 -10.864 27.529 4.910 1.00 1.00 H new ATOM 0 HD1 TYR A 76 -12.882 25.800 3.797 1.00 1.00 H new ATOM 0 HD2 TYR A 76 -13.279 28.652 7.014 1.00 1.00 H new ATOM 0 HE1 TYR A 76 -15.316 26.007 3.316 1.00 1.00 H new ATOM 0 HE2 TYR A 76 -15.711 28.855 6.532 1.00 1.00 H new ATOM 0 HH TYR A 76 -17.518 27.002 5.261 1.00 1.00 H new ATOM 1246 N TRP A 77 -8.701 24.677 6.280 1.00 1.00 N ATOM 1247 CA TRP A 77 -7.391 24.540 6.894 1.00 1.00 C ATOM 1248 C TRP A 77 -6.427 25.543 6.258 1.00 1.00 C ATOM 1249 O TRP A 77 -6.353 25.587 5.021 1.00 1.00 O ATOM 1250 CB TRP A 77 -6.904 23.093 6.787 1.00 1.00 C ATOM 1251 CG TRP A 77 -7.847 22.071 7.425 1.00 1.00 C ATOM 1252 CD1 TRP A 77 -9.182 22.125 7.519 1.00 1.00 C ATOM 1253 CD2 TRP A 77 -7.468 20.831 8.060 1.00 1.00 C ATOM 1254 NE1 TRP A 77 -9.690 21.016 8.164 1.00 1.00 N ATOM 1255 CE2 TRP A 77 -8.614 20.204 8.503 1.00 1.00 C ATOM 1256 CE3 TRP A 77 -6.198 20.258 8.252 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 -8.606 18.972 9.168 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 -6.207 19.026 8.917 1.00 1.00 C ATOM 1259 CH2 TRP A 77 -7.352 18.382 9.370 1.00 1.00 C ATOM 0 H TRP A 77 -8.886 24.007 5.533 1.00 1.00 H new ATOM 0 HA TRP A 77 -7.446 24.769 7.958 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -6.771 22.842 5.735 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -5.925 23.014 7.260 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -9.785 22.935 7.138 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -10.674 20.827 8.357 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -5.288 20.731 7.913 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -9.517 18.502 9.507 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -5.257 18.542 9.090 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -7.275 17.431 9.876 1.00 1.00 H new ATOM 1270 N THR A 78 -5.719 26.316 7.101 1.00 1.00 N ATOM 1271 CA THR A 78 -4.770 27.307 6.624 1.00 1.00 C ATOM 1272 C THR A 78 -3.403 27.046 7.260 1.00 1.00 C ATOM 1273 O THR A 78 -3.365 26.649 8.434 1.00 1.00 O ATOM 1274 CB THR A 78 -5.325 28.700 6.927 1.00 1.00 C ATOM 1275 OG1 THR A 78 -6.641 28.677 6.381 1.00 1.00 O ATOM 1276 CG2 THR A 78 -4.613 29.800 6.137 1.00 1.00 C ATOM 0 H THR A 78 -5.795 26.264 8.117 1.00 1.00 H new ATOM 0 HA THR A 78 -4.629 27.241 5.545 1.00 1.00 H new ATOM 0 HB THR A 78 -5.232 28.902 7.994 1.00 1.00 H new ATOM 0 HG1 THR A 78 -6.589 28.613 5.404 1.00 1.00 H new ATOM 0 HG21 THR A 78 -5.046 30.768 6.390 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.552 29.800 6.388 1.00 1.00 H new ATOM 0 HG23 THR A 78 -4.733 29.617 5.069 1.00 1.00 H new ATOM 1284 N LEU A 79 -2.326 27.270 6.486 1.00 1.00 N ATOM 1285 CA LEU A 79 -0.973 27.060 6.970 1.00 1.00 C ATOM 1286 C LEU A 79 -0.639 28.125 8.017 1.00 1.00 C ATOM 1287 O LEU A 79 -0.705 29.318 7.685 1.00 1.00 O ATOM 1288 CB LEU A 79 0.014 27.016 5.801 1.00 1.00 C ATOM 1289 CG LEU A 79 0.816 25.722 5.648 1.00 1.00 C ATOM 1290 CD1 LEU A 79 0.389 24.958 4.393 1.00 1.00 C ATOM 1291 CD2 LEU A 79 2.319 26.003 5.665 1.00 1.00 C ATOM 0 H LEU A 79 -2.379 27.597 5.521 1.00 1.00 H new ATOM 0 HA LEU A 79 -0.891 26.091 7.463 1.00 1.00 H new ATOM 0 HB2 LEU A 79 -0.539 27.188 4.878 1.00 1.00 H new ATOM 0 HB3 LEU A 79 0.715 27.843 5.912 1.00 1.00 H new ATOM 0 HG LEU A 79 0.599 25.082 6.504 1.00 1.00 H new ATOM 0 HD11 LEU A 79 0.974 24.042 4.308 1.00 1.00 H new ATOM 0 HD12 LEU A 79 -0.669 24.707 4.462 1.00 1.00 H new ATOM 0 HD13 LEU A 79 0.558 25.580 3.514 1.00 1.00 H new ATOM 0 HD21 LEU A 79 2.866 25.066 5.555 1.00 1.00 H new ATOM 0 HD22 LEU A 79 2.574 26.671 4.842 1.00 1.00 H new ATOM 0 HD23 LEU A 79 2.591 26.472 6.611 1.00 1.00 H new ATOM 1303 N ASP A 80 -0.294 27.682 9.238 1.00 1.00 N ATOM 1304 CA ASP A 80 0.046 28.591 10.320 1.00 1.00 C ATOM 1305 C ASP A 80 1.477 29.096 10.126 1.00 1.00 C ATOM 1306 O ASP A 80 1.692 30.313 10.226 1.00 1.00 O ATOM 1307 CB ASP A 80 -0.027 27.885 11.676 1.00 1.00 C ATOM 1308 CG ASP A 80 -0.662 28.707 12.799 1.00 1.00 C ATOM 1309 OD1 ASP A 80 -1.594 29.515 12.424 1.00 1.00 O ATOM 1310 OD2 ASP A 80 -0.285 28.581 13.974 1.00 1.00 O ATOM 0 H ASP A 80 -0.246 26.695 9.490 1.00 1.00 H new ATOM 0 HA ASP A 80 -0.667 29.416 10.304 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -0.593 26.961 11.558 1.00 1.00 H new ATOM 0 HB3 ASP A 80 0.982 27.604 11.977 1.00 1.00 H new ATOM 1315 N PRO A 81 2.412 28.167 9.857 1.00 1.00 N ATOM 1316 CA PRO A 81 3.815 28.479 9.645 1.00 1.00 C ATOM 1317 C PRO A 81 4.036 29.108 8.268 1.00 1.00 C ATOM 1318 O PRO A 81 3.832 28.412 7.263 1.00 1.00 O ATOM 1319 CB PRO A 81 4.543 27.155 9.817 1.00 1.00 C ATOM 1320 CG PRO A 81 3.485 26.075 9.658 1.00 1.00 C ATOM 1321 CD PRO A 81 2.122 26.740 9.747 1.00 1.00 C ATOM 0 HA PRO A 81 4.192 29.220 10.350 1.00 1.00 H new ATOM 0 HB2 PRO A 81 5.331 27.043 9.072 1.00 1.00 H new ATOM 0 HB3 PRO A 81 5.019 27.095 10.796 1.00 1.00 H new ATOM 0 HG2 PRO A 81 3.600 25.567 8.701 1.00 1.00 H new ATOM 0 HG3 PRO A 81 3.592 25.319 10.436 1.00 1.00 H new ATOM 0 HD2 PRO A 81 1.518 26.525 8.865 1.00 1.00 H new ATOM 0 HD3 PRO A 81 1.562 26.382 10.611 1.00 1.00 H new ATOM 1329 N GLN A 82 4.441 30.390 8.250 1.00 1.00 N ATOM 1330 CA GLN A 82 4.686 31.103 7.007 1.00 1.00 C ATOM 1331 C GLN A 82 3.347 31.471 6.364 1.00 1.00 C ATOM 1332 O GLN A 82 3.221 31.322 5.139 1.00 1.00 O ATOM 1333 CB GLN A 82 5.547 30.279 6.048 1.00 1.00 C ATOM 1334 CG GLN A 82 6.879 29.897 6.698 1.00 1.00 C ATOM 1335 CD GLN A 82 8.005 30.817 6.223 1.00 1.00 C ATOM 1336 OE1 GLN A 82 8.682 30.557 5.242 1.00 1.00 O ATOM 1337 NE2 GLN A 82 8.166 31.905 6.971 1.00 1.00 N ATOM 0 H GLN A 82 4.603 30.945 9.090 1.00 1.00 H new ATOM 0 HA GLN A 82 5.241 32.014 7.229 1.00 1.00 H new ATOM 0 HB2 GLN A 82 5.010 29.377 5.754 1.00 1.00 H new ATOM 0 HB3 GLN A 82 5.733 30.850 5.138 1.00 1.00 H new ATOM 0 HG2 GLN A 82 6.789 29.957 7.783 1.00 1.00 H new ATOM 0 HG3 GLN A 82 7.123 28.863 6.455 1.00 1.00 H new ATOM 0 HE21 GLN A 82 7.564 32.062 7.779 1.00 1.00 H new ATOM 0 HE22 GLN A 82 8.891 32.583 6.736 1.00 1.00 H new ATOM 1346 N SER A 83 2.391 31.937 7.187 1.00 1.00 N ATOM 1347 CA SER A 83 1.077 32.322 6.700 1.00 1.00 C ATOM 1348 C SER A 83 1.164 33.703 6.047 1.00 1.00 C ATOM 1349 O SER A 83 0.689 33.849 4.911 1.00 1.00 O ATOM 1350 CB SER A 83 0.043 32.333 7.828 1.00 1.00 C ATOM 1351 OG SER A 83 0.411 33.220 8.881 1.00 1.00 O ATOM 0 H SER A 83 2.515 32.052 8.193 1.00 1.00 H new ATOM 0 HA SER A 83 0.752 31.587 5.964 1.00 1.00 H new ATOM 0 HB2 SER A 83 -0.927 32.628 7.428 1.00 1.00 H new ATOM 0 HB3 SER A 83 -0.070 31.325 8.226 1.00 1.00 H new ATOM 0 HG SER A 83 -0.275 33.200 9.581 1.00 1.00 H new ATOM 1357 N GLU A 84 1.759 34.672 6.765 1.00 1.00 N ATOM 1358 CA GLU A 84 1.906 36.026 6.258 1.00 1.00 C ATOM 1359 C GLU A 84 2.895 36.025 5.091 1.00 1.00 C ATOM 1360 O GLU A 84 2.656 36.750 4.114 1.00 1.00 O ATOM 1361 CB GLU A 84 2.354 36.992 7.357 1.00 1.00 C ATOM 1362 CG GLU A 84 1.487 38.253 7.366 1.00 1.00 C ATOM 1363 CD GLU A 84 1.731 39.077 8.631 1.00 1.00 C ATOM 1364 OE1 GLU A 84 2.793 39.702 8.768 1.00 1.00 O ATOM 1365 OE2 GLU A 84 0.769 39.056 9.490 1.00 1.00 O ATOM 0 H GLU A 84 2.143 34.531 7.699 1.00 1.00 H new ATOM 0 HA GLU A 84 0.935 36.375 5.906 1.00 1.00 H new ATOM 0 HB2 GLU A 84 2.294 36.498 8.327 1.00 1.00 H new ATOM 0 HB3 GLU A 84 3.398 37.265 7.203 1.00 1.00 H new ATOM 0 HG2 GLU A 84 1.708 38.857 6.486 1.00 1.00 H new ATOM 0 HG3 GLU A 84 0.435 37.976 7.306 1.00 1.00 H new ATOM 1372 N ASP A 85 3.970 35.226 5.214 1.00 1.00 N ATOM 1373 CA ASP A 85 4.984 35.134 4.177 1.00 1.00 C ATOM 1374 C ASP A 85 4.326 34.707 2.863 1.00 1.00 C ATOM 1375 O ASP A 85 4.598 35.341 1.834 1.00 1.00 O ATOM 1376 CB ASP A 85 6.046 34.092 4.535 1.00 1.00 C ATOM 1377 CG ASP A 85 6.984 34.492 5.676 1.00 1.00 C ATOM 1378 OD1 ASP A 85 6.541 34.979 6.727 1.00 1.00 O ATOM 1379 OD2 ASP A 85 8.237 34.282 5.451 1.00 1.00 O ATOM 0 H ASP A 85 4.149 34.638 6.028 1.00 1.00 H new ATOM 0 HA ASP A 85 5.457 36.111 4.080 1.00 1.00 H new ATOM 0 HB2 ASP A 85 5.545 33.162 4.805 1.00 1.00 H new ATOM 0 HB3 ASP A 85 6.645 33.885 3.648 1.00 1.00 H new ATOM 1384 N MET A 86 3.488 33.656 2.923 1.00 1.00 N ATOM 1385 CA MET A 86 2.801 33.151 1.747 1.00 1.00 C ATOM 1386 C MET A 86 2.134 34.316 1.012 1.00 1.00 C ATOM 1387 O MET A 86 2.115 34.298 -0.227 1.00 1.00 O ATOM 1388 CB MET A 86 1.739 32.126 2.150 1.00 1.00 C ATOM 1389 CG MET A 86 2.294 30.702 2.072 1.00 1.00 C ATOM 1390 SD MET A 86 1.591 29.839 0.636 1.00 1.00 S ATOM 1391 CE MET A 86 0.615 28.561 1.483 1.00 1.00 C ATOM 0 H MET A 86 3.278 33.147 3.782 1.00 1.00 H new ATOM 0 HA MET A 86 3.526 32.667 1.093 1.00 1.00 H new ATOM 0 HB2 MET A 86 1.396 32.332 3.164 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.872 32.219 1.496 1.00 1.00 H new ATOM 0 HG2 MET A 86 3.381 30.730 1.993 1.00 1.00 H new ATOM 0 HG3 MET A 86 2.054 30.159 2.986 1.00 1.00 H new ATOM 0 HE1 MET A 86 0.113 27.937 0.744 1.00 1.00 H new ATOM 0 HE2 MET A 86 1.275 27.943 2.092 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.129 29.036 2.122 1.00 1.00 H new ATOM 1401 N PHE A 87 1.609 35.289 1.778 1.00 1.00 N ATOM 1402 CA PHE A 87 0.948 36.449 1.203 1.00 1.00 C ATOM 1403 C PHE A 87 1.900 37.646 1.248 1.00 1.00 C ATOM 1404 O PHE A 87 1.414 38.782 1.353 1.00 1.00 O ATOM 1405 CB PHE A 87 -0.340 36.744 1.996 1.00 1.00 C ATOM 1406 CG PHE A 87 -1.134 37.942 1.494 1.00 1.00 C ATOM 1407 CD1 PHE A 87 -1.506 38.026 0.132 1.00 1.00 C ATOM 1408 CD2 PHE A 87 -1.510 38.975 2.385 1.00 1.00 C ATOM 1409 CE1 PHE A 87 -2.245 39.133 -0.335 1.00 1.00 C ATOM 1410 CE2 PHE A 87 -2.249 40.082 1.916 1.00 1.00 C ATOM 1411 CZ PHE A 87 -2.616 40.161 0.556 1.00 1.00 C ATOM 0 H PHE A 87 1.636 35.285 2.798 1.00 1.00 H new ATOM 0 HA PHE A 87 0.681 36.255 0.164 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -0.980 35.862 1.965 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -0.077 36.911 3.041 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -1.223 37.240 -0.553 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -1.231 38.916 3.427 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -2.527 39.193 -1.376 1.00 1.00 H new ATOM 0 HE2 PHE A 87 -2.534 40.869 2.598 1.00 1.00 H new ATOM 0 HZ PHE A 87 -3.181 41.009 0.197 1.00 1.00 H new ATOM 1421 N ASP A 88 3.215 37.374 1.169 1.00 1.00 N ATOM 1422 CA ASP A 88 4.221 38.422 1.200 1.00 1.00 C ATOM 1423 C ASP A 88 5.611 37.790 1.108 1.00 1.00 C ATOM 1424 O ASP A 88 6.448 38.076 1.977 1.00 1.00 O ATOM 1425 CB ASP A 88 4.148 39.217 2.506 1.00 1.00 C ATOM 1426 CG ASP A 88 4.623 40.667 2.406 1.00 1.00 C ATOM 1427 OD1 ASP A 88 3.765 41.489 1.903 1.00 1.00 O ATOM 1428 OD2 ASP A 88 5.755 40.997 2.791 1.00 1.00 O ATOM 0 H ASP A 88 3.595 36.431 1.083 1.00 1.00 H new ATOM 0 HA ASP A 88 4.037 39.092 0.360 1.00 1.00 H new ATOM 0 HB2 ASP A 88 3.117 39.212 2.860 1.00 1.00 H new ATOM 0 HB3 ASP A 88 4.747 38.705 3.260 1.00 1.00 H new ATOM 1433 N ASN A 89 5.827 36.957 0.074 1.00 1.00 N ATOM 1434 CA ASN A 89 7.104 36.293 -0.127 1.00 1.00 C ATOM 1435 C ASN A 89 8.083 37.269 -0.782 1.00 1.00 C ATOM 1436 O ASN A 89 9.216 37.387 -0.292 1.00 1.00 O ATOM 1437 CB ASN A 89 6.956 35.081 -1.048 1.00 1.00 C ATOM 1438 CG ASN A 89 6.162 35.443 -2.306 1.00 1.00 C ATOM 1439 OD1 ASN A 89 6.695 35.934 -3.287 1.00 1.00 O ATOM 1440 ND2 ASN A 89 4.863 35.173 -2.222 1.00 1.00 N ATOM 0 H ASN A 89 5.124 36.735 -0.631 1.00 1.00 H new ATOM 0 HA ASN A 89 7.470 35.963 0.845 1.00 1.00 H new ATOM 0 HB2 ASN A 89 7.942 34.711 -1.330 1.00 1.00 H new ATOM 0 HB3 ASN A 89 6.453 34.274 -0.515 1.00 1.00 H new ATOM 0 HD21 ASN A 89 4.248 35.377 -3.009 1.00 1.00 H new ATOM 0 HD22 ASN A 89 4.482 34.761 -1.370 1.00 1.00 H new ATOM 1447 N GLY A 90 7.636 37.938 -1.860 1.00 1.00 N ATOM 1448 CA GLY A 90 8.467 38.892 -2.574 1.00 1.00 C ATOM 1449 C GLY A 90 8.471 40.223 -1.819 1.00 1.00 C ATOM 1450 O GLY A 90 9.559 40.690 -1.452 1.00 1.00 O ATOM 0 H GLY A 90 6.699 37.827 -2.248 1.00 1.00 H new ATOM 0 HA2 GLY A 90 9.484 38.509 -2.665 1.00 1.00 H new ATOM 0 HA3 GLY A 90 8.088 39.036 -3.586 1.00 1.00 H new ATOM 1454 N SER A 91 7.273 40.797 -1.605 1.00 1.00 N ATOM 1455 CA SER A 91 7.140 42.061 -0.900 1.00 1.00 C ATOM 1456 C SER A 91 7.966 43.130 -1.618 1.00 1.00 C ATOM 1457 O SER A 91 8.726 43.840 -0.944 1.00 1.00 O ATOM 1458 CB SER A 91 7.584 41.938 0.559 1.00 1.00 C ATOM 1459 OG SER A 91 9.003 41.913 0.684 1.00 1.00 O ATOM 0 H SER A 91 6.388 40.395 -1.915 1.00 1.00 H new ATOM 0 HA SER A 91 6.088 42.348 -0.899 1.00 1.00 H new ATOM 0 HB2 SER A 91 7.184 42.775 1.132 1.00 1.00 H new ATOM 0 HB3 SER A 91 7.166 41.028 0.990 1.00 1.00 H new ATOM 0 HG SER A 91 9.407 41.790 -0.200 1.00 1.00 H new ATOM 1465 N PHE A 92 7.803 43.222 -2.951 1.00 1.00 N ATOM 1466 CA PHE A 92 8.529 44.196 -3.749 1.00 1.00 C ATOM 1467 C PHE A 92 7.563 44.869 -4.726 1.00 1.00 C ATOM 1468 O PHE A 92 7.443 46.102 -4.682 1.00 1.00 O ATOM 1469 CB PHE A 92 9.666 43.484 -4.507 1.00 1.00 C ATOM 1470 CG PHE A 92 10.929 44.317 -4.684 1.00 1.00 C ATOM 1471 CD1 PHE A 92 11.798 44.528 -3.589 1.00 1.00 C ATOM 1472 CD2 PHE A 92 11.244 44.878 -5.944 1.00 1.00 C ATOM 1473 CE1 PHE A 92 12.971 45.295 -3.751 1.00 1.00 C ATOM 1474 CE2 PHE A 92 12.418 45.645 -6.105 1.00 1.00 C ATOM 1475 CZ PHE A 92 13.281 45.854 -5.009 1.00 1.00 C ATOM 0 H PHE A 92 7.171 42.628 -3.488 1.00 1.00 H new ATOM 0 HA PHE A 92 8.964 44.961 -3.106 1.00 1.00 H new ATOM 0 HB2 PHE A 92 9.922 42.568 -3.974 1.00 1.00 H new ATOM 0 HB3 PHE A 92 9.300 43.189 -5.491 1.00 1.00 H new ATOM 0 HD1 PHE A 92 11.563 44.101 -2.625 1.00 1.00 H new ATOM 0 HD2 PHE A 92 10.585 44.719 -6.785 1.00 1.00 H new ATOM 0 HE1 PHE A 92 13.632 45.454 -2.912 1.00 1.00 H new ATOM 0 HE2 PHE A 92 12.656 46.072 -7.068 1.00 1.00 H new ATOM 0 HZ PHE A 92 14.179 46.442 -5.133 1.00 1.00 H new ATOM 1485 N LEU A 93 6.905 44.059 -5.575 1.00 1.00 N ATOM 1486 CA LEU A 93 5.960 44.573 -6.552 1.00 1.00 C ATOM 1487 C LEU A 93 5.046 43.438 -7.018 1.00 1.00 C ATOM 1488 O LEU A 93 5.479 42.290 -7.113 1.00 1.00 O ATOM 1489 CB LEU A 93 6.698 45.276 -7.694 1.00 1.00 C ATOM 1490 CG LEU A 93 7.158 44.381 -8.847 1.00 1.00 C ATOM 1491 CD1 LEU A 93 7.482 45.213 -10.089 1.00 1.00 C ATOM 1492 CD2 LEU A 93 8.335 43.502 -8.422 1.00 1.00 C ATOM 0 H LEU A 93 7.019 43.046 -5.595 1.00 1.00 H new ATOM 0 HA LEU A 93 5.322 45.332 -6.101 1.00 1.00 H new ATOM 0 HB2 LEU A 93 6.046 46.050 -8.099 1.00 1.00 H new ATOM 0 HB3 LEU A 93 7.572 45.779 -7.280 1.00 1.00 H new ATOM 0 HG LEU A 93 6.338 43.714 -9.111 1.00 1.00 H new ATOM 0 HD11 LEU A 93 7.807 44.554 -10.894 1.00 1.00 H new ATOM 0 HD12 LEU A 93 6.593 45.759 -10.403 1.00 1.00 H new ATOM 0 HD13 LEU A 93 8.278 45.920 -9.856 1.00 1.00 H new ATOM 0 HD21 LEU A 93 8.642 42.876 -9.260 1.00 1.00 H new ATOM 0 HD22 LEU A 93 9.169 44.134 -8.116 1.00 1.00 H new ATOM 0 HD23 LEU A 93 8.034 42.869 -7.587 1.00 1.00 H new TER 1504 LEU A 93