USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1051 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 1 TYR N :NH3+ 174:sc= -3.73! (180deg=-3.86!) USER MOD Set 1.2: A 132 SER OG : rot -150:sc= 0.203 USER MOD Set 2.1: A 109 SER OG : rot 180:sc= 0.599 USER MOD Set 2.2: A 111 LYS NZ :NH3+ 145:sc= 0.699 (180deg=-0.336) USER MOD Set 3.1: A 14 HIS :FLIP no HD1:sc= -0.593 F(o=-2.2!,f=-0.92) USER MOD Set 3.2: A 107 ASN : amide:sc= -0.329 K(o=-0.92,f=-2.3) USER MOD Set 4.1: A 88 ASN :FLIP amide:sc= -0.551 F(o=-1.5!,f=-0.54) USER MOD Set 4.2: A 90 TYR OH : rot 180:sc= 0.00644 USER MOD Set 5.1: A 71 THR OG1 : rot 52:sc= 0.312 USER MOD Set 5.2: A 73 ASN :FLIP amide:sc= 0.882 F(o=-0.52,f=1.2) USER MOD Set 6.1: A 38 GLN : amide:sc= 1.19 K(o=2.5,f=0.35!) USER MOD Set 6.2: A 40 SER OG : rot 104:sc= 1.28 USER MOD Set 7.1: A 36 GLN :FLIP amide:sc= -1.53 F(o=-3.6!,f=-0.31) USER MOD Set 7.2: A 54 THR OG1 : rot 159:sc= 1.22 USER MOD Set 8.1: A 10 SER OG : rot -4:sc= 0.0868 USER MOD Set 8.2: A 105 LYS NZ :NH3+ 168:sc= 0.0114 (180deg=-0.0266) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 159:sc= -0.0718 (180deg=-0.45) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.16) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.0487 USER MOD Single : A 9 CYS SG : rot 135:sc= -6.26! USER MOD Single : A 11 ASN : amide:sc= -0.0269 K(o=-0.027,f=-1.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.143 F(o=-2.1!,f=-0.14) USER MOD Single : A 34 HIS : no HE2:sc= 0.787 K(o=0.79,f=-3!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -156:sc= 0.461 (180deg=-0.767!) USER MOD Single : A 51 SER OG : rot 92:sc= 0.42 USER MOD Single : A 52 THR OG1 : rot 92:sc= -0.592 USER MOD Single : A 56 GLN : amide:sc= -15.4! C(o=-15!,f=-19!) USER MOD Single : A 57 TYR OH : rot 180:sc=-0.00459 USER MOD Single : A 60 MET CE :methyl 175:sc= 0 (180deg=-0.0389) USER MOD Single : A 62 THR OG1 : rot -69:sc= 1.13 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 146:sc= 0.116 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 CYS SG : rot 160:sc= 1.25 USER MOD Single : A 85 ASN : amide:sc= 1.16 K(o=1.2,f=-0.12) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 154:sc= 1.25 USER MOD Single : A 93 LYS NZ :NH3+ 151:sc= 0.788 (180deg=-1.23!) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 0.898 (180deg=-1.31!) USER MOD Single : A 95 HIS : no HE2:sc= -0.532 K(o=-0.53,f=-2!) USER MOD Single : A 98 LYS NZ :NH3+ -163:sc= -0.0419 (180deg=-0.276) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -120:sc= -4.62! (180deg=-6.73!) USER MOD Single : A 110 CYS SG : rot 16:sc= -13.5! USER MOD Single : A 116 THR OG1 : rot -127:sc= 1.28 USER MOD Single : A 117 HIS : no HE2:sc= -0.0586 K(o=-0.059,f=-0.95) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.7!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 17.226 -7.392 7.552 1.00 2.41 N ATOM 2 CA TYR A 1 16.620 -6.711 8.704 1.00 2.09 C ATOM 3 C TYR A 1 15.215 -6.267 8.359 1.00 2.03 C ATOM 4 O TYR A 1 15.040 -5.248 7.694 1.00 2.57 O ATOM 5 CB TYR A 1 17.441 -5.478 9.063 1.00 2.90 C ATOM 6 CG TYR A 1 17.156 -4.934 10.446 1.00 3.87 C ATOM 7 CD1 TYR A 1 16.143 -4.007 10.660 1.00 4.74 C ATOM 8 CD2 TYR A 1 17.902 -5.354 11.539 1.00 4.39 C ATOM 9 CE1 TYR A 1 15.883 -3.517 11.925 1.00 5.86 C ATOM 10 CE2 TYR A 1 17.648 -4.869 12.805 1.00 5.57 C ATOM 11 CZ TYR A 1 16.639 -3.952 12.994 1.00 6.21 C ATOM 12 OH TYR A 1 16.382 -3.467 14.257 1.00 7.47 O ATOM 0 H1 TYR A 1 18.223 -7.604 7.759 1.00 2.41 H new ATOM 0 H2 TYR A 1 16.715 -8.278 7.365 1.00 2.41 H new ATOM 0 H3 TYR A 1 17.170 -6.776 6.716 1.00 2.41 H new ATOM 0 HA TYR A 1 16.595 -7.403 9.546 1.00 2.09 H new ATOM 0 HB2 TYR A 1 18.500 -5.725 8.991 1.00 2.90 H new ATOM 0 HB3 TYR A 1 17.246 -4.697 8.328 1.00 2.90 H new ATOM 0 HD1 TYR A 1 15.550 -3.665 9.825 1.00 4.74 H new ATOM 0 HD2 TYR A 1 18.695 -6.073 11.395 1.00 4.39 H new ATOM 0 HE1 TYR A 1 15.092 -2.797 12.076 1.00 5.86 H new ATOM 0 HE2 TYR A 1 18.238 -5.207 13.644 1.00 5.57 H new ATOM 0 HH TYR A 1 17.002 -3.875 14.897 1.00 7.47 H new ATOM 24 N LYS A 2 14.206 -7.001 8.795 1.00 2.03 N ATOM 25 CA LYS A 2 12.858 -6.570 8.505 1.00 2.09 C ATOM 26 C LYS A 2 12.376 -5.615 9.585 1.00 1.28 C ATOM 27 O LYS A 2 12.593 -5.829 10.780 1.00 1.83 O ATOM 28 CB LYS A 2 11.889 -7.757 8.347 1.00 3.32 C ATOM 29 CG LYS A 2 11.706 -8.628 9.584 1.00 4.26 C ATOM 30 CD LYS A 2 12.881 -9.564 9.802 1.00 5.27 C ATOM 31 CE LYS A 2 12.583 -10.592 10.879 1.00 6.31 C ATOM 32 NZ LYS A 2 11.462 -11.487 10.492 1.00 6.96 N ATOM 0 H LYS A 2 14.291 -7.865 9.330 1.00 2.03 H new ATOM 0 HA LYS A 2 12.873 -6.048 7.548 1.00 2.09 H new ATOM 0 HB2 LYS A 2 10.914 -7.370 8.050 1.00 3.32 H new ATOM 0 HB3 LYS A 2 12.244 -8.386 7.531 1.00 3.32 H new ATOM 0 HG2 LYS A 2 11.583 -7.991 10.460 1.00 4.26 H new ATOM 0 HG3 LYS A 2 10.791 -9.212 9.483 1.00 4.26 H new ATOM 0 HD2 LYS A 2 13.120 -10.073 8.868 1.00 5.27 H new ATOM 0 HD3 LYS A 2 13.761 -8.985 10.084 1.00 5.27 H new ATOM 0 HE2 LYS A 2 13.475 -11.188 11.069 1.00 6.31 H new ATOM 0 HE3 LYS A 2 12.336 -10.082 11.810 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 11.511 -12.365 11.047 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 10.557 -11.010 10.678 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 11.532 -11.714 9.479 1.00 6.96 H new ATOM 46 N LYS A 3 11.741 -4.554 9.131 1.00 0.93 N ATOM 47 CA LYS A 3 11.161 -3.541 9.989 1.00 0.96 C ATOM 48 C LYS A 3 10.195 -2.722 9.138 1.00 0.78 C ATOM 49 O LYS A 3 9.024 -2.558 9.489 1.00 1.17 O ATOM 50 CB LYS A 3 12.264 -2.678 10.626 1.00 1.91 C ATOM 51 CG LYS A 3 11.785 -1.695 11.680 1.00 2.62 C ATOM 52 CD LYS A 3 12.959 -0.902 12.234 1.00 3.43 C ATOM 53 CE LYS A 3 12.556 0.002 13.386 1.00 4.25 C ATOM 54 NZ LYS A 3 13.726 0.742 13.929 1.00 4.81 N ATOM 0 H LYS A 3 11.611 -4.368 8.137 1.00 0.93 H new ATOM 0 HA LYS A 3 10.615 -3.990 10.819 1.00 0.96 H new ATOM 0 HB2 LYS A 3 13.005 -3.338 11.077 1.00 1.91 H new ATOM 0 HB3 LYS A 3 12.770 -2.122 9.837 1.00 1.91 H new ATOM 0 HG2 LYS A 3 11.051 -1.016 11.247 1.00 2.62 H new ATOM 0 HG3 LYS A 3 11.286 -2.231 12.487 1.00 2.62 H new ATOM 0 HD2 LYS A 3 13.733 -1.592 12.571 1.00 3.43 H new ATOM 0 HD3 LYS A 3 13.394 -0.299 11.437 1.00 3.43 H new ATOM 0 HE2 LYS A 3 11.800 0.711 13.047 1.00 4.25 H new ATOM 0 HE3 LYS A 3 12.102 -0.595 14.177 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 13.418 1.350 14.714 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 14.436 0.064 14.274 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 14.144 1.329 13.179 1.00 4.81 H new ATOM 68 N PRO A 4 10.682 -2.191 7.992 1.00 0.45 N ATOM 69 CA PRO A 4 9.841 -1.642 6.954 1.00 0.41 C ATOM 70 C PRO A 4 9.561 -2.682 5.873 1.00 0.39 C ATOM 71 O PRO A 4 10.453 -3.434 5.466 1.00 0.53 O ATOM 72 CB PRO A 4 10.684 -0.487 6.389 1.00 0.59 C ATOM 73 CG PRO A 4 12.086 -0.715 6.876 1.00 0.72 C ATOM 74 CD PRO A 4 12.094 -2.024 7.619 1.00 0.80 C ATOM 0 HA PRO A 4 8.866 -1.322 7.322 1.00 0.41 H new ATOM 0 HB2 PRO A 4 10.647 -0.475 5.300 1.00 0.59 H new ATOM 0 HB3 PRO A 4 10.305 0.476 6.731 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.784 -0.744 6.039 1.00 0.72 H new ATOM 0 HG3 PRO A 4 12.404 0.099 7.528 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.447 -2.843 6.993 1.00 0.80 H new ATOM 0 HD3 PRO A 4 12.743 -1.989 8.494 1.00 0.80 H new ATOM 82 N LYS A 5 8.321 -2.743 5.436 1.00 0.38 N ATOM 83 CA LYS A 5 7.933 -3.635 4.361 1.00 0.38 C ATOM 84 C LYS A 5 7.986 -2.901 3.022 1.00 0.35 C ATOM 85 O LYS A 5 7.846 -1.682 2.961 1.00 0.40 O ATOM 86 CB LYS A 5 6.518 -4.185 4.593 1.00 0.44 C ATOM 87 CG LYS A 5 6.370 -5.055 5.835 1.00 1.16 C ATOM 88 CD LYS A 5 4.970 -5.654 5.918 1.00 1.64 C ATOM 89 CE LYS A 5 4.815 -6.616 7.090 1.00 2.57 C ATOM 90 NZ LYS A 5 4.825 -5.925 8.406 1.00 3.33 N ATOM 0 H LYS A 5 7.558 -2.181 5.812 1.00 0.38 H new ATOM 0 HA LYS A 5 8.634 -4.470 4.343 1.00 0.38 H new ATOM 0 HB2 LYS A 5 5.825 -3.347 4.668 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.221 -4.767 3.721 1.00 0.44 H new ATOM 0 HG2 LYS A 5 7.111 -5.854 5.814 1.00 1.16 H new ATOM 0 HG3 LYS A 5 6.568 -4.460 6.726 1.00 1.16 H new ATOM 0 HD2 LYS A 5 4.240 -4.850 6.013 1.00 1.64 H new ATOM 0 HD3 LYS A 5 4.747 -6.179 4.989 1.00 1.64 H new ATOM 0 HE2 LYS A 5 3.881 -7.167 6.981 1.00 2.57 H new ATOM 0 HE3 LYS A 5 5.622 -7.348 7.063 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 4.768 -6.630 9.169 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 5.705 -5.379 8.505 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 4.010 -5.282 8.467 1.00 3.33 H new ATOM 104 N LEU A 6 8.201 -3.657 1.965 1.00 0.35 N ATOM 105 CA LEU A 6 8.206 -3.134 0.610 1.00 0.37 C ATOM 106 C LEU A 6 6.876 -3.482 -0.055 1.00 0.37 C ATOM 107 O LEU A 6 6.403 -4.618 0.041 1.00 0.46 O ATOM 108 CB LEU A 6 9.424 -3.718 -0.150 1.00 0.51 C ATOM 109 CG LEU A 6 9.497 -3.544 -1.680 1.00 0.64 C ATOM 110 CD1 LEU A 6 8.593 -4.540 -2.388 1.00 1.24 C ATOM 111 CD2 LEU A 6 9.157 -2.124 -2.098 1.00 1.49 C ATOM 0 H LEU A 6 8.379 -4.660 2.020 1.00 0.35 H new ATOM 0 HA LEU A 6 8.306 -2.049 0.602 1.00 0.37 H new ATOM 0 HB2 LEU A 6 10.323 -3.273 0.276 1.00 0.51 H new ATOM 0 HB3 LEU A 6 9.465 -4.786 0.063 1.00 0.51 H new ATOM 0 HG LEU A 6 10.526 -3.742 -1.979 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.665 -4.394 -3.466 1.00 1.24 H new ATOM 0 HD12 LEU A 6 8.903 -5.555 -2.138 1.00 1.24 H new ATOM 0 HD13 LEU A 6 7.562 -4.386 -2.069 1.00 1.24 H new ATOM 0 HD21 LEU A 6 9.219 -2.039 -3.183 1.00 1.49 H new ATOM 0 HD22 LEU A 6 8.146 -1.881 -1.772 1.00 1.49 H new ATOM 0 HD23 LEU A 6 9.862 -1.431 -1.639 1.00 1.49 H new ATOM 123 N LEU A 7 6.275 -2.505 -0.712 1.00 0.36 N ATOM 124 CA LEU A 7 4.971 -2.684 -1.328 1.00 0.39 C ATOM 125 C LEU A 7 5.090 -3.041 -2.794 1.00 0.41 C ATOM 126 O LEU A 7 5.585 -2.245 -3.597 1.00 0.58 O ATOM 127 CB LEU A 7 4.146 -1.397 -1.197 1.00 0.55 C ATOM 128 CG LEU A 7 2.834 -1.340 -2.003 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.773 -0.597 -1.204 1.00 1.53 C ATOM 130 CD2 LEU A 7 3.051 -0.649 -3.349 1.00 1.25 C ATOM 0 H LEU A 7 6.672 -1.573 -0.833 1.00 0.36 H new ATOM 0 HA LEU A 7 4.476 -3.505 -0.809 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.907 -1.250 -0.144 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.771 -0.558 -1.502 1.00 0.55 H new ATOM 0 HG LEU A 7 2.499 -2.360 -2.192 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.847 -0.559 -1.777 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.596 -1.117 -0.262 1.00 1.53 H new ATOM 0 HD13 LEU A 7 2.115 0.417 -1.000 1.00 1.53 H new ATOM 0 HD21 LEU A 7 2.111 -0.621 -3.899 1.00 1.25 H new ATOM 0 HD22 LEU A 7 3.405 0.369 -3.183 1.00 1.25 H new ATOM 0 HD23 LEU A 7 3.793 -1.201 -3.926 1.00 1.25 H new ATOM 142 N TYR A 8 4.686 -4.248 -3.150 1.00 0.50 N ATOM 143 CA TYR A 8 4.361 -4.502 -4.521 1.00 0.71 C ATOM 144 C TYR A 8 3.015 -5.189 -4.639 1.00 0.44 C ATOM 145 O TYR A 8 2.914 -6.391 -4.420 1.00 0.73 O ATOM 146 CB TYR A 8 5.446 -5.327 -5.206 1.00 1.29 C ATOM 147 CG TYR A 8 5.739 -6.704 -4.647 1.00 1.60 C ATOM 148 CD1 TYR A 8 6.443 -6.882 -3.465 1.00 2.21 C ATOM 149 CD2 TYR A 8 5.320 -7.837 -5.336 1.00 1.84 C ATOM 150 CE1 TYR A 8 6.716 -8.149 -2.985 1.00 2.93 C ATOM 151 CE2 TYR A 8 5.589 -9.100 -4.866 1.00 2.43 C ATOM 152 CZ TYR A 8 6.285 -9.254 -3.693 1.00 2.96 C ATOM 153 OH TYR A 8 6.555 -10.518 -3.227 1.00 3.74 O ATOM 0 H TYR A 8 4.580 -5.042 -2.519 1.00 0.50 H new ATOM 0 HA TYR A 8 4.302 -3.539 -5.029 1.00 0.71 H new ATOM 0 HB2 TYR A 8 5.169 -5.442 -6.254 1.00 1.29 H new ATOM 0 HB3 TYR A 8 6.371 -4.751 -5.182 1.00 1.29 H new ATOM 0 HD1 TYR A 8 6.782 -6.019 -2.912 1.00 2.21 H new ATOM 0 HD2 TYR A 8 4.772 -7.722 -6.259 1.00 1.84 H new ATOM 0 HE1 TYR A 8 7.263 -8.274 -2.062 1.00 2.93 H new ATOM 0 HE2 TYR A 8 5.255 -9.967 -5.417 1.00 2.43 H new ATOM 0 HH TYR A 8 6.180 -11.181 -3.844 1.00 3.74 H new ATOM 163 N CYS A 9 1.956 -4.469 -4.988 1.00 0.63 N ATOM 164 CA CYS A 9 0.718 -5.188 -5.172 1.00 0.75 C ATOM 165 C CYS A 9 0.082 -4.978 -6.541 1.00 1.05 C ATOM 166 O CYS A 9 -0.837 -4.191 -6.731 1.00 1.99 O ATOM 167 CB CYS A 9 -0.222 -4.714 -4.087 1.00 1.57 C ATOM 168 SG CYS A 9 0.624 -4.411 -2.510 1.00 2.64 S ATOM 0 H CYS A 9 1.930 -3.461 -5.139 1.00 0.63 H new ATOM 0 HA CYS A 9 0.922 -6.257 -5.112 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.714 -3.797 -4.413 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -1.003 -5.459 -3.938 1.00 1.57 H new ATOM 0 HG CYS A 9 0.218 -3.282 -2.009 1.00 2.64 H new ATOM 174 N SER A 10 0.654 -5.663 -7.492 1.00 0.83 N ATOM 175 CA SER A 10 0.021 -6.389 -8.562 1.00 1.29 C ATOM 176 C SER A 10 0.848 -7.655 -8.566 1.00 0.84 C ATOM 177 O SER A 10 2.020 -7.548 -8.169 1.00 1.34 O ATOM 178 CB SER A 10 0.118 -5.628 -9.889 1.00 2.36 C ATOM 179 OG SER A 10 -0.334 -4.291 -9.736 1.00 3.16 O ATOM 0 H SER A 10 1.670 -5.735 -7.543 1.00 0.83 H new ATOM 0 HA SER A 10 -1.049 -6.556 -8.434 1.00 1.29 H new ATOM 0 HB2 SER A 10 1.150 -5.630 -10.240 1.00 2.36 H new ATOM 0 HB3 SER A 10 -0.478 -6.134 -10.648 1.00 2.36 H new ATOM 0 HG SER A 10 -0.673 -4.162 -8.826 1.00 3.16 H new ATOM 185 N ASN A 11 0.394 -8.826 -8.962 1.00 1.45 N ATOM 186 CA ASN A 11 1.401 -9.871 -9.028 1.00 1.79 C ATOM 187 C ASN A 11 2.167 -9.698 -10.336 1.00 1.40 C ATOM 188 O ASN A 11 1.733 -10.125 -11.408 1.00 1.83 O ATOM 189 CB ASN A 11 0.781 -11.265 -8.923 1.00 2.89 C ATOM 190 CG ASN A 11 1.834 -12.346 -8.736 1.00 3.45 C ATOM 191 OD1 ASN A 11 2.910 -12.097 -8.192 1.00 3.71 O ATOM 192 ND2 ASN A 11 1.526 -13.553 -9.174 1.00 4.02 N ATOM 0 H ASN A 11 -0.563 -9.069 -9.220 1.00 1.45 H new ATOM 0 HA ASN A 11 2.081 -9.781 -8.181 1.00 1.79 H new ATOM 0 HB2 ASN A 11 0.084 -11.289 -8.085 1.00 2.89 H new ATOM 0 HB3 ASN A 11 0.204 -11.474 -9.824 1.00 2.89 H new ATOM 0 HD21 ASN A 11 2.190 -14.319 -9.067 1.00 4.02 H new ATOM 0 HD22 ASN A 11 0.624 -13.719 -9.620 1.00 4.02 H new ATOM 199 N GLY A 12 3.316 -9.040 -10.200 1.00 1.41 N ATOM 200 CA GLY A 12 4.215 -8.763 -11.305 1.00 1.36 C ATOM 201 C GLY A 12 5.625 -8.545 -10.797 1.00 1.49 C ATOM 202 O GLY A 12 6.222 -9.420 -10.179 1.00 2.34 O ATOM 0 H GLY A 12 3.648 -8.682 -9.305 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.200 -9.593 -12.011 1.00 1.36 H new ATOM 0 HA3 GLY A 12 3.876 -7.879 -11.845 1.00 1.36 H new ATOM 206 N GLY A 13 6.129 -7.327 -11.027 1.00 0.97 N ATOM 207 CA GLY A 13 7.323 -6.863 -10.341 1.00 1.26 C ATOM 208 C GLY A 13 7.571 -5.373 -10.545 1.00 0.84 C ATOM 209 O GLY A 13 8.275 -4.973 -11.460 1.00 0.89 O ATOM 0 H GLY A 13 5.726 -6.655 -11.680 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.229 -7.070 -9.275 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.186 -7.424 -10.700 1.00 1.26 H new ATOM 213 N HIS A 14 6.903 -4.562 -9.733 1.00 0.78 N ATOM 214 CA HIS A 14 7.196 -3.144 -9.553 1.00 0.61 C ATOM 215 C HIS A 14 7.193 -2.860 -8.057 1.00 0.61 C ATOM 216 O HIS A 14 6.674 -3.679 -7.303 1.00 0.92 O ATOM 217 CB HIS A 14 6.192 -2.258 -10.290 1.00 0.85 C ATOM 218 CG HIS A 14 6.617 -1.894 -11.683 1.00 0.75 C ATOM 219 ND1 HIS A 14 7.140 -0.746 -12.168 1.00 1.31 N flip ATOM 220 CD2 HIS A 14 6.535 -2.756 -12.757 1.00 1.07 C flip ATOM 221 CE1 HIS A 14 7.362 -0.931 -13.506 1.00 1.17 C flip ATOM 222 NE2 HIS A 14 6.991 -2.148 -13.838 1.00 0.95 N flip ATOM 0 H HIS A 14 6.119 -4.882 -9.164 1.00 0.78 H new ATOM 0 HA HIS A 14 8.171 -2.911 -9.981 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.232 -2.772 -10.335 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.038 -1.344 -9.716 1.00 0.85 H new ATOM 0 HD2 HIS A 14 6.158 -3.767 -12.720 1.00 1.07 H new ATOM 0 HE1 HIS A 14 7.775 -0.196 -14.180 1.00 1.17 H new ATOM 0 HE2 HIS A 14 7.046 -2.554 -14.772 1.00 0.95 H new ATOM 231 N PHE A 15 7.722 -1.723 -7.621 1.00 0.49 N ATOM 232 CA PHE A 15 7.819 -1.419 -6.197 1.00 0.45 C ATOM 233 C PHE A 15 7.466 0.043 -5.987 1.00 0.39 C ATOM 234 O PHE A 15 7.911 0.885 -6.750 1.00 0.41 O ATOM 235 CB PHE A 15 9.244 -1.677 -5.685 1.00 0.51 C ATOM 236 CG PHE A 15 9.804 -3.020 -6.065 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.237 -4.186 -5.583 1.00 1.13 C ATOM 238 CD2 PHE A 15 10.898 -3.111 -6.910 1.00 1.15 C ATOM 239 CE1 PHE A 15 9.750 -5.420 -5.932 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.414 -4.342 -7.263 1.00 1.62 C ATOM 241 CZ PHE A 15 10.841 -5.498 -6.774 1.00 1.82 C ATOM 0 H PHE A 15 8.091 -0.995 -8.233 1.00 0.49 H new ATOM 0 HA PHE A 15 7.131 -2.060 -5.646 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.903 -0.899 -6.071 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.249 -1.588 -4.599 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.382 -4.131 -4.925 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.352 -2.210 -7.296 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.298 -6.322 -5.547 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.267 -4.400 -7.923 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.245 -6.461 -7.049 1.00 1.82 H new ATOM 251 N LEU A 16 6.731 0.370 -4.940 1.00 0.43 N ATOM 252 CA LEU A 16 6.290 1.728 -4.767 1.00 0.50 C ATOM 253 C LEU A 16 7.382 2.564 -4.157 1.00 0.48 C ATOM 254 O LEU A 16 8.134 2.157 -3.271 1.00 0.64 O ATOM 255 CB LEU A 16 5.047 1.811 -3.873 1.00 0.75 C ATOM 256 CG LEU A 16 5.232 2.558 -2.534 1.00 1.35 C ATOM 257 CD1 LEU A 16 5.112 4.067 -2.702 1.00 2.23 C ATOM 258 CD2 LEU A 16 4.235 2.068 -1.503 1.00 1.59 C ATOM 0 H LEU A 16 6.434 -0.279 -4.211 1.00 0.43 H new ATOM 0 HA LEU A 16 6.037 2.109 -5.756 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.251 2.301 -4.434 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.708 0.797 -3.658 1.00 0.75 H new ATOM 0 HG LEU A 16 6.241 2.341 -2.184 1.00 1.35 H new ATOM 0 HD11 LEU A 16 5.249 4.553 -1.736 1.00 2.23 H new ATOM 0 HD12 LEU A 16 5.876 4.418 -3.396 1.00 2.23 H new ATOM 0 HD13 LEU A 16 4.125 4.312 -3.095 1.00 2.23 H new ATOM 0 HD21 LEU A 16 4.384 2.608 -0.568 1.00 1.59 H new ATOM 0 HD22 LEU A 16 3.222 2.242 -1.865 1.00 1.59 H new ATOM 0 HD23 LEU A 16 4.382 1.001 -1.333 1.00 1.59 H new ATOM 270 N ARG A 17 7.436 3.731 -4.719 1.00 0.40 N ATOM 271 CA ARG A 17 8.408 4.740 -4.418 1.00 0.42 C ATOM 272 C ARG A 17 7.676 6.036 -4.142 1.00 0.35 C ATOM 273 O ARG A 17 6.603 6.263 -4.714 1.00 0.37 O ATOM 274 CB ARG A 17 9.338 4.905 -5.618 1.00 0.59 C ATOM 275 CG ARG A 17 10.524 3.959 -5.639 1.00 1.00 C ATOM 276 CD ARG A 17 11.197 3.965 -7.004 1.00 1.17 C ATOM 277 NE ARG A 17 11.028 5.248 -7.693 1.00 1.46 N ATOM 278 CZ ARG A 17 12.022 6.090 -7.974 1.00 1.93 C ATOM 279 NH1 ARG A 17 13.266 5.810 -7.601 1.00 2.43 N ATOM 280 NH2 ARG A 17 11.763 7.217 -8.626 1.00 2.61 N ATOM 0 H ARG A 17 6.771 4.022 -5.436 1.00 0.40 H new ATOM 0 HA ARG A 17 9.000 4.461 -3.546 1.00 0.42 H new ATOM 0 HB2 ARG A 17 8.760 4.760 -6.531 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.708 5.930 -5.634 1.00 0.59 H new ATOM 0 HG2 ARG A 17 11.242 4.252 -4.873 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.194 2.949 -5.396 1.00 1.00 H new ATOM 0 HD2 ARG A 17 12.260 3.754 -6.885 1.00 1.17 H new ATOM 0 HD3 ARG A 17 10.780 3.166 -7.617 1.00 1.17 H new ATOM 0 HE ARG A 17 10.085 5.514 -7.977 1.00 1.46 H new ATOM 0 HH11 ARG A 17 13.465 4.946 -7.096 1.00 2.43 H new ATOM 0 HH12 ARG A 17 14.022 6.459 -7.819 1.00 2.43 H new ATOM 0 HH21 ARG A 17 10.807 7.434 -8.909 1.00 2.61 H new ATOM 0 HH22 ARG A 17 12.520 7.865 -8.844 1.00 2.61 H new ATOM 294 N ILE A 18 8.214 6.879 -3.278 1.00 0.33 N ATOM 295 CA ILE A 18 7.624 8.178 -3.093 1.00 0.31 C ATOM 296 C ILE A 18 8.317 9.219 -3.943 1.00 0.32 C ATOM 297 O ILE A 18 9.546 9.244 -4.064 1.00 0.36 O ATOM 298 CB ILE A 18 7.646 8.632 -1.623 1.00 0.36 C ATOM 299 CG1 ILE A 18 9.075 8.745 -1.076 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.830 7.683 -0.772 1.00 0.41 C ATOM 301 CD1 ILE A 18 9.616 10.161 -1.061 1.00 0.91 C ATOM 0 H ILE A 18 9.039 6.688 -2.709 1.00 0.33 H new ATOM 0 HA ILE A 18 6.584 8.083 -3.405 1.00 0.31 H new ATOM 0 HB ILE A 18 7.203 9.627 -1.580 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.098 8.347 -0.062 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.735 8.121 -1.678 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.853 8.014 0.266 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.799 7.671 -1.127 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.249 6.679 -0.842 1.00 0.41 H new ATOM 0 HD11 ILE A 18 10.630 10.159 -0.661 1.00 0.91 H new ATOM 0 HD12 ILE A 18 9.627 10.557 -2.076 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.980 10.787 -0.434 1.00 0.91 H new ATOM 313 N LEU A 19 7.508 10.039 -4.566 1.00 0.36 N ATOM 314 CA LEU A 19 7.976 11.220 -5.248 1.00 0.42 C ATOM 315 C LEU A 19 7.457 12.426 -4.485 1.00 0.41 C ATOM 316 O LEU A 19 6.459 12.317 -3.775 1.00 0.43 O ATOM 317 CB LEU A 19 7.470 11.233 -6.693 1.00 0.54 C ATOM 318 CG LEU A 19 7.970 10.077 -7.562 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.388 10.171 -8.961 1.00 1.56 C ATOM 320 CD2 LEU A 19 9.490 10.073 -7.618 1.00 1.84 C ATOM 0 H LEU A 19 6.498 9.905 -4.615 1.00 0.36 H new ATOM 0 HA LEU A 19 9.065 11.238 -5.283 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.380 11.214 -6.681 1.00 0.54 H new ATOM 0 HB3 LEU A 19 7.767 12.173 -7.158 1.00 0.54 H new ATOM 0 HG LEU A 19 7.638 9.141 -7.113 1.00 0.96 H new ATOM 0 HD11 LEU A 19 7.755 9.341 -9.564 1.00 1.56 H new ATOM 0 HD12 LEU A 19 6.300 10.127 -8.906 1.00 1.56 H new ATOM 0 HD13 LEU A 19 7.690 11.113 -9.418 1.00 1.56 H new ATOM 0 HD21 LEU A 19 9.829 9.245 -8.240 1.00 1.84 H new ATOM 0 HD22 LEU A 19 9.841 11.013 -8.043 1.00 1.84 H new ATOM 0 HD23 LEU A 19 9.891 9.958 -6.611 1.00 1.84 H new ATOM 332 N PRO A 20 8.095 13.594 -4.630 1.00 0.54 N ATOM 333 CA PRO A 20 7.727 14.784 -3.855 1.00 0.67 C ATOM 334 C PRO A 20 6.426 15.400 -4.337 1.00 0.68 C ATOM 335 O PRO A 20 5.980 16.434 -3.844 1.00 0.84 O ATOM 336 CB PRO A 20 8.862 15.760 -4.125 1.00 0.89 C ATOM 337 CG PRO A 20 9.504 15.306 -5.391 1.00 0.96 C ATOM 338 CD PRO A 20 9.250 13.831 -5.513 1.00 0.70 C ATOM 0 HA PRO A 20 7.583 14.541 -2.802 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.486 16.778 -4.222 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.578 15.762 -3.303 1.00 0.89 H new ATOM 0 HG2 PRO A 20 9.089 15.840 -6.246 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.574 15.512 -5.375 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.030 13.548 -6.542 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.117 13.249 -5.201 1.00 0.70 H new ATOM 346 N ASP A 21 5.838 14.743 -5.309 1.00 0.62 N ATOM 347 CA ASP A 21 4.523 15.109 -5.811 1.00 0.78 C ATOM 348 C ASP A 21 3.449 14.558 -4.884 1.00 0.75 C ATOM 349 O ASP A 21 2.350 15.105 -4.773 1.00 0.99 O ATOM 350 CB ASP A 21 4.322 14.562 -7.225 1.00 0.94 C ATOM 351 CG ASP A 21 2.979 14.942 -7.809 1.00 1.51 C ATOM 352 OD1 ASP A 21 2.844 16.081 -8.299 1.00 1.71 O ATOM 353 OD2 ASP A 21 2.056 14.101 -7.794 1.00 2.30 O ATOM 0 H ASP A 21 6.253 13.938 -5.778 1.00 0.62 H new ATOM 0 HA ASP A 21 4.448 16.196 -5.844 1.00 0.78 H new ATOM 0 HB2 ASP A 21 5.115 14.937 -7.872 1.00 0.94 H new ATOM 0 HB3 ASP A 21 4.412 13.476 -7.207 1.00 0.94 H new ATOM 358 N GLY A 22 3.794 13.481 -4.192 1.00 0.59 N ATOM 359 CA GLY A 22 2.866 12.847 -3.283 1.00 0.72 C ATOM 360 C GLY A 22 2.221 11.621 -3.889 1.00 0.61 C ATOM 361 O GLY A 22 1.041 11.368 -3.673 1.00 0.81 O ATOM 0 H GLY A 22 4.709 13.033 -4.246 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.390 12.566 -2.369 1.00 0.72 H new ATOM 0 HA3 GLY A 22 2.092 13.561 -3.000 1.00 0.72 H new ATOM 365 N THR A 23 2.987 10.863 -4.654 1.00 0.43 N ATOM 366 CA THR A 23 2.480 9.695 -5.325 1.00 0.39 C ATOM 367 C THR A 23 3.021 8.422 -4.699 1.00 0.40 C ATOM 368 O THR A 23 4.203 8.346 -4.367 1.00 0.46 O ATOM 369 CB THR A 23 2.944 9.701 -6.774 1.00 0.44 C ATOM 370 OG1 THR A 23 3.211 11.047 -7.199 1.00 0.49 O ATOM 371 CG2 THR A 23 1.905 9.073 -7.680 1.00 0.59 C ATOM 0 H THR A 23 3.976 11.046 -4.823 1.00 0.43 H new ATOM 0 HA THR A 23 1.393 9.720 -5.246 1.00 0.39 H new ATOM 0 HB THR A 23 3.859 9.112 -6.840 1.00 0.44 H new ATOM 0 HG1 THR A 23 3.511 11.042 -8.132 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.262 9.090 -8.710 1.00 0.59 H new ATOM 0 HG22 THR A 23 1.731 8.042 -7.374 1.00 0.59 H new ATOM 0 HG23 THR A 23 0.974 9.635 -7.610 1.00 0.59 H new ATOM 379 N VAL A 24 2.162 7.431 -4.544 1.00 0.47 N ATOM 380 CA VAL A 24 2.625 6.092 -4.230 1.00 0.56 C ATOM 381 C VAL A 24 2.560 5.274 -5.511 1.00 0.42 C ATOM 382 O VAL A 24 1.492 4.836 -5.943 1.00 0.50 O ATOM 383 CB VAL A 24 1.745 5.457 -3.123 1.00 0.91 C ATOM 384 CG1 VAL A 24 0.301 5.828 -3.349 1.00 0.97 C ATOM 385 CG2 VAL A 24 1.881 3.942 -3.078 1.00 1.61 C ATOM 0 H VAL A 24 1.150 7.526 -4.629 1.00 0.47 H new ATOM 0 HA VAL A 24 3.647 6.119 -3.851 1.00 0.56 H new ATOM 0 HB VAL A 24 2.090 5.847 -2.165 1.00 0.91 H new ATOM 0 HG11 VAL A 24 -0.316 5.381 -2.570 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.195 6.912 -3.318 1.00 0.97 H new ATOM 0 HG13 VAL A 24 -0.021 5.460 -4.323 1.00 0.97 H new ATOM 0 HG21 VAL A 24 1.246 3.543 -2.287 1.00 1.61 H new ATOM 0 HG22 VAL A 24 1.576 3.521 -4.036 1.00 1.61 H new ATOM 0 HG23 VAL A 24 2.919 3.676 -2.879 1.00 1.61 H new ATOM 395 N ASP A 25 3.701 5.118 -6.147 1.00 0.37 N ATOM 396 CA ASP A 25 3.744 4.416 -7.427 1.00 0.37 C ATOM 397 C ASP A 25 4.851 3.416 -7.507 1.00 0.39 C ATOM 398 O ASP A 25 5.905 3.607 -6.910 1.00 0.43 O ATOM 399 CB ASP A 25 3.823 5.405 -8.597 1.00 0.48 C ATOM 400 CG ASP A 25 5.166 6.104 -8.723 1.00 0.80 C ATOM 401 OD1 ASP A 25 6.081 5.531 -9.348 1.00 1.10 O ATOM 402 OD2 ASP A 25 5.327 7.212 -8.155 1.00 1.16 O ATOM 0 H ASP A 25 4.602 5.459 -5.812 1.00 0.37 H new ATOM 0 HA ASP A 25 2.810 3.858 -7.501 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.613 4.873 -9.525 1.00 0.48 H new ATOM 0 HB3 ASP A 25 3.043 6.157 -8.478 1.00 0.48 H new ATOM 407 N GLY A 26 4.631 2.348 -8.265 1.00 0.38 N ATOM 408 CA GLY A 26 5.695 1.406 -8.416 1.00 0.40 C ATOM 409 C GLY A 26 6.560 1.638 -9.627 1.00 0.42 C ATOM 410 O GLY A 26 6.105 1.903 -10.738 1.00 0.52 O ATOM 0 H GLY A 26 3.764 2.132 -8.757 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.322 1.437 -7.525 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.272 0.403 -8.473 1.00 0.40 H new ATOM 414 N THR A 27 7.817 1.501 -9.343 1.00 0.42 N ATOM 415 CA THR A 27 8.920 1.533 -10.262 1.00 0.50 C ATOM 416 C THR A 27 9.905 0.545 -9.692 1.00 0.54 C ATOM 417 O THR A 27 9.943 0.416 -8.469 1.00 0.56 O ATOM 418 CB THR A 27 9.535 2.940 -10.311 1.00 0.57 C ATOM 419 OG1 THR A 27 8.601 3.871 -10.878 1.00 0.67 O ATOM 420 CG2 THR A 27 10.827 2.940 -11.099 1.00 0.70 C ATOM 0 H THR A 27 8.128 1.351 -8.383 1.00 0.42 H new ATOM 0 HA THR A 27 8.624 1.287 -11.282 1.00 0.50 H new ATOM 0 HB THR A 27 9.763 3.249 -9.291 1.00 0.57 H new ATOM 0 HG1 THR A 27 9.003 4.764 -10.902 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.241 3.948 -11.118 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.540 2.263 -10.628 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.631 2.609 -12.119 1.00 0.70 H new ATOM 428 N ARG A 28 10.679 -0.202 -10.456 1.00 0.64 N ATOM 429 CA ARG A 28 11.535 -1.095 -9.726 1.00 0.71 C ATOM 430 C ARG A 28 12.820 -0.392 -9.378 1.00 0.65 C ATOM 431 O ARG A 28 13.691 -0.173 -10.217 1.00 0.72 O ATOM 432 CB ARG A 28 11.854 -2.365 -10.506 1.00 0.91 C ATOM 433 CG ARG A 28 10.675 -3.270 -10.754 1.00 1.56 C ATOM 434 CD ARG A 28 11.122 -4.562 -11.421 1.00 1.84 C ATOM 435 NE ARG A 28 11.686 -4.326 -12.748 1.00 2.32 N ATOM 436 CZ ARG A 28 11.539 -5.150 -13.779 1.00 2.92 C ATOM 437 NH1 ARG A 28 10.851 -6.277 -13.646 1.00 3.18 N ATOM 438 NH2 ARG A 28 12.082 -4.840 -14.947 1.00 3.76 N ATOM 0 H ARG A 28 10.732 -0.212 -11.475 1.00 0.64 H new ATOM 0 HA ARG A 28 11.000 -1.388 -8.822 1.00 0.71 H new ATOM 0 HB2 ARG A 28 12.287 -2.085 -11.466 1.00 0.91 H new ATOM 0 HB3 ARG A 28 12.616 -2.925 -9.964 1.00 0.91 H new ATOM 0 HG2 ARG A 28 10.178 -3.495 -9.811 1.00 1.56 H new ATOM 0 HG3 ARG A 28 9.946 -2.762 -11.385 1.00 1.56 H new ATOM 0 HD2 ARG A 28 11.864 -5.056 -10.794 1.00 1.84 H new ATOM 0 HD3 ARG A 28 10.273 -5.240 -11.503 1.00 1.84 H new ATOM 0 HE ARG A 28 12.227 -3.474 -12.892 1.00 2.32 H new ATOM 0 HH11 ARG A 28 10.431 -6.515 -12.748 1.00 3.18 H new ATOM 0 HH12 ARG A 28 10.742 -6.905 -14.442 1.00 3.18 H new ATOM 0 HH21 ARG A 28 12.609 -3.973 -15.050 1.00 3.76 H new ATOM 0 HH22 ARG A 28 11.973 -5.468 -15.743 1.00 3.76 H new ATOM 452 N ASP A 29 12.910 -0.073 -8.109 1.00 0.68 N ATOM 453 CA ASP A 29 14.158 0.228 -7.439 1.00 0.69 C ATOM 454 C ASP A 29 14.056 -0.250 -6.005 1.00 0.81 C ATOM 455 O ASP A 29 13.337 0.345 -5.214 1.00 1.48 O ATOM 456 CB ASP A 29 14.447 1.739 -7.426 1.00 1.04 C ATOM 457 CG ASP A 29 14.902 2.292 -8.762 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.116 2.231 -9.051 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.057 2.818 -9.514 1.00 2.20 O ATOM 0 H ASP A 29 12.097 -0.013 -7.495 1.00 0.68 H new ATOM 0 HA ASP A 29 14.965 -0.271 -7.975 1.00 0.69 H new ATOM 0 HB2 ASP A 29 13.547 2.268 -7.113 1.00 1.04 H new ATOM 0 HB3 ASP A 29 15.214 1.945 -6.679 1.00 1.04 H new ATOM 464 N ARG A 30 14.790 -1.272 -5.643 1.00 0.62 N ATOM 465 CA ARG A 30 14.892 -1.636 -4.240 1.00 0.91 C ATOM 466 C ARG A 30 16.339 -1.590 -3.820 1.00 1.03 C ATOM 467 O ARG A 30 16.715 -2.010 -2.730 1.00 1.18 O ATOM 468 CB ARG A 30 14.233 -2.987 -3.949 1.00 1.63 C ATOM 469 CG ARG A 30 14.672 -4.129 -4.857 1.00 2.20 C ATOM 470 CD ARG A 30 16.003 -4.713 -4.413 1.00 2.58 C ATOM 471 NE ARG A 30 16.424 -5.836 -5.244 1.00 3.27 N ATOM 472 CZ ARG A 30 16.813 -7.011 -4.757 1.00 3.80 C ATOM 473 NH1 ARG A 30 16.759 -7.239 -3.449 1.00 3.96 N ATOM 474 NH2 ARG A 30 17.238 -7.965 -5.575 1.00 4.57 N ATOM 0 H ARG A 30 15.320 -1.863 -6.284 1.00 0.62 H new ATOM 0 HA ARG A 30 14.339 -0.912 -3.642 1.00 0.91 H new ATOM 0 HB2 ARG A 30 14.446 -3.262 -2.916 1.00 1.63 H new ATOM 0 HB3 ARG A 30 13.152 -2.872 -4.032 1.00 1.63 H new ATOM 0 HG2 ARG A 30 13.912 -4.910 -4.855 1.00 2.20 H new ATOM 0 HG3 ARG A 30 14.755 -3.769 -5.882 1.00 2.20 H new ATOM 0 HD2 ARG A 30 16.766 -3.935 -4.444 1.00 2.58 H new ATOM 0 HD3 ARG A 30 15.925 -5.041 -3.376 1.00 2.58 H new ATOM 0 HE ARG A 30 16.420 -5.713 -6.257 1.00 3.27 H new ATOM 0 HH11 ARG A 30 16.419 -6.513 -2.818 1.00 3.96 H new ATOM 0 HH12 ARG A 30 17.057 -8.140 -3.076 1.00 3.96 H new ATOM 0 HH21 ARG A 30 17.267 -7.799 -6.581 1.00 4.57 H new ATOM 0 HH22 ARG A 30 17.536 -8.865 -5.198 1.00 4.57 H new ATOM 488 N SER A 31 17.138 -1.065 -4.727 1.00 1.72 N ATOM 489 CA SER A 31 18.496 -0.693 -4.432 1.00 2.60 C ATOM 490 C SER A 31 18.530 0.808 -4.174 1.00 2.41 C ATOM 491 O SER A 31 19.589 1.435 -4.177 1.00 2.90 O ATOM 492 CB SER A 31 19.412 -1.064 -5.600 1.00 3.49 C ATOM 493 OG SER A 31 19.320 -2.449 -5.901 1.00 4.00 O ATOM 0 H SER A 31 16.857 -0.886 -5.691 1.00 1.72 H new ATOM 0 HA SER A 31 18.852 -1.227 -3.551 1.00 2.60 H new ATOM 0 HB2 SER A 31 19.141 -0.479 -6.479 1.00 3.49 H new ATOM 0 HB3 SER A 31 20.443 -0.810 -5.353 1.00 3.49 H new ATOM 0 HG SER A 31 19.913 -2.661 -6.652 1.00 4.00 H new ATOM 499 N ASP A 32 17.342 1.379 -3.955 1.00 1.76 N ATOM 500 CA ASP A 32 17.206 2.786 -3.715 1.00 1.59 C ATOM 501 C ASP A 32 16.632 2.975 -2.319 1.00 1.18 C ATOM 502 O ASP A 32 16.368 2.007 -1.608 1.00 1.25 O ATOM 503 CB ASP A 32 16.276 3.373 -4.795 1.00 1.59 C ATOM 504 CG ASP A 32 16.037 4.866 -4.669 1.00 1.92 C ATOM 505 OD1 ASP A 32 16.975 5.588 -4.270 1.00 2.08 O ATOM 506 OD2 ASP A 32 14.922 5.323 -4.982 1.00 2.37 O ATOM 0 H ASP A 32 16.461 0.866 -3.943 1.00 1.76 H new ATOM 0 HA ASP A 32 18.165 3.302 -3.769 1.00 1.59 H new ATOM 0 HB2 ASP A 32 16.703 3.167 -5.777 1.00 1.59 H new ATOM 0 HB3 ASP A 32 15.316 2.858 -4.750 1.00 1.59 H new ATOM 511 N GLN A 33 16.411 4.208 -1.954 1.00 1.02 N ATOM 512 CA GLN A 33 15.995 4.560 -0.616 1.00 0.76 C ATOM 513 C GLN A 33 14.548 5.047 -0.555 1.00 0.55 C ATOM 514 O GLN A 33 14.220 5.894 0.268 1.00 0.72 O ATOM 515 CB GLN A 33 16.955 5.620 -0.129 1.00 1.03 C ATOM 516 CG GLN A 33 18.269 5.060 0.387 1.00 1.73 C ATOM 517 CD GLN A 33 19.367 6.102 0.430 1.00 2.18 C ATOM 518 OE1 GLN A 33 19.307 7.063 -0.476 1.00 2.42 O flip ATOM 519 NE2 GLN A 33 20.270 6.041 1.264 1.00 2.92 N flip ATOM 0 H GLN A 33 16.514 5.007 -2.580 1.00 1.02 H new ATOM 0 HA GLN A 33 16.022 3.678 0.024 1.00 0.76 H new ATOM 0 HB2 GLN A 33 17.161 6.314 -0.944 1.00 1.03 H new ATOM 0 HB3 GLN A 33 16.477 6.194 0.665 1.00 1.03 H new ATOM 0 HG2 GLN A 33 18.119 4.654 1.387 1.00 1.73 H new ATOM 0 HG3 GLN A 33 18.583 4.233 -0.250 1.00 1.73 H new ATOM 0 HE21 GLN A 33 20.283 5.284 1.948 1.00 2.92 H new ATOM 0 HE22 GLN A 33 21.006 6.747 1.272 1.00 2.92 H new ATOM 528 N HIS A 34 13.678 4.545 -1.420 1.00 0.44 N ATOM 529 CA HIS A 34 12.318 5.084 -1.492 1.00 0.36 C ATOM 530 C HIS A 34 11.240 4.043 -1.199 1.00 0.32 C ATOM 531 O HIS A 34 10.072 4.398 -1.065 1.00 0.37 O ATOM 532 CB HIS A 34 12.059 5.718 -2.866 1.00 0.57 C ATOM 533 CG HIS A 34 12.701 7.062 -3.058 1.00 0.85 C ATOM 534 ND1 HIS A 34 11.981 8.212 -3.301 1.00 1.54 N ATOM 535 CD2 HIS A 34 14.004 7.434 -3.061 1.00 1.29 C ATOM 536 CE1 HIS A 34 12.812 9.227 -3.446 1.00 1.61 C ATOM 537 NE2 HIS A 34 14.046 8.784 -3.306 1.00 1.34 N ATOM 0 H HIS A 34 13.877 3.784 -2.069 1.00 0.44 H new ATOM 0 HA HIS A 34 12.254 5.843 -0.712 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.422 5.041 -3.640 1.00 0.57 H new ATOM 0 HB3 HIS A 34 10.983 5.819 -3.010 1.00 0.57 H new ATOM 0 HD1 HIS A 34 10.964 8.270 -3.360 1.00 1.54 H new ATOM 0 HD2 HIS A 34 14.854 6.787 -2.900 1.00 1.29 H new ATOM 0 HE1 HIS A 34 12.529 10.250 -3.646 1.00 1.61 H new ATOM 546 N ILE A 35 11.619 2.772 -1.114 1.00 0.38 N ATOM 547 CA ILE A 35 10.644 1.696 -0.952 1.00 0.45 C ATOM 548 C ILE A 35 10.288 1.352 0.502 1.00 0.46 C ATOM 549 O ILE A 35 9.422 0.505 0.726 1.00 0.63 O ATOM 550 CB ILE A 35 11.169 0.415 -1.602 1.00 0.63 C ATOM 551 CG1 ILE A 35 12.535 0.066 -1.008 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.246 0.584 -3.108 1.00 1.51 C ATOM 553 CD1 ILE A 35 12.963 -1.356 -1.257 1.00 2.04 C ATOM 0 H ILE A 35 12.590 2.461 -1.154 1.00 0.38 H new ATOM 0 HA ILE A 35 9.740 2.074 -1.429 1.00 0.45 H new ATOM 0 HB ILE A 35 10.484 -0.408 -1.397 1.00 0.63 H new ATOM 0 HG12 ILE A 35 13.284 0.739 -1.425 1.00 1.16 H new ATOM 0 HG13 ILE A 35 12.509 0.244 0.067 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.621 -0.335 -3.559 1.00 1.51 H new ATOM 0 HG22 ILE A 35 10.253 0.802 -3.501 1.00 1.51 H new ATOM 0 HG23 ILE A 35 11.919 1.407 -3.348 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.940 -1.526 -0.806 1.00 2.04 H new ATOM 0 HD12 ILE A 35 12.236 -2.037 -0.815 1.00 2.04 H new ATOM 0 HD13 ILE A 35 13.023 -1.535 -2.330 1.00 2.04 H new ATOM 565 N GLN A 36 10.923 1.968 1.494 1.00 0.38 N ATOM 566 CA GLN A 36 10.800 1.440 2.854 1.00 0.37 C ATOM 567 C GLN A 36 9.649 2.082 3.631 1.00 0.35 C ATOM 568 O GLN A 36 9.765 3.177 4.193 1.00 0.35 O ATOM 569 CB GLN A 36 12.119 1.594 3.633 1.00 0.43 C ATOM 570 CG GLN A 36 12.528 3.035 3.930 1.00 0.52 C ATOM 571 CD GLN A 36 13.099 3.753 2.729 1.00 0.71 C ATOM 572 OE1 GLN A 36 12.242 4.427 1.982 1.00 1.17 O flip ATOM 573 NE2 GLN A 36 14.298 3.710 2.477 1.00 1.29 N flip ATOM 0 H GLN A 36 11.506 2.799 1.394 1.00 0.38 H new ATOM 0 HA GLN A 36 10.573 0.379 2.752 1.00 0.37 H new ATOM 0 HB2 GLN A 36 12.031 1.055 4.576 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.917 1.115 3.065 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.660 3.584 4.294 1.00 0.52 H new ATOM 0 HG3 GLN A 36 13.267 3.038 4.732 1.00 0.52 H new ATOM 0 HE21 GLN A 36 14.927 3.178 3.079 1.00 1.29 H new ATOM 0 HE22 GLN A 36 14.667 4.206 1.666 1.00 1.29 H new ATOM 582 N LEU A 37 8.548 1.360 3.708 1.00 0.36 N ATOM 583 CA LEU A 37 7.405 1.806 4.479 1.00 0.35 C ATOM 584 C LEU A 37 7.171 0.864 5.643 1.00 0.37 C ATOM 585 O LEU A 37 7.423 -0.328 5.548 1.00 0.48 O ATOM 586 CB LEU A 37 6.164 1.918 3.586 1.00 0.38 C ATOM 587 CG LEU A 37 5.776 0.653 2.811 1.00 0.45 C ATOM 588 CD1 LEU A 37 4.839 -0.226 3.623 1.00 0.94 C ATOM 589 CD2 LEU A 37 5.144 1.023 1.482 1.00 0.94 C ATOM 0 H LEU A 37 8.421 0.460 3.245 1.00 0.36 H new ATOM 0 HA LEU A 37 7.608 2.799 4.881 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.319 2.212 4.208 1.00 0.38 H new ATOM 0 HB3 LEU A 37 6.328 2.723 2.870 1.00 0.38 H new ATOM 0 HG LEU A 37 6.684 0.082 2.620 1.00 0.45 H new ATOM 0 HD11 LEU A 37 4.582 -1.115 3.046 1.00 0.94 H new ATOM 0 HD12 LEU A 37 5.331 -0.524 4.549 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.931 0.329 3.857 1.00 0.94 H new ATOM 0 HD21 LEU A 37 4.874 0.115 0.942 1.00 0.94 H new ATOM 0 HD22 LEU A 37 4.250 1.620 1.658 1.00 0.94 H new ATOM 0 HD23 LEU A 37 5.854 1.599 0.889 1.00 0.94 H new ATOM 601 N GLN A 38 6.690 1.389 6.739 1.00 0.34 N ATOM 602 CA GLN A 38 6.486 0.587 7.918 1.00 0.39 C ATOM 603 C GLN A 38 5.016 0.176 7.965 1.00 0.40 C ATOM 604 O GLN A 38 4.136 0.995 8.226 1.00 0.41 O ATOM 605 CB GLN A 38 6.907 1.404 9.147 1.00 0.45 C ATOM 606 CG GLN A 38 7.370 0.586 10.346 1.00 0.93 C ATOM 607 CD GLN A 38 6.311 -0.360 10.873 1.00 1.37 C ATOM 608 OE1 GLN A 38 5.464 0.025 11.679 1.00 2.05 O ATOM 609 NE2 GLN A 38 6.378 -1.617 10.463 1.00 2.12 N ATOM 0 H GLN A 38 6.431 2.370 6.841 1.00 0.34 H new ATOM 0 HA GLN A 38 7.091 -0.320 7.904 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.712 2.079 8.856 1.00 0.45 H new ATOM 0 HB3 GLN A 38 6.066 2.025 9.455 1.00 0.45 H new ATOM 0 HG2 GLN A 38 8.253 0.012 10.066 1.00 0.93 H new ATOM 0 HG3 GLN A 38 7.671 1.264 11.145 1.00 0.93 H new ATOM 0 HE21 GLN A 38 7.095 -1.898 9.794 1.00 2.12 H new ATOM 0 HE22 GLN A 38 5.713 -2.305 10.816 1.00 2.12 H new ATOM 618 N LEU A 39 4.756 -1.092 7.697 1.00 0.43 N ATOM 619 CA LEU A 39 3.394 -1.575 7.551 1.00 0.46 C ATOM 620 C LEU A 39 3.019 -2.488 8.709 1.00 0.55 C ATOM 621 O LEU A 39 3.340 -3.675 8.701 1.00 0.77 O ATOM 622 CB LEU A 39 3.241 -2.328 6.230 1.00 0.61 C ATOM 623 CG LEU A 39 2.080 -1.862 5.353 1.00 1.05 C ATOM 624 CD1 LEU A 39 2.044 -2.657 4.063 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.755 -1.971 6.094 1.00 1.45 C ATOM 0 H LEU A 39 5.473 -1.808 7.576 1.00 0.43 H new ATOM 0 HA LEU A 39 2.725 -0.715 7.554 1.00 0.46 H new ATOM 0 HB2 LEU A 39 4.167 -2.230 5.664 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.111 -3.388 6.446 1.00 0.61 H new ATOM 0 HG LEU A 39 2.237 -0.811 5.108 1.00 1.05 H new ATOM 0 HD11 LEU A 39 1.212 -2.315 3.448 1.00 1.75 H new ATOM 0 HD12 LEU A 39 2.979 -2.514 3.521 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.915 -3.715 4.291 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.053 -1.633 5.446 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.582 -3.009 6.379 1.00 1.45 H new ATOM 0 HD23 LEU A 39 0.786 -1.350 6.989 1.00 1.45 H new ATOM 637 N SER A 40 2.364 -1.923 9.710 1.00 0.46 N ATOM 638 CA SER A 40 1.927 -2.690 10.867 1.00 0.56 C ATOM 639 C SER A 40 0.402 -2.790 10.919 1.00 0.42 C ATOM 640 O SER A 40 -0.302 -2.096 10.186 1.00 0.37 O ATOM 641 CB SER A 40 2.454 -2.060 12.157 1.00 0.71 C ATOM 642 OG SER A 40 3.874 -2.067 12.190 1.00 1.38 O ATOM 0 H SER A 40 2.122 -0.933 9.745 1.00 0.46 H new ATOM 0 HA SER A 40 2.333 -3.697 10.772 1.00 0.56 H new ATOM 0 HB2 SER A 40 2.091 -1.036 12.239 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.065 -2.606 13.017 1.00 0.71 H new ATOM 0 HG SER A 40 4.210 -1.168 11.994 1.00 1.38 H new ATOM 648 N ALA A 41 -0.100 -3.643 11.801 1.00 0.56 N ATOM 649 CA ALA A 41 -1.523 -3.700 12.090 1.00 0.56 C ATOM 650 C ALA A 41 -1.716 -3.259 13.530 1.00 0.64 C ATOM 651 O ALA A 41 -1.505 -4.036 14.466 1.00 0.84 O ATOM 652 CB ALA A 41 -2.067 -5.104 11.855 1.00 0.89 C ATOM 0 H ALA A 41 0.463 -4.308 12.331 1.00 0.56 H new ATOM 0 HA ALA A 41 -2.077 -3.038 11.424 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -3.134 -5.123 12.078 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.909 -5.386 10.814 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.548 -5.809 12.505 1.00 0.89 H new ATOM 658 N GLU A 42 -2.107 -2.008 13.698 1.00 0.92 N ATOM 659 CA GLU A 42 -1.975 -1.352 14.984 1.00 1.34 C ATOM 660 C GLU A 42 -3.263 -1.371 15.790 1.00 1.34 C ATOM 661 O GLU A 42 -3.226 -1.587 17.002 1.00 1.64 O ATOM 662 CB GLU A 42 -1.457 0.074 14.784 1.00 1.88 C ATOM 663 CG GLU A 42 -0.067 0.110 14.165 1.00 2.46 C ATOM 664 CD GLU A 42 0.561 1.483 14.206 1.00 2.62 C ATOM 665 OE1 GLU A 42 1.076 1.868 15.274 1.00 2.70 O ATOM 666 OE2 GLU A 42 0.565 2.176 13.170 1.00 3.12 O ATOM 0 H GLU A 42 -2.516 -1.430 12.964 1.00 0.92 H new ATOM 0 HA GLU A 42 -1.251 -1.915 15.572 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -2.150 0.622 14.145 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -1.436 0.587 15.745 1.00 1.88 H new ATOM 0 HG2 GLU A 42 0.577 -0.594 14.691 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.127 -0.225 13.130 1.00 2.46 H new ATOM 673 N SER A 43 -4.397 -1.145 15.151 1.00 1.09 N ATOM 674 CA SER A 43 -5.659 -1.220 15.861 1.00 1.14 C ATOM 675 C SER A 43 -6.435 -2.423 15.363 1.00 1.00 C ATOM 676 O SER A 43 -6.034 -3.050 14.384 1.00 1.09 O ATOM 677 CB SER A 43 -6.444 0.070 15.670 1.00 1.24 C ATOM 678 OG SER A 43 -5.621 1.194 15.923 1.00 1.59 O ATOM 0 H SER A 43 -4.470 -0.912 14.161 1.00 1.09 H new ATOM 0 HA SER A 43 -5.481 -1.340 16.930 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.833 0.119 14.653 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.303 0.083 16.341 1.00 1.24 H new ATOM 0 HG SER A 43 -6.140 2.015 15.794 1.00 1.59 H new ATOM 684 N VAL A 44 -7.523 -2.765 16.035 1.00 0.92 N ATOM 685 CA VAL A 44 -8.311 -3.906 15.615 1.00 0.91 C ATOM 686 C VAL A 44 -8.935 -3.611 14.263 1.00 0.77 C ATOM 687 O VAL A 44 -9.703 -2.664 14.116 1.00 0.79 O ATOM 688 CB VAL A 44 -9.420 -4.257 16.635 1.00 1.07 C ATOM 689 CG1 VAL A 44 -10.205 -5.485 16.186 1.00 1.85 C ATOM 690 CG2 VAL A 44 -8.824 -4.490 18.014 1.00 1.83 C ATOM 0 H VAL A 44 -7.874 -2.277 16.859 1.00 0.92 H new ATOM 0 HA VAL A 44 -7.645 -4.767 15.548 1.00 0.91 H new ATOM 0 HB VAL A 44 -10.106 -3.412 16.689 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -10.978 -5.711 16.920 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -10.669 -5.287 15.220 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -9.530 -6.336 16.097 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -9.620 -4.736 18.717 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -8.113 -5.315 17.968 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -8.312 -3.587 18.346 1.00 1.83 H new ATOM 700 N GLY A 45 -8.555 -4.385 13.263 1.00 0.73 N ATOM 701 CA GLY A 45 -9.173 -4.266 11.963 1.00 0.67 C ATOM 702 C GLY A 45 -8.391 -3.371 11.027 1.00 0.54 C ATOM 703 O GLY A 45 -8.448 -3.547 9.809 1.00 0.56 O ATOM 0 H GLY A 45 -7.827 -5.096 13.328 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -9.268 -5.256 11.518 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -10.182 -3.871 12.079 1.00 0.67 H new ATOM 707 N GLU A 46 -7.650 -2.412 11.577 1.00 0.56 N ATOM 708 CA GLU A 46 -6.926 -1.474 10.737 1.00 0.50 C ATOM 709 C GLU A 46 -5.442 -1.769 10.665 1.00 0.40 C ATOM 710 O GLU A 46 -4.822 -2.253 11.612 1.00 0.48 O ATOM 711 CB GLU A 46 -7.154 -0.017 11.151 1.00 0.75 C ATOM 712 CG GLU A 46 -7.437 0.178 12.621 1.00 1.02 C ATOM 713 CD GLU A 46 -8.911 0.378 12.897 1.00 1.35 C ATOM 714 OE1 GLU A 46 -9.729 -0.415 12.399 1.00 1.80 O ATOM 715 OE2 GLU A 46 -9.266 1.345 13.597 1.00 1.67 O ATOM 0 H GLU A 46 -7.539 -2.269 12.581 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.340 -1.612 9.738 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.273 0.566 10.883 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.989 0.385 10.577 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -7.079 -0.689 13.176 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -6.880 1.042 12.985 1.00 1.02 H new ATOM 722 N VAL A 47 -4.906 -1.493 9.498 1.00 0.33 N ATOM 723 CA VAL A 47 -3.488 -1.598 9.227 1.00 0.33 C ATOM 724 C VAL A 47 -2.955 -0.238 8.835 1.00 0.33 C ATOM 725 O VAL A 47 -3.650 0.541 8.178 1.00 0.36 O ATOM 726 CB VAL A 47 -3.151 -2.613 8.122 1.00 0.40 C ATOM 727 CG1 VAL A 47 -3.425 -4.030 8.593 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.925 -2.312 6.846 1.00 0.48 C ATOM 0 H VAL A 47 -5.453 -1.183 8.695 1.00 0.33 H new ATOM 0 HA VAL A 47 -3.016 -1.958 10.141 1.00 0.33 H new ATOM 0 HB VAL A 47 -2.088 -2.524 7.899 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -3.180 -4.732 7.796 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.813 -4.247 9.469 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -4.479 -4.130 8.853 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.667 -3.046 6.082 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.995 -2.361 7.049 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.668 -1.314 6.492 1.00 0.48 H new ATOM 738 N TYR A 48 -1.743 0.066 9.239 1.00 0.34 N ATOM 739 CA TYR A 48 -1.211 1.391 9.015 1.00 0.36 C ATOM 740 C TYR A 48 -0.021 1.337 8.089 1.00 0.38 C ATOM 741 O TYR A 48 0.977 0.665 8.357 1.00 0.39 O ATOM 742 CB TYR A 48 -0.790 2.043 10.330 1.00 0.41 C ATOM 743 CG TYR A 48 -1.860 2.890 10.977 1.00 0.55 C ATOM 744 CD1 TYR A 48 -2.793 2.334 11.841 1.00 1.47 C ATOM 745 CD2 TYR A 48 -1.921 4.257 10.735 1.00 0.91 C ATOM 746 CE1 TYR A 48 -3.760 3.114 12.444 1.00 1.79 C ATOM 747 CE2 TYR A 48 -2.882 5.048 11.336 1.00 1.00 C ATOM 748 CZ TYR A 48 -3.802 4.469 12.192 1.00 1.23 C ATOM 749 OH TYR A 48 -4.762 5.244 12.805 1.00 1.60 O ATOM 0 H TYR A 48 -1.113 -0.577 9.719 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.001 1.987 8.558 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -0.490 1.262 11.029 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.088 2.664 10.149 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -2.762 1.274 12.045 1.00 1.47 H new ATOM 0 HD2 TYR A 48 -1.205 4.709 10.065 1.00 0.91 H new ATOM 0 HE1 TYR A 48 -4.481 2.664 13.111 1.00 1.79 H new ATOM 0 HE2 TYR A 48 -2.915 6.109 11.139 1.00 1.00 H new ATOM 0 HH TYR A 48 -4.415 6.151 12.936 1.00 1.60 H new ATOM 759 N ILE A 49 -0.145 2.073 7.004 1.00 0.42 N ATOM 760 CA ILE A 49 0.919 2.222 6.049 1.00 0.44 C ATOM 761 C ILE A 49 1.616 3.538 6.324 1.00 0.42 C ATOM 762 O ILE A 49 1.112 4.611 5.995 1.00 0.52 O ATOM 763 CB ILE A 49 0.388 2.183 4.602 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.380 0.879 4.362 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.542 2.307 3.617 1.00 0.58 C ATOM 766 CD1 ILE A 49 -0.857 0.700 2.937 1.00 1.20 C ATOM 0 H ILE A 49 -0.994 2.585 6.764 1.00 0.42 H new ATOM 0 HA ILE A 49 1.619 1.393 6.153 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.290 3.023 4.450 1.00 0.52 H new ATOM 0 HG12 ILE A 49 0.260 0.038 4.629 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.241 0.848 5.029 1.00 0.62 H new ATOM 0 HG21 ILE A 49 1.155 2.278 2.598 1.00 0.58 H new ATOM 0 HG22 ILE A 49 2.061 3.251 3.782 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.237 1.480 3.765 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -1.391 -0.246 2.848 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -1.524 1.520 2.671 1.00 1.20 H new ATOM 0 HD13 ILE A 49 0.000 0.697 2.264 1.00 1.20 H new ATOM 778 N LYS A 50 2.752 3.445 6.969 1.00 0.36 N ATOM 779 CA LYS A 50 3.449 4.617 7.441 1.00 0.37 C ATOM 780 C LYS A 50 4.829 4.668 6.819 1.00 0.35 C ATOM 781 O LYS A 50 5.378 3.646 6.436 1.00 0.36 O ATOM 782 CB LYS A 50 3.536 4.623 8.978 1.00 0.44 C ATOM 783 CG LYS A 50 4.533 3.629 9.543 1.00 0.93 C ATOM 784 CD LYS A 50 4.650 3.698 11.061 1.00 0.88 C ATOM 785 CE LYS A 50 3.538 2.932 11.768 1.00 1.35 C ATOM 786 NZ LYS A 50 2.261 3.693 11.817 1.00 1.86 N ATOM 0 H LYS A 50 3.217 2.562 7.181 1.00 0.36 H new ATOM 0 HA LYS A 50 2.893 5.506 7.142 1.00 0.37 H new ATOM 0 HB2 LYS A 50 3.807 5.624 9.312 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.550 4.406 9.388 1.00 0.44 H new ATOM 0 HG2 LYS A 50 4.237 2.621 9.253 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.512 3.813 9.100 1.00 0.93 H new ATOM 0 HD2 LYS A 50 5.615 3.295 11.366 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.626 4.741 11.377 1.00 0.88 H new ATOM 0 HE2 LYS A 50 3.372 1.984 11.256 1.00 1.35 H new ATOM 0 HE3 LYS A 50 3.854 2.695 12.784 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 1.685 3.354 12.614 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 2.465 4.705 11.943 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 1.739 3.553 10.928 1.00 1.86 H new ATOM 800 N SER A 51 5.375 5.852 6.692 1.00 0.40 N ATOM 801 CA SER A 51 6.707 6.009 6.185 1.00 0.39 C ATOM 802 C SER A 51 7.690 5.755 7.294 1.00 0.39 C ATOM 803 O SER A 51 7.471 6.144 8.441 1.00 0.48 O ATOM 804 CB SER A 51 6.903 7.450 5.713 1.00 0.48 C ATOM 805 OG SER A 51 5.831 7.889 4.908 1.00 1.10 O ATOM 0 H SER A 51 4.909 6.726 6.936 1.00 0.40 H new ATOM 0 HA SER A 51 6.862 5.311 5.362 1.00 0.39 H new ATOM 0 HB2 SER A 51 7.000 8.106 6.578 1.00 0.48 H new ATOM 0 HB3 SER A 51 7.834 7.525 5.151 1.00 0.48 H new ATOM 0 HG SER A 51 5.160 8.331 5.469 1.00 1.10 H new ATOM 811 N THR A 52 8.755 5.070 6.945 1.00 0.35 N ATOM 812 CA THR A 52 9.900 5.034 7.787 1.00 0.41 C ATOM 813 C THR A 52 10.581 6.370 7.575 1.00 0.45 C ATOM 814 O THR A 52 10.139 7.374 8.130 1.00 0.53 O ATOM 815 CB THR A 52 10.825 3.860 7.419 1.00 0.43 C ATOM 816 OG1 THR A 52 10.040 2.678 7.229 1.00 0.62 O ATOM 817 CG2 THR A 52 11.847 3.608 8.507 1.00 0.77 C ATOM 0 H THR A 52 8.840 4.534 6.081 1.00 0.35 H new ATOM 0 HA THR A 52 9.636 4.878 8.833 1.00 0.41 H new ATOM 0 HB THR A 52 11.353 4.115 6.500 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.787 2.602 6.285 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.486 2.773 8.219 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.457 4.501 8.647 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.335 3.368 9.439 1.00 0.77 H new ATOM 825 N GLU A 53 11.620 6.423 6.788 1.00 0.46 N ATOM 826 CA GLU A 53 12.116 7.730 6.388 1.00 0.53 C ATOM 827 C GLU A 53 11.475 8.190 5.076 1.00 0.44 C ATOM 828 O GLU A 53 10.942 9.292 4.982 1.00 0.47 O ATOM 829 CB GLU A 53 13.636 7.699 6.246 1.00 0.68 C ATOM 830 CG GLU A 53 14.364 7.758 7.576 1.00 1.43 C ATOM 831 CD GLU A 53 14.170 9.085 8.279 1.00 1.83 C ATOM 832 OE1 GLU A 53 14.959 10.020 8.033 1.00 2.55 O ATOM 833 OE2 GLU A 53 13.224 9.198 9.086 1.00 2.11 O ATOM 0 H GLU A 53 12.128 5.619 6.419 1.00 0.46 H new ATOM 0 HA GLU A 53 11.844 8.443 7.166 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.926 6.789 5.721 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.954 8.539 5.628 1.00 0.68 H new ATOM 0 HG2 GLU A 53 14.007 6.953 8.219 1.00 1.43 H new ATOM 0 HG3 GLU A 53 15.428 7.588 7.413 1.00 1.43 H new ATOM 840 N THR A 54 11.506 7.318 4.085 1.00 0.36 N ATOM 841 CA THR A 54 11.013 7.630 2.745 1.00 0.30 C ATOM 842 C THR A 54 9.792 6.809 2.329 1.00 0.31 C ATOM 843 O THR A 54 9.554 6.655 1.135 1.00 0.38 O ATOM 844 CB THR A 54 12.142 7.452 1.720 1.00 0.40 C ATOM 845 OG1 THR A 54 13.377 7.212 2.412 1.00 1.13 O ATOM 846 CG2 THR A 54 12.288 8.690 0.846 1.00 0.93 C ATOM 0 H THR A 54 11.873 6.371 4.181 1.00 0.36 H new ATOM 0 HA THR A 54 10.684 8.669 2.772 1.00 0.30 H new ATOM 0 HB THR A 54 11.897 6.605 1.080 1.00 0.40 H new ATOM 0 HG1 THR A 54 14.012 6.776 1.806 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.095 8.536 0.129 1.00 0.93 H new ATOM 0 HG22 THR A 54 11.356 8.869 0.310 1.00 0.93 H new ATOM 0 HG23 THR A 54 12.518 9.552 1.472 1.00 0.93 H new ATOM 854 N GLY A 55 9.029 6.244 3.261 1.00 0.33 N ATOM 855 CA GLY A 55 8.282 5.067 2.867 1.00 0.40 C ATOM 856 C GLY A 55 6.876 5.247 2.342 1.00 0.46 C ATOM 857 O GLY A 55 6.458 4.366 1.599 1.00 0.56 O ATOM 0 H GLY A 55 8.918 6.557 4.225 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.859 4.550 2.100 1.00 0.40 H new ATOM 0 HA3 GLY A 55 8.231 4.403 3.730 1.00 0.40 H new ATOM 861 N GLN A 56 6.139 6.304 2.735 1.00 0.43 N ATOM 862 CA GLN A 56 5.049 6.894 1.908 1.00 0.54 C ATOM 863 C GLN A 56 3.914 7.499 2.773 1.00 0.56 C ATOM 864 O GLN A 56 3.523 6.937 3.803 1.00 0.63 O ATOM 865 CB GLN A 56 4.497 5.926 0.839 1.00 0.81 C ATOM 866 CG GLN A 56 3.555 4.859 1.348 1.00 0.91 C ATOM 867 CD GLN A 56 2.182 5.418 1.493 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.429 5.015 2.363 1.00 2.18 O ATOM 869 NE2 GLN A 56 1.862 6.372 0.627 1.00 1.06 N ATOM 0 H GLN A 56 6.275 6.776 3.629 1.00 0.43 H new ATOM 0 HA GLN A 56 5.514 7.715 1.362 1.00 0.54 H new ATOM 0 HB2 GLN A 56 3.979 6.510 0.079 1.00 0.81 H new ATOM 0 HB3 GLN A 56 5.339 5.438 0.347 1.00 0.81 H new ATOM 0 HG2 GLN A 56 3.542 4.015 0.658 1.00 0.91 H new ATOM 0 HG3 GLN A 56 3.906 4.481 2.308 1.00 0.91 H new ATOM 0 HE21 GLN A 56 2.536 6.667 -0.079 1.00 1.06 H new ATOM 0 HE22 GLN A 56 0.942 6.810 0.668 1.00 1.06 H new ATOM 878 N TYR A 57 3.327 8.597 2.315 1.00 0.57 N ATOM 879 CA TYR A 57 2.215 9.221 3.033 1.00 0.62 C ATOM 880 C TYR A 57 0.922 8.899 2.357 1.00 0.59 C ATOM 881 O TYR A 57 0.405 9.711 1.602 1.00 0.67 O ATOM 882 CB TYR A 57 2.361 10.748 3.116 1.00 0.76 C ATOM 883 CG TYR A 57 1.094 11.492 3.509 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.277 11.037 4.537 1.00 2.17 C ATOM 885 CD2 TYR A 57 0.708 12.640 2.828 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.883 11.702 4.872 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.450 13.315 3.162 1.00 3.64 C ATOM 888 CZ TYR A 57 -1.242 12.841 4.183 1.00 3.91 C ATOM 889 OH TYR A 57 -2.401 13.505 4.516 1.00 4.98 O ATOM 0 H TYR A 57 3.598 9.074 1.455 1.00 0.57 H new ATOM 0 HA TYR A 57 2.227 8.820 4.046 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.143 10.985 3.838 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.698 11.119 2.148 1.00 0.76 H new ATOM 0 HD1 TYR A 57 0.556 10.148 5.083 1.00 2.17 H new ATOM 0 HD2 TYR A 57 1.325 13.011 2.023 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -1.508 11.332 5.671 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -0.732 14.209 2.625 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.508 14.288 3.936 1.00 4.98 H new ATOM 899 N LEU A 58 0.350 7.762 2.644 1.00 0.55 N ATOM 900 CA LEU A 58 -0.827 7.412 1.896 1.00 0.58 C ATOM 901 C LEU A 58 -1.996 8.229 2.350 1.00 0.56 C ATOM 902 O LEU A 58 -2.498 8.135 3.460 1.00 0.72 O ATOM 903 CB LEU A 58 -1.154 5.932 1.933 1.00 0.70 C ATOM 904 CG LEU A 58 -1.414 5.362 0.547 1.00 1.32 C ATOM 905 CD1 LEU A 58 -1.245 3.853 0.539 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.804 5.743 0.071 1.00 1.85 C ATOM 0 H LEU A 58 0.657 7.093 3.350 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.608 7.642 0.853 1.00 0.58 H new ATOM 0 HB2 LEU A 58 -0.329 5.392 2.396 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -2.031 5.772 2.559 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.681 5.788 -0.138 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -1.437 3.471 -0.464 1.00 1.59 H new ATOM 0 HD12 LEU A 58 -0.227 3.599 0.836 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -1.950 3.404 1.239 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.975 5.328 -0.922 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -3.547 5.346 0.763 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.890 6.829 0.030 1.00 1.85 H new ATOM 918 N ALA A 59 -2.353 9.092 1.458 1.00 0.47 N ATOM 919 CA ALA A 59 -3.479 9.941 1.606 1.00 0.46 C ATOM 920 C ALA A 59 -4.570 9.413 0.712 1.00 0.46 C ATOM 921 O ALA A 59 -4.394 9.286 -0.502 1.00 0.51 O ATOM 922 CB ALA A 59 -3.106 11.372 1.247 1.00 0.54 C ATOM 0 H ALA A 59 -1.851 9.227 0.580 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.827 9.951 2.639 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -3.978 12.016 1.364 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.309 11.717 1.906 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.763 11.410 0.213 1.00 0.54 H new ATOM 928 N MET A 60 -5.685 9.084 1.310 1.00 0.48 N ATOM 929 CA MET A 60 -6.822 8.634 0.542 1.00 0.52 C ATOM 930 C MET A 60 -7.548 9.832 -0.089 1.00 0.55 C ATOM 931 O MET A 60 -7.760 10.861 0.557 1.00 0.74 O ATOM 932 CB MET A 60 -7.771 7.924 1.513 1.00 0.66 C ATOM 933 CG MET A 60 -8.376 8.891 2.531 1.00 1.76 C ATOM 934 SD MET A 60 -9.209 8.085 3.906 1.00 2.80 S ATOM 935 CE MET A 60 -9.671 9.513 4.888 1.00 3.74 C ATOM 0 H MET A 60 -5.833 9.118 2.319 1.00 0.48 H new ATOM 0 HA MET A 60 -6.499 7.968 -0.258 1.00 0.52 H new ATOM 0 HB2 MET A 60 -8.571 7.442 0.951 1.00 0.66 H new ATOM 0 HB3 MET A 60 -7.230 7.136 2.038 1.00 0.66 H new ATOM 0 HG2 MET A 60 -7.585 9.530 2.924 1.00 1.76 H new ATOM 0 HG3 MET A 60 -9.087 9.541 2.021 1.00 1.76 H new ATOM 0 HE1 MET A 60 -10.276 9.191 5.736 1.00 3.74 H new ATOM 0 HE2 MET A 60 -8.772 10.011 5.252 1.00 3.74 H new ATOM 0 HE3 MET A 60 -10.246 10.206 4.274 1.00 3.74 H new ATOM 945 N ASP A 61 -7.886 9.715 -1.373 1.00 0.51 N ATOM 946 CA ASP A 61 -8.599 10.782 -2.064 1.00 0.56 C ATOM 947 C ASP A 61 -10.045 10.377 -2.204 1.00 0.56 C ATOM 948 O ASP A 61 -10.474 9.922 -3.266 1.00 0.64 O ATOM 949 CB ASP A 61 -7.995 11.052 -3.435 1.00 0.71 C ATOM 950 CG ASP A 61 -8.605 12.263 -4.113 1.00 1.02 C ATOM 951 OD1 ASP A 61 -8.306 13.402 -3.699 1.00 1.58 O ATOM 952 OD2 ASP A 61 -9.395 12.081 -5.060 1.00 1.34 O ATOM 0 H ASP A 61 -7.679 8.899 -1.949 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.518 11.701 -1.484 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -6.920 11.201 -3.331 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -8.136 10.176 -4.069 1.00 0.71 H new ATOM 957 N THR A 62 -10.754 10.500 -1.088 1.00 0.65 N ATOM 958 CA THR A 62 -12.104 10.060 -0.903 1.00 0.83 C ATOM 959 C THR A 62 -12.111 8.551 -0.846 1.00 0.87 C ATOM 960 O THR A 62 -12.388 7.978 0.213 1.00 1.31 O ATOM 961 CB THR A 62 -13.102 10.624 -1.939 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.944 10.033 -3.236 1.00 1.47 O ATOM 963 CG2 THR A 62 -12.970 12.136 -2.056 1.00 1.55 C ATOM 0 H THR A 62 -10.368 10.935 -0.250 1.00 0.65 H new ATOM 0 HA THR A 62 -12.466 10.465 0.042 1.00 0.83 H new ATOM 0 HB THR A 62 -14.096 10.369 -1.572 1.00 0.97 H new ATOM 0 HG1 THR A 62 -12.097 10.330 -3.630 1.00 1.47 H new ATOM 0 HG21 THR A 62 -13.683 12.508 -2.792 1.00 1.55 H new ATOM 0 HG22 THR A 62 -13.174 12.595 -1.089 1.00 1.55 H new ATOM 0 HG23 THR A 62 -11.958 12.390 -2.372 1.00 1.55 H new ATOM 971 N ASP A 63 -11.748 7.938 -1.968 1.00 0.78 N ATOM 972 CA ASP A 63 -11.475 6.504 -2.039 1.00 0.88 C ATOM 973 C ASP A 63 -11.279 6.049 -3.493 1.00 0.87 C ATOM 974 O ASP A 63 -11.316 4.864 -3.796 1.00 0.96 O ATOM 975 CB ASP A 63 -12.627 5.750 -1.405 1.00 1.05 C ATOM 976 CG ASP A 63 -12.191 4.515 -0.668 1.00 1.19 C ATOM 977 OD1 ASP A 63 -10.983 4.205 -0.685 1.00 1.54 O ATOM 978 OD2 ASP A 63 -13.056 3.880 -0.024 1.00 1.42 O ATOM 0 H ASP A 63 -11.634 8.423 -2.858 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.552 6.293 -1.499 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -13.150 6.412 -0.715 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.340 5.470 -2.180 1.00 1.05 H new ATOM 983 N GLY A 64 -11.031 7.006 -4.382 1.00 0.82 N ATOM 984 CA GLY A 64 -11.013 6.725 -5.811 1.00 0.89 C ATOM 985 C GLY A 64 -9.612 6.648 -6.377 1.00 0.90 C ATOM 986 O GLY A 64 -9.387 6.075 -7.447 1.00 1.17 O ATOM 0 H GLY A 64 -10.841 7.978 -4.138 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.527 5.782 -5.998 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.570 7.501 -6.336 1.00 0.89 H new ATOM 990 N LEU A 65 -8.676 7.228 -5.657 1.00 0.72 N ATOM 991 CA LEU A 65 -7.272 7.219 -6.035 1.00 0.71 C ATOM 992 C LEU A 65 -6.442 7.473 -4.795 1.00 0.67 C ATOM 993 O LEU A 65 -6.711 8.408 -4.035 1.00 0.79 O ATOM 994 CB LEU A 65 -6.990 8.263 -7.126 1.00 0.74 C ATOM 995 CG LEU A 65 -5.521 8.451 -7.522 1.00 1.41 C ATOM 996 CD1 LEU A 65 -5.427 8.840 -8.986 1.00 2.03 C ATOM 997 CD2 LEU A 65 -4.856 9.514 -6.659 1.00 2.04 C ATOM 0 H LEU A 65 -8.865 7.724 -4.786 1.00 0.72 H new ATOM 0 HA LEU A 65 -7.006 6.249 -6.454 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.552 7.986 -8.018 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -7.379 9.224 -6.789 1.00 0.74 H new ATOM 0 HG LEU A 65 -5.000 7.507 -7.364 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -4.381 8.972 -9.261 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -5.867 8.054 -9.600 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -5.966 9.773 -9.150 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -3.815 9.628 -6.960 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -5.376 10.463 -6.786 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -4.900 9.213 -5.612 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.492 6.596 -4.535 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.737 6.677 -3.311 1.00 0.68 C ATOM 1011 C LEU A 66 -3.307 7.155 -3.552 1.00 0.63 C ATOM 1012 O LEU A 66 -2.491 6.483 -4.174 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.739 5.312 -2.656 1.00 0.90 C ATOM 1014 CG LEU A 66 -6.078 4.554 -2.658 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -7.283 5.459 -2.481 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -6.256 3.694 -3.908 1.00 1.56 C ATOM 0 H LEU A 66 -5.230 5.827 -5.152 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.205 7.412 -2.656 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.995 4.692 -3.156 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -4.414 5.429 -1.622 1.00 0.90 H new ATOM 0 HG LEU A 66 -6.028 3.900 -1.787 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -8.193 4.859 -2.492 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -7.206 5.985 -1.529 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -7.316 6.184 -3.294 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -7.216 3.179 -3.862 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -6.227 4.329 -4.794 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -5.453 2.959 -3.962 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.981 8.296 -3.010 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.671 8.885 -3.308 1.00 0.63 C ATOM 1030 C TYR A 67 -0.899 9.140 -2.029 1.00 0.70 C ATOM 1031 O TYR A 67 -1.499 9.427 -1.017 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.845 10.178 -4.116 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.646 11.263 -3.419 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -4.034 11.257 -3.449 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -2.011 12.282 -2.718 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.767 12.233 -2.803 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.737 13.264 -2.072 1.00 1.16 C ATOM 1038 CZ TYR A 67 -4.109 13.269 -2.166 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.843 14.205 -1.465 1.00 1.64 O ATOM 0 H TYR A 67 -3.572 8.835 -2.377 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.096 8.181 -3.910 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.859 10.574 -4.358 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.332 9.936 -5.061 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.550 10.475 -3.987 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.932 12.306 -2.678 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.846 12.187 -2.795 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.230 14.024 -1.496 1.00 1.16 H new ATOM 0 HH TYR A 67 -4.238 14.869 -1.073 1.00 1.64 H new ATOM 1049 N GLY A 68 0.432 9.082 -2.070 1.00 0.66 N ATOM 1050 CA GLY A 68 1.169 9.175 -0.828 1.00 0.80 C ATOM 1051 C GLY A 68 2.646 9.466 -0.947 1.00 0.81 C ATOM 1052 O GLY A 68 3.313 8.889 -1.792 1.00 0.85 O ATOM 0 H GLY A 68 0.995 8.976 -2.914 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.714 9.956 -0.218 1.00 0.80 H new ATOM 0 HA3 GLY A 68 1.048 8.237 -0.287 1.00 0.80 H new ATOM 1056 N SER A 69 3.184 10.339 -0.083 1.00 0.91 N ATOM 1057 CA SER A 69 4.652 10.485 -0.053 1.00 1.08 C ATOM 1058 C SER A 69 5.321 10.834 1.302 1.00 1.38 C ATOM 1059 O SER A 69 6.216 10.118 1.749 1.00 1.62 O ATOM 1060 CB SER A 69 5.052 11.549 -1.068 1.00 1.08 C ATOM 1061 OG SER A 69 6.458 11.651 -1.192 1.00 1.39 O ATOM 0 H SER A 69 2.664 10.925 0.570 1.00 0.91 H new ATOM 0 HA SER A 69 5.018 9.484 -0.281 1.00 1.08 H new ATOM 0 HB2 SER A 69 4.618 11.308 -2.038 1.00 1.08 H new ATOM 0 HB3 SER A 69 4.642 12.513 -0.766 1.00 1.08 H new ATOM 0 HG SER A 69 6.690 11.867 -2.119 1.00 1.39 H new ATOM 1067 N GLN A 70 4.885 11.898 1.955 1.00 1.49 N ATOM 1068 CA GLN A 70 5.739 12.546 2.978 1.00 1.85 C ATOM 1069 C GLN A 70 5.657 11.970 4.404 1.00 1.93 C ATOM 1070 O GLN A 70 6.676 11.777 5.069 1.00 2.19 O ATOM 1071 CB GLN A 70 5.436 14.045 3.017 1.00 2.07 C ATOM 1072 CG GLN A 70 3.954 14.380 3.063 1.00 2.63 C ATOM 1073 CD GLN A 70 3.691 15.872 3.123 1.00 3.22 C ATOM 1074 OE1 GLN A 70 3.610 16.458 4.203 1.00 3.66 O ATOM 1075 NE2 GLN A 70 3.562 16.498 1.966 1.00 3.79 N ATOM 0 H GLN A 70 3.974 12.334 1.813 1.00 1.49 H new ATOM 0 HA GLN A 70 6.759 12.338 2.656 1.00 1.85 H new ATOM 0 HB2 GLN A 70 5.923 14.480 3.890 1.00 2.07 H new ATOM 0 HB3 GLN A 70 5.877 14.516 2.138 1.00 2.07 H new ATOM 0 HG2 GLN A 70 3.465 13.964 2.182 1.00 2.63 H new ATOM 0 HG3 GLN A 70 3.505 13.901 3.933 1.00 2.63 H new ATOM 0 HE21 GLN A 70 3.636 15.976 1.093 1.00 3.79 H new ATOM 0 HE22 GLN A 70 3.389 17.503 1.946 1.00 3.79 H new ATOM 1084 N THR A 71 4.453 11.695 4.843 1.00 1.75 N ATOM 1085 CA THR A 71 4.149 11.461 6.259 1.00 1.78 C ATOM 1086 C THR A 71 3.358 10.169 6.483 1.00 1.56 C ATOM 1087 O THR A 71 3.090 9.440 5.551 1.00 1.63 O ATOM 1088 CB THR A 71 3.327 12.644 6.795 1.00 1.94 C ATOM 1089 OG1 THR A 71 2.469 13.139 5.755 1.00 2.26 O ATOM 1090 CG2 THR A 71 4.225 13.761 7.300 1.00 2.31 C ATOM 0 H THR A 71 3.639 11.624 4.232 1.00 1.75 H new ATOM 0 HA THR A 71 5.098 11.365 6.787 1.00 1.78 H new ATOM 0 HB THR A 71 2.728 12.292 7.635 1.00 1.94 H new ATOM 0 HG1 THR A 71 1.960 12.396 5.369 1.00 2.26 H new ATOM 0 HG21 THR A 71 3.611 14.581 7.672 1.00 2.31 H new ATOM 0 HG22 THR A 71 4.855 13.385 8.106 1.00 2.31 H new ATOM 0 HG23 THR A 71 4.854 14.119 6.485 1.00 2.31 H new ATOM 1098 N PRO A 72 3.036 9.810 7.729 1.00 1.41 N ATOM 1099 CA PRO A 72 1.952 8.889 7.993 1.00 1.20 C ATOM 1100 C PRO A 72 0.830 9.526 8.834 1.00 1.04 C ATOM 1101 O PRO A 72 0.967 9.701 10.046 1.00 1.06 O ATOM 1102 CB PRO A 72 2.676 7.862 8.843 1.00 1.31 C ATOM 1103 CG PRO A 72 3.736 8.653 9.590 1.00 1.49 C ATOM 1104 CD PRO A 72 3.798 10.035 8.947 1.00 1.53 C ATOM 0 HA PRO A 72 1.465 8.524 7.089 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.992 7.367 9.533 1.00 1.31 H new ATOM 0 HB3 PRO A 72 3.125 7.084 8.226 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.485 8.731 10.648 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.704 8.155 9.528 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.350 10.803 9.577 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.821 10.348 8.741 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.270 9.893 8.192 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.416 10.441 8.903 1.00 0.86 C ATOM 1114 C ASN A 73 -2.332 9.289 9.141 1.00 0.68 C ATOM 1115 O ASN A 73 -1.977 8.161 8.794 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.105 11.550 8.101 1.00 0.98 C ATOM 1117 CG ASN A 73 -1.346 12.865 8.163 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -1.711 13.719 9.107 1.00 2.21 O flip ATOM 1119 ND2 ASN A 73 -0.443 13.115 7.366 1.00 2.17 N flip ATOM 0 H ASN A 73 -0.393 9.821 7.182 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.112 10.908 9.840 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -2.201 11.237 7.061 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -3.115 11.698 8.484 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -0.189 12.432 6.652 1.00 2.17 H new ATOM 0 HD22 ASN A 73 0.052 14.005 7.419 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.518 9.495 9.656 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.447 8.535 9.216 1.00 0.47 C ATOM 1128 C GLU A 74 -5.282 9.228 8.177 1.00 0.52 C ATOM 1129 O GLU A 74 -6.225 9.976 8.415 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.308 7.980 10.361 1.00 0.49 C ATOM 1131 CG GLU A 74 -6.084 9.025 11.150 1.00 1.15 C ATOM 1132 CD GLU A 74 -5.241 9.729 12.187 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -4.573 10.721 11.831 1.00 2.11 O ATOM 1134 OE2 GLU A 74 -5.239 9.298 13.359 1.00 1.84 O ATOM 0 H GLU A 74 -3.823 10.226 10.299 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.939 7.662 8.807 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -6.015 7.261 9.948 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -4.662 7.434 11.049 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -6.493 9.763 10.460 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -6.930 8.546 11.642 1.00 1.15 H new ATOM 1141 N GLU A 75 -4.857 8.879 7.002 1.00 0.49 N ATOM 1142 CA GLU A 75 -5.559 8.942 5.761 1.00 0.52 C ATOM 1143 C GLU A 75 -5.334 7.599 5.124 1.00 0.40 C ATOM 1144 O GLU A 75 -6.130 7.117 4.315 1.00 0.47 O ATOM 1145 CB GLU A 75 -4.970 10.024 4.861 1.00 0.69 C ATOM 1146 CG GLU A 75 -5.136 11.438 5.384 1.00 0.89 C ATOM 1147 CD GLU A 75 -6.575 11.901 5.352 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -7.211 11.806 4.283 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -7.082 12.348 6.400 1.00 2.16 O ATOM 0 H GLU A 75 -3.916 8.506 6.879 1.00 0.49 H new ATOM 0 HA GLU A 75 -6.613 9.176 5.909 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -3.908 9.824 4.722 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -5.438 9.956 3.879 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -4.764 11.490 6.407 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -4.526 12.117 4.788 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.162 7.029 5.477 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.706 5.799 4.878 1.00 0.47 C ATOM 1158 C CYS A 76 -4.287 4.553 5.548 1.00 0.40 C ATOM 1159 O CYS A 76 -3.996 3.441 5.128 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.183 5.729 4.973 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.544 5.887 6.656 1.00 1.40 S ATOM 0 H CYS A 76 -3.529 7.417 6.176 1.00 0.37 H new ATOM 0 HA CYS A 76 -4.046 5.808 3.843 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.846 4.780 4.555 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.754 6.519 4.357 1.00 0.68 H new ATOM 0 HG CYS A 76 -0.341 5.396 6.711 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.090 4.720 6.587 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.538 3.576 7.360 1.00 0.46 C ATOM 1169 C LEU A 77 -6.521 2.759 6.549 1.00 0.39 C ATOM 1170 O LEU A 77 -7.522 3.274 6.010 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.116 3.982 8.733 1.00 0.66 C ATOM 1172 CG LEU A 77 -7.486 4.676 8.754 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -8.622 3.661 8.726 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -7.606 5.542 9.992 1.00 1.59 C ATOM 0 H LEU A 77 -5.440 5.622 6.910 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.669 2.955 7.578 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -6.186 3.084 9.346 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -5.398 4.644 9.217 1.00 0.66 H new ATOM 0 HG LEU A 77 -7.562 5.297 7.862 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -9.578 4.184 8.742 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -8.552 3.061 7.819 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -8.550 3.010 9.598 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -8.580 6.031 10.001 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -7.504 4.921 10.882 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -6.820 6.298 9.985 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.205 1.491 6.421 1.00 0.39 N ATOM 1187 CA PHE A 78 -6.982 0.598 5.631 1.00 0.39 C ATOM 1188 C PHE A 78 -7.418 -0.589 6.484 1.00 0.36 C ATOM 1189 O PHE A 78 -6.847 -0.847 7.543 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.165 0.127 4.425 1.00 0.53 C ATOM 1191 CG PHE A 78 -5.637 1.253 3.573 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -6.411 2.372 3.313 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.370 1.183 3.019 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -5.928 3.397 2.516 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -3.886 2.200 2.218 1.00 0.78 C ATOM 1196 CZ PHE A 78 -4.659 3.357 2.034 1.00 0.84 C ATOM 0 H PHE A 78 -5.396 1.060 6.869 1.00 0.39 H new ATOM 0 HA PHE A 78 -7.871 1.111 5.265 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.327 -0.474 4.778 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -6.786 -0.523 3.808 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -7.402 2.446 3.736 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -3.750 0.321 3.216 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -6.566 4.235 2.276 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -2.923 2.105 1.739 1.00 0.78 H new ATOM 0 HZ PHE A 78 -4.248 4.209 1.513 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.433 -1.287 6.021 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.966 -2.449 6.711 1.00 0.37 C ATOM 1208 C LEU A 79 -8.275 -3.694 6.172 1.00 0.35 C ATOM 1209 O LEU A 79 -8.046 -3.803 4.970 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.485 -2.518 6.513 1.00 0.44 C ATOM 1211 CG LEU A 79 -11.294 -3.084 7.686 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -12.771 -2.791 7.488 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -11.076 -4.583 7.833 1.00 1.09 C ATOM 0 H LEU A 79 -8.916 -1.065 5.151 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.776 -2.379 7.782 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.849 -1.513 6.299 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.689 -3.126 5.631 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.949 -2.600 8.600 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -13.338 -3.197 8.326 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -12.924 -1.713 7.434 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -13.112 -3.253 6.562 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -11.663 -4.955 8.673 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.390 -5.088 6.919 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -10.019 -4.781 8.012 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.929 -4.618 7.047 1.00 0.39 N ATOM 1226 CA GLU A 80 -7.088 -5.745 6.657 1.00 0.42 C ATOM 1227 C GLU A 80 -7.917 -6.965 6.258 1.00 0.40 C ATOM 1228 O GLU A 80 -8.849 -7.366 6.957 1.00 0.51 O ATOM 1229 CB GLU A 80 -6.131 -6.113 7.800 1.00 0.57 C ATOM 1230 CG GLU A 80 -6.811 -6.285 9.152 1.00 0.97 C ATOM 1231 CD GLU A 80 -6.650 -7.678 9.725 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -5.535 -8.019 10.175 1.00 2.07 O ATOM 1233 OE2 GLU A 80 -7.640 -8.441 9.740 1.00 1.69 O ATOM 0 H GLU A 80 -8.212 -4.616 8.027 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.512 -5.436 5.785 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.616 -7.039 7.544 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -5.369 -5.338 7.885 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -6.399 -5.560 9.854 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -7.873 -6.061 9.049 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.584 -7.521 5.093 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.253 -8.703 4.571 1.00 0.39 C ATOM 1242 C ARG A 81 -7.219 -9.756 4.196 1.00 0.48 C ATOM 1243 O ARG A 81 -6.231 -9.453 3.534 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.102 -8.333 3.346 1.00 0.56 C ATOM 1245 CG ARG A 81 -9.784 -9.511 2.653 1.00 0.76 C ATOM 1246 CD ARG A 81 -10.915 -10.105 3.485 1.00 1.34 C ATOM 1247 NE ARG A 81 -10.444 -11.048 4.500 1.00 2.05 N ATOM 1248 CZ ARG A 81 -10.686 -10.916 5.805 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -11.355 -9.861 6.250 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -10.270 -11.841 6.662 1.00 3.75 N ATOM 0 H ARG A 81 -6.844 -7.162 4.489 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.910 -9.109 5.340 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -9.867 -7.620 3.655 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -8.466 -7.824 2.622 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -10.179 -9.183 1.691 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -9.044 -10.285 2.447 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.462 -9.298 3.973 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -11.617 -10.612 2.824 1.00 1.34 H new ATOM 0 HE ARG A 81 -9.899 -11.853 4.192 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -11.684 -9.152 5.595 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -11.541 -9.759 7.248 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -9.762 -12.658 6.324 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -10.458 -11.734 7.659 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.427 -10.979 4.636 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.548 -12.069 4.256 1.00 0.82 C ATOM 1266 C LEU A 82 -7.145 -12.869 3.107 1.00 0.66 C ATOM 1267 O LEU A 82 -8.301 -13.288 3.162 1.00 0.84 O ATOM 1268 CB LEU A 82 -6.270 -12.981 5.449 1.00 1.25 C ATOM 1269 CG LEU A 82 -5.462 -12.338 6.576 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -5.307 -13.307 7.735 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -4.098 -11.893 6.069 1.00 1.65 C ATOM 0 H LEU A 82 -8.193 -11.245 5.255 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.604 -11.639 3.922 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -7.222 -13.325 5.854 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -5.736 -13.863 5.097 1.00 1.25 H new ATOM 0 HG LEU A 82 -6.001 -11.459 6.929 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -4.729 -12.835 8.530 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -6.291 -13.580 8.115 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -4.789 -14.203 7.393 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -3.537 -11.438 6.885 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.551 -12.757 5.690 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.227 -11.166 5.268 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.355 -13.040 2.060 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.734 -13.863 0.922 1.00 0.82 C ATOM 1285 C GLU A 83 -6.220 -15.280 1.169 1.00 1.29 C ATOM 1286 O GLU A 83 -5.299 -15.478 1.966 1.00 2.03 O ATOM 1287 CB GLU A 83 -6.142 -13.268 -0.364 1.00 1.39 C ATOM 1288 CG GLU A 83 -7.061 -13.334 -1.578 1.00 1.89 C ATOM 1289 CD GLU A 83 -7.201 -14.729 -2.148 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -6.368 -15.119 -2.988 1.00 2.48 O ATOM 1291 OE2 GLU A 83 -8.145 -15.442 -1.759 1.00 2.36 O ATOM 0 H GLU A 83 -5.433 -12.613 1.974 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.817 -13.891 0.804 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -5.881 -12.226 -0.179 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -5.215 -13.792 -0.598 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -8.047 -12.962 -1.299 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -6.677 -12.670 -2.352 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.793 -16.258 0.485 1.00 1.26 N ATOM 1299 CA GLU A 84 -6.526 -17.658 0.798 1.00 1.78 C ATOM 1300 C GLU A 84 -5.366 -18.194 -0.029 1.00 1.46 C ATOM 1301 O GLU A 84 -4.824 -19.260 0.258 1.00 1.49 O ATOM 1302 CB GLU A 84 -7.783 -18.497 0.557 1.00 2.65 C ATOM 1303 CG GLU A 84 -8.212 -18.546 -0.900 1.00 3.44 C ATOM 1304 CD GLU A 84 -9.616 -19.080 -1.081 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -9.990 -20.041 -0.378 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -10.355 -18.537 -1.930 1.00 4.35 O ATOM 0 H GLU A 84 -7.443 -16.112 -0.287 1.00 1.26 H new ATOM 0 HA GLU A 84 -6.248 -17.726 1.850 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -7.604 -19.513 0.909 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -8.600 -18.092 1.154 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -8.152 -17.544 -1.325 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -7.516 -19.172 -1.458 1.00 3.44 H new ATOM 1313 N ASN A 85 -4.965 -17.442 -1.042 1.00 1.98 N ATOM 1314 CA ASN A 85 -3.793 -17.801 -1.828 1.00 2.36 C ATOM 1315 C ASN A 85 -2.570 -17.090 -1.273 1.00 1.83 C ATOM 1316 O ASN A 85 -1.629 -16.764 -1.998 1.00 2.36 O ATOM 1317 CB ASN A 85 -3.991 -17.459 -3.308 1.00 3.24 C ATOM 1318 CG ASN A 85 -5.134 -18.223 -3.949 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -4.947 -19.321 -4.470 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -6.319 -17.638 -3.940 1.00 4.33 N ATOM 0 H ASN A 85 -5.430 -16.584 -1.339 1.00 1.98 H new ATOM 0 HA ASN A 85 -3.644 -18.879 -1.758 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -4.177 -16.389 -3.406 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -3.070 -17.673 -3.850 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -7.118 -18.098 -4.376 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -6.434 -16.726 -3.497 1.00 4.33 H new ATOM 1327 N HIS A 86 -2.603 -16.891 0.038 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.559 -16.173 0.778 1.00 1.29 C ATOM 1329 C HIS A 86 -1.262 -14.797 0.188 1.00 1.07 C ATOM 1330 O HIS A 86 -0.109 -14.369 0.119 1.00 1.43 O ATOM 1331 CB HIS A 86 -0.276 -17.000 0.885 1.00 2.00 C ATOM 1332 CG HIS A 86 -0.348 -18.051 1.949 1.00 2.54 C ATOM 1333 ND1 HIS A 86 0.044 -17.831 3.250 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -0.790 -19.326 1.904 1.00 3.02 C ATOM 1335 CE1 HIS A 86 -0.153 -18.927 3.957 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -0.660 -19.851 3.164 1.00 3.81 N ATOM 0 H HIS A 86 -3.363 -17.226 0.630 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.952 -16.016 1.782 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -0.075 -17.475 -0.075 1.00 2.00 H new ATOM 0 HB3 HIS A 86 0.562 -16.335 1.094 1.00 2.00 H new ATOM 0 HD2 HIS A 86 -1.175 -19.838 1.035 1.00 3.02 H new ATOM 0 HE1 HIS A 86 0.064 -19.047 5.008 1.00 3.99 H new ATOM 0 HE2 HIS A 86 -0.913 -20.799 3.442 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.311 -14.106 -0.224 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.193 -12.721 -0.645 1.00 0.49 C ATOM 1347 C TYR A 87 -2.818 -11.830 0.417 1.00 0.46 C ATOM 1348 O TYR A 87 -3.697 -12.268 1.161 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.897 -12.480 -1.989 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.250 -13.163 -3.177 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -1.037 -12.716 -3.688 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.867 -14.239 -3.802 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -0.456 -13.326 -4.787 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -2.292 -14.856 -4.898 1.00 2.16 C ATOM 1355 CZ TYR A 87 -1.088 -14.396 -5.388 1.00 2.70 C ATOM 1356 OH TYR A 87 -0.517 -15.009 -6.484 1.00 3.60 O ATOM 0 H TYR A 87 -3.257 -14.483 -0.276 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.136 -12.487 -0.771 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.929 -12.822 -1.909 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -2.930 -11.407 -2.178 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -0.540 -11.879 -3.220 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.813 -14.600 -3.425 1.00 1.38 H new ATOM 0 HE1 TYR A 87 0.487 -12.966 -5.172 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -2.784 -15.695 -5.368 1.00 2.16 H new ATOM 0 HH TYR A 87 -1.091 -15.745 -6.783 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.365 -10.597 0.507 1.00 0.38 N ATOM 1367 CA ASN A 88 -2.974 -9.649 1.421 1.00 0.38 C ATOM 1368 C ASN A 88 -3.918 -8.763 0.640 1.00 0.34 C ATOM 1369 O ASN A 88 -3.696 -8.499 -0.540 1.00 0.36 O ATOM 1370 CB ASN A 88 -1.915 -8.796 2.116 1.00 0.43 C ATOM 1371 CG ASN A 88 -2.423 -8.149 3.392 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -3.313 -8.828 4.099 1.00 1.80 O flip ATOM 1373 ND2 ASN A 88 -2.002 -7.052 3.750 1.00 1.60 N flip ATOM 0 H ASN A 88 -1.584 -10.228 -0.036 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.518 -10.196 2.191 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.050 -9.417 2.349 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -1.574 -8.019 1.431 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -1.316 -6.558 3.179 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -2.338 -6.635 4.618 1.00 1.60 H new ATOM 1380 N THR A 89 -4.992 -8.357 1.274 1.00 0.36 N ATOM 1381 CA THR A 89 -5.947 -7.473 0.646 1.00 0.37 C ATOM 1382 C THR A 89 -6.176 -6.269 1.538 1.00 0.37 C ATOM 1383 O THR A 89 -6.073 -6.366 2.761 1.00 0.40 O ATOM 1384 CB THR A 89 -7.281 -8.187 0.379 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.030 -9.519 -0.091 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.102 -7.435 -0.660 1.00 0.49 C ATOM 0 H THR A 89 -5.228 -8.626 2.229 1.00 0.36 H new ATOM 0 HA THR A 89 -5.542 -7.154 -0.314 1.00 0.37 H new ATOM 0 HB THR A 89 -7.844 -8.221 1.312 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.882 -9.973 -0.259 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.041 -7.961 -0.831 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.310 -6.428 -0.300 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.543 -7.378 -1.594 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.481 -5.142 0.938 1.00 0.40 N ATOM 1395 CA TYR A 90 -6.729 -3.938 1.701 1.00 0.42 C ATOM 1396 C TYR A 90 -8.095 -3.374 1.385 1.00 0.38 C ATOM 1397 O TYR A 90 -8.455 -3.168 0.226 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.645 -2.886 1.461 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.306 -3.267 2.054 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.207 -3.671 3.379 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.148 -3.230 1.292 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -2.991 -4.030 3.925 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -1.927 -3.585 1.832 1.00 0.85 C ATOM 1404 CZ TYR A 90 -1.855 -3.987 3.148 1.00 0.75 C ATOM 1405 OH TYR A 90 -0.645 -4.355 3.688 1.00 0.87 O ATOM 0 H TYR A 90 -6.564 -5.032 -0.073 1.00 0.40 H new ATOM 0 HA TYR A 90 -6.701 -4.208 2.757 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.529 -2.730 0.388 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -5.968 -1.936 1.888 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.096 -3.705 3.992 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.202 -2.918 0.259 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -2.931 -4.343 4.957 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.034 -3.548 1.226 1.00 0.85 H new ATOM 0 HH TYR A 90 0.056 -4.269 3.009 1.00 0.87 H new ATOM 1415 N ILE A 91 -8.854 -3.142 2.432 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.150 -2.537 2.322 1.00 0.35 C ATOM 1417 C ILE A 91 -10.000 -1.087 2.682 1.00 0.36 C ATOM 1418 O ILE A 91 -9.116 -0.716 3.452 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.152 -3.182 3.292 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -10.797 -4.647 3.504 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.581 -3.026 2.785 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -11.789 -5.417 4.355 1.00 1.55 C ATOM 0 H ILE A 91 -8.582 -3.372 3.388 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.526 -2.670 1.308 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.091 -2.669 4.252 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -10.717 -5.133 2.532 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -9.814 -4.706 3.971 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -13.270 -3.491 3.490 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -12.820 -1.967 2.690 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.677 -3.508 1.812 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -11.458 -6.451 4.454 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -11.853 -4.960 5.343 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -12.770 -5.394 3.881 1.00 1.55 H new ATOM 1434 N SER A 92 -10.842 -0.271 2.145 1.00 0.36 N ATOM 1435 CA SER A 92 -10.762 1.128 2.397 1.00 0.40 C ATOM 1436 C SER A 92 -11.644 1.444 3.571 1.00 0.43 C ATOM 1437 O SER A 92 -12.846 1.583 3.424 1.00 0.53 O ATOM 1438 CB SER A 92 -11.203 1.891 1.162 1.00 0.47 C ATOM 1439 OG SER A 92 -12.436 1.407 0.674 1.00 1.33 O ATOM 0 H SER A 92 -11.600 -0.552 1.523 1.00 0.36 H new ATOM 0 HA SER A 92 -9.738 1.423 2.627 1.00 0.40 H new ATOM 0 HB2 SER A 92 -11.294 2.951 1.400 1.00 0.47 H new ATOM 0 HB3 SER A 92 -10.442 1.803 0.386 1.00 0.47 H new ATOM 0 HG SER A 92 -12.896 2.120 0.184 1.00 1.33 H new ATOM 1445 N LYS A 93 -11.062 1.544 4.757 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.892 1.786 5.917 1.00 0.54 C ATOM 1447 C LYS A 93 -12.427 3.216 5.881 1.00 0.57 C ATOM 1448 O LYS A 93 -13.312 3.570 6.652 1.00 0.72 O ATOM 1449 CB LYS A 93 -11.118 1.542 7.213 1.00 0.65 C ATOM 1450 CG LYS A 93 -12.015 1.083 8.347 1.00 0.84 C ATOM 1451 CD LYS A 93 -11.392 1.319 9.712 1.00 1.27 C ATOM 1452 CE LYS A 93 -12.356 0.929 10.820 1.00 1.20 C ATOM 1453 NZ LYS A 93 -11.814 1.229 12.170 1.00 1.58 N ATOM 0 H LYS A 93 -10.061 1.465 4.935 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.728 1.087 5.892 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -10.348 0.791 7.037 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -10.608 2.460 7.506 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -12.967 1.611 8.289 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -12.231 0.021 8.228 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -10.473 0.739 9.802 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -11.118 2.369 9.815 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -13.298 1.460 10.683 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -12.577 -0.136 10.748 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -12.599 1.423 12.824 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -11.270 0.413 12.515 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -11.193 2.062 12.118 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.962 3.988 4.898 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.516 5.304 4.630 1.00 0.67 C ATOM 1469 C LYS A 94 -13.972 5.145 4.228 1.00 0.79 C ATOM 1470 O LYS A 94 -14.874 5.425 5.017 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.719 6.056 3.540 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.270 5.194 2.374 1.00 1.21 C ATOM 1473 CD LYS A 94 -9.753 5.161 2.226 1.00 1.56 C ATOM 1474 CE LYS A 94 -9.067 4.411 3.363 1.00 2.00 C ATOM 1475 NZ LYS A 94 -8.801 5.268 4.552 1.00 2.32 N ATOM 0 H LYS A 94 -11.200 3.718 4.276 1.00 0.52 H new ATOM 0 HA LYS A 94 -12.445 5.908 5.535 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -12.334 6.870 3.157 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -10.840 6.509 3.999 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -11.641 4.178 2.512 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -11.714 5.573 1.453 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -9.495 4.690 1.278 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -9.373 6.182 2.189 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -9.690 3.568 3.662 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -8.125 3.999 3.002 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -8.013 4.867 5.100 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -8.552 6.228 4.239 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -9.652 5.308 5.148 1.00 2.32 H new ATOM 1489 N HIS A 95 -14.205 4.714 3.000 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.533 4.312 2.591 1.00 0.96 C ATOM 1491 C HIS A 95 -15.762 2.819 2.748 1.00 1.01 C ATOM 1492 O HIS A 95 -16.282 2.165 1.839 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.841 4.761 1.165 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.860 6.241 1.042 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -16.136 7.056 2.111 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -15.583 7.059 0.002 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -16.020 8.308 1.744 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -15.688 8.346 0.467 1.00 2.32 N ATOM 0 H HIS A 95 -13.493 4.635 2.274 1.00 0.76 H new ATOM 0 HA HIS A 95 -16.227 4.816 3.264 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -15.094 4.350 0.486 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.807 4.359 0.858 1.00 1.06 H new ATOM 0 HD1 HIS A 95 -16.392 6.737 3.045 1.00 1.55 H new ATOM 0 HD2 HIS A 95 -15.328 6.757 -1.003 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -16.171 9.167 2.381 1.00 2.27 H new ATOM 1507 N ALA A 96 -15.402 2.279 3.911 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.731 0.889 4.228 1.00 1.02 C ATOM 1509 C ALA A 96 -17.240 0.716 4.191 1.00 1.03 C ATOM 1510 O ALA A 96 -17.763 -0.358 3.895 1.00 1.05 O ATOM 1511 CB ALA A 96 -15.181 0.501 5.592 1.00 1.18 C ATOM 0 H ALA A 96 -14.889 2.774 4.641 1.00 0.94 H new ATOM 0 HA ALA A 96 -15.272 0.233 3.488 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -15.438 -0.536 5.806 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -14.097 0.614 5.593 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.614 1.147 6.356 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.911 1.827 4.459 1.00 1.07 N ATOM 1518 CA GLU A 97 -19.358 1.923 4.451 1.00 1.16 C ATOM 1519 C GLU A 97 -19.954 1.482 3.110 1.00 1.07 C ATOM 1520 O GLU A 97 -21.029 0.888 3.067 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.727 3.382 4.731 1.00 1.30 C ATOM 1522 CG GLU A 97 -19.154 4.341 3.693 1.00 2.04 C ATOM 1523 CD GLU A 97 -18.892 5.731 4.226 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -19.871 6.463 4.483 1.00 3.42 O ATOM 1525 OE2 GLU A 97 -17.715 6.082 4.432 1.00 3.22 O ATOM 0 H GLU A 97 -17.450 2.706 4.693 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.766 1.258 5.213 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -20.812 3.481 4.752 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -19.362 3.662 5.719 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -18.222 3.929 3.306 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -19.846 4.408 2.853 1.00 2.04 H new ATOM 1532 N LYS A 98 -19.250 1.771 2.018 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.753 1.446 0.688 1.00 0.88 C ATOM 1534 C LYS A 98 -19.184 0.112 0.206 1.00 0.83 C ATOM 1535 O LYS A 98 -19.529 -0.367 -0.878 1.00 0.83 O ATOM 1536 CB LYS A 98 -19.392 2.577 -0.289 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.952 2.392 -1.693 1.00 1.41 C ATOM 1538 CD LYS A 98 -19.630 3.577 -2.589 1.00 1.98 C ATOM 1539 CE LYS A 98 -20.378 4.832 -2.161 1.00 2.14 C ATOM 1540 NZ LYS A 98 -21.852 4.665 -2.264 1.00 2.65 N ATOM 0 H LYS A 98 -18.337 2.226 2.028 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.838 1.349 0.732 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -19.758 3.521 0.115 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -18.307 2.656 -0.350 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.541 1.482 -2.131 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -21.033 2.260 -1.639 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -18.557 3.768 -2.566 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -19.889 3.334 -3.620 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -20.112 5.080 -1.133 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -20.064 5.671 -2.782 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -22.309 5.599 -2.247 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -22.085 4.181 -3.155 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -22.194 4.098 -1.462 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.303 -0.474 1.021 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.726 -1.794 0.749 1.00 0.84 C ATOM 1556 C ASN A 99 -16.620 -1.700 -0.294 1.00 0.68 C ATOM 1557 O ASN A 99 -16.274 -2.694 -0.937 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.788 -2.821 0.327 1.00 1.01 C ATOM 1559 CG ASN A 99 -19.754 -3.156 1.448 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -20.787 -2.506 1.609 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -19.429 -4.178 2.223 1.00 2.00 N ATOM 0 H ASN A 99 -17.970 -0.048 1.886 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.293 -2.149 1.684 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.346 -2.432 -0.524 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.293 -3.733 -0.006 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -20.044 -4.454 2.988 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -18.563 -4.690 2.055 1.00 2.00 H new ATOM 1568 N TRP A 100 -16.080 -0.499 -0.474 1.00 0.54 N ATOM 1569 CA TRP A 100 -15.007 -0.278 -1.422 1.00 0.44 C ATOM 1570 C TRP A 100 -13.702 -0.874 -0.914 1.00 0.41 C ATOM 1571 O TRP A 100 -13.593 -1.278 0.247 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.832 1.218 -1.666 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.555 1.739 -2.873 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.591 1.165 -3.553 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.275 2.966 -3.537 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -16.964 1.971 -4.608 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.165 3.089 -4.615 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.350 3.971 -3.310 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.143 4.194 -5.471 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.324 5.063 -4.150 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.211 5.173 -5.216 1.00 1.01 C ATOM 0 H TRP A 100 -16.374 0.337 0.030 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.269 -0.771 -2.358 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -15.181 1.760 -0.787 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.769 1.434 -1.773 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -17.050 0.220 -3.302 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -17.710 1.770 -5.274 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.657 3.900 -2.485 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -16.831 4.276 -6.300 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.602 5.848 -3.978 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -15.167 6.043 -5.855 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.728 -0.943 -1.797 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.403 -1.421 -1.443 1.00 0.51 C ATOM 1594 C PHE A 101 -10.402 -0.299 -1.674 1.00 0.55 C ATOM 1595 O PHE A 101 -10.639 0.576 -2.499 1.00 0.67 O ATOM 1596 CB PHE A 101 -10.987 -2.630 -2.292 1.00 0.60 C ATOM 1597 CG PHE A 101 -11.914 -3.815 -2.241 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.116 -3.806 -2.932 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -11.598 -4.918 -1.469 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -13.984 -4.880 -2.849 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -12.456 -5.995 -1.389 1.00 0.79 C ATOM 1602 CZ PHE A 101 -13.596 -6.025 -2.219 1.00 0.77 C ATOM 0 H PHE A 101 -12.829 -0.672 -2.775 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.421 -1.728 -0.397 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -10.896 -2.308 -3.329 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -9.997 -2.953 -1.970 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -13.377 -2.953 -3.541 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -10.667 -4.936 -0.922 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -14.970 -4.811 -3.284 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -12.258 -6.803 -0.701 1.00 0.79 H new ATOM 0 HZ PHE A 101 -14.153 -6.941 -2.353 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.328 -0.264 -0.914 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.202 0.551 -1.322 1.00 0.55 C ATOM 1614 C VAL A 102 -7.287 -0.296 -2.177 1.00 0.50 C ATOM 1615 O VAL A 102 -6.744 -1.297 -1.714 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.415 1.147 -0.137 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -5.993 1.506 -0.551 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -8.122 2.382 0.376 1.00 1.27 C ATOM 0 H VAL A 102 -9.210 -0.772 -0.038 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.592 1.401 -1.881 1.00 0.55 H new ATOM 0 HB VAL A 102 -7.365 0.397 0.653 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -5.460 1.924 0.303 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -5.478 0.610 -0.897 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -6.023 2.241 -1.355 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -7.563 2.800 1.213 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -8.188 3.122 -0.422 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -9.126 2.116 0.707 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.141 0.090 -3.430 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.336 -0.684 -4.337 1.00 0.61 C ATOM 1630 C GLY A 103 -5.216 0.111 -4.937 1.00 0.54 C ATOM 1631 O GLY A 103 -5.337 1.299 -5.258 1.00 0.66 O ATOM 0 H GLY A 103 -7.566 0.925 -3.833 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.924 -1.543 -3.808 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.968 -1.074 -5.135 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.144 -0.561 -5.157 1.00 0.53 N ATOM 1636 CA LEU A 104 -2.945 0.086 -5.575 1.00 0.50 C ATOM 1637 C LEU A 104 -2.431 -0.555 -6.828 1.00 0.59 C ATOM 1638 O LEU A 104 -2.248 -1.769 -6.872 1.00 0.92 O ATOM 1639 CB LEU A 104 -1.914 -0.029 -4.461 1.00 0.77 C ATOM 1640 CG LEU A 104 -0.547 -0.500 -4.908 1.00 1.07 C ATOM 1641 CD1 LEU A 104 0.394 0.673 -5.136 1.00 1.62 C ATOM 1642 CD2 LEU A 104 0.004 -1.469 -3.898 1.00 1.27 C ATOM 0 H LEU A 104 -4.069 -1.573 -5.054 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.142 1.138 -5.783 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.809 0.944 -3.981 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.291 -0.718 -3.706 1.00 0.77 H new ATOM 0 HG LEU A 104 -0.643 -1.013 -5.865 1.00 1.07 H new ATOM 0 HD11 LEU A 104 1.367 0.302 -5.456 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -0.017 1.325 -5.907 1.00 1.62 H new ATOM 0 HD13 LEU A 104 0.507 1.234 -4.209 1.00 1.62 H new ATOM 0 HD21 LEU A 104 0.989 -1.809 -4.219 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.088 -0.976 -2.929 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -0.665 -2.325 -3.812 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.204 0.212 -7.868 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.463 -0.380 -8.955 1.00 0.54 C ATOM 1656 C LYS A 105 -0.009 -0.035 -8.787 1.00 0.49 C ATOM 1657 O LYS A 105 0.444 1.001 -9.206 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.999 0.110 -10.302 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.844 -0.895 -11.429 1.00 0.94 C ATOM 1660 CD LYS A 105 -2.638 -2.161 -11.149 1.00 1.55 C ATOM 1661 CE LYS A 105 -2.692 -3.084 -12.356 1.00 1.97 C ATOM 1662 NZ LYS A 105 -1.343 -3.512 -12.806 1.00 2.09 N ATOM 0 H LYS A 105 -2.498 1.182 -7.985 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.579 -1.464 -8.938 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -3.055 0.359 -10.193 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.481 1.030 -10.575 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -2.181 -0.450 -12.365 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -0.790 -1.144 -11.556 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -2.189 -2.691 -10.309 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -3.652 -1.894 -10.853 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -3.286 -3.964 -12.110 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -3.200 -2.576 -13.175 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -1.436 -4.289 -13.491 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -0.857 -2.710 -13.256 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -0.791 -3.837 -11.987 1.00 2.09 H new ATOM 1676 N LYS A 106 0.748 -0.966 -8.249 1.00 0.46 N ATOM 1677 CA LYS A 106 2.165 -0.732 -8.071 1.00 0.44 C ATOM 1678 C LYS A 106 2.869 -0.808 -9.405 1.00 0.44 C ATOM 1679 O LYS A 106 3.985 -0.353 -9.541 1.00 0.46 O ATOM 1680 CB LYS A 106 2.799 -1.688 -7.038 1.00 0.51 C ATOM 1681 CG LYS A 106 3.659 -2.818 -7.614 1.00 0.81 C ATOM 1682 CD LYS A 106 2.857 -3.816 -8.436 1.00 1.11 C ATOM 1683 CE LYS A 106 3.739 -4.911 -9.030 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.252 -5.857 -7.996 1.00 1.57 N ATOM 0 H LYS A 106 0.415 -1.876 -7.932 1.00 0.46 H new ATOM 0 HA LYS A 106 2.289 0.272 -7.664 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.414 -1.100 -6.357 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.000 -2.132 -6.444 1.00 0.51 H new ATOM 0 HG2 LYS A 106 4.443 -2.389 -8.238 1.00 0.81 H new ATOM 0 HG3 LYS A 106 4.154 -3.343 -6.797 1.00 0.81 H new ATOM 0 HD2 LYS A 106 2.091 -4.270 -7.808 1.00 1.11 H new ATOM 0 HD3 LYS A 106 2.341 -3.291 -9.240 1.00 1.11 H new ATOM 0 HE2 LYS A 106 3.170 -5.467 -9.775 1.00 1.02 H new ATOM 0 HE3 LYS A 106 4.581 -4.453 -9.548 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 5.292 -5.838 -7.993 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 3.898 -5.574 -7.060 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.924 -6.820 -8.213 1.00 1.57 H new ATOM 1698 N ASN A 107 2.244 -1.423 -10.397 1.00 0.50 N ATOM 1699 CA ASN A 107 2.891 -1.466 -11.693 1.00 0.56 C ATOM 1700 C ASN A 107 2.770 -0.085 -12.331 1.00 0.60 C ATOM 1701 O ASN A 107 3.441 0.239 -13.307 1.00 0.70 O ATOM 1702 CB ASN A 107 2.225 -2.527 -12.582 1.00 0.67 C ATOM 1703 CG ASN A 107 3.109 -3.001 -13.728 1.00 1.47 C ATOM 1704 OD1 ASN A 107 4.004 -2.297 -14.178 1.00 2.40 O ATOM 1705 ND2 ASN A 107 2.850 -4.204 -14.219 1.00 1.84 N ATOM 0 H ASN A 107 1.333 -1.878 -10.336 1.00 0.50 H new ATOM 0 HA ASN A 107 3.942 -1.733 -11.581 1.00 0.56 H new ATOM 0 HB2 ASN A 107 1.950 -3.384 -11.967 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.301 -2.119 -12.991 1.00 0.67 H new ATOM 0 HD21 ASN A 107 3.403 -4.568 -14.994 1.00 1.84 H new ATOM 0 HD22 ASN A 107 2.097 -4.766 -13.822 1.00 1.84 H new ATOM 1712 N GLY A 108 1.915 0.734 -11.727 1.00 0.56 N ATOM 1713 CA GLY A 108 1.783 2.118 -12.115 1.00 0.65 C ATOM 1714 C GLY A 108 2.000 3.032 -10.939 1.00 0.60 C ATOM 1715 O GLY A 108 3.111 3.411 -10.590 1.00 0.71 O ATOM 0 H GLY A 108 1.302 0.452 -10.962 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.505 2.350 -12.898 1.00 0.65 H new ATOM 0 HA3 GLY A 108 0.792 2.289 -12.534 1.00 0.65 H new ATOM 1719 N SER A 109 0.876 3.237 -10.277 1.00 0.53 N ATOM 1720 CA SER A 109 0.697 4.123 -9.138 1.00 0.64 C ATOM 1721 C SER A 109 -0.598 3.675 -8.467 1.00 0.54 C ATOM 1722 O SER A 109 -1.402 2.994 -9.112 1.00 0.54 O ATOM 1723 CB SER A 109 0.593 5.579 -9.604 1.00 0.93 C ATOM 1724 OG SER A 109 -0.471 5.742 -10.528 1.00 1.50 O ATOM 0 H SER A 109 0.011 2.762 -10.535 1.00 0.53 H new ATOM 0 HA SER A 109 1.541 4.073 -8.450 1.00 0.64 H new ATOM 0 HB2 SER A 109 0.435 6.230 -8.744 1.00 0.93 H new ATOM 0 HB3 SER A 109 1.531 5.884 -10.067 1.00 0.93 H new ATOM 0 HG SER A 109 -0.519 6.679 -10.810 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.852 4.031 -7.219 1.00 0.76 N ATOM 1731 CA CYS A 110 -2.013 3.460 -6.557 1.00 0.82 C ATOM 1732 C CYS A 110 -3.226 4.342 -6.781 1.00 0.66 C ATOM 1733 O CYS A 110 -3.363 5.371 -6.193 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.703 3.364 -5.060 1.00 1.35 C ATOM 1735 SG CYS A 110 -3.088 2.875 -4.007 1.00 2.32 S ATOM 0 H CYS A 110 -0.298 4.683 -6.664 1.00 0.76 H new ATOM 0 HA CYS A 110 -2.231 2.472 -6.962 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.893 2.648 -4.920 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -1.335 4.332 -4.720 1.00 1.35 H new ATOM 0 HG CYS A 110 -4.031 2.362 -4.740 1.00 2.32 H new ATOM 1741 N LYS A 111 -4.095 3.934 -7.673 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.364 4.600 -7.869 1.00 1.00 C ATOM 1743 C LYS A 111 -6.446 3.566 -7.910 1.00 0.75 C ATOM 1744 O LYS A 111 -6.529 2.907 -8.929 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.366 5.376 -9.191 1.00 2.13 C ATOM 1746 CG LYS A 111 -4.173 5.108 -10.127 1.00 2.53 C ATOM 1747 CD LYS A 111 -4.059 3.648 -10.590 1.00 2.18 C ATOM 1748 CE LYS A 111 -3.395 3.541 -11.958 1.00 3.01 C ATOM 1749 NZ LYS A 111 -2.212 4.437 -12.085 1.00 3.59 N ATOM 0 H LYS A 111 -3.945 3.132 -8.284 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.530 5.300 -7.050 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.285 5.140 -9.728 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -5.394 6.442 -8.965 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -4.260 5.751 -11.003 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -3.252 5.389 -9.615 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -3.483 3.079 -9.860 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -5.052 3.201 -10.631 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -3.087 2.510 -12.130 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -4.121 3.790 -12.732 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -1.488 3.976 -12.672 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -2.500 5.332 -12.530 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -1.820 4.630 -11.141 1.00 3.59 H new ATOM 1763 N ARG A 112 -7.283 3.378 -6.912 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.385 2.449 -7.137 1.00 1.36 C ATOM 1765 C ARG A 112 -9.693 2.846 -6.459 1.00 1.14 C ATOM 1766 O ARG A 112 -9.965 2.390 -5.362 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.996 1.032 -6.730 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.941 0.389 -7.617 1.00 3.07 C ATOM 1769 CD ARG A 112 -7.508 -0.121 -8.942 1.00 4.09 C ATOM 1770 NE ARG A 112 -7.899 0.959 -9.852 1.00 4.81 N ATOM 1771 CZ ARG A 112 -7.491 1.062 -11.120 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -6.706 0.137 -11.654 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -7.865 2.100 -11.856 1.00 6.59 N ATOM 0 H ARG A 112 -7.237 3.819 -5.993 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.575 2.489 -8.210 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.628 1.050 -5.704 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.889 0.407 -6.738 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -6.153 1.114 -7.820 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -6.480 -0.441 -7.081 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -6.764 -0.749 -9.431 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -8.375 -0.751 -8.741 1.00 4.09 H new ATOM 0 HE ARG A 112 -8.525 1.680 -9.493 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -6.408 -0.663 -11.096 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -6.400 0.225 -12.623 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -8.465 2.821 -11.454 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -7.553 2.178 -12.824 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.537 3.601 -7.123 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.896 3.744 -6.645 1.00 0.76 C ATOM 1789 C GLY A 113 -12.866 2.944 -7.479 1.00 0.77 C ATOM 1790 O GLY A 113 -13.358 1.907 -7.050 1.00 0.80 O ATOM 0 H GLY A 113 -10.317 4.115 -7.976 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.953 3.418 -5.607 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -12.180 4.796 -6.665 1.00 0.76 H new ATOM 1794 N PRO A 114 -13.135 3.385 -8.712 1.00 0.90 N ATOM 1795 CA PRO A 114 -14.056 2.688 -9.609 1.00 1.07 C ATOM 1796 C PRO A 114 -13.597 1.276 -9.986 1.00 0.90 C ATOM 1797 O PRO A 114 -14.333 0.547 -10.648 1.00 1.05 O ATOM 1798 CB PRO A 114 -14.096 3.582 -10.855 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.866 4.417 -10.779 1.00 1.38 C ATOM 1800 CD PRO A 114 -12.593 4.612 -9.319 1.00 1.03 C ATOM 0 HA PRO A 114 -15.025 2.540 -9.132 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -14.110 2.985 -11.767 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.992 4.202 -10.866 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -12.028 3.924 -11.271 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -13.012 5.374 -11.281 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -11.527 4.724 -9.119 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -13.085 5.504 -8.932 1.00 1.03 H new ATOM 1808 N ARG A 115 -12.387 0.875 -9.580 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.901 -0.444 -9.936 1.00 0.74 C ATOM 1810 C ARG A 115 -11.691 -1.329 -8.709 1.00 0.69 C ATOM 1811 O ARG A 115 -11.450 -2.527 -8.859 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.600 -0.362 -10.741 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.779 -0.155 -12.243 1.00 1.39 C ATOM 1814 CD ARG A 115 -11.373 1.205 -12.583 1.00 1.63 C ATOM 1815 NE ARG A 115 -11.210 1.527 -14.003 1.00 1.81 N ATOM 1816 CZ ARG A 115 -11.991 2.371 -14.681 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -13.064 2.908 -14.112 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -11.706 2.660 -15.944 1.00 2.62 N ATOM 0 H ARG A 115 -11.747 1.436 -9.018 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.673 -0.899 -10.556 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.998 0.457 -10.346 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -10.034 -1.280 -10.581 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -9.813 -0.259 -12.737 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -11.425 -0.938 -12.639 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -12.432 1.214 -12.327 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -10.892 1.974 -11.978 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.448 1.075 -14.508 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -13.299 2.677 -13.147 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -13.653 3.552 -14.640 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -10.893 2.238 -16.393 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -12.300 3.304 -16.466 1.00 2.62 H new ATOM 1832 N THR A 116 -11.756 -0.764 -7.500 1.00 0.61 N ATOM 1833 CA THR A 116 -11.610 -1.586 -6.311 1.00 0.75 C ATOM 1834 C THR A 116 -12.785 -2.526 -6.081 1.00 0.85 C ATOM 1835 O THR A 116 -13.914 -2.125 -5.796 1.00 1.23 O ATOM 1836 CB THR A 116 -11.326 -0.757 -5.075 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.911 0.538 -5.207 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.828 -0.660 -4.892 1.00 1.13 C ATOM 0 H THR A 116 -11.904 0.230 -7.327 1.00 0.61 H new ATOM 0 HA THR A 116 -10.740 -2.215 -6.500 1.00 0.75 H new ATOM 0 HB THR A 116 -11.765 -1.231 -4.197 1.00 0.93 H new ATOM 0 HG1 THR A 116 -11.231 1.223 -5.039 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.608 -0.066 -4.005 1.00 1.13 H new ATOM 0 HG22 THR A 116 -9.411 -1.660 -4.772 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.385 -0.185 -5.767 1.00 1.13 H new ATOM 1846 N HIS A 117 -12.433 -3.788 -6.224 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.299 -4.952 -6.282 1.00 0.77 C ATOM 1848 C HIS A 117 -12.494 -5.844 -7.181 1.00 0.68 C ATOM 1849 O HIS A 117 -11.379 -5.430 -7.542 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.721 -4.684 -6.838 1.00 0.89 C ATOM 1851 CG HIS A 117 -14.796 -4.070 -8.209 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -15.010 -2.724 -8.416 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -14.733 -4.630 -9.439 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -15.076 -2.484 -9.711 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -14.908 -3.623 -10.354 1.00 2.85 N ATOM 0 H HIS A 117 -11.451 -4.049 -6.310 1.00 0.70 H new ATOM 0 HA HIS A 117 -13.530 -5.360 -5.298 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -15.265 -5.628 -6.856 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -15.243 -4.029 -6.141 1.00 0.89 H new ATOM 0 HD1 HIS A 117 -15.103 -2.022 -7.681 1.00 1.92 H new ATOM 0 HD2 HIS A 117 -14.574 -5.675 -9.659 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -15.240 -1.519 -10.167 1.00 2.75 H new ATOM 1864 N TYR A 118 -12.921 -7.017 -7.580 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.035 -7.683 -8.499 1.00 0.69 C ATOM 1866 C TYR A 118 -12.354 -7.134 -9.876 1.00 0.68 C ATOM 1867 O TYR A 118 -13.099 -7.701 -10.675 1.00 0.77 O ATOM 1868 CB TYR A 118 -12.198 -9.206 -8.445 1.00 0.78 C ATOM 1869 CG TYR A 118 -10.985 -9.949 -8.960 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -9.778 -9.916 -8.277 1.00 2.33 C ATOM 1871 CD2 TYR A 118 -11.056 -10.696 -10.132 1.00 1.90 C ATOM 1872 CE1 TYR A 118 -8.676 -10.606 -8.746 1.00 3.13 C ATOM 1873 CE2 TYR A 118 -9.958 -11.387 -10.607 1.00 2.72 C ATOM 1874 CZ TYR A 118 -8.740 -11.293 -9.904 1.00 3.19 C ATOM 1875 OH TYR A 118 -7.674 -12.031 -10.375 1.00 4.11 O ATOM 0 H TYR A 118 -13.785 -7.492 -7.317 1.00 0.73 H new ATOM 0 HA TYR A 118 -10.994 -7.494 -8.237 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -12.393 -9.509 -7.416 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -13.070 -9.494 -9.033 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -9.698 -9.343 -7.365 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -11.986 -10.736 -10.680 1.00 1.90 H new ATOM 0 HE1 TYR A 118 -7.756 -10.595 -8.180 1.00 3.13 H new ATOM 0 HE2 TYR A 118 -10.032 -11.988 -11.501 1.00 2.72 H new ATOM 0 HH TYR A 118 -7.919 -12.454 -11.225 1.00 4.11 H new ATOM 1885 N GLY A 119 -11.757 -5.966 -10.087 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.731 -5.283 -11.351 1.00 0.65 C ATOM 1887 C GLY A 119 -10.337 -5.306 -11.900 1.00 0.65 C ATOM 1888 O GLY A 119 -10.105 -5.361 -13.105 1.00 0.73 O ATOM 0 H GLY A 119 -11.264 -5.461 -9.350 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.417 -5.762 -12.050 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -12.068 -4.254 -11.228 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.406 -5.251 -10.960 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.003 -5.066 -11.252 1.00 0.64 C ATOM 1894 C GLN A 120 -7.183 -5.974 -10.348 1.00 0.62 C ATOM 1895 O GLN A 120 -7.601 -6.279 -9.234 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.629 -3.605 -10.973 1.00 0.67 C ATOM 1897 CG GLN A 120 -6.344 -3.149 -11.645 1.00 1.05 C ATOM 1898 CD GLN A 120 -6.434 -3.123 -13.161 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -5.437 -3.323 -13.850 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -7.619 -2.865 -13.689 1.00 2.13 N ATOM 0 H GLN A 120 -9.611 -5.335 -9.964 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.802 -5.309 -12.295 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.446 -2.964 -11.304 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -7.531 -3.466 -9.896 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -6.089 -2.152 -11.286 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -5.532 -3.812 -11.348 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -8.423 -2.704 -13.083 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -7.728 -2.827 -14.702 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.016 -6.386 -10.815 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.099 -7.161 -9.990 1.00 0.78 C ATOM 1911 C LYS A 121 -4.312 -6.238 -9.067 1.00 0.70 C ATOM 1912 O LYS A 121 -3.287 -6.617 -8.504 1.00 0.75 O ATOM 1913 CB LYS A 121 -4.144 -7.986 -10.853 1.00 1.06 C ATOM 1914 CG LYS A 121 -4.812 -9.136 -11.585 1.00 1.43 C ATOM 1915 CD LYS A 121 -3.794 -9.950 -12.366 1.00 1.94 C ATOM 1916 CE LYS A 121 -4.438 -11.129 -13.075 1.00 2.28 C ATOM 1917 NZ LYS A 121 -3.439 -11.911 -13.847 1.00 2.85 N ATOM 0 H LYS A 121 -5.680 -6.198 -11.760 1.00 0.75 H new ATOM 0 HA LYS A 121 -5.688 -7.850 -9.385 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -3.671 -7.329 -11.583 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -3.350 -8.383 -10.221 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -5.324 -9.779 -10.869 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -5.571 -8.747 -12.265 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -3.302 -9.310 -13.098 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -3.021 -10.312 -11.688 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -4.921 -11.776 -12.343 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -5.218 -10.770 -13.746 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -3.912 -12.708 -14.319 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -2.996 -11.299 -14.562 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -2.709 -12.274 -13.202 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.809 -5.019 -8.927 1.00 0.67 N ATOM 1932 CA ALA A 122 -4.270 -4.066 -7.971 1.00 0.72 C ATOM 1933 C ALA A 122 -4.733 -4.438 -6.572 1.00 0.54 C ATOM 1934 O ALA A 122 -4.311 -3.854 -5.576 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.737 -2.665 -8.325 1.00 0.92 C ATOM 0 H ALA A 122 -5.595 -4.664 -9.471 1.00 0.67 H new ATOM 0 HA ALA A 122 -3.181 -4.091 -8.004 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -4.331 -1.954 -7.606 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -4.390 -2.408 -9.326 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.826 -2.627 -8.298 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.638 -5.404 -6.531 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.221 -5.878 -5.292 1.00 0.44 C ATOM 1943 C ILE A 123 -5.412 -7.055 -4.725 1.00 0.40 C ATOM 1944 O ILE A 123 -5.729 -7.591 -3.663 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.695 -6.298 -5.532 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.431 -5.216 -6.332 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.428 -6.551 -4.217 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -8.481 -3.867 -5.643 1.00 1.37 C ATOM 0 H ILE A 123 -5.988 -5.881 -7.362 1.00 0.44 H new ATOM 0 HA ILE A 123 -6.197 -5.069 -4.562 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.684 -7.228 -6.100 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.944 -5.100 -7.300 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -9.450 -5.552 -6.526 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.457 -6.843 -4.425 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.928 -7.350 -3.669 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -8.423 -5.641 -3.617 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -9.018 -3.157 -6.272 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -8.995 -3.966 -4.687 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -7.466 -3.507 -5.474 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.345 -7.444 -5.426 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.467 -8.499 -4.923 1.00 0.43 C ATOM 1962 C LEU A 124 -2.218 -7.870 -4.330 1.00 0.37 C ATOM 1963 O LEU A 124 -1.295 -7.493 -5.059 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.059 -9.505 -6.012 1.00 0.63 C ATOM 1965 CG LEU A 124 -3.769 -9.397 -7.364 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -3.067 -10.279 -8.385 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -5.237 -9.789 -7.252 1.00 1.83 C ATOM 0 H LEU A 124 -4.072 -7.052 -6.327 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.024 -9.050 -4.166 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -1.988 -9.401 -6.184 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -3.224 -10.510 -5.623 1.00 0.63 H new ATOM 0 HG LEU A 124 -3.725 -8.358 -7.691 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -3.576 -10.199 -9.346 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -2.032 -9.956 -8.494 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -3.090 -11.315 -8.048 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -5.713 -9.702 -8.229 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -5.313 -10.819 -6.902 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -5.737 -9.128 -6.545 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.189 -7.763 -3.011 1.00 0.37 N ATOM 1980 CA PHE A 125 -1.135 -7.046 -2.327 1.00 0.45 C ATOM 1981 C PHE A 125 -0.067 -7.993 -1.796 1.00 0.36 C ATOM 1982 O PHE A 125 -0.390 -8.979 -1.129 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.737 -6.238 -1.169 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.808 -5.263 -1.588 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -4.136 -5.653 -1.663 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -2.485 -3.956 -1.911 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -5.117 -4.760 -2.049 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -3.461 -3.060 -2.298 1.00 1.05 C ATOM 1989 CZ PHE A 125 -4.790 -3.470 -2.353 1.00 0.85 C ATOM 0 H PHE A 125 -2.891 -8.169 -2.392 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.659 -6.375 -3.042 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.156 -6.929 -0.438 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.938 -5.690 -0.669 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -4.408 -6.669 -1.416 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -1.456 -3.633 -1.859 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -6.146 -5.083 -2.110 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -3.195 -2.046 -2.557 1.00 1.05 H new ATOM 0 HZ PHE A 125 -5.561 -2.769 -2.636 1.00 0.85 H new ATOM 1999 N LEU A 126 1.208 -7.712 -2.093 1.00 0.36 N ATOM 2000 CA LEU A 126 2.281 -8.487 -1.499 1.00 0.49 C ATOM 2001 C LEU A 126 3.302 -7.540 -0.877 1.00 0.48 C ATOM 2002 O LEU A 126 3.930 -6.737 -1.569 1.00 0.49 O ATOM 2003 CB LEU A 126 2.940 -9.384 -2.553 1.00 0.68 C ATOM 2004 CG LEU A 126 3.267 -10.814 -2.098 1.00 1.22 C ATOM 2005 CD1 LEU A 126 4.209 -10.812 -0.903 1.00 1.98 C ATOM 2006 CD2 LEU A 126 1.991 -11.573 -1.765 1.00 1.96 C ATOM 0 H LEU A 126 1.508 -6.971 -2.726 1.00 0.36 H new ATOM 0 HA LEU A 126 1.874 -9.131 -0.720 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.281 -9.440 -3.420 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.863 -8.907 -2.884 1.00 0.68 H new ATOM 0 HG LEU A 126 3.771 -11.319 -2.922 1.00 1.22 H new ATOM 0 HD11 LEU A 126 4.421 -11.839 -0.605 1.00 1.98 H new ATOM 0 HD12 LEU A 126 5.140 -10.313 -1.174 1.00 1.98 H new ATOM 0 HD13 LEU A 126 3.742 -10.282 -0.073 1.00 1.98 H new ATOM 0 HD21 LEU A 126 2.242 -12.584 -1.445 1.00 1.96 H new ATOM 0 HD22 LEU A 126 1.461 -11.059 -0.963 1.00 1.96 H new ATOM 0 HD23 LEU A 126 1.355 -11.620 -2.649 1.00 1.96 H new ATOM 2018 N PRO A 127 3.457 -7.611 0.448 1.00 0.54 N ATOM 2019 CA PRO A 127 4.393 -6.794 1.191 1.00 0.55 C ATOM 2020 C PRO A 127 5.607 -7.584 1.686 1.00 0.53 C ATOM 2021 O PRO A 127 5.502 -8.403 2.604 1.00 0.66 O ATOM 2022 CB PRO A 127 3.524 -6.365 2.376 1.00 0.72 C ATOM 2023 CG PRO A 127 2.515 -7.474 2.559 1.00 0.81 C ATOM 2024 CD PRO A 127 2.650 -8.405 1.370 1.00 0.68 C ATOM 0 HA PRO A 127 4.819 -5.984 0.599 1.00 0.55 H new ATOM 0 HB2 PRO A 127 4.125 -6.229 3.275 1.00 0.72 H new ATOM 0 HB3 PRO A 127 3.030 -5.414 2.176 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.698 -8.010 3.490 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.505 -7.069 2.618 1.00 0.81 H new ATOM 0 HD2 PRO A 127 3.141 -9.340 1.639 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.681 -8.664 0.944 1.00 0.68 H new ATOM 2032 N LEU A 128 6.761 -7.333 1.087 1.00 0.44 N ATOM 2033 CA LEU A 128 7.988 -8.001 1.512 1.00 0.46 C ATOM 2034 C LEU A 128 8.915 -7.018 2.204 1.00 0.39 C ATOM 2035 O LEU A 128 9.339 -6.042 1.607 1.00 0.39 O ATOM 2036 CB LEU A 128 8.717 -8.649 0.331 1.00 0.56 C ATOM 2037 CG LEU A 128 8.064 -9.908 -0.237 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.990 -10.567 -1.247 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.712 -10.879 0.881 1.00 1.47 C ATOM 0 H LEU A 128 6.877 -6.679 0.313 1.00 0.44 H new ATOM 0 HA LEU A 128 7.704 -8.787 2.211 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.802 -7.913 -0.469 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.731 -8.897 0.645 1.00 0.56 H new ATOM 0 HG LEU A 128 7.141 -9.625 -0.744 1.00 0.98 H new ATOM 0 HD11 LEU A 128 8.515 -11.463 -1.646 1.00 1.34 H new ATOM 0 HD12 LEU A 128 9.194 -9.872 -2.061 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.926 -10.839 -0.759 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.248 -11.769 0.457 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.619 -11.162 1.416 1.00 1.47 H new ATOM 0 HD23 LEU A 128 7.017 -10.402 1.572 1.00 1.47 H new ATOM 2051 N PRO A 129 9.267 -7.274 3.464 1.00 0.41 N ATOM 2052 CA PRO A 129 10.106 -6.366 4.240 1.00 0.40 C ATOM 2053 C PRO A 129 11.586 -6.584 3.947 1.00 0.48 C ATOM 2054 O PRO A 129 11.942 -7.539 3.251 1.00 0.55 O ATOM 2055 CB PRO A 129 9.762 -6.753 5.674 1.00 0.48 C ATOM 2056 CG PRO A 129 9.468 -8.214 5.605 1.00 0.68 C ATOM 2057 CD PRO A 129 8.872 -8.465 4.242 1.00 0.53 C ATOM 0 HA PRO A 129 9.930 -5.314 4.016 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.591 -6.546 6.351 1.00 0.48 H new ATOM 0 HB3 PRO A 129 8.903 -6.192 6.042 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.376 -8.800 5.745 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.774 -8.508 6.392 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.261 -9.381 3.797 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.788 -8.570 4.292 1.00 0.53 H new ATOM 2065 N VAL A 130 12.443 -5.685 4.434 1.00 0.56 N ATOM 2066 CA VAL A 130 13.868 -5.778 4.141 1.00 0.76 C ATOM 2067 C VAL A 130 14.404 -7.132 4.590 1.00 0.97 C ATOM 2068 O VAL A 130 14.047 -7.642 5.651 1.00 1.03 O ATOM 2069 CB VAL A 130 14.678 -4.659 4.817 1.00 0.93 C ATOM 2070 CG1 VAL A 130 16.053 -4.525 4.179 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.928 -3.336 4.769 1.00 1.36 C ATOM 0 H VAL A 130 12.178 -4.897 5.024 1.00 0.56 H new ATOM 0 HA VAL A 130 13.982 -5.666 3.063 1.00 0.76 H new ATOM 0 HB VAL A 130 14.814 -4.929 5.864 1.00 0.93 H new ATOM 0 HG11 VAL A 130 16.607 -3.727 4.674 1.00 1.43 H new ATOM 0 HG12 VAL A 130 16.596 -5.464 4.285 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.942 -4.287 3.121 1.00 1.43 H new ATOM 0 HG21 VAL A 130 14.523 -2.562 5.254 1.00 1.36 H new ATOM 0 HG22 VAL A 130 13.748 -3.058 3.731 1.00 1.36 H new ATOM 0 HG23 VAL A 130 12.975 -3.439 5.288 1.00 1.36 H new ATOM 2081 N SER A 131 15.272 -7.695 3.778 1.00 1.27 N ATOM 2082 CA SER A 131 15.691 -9.073 3.946 1.00 1.65 C ATOM 2083 C SER A 131 16.744 -9.187 5.034 1.00 1.86 C ATOM 2084 O SER A 131 17.727 -8.446 5.038 1.00 1.88 O ATOM 2085 CB SER A 131 16.237 -9.620 2.625 1.00 2.07 C ATOM 2086 OG SER A 131 16.455 -11.017 2.696 1.00 2.32 O ATOM 0 H SER A 131 15.705 -7.217 2.988 1.00 1.27 H new ATOM 0 HA SER A 131 14.824 -9.663 4.245 1.00 1.65 H new ATOM 0 HB2 SER A 131 15.535 -9.400 1.820 1.00 2.07 H new ATOM 0 HB3 SER A 131 17.172 -9.116 2.379 1.00 2.07 H new ATOM 0 HG SER A 131 16.802 -11.338 1.838 1.00 2.32 H new ATOM 2092 N SER A 132 16.530 -10.109 5.959 1.00 2.21 N ATOM 2093 CA SER A 132 17.500 -10.381 6.999 1.00 2.54 C ATOM 2094 C SER A 132 18.426 -11.490 6.533 1.00 3.02 C ATOM 2095 O SER A 132 18.244 -12.667 6.851 1.00 3.59 O ATOM 2096 CB SER A 132 16.786 -10.767 8.293 1.00 2.98 C ATOM 2097 OG SER A 132 15.879 -9.749 8.685 1.00 2.97 O ATOM 0 H SER A 132 15.688 -10.682 6.008 1.00 2.21 H new ATOM 0 HA SER A 132 18.092 -9.488 7.199 1.00 2.54 H new ATOM 0 HB2 SER A 132 16.250 -11.705 8.153 1.00 2.98 H new ATOM 0 HB3 SER A 132 17.518 -10.933 9.083 1.00 2.98 H new ATOM 0 HG SER A 132 15.796 -9.743 9.661 1.00 2.97 H new ATOM 2103 N ASP A 133 19.410 -11.087 5.750 1.00 3.06 N ATOM 2104 CA ASP A 133 20.322 -12.010 5.110 1.00 3.74 C ATOM 2105 C ASP A 133 21.753 -11.591 5.401 1.00 3.96 C ATOM 2106 O ASP A 133 22.359 -12.146 6.334 1.00 4.33 O ATOM 2107 CB ASP A 133 20.064 -12.013 3.600 1.00 3.99 C ATOM 2108 CG ASP A 133 20.854 -13.070 2.862 1.00 4.66 C ATOM 2109 OD1 ASP A 133 22.015 -12.804 2.481 1.00 5.00 O ATOM 2110 OD2 ASP A 133 20.304 -14.162 2.630 1.00 5.12 O ATOM 2111 OXT ASP A 133 22.246 -10.663 4.724 1.00 4.10 O ATOM 0 H ASP A 133 19.598 -10.106 5.541 1.00 3.06 H new ATOM 0 HA ASP A 133 20.164 -13.016 5.498 1.00 3.74 H new ATOM 0 HB2 ASP A 133 19.001 -12.172 3.420 1.00 3.99 H new ATOM 0 HB3 ASP A 133 20.313 -11.033 3.194 1.00 3.99 H new TER 2116 ASP A 133