USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1013 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 10 SER OG : rot -101:sc= 1.41 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 73 ASN : amide:sc= -0.0133 K(o=-0.013,f=-1.8) USER MOD Set 3.1: A 36 GLN : amide:sc= -2.81! C(o=-1.5!,f=-1.8!) USER MOD Set 3.2: A 54 THR OG1 : rot -150:sc= 1.26 USER MOD Set 4.1: A 11 ASN : amide:sc= -2.12! C(o=-7.7!,f=-6.6!) USER MOD Set 4.2: A 107 ASN : amide:sc= -5.6! C(o=-7.7!,f=-5.7!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.103) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -149:sc= 0.465 USER MOD Single : A 14 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 83:sc= 0.059 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.54 K(o=-0.54,f=0) USER MOD Single : A 34 HIS : no HE2:sc= 0.678 K(o=0.68,f=-6.3!) USER MOD Single : A 38 GLN : amide:sc= -0.014 K(o=-0.014,f=-1) USER MOD Single : A 40 SER OG : rot 155:sc= 1.21 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 14:sc= -1.57! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 142:sc= 0.396 USER MOD Single : A 52 THR OG1 : rot -71:sc= -1.54! USER MOD Single : A 56 GLN : amide:sc= -8.28! C(o=-8.3!,f=-16!) USER MOD Single : A 60 MET CE :methyl 158:sc= -4.42 (180deg=-5.1!) USER MOD Single : A 62 THR OG1 : rot 68:sc= 0.326 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 96:sc= -0.588 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 76 CYS SG : rot -37:sc= 0.78 USER MOD Single : A 85 ASN : amide:sc= -0.29 K(o=-0.29,f=-1.1) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.699 K(o=0.7,f=-2.7!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 110:sc= -1.55! USER MOD Single : A 93 LYS NZ :NH3+ 145:sc= 0.39 (180deg=0.0424) USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.168) USER MOD Single : A 95 HIS : no HE2:sc= -0.318 K(o=-0.32,f=-6.2!) USER MOD Single : A 98 LYS NZ :NH3+ -145:sc= 1.23 (180deg=0.973) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 105 LYS NZ :NH3+ 167:sc=-0.00623 (180deg=-0.12) USER MOD Single : A 106 LYS NZ :NH3+ -172:sc= 2.72 (180deg=2.34) USER MOD Single : A 109 SER OG : rot 100:sc= -3.16! USER MOD Single : A 110 CYS SG : rot -84:sc= 0.574 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 119:sc= -4.8! USER MOD Single : A 117 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.1) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.057 USER MOD Single : A 120 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.069) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 3 12.241 -4.101 8.906 1.00 0.93 N ATOM 47 CA LYS A 3 12.299 -2.702 8.517 1.00 0.96 C ATOM 48 C LYS A 3 11.001 -2.351 7.824 1.00 0.78 C ATOM 49 O LYS A 3 10.106 -3.196 7.737 1.00 1.17 O ATOM 50 CB LYS A 3 13.498 -2.429 7.582 1.00 1.91 C ATOM 51 CG LYS A 3 14.858 -2.361 8.272 1.00 2.62 C ATOM 52 CD LYS A 3 14.974 -1.158 9.201 1.00 3.43 C ATOM 53 CE LYS A 3 15.132 0.143 8.430 1.00 4.25 C ATOM 54 NZ LYS A 3 15.135 1.325 9.335 1.00 4.81 N ATOM 0 HA LYS A 3 12.435 -2.084 9.405 1.00 0.96 H new ATOM 0 HB2 LYS A 3 13.532 -3.211 6.823 1.00 1.91 H new ATOM 0 HB3 LYS A 3 13.325 -1.487 7.061 1.00 1.91 H new ATOM 0 HG2 LYS A 3 15.020 -3.275 8.843 1.00 2.62 H new ATOM 0 HG3 LYS A 3 15.644 -2.313 7.518 1.00 2.62 H new ATOM 0 HD2 LYS A 3 14.087 -1.100 9.832 1.00 3.43 H new ATOM 0 HD3 LYS A 3 15.829 -1.293 9.864 1.00 3.43 H new ATOM 0 HE2 LYS A 3 16.062 0.118 7.862 1.00 4.25 H new ATOM 0 HE3 LYS A 3 14.320 0.239 7.709 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 15.245 2.193 8.772 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 14.238 1.363 9.859 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 15.925 1.246 10.007 1.00 4.81 H new ATOM 68 N PRO A 4 10.847 -1.104 7.360 1.00 0.45 N ATOM 69 CA PRO A 4 9.780 -0.741 6.449 1.00 0.41 C ATOM 70 C PRO A 4 9.592 -1.796 5.365 1.00 0.39 C ATOM 71 O PRO A 4 10.555 -2.331 4.810 1.00 0.53 O ATOM 72 CB PRO A 4 10.256 0.586 5.840 1.00 0.59 C ATOM 73 CG PRO A 4 11.606 0.848 6.430 1.00 0.72 C ATOM 74 CD PRO A 4 11.654 0.065 7.703 1.00 0.80 C ATOM 0 HA PRO A 4 8.815 -0.659 6.950 1.00 0.41 H new ATOM 0 HB2 PRO A 4 10.311 0.519 4.753 1.00 0.59 H new ATOM 0 HB3 PRO A 4 9.564 1.394 6.075 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.398 0.536 5.749 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.750 1.912 6.620 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.673 -0.207 7.978 1.00 0.80 H new ATOM 0 HD3 PRO A 4 11.235 0.621 8.542 1.00 0.80 H new ATOM 82 N LYS A 5 8.347 -2.093 5.093 1.00 0.38 N ATOM 83 CA LYS A 5 7.981 -3.106 4.121 1.00 0.38 C ATOM 84 C LYS A 5 8.095 -2.557 2.702 1.00 0.35 C ATOM 85 O LYS A 5 8.138 -1.346 2.485 1.00 0.40 O ATOM 86 CB LYS A 5 6.536 -3.563 4.357 1.00 0.44 C ATOM 87 CG LYS A 5 6.212 -3.933 5.798 1.00 1.16 C ATOM 88 CD LYS A 5 6.872 -5.233 6.229 1.00 1.64 C ATOM 89 CE LYS A 5 6.448 -5.618 7.640 1.00 2.57 C ATOM 90 NZ LYS A 5 7.029 -6.919 8.064 1.00 3.33 N ATOM 0 H LYS A 5 7.550 -1.639 5.539 1.00 0.38 H new ATOM 0 HA LYS A 5 8.663 -3.948 4.239 1.00 0.38 H new ATOM 0 HB2 LYS A 5 5.862 -2.767 4.040 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.334 -4.425 3.721 1.00 0.44 H new ATOM 0 HG2 LYS A 5 6.537 -3.128 6.458 1.00 1.16 H new ATOM 0 HG3 LYS A 5 5.132 -4.023 5.912 1.00 1.16 H new ATOM 0 HD2 LYS A 5 6.603 -6.029 5.535 1.00 1.64 H new ATOM 0 HD3 LYS A 5 7.956 -5.126 6.187 1.00 1.64 H new ATOM 0 HE2 LYS A 5 6.758 -4.839 8.336 1.00 2.57 H new ATOM 0 HE3 LYS A 5 5.361 -5.674 7.688 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 6.597 -7.216 8.962 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 6.841 -7.637 7.336 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 8.056 -6.816 8.191 1.00 3.33 H new ATOM 104 N LEU A 6 8.154 -3.471 1.758 1.00 0.35 N ATOM 105 CA LEU A 6 8.142 -3.160 0.341 1.00 0.37 C ATOM 106 C LEU A 6 6.761 -3.505 -0.200 1.00 0.37 C ATOM 107 O LEU A 6 6.206 -4.560 0.131 1.00 0.46 O ATOM 108 CB LEU A 6 9.260 -3.967 -0.364 1.00 0.51 C ATOM 109 CG LEU A 6 9.411 -3.832 -1.893 1.00 0.64 C ATOM 110 CD1 LEU A 6 8.359 -4.647 -2.635 1.00 1.24 C ATOM 111 CD2 LEU A 6 9.361 -2.376 -2.330 1.00 1.49 C ATOM 0 H LEU A 6 8.213 -4.470 1.955 1.00 0.35 H new ATOM 0 HA LEU A 6 8.336 -2.103 0.158 1.00 0.37 H new ATOM 0 HB2 LEU A 6 10.210 -3.684 0.089 1.00 0.51 H new ATOM 0 HB3 LEU A 6 9.101 -5.021 -0.138 1.00 0.51 H new ATOM 0 HG LEU A 6 10.391 -4.232 -2.152 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.497 -4.527 -3.710 1.00 1.24 H new ATOM 0 HD12 LEU A 6 8.461 -5.700 -2.371 1.00 1.24 H new ATOM 0 HD13 LEU A 6 7.365 -4.298 -2.356 1.00 1.24 H new ATOM 0 HD21 LEU A 6 9.470 -2.317 -3.413 1.00 1.49 H new ATOM 0 HD22 LEU A 6 8.405 -1.941 -2.038 1.00 1.49 H new ATOM 0 HD23 LEU A 6 10.171 -1.825 -1.853 1.00 1.49 H new ATOM 123 N LEU A 7 6.200 -2.627 -1.014 1.00 0.36 N ATOM 124 CA LEU A 7 4.854 -2.827 -1.522 1.00 0.39 C ATOM 125 C LEU A 7 4.889 -3.489 -2.889 1.00 0.41 C ATOM 126 O LEU A 7 5.177 -2.858 -3.908 1.00 0.58 O ATOM 127 CB LEU A 7 4.100 -1.498 -1.582 1.00 0.55 C ATOM 128 CG LEU A 7 2.636 -1.600 -2.014 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.777 -0.667 -1.175 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.491 -1.271 -3.496 1.00 1.25 C ATOM 0 H LEU A 7 6.654 -1.772 -1.336 1.00 0.36 H new ATOM 0 HA LEU A 7 4.324 -3.490 -0.838 1.00 0.39 H new ATOM 0 HB2 LEU A 7 4.140 -1.031 -0.598 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.621 -0.834 -2.272 1.00 0.55 H new ATOM 0 HG LEU A 7 2.297 -2.624 -1.857 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.737 -0.748 -1.491 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.859 -0.943 -0.124 1.00 1.53 H new ATOM 0 HD13 LEU A 7 2.118 0.360 -1.308 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.443 -1.349 -3.785 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.844 -0.256 -3.680 1.00 1.25 H new ATOM 0 HD23 LEU A 7 3.083 -1.973 -4.084 1.00 1.25 H new ATOM 142 N TYR A 8 4.621 -4.780 -2.891 1.00 0.50 N ATOM 143 CA TYR A 8 4.577 -5.553 -4.119 1.00 0.71 C ATOM 144 C TYR A 8 3.193 -6.196 -4.335 1.00 0.44 C ATOM 145 O TYR A 8 2.902 -7.249 -3.790 1.00 0.73 O ATOM 146 CB TYR A 8 5.684 -6.622 -4.007 1.00 1.29 C ATOM 147 CG TYR A 8 5.710 -7.691 -5.080 1.00 1.60 C ATOM 148 CD1 TYR A 8 6.294 -7.454 -6.314 1.00 2.21 C ATOM 149 CD2 TYR A 8 5.173 -8.952 -4.843 1.00 1.84 C ATOM 150 CE1 TYR A 8 6.333 -8.437 -7.287 1.00 2.93 C ATOM 151 CE2 TYR A 8 5.211 -9.939 -5.808 1.00 2.43 C ATOM 152 CZ TYR A 8 5.790 -9.676 -7.028 1.00 2.96 C ATOM 153 OH TYR A 8 5.823 -10.652 -7.996 1.00 3.74 O ATOM 0 H TYR A 8 4.429 -5.321 -2.048 1.00 0.50 H new ATOM 0 HA TYR A 8 4.744 -4.911 -4.984 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.649 -6.114 -4.009 1.00 1.29 H new ATOM 0 HB3 TYR A 8 5.585 -7.114 -3.039 1.00 1.29 H new ATOM 0 HD1 TYR A 8 6.726 -6.486 -6.520 1.00 2.21 H new ATOM 0 HD2 TYR A 8 4.718 -9.163 -3.887 1.00 1.84 H new ATOM 0 HE1 TYR A 8 6.787 -8.234 -8.245 1.00 2.93 H new ATOM 0 HE2 TYR A 8 4.788 -10.912 -5.606 1.00 2.43 H new ATOM 0 HH TYR A 8 5.400 -11.467 -7.654 1.00 3.74 H new ATOM 163 N CYS A 9 2.357 -5.567 -5.169 1.00 0.63 N ATOM 164 CA CYS A 9 1.137 -6.207 -5.678 1.00 0.75 C ATOM 165 C CYS A 9 1.476 -6.747 -7.048 1.00 1.05 C ATOM 166 O CYS A 9 2.124 -6.071 -7.831 1.00 1.99 O ATOM 167 CB CYS A 9 -0.050 -5.239 -5.749 1.00 1.57 C ATOM 168 SG CYS A 9 0.051 -4.004 -7.055 1.00 2.64 S ATOM 0 H CYS A 9 2.502 -4.615 -5.506 1.00 0.63 H new ATOM 0 HA CYS A 9 0.823 -7.001 -5.000 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -0.963 -5.818 -5.887 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -0.139 -4.726 -4.791 1.00 1.57 H new ATOM 0 HG CYS A 9 -0.546 -2.915 -6.670 1.00 2.64 H new ATOM 174 N SER A 10 1.060 -7.935 -7.375 1.00 0.83 N ATOM 175 CA SER A 10 1.884 -8.694 -8.277 1.00 1.29 C ATOM 176 C SER A 10 1.393 -8.738 -9.710 1.00 0.84 C ATOM 177 O SER A 10 0.438 -9.430 -10.061 1.00 1.34 O ATOM 178 CB SER A 10 2.003 -10.122 -7.744 1.00 2.36 C ATOM 179 OG SER A 10 2.282 -10.121 -6.353 1.00 3.16 O ATOM 0 H SER A 10 0.203 -8.384 -7.053 1.00 0.83 H new ATOM 0 HA SER A 10 2.846 -8.183 -8.312 1.00 1.29 H new ATOM 0 HB2 SER A 10 1.076 -10.663 -7.933 1.00 2.36 H new ATOM 0 HB3 SER A 10 2.794 -10.649 -8.277 1.00 2.36 H new ATOM 0 HG SER A 10 3.237 -10.286 -6.211 1.00 3.16 H new ATOM 185 N ASN A 11 2.087 -7.952 -10.508 1.00 1.45 N ATOM 186 CA ASN A 11 2.568 -8.331 -11.814 1.00 1.79 C ATOM 187 C ASN A 11 4.060 -8.556 -11.596 1.00 1.40 C ATOM 188 O ASN A 11 4.576 -8.114 -10.559 1.00 1.83 O ATOM 189 CB ASN A 11 2.297 -7.270 -12.881 1.00 2.89 C ATOM 190 CG ASN A 11 2.659 -7.767 -14.269 1.00 3.45 C ATOM 191 OD1 ASN A 11 2.608 -8.967 -14.541 1.00 3.71 O ATOM 192 ND2 ASN A 11 3.026 -6.858 -15.155 1.00 4.02 N ATOM 0 H ASN A 11 2.339 -6.997 -10.252 1.00 1.45 H new ATOM 0 HA ASN A 11 2.057 -9.214 -12.197 1.00 1.79 H new ATOM 0 HB2 ASN A 11 1.244 -6.990 -12.857 1.00 2.89 H new ATOM 0 HB3 ASN A 11 2.871 -6.371 -12.655 1.00 2.89 H new ATOM 0 HD21 ASN A 11 3.279 -7.141 -16.102 1.00 4.02 H new ATOM 0 HD22 ASN A 11 3.056 -5.873 -14.892 1.00 4.02 H new ATOM 199 N GLY A 12 4.741 -9.230 -12.505 1.00 1.41 N ATOM 200 CA GLY A 12 6.093 -9.712 -12.233 1.00 1.36 C ATOM 201 C GLY A 12 7.176 -8.638 -12.064 1.00 1.49 C ATOM 202 O GLY A 12 8.046 -8.485 -12.920 1.00 2.34 O ATOM 0 H GLY A 12 4.387 -9.458 -13.434 1.00 1.41 H new ATOM 0 HA2 GLY A 12 6.065 -10.316 -11.326 1.00 1.36 H new ATOM 0 HA3 GLY A 12 6.391 -10.373 -13.047 1.00 1.36 H new ATOM 206 N GLY A 13 7.102 -7.903 -10.954 1.00 0.97 N ATOM 207 CA GLY A 13 8.248 -7.159 -10.435 1.00 1.26 C ATOM 208 C GLY A 13 8.262 -5.658 -10.698 1.00 0.84 C ATOM 209 O GLY A 13 8.874 -5.186 -11.655 1.00 0.89 O ATOM 0 H GLY A 13 6.254 -7.807 -10.395 1.00 0.97 H new ATOM 0 HA2 GLY A 13 8.297 -7.317 -9.358 1.00 1.26 H new ATOM 0 HA3 GLY A 13 9.155 -7.588 -10.862 1.00 1.26 H new ATOM 213 N HIS A 14 7.579 -4.905 -9.843 1.00 0.78 N ATOM 214 CA HIS A 14 7.809 -3.478 -9.680 1.00 0.61 C ATOM 215 C HIS A 14 7.912 -3.185 -8.185 1.00 0.61 C ATOM 216 O HIS A 14 7.570 -4.042 -7.371 1.00 0.92 O ATOM 217 CB HIS A 14 6.732 -2.623 -10.357 1.00 0.85 C ATOM 218 CG HIS A 14 7.147 -2.072 -11.692 1.00 0.75 C ATOM 219 ND1 HIS A 14 6.311 -1.327 -12.496 1.00 1.31 N ATOM 220 CD2 HIS A 14 8.328 -2.144 -12.353 1.00 1.07 C ATOM 221 CE1 HIS A 14 6.955 -0.971 -13.590 1.00 1.17 C ATOM 222 NE2 HIS A 14 8.180 -1.452 -13.529 1.00 0.95 N ATOM 0 H HIS A 14 6.844 -5.273 -9.239 1.00 0.78 H new ATOM 0 HA HIS A 14 8.739 -3.207 -10.179 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.832 -3.224 -10.486 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.471 -1.795 -9.698 1.00 0.85 H new ATOM 0 HD2 HIS A 14 9.220 -2.652 -12.017 1.00 1.07 H new ATOM 0 HE1 HIS A 14 6.547 -0.384 -14.400 1.00 1.17 H new ATOM 0 HE2 HIS A 14 8.901 -1.330 -14.240 1.00 0.95 H new ATOM 231 N PHE A 15 8.367 -2.002 -7.826 1.00 0.49 N ATOM 232 CA PHE A 15 8.536 -1.628 -6.429 1.00 0.45 C ATOM 233 C PHE A 15 7.952 -0.240 -6.230 1.00 0.39 C ATOM 234 O PHE A 15 8.387 0.711 -6.877 1.00 0.41 O ATOM 235 CB PHE A 15 10.019 -1.641 -6.036 1.00 0.51 C ATOM 236 CG PHE A 15 10.693 -2.973 -6.229 1.00 0.83 C ATOM 237 CD1 PHE A 15 10.594 -3.962 -5.265 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.425 -3.237 -7.376 1.00 1.15 C ATOM 239 CE1 PHE A 15 11.210 -5.187 -5.439 1.00 1.61 C ATOM 240 CE2 PHE A 15 12.042 -4.461 -7.557 1.00 1.62 C ATOM 241 CZ PHE A 15 11.934 -5.436 -6.587 1.00 1.82 C ATOM 0 H PHE A 15 8.630 -1.272 -8.488 1.00 0.49 H new ATOM 0 HA PHE A 15 8.019 -2.347 -5.794 1.00 0.45 H new ATOM 0 HB2 PHE A 15 10.547 -0.890 -6.624 1.00 0.51 H new ATOM 0 HB3 PHE A 15 10.109 -1.348 -4.990 1.00 0.51 H new ATOM 0 HD1 PHE A 15 10.028 -3.774 -4.365 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.515 -2.477 -8.138 1.00 1.15 H new ATOM 0 HE1 PHE A 15 11.125 -5.948 -4.678 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.608 -4.654 -8.457 1.00 1.62 H new ATOM 0 HZ PHE A 15 12.415 -6.393 -6.726 1.00 1.82 H new ATOM 251 N LEU A 16 6.982 -0.110 -5.342 1.00 0.43 N ATOM 252 CA LEU A 16 6.250 1.128 -5.216 1.00 0.50 C ATOM 253 C LEU A 16 6.932 2.076 -4.223 1.00 0.48 C ATOM 254 O LEU A 16 7.139 1.745 -3.057 1.00 0.64 O ATOM 255 CB LEU A 16 4.840 0.768 -4.778 1.00 0.75 C ATOM 256 CG LEU A 16 3.843 1.903 -4.734 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.669 1.612 -5.657 1.00 2.23 C ATOM 258 CD2 LEU A 16 3.379 2.099 -3.312 1.00 1.59 C ATOM 0 H LEU A 16 6.687 -0.847 -4.701 1.00 0.43 H new ATOM 0 HA LEU A 16 6.223 1.661 -6.166 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.457 0.002 -5.452 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.894 0.321 -3.785 1.00 0.75 H new ATOM 0 HG LEU A 16 4.317 2.821 -5.081 1.00 1.35 H new ATOM 0 HD11 LEU A 16 1.959 2.438 -5.615 1.00 2.23 H new ATOM 0 HD12 LEU A 16 3.030 1.496 -6.679 1.00 2.23 H new ATOM 0 HD13 LEU A 16 2.176 0.693 -5.340 1.00 2.23 H new ATOM 0 HD21 LEU A 16 2.659 2.917 -3.274 1.00 1.59 H new ATOM 0 HD22 LEU A 16 2.908 1.184 -2.954 1.00 1.59 H new ATOM 0 HD23 LEU A 16 4.234 2.338 -2.680 1.00 1.59 H new ATOM 270 N ARG A 17 7.293 3.253 -4.735 1.00 0.40 N ATOM 271 CA ARG A 17 8.193 4.179 -4.059 1.00 0.42 C ATOM 272 C ARG A 17 7.581 5.565 -4.084 1.00 0.35 C ATOM 273 O ARG A 17 6.785 5.865 -4.979 1.00 0.37 O ATOM 274 CB ARG A 17 9.573 4.204 -4.734 1.00 0.59 C ATOM 275 CG ARG A 17 9.627 5.020 -6.017 1.00 1.00 C ATOM 276 CD ARG A 17 9.102 4.241 -7.208 1.00 1.17 C ATOM 277 NE ARG A 17 8.441 5.105 -8.180 1.00 1.46 N ATOM 278 CZ ARG A 17 9.063 5.776 -9.145 1.00 1.93 C ATOM 279 NH1 ARG A 17 10.388 5.735 -9.249 1.00 2.43 N ATOM 280 NH2 ARG A 17 8.351 6.493 -10.000 1.00 2.61 N ATOM 0 H ARG A 17 6.964 3.591 -5.640 1.00 0.40 H new ATOM 0 HA ARG A 17 8.331 3.848 -3.030 1.00 0.42 H new ATOM 0 HB2 ARG A 17 10.302 4.606 -4.030 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.875 3.180 -4.955 1.00 0.59 H new ATOM 0 HG2 ARG A 17 9.041 5.931 -5.892 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.655 5.326 -6.209 1.00 1.00 H new ATOM 0 HD2 ARG A 17 9.927 3.718 -7.691 1.00 1.17 H new ATOM 0 HD3 ARG A 17 8.401 3.481 -6.863 1.00 1.17 H new ATOM 0 HE ARG A 17 7.428 5.201 -8.115 1.00 1.46 H new ATOM 0 HH11 ARG A 17 10.935 5.186 -8.586 1.00 2.43 H new ATOM 0 HH12 ARG A 17 10.857 6.253 -9.992 1.00 2.43 H new ATOM 0 HH21 ARG A 17 7.335 6.527 -9.915 1.00 2.61 H new ATOM 0 HH22 ARG A 17 8.818 7.011 -10.744 1.00 2.61 H new ATOM 294 N ILE A 18 7.924 6.411 -3.130 1.00 0.33 N ATOM 295 CA ILE A 18 7.391 7.750 -3.138 1.00 0.31 C ATOM 296 C ILE A 18 8.340 8.715 -3.819 1.00 0.32 C ATOM 297 O ILE A 18 9.566 8.576 -3.762 1.00 0.36 O ATOM 298 CB ILE A 18 7.095 8.297 -1.727 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.357 8.887 -1.084 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.517 7.205 -0.852 1.00 0.41 C ATOM 301 CD1 ILE A 18 8.079 9.737 0.138 1.00 0.91 C ATOM 0 H ILE A 18 8.555 6.197 -2.358 1.00 0.33 H new ATOM 0 HA ILE A 18 6.453 7.677 -3.688 1.00 0.31 H new ATOM 0 HB ILE A 18 6.362 9.098 -1.822 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.026 8.073 -0.805 1.00 0.45 H new ATOM 0 HG13 ILE A 18 8.882 9.491 -1.824 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.313 7.605 0.141 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.590 6.838 -1.293 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.231 6.385 -0.773 1.00 0.41 H new ATOM 0 HD11 ILE A 18 9.019 10.119 0.537 1.00 0.91 H new ATOM 0 HD12 ILE A 18 7.436 10.572 -0.139 1.00 0.91 H new ATOM 0 HD13 ILE A 18 7.582 9.132 0.896 1.00 0.91 H new ATOM 313 N LEU A 19 7.744 9.656 -4.507 1.00 0.36 N ATOM 314 CA LEU A 19 8.444 10.810 -5.015 1.00 0.42 C ATOM 315 C LEU A 19 7.757 12.044 -4.453 1.00 0.41 C ATOM 316 O LEU A 19 6.579 11.981 -4.081 1.00 0.43 O ATOM 317 CB LEU A 19 8.455 10.830 -6.554 1.00 0.54 C ATOM 318 CG LEU A 19 7.102 10.619 -7.243 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.130 11.215 -8.639 1.00 1.56 C ATOM 320 CD2 LEU A 19 6.767 9.137 -7.325 1.00 1.84 C ATOM 0 H LEU A 19 6.749 9.643 -4.733 1.00 0.36 H new ATOM 0 HA LEU A 19 9.488 10.782 -4.703 1.00 0.42 H new ATOM 0 HB2 LEU A 19 8.861 11.787 -6.881 1.00 0.54 H new ATOM 0 HB3 LEU A 19 9.141 10.058 -6.902 1.00 0.54 H new ATOM 0 HG LEU A 19 6.334 11.119 -6.652 1.00 0.96 H new ATOM 0 HD11 LEU A 19 6.164 11.060 -9.120 1.00 1.56 H new ATOM 0 HD12 LEU A 19 7.336 12.283 -8.574 1.00 1.56 H new ATOM 0 HD13 LEU A 19 7.910 10.730 -9.226 1.00 1.56 H new ATOM 0 HD21 LEU A 19 5.803 9.009 -7.817 1.00 1.84 H new ATOM 0 HD22 LEU A 19 7.538 8.621 -7.897 1.00 1.84 H new ATOM 0 HD23 LEU A 19 6.720 8.719 -6.320 1.00 1.84 H new ATOM 332 N PRO A 20 8.455 13.186 -4.390 1.00 0.54 N ATOM 333 CA PRO A 20 7.944 14.393 -3.723 1.00 0.67 C ATOM 334 C PRO A 20 6.868 15.090 -4.543 1.00 0.68 C ATOM 335 O PRO A 20 6.421 16.191 -4.214 1.00 0.84 O ATOM 336 CB PRO A 20 9.176 15.298 -3.628 1.00 0.89 C ATOM 337 CG PRO A 20 10.343 14.433 -3.969 1.00 0.96 C ATOM 338 CD PRO A 20 9.814 13.393 -4.904 1.00 0.70 C ATOM 0 HA PRO A 20 7.485 14.158 -2.763 1.00 0.67 H new ATOM 0 HB2 PRO A 20 9.098 16.139 -4.317 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.278 15.716 -2.626 1.00 0.89 H new ATOM 0 HG2 PRO A 20 11.137 15.014 -4.438 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.767 13.977 -3.075 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.811 13.737 -5.938 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.406 12.478 -4.874 1.00 0.70 H new ATOM 346 N ASP A 21 6.452 14.426 -5.603 1.00 0.62 N ATOM 347 CA ASP A 21 5.371 14.911 -6.444 1.00 0.78 C ATOM 348 C ASP A 21 4.034 14.603 -5.786 1.00 0.75 C ATOM 349 O ASP A 21 3.034 15.275 -6.031 1.00 0.99 O ATOM 350 CB ASP A 21 5.444 14.261 -7.827 1.00 0.94 C ATOM 351 CG ASP A 21 4.407 14.805 -8.787 1.00 1.51 C ATOM 352 OD1 ASP A 21 4.640 15.888 -9.366 1.00 1.71 O ATOM 353 OD2 ASP A 21 3.363 14.153 -8.974 1.00 2.30 O ATOM 0 H ASP A 21 6.851 13.538 -5.907 1.00 0.62 H new ATOM 0 HA ASP A 21 5.469 15.990 -6.564 1.00 0.78 H new ATOM 0 HB2 ASP A 21 6.438 14.419 -8.246 1.00 0.94 H new ATOM 0 HB3 ASP A 21 5.308 13.184 -7.725 1.00 0.94 H new ATOM 358 N GLY A 22 4.037 13.597 -4.918 1.00 0.59 N ATOM 359 CA GLY A 22 2.824 13.201 -4.231 1.00 0.72 C ATOM 360 C GLY A 22 2.338 11.835 -4.665 1.00 0.61 C ATOM 361 O GLY A 22 1.150 11.526 -4.568 1.00 0.81 O ATOM 0 H GLY A 22 4.862 13.047 -4.678 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.003 13.196 -3.156 1.00 0.72 H new ATOM 0 HA3 GLY A 22 2.044 13.939 -4.421 1.00 0.72 H new ATOM 365 N THR A 23 3.261 11.007 -5.130 1.00 0.43 N ATOM 366 CA THR A 23 2.936 9.705 -5.630 1.00 0.39 C ATOM 367 C THR A 23 3.665 8.635 -4.862 1.00 0.40 C ATOM 368 O THR A 23 4.781 8.847 -4.388 1.00 0.46 O ATOM 369 CB THR A 23 3.404 9.571 -7.067 1.00 0.44 C ATOM 370 OG1 THR A 23 3.527 10.873 -7.660 1.00 0.49 O ATOM 371 CG2 THR A 23 2.441 8.733 -7.875 1.00 0.59 C ATOM 0 H THR A 23 4.255 11.231 -5.166 1.00 0.43 H new ATOM 0 HA THR A 23 1.856 9.588 -5.537 1.00 0.39 H new ATOM 0 HB THR A 23 4.374 9.074 -7.066 1.00 0.44 H new ATOM 0 HG1 THR A 23 3.831 10.783 -8.587 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.800 8.653 -8.901 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.369 7.737 -7.437 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.458 9.203 -7.871 1.00 0.59 H new ATOM 379 N VAL A 24 3.028 7.498 -4.739 1.00 0.47 N ATOM 380 CA VAL A 24 3.743 6.280 -4.459 1.00 0.56 C ATOM 381 C VAL A 24 3.342 5.227 -5.514 1.00 0.42 C ATOM 382 O VAL A 24 2.209 4.745 -5.566 1.00 0.50 O ATOM 383 CB VAL A 24 3.501 5.812 -3.004 1.00 0.91 C ATOM 384 CG1 VAL A 24 2.147 5.159 -2.845 1.00 0.97 C ATOM 385 CG2 VAL A 24 4.621 4.903 -2.533 1.00 1.61 C ATOM 0 H VAL A 24 2.018 7.391 -4.828 1.00 0.47 H new ATOM 0 HA VAL A 24 4.818 6.443 -4.532 1.00 0.56 H new ATOM 0 HB VAL A 24 3.503 6.697 -2.367 1.00 0.91 H new ATOM 0 HG11 VAL A 24 2.014 4.844 -1.810 1.00 0.97 H new ATOM 0 HG12 VAL A 24 1.366 5.872 -3.110 1.00 0.97 H new ATOM 0 HG13 VAL A 24 2.083 4.290 -3.500 1.00 0.97 H new ATOM 0 HG21 VAL A 24 4.427 4.588 -1.508 1.00 1.61 H new ATOM 0 HG22 VAL A 24 4.674 4.026 -3.178 1.00 1.61 H new ATOM 0 HG23 VAL A 24 5.568 5.441 -2.574 1.00 1.61 H new ATOM 395 N ASP A 25 4.257 4.973 -6.430 1.00 0.37 N ATOM 396 CA ASP A 25 4.019 4.067 -7.567 1.00 0.37 C ATOM 397 C ASP A 25 5.130 3.065 -7.705 1.00 0.39 C ATOM 398 O ASP A 25 6.229 3.308 -7.218 1.00 0.43 O ATOM 399 CB ASP A 25 3.890 4.863 -8.870 1.00 0.48 C ATOM 400 CG ASP A 25 5.207 5.475 -9.324 1.00 0.80 C ATOM 401 OD1 ASP A 25 5.964 4.799 -10.050 1.00 1.10 O ATOM 402 OD2 ASP A 25 5.496 6.631 -8.954 1.00 1.16 O ATOM 0 H ASP A 25 5.191 5.383 -6.418 1.00 0.37 H new ATOM 0 HA ASP A 25 3.088 3.534 -7.373 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.511 4.208 -9.654 1.00 0.48 H new ATOM 0 HB3 ASP A 25 3.155 5.656 -8.734 1.00 0.48 H new ATOM 407 N GLY A 26 4.872 1.935 -8.370 1.00 0.38 N ATOM 408 CA GLY A 26 5.957 1.004 -8.539 1.00 0.40 C ATOM 409 C GLY A 26 6.743 1.191 -9.812 1.00 0.42 C ATOM 410 O GLY A 26 6.217 1.309 -10.915 1.00 0.52 O ATOM 0 H GLY A 26 3.975 1.665 -8.773 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.635 1.096 -7.690 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.557 -0.010 -8.519 1.00 0.40 H new ATOM 414 N THR A 27 8.022 1.147 -9.594 1.00 0.42 N ATOM 415 CA THR A 27 9.073 1.257 -10.579 1.00 0.50 C ATOM 416 C THR A 27 10.180 0.383 -10.050 1.00 0.54 C ATOM 417 O THR A 27 10.248 0.231 -8.833 1.00 0.56 O ATOM 418 CB THR A 27 9.539 2.714 -10.713 1.00 0.57 C ATOM 419 OG1 THR A 27 8.549 3.485 -11.406 1.00 0.67 O ATOM 420 CG2 THR A 27 10.874 2.801 -11.429 1.00 0.70 C ATOM 0 H THR A 27 8.394 1.024 -8.652 1.00 0.42 H new ATOM 0 HA THR A 27 8.746 0.950 -11.573 1.00 0.50 H new ATOM 0 HB THR A 27 9.671 3.122 -9.711 1.00 0.57 H new ATOM 0 HG1 THR A 27 7.858 3.774 -10.774 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.177 3.845 -11.508 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.625 2.247 -10.866 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.780 2.374 -12.427 1.00 0.70 H new ATOM 428 N ARG A 28 11.036 -0.242 -10.845 1.00 0.64 N ATOM 429 CA ARG A 28 11.975 -1.080 -10.151 1.00 0.71 C ATOM 430 C ARG A 28 13.131 -0.233 -9.682 1.00 0.65 C ATOM 431 O ARG A 28 13.985 0.218 -10.447 1.00 0.72 O ATOM 432 CB ARG A 28 12.469 -2.199 -11.050 1.00 0.91 C ATOM 433 CG ARG A 28 13.533 -3.086 -10.416 1.00 1.56 C ATOM 434 CD ARG A 28 14.020 -4.151 -11.385 1.00 1.84 C ATOM 435 NE ARG A 28 12.955 -5.082 -11.771 1.00 2.32 N ATOM 436 CZ ARG A 28 12.469 -5.193 -13.008 1.00 2.92 C ATOM 437 NH1 ARG A 28 12.912 -4.406 -13.977 1.00 3.18 N ATOM 438 NH2 ARG A 28 11.532 -6.091 -13.274 1.00 3.76 N ATOM 0 H ARG A 28 11.097 -0.193 -11.862 1.00 0.64 H new ATOM 0 HA ARG A 28 11.482 -1.538 -9.293 1.00 0.71 H new ATOM 0 HB2 ARG A 28 11.620 -2.819 -11.339 1.00 0.91 H new ATOM 0 HB3 ARG A 28 12.872 -1.764 -11.964 1.00 0.91 H new ATOM 0 HG2 ARG A 28 14.375 -2.473 -10.094 1.00 1.56 H new ATOM 0 HG3 ARG A 28 13.127 -3.563 -9.524 1.00 1.56 H new ATOM 0 HD2 ARG A 28 14.421 -3.671 -12.278 1.00 1.84 H new ATOM 0 HD3 ARG A 28 14.838 -4.708 -10.928 1.00 1.84 H new ATOM 0 HE ARG A 28 12.561 -5.683 -11.047 1.00 2.32 H new ATOM 0 HH11 ARG A 28 13.630 -3.709 -13.780 1.00 3.18 H new ATOM 0 HH12 ARG A 28 12.535 -4.497 -14.920 1.00 3.18 H new ATOM 0 HH21 ARG A 28 11.182 -6.698 -12.533 1.00 3.76 H new ATOM 0 HH22 ARG A 28 11.161 -6.176 -14.220 1.00 3.76 H new ATOM 452 N ASP A 29 13.084 -0.019 -8.393 1.00 0.68 N ATOM 453 CA ASP A 29 14.181 0.479 -7.583 1.00 0.69 C ATOM 454 C ASP A 29 14.060 -0.092 -6.182 1.00 0.81 C ATOM 455 O ASP A 29 13.103 0.210 -5.487 1.00 1.48 O ATOM 456 CB ASP A 29 14.162 2.010 -7.518 1.00 1.04 C ATOM 457 CG ASP A 29 15.065 2.566 -6.424 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.253 2.178 -6.369 1.00 1.84 O ATOM 459 OD2 ASP A 29 14.588 3.399 -5.619 1.00 2.20 O ATOM 0 H ASP A 29 12.241 -0.194 -7.846 1.00 0.68 H new ATOM 0 HA ASP A 29 15.123 0.168 -8.036 1.00 0.69 H new ATOM 0 HB2 ASP A 29 14.475 2.414 -8.481 1.00 1.04 H new ATOM 0 HB3 ASP A 29 13.140 2.349 -7.347 1.00 1.04 H new ATOM 464 N ARG A 30 14.985 -0.915 -5.768 1.00 0.62 N ATOM 465 CA ARG A 30 15.084 -1.271 -4.365 1.00 0.91 C ATOM 466 C ARG A 30 16.514 -1.091 -3.903 1.00 1.03 C ATOM 467 O ARG A 30 16.920 -1.588 -2.852 1.00 1.18 O ATOM 468 CB ARG A 30 14.561 -2.690 -4.105 1.00 1.63 C ATOM 469 CG ARG A 30 15.177 -3.781 -4.980 1.00 2.20 C ATOM 470 CD ARG A 30 16.573 -4.155 -4.507 1.00 2.58 C ATOM 471 NE ARG A 30 17.162 -5.252 -5.272 1.00 3.27 N ATOM 472 CZ ARG A 30 18.343 -5.795 -4.984 1.00 3.80 C ATOM 473 NH1 ARG A 30 19.055 -5.332 -3.961 1.00 3.96 N ATOM 474 NH2 ARG A 30 18.812 -6.794 -5.721 1.00 4.57 N ATOM 0 H ARG A 30 15.680 -1.353 -6.372 1.00 0.62 H new ATOM 0 HA ARG A 30 14.448 -0.606 -3.781 1.00 0.91 H new ATOM 0 HB2 ARG A 30 14.741 -2.940 -3.060 1.00 1.63 H new ATOM 0 HB3 ARG A 30 13.481 -2.695 -4.253 1.00 1.63 H new ATOM 0 HG2 ARG A 30 14.538 -4.664 -4.965 1.00 2.20 H new ATOM 0 HG3 ARG A 30 15.222 -3.437 -6.013 1.00 2.20 H new ATOM 0 HD2 ARG A 30 17.221 -3.281 -4.578 1.00 2.58 H new ATOM 0 HD3 ARG A 30 16.531 -4.435 -3.455 1.00 2.58 H new ATOM 0 HE ARG A 30 16.641 -5.621 -6.068 1.00 3.27 H new ATOM 0 HH11 ARG A 30 18.696 -4.561 -3.397 1.00 3.96 H new ATOM 0 HH12 ARG A 30 19.960 -5.748 -3.740 1.00 3.96 H new ATOM 0 HH21 ARG A 30 18.268 -7.146 -6.508 1.00 4.57 H new ATOM 0 HH22 ARG A 30 19.717 -7.210 -5.500 1.00 4.57 H new ATOM 488 N SER A 31 17.271 -0.372 -4.711 1.00 1.72 N ATOM 489 CA SER A 31 18.676 -0.169 -4.449 1.00 2.60 C ATOM 490 C SER A 31 18.872 1.110 -3.649 1.00 2.41 C ATOM 491 O SER A 31 19.912 1.305 -3.015 1.00 2.90 O ATOM 492 CB SER A 31 19.448 -0.112 -5.768 1.00 3.49 C ATOM 493 OG SER A 31 20.843 -0.262 -5.559 1.00 4.00 O ATOM 0 H SER A 31 16.930 0.082 -5.558 1.00 1.72 H new ATOM 0 HA SER A 31 19.060 -1.004 -3.863 1.00 2.60 H new ATOM 0 HB2 SER A 31 19.092 -0.898 -6.434 1.00 3.49 H new ATOM 0 HB3 SER A 31 19.253 0.839 -6.264 1.00 3.49 H new ATOM 0 HG SER A 31 21.309 -0.223 -6.420 1.00 4.00 H new ATOM 499 N ASP A 32 17.865 1.975 -3.659 1.00 1.76 N ATOM 500 CA ASP A 32 17.944 3.209 -2.915 1.00 1.59 C ATOM 501 C ASP A 32 16.843 3.214 -1.874 1.00 1.18 C ATOM 502 O ASP A 32 16.117 2.231 -1.713 1.00 1.25 O ATOM 503 CB ASP A 32 17.829 4.420 -3.854 1.00 1.59 C ATOM 504 CG ASP A 32 18.397 5.693 -3.242 1.00 1.92 C ATOM 505 OD1 ASP A 32 17.668 6.389 -2.507 1.00 2.37 O ATOM 506 OD2 ASP A 32 19.582 5.999 -3.487 1.00 2.08 O ATOM 0 H ASP A 32 16.994 1.839 -4.172 1.00 1.76 H new ATOM 0 HA ASP A 32 18.912 3.281 -2.418 1.00 1.59 H new ATOM 0 HB2 ASP A 32 18.353 4.204 -4.785 1.00 1.59 H new ATOM 0 HB3 ASP A 32 16.781 4.580 -4.108 1.00 1.59 H new ATOM 511 N GLN A 33 16.706 4.316 -1.189 1.00 1.02 N ATOM 512 CA GLN A 33 15.807 4.404 -0.068 1.00 0.76 C ATOM 513 C GLN A 33 14.533 5.155 -0.445 1.00 0.55 C ATOM 514 O GLN A 33 14.302 6.272 -0.001 1.00 0.72 O ATOM 515 CB GLN A 33 16.548 5.059 1.097 1.00 1.03 C ATOM 516 CG GLN A 33 17.051 6.467 0.797 1.00 1.73 C ATOM 517 CD GLN A 33 17.981 7.015 1.861 1.00 2.18 C ATOM 518 OE1 GLN A 33 18.850 7.837 1.569 1.00 2.42 O ATOM 519 NE2 GLN A 33 17.820 6.567 3.094 1.00 2.92 N ATOM 0 H GLN A 33 17.213 5.178 -1.391 1.00 1.02 H new ATOM 0 HA GLN A 33 15.489 3.407 0.237 1.00 0.76 H new ATOM 0 HB2 GLN A 33 15.885 5.097 1.961 1.00 1.03 H new ATOM 0 HB3 GLN A 33 17.396 4.432 1.374 1.00 1.03 H new ATOM 0 HG2 GLN A 33 17.570 6.462 -0.161 1.00 1.73 H new ATOM 0 HG3 GLN A 33 16.196 7.135 0.693 1.00 1.73 H new ATOM 0 HE21 GLN A 33 17.089 5.886 3.298 1.00 2.92 H new ATOM 0 HE22 GLN A 33 18.427 6.903 3.842 1.00 2.92 H new ATOM 528 N HIS A 34 13.710 4.545 -1.281 1.00 0.44 N ATOM 529 CA HIS A 34 12.464 5.179 -1.700 1.00 0.36 C ATOM 530 C HIS A 34 11.262 4.297 -1.385 1.00 0.32 C ATOM 531 O HIS A 34 10.173 4.791 -1.111 1.00 0.37 O ATOM 532 CB HIS A 34 12.478 5.458 -3.208 1.00 0.57 C ATOM 533 CG HIS A 34 13.633 6.285 -3.685 1.00 0.85 C ATOM 534 ND1 HIS A 34 14.543 5.831 -4.616 1.00 1.54 N ATOM 535 CD2 HIS A 34 14.007 7.551 -3.384 1.00 1.29 C ATOM 536 CE1 HIS A 34 15.423 6.782 -4.865 1.00 1.61 C ATOM 537 NE2 HIS A 34 15.123 7.837 -4.130 1.00 1.34 N ATOM 0 H HIS A 34 13.876 3.622 -1.681 1.00 0.44 H new ATOM 0 HA HIS A 34 12.381 6.116 -1.149 1.00 0.36 H new ATOM 0 HB2 HIS A 34 12.488 4.506 -3.739 1.00 0.57 H new ATOM 0 HB3 HIS A 34 11.551 5.964 -3.478 1.00 0.57 H new ATOM 0 HD1 HIS A 34 14.537 4.906 -5.045 1.00 1.54 H new ATOM 0 HD2 HIS A 34 13.517 8.214 -2.686 1.00 1.29 H new ATOM 0 HE1 HIS A 34 16.251 6.710 -5.555 1.00 1.61 H new ATOM 546 N ILE A 35 11.468 2.992 -1.441 1.00 0.38 N ATOM 547 CA ILE A 35 10.369 2.037 -1.370 1.00 0.45 C ATOM 548 C ILE A 35 10.036 1.577 0.052 1.00 0.46 C ATOM 549 O ILE A 35 9.414 0.529 0.223 1.00 0.63 O ATOM 550 CB ILE A 35 10.680 0.793 -2.236 1.00 0.63 C ATOM 551 CG1 ILE A 35 11.756 -0.115 -1.596 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.123 1.228 -3.623 1.00 1.51 C ATOM 553 CD1 ILE A 35 13.156 0.468 -1.547 1.00 2.04 C ATOM 0 H ILE A 35 12.390 2.566 -1.536 1.00 0.38 H new ATOM 0 HA ILE A 35 9.496 2.569 -1.749 1.00 0.45 H new ATOM 0 HB ILE A 35 9.764 0.207 -2.307 1.00 0.63 H new ATOM 0 HG12 ILE A 35 11.446 -0.356 -0.579 1.00 1.16 H new ATOM 0 HG13 ILE A 35 11.791 -1.053 -2.149 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.341 0.348 -4.228 1.00 1.51 H new ATOM 0 HG22 ILE A 35 10.328 1.805 -4.095 1.00 1.51 H new ATOM 0 HG23 ILE A 35 12.019 1.843 -3.542 1.00 1.51 H new ATOM 0 HD11 ILE A 35 13.832 -0.248 -1.080 1.00 2.04 H new ATOM 0 HD12 ILE A 35 13.497 0.682 -2.560 1.00 2.04 H new ATOM 0 HD13 ILE A 35 13.146 1.390 -0.966 1.00 2.04 H new ATOM 565 N GLN A 36 10.415 2.331 1.076 1.00 0.38 N ATOM 566 CA GLN A 36 10.297 1.787 2.423 1.00 0.37 C ATOM 567 C GLN A 36 9.088 2.339 3.196 1.00 0.35 C ATOM 568 O GLN A 36 9.169 3.333 3.936 1.00 0.35 O ATOM 569 CB GLN A 36 11.603 2.054 3.180 1.00 0.43 C ATOM 570 CG GLN A 36 11.922 3.530 3.383 1.00 0.52 C ATOM 571 CD GLN A 36 13.389 3.840 3.194 1.00 0.71 C ATOM 572 OE1 GLN A 36 13.918 4.769 3.801 1.00 1.17 O ATOM 573 NE2 GLN A 36 14.057 3.071 2.348 1.00 1.29 N ATOM 0 H GLN A 36 10.790 3.277 1.009 1.00 0.38 H new ATOM 0 HA GLN A 36 10.124 0.714 2.337 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.550 1.569 4.155 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.425 1.588 2.637 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.336 4.124 2.682 1.00 0.52 H new ATOM 0 HG3 GLN A 36 11.618 3.829 4.386 1.00 0.52 H new ATOM 0 HE21 GLN A 36 13.580 2.310 1.865 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.049 3.239 2.180 1.00 1.29 H new ATOM 582 N LEU A 37 8.002 1.590 3.148 1.00 0.36 N ATOM 583 CA LEU A 37 6.817 1.943 3.902 1.00 0.35 C ATOM 584 C LEU A 37 6.547 0.914 4.961 1.00 0.37 C ATOM 585 O LEU A 37 6.504 -0.283 4.702 1.00 0.48 O ATOM 586 CB LEU A 37 5.592 2.153 3.011 1.00 0.38 C ATOM 587 CG LEU A 37 5.546 1.358 1.695 1.00 0.45 C ATOM 588 CD1 LEU A 37 5.202 -0.101 1.944 1.00 0.94 C ATOM 589 CD2 LEU A 37 4.543 1.979 0.733 1.00 0.94 C ATOM 0 H LEU A 37 7.917 0.736 2.596 1.00 0.36 H new ATOM 0 HA LEU A 37 7.014 2.901 4.383 1.00 0.35 H new ATOM 0 HB2 LEU A 37 4.704 1.902 3.591 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.526 3.214 2.769 1.00 0.38 H new ATOM 0 HG LEU A 37 6.538 1.399 1.246 1.00 0.45 H new ATOM 0 HD11 LEU A 37 5.177 -0.636 0.995 1.00 0.94 H new ATOM 0 HD12 LEU A 37 5.956 -0.547 2.592 1.00 0.94 H new ATOM 0 HD13 LEU A 37 4.226 -0.168 2.424 1.00 0.94 H new ATOM 0 HD21 LEU A 37 4.523 1.404 -0.193 1.00 0.94 H new ATOM 0 HD22 LEU A 37 3.552 1.972 1.186 1.00 0.94 H new ATOM 0 HD23 LEU A 37 4.835 3.006 0.516 1.00 0.94 H new ATOM 601 N GLN A 38 6.346 1.382 6.157 1.00 0.34 N ATOM 602 CA GLN A 38 6.292 0.501 7.289 1.00 0.39 C ATOM 603 C GLN A 38 4.845 0.101 7.553 1.00 0.40 C ATOM 604 O GLN A 38 4.014 0.914 7.951 1.00 0.41 O ATOM 605 CB GLN A 38 7.003 1.159 8.485 1.00 0.45 C ATOM 606 CG GLN A 38 6.393 0.844 9.835 1.00 0.93 C ATOM 607 CD GLN A 38 7.218 1.371 10.990 1.00 1.37 C ATOM 608 OE1 GLN A 38 7.891 2.395 10.878 1.00 2.05 O ATOM 609 NE2 GLN A 38 7.173 0.670 12.110 1.00 2.12 N ATOM 0 H GLN A 38 6.216 2.370 6.376 1.00 0.34 H new ATOM 0 HA GLN A 38 6.828 -0.428 7.096 1.00 0.39 H new ATOM 0 HB2 GLN A 38 8.046 0.842 8.490 1.00 0.45 H new ATOM 0 HB3 GLN A 38 6.999 2.240 8.343 1.00 0.45 H new ATOM 0 HG2 GLN A 38 5.392 1.272 9.885 1.00 0.93 H new ATOM 0 HG3 GLN A 38 6.283 -0.236 9.936 1.00 0.93 H new ATOM 0 HE21 GLN A 38 6.602 -0.174 12.161 1.00 2.12 H new ATOM 0 HE22 GLN A 38 7.709 0.973 12.923 1.00 2.12 H new ATOM 618 N LEU A 39 4.550 -1.156 7.252 1.00 0.43 N ATOM 619 CA LEU A 39 3.200 -1.681 7.357 1.00 0.46 C ATOM 620 C LEU A 39 3.015 -2.479 8.634 1.00 0.55 C ATOM 621 O LEU A 39 3.475 -3.616 8.740 1.00 0.77 O ATOM 622 CB LEU A 39 2.890 -2.559 6.141 1.00 0.61 C ATOM 623 CG LEU A 39 2.446 -1.798 4.897 1.00 1.05 C ATOM 624 CD1 LEU A 39 2.404 -2.721 3.690 1.00 1.75 C ATOM 625 CD2 LEU A 39 1.081 -1.178 5.141 1.00 1.45 C ATOM 0 H LEU A 39 5.238 -1.836 6.930 1.00 0.43 H new ATOM 0 HA LEU A 39 2.509 -0.839 7.385 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.778 -3.141 5.895 1.00 0.61 H new ATOM 0 HB3 LEU A 39 2.109 -3.269 6.413 1.00 0.61 H new ATOM 0 HG LEU A 39 3.166 -1.006 4.690 1.00 1.05 H new ATOM 0 HD11 LEU A 39 2.085 -2.158 2.813 1.00 1.75 H new ATOM 0 HD12 LEU A 39 3.397 -3.135 3.514 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.700 -3.532 3.877 1.00 1.75 H new ATOM 0 HD21 LEU A 39 0.764 -0.634 4.251 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.359 -1.964 5.362 1.00 1.45 H new ATOM 0 HD23 LEU A 39 1.139 -0.491 5.985 1.00 1.45 H new ATOM 637 N SER A 40 2.372 -1.869 9.607 1.00 0.46 N ATOM 638 CA SER A 40 2.083 -2.535 10.860 1.00 0.56 C ATOM 639 C SER A 40 0.595 -2.822 10.986 1.00 0.42 C ATOM 640 O SER A 40 -0.223 -2.290 10.237 1.00 0.37 O ATOM 641 CB SER A 40 2.573 -1.676 12.034 1.00 0.71 C ATOM 642 OG SER A 40 2.109 -0.339 11.928 1.00 1.38 O ATOM 0 H SER A 40 2.038 -0.907 9.554 1.00 0.46 H new ATOM 0 HA SER A 40 2.611 -3.489 10.880 1.00 0.56 H new ATOM 0 HB2 SER A 40 2.227 -2.109 12.973 1.00 0.71 H new ATOM 0 HB3 SER A 40 3.663 -1.683 12.062 1.00 0.71 H new ATOM 0 HG SER A 40 2.073 0.066 12.819 1.00 1.38 H new ATOM 648 N ALA A 41 0.248 -3.656 11.945 1.00 0.56 N ATOM 649 CA ALA A 41 -1.139 -3.878 12.289 1.00 0.56 C ATOM 650 C ALA A 41 -1.355 -3.348 13.691 1.00 0.64 C ATOM 651 O ALA A 41 -1.017 -4.002 14.684 1.00 0.84 O ATOM 652 CB ALA A 41 -1.495 -5.357 12.181 1.00 0.89 C ATOM 0 H ALA A 41 0.913 -4.193 12.502 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.795 -3.353 11.595 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.543 -5.499 12.445 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.328 -5.698 11.159 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -0.868 -5.933 12.862 1.00 0.89 H new ATOM 658 N GLU A 42 -1.899 -2.147 13.760 1.00 0.92 N ATOM 659 CA GLU A 42 -1.852 -1.363 14.975 1.00 1.34 C ATOM 660 C GLU A 42 -3.087 -1.582 15.825 1.00 1.34 C ATOM 661 O GLU A 42 -2.990 -1.808 17.035 1.00 1.64 O ATOM 662 CB GLU A 42 -1.686 0.114 14.633 1.00 1.88 C ATOM 663 CG GLU A 42 -0.606 0.782 15.465 1.00 2.46 C ATOM 664 CD GLU A 42 0.755 0.132 15.275 1.00 2.62 C ATOM 665 OE1 GLU A 42 1.073 -0.826 16.009 1.00 2.70 O ATOM 666 OE2 GLU A 42 1.521 0.578 14.389 1.00 3.12 O ATOM 0 H GLU A 42 -2.380 -1.694 12.983 1.00 0.92 H new ATOM 0 HA GLU A 42 -0.993 -1.691 15.560 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -1.441 0.214 13.576 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.633 0.630 14.791 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -0.543 1.836 15.196 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.883 0.738 16.518 1.00 2.46 H new ATOM 673 N SER A 43 -4.247 -1.502 15.206 1.00 1.09 N ATOM 674 CA SER A 43 -5.470 -1.772 15.914 1.00 1.14 C ATOM 675 C SER A 43 -6.051 -3.060 15.371 1.00 1.00 C ATOM 676 O SER A 43 -5.667 -3.506 14.286 1.00 1.09 O ATOM 677 CB SER A 43 -6.456 -0.608 15.785 1.00 1.24 C ATOM 678 OG SER A 43 -5.824 0.640 16.021 1.00 1.59 O ATOM 0 H SER A 43 -4.363 -1.254 14.223 1.00 1.09 H new ATOM 0 HA SER A 43 -5.267 -1.883 16.979 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.895 -0.611 14.787 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.273 -0.742 16.494 1.00 1.24 H new ATOM 0 HG SER A 43 -6.481 1.362 15.929 1.00 1.59 H new ATOM 684 N VAL A 44 -6.937 -3.681 16.122 1.00 0.92 N ATOM 685 CA VAL A 44 -7.477 -4.961 15.711 1.00 0.91 C ATOM 686 C VAL A 44 -8.188 -4.817 14.373 1.00 0.77 C ATOM 687 O VAL A 44 -9.141 -4.051 14.238 1.00 0.79 O ATOM 688 CB VAL A 44 -8.455 -5.546 16.755 1.00 1.07 C ATOM 689 CG1 VAL A 44 -8.960 -6.912 16.318 1.00 1.85 C ATOM 690 CG2 VAL A 44 -7.798 -5.640 18.119 1.00 1.83 C ATOM 0 H VAL A 44 -7.295 -3.326 17.009 1.00 0.92 H new ATOM 0 HA VAL A 44 -6.639 -5.652 15.619 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.307 -4.870 16.829 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -9.647 -7.303 17.069 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -9.479 -6.820 15.364 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -8.117 -7.593 16.207 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -8.506 -6.055 18.836 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -6.923 -6.287 18.058 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -7.492 -4.646 18.445 1.00 1.83 H new ATOM 700 N GLY A 45 -7.673 -5.514 13.380 1.00 0.73 N ATOM 701 CA GLY A 45 -8.309 -5.543 12.083 1.00 0.67 C ATOM 702 C GLY A 45 -7.759 -4.498 11.133 1.00 0.54 C ATOM 703 O GLY A 45 -7.758 -4.702 9.916 1.00 0.56 O ATOM 0 H GLY A 45 -6.818 -6.066 13.448 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.179 -6.531 11.642 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.381 -5.387 12.206 1.00 0.67 H new ATOM 707 N GLU A 46 -7.272 -3.383 11.671 1.00 0.56 N ATOM 708 CA GLU A 46 -6.784 -2.310 10.821 1.00 0.50 C ATOM 709 C GLU A 46 -5.267 -2.275 10.725 1.00 0.40 C ATOM 710 O GLU A 46 -4.547 -2.546 11.682 1.00 0.48 O ATOM 711 CB GLU A 46 -7.368 -0.955 11.230 1.00 0.75 C ATOM 712 CG GLU A 46 -7.709 -0.830 12.702 1.00 1.02 C ATOM 713 CD GLU A 46 -8.670 0.314 12.973 1.00 1.35 C ATOM 714 OE1 GLU A 46 -9.889 0.125 12.768 1.00 1.80 O ATOM 715 OE2 GLU A 46 -8.219 1.403 13.391 1.00 1.67 O ATOM 0 H GLU A 46 -7.207 -3.204 12.673 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.142 -2.526 9.814 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -6.655 -0.173 10.969 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -8.270 -0.772 10.645 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -8.150 -1.763 13.052 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -6.794 -0.676 13.274 1.00 1.02 H new ATOM 722 N VAL A 47 -4.805 -1.970 9.527 1.00 0.33 N ATOM 723 CA VAL A 47 -3.389 -1.933 9.207 1.00 0.33 C ATOM 724 C VAL A 47 -2.979 -0.535 8.805 1.00 0.33 C ATOM 725 O VAL A 47 -3.748 0.198 8.175 1.00 0.36 O ATOM 726 CB VAL A 47 -2.997 -2.917 8.095 1.00 0.40 C ATOM 727 CG1 VAL A 47 -2.887 -4.330 8.644 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.999 -2.859 6.955 1.00 0.48 C ATOM 0 H VAL A 47 -5.409 -1.738 8.739 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.862 -2.237 10.111 1.00 0.33 H new ATOM 0 HB VAL A 47 -2.021 -2.626 7.707 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.608 -5.012 7.841 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.127 -4.359 9.424 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -3.847 -4.634 9.061 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.705 -3.563 6.176 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.989 -3.122 7.327 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -4.023 -1.850 6.542 1.00 0.48 H new ATOM 738 N TYR A 48 -1.777 -0.162 9.178 1.00 0.34 N ATOM 739 CA TYR A 48 -1.349 1.211 9.055 1.00 0.36 C ATOM 740 C TYR A 48 -0.182 1.318 8.084 1.00 0.38 C ATOM 741 O TYR A 48 0.844 0.656 8.241 1.00 0.39 O ATOM 742 CB TYR A 48 -0.959 1.737 10.441 1.00 0.41 C ATOM 743 CG TYR A 48 -0.583 3.203 10.484 1.00 0.55 C ATOM 744 CD1 TYR A 48 -1.302 4.137 9.753 1.00 0.91 C ATOM 745 CD2 TYR A 48 0.493 3.648 11.242 1.00 1.47 C ATOM 746 CE1 TYR A 48 -0.961 5.474 9.775 1.00 1.00 C ATOM 747 CE2 TYR A 48 0.836 4.985 11.270 1.00 1.79 C ATOM 748 CZ TYR A 48 0.107 5.891 10.591 1.00 1.23 C ATOM 749 OH TYR A 48 0.447 7.223 10.552 1.00 1.60 O ATOM 0 H TYR A 48 -1.077 -0.792 9.570 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.165 1.816 8.660 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.792 1.570 11.124 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -0.119 1.150 10.813 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -2.142 3.813 9.157 1.00 0.91 H new ATOM 0 HD2 TYR A 48 1.069 2.938 11.817 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -1.505 6.189 9.176 1.00 1.00 H new ATOM 0 HE2 TYR A 48 1.695 5.306 11.840 1.00 1.79 H new ATOM 0 HH TYR A 48 -0.266 7.730 10.110 1.00 1.60 H new ATOM 759 N ILE A 49 -0.369 2.150 7.073 1.00 0.42 N ATOM 760 CA ILE A 49 0.643 2.380 6.059 1.00 0.44 C ATOM 761 C ILE A 49 1.371 3.667 6.385 1.00 0.42 C ATOM 762 O ILE A 49 0.862 4.760 6.134 1.00 0.52 O ATOM 763 CB ILE A 49 0.025 2.503 4.647 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.970 1.365 4.390 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.124 2.504 3.591 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.627 1.422 3.027 1.00 1.20 C ATOM 0 H ILE A 49 -1.227 2.684 6.933 1.00 0.42 H new ATOM 0 HA ILE A 49 1.324 1.529 6.058 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.517 3.447 4.586 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.452 0.412 4.493 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.744 1.392 5.157 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.677 2.591 2.601 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.793 3.347 3.763 1.00 0.58 H new ATOM 0 HG23 ILE A 49 1.689 1.574 3.653 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -2.317 0.585 2.920 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -2.175 2.359 2.926 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -0.863 1.364 2.252 1.00 1.20 H new ATOM 778 N LYS A 50 2.548 3.548 6.954 1.00 0.36 N ATOM 779 CA LYS A 50 3.252 4.718 7.414 1.00 0.37 C ATOM 780 C LYS A 50 4.587 4.860 6.716 1.00 0.35 C ATOM 781 O LYS A 50 5.225 3.878 6.333 1.00 0.36 O ATOM 782 CB LYS A 50 3.423 4.687 8.940 1.00 0.44 C ATOM 783 CG LYS A 50 4.179 3.478 9.460 1.00 0.93 C ATOM 784 CD LYS A 50 4.112 3.370 10.977 1.00 0.88 C ATOM 785 CE LYS A 50 4.760 4.560 11.664 1.00 1.35 C ATOM 786 NZ LYS A 50 4.697 4.443 13.145 1.00 1.86 N ATOM 0 H LYS A 50 3.032 2.663 7.107 1.00 0.36 H new ATOM 0 HA LYS A 50 2.653 5.593 7.161 1.00 0.37 H new ATOM 0 HB2 LYS A 50 3.946 5.590 9.254 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.437 4.712 9.405 1.00 0.44 H new ATOM 0 HG2 LYS A 50 3.766 2.573 9.014 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.221 3.540 9.147 1.00 0.93 H new ATOM 0 HD2 LYS A 50 3.070 3.295 11.289 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.607 2.453 11.297 1.00 0.88 H new ATOM 0 HE2 LYS A 50 5.801 4.639 11.349 1.00 1.35 H new ATOM 0 HE3 LYS A 50 4.261 5.477 11.350 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 5.149 5.273 13.578 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 3.703 4.393 13.447 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 5.195 3.581 13.447 1.00 1.86 H new ATOM 800 N SER A 51 4.994 6.096 6.558 1.00 0.40 N ATOM 801 CA SER A 51 6.264 6.417 6.004 1.00 0.39 C ATOM 802 C SER A 51 7.296 6.313 7.088 1.00 0.39 C ATOM 803 O SER A 51 7.136 6.880 8.169 1.00 0.48 O ATOM 804 CB SER A 51 6.214 7.866 5.509 1.00 0.48 C ATOM 805 OG SER A 51 7.409 8.237 4.849 1.00 1.10 O ATOM 0 H SER A 51 4.437 6.910 6.818 1.00 0.40 H new ATOM 0 HA SER A 51 6.511 5.741 5.185 1.00 0.39 H new ATOM 0 HB2 SER A 51 5.370 7.989 4.830 1.00 0.48 H new ATOM 0 HB3 SER A 51 6.043 8.533 6.354 1.00 0.48 H new ATOM 0 HG SER A 51 7.195 8.810 4.083 1.00 1.10 H new ATOM 811 N THR A 52 8.341 5.563 6.809 1.00 0.35 N ATOM 812 CA THR A 52 9.488 5.598 7.663 1.00 0.41 C ATOM 813 C THR A 52 10.259 6.844 7.307 1.00 0.45 C ATOM 814 O THR A 52 9.906 7.942 7.742 1.00 0.53 O ATOM 815 CB THR A 52 10.370 4.350 7.532 1.00 0.43 C ATOM 816 OG1 THR A 52 10.578 4.035 6.150 1.00 0.62 O ATOM 817 CG2 THR A 52 9.740 3.171 8.250 1.00 0.77 C ATOM 0 H THR A 52 8.412 4.934 6.009 1.00 0.35 H new ATOM 0 HA THR A 52 9.166 5.611 8.704 1.00 0.41 H new ATOM 0 HB THR A 52 11.334 4.559 7.995 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.744 3.695 5.763 1.00 0.62 H new ATOM 0 HG21 THR A 52 10.381 2.296 8.145 1.00 0.77 H new ATOM 0 HG22 THR A 52 9.622 3.410 9.307 1.00 0.77 H new ATOM 0 HG23 THR A 52 8.763 2.959 7.815 1.00 0.77 H new ATOM 825 N GLU A 53 11.296 6.711 6.525 1.00 0.46 N ATOM 826 CA GLU A 53 11.980 7.913 6.081 1.00 0.53 C ATOM 827 C GLU A 53 11.359 8.431 4.786 1.00 0.44 C ATOM 828 O GLU A 53 10.976 9.598 4.685 1.00 0.47 O ATOM 829 CB GLU A 53 13.471 7.636 5.852 1.00 0.68 C ATOM 830 CG GLU A 53 14.306 7.557 7.124 1.00 1.43 C ATOM 831 CD GLU A 53 13.889 6.441 8.059 1.00 1.83 C ATOM 832 OE1 GLU A 53 14.176 5.264 7.744 1.00 2.55 O ATOM 833 OE2 GLU A 53 13.251 6.729 9.090 1.00 2.11 O ATOM 0 H GLU A 53 11.679 5.827 6.189 1.00 0.46 H new ATOM 0 HA GLU A 53 11.873 8.667 6.861 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.573 6.697 5.308 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.879 8.420 5.214 1.00 0.68 H new ATOM 0 HG2 GLU A 53 15.353 7.419 6.853 1.00 1.43 H new ATOM 0 HG3 GLU A 53 14.236 8.507 7.653 1.00 1.43 H new ATOM 840 N THR A 54 11.238 7.541 3.816 1.00 0.36 N ATOM 841 CA THR A 54 10.662 7.859 2.516 1.00 0.30 C ATOM 842 C THR A 54 9.382 7.086 2.189 1.00 0.31 C ATOM 843 O THR A 54 9.081 6.915 1.016 1.00 0.38 O ATOM 844 CB THR A 54 11.689 7.610 1.409 1.00 0.40 C ATOM 845 OG1 THR A 54 12.307 6.337 1.616 1.00 1.13 O ATOM 846 CG2 THR A 54 12.748 8.702 1.391 1.00 0.93 C ATOM 0 H THR A 54 11.538 6.570 3.907 1.00 0.36 H new ATOM 0 HA THR A 54 10.388 8.913 2.569 1.00 0.30 H new ATOM 0 HB THR A 54 11.176 7.621 0.448 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.223 6.358 1.269 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.465 8.500 0.595 1.00 0.93 H new ATOM 0 HG22 THR A 54 12.273 9.667 1.215 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.266 8.722 2.350 1.00 0.93 H new ATOM 854 N GLY A 55 8.649 6.561 3.157 1.00 0.33 N ATOM 855 CA GLY A 55 7.858 5.400 2.808 1.00 0.40 C ATOM 856 C GLY A 55 6.446 5.631 2.328 1.00 0.46 C ATOM 857 O GLY A 55 5.949 4.761 1.623 1.00 0.56 O ATOM 0 H GLY A 55 8.585 6.891 4.120 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.391 4.853 2.031 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.813 4.750 3.682 1.00 0.40 H new ATOM 861 N GLN A 56 5.810 6.754 2.692 1.00 0.43 N ATOM 862 CA GLN A 56 4.629 7.281 1.977 1.00 0.54 C ATOM 863 C GLN A 56 3.693 8.091 2.875 1.00 0.56 C ATOM 864 O GLN A 56 3.424 7.719 4.016 1.00 0.63 O ATOM 865 CB GLN A 56 3.806 6.200 1.272 1.00 0.81 C ATOM 866 CG GLN A 56 2.561 6.733 0.615 1.00 0.91 C ATOM 867 CD GLN A 56 2.808 7.880 -0.348 1.00 1.20 C ATOM 868 OE1 GLN A 56 3.787 8.612 -0.251 1.00 2.18 O ATOM 869 NE2 GLN A 56 1.885 8.088 -1.249 1.00 1.06 N ATOM 0 H GLN A 56 6.096 7.324 3.488 1.00 0.43 H new ATOM 0 HA GLN A 56 5.062 7.939 1.223 1.00 0.54 H new ATOM 0 HB2 GLN A 56 4.426 5.714 0.519 1.00 0.81 H new ATOM 0 HB3 GLN A 56 3.527 5.435 1.997 1.00 0.81 H new ATOM 0 HG2 GLN A 56 2.071 5.921 0.077 1.00 0.91 H new ATOM 0 HG3 GLN A 56 1.869 7.066 1.389 1.00 0.91 H new ATOM 0 HE21 GLN A 56 1.080 7.464 -1.308 1.00 1.06 H new ATOM 0 HE22 GLN A 56 1.969 8.874 -1.893 1.00 1.06 H new ATOM 878 N TYR A 57 3.126 9.150 2.313 1.00 0.57 N ATOM 879 CA TYR A 57 2.071 9.892 2.977 1.00 0.62 C ATOM 880 C TYR A 57 0.753 9.514 2.356 1.00 0.59 C ATOM 881 O TYR A 57 0.060 10.332 1.774 1.00 0.67 O ATOM 882 CB TYR A 57 2.327 11.398 2.891 1.00 0.76 C ATOM 883 CG TYR A 57 1.169 12.294 3.292 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.549 12.167 4.529 1.00 2.17 C ATOM 885 CD2 TYR A 57 0.702 13.272 2.424 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.502 12.987 4.886 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.348 14.095 2.773 1.00 3.64 C ATOM 888 CZ TYR A 57 -0.946 13.949 4.004 1.00 3.91 C ATOM 889 OH TYR A 57 -1.990 14.769 4.355 1.00 4.98 O ATOM 0 H TYR A 57 3.383 9.513 1.395 1.00 0.57 H new ATOM 0 HA TYR A 57 2.049 9.638 4.037 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.182 11.638 3.523 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.610 11.640 1.867 1.00 0.76 H new ATOM 0 HD1 TYR A 57 0.895 11.415 5.222 1.00 2.17 H new ATOM 0 HD2 TYR A 57 1.170 13.390 1.458 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -0.974 12.876 5.851 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -0.699 14.850 2.085 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.178 15.392 3.622 1.00 4.98 H new ATOM 899 N LEU A 58 0.391 8.267 2.506 1.00 0.55 N ATOM 900 CA LEU A 58 -0.761 7.764 1.799 1.00 0.58 C ATOM 901 C LEU A 58 -2.037 8.237 2.407 1.00 0.56 C ATOM 902 O LEU A 58 -2.623 7.654 3.309 1.00 0.72 O ATOM 903 CB LEU A 58 -0.729 6.266 1.650 1.00 0.70 C ATOM 904 CG LEU A 58 -0.376 5.886 0.236 1.00 1.32 C ATOM 905 CD1 LEU A 58 0.217 4.485 0.171 1.00 1.59 C ATOM 906 CD2 LEU A 58 -1.593 5.984 -0.651 1.00 1.85 C ATOM 0 H LEU A 58 0.867 7.589 3.101 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.716 8.178 0.792 1.00 0.58 H new ATOM 0 HB2 LEU A 58 -0.000 5.841 2.340 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.700 5.847 1.914 1.00 0.70 H new ATOM 0 HG LEU A 58 0.380 6.585 -0.122 1.00 1.32 H new ATOM 0 HD11 LEU A 58 0.461 4.241 -0.863 1.00 1.59 H new ATOM 0 HD12 LEU A 58 1.122 4.445 0.777 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.507 3.765 0.553 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -1.324 5.707 -1.670 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.366 5.309 -0.284 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -1.969 7.007 -0.641 1.00 1.85 H new ATOM 918 N ALA A 59 -2.451 9.307 1.812 1.00 0.47 N ATOM 919 CA ALA A 59 -3.603 10.056 2.224 1.00 0.46 C ATOM 920 C ALA A 59 -4.757 9.689 1.322 1.00 0.46 C ATOM 921 O ALA A 59 -4.789 10.070 0.148 1.00 0.51 O ATOM 922 CB ALA A 59 -3.295 11.547 2.163 1.00 0.54 C ATOM 0 H ALA A 59 -1.983 9.702 0.996 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.871 9.818 3.253 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.172 12.113 2.477 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.461 11.774 2.827 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -3.031 11.823 1.142 1.00 0.54 H new ATOM 928 N MET A 60 -5.687 8.926 1.853 1.00 0.48 N ATOM 929 CA MET A 60 -6.780 8.429 1.049 1.00 0.52 C ATOM 930 C MET A 60 -7.879 9.474 0.946 1.00 0.55 C ATOM 931 O MET A 60 -8.413 9.930 1.959 1.00 0.74 O ATOM 932 CB MET A 60 -7.333 7.168 1.701 1.00 0.66 C ATOM 933 CG MET A 60 -8.118 6.283 0.764 1.00 1.76 C ATOM 934 SD MET A 60 -7.093 5.634 -0.562 1.00 2.80 S ATOM 935 CE MET A 60 -8.116 4.286 -1.109 1.00 3.74 C ATOM 0 H MET A 60 -5.708 8.638 2.831 1.00 0.48 H new ATOM 0 HA MET A 60 -6.419 8.206 0.045 1.00 0.52 H new ATOM 0 HB2 MET A 60 -6.505 6.594 2.117 1.00 0.66 H new ATOM 0 HB3 MET A 60 -7.974 7.454 2.535 1.00 0.66 H new ATOM 0 HG2 MET A 60 -8.553 5.456 1.325 1.00 1.76 H new ATOM 0 HG3 MET A 60 -8.946 6.849 0.338 1.00 1.76 H new ATOM 0 HE1 MET A 60 -7.853 4.022 -2.133 1.00 3.74 H new ATOM 0 HE2 MET A 60 -7.960 3.424 -0.460 1.00 3.74 H new ATOM 0 HE3 MET A 60 -9.164 4.585 -1.069 1.00 3.74 H new ATOM 945 N ASP A 61 -8.225 9.848 -0.281 1.00 0.51 N ATOM 946 CA ASP A 61 -9.182 10.917 -0.495 1.00 0.56 C ATOM 947 C ASP A 61 -10.421 10.370 -1.141 1.00 0.56 C ATOM 948 O ASP A 61 -10.353 9.582 -2.094 1.00 0.64 O ATOM 949 CB ASP A 61 -8.630 12.022 -1.374 1.00 0.71 C ATOM 950 CG ASP A 61 -9.559 13.215 -1.426 1.00 1.02 C ATOM 951 OD1 ASP A 61 -9.532 14.037 -0.483 1.00 1.58 O ATOM 952 OD2 ASP A 61 -10.308 13.350 -2.415 1.00 1.34 O ATOM 0 H ASP A 61 -7.858 9.427 -1.135 1.00 0.51 H new ATOM 0 HA ASP A 61 -9.407 11.340 0.484 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.657 12.335 -0.996 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -8.472 11.640 -2.383 1.00 0.71 H new ATOM 957 N THR A 62 -11.547 10.767 -0.595 1.00 0.65 N ATOM 958 CA THR A 62 -12.847 10.261 -0.985 1.00 0.83 C ATOM 959 C THR A 62 -12.972 8.788 -0.596 1.00 0.87 C ATOM 960 O THR A 62 -14.075 8.285 -0.405 1.00 1.31 O ATOM 961 CB THR A 62 -13.082 10.450 -2.487 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.791 11.806 -2.856 1.00 1.47 O ATOM 963 CG2 THR A 62 -14.519 10.122 -2.845 1.00 1.55 C ATOM 0 H THR A 62 -11.588 11.465 0.148 1.00 0.65 H new ATOM 0 HA THR A 62 -13.613 10.829 -0.457 1.00 0.83 H new ATOM 0 HB THR A 62 -12.422 9.774 -3.031 1.00 0.97 H new ATOM 0 HG1 THR A 62 -11.829 11.970 -2.765 1.00 1.47 H new ATOM 0 HG21 THR A 62 -14.668 10.262 -3.916 1.00 1.55 H new ATOM 0 HG22 THR A 62 -14.732 9.086 -2.581 1.00 1.55 H new ATOM 0 HG23 THR A 62 -15.191 10.782 -2.296 1.00 1.55 H new ATOM 971 N ASP A 63 -11.809 8.132 -0.535 1.00 0.78 N ATOM 972 CA ASP A 63 -11.610 6.795 0.013 1.00 0.88 C ATOM 973 C ASP A 63 -11.512 5.854 -1.148 1.00 0.87 C ATOM 974 O ASP A 63 -11.436 4.635 -1.021 1.00 0.96 O ATOM 975 CB ASP A 63 -12.701 6.411 1.003 1.00 1.05 C ATOM 976 CG ASP A 63 -12.515 5.042 1.599 1.00 1.19 C ATOM 977 OD1 ASP A 63 -11.418 4.779 2.125 1.00 1.54 O ATOM 978 OD2 ASP A 63 -13.444 4.215 1.499 1.00 1.42 O ATOM 0 H ASP A 63 -10.943 8.542 -0.884 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.691 6.753 0.597 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -12.728 7.148 1.806 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.667 6.452 0.501 1.00 1.05 H new ATOM 983 N GLY A 64 -11.447 6.481 -2.300 1.00 0.82 N ATOM 984 CA GLY A 64 -11.304 5.770 -3.518 1.00 0.89 C ATOM 985 C GLY A 64 -9.860 5.735 -3.884 1.00 0.90 C ATOM 986 O GLY A 64 -9.226 4.696 -3.800 1.00 1.17 O ATOM 0 H GLY A 64 -11.493 7.495 -2.403 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.692 4.757 -3.412 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.882 6.251 -4.307 1.00 0.89 H new ATOM 990 N LEU A 65 -9.318 6.888 -4.225 1.00 0.72 N ATOM 991 CA LEU A 65 -7.939 6.964 -4.648 1.00 0.71 C ATOM 992 C LEU A 65 -7.123 7.811 -3.683 1.00 0.67 C ATOM 993 O LEU A 65 -7.665 8.490 -2.810 1.00 0.79 O ATOM 994 CB LEU A 65 -7.871 7.454 -6.092 1.00 0.74 C ATOM 995 CG LEU A 65 -7.730 8.967 -6.310 1.00 1.41 C ATOM 996 CD1 LEU A 65 -6.272 9.367 -6.491 1.00 2.03 C ATOM 997 CD2 LEU A 65 -8.551 9.399 -7.515 1.00 2.04 C ATOM 0 H LEU A 65 -9.812 7.780 -4.217 1.00 0.72 H new ATOM 0 HA LEU A 65 -7.489 5.971 -4.625 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.028 6.962 -6.577 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -8.773 7.121 -6.605 1.00 0.74 H new ATOM 0 HG LEU A 65 -8.106 9.474 -5.421 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -6.206 10.444 -6.643 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -5.706 9.091 -5.601 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -5.858 8.852 -7.358 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -8.444 10.474 -7.661 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -8.197 8.875 -8.403 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -9.600 9.158 -7.345 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.821 7.759 -3.856 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.889 8.165 -2.826 1.00 0.68 C ATOM 1011 C LEU A 66 -3.741 8.981 -3.374 1.00 0.63 C ATOM 1012 O LEU A 66 -3.182 8.671 -4.429 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.329 6.920 -2.157 1.00 0.90 C ATOM 1014 CG LEU A 66 -4.550 5.616 -2.935 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -3.836 5.606 -4.293 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -4.110 4.433 -2.099 1.00 1.56 C ATOM 0 H LEU A 66 -5.378 7.434 -4.715 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.430 8.791 -2.117 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.259 7.058 -2.003 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -4.782 6.819 -1.171 1.00 0.90 H new ATOM 0 HG LEU A 66 -5.618 5.543 -3.142 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -4.028 4.659 -4.798 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -4.209 6.427 -4.906 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -2.763 5.725 -4.141 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -4.271 3.512 -2.659 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -3.052 4.531 -1.858 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -4.691 4.403 -1.177 1.00 1.56 H new ATOM 1028 N TYR A 67 -3.389 10.019 -2.652 1.00 0.62 N ATOM 1029 CA TYR A 67 -2.191 10.775 -2.989 1.00 0.63 C ATOM 1030 C TYR A 67 -1.322 10.871 -1.755 1.00 0.70 C ATOM 1031 O TYR A 67 -1.845 11.018 -0.666 1.00 0.98 O ATOM 1032 CB TYR A 67 -2.575 12.172 -3.504 1.00 0.91 C ATOM 1033 CG TYR A 67 -3.239 13.062 -2.468 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -4.564 12.862 -2.101 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -2.542 14.103 -1.863 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -5.174 13.670 -1.160 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -3.146 14.915 -0.921 1.00 1.16 C ATOM 1038 CZ TYR A 67 -4.451 14.694 -0.566 1.00 1.21 C ATOM 1039 OH TYR A 67 -5.070 15.502 0.363 1.00 1.64 O ATOM 0 H TYR A 67 -3.901 10.361 -1.839 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.637 10.271 -3.781 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -1.678 12.670 -3.871 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -3.248 12.060 -4.354 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -5.127 12.062 -2.559 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -1.512 14.280 -2.134 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -6.206 13.505 -0.889 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -2.591 15.722 -0.466 1.00 1.16 H new ATOM 0 HH TYR A 67 -4.434 16.172 0.690 1.00 1.64 H new ATOM 1049 N GLY A 68 -0.009 10.860 -1.907 1.00 0.66 N ATOM 1050 CA GLY A 68 0.826 10.877 -0.726 1.00 0.80 C ATOM 1051 C GLY A 68 2.268 11.193 -0.984 1.00 0.81 C ATOM 1052 O GLY A 68 2.818 10.771 -1.997 1.00 0.85 O ATOM 0 H GLY A 68 0.484 10.840 -2.800 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.427 11.611 -0.026 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.763 9.904 -0.239 1.00 0.80 H new ATOM 1056 N SER A 69 2.890 11.927 -0.080 1.00 0.91 N ATOM 1057 CA SER A 69 4.354 11.996 -0.104 1.00 1.08 C ATOM 1058 C SER A 69 5.045 12.181 1.271 1.00 1.38 C ATOM 1059 O SER A 69 5.912 11.398 1.643 1.00 1.62 O ATOM 1060 CB SER A 69 4.783 13.134 -1.026 1.00 1.08 C ATOM 1061 OG SER A 69 6.172 13.091 -1.301 1.00 1.39 O ATOM 0 H SER A 69 2.434 12.467 0.656 1.00 0.91 H new ATOM 0 HA SER A 69 4.679 11.019 -0.462 1.00 1.08 H new ATOM 0 HB2 SER A 69 4.225 13.075 -1.961 1.00 1.08 H new ATOM 0 HB3 SER A 69 4.533 14.090 -0.565 1.00 1.08 H new ATOM 0 HG SER A 69 6.323 12.629 -2.152 1.00 1.39 H new ATOM 1067 N GLN A 70 4.633 13.191 2.028 1.00 1.49 N ATOM 1068 CA GLN A 70 5.463 13.692 3.150 1.00 1.85 C ATOM 1069 C GLN A 70 5.343 12.959 4.507 1.00 1.93 C ATOM 1070 O GLN A 70 6.347 12.720 5.175 1.00 2.19 O ATOM 1071 CB GLN A 70 5.181 15.181 3.368 1.00 2.07 C ATOM 1072 CG GLN A 70 3.705 15.550 3.312 1.00 2.63 C ATOM 1073 CD GLN A 70 3.450 17.006 3.664 1.00 3.22 C ATOM 1074 OE1 GLN A 70 4.184 17.607 4.449 1.00 3.66 O ATOM 1075 NE2 GLN A 70 2.409 17.583 3.083 1.00 3.79 N ATOM 0 H GLN A 70 3.748 13.681 1.900 1.00 1.49 H new ATOM 0 HA GLN A 70 6.484 13.492 2.823 1.00 1.85 H new ATOM 0 HB2 GLN A 70 5.582 15.477 4.337 1.00 2.07 H new ATOM 0 HB3 GLN A 70 5.717 15.755 2.612 1.00 2.07 H new ATOM 0 HG2 GLN A 70 3.323 15.350 2.311 1.00 2.63 H new ATOM 0 HG3 GLN A 70 3.149 14.912 3.999 1.00 2.63 H new ATOM 0 HE21 GLN A 70 1.825 17.051 2.438 1.00 3.79 H new ATOM 0 HE22 GLN A 70 2.191 18.560 3.280 1.00 3.79 H new ATOM 1084 N THR A 71 4.134 12.613 4.905 1.00 1.75 N ATOM 1085 CA THR A 71 3.846 12.266 6.322 1.00 1.78 C ATOM 1086 C THR A 71 3.120 10.909 6.449 1.00 1.56 C ATOM 1087 O THR A 71 2.820 10.294 5.460 1.00 1.63 O ATOM 1088 CB THR A 71 2.968 13.395 6.925 1.00 1.94 C ATOM 1089 OG1 THR A 71 3.341 14.646 6.332 1.00 2.26 O ATOM 1090 CG2 THR A 71 3.129 13.521 8.433 1.00 2.31 C ATOM 0 H THR A 71 3.325 12.559 4.286 1.00 1.75 H new ATOM 0 HA THR A 71 4.789 12.174 6.862 1.00 1.78 H new ATOM 0 HB THR A 71 1.929 13.141 6.714 1.00 1.94 H new ATOM 0 HG1 THR A 71 2.789 15.363 6.707 1.00 2.26 H new ATOM 0 HG21 THR A 71 2.492 14.326 8.801 1.00 2.31 H new ATOM 0 HG22 THR A 71 2.841 12.584 8.909 1.00 2.31 H new ATOM 0 HG23 THR A 71 4.169 13.744 8.670 1.00 2.31 H new ATOM 1098 N PRO A 72 2.868 10.378 7.659 1.00 1.41 N ATOM 1099 CA PRO A 72 1.858 9.348 7.837 1.00 1.20 C ATOM 1100 C PRO A 72 0.700 9.815 8.726 1.00 1.04 C ATOM 1101 O PRO A 72 0.852 9.994 9.937 1.00 1.06 O ATOM 1102 CB PRO A 72 2.660 8.278 8.565 1.00 1.31 C ATOM 1103 CG PRO A 72 3.705 9.038 9.353 1.00 1.49 C ATOM 1104 CD PRO A 72 3.676 10.481 8.872 1.00 1.53 C ATOM 0 HA PRO A 72 1.392 9.038 6.902 1.00 1.20 H new ATOM 0 HB2 PRO A 72 2.023 7.687 9.223 1.00 1.31 H new ATOM 0 HB3 PRO A 72 3.123 7.585 7.862 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.494 8.985 10.421 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.693 8.602 9.201 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.226 11.148 9.607 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.676 10.863 8.666 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.457 10.045 8.115 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.611 10.528 8.850 1.00 0.86 C ATOM 1114 C ASN A 73 -2.380 9.311 9.240 1.00 0.68 C ATOM 1115 O ASN A 73 -1.968 8.210 8.875 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.453 11.453 7.965 1.00 0.98 C ATOM 1117 CG ASN A 73 -1.949 12.883 7.960 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -0.787 13.152 8.270 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -2.809 13.809 7.573 1.00 2.17 N ATOM 0 H ASN A 73 -0.616 9.904 7.117 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.324 11.109 9.726 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -2.454 11.070 6.945 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -3.486 11.438 8.312 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -2.519 14.786 7.523 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -3.763 13.547 7.324 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.507 9.415 9.901 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.359 8.325 9.636 1.00 0.47 C ATOM 1128 C GLU A 74 -5.442 8.860 8.762 1.00 0.52 C ATOM 1129 O GLU A 74 -6.461 9.407 9.175 1.00 0.64 O ATOM 1130 CB GLU A 74 -4.924 7.761 10.933 1.00 0.49 C ATOM 1131 CG GLU A 74 -3.849 7.332 11.915 1.00 1.15 C ATOM 1132 CD GLU A 74 -4.335 7.376 13.342 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -4.738 8.468 13.791 1.00 1.84 O ATOM 1134 OE2 GLU A 74 -4.308 6.332 14.024 1.00 2.11 O ATOM 0 H GLU A 74 -3.815 10.146 10.542 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.830 7.506 9.149 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -5.558 8.513 11.403 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -5.560 6.906 10.704 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -3.522 6.320 11.675 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -2.980 7.982 11.808 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.148 8.594 7.527 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.020 8.506 6.398 1.00 0.52 C ATOM 1143 C GLU A 75 -5.563 7.288 5.624 1.00 0.40 C ATOM 1144 O GLU A 75 -6.256 6.774 4.748 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.880 9.772 5.578 1.00 0.69 C ATOM 1146 CG GLU A 75 -6.428 10.981 6.313 1.00 0.89 C ATOM 1147 CD GLU A 75 -5.909 12.305 5.801 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -6.294 12.711 4.688 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -5.133 12.959 6.532 1.00 2.16 O ATOM 0 H GLU A 75 -4.181 8.413 7.257 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.070 8.409 6.673 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.829 9.937 5.340 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.407 9.652 4.631 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -7.515 10.976 6.237 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -6.182 10.891 7.371 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.298 6.915 5.917 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.650 5.754 5.345 1.00 0.47 C ATOM 1158 C CYS A 76 -4.362 4.441 5.722 1.00 0.40 C ATOM 1159 O CYS A 76 -4.124 3.401 5.112 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.208 5.689 5.867 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.315 7.263 5.846 1.00 1.40 S ATOM 0 H CYS A 76 -3.706 7.430 6.568 1.00 0.37 H new ATOM 0 HA CYS A 76 -3.683 5.856 4.260 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -2.224 5.311 6.889 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.653 4.966 5.269 1.00 0.68 H new ATOM 0 HG CYS A 76 -1.649 7.937 4.786 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.240 4.505 6.722 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.755 3.314 7.389 1.00 0.46 C ATOM 1169 C LEU A 77 -6.785 2.585 6.550 1.00 0.39 C ATOM 1170 O LEU A 77 -7.796 3.166 6.133 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.387 3.681 8.735 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.411 4.040 9.854 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -6.176 4.458 11.099 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -4.504 2.861 10.166 1.00 1.59 C ATOM 0 H LEU A 77 -5.612 5.381 7.090 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.903 2.651 7.541 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -7.059 4.525 8.581 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -6.999 2.843 9.068 1.00 0.66 H new ATOM 0 HG LEU A 77 -4.792 4.874 9.523 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -5.471 4.712 11.891 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -6.795 5.326 10.872 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -6.812 3.636 11.429 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -3.815 3.134 10.965 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -5.108 2.011 10.482 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -3.937 2.592 9.275 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.536 1.307 6.327 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.502 0.461 5.667 1.00 0.39 C ATOM 1188 C PHE A 78 -7.670 -0.838 6.462 1.00 0.36 C ATOM 1189 O PHE A 78 -6.849 -1.155 7.326 1.00 0.41 O ATOM 1190 CB PHE A 78 -7.116 0.145 4.212 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.656 1.327 3.415 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -7.531 2.354 3.108 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -5.344 1.417 2.984 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -7.108 3.448 2.382 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.914 2.507 2.258 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.808 3.506 1.922 1.00 0.84 C ATOM 0 H PHE A 78 -5.672 0.836 6.595 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.446 1.005 5.632 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -6.324 -0.604 4.215 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.975 -0.301 3.711 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -8.557 2.298 3.441 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.649 0.624 3.219 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.792 4.257 2.174 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.881 2.580 1.952 1.00 0.78 H new ATOM 0 HZ PHE A 78 -5.490 4.330 1.301 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.743 -1.568 6.183 1.00 0.37 N ATOM 1207 CA LEU A 79 -9.050 -2.813 6.884 1.00 0.37 C ATOM 1208 C LEU A 79 -8.334 -3.965 6.209 1.00 0.35 C ATOM 1209 O LEU A 79 -8.305 -4.042 4.979 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.558 -3.075 6.890 1.00 0.44 C ATOM 1211 CG LEU A 79 -11.013 -4.293 7.695 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -10.872 -4.029 9.185 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -12.450 -4.653 7.348 1.00 1.09 C ATOM 0 H LEU A 79 -9.424 -1.316 5.467 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.711 -2.724 7.916 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -11.061 -2.192 7.285 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.892 -3.197 5.860 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.375 -5.138 7.435 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -11.200 -4.906 9.743 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -9.829 -3.819 9.420 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -11.486 -3.172 9.462 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -12.758 -5.522 7.930 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -13.102 -3.811 7.580 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -12.521 -4.884 6.285 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.768 -4.855 7.004 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.913 -5.897 6.472 1.00 0.42 C ATOM 1227 C GLU A 80 -7.707 -7.189 6.273 1.00 0.40 C ATOM 1228 O GLU A 80 -8.392 -7.675 7.176 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.730 -6.121 7.420 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.481 -6.680 6.752 1.00 0.97 C ATOM 1231 CD GLU A 80 -4.592 -8.143 6.392 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -4.562 -8.984 7.310 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -4.727 -8.451 5.187 1.00 2.07 O ATOM 0 H GLU A 80 -7.885 -4.876 8.017 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.530 -5.588 5.499 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.478 -5.173 7.896 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -6.039 -6.804 8.212 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -4.275 -6.107 5.848 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -3.630 -6.542 7.419 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.593 -7.723 5.071 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.344 -8.887 4.629 1.00 0.39 C ATOM 1242 C ARG A 81 -7.381 -9.943 4.097 1.00 0.48 C ATOM 1243 O ARG A 81 -6.627 -9.690 3.165 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.334 -8.466 3.533 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.119 -9.608 2.905 1.00 0.76 C ATOM 1246 CD ARG A 81 -11.096 -10.236 3.885 1.00 1.34 C ATOM 1247 NE ARG A 81 -11.985 -11.192 3.223 1.00 2.05 N ATOM 1248 CZ ARG A 81 -12.915 -11.908 3.855 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -13.069 -11.792 5.171 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -13.696 -12.735 3.167 1.00 3.75 N ATOM 0 H ARG A 81 -6.963 -7.353 4.359 1.00 0.38 H new ATOM 0 HA ARG A 81 -8.900 -9.309 5.466 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.038 -7.750 3.956 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -8.785 -7.947 2.747 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -10.664 -9.238 2.037 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -9.426 -10.369 2.546 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -10.543 -10.741 4.677 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -11.690 -9.454 4.359 1.00 1.34 H new ATOM 0 HE ARG A 81 -11.887 -11.318 2.216 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -12.475 -11.154 5.700 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -13.782 -12.341 5.651 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -13.583 -12.821 2.157 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -14.408 -13.284 3.649 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.429 -11.127 4.671 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.464 -12.167 4.344 1.00 0.82 C ATOM 1266 C LEU A 82 -6.965 -13.073 3.228 1.00 0.66 C ATOM 1267 O LEU A 82 -8.050 -13.652 3.317 1.00 0.84 O ATOM 1268 CB LEU A 82 -6.139 -13.001 5.586 1.00 1.25 C ATOM 1269 CG LEU A 82 -5.265 -12.302 6.625 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -5.132 -13.158 7.875 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -3.894 -12.000 6.040 1.00 1.65 C ATOM 0 H LEU A 82 -8.124 -11.397 5.367 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.558 -11.673 3.992 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -7.074 -13.297 6.061 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -5.639 -13.916 5.269 1.00 1.25 H new ATOM 0 HG LEU A 82 -5.741 -11.362 6.903 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -4.506 -12.643 8.604 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -6.119 -13.332 8.303 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -4.676 -14.113 7.615 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -3.280 -11.502 6.790 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.414 -12.931 5.738 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.004 -11.351 5.172 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.163 -13.188 2.183 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.464 -14.066 1.065 1.00 0.82 C ATOM 1285 C GLU A 83 -5.837 -15.437 1.326 1.00 1.29 C ATOM 1286 O GLU A 83 -4.886 -15.549 2.102 1.00 2.03 O ATOM 1287 CB GLU A 83 -5.914 -13.456 -0.230 1.00 1.39 C ATOM 1288 CG GLU A 83 -6.849 -13.575 -1.425 1.00 1.89 C ATOM 1289 CD GLU A 83 -7.202 -15.008 -1.746 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -6.371 -15.707 -2.360 1.00 2.36 O ATOM 1291 OE2 GLU A 83 -8.323 -15.433 -1.420 1.00 2.48 O ATOM 0 H GLU A 83 -5.286 -12.676 2.086 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.543 -14.183 0.959 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -5.696 -12.402 -0.057 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -4.969 -13.941 -0.473 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -7.763 -13.016 -1.224 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -6.380 -13.116 -2.296 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.345 -16.469 0.660 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.905 -17.833 0.919 1.00 1.78 C ATOM 1300 C GLU A 84 -4.759 -18.212 -0.010 1.00 1.46 C ATOM 1301 O GLU A 84 -4.055 -19.193 0.226 1.00 1.49 O ATOM 1302 CB GLU A 84 -7.057 -18.825 0.728 1.00 2.65 C ATOM 1303 CG GLU A 84 -8.301 -18.499 1.540 1.00 3.44 C ATOM 1304 CD GLU A 84 -8.017 -18.341 3.018 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -7.251 -19.159 3.564 1.00 4.35 O ATOM 1306 OE2 GLU A 84 -8.546 -17.396 3.639 1.00 3.98 O ATOM 0 H GLU A 84 -7.061 -16.386 -0.062 1.00 1.26 H new ATOM 0 HA GLU A 84 -5.563 -17.879 1.953 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -7.324 -18.856 -0.328 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -6.711 -19.823 0.998 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -8.745 -17.579 1.160 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -9.038 -19.290 1.400 1.00 3.44 H new ATOM 1313 N ASN A 85 -4.564 -17.431 -1.062 1.00 1.98 N ATOM 1314 CA ASN A 85 -3.444 -17.652 -1.966 1.00 2.36 C ATOM 1315 C ASN A 85 -2.258 -16.795 -1.534 1.00 1.83 C ATOM 1316 O ASN A 85 -1.486 -16.291 -2.350 1.00 2.36 O ATOM 1317 CB ASN A 85 -3.859 -17.358 -3.413 1.00 3.24 C ATOM 1318 CG ASN A 85 -2.807 -17.750 -4.435 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -1.976 -18.629 -4.192 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -2.853 -17.115 -5.595 1.00 4.33 N ATOM 0 H ASN A 85 -5.162 -16.643 -1.310 1.00 1.98 H new ATOM 0 HA ASN A 85 -3.141 -18.698 -1.920 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -4.784 -17.891 -3.633 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -4.072 -16.294 -3.513 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -2.185 -17.346 -6.330 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -3.557 -16.394 -5.754 1.00 4.33 H new ATOM 1327 N HIS A 86 -2.133 -16.663 -0.220 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.052 -15.906 0.415 1.00 1.29 C ATOM 1329 C HIS A 86 -0.924 -14.500 -0.166 1.00 1.07 C ATOM 1330 O HIS A 86 0.124 -14.114 -0.685 1.00 1.43 O ATOM 1331 CB HIS A 86 0.275 -16.663 0.306 1.00 2.00 C ATOM 1332 CG HIS A 86 0.245 -17.991 0.994 1.00 2.54 C ATOM 1333 ND1 HIS A 86 0.209 -19.189 0.317 1.00 3.33 N ATOM 1334 CD2 HIS A 86 0.224 -18.305 2.310 1.00 3.02 C ATOM 1335 CE1 HIS A 86 0.167 -20.181 1.186 1.00 3.99 C ATOM 1336 NE2 HIS A 86 0.173 -19.673 2.403 1.00 3.81 N ATOM 0 H HIS A 86 -2.784 -17.081 0.445 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.305 -15.799 1.470 1.00 1.29 H new ATOM 0 HB2 HIS A 86 0.518 -16.810 -0.746 1.00 2.00 H new ATOM 0 HB3 HIS A 86 1.071 -16.055 0.735 1.00 2.00 H new ATOM 0 HD2 HIS A 86 0.244 -17.608 3.135 1.00 3.02 H new ATOM 0 HE1 HIS A 86 0.133 -21.232 0.942 1.00 3.99 H new ATOM 0 HE2 HIS A 86 0.144 -20.209 3.270 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.009 -13.751 -0.080 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.028 -12.356 -0.489 1.00 0.49 C ATOM 1347 C TYR A 87 -2.717 -11.528 0.577 1.00 0.46 C ATOM 1348 O TYR A 87 -3.559 -12.041 1.319 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.767 -12.173 -1.820 1.00 0.61 C ATOM 1350 CG TYR A 87 -1.923 -12.435 -3.047 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -0.976 -11.516 -3.478 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.068 -13.614 -3.768 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -0.200 -11.761 -4.595 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -1.296 -13.867 -4.886 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.378 -12.899 -5.315 1.00 2.70 C ATOM 1356 OH TYR A 87 0.413 -13.185 -6.410 1.00 3.60 O ATOM 0 H TYR A 87 -2.902 -14.092 0.275 1.00 0.63 H new ATOM 0 HA TYR A 87 -0.997 -12.028 -0.619 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.628 -12.841 -1.838 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -3.152 -11.155 -1.870 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -0.843 -10.594 -2.931 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -2.796 -14.345 -3.449 1.00 1.38 H new ATOM 0 HE1 TYR A 87 0.550 -11.045 -4.896 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -1.399 -14.799 -5.422 1.00 2.16 H new ATOM 0 HH TYR A 87 0.138 -14.043 -6.797 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.364 -10.261 0.661 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.052 -9.357 1.547 1.00 0.38 C ATOM 1368 C ASN A 88 -3.996 -8.488 0.746 1.00 0.34 C ATOM 1369 O ASN A 88 -3.656 -8.004 -0.335 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.069 -8.493 2.334 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.474 -9.221 3.523 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -0.381 -9.786 3.445 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -2.199 -9.232 4.628 1.00 1.60 N ATOM 0 H ASN A 88 -1.605 -9.839 0.126 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.621 -9.944 2.268 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.266 -8.169 1.672 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.579 -7.594 2.681 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -1.859 -9.720 5.456 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -3.099 -8.752 4.652 1.00 1.60 H new ATOM 1380 N THR A 89 -5.185 -8.315 1.270 1.00 0.36 N ATOM 1381 CA THR A 89 -6.208 -7.542 0.609 1.00 0.37 C ATOM 1382 C THR A 89 -6.629 -6.406 1.529 1.00 0.37 C ATOM 1383 O THR A 89 -6.498 -6.520 2.739 1.00 0.40 O ATOM 1384 CB THR A 89 -7.410 -8.437 0.262 1.00 0.44 C ATOM 1385 OG1 THR A 89 -6.941 -9.738 -0.119 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.198 -7.840 -0.887 1.00 0.49 C ATOM 0 H THR A 89 -5.471 -8.706 2.167 1.00 0.36 H new ATOM 0 HA THR A 89 -5.820 -7.130 -0.322 1.00 0.37 H new ATOM 0 HB THR A 89 -8.055 -8.512 1.137 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.706 -10.310 -0.339 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.045 -8.485 -1.121 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.561 -6.852 -0.605 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.555 -7.754 -1.763 1.00 0.49 H new ATOM 1394 N TYR A 90 -7.100 -5.302 0.981 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.331 -4.124 1.802 1.00 0.42 C ATOM 1396 C TYR A 90 -8.664 -3.472 1.475 1.00 0.38 C ATOM 1397 O TYR A 90 -9.014 -3.290 0.306 1.00 0.42 O ATOM 1398 CB TYR A 90 -6.185 -3.115 1.631 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.854 -3.586 2.196 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.136 -4.609 1.587 1.00 0.76 C ATOM 1401 CD2 TYR A 90 -4.320 -3.012 3.340 1.00 0.57 C ATOM 1402 CE1 TYR A 90 -2.930 -5.044 2.098 1.00 0.85 C ATOM 1403 CE2 TYR A 90 -3.111 -3.441 3.857 1.00 0.67 C ATOM 1404 CZ TYR A 90 -2.422 -4.458 3.232 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.220 -4.888 3.745 1.00 0.87 O ATOM 0 H TYR A 90 -7.327 -5.194 -0.008 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.363 -4.446 2.843 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -6.061 -2.899 0.570 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.463 -2.180 2.117 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -4.530 -5.073 0.695 1.00 0.76 H new ATOM 0 HD2 TYR A 90 -4.857 -2.217 3.835 1.00 0.57 H new ATOM 0 HE1 TYR A 90 -2.389 -5.841 1.609 1.00 0.85 H new ATOM 0 HE2 TYR A 90 -2.708 -2.981 4.747 1.00 0.67 H new ATOM 0 HH TYR A 90 -1.003 -4.370 4.548 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.405 -3.125 2.514 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.670 -2.440 2.351 1.00 0.35 C ATOM 1417 C ILE A 91 -10.502 -0.995 2.770 1.00 0.36 C ATOM 1418 O ILE A 91 -9.744 -0.693 3.685 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.810 -3.128 3.158 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.949 -3.516 2.220 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.347 -2.235 4.272 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -12.556 -4.526 1.163 1.00 1.55 C ATOM 0 H ILE A 91 -9.148 -3.309 3.484 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.962 -2.486 1.302 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.388 -4.019 3.622 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.770 -3.923 2.810 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -13.324 -2.618 1.729 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -13.140 -2.758 4.807 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -11.541 -1.993 4.965 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.744 -1.316 3.842 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -13.419 -4.751 0.536 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -11.757 -4.115 0.546 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -12.209 -5.440 1.645 1.00 1.55 H new ATOM 1434 N SER A 92 -11.237 -0.122 2.136 1.00 0.36 N ATOM 1435 CA SER A 92 -11.097 1.302 2.358 1.00 0.40 C ATOM 1436 C SER A 92 -11.925 1.713 3.558 1.00 0.43 C ATOM 1437 O SER A 92 -13.134 1.884 3.485 1.00 0.53 O ATOM 1438 CB SER A 92 -11.535 2.035 1.099 1.00 0.47 C ATOM 1439 OG SER A 92 -12.843 1.659 0.717 1.00 1.33 O ATOM 0 H SER A 92 -11.950 -0.371 1.451 1.00 0.36 H new ATOM 0 HA SER A 92 -10.059 1.559 2.568 1.00 0.40 H new ATOM 0 HB2 SER A 92 -11.499 3.111 1.270 1.00 0.47 H new ATOM 0 HB3 SER A 92 -10.840 1.818 0.288 1.00 0.47 H new ATOM 0 HG SER A 92 -13.456 2.410 0.865 1.00 1.33 H new ATOM 1445 N LYS A 93 -11.238 1.815 4.688 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.888 2.047 5.964 1.00 0.54 C ATOM 1447 C LYS A 93 -12.243 3.502 6.187 1.00 0.57 C ATOM 1448 O LYS A 93 -12.940 3.822 7.148 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.967 1.572 7.079 1.00 0.65 C ATOM 1450 CG LYS A 93 -11.190 0.132 7.456 1.00 0.84 C ATOM 1451 CD LYS A 93 -12.118 -0.008 8.653 1.00 1.27 C ATOM 1452 CE LYS A 93 -11.497 0.588 9.910 1.00 1.20 C ATOM 1453 NZ LYS A 93 -12.364 0.408 11.104 1.00 1.58 N ATOM 0 H LYS A 93 -10.222 1.739 4.743 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.824 1.488 5.964 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.931 1.703 6.767 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -11.117 2.199 7.958 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -11.612 -0.404 6.606 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -10.232 -0.335 7.684 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -13.064 0.490 8.442 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -12.342 -1.061 8.820 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -10.529 0.120 10.092 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -11.313 1.651 9.754 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -11.770 0.254 11.944 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -12.945 1.259 11.242 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -12.984 -0.415 10.962 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.842 4.371 5.279 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.242 5.763 5.385 1.00 0.67 C ATOM 1469 C LYS A 94 -13.739 5.817 5.191 1.00 0.79 C ATOM 1470 O LYS A 94 -14.486 6.110 6.121 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.488 6.669 4.386 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.974 8.108 4.359 1.00 1.21 C ATOM 1473 CD LYS A 94 -10.833 9.072 4.077 1.00 1.56 C ATOM 1474 CE LYS A 94 -10.401 9.822 5.333 1.00 2.00 C ATOM 1475 NZ LYS A 94 -10.080 8.909 6.465 1.00 2.32 N ATOM 0 H LYS A 94 -11.253 4.147 4.477 1.00 0.52 H new ATOM 0 HA LYS A 94 -11.978 6.153 6.368 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -10.427 6.661 4.635 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.584 6.246 3.386 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -12.744 8.220 3.596 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -12.435 8.356 5.315 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -9.984 8.521 3.672 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -11.142 9.787 3.315 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -9.527 10.432 5.105 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -11.196 10.504 5.636 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -9.515 9.419 7.173 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -10.962 8.575 6.902 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -9.539 8.095 6.111 1.00 2.32 H new ATOM 1489 N HIS A 95 -14.180 5.536 3.990 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.588 5.290 3.751 1.00 0.96 C ATOM 1491 C HIS A 95 -15.885 3.800 3.680 1.00 1.01 C ATOM 1492 O HIS A 95 -16.488 3.335 2.712 1.00 1.23 O ATOM 1493 CB HIS A 95 -16.080 6.031 2.514 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.991 7.507 2.693 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -15.117 8.288 1.988 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -16.623 8.335 3.555 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.202 9.530 2.407 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -16.112 9.590 3.357 1.00 2.32 N ATOM 0 H HIS A 95 -13.589 5.471 3.161 1.00 0.76 H new ATOM 0 HA HIS A 95 -16.144 5.686 4.601 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -15.488 5.732 1.649 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -17.112 5.750 2.306 1.00 1.06 H new ATOM 0 HD1 HIS A 95 -14.495 7.957 1.250 1.00 1.55 H new ATOM 0 HD2 HIS A 95 -17.387 8.059 4.266 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -14.623 10.362 2.035 1.00 2.27 H new ATOM 1507 N ALA A 96 -15.461 3.053 4.708 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.714 1.607 4.786 1.00 1.02 C ATOM 1509 C ALA A 96 -17.173 1.276 4.481 1.00 1.03 C ATOM 1510 O ALA A 96 -17.486 0.222 3.921 1.00 1.05 O ATOM 1511 CB ALA A 96 -15.335 1.081 6.163 1.00 1.18 C ATOM 0 H ALA A 96 -14.939 3.428 5.500 1.00 0.94 H new ATOM 0 HA ALA A 96 -15.096 1.120 4.032 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -15.527 0.009 6.208 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -14.277 1.268 6.345 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.930 1.589 6.923 1.00 1.18 H new ATOM 1517 N GLU A 97 -18.048 2.207 4.835 1.00 1.07 N ATOM 1518 CA GLU A 97 -19.480 2.087 4.602 1.00 1.16 C ATOM 1519 C GLU A 97 -19.821 1.841 3.128 1.00 1.07 C ATOM 1520 O GLU A 97 -20.882 1.301 2.823 1.00 1.18 O ATOM 1521 CB GLU A 97 -20.175 3.362 5.078 1.00 1.30 C ATOM 1522 CG GLU A 97 -19.537 4.628 4.524 1.00 2.04 C ATOM 1523 CD GLU A 97 -20.295 5.883 4.891 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -20.168 6.348 6.046 1.00 3.22 O ATOM 1525 OE2 GLU A 97 -21.006 6.421 4.021 1.00 3.42 O ATOM 0 H GLU A 97 -17.780 3.076 5.297 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.831 1.221 5.163 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -21.223 3.330 4.782 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -20.152 3.397 6.167 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -18.515 4.706 4.896 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -19.476 4.552 3.438 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.932 2.231 2.213 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.249 2.129 0.792 1.00 0.88 C ATOM 1534 C LYS A 98 -18.778 0.807 0.205 1.00 0.83 C ATOM 1535 O LYS A 98 -19.032 0.516 -0.967 1.00 0.83 O ATOM 1536 CB LYS A 98 -18.579 3.270 0.036 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.545 4.123 -0.772 1.00 1.41 C ATOM 1538 CD LYS A 98 -20.422 4.992 0.116 1.00 1.98 C ATOM 1539 CE LYS A 98 -19.620 6.094 0.788 1.00 2.14 C ATOM 1540 NZ LYS A 98 -20.491 7.047 1.525 1.00 2.65 N ATOM 0 H LYS A 98 -18.009 2.611 2.425 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.333 2.186 0.689 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -18.055 3.907 0.749 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -17.826 2.856 -0.635 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -18.982 4.757 -1.457 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -20.176 3.476 -1.382 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -21.220 5.434 -0.481 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -20.898 4.373 0.876 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -18.902 5.651 1.478 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -19.046 6.635 0.036 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -20.093 8.005 1.456 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -21.445 7.037 1.110 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -20.545 6.766 2.525 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.063 0.029 1.009 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.775 -1.375 0.694 1.00 0.84 C ATOM 1556 C ASN A 99 -16.686 -1.497 -0.367 1.00 0.68 C ATOM 1557 O ASN A 99 -16.560 -2.537 -1.018 1.00 0.74 O ATOM 1558 CB ASN A 99 -19.033 -2.132 0.245 1.00 1.01 C ATOM 1559 CG ASN A 99 -20.103 -2.181 1.316 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -20.995 -1.332 1.361 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -20.014 -3.165 2.192 1.00 2.00 N ATOM 0 H ASN A 99 -17.666 0.346 1.894 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.415 -1.832 1.616 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.440 -1.655 -0.647 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.759 -3.149 -0.035 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -20.700 -3.243 2.943 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -19.259 -3.847 2.118 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.912 -0.439 -0.550 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.929 -0.403 -1.625 1.00 0.44 C ATOM 1570 C TRP A 100 -13.741 -1.302 -1.319 1.00 0.41 C ATOM 1571 O TRP A 100 -13.343 -1.464 -0.165 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.417 1.018 -1.865 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.435 1.986 -2.386 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.606 1.710 -3.031 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -15.337 3.407 -2.324 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -17.245 2.885 -3.363 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.480 3.943 -2.939 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -14.386 4.274 -1.800 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.690 5.321 -3.042 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -14.591 5.631 -1.901 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.728 6.148 -2.514 1.00 1.01 C ATOM 0 H TRP A 100 -15.943 0.402 0.027 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.435 -0.762 -2.521 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.017 1.406 -0.928 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.588 0.973 -2.571 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -16.976 0.719 -3.249 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -18.141 2.957 -3.845 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.499 3.888 -1.320 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -17.574 5.720 -3.518 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.854 6.309 -1.496 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -15.857 7.219 -2.576 1.00 1.01 H new ATOM 1592 N PHE A 101 -13.179 -1.880 -2.366 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.949 -2.639 -2.252 1.00 0.51 C ATOM 1594 C PHE A 101 -10.833 -1.760 -2.742 1.00 0.55 C ATOM 1595 O PHE A 101 -10.837 -1.387 -3.903 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.956 -3.879 -3.148 1.00 0.60 C ATOM 1597 CG PHE A 101 -13.168 -4.751 -3.060 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -14.299 -4.456 -3.798 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -13.158 -5.893 -2.279 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -15.399 -5.282 -3.764 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -14.258 -6.721 -2.231 1.00 0.79 C ATOM 1602 CZ PHE A 101 -15.381 -6.416 -2.980 1.00 0.77 C ATOM 0 H PHE A 101 -13.560 -1.837 -3.311 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.833 -2.951 -1.214 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.842 -3.555 -4.182 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -11.081 -4.482 -2.905 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -14.320 -3.566 -4.409 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -12.279 -6.138 -1.701 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -16.274 -5.043 -4.350 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -14.244 -7.605 -1.611 1.00 0.79 H new ATOM 0 HZ PHE A 101 -16.243 -7.066 -2.950 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.883 -1.415 -1.910 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.858 -0.514 -2.360 1.00 0.55 C ATOM 1614 C VAL A 102 -7.513 -1.198 -2.516 1.00 0.50 C ATOM 1615 O VAL A 102 -6.910 -1.677 -1.556 1.00 0.60 O ATOM 1616 CB VAL A 102 -8.744 0.704 -1.446 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -9.926 1.627 -1.689 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -8.665 0.290 0.016 1.00 1.27 C ATOM 0 H VAL A 102 -9.799 -1.734 -0.945 1.00 0.52 H new ATOM 0 HA VAL A 102 -9.161 -0.171 -3.349 1.00 0.55 H new ATOM 0 HB VAL A 102 -7.822 1.236 -1.679 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -9.848 2.498 -1.038 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -9.927 1.951 -2.730 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -10.853 1.095 -1.474 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -8.585 1.179 0.642 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -9.564 -0.264 0.286 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -7.790 -0.342 0.169 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.055 -1.217 -3.749 1.00 0.54 N ATOM 1629 CA GLY A 103 -5.756 -1.757 -4.056 1.00 0.61 C ATOM 1630 C GLY A 103 -5.002 -0.834 -4.962 1.00 0.54 C ATOM 1631 O GLY A 103 -5.587 -0.076 -5.732 1.00 0.66 O ATOM 0 H GLY A 103 -7.568 -0.862 -4.556 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.193 -1.911 -3.135 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -5.865 -2.732 -4.530 1.00 0.61 H new ATOM 1635 N LEU A 104 -3.710 -0.869 -4.875 1.00 0.53 N ATOM 1636 CA LEU A 104 -2.912 0.052 -5.625 1.00 0.50 C ATOM 1637 C LEU A 104 -2.075 -0.733 -6.597 1.00 0.59 C ATOM 1638 O LEU A 104 -1.710 -1.871 -6.327 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.055 0.895 -4.682 1.00 0.77 C ATOM 1640 CG LEU A 104 -0.670 0.349 -4.367 1.00 1.07 C ATOM 1641 CD1 LEU A 104 0.079 1.330 -3.492 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.725 -1.013 -3.702 1.00 1.27 C ATOM 0 H LEU A 104 -3.185 -1.523 -4.294 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.543 0.744 -6.183 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.941 1.888 -5.117 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.597 1.018 -3.744 1.00 0.77 H new ATOM 0 HG LEU A 104 -0.143 0.221 -5.313 1.00 1.07 H new ATOM 0 HD11 LEU A 104 1.070 0.935 -3.269 1.00 1.62 H new ATOM 0 HD12 LEU A 104 0.177 2.282 -4.014 1.00 1.62 H new ATOM 0 HD13 LEU A 104 -0.469 1.481 -2.562 1.00 1.62 H new ATOM 0 HD21 LEU A 104 0.288 -1.359 -3.498 1.00 1.27 H new ATOM 0 HD22 LEU A 104 -1.279 -0.939 -2.766 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.224 -1.721 -4.364 1.00 1.27 H new ATOM 1654 N LYS A 105 -1.793 -0.169 -7.735 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.048 -0.934 -8.723 1.00 0.54 C ATOM 1656 C LYS A 105 0.423 -0.613 -8.632 1.00 0.49 C ATOM 1657 O LYS A 105 0.892 0.355 -9.185 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.578 -0.651 -10.138 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.004 -1.565 -11.213 1.00 0.94 C ATOM 1660 CD LYS A 105 -1.649 -2.944 -11.192 1.00 1.55 C ATOM 1661 CE LYS A 105 -3.075 -2.915 -11.733 1.00 1.97 C ATOM 1662 NZ LYS A 105 -3.116 -2.654 -13.199 1.00 2.09 N ATOM 0 H LYS A 105 -2.050 0.780 -8.007 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.184 -1.995 -8.515 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -2.663 -0.750 -10.134 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.353 0.383 -10.398 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -1.152 -1.110 -12.193 1.00 0.94 H new ATOM 0 HG3 LYS A 105 0.072 -1.665 -11.067 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -1.050 -3.634 -11.786 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -1.656 -3.326 -10.171 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -3.561 -3.867 -11.522 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -3.644 -2.144 -11.213 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -4.069 -2.859 -13.562 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -2.883 -1.657 -13.381 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -2.424 -3.264 -13.680 1.00 2.09 H new ATOM 1676 N LYS A 106 1.177 -1.506 -8.030 1.00 0.46 N ATOM 1677 CA LYS A 106 2.591 -1.270 -7.893 1.00 0.44 C ATOM 1678 C LYS A 106 3.234 -1.461 -9.237 1.00 0.44 C ATOM 1679 O LYS A 106 4.254 -0.867 -9.531 1.00 0.46 O ATOM 1680 CB LYS A 106 3.252 -2.173 -6.827 1.00 0.51 C ATOM 1681 CG LYS A 106 3.476 -3.626 -7.244 1.00 0.81 C ATOM 1682 CD LYS A 106 4.676 -3.797 -8.159 1.00 1.11 C ATOM 1683 CE LYS A 106 4.497 -4.944 -9.146 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.596 -6.272 -8.498 1.00 1.57 N ATOM 0 H LYS A 106 0.841 -2.385 -7.636 1.00 0.46 H new ATOM 0 HA LYS A 106 2.738 -0.248 -7.543 1.00 0.44 H new ATOM 0 HB2 LYS A 106 4.214 -1.739 -6.554 1.00 0.51 H new ATOM 0 HB3 LYS A 106 2.631 -2.162 -5.931 1.00 0.51 H new ATOM 0 HG2 LYS A 106 3.614 -4.238 -6.353 1.00 0.81 H new ATOM 0 HG3 LYS A 106 2.584 -3.996 -7.749 1.00 0.81 H new ATOM 0 HD2 LYS A 106 4.844 -2.871 -8.709 1.00 1.11 H new ATOM 0 HD3 LYS A 106 5.566 -3.976 -7.556 1.00 1.11 H new ATOM 0 HE2 LYS A 106 3.526 -4.852 -9.632 1.00 1.02 H new ATOM 0 HE3 LYS A 106 5.253 -4.868 -9.927 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 4.603 -7.014 -9.227 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 5.474 -6.323 -7.943 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.780 -6.413 -7.869 1.00 1.57 H new ATOM 1698 N ASN A 107 2.667 -2.327 -10.069 1.00 0.50 N ATOM 1699 CA ASN A 107 3.293 -2.521 -11.359 1.00 0.56 C ATOM 1700 C ASN A 107 3.069 -1.302 -12.243 1.00 0.60 C ATOM 1701 O ASN A 107 3.660 -1.182 -13.312 1.00 0.70 O ATOM 1702 CB ASN A 107 2.777 -3.785 -12.040 1.00 0.67 C ATOM 1703 CG ASN A 107 3.833 -4.394 -12.942 1.00 1.47 C ATOM 1704 OD1 ASN A 107 4.670 -5.170 -12.483 1.00 2.40 O ATOM 1705 ND2 ASN A 107 3.799 -4.058 -14.221 1.00 1.84 N ATOM 0 H ASN A 107 1.826 -2.874 -9.886 1.00 0.50 H new ATOM 0 HA ASN A 107 4.364 -2.645 -11.201 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.478 -4.512 -11.285 1.00 0.67 H new ATOM 0 HB3 ASN A 107 1.888 -3.549 -12.625 1.00 0.67 H new ATOM 0 HD21 ASN A 107 4.485 -4.446 -14.869 1.00 1.84 H new ATOM 0 HD22 ASN A 107 3.087 -3.411 -14.559 1.00 1.84 H new ATOM 1712 N GLY A 108 2.226 -0.393 -11.779 1.00 0.56 N ATOM 1713 CA GLY A 108 2.144 0.916 -12.375 1.00 0.65 C ATOM 1714 C GLY A 108 2.398 2.001 -11.356 1.00 0.60 C ATOM 1715 O GLY A 108 3.522 2.389 -11.046 1.00 0.71 O ATOM 0 H GLY A 108 1.593 -0.544 -10.993 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.871 0.996 -13.183 1.00 0.65 H new ATOM 0 HA3 GLY A 108 1.158 1.055 -12.819 1.00 0.65 H new ATOM 1719 N SER A 109 1.294 2.340 -10.741 1.00 0.53 N ATOM 1720 CA SER A 109 1.142 3.460 -9.837 1.00 0.64 C ATOM 1721 C SER A 109 -0.112 3.173 -9.033 1.00 0.54 C ATOM 1722 O SER A 109 -0.876 2.282 -9.408 1.00 0.54 O ATOM 1723 CB SER A 109 1.026 4.777 -10.617 1.00 0.93 C ATOM 1724 OG SER A 109 0.069 4.685 -11.656 1.00 1.50 O ATOM 0 H SER A 109 0.427 1.816 -10.862 1.00 0.53 H new ATOM 0 HA SER A 109 2.007 3.574 -9.183 1.00 0.64 H new ATOM 0 HB2 SER A 109 0.748 5.581 -9.935 1.00 0.93 H new ATOM 0 HB3 SER A 109 1.997 5.038 -11.038 1.00 0.93 H new ATOM 0 HG SER A 109 -0.771 5.096 -11.364 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.380 3.893 -7.963 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.467 3.475 -7.110 1.00 0.82 C ATOM 1732 C CYS A 110 -2.788 3.966 -7.682 1.00 0.66 C ATOM 1733 O CYS A 110 -3.069 5.145 -7.764 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.242 4.016 -5.700 1.00 1.35 C ATOM 1735 SG CYS A 110 -0.556 5.688 -5.652 1.00 2.32 S ATOM 0 H CYS A 110 0.117 4.735 -7.673 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.503 2.387 -7.061 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -2.191 4.009 -5.164 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -0.570 3.343 -5.167 1.00 1.35 H new ATOM 0 HG CYS A 110 0.737 5.630 -5.776 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.564 2.981 -8.097 1.00 0.72 N ATOM 1742 CA LYS A 111 -4.754 3.149 -8.873 1.00 1.00 C ATOM 1743 C LYS A 111 -5.864 2.552 -8.066 1.00 0.75 C ATOM 1744 O LYS A 111 -5.944 1.341 -7.895 1.00 1.56 O ATOM 1745 CB LYS A 111 -4.569 2.476 -10.234 1.00 2.13 C ATOM 1746 CG LYS A 111 -3.559 3.213 -11.103 1.00 2.53 C ATOM 1747 CD LYS A 111 -2.838 2.298 -12.081 1.00 2.18 C ATOM 1748 CE LYS A 111 -2.075 3.118 -13.110 1.00 3.01 C ATOM 1749 NZ LYS A 111 -1.444 2.279 -14.160 1.00 3.59 N ATOM 0 H LYS A 111 -3.363 2.003 -7.887 1.00 0.72 H new ATOM 0 HA LYS A 111 -4.985 4.194 -9.083 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -4.239 1.447 -10.088 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -5.528 2.433 -10.750 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -4.071 3.999 -11.659 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -2.825 3.702 -10.462 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -2.149 1.648 -11.541 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -3.558 1.652 -12.583 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -2.756 3.828 -13.579 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -1.305 3.701 -12.605 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -0.938 2.889 -14.834 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -0.773 1.618 -13.719 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -2.179 1.742 -14.663 1.00 3.59 H new ATOM 1763 N ARG A 112 -6.709 3.396 -7.611 1.00 0.95 N ATOM 1764 CA ARG A 112 -7.556 3.112 -6.497 1.00 1.36 C ATOM 1765 C ARG A 112 -9.023 3.303 -6.820 1.00 1.14 C ATOM 1766 O ARG A 112 -9.381 3.470 -7.984 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.018 3.842 -5.296 1.00 2.63 C ATOM 1768 CG ARG A 112 -5.767 3.153 -4.738 1.00 3.07 C ATOM 1769 CD ARG A 112 -6.138 2.118 -3.688 1.00 4.09 C ATOM 1770 NE ARG A 112 -4.955 1.469 -3.113 1.00 4.81 N ATOM 1771 CZ ARG A 112 -4.805 1.183 -1.817 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -5.736 1.534 -0.942 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -3.709 0.560 -1.397 1.00 6.59 N ATOM 0 H ARG A 112 -6.841 4.327 -8.005 1.00 0.95 H new ATOM 0 HA ARG A 112 -7.532 2.053 -6.241 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -6.778 4.869 -5.570 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -7.785 3.889 -4.523 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.219 2.673 -5.549 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -5.102 3.898 -4.301 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -6.711 2.597 -2.894 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -6.784 1.363 -4.136 1.00 4.09 H new ATOM 0 HE ARG A 112 -4.195 1.219 -3.746 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -6.573 2.025 -1.257 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -5.616 1.313 0.047 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -2.983 0.300 -2.064 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -3.594 0.341 -0.407 1.00 6.59 H new ATOM 1787 N GLY A 113 -9.857 3.230 -5.792 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.207 2.693 -5.861 1.00 0.76 C ATOM 1789 C GLY A 113 -12.154 3.233 -6.923 1.00 0.77 C ATOM 1790 O GLY A 113 -13.117 2.534 -7.230 1.00 0.80 O ATOM 0 H GLY A 113 -9.604 3.553 -4.858 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.127 1.616 -6.006 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.675 2.850 -4.889 1.00 0.76 H new ATOM 1794 N PRO A 114 -11.955 4.413 -7.531 1.00 0.90 N ATOM 1795 CA PRO A 114 -12.607 4.716 -8.806 1.00 1.07 C ATOM 1796 C PRO A 114 -12.485 3.570 -9.840 1.00 0.90 C ATOM 1797 O PRO A 114 -13.284 3.494 -10.777 1.00 1.05 O ATOM 1798 CB PRO A 114 -11.852 5.951 -9.291 1.00 1.40 C ATOM 1799 CG PRO A 114 -11.433 6.648 -8.043 1.00 1.38 C ATOM 1800 CD PRO A 114 -11.210 5.577 -7.008 1.00 1.03 C ATOM 0 HA PRO A 114 -13.680 4.862 -8.685 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -10.991 5.676 -9.900 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -12.487 6.588 -9.907 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -10.522 7.224 -8.208 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -12.199 7.350 -7.715 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -10.150 5.352 -6.889 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -11.583 5.883 -6.030 1.00 1.03 H new ATOM 1808 N ARG A 115 -11.509 2.665 -9.663 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.272 1.606 -10.613 1.00 0.74 C ATOM 1810 C ARG A 115 -11.186 0.259 -9.906 1.00 0.69 C ATOM 1811 O ARG A 115 -11.017 -0.774 -10.558 1.00 0.86 O ATOM 1812 CB ARG A 115 -9.976 1.874 -11.382 1.00 0.96 C ATOM 1813 CG ARG A 115 -10.177 2.054 -12.876 1.00 1.39 C ATOM 1814 CD ARG A 115 -10.833 0.832 -13.496 1.00 1.63 C ATOM 1815 NE ARG A 115 -10.974 0.955 -14.944 1.00 1.81 N ATOM 1816 CZ ARG A 115 -12.003 0.463 -15.628 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -13.021 -0.092 -14.986 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -12.029 0.552 -16.951 1.00 2.62 N ATOM 0 H ARG A 115 -10.878 2.660 -8.862 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.107 1.577 -11.314 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.503 2.769 -10.978 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -9.287 1.046 -11.214 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -10.795 2.933 -13.059 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -9.215 2.235 -13.355 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -10.240 -0.053 -13.265 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -11.816 0.683 -13.049 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.243 1.445 -15.459 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -13.015 -0.142 -13.967 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -13.810 -0.469 -15.511 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -11.258 0.999 -17.447 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -12.820 0.173 -17.472 1.00 2.62 H new ATOM 1832 N THR A 116 -11.300 0.249 -8.579 1.00 0.61 N ATOM 1833 CA THR A 116 -11.214 -0.990 -7.858 1.00 0.75 C ATOM 1834 C THR A 116 -12.586 -1.414 -7.343 1.00 0.85 C ATOM 1835 O THR A 116 -13.544 -0.639 -7.393 1.00 1.23 O ATOM 1836 CB THR A 116 -10.174 -0.940 -6.734 1.00 0.93 C ATOM 1837 OG1 THR A 116 -10.456 0.118 -5.837 1.00 0.93 O ATOM 1838 CG2 THR A 116 -8.770 -0.774 -7.295 1.00 1.13 C ATOM 0 H THR A 116 -11.449 1.077 -8.002 1.00 0.61 H new ATOM 0 HA THR A 116 -10.869 -1.750 -8.559 1.00 0.75 H new ATOM 0 HB THR A 116 -10.226 -1.886 -6.196 1.00 0.93 H new ATOM 0 HG1 THR A 116 -10.621 -0.247 -4.942 1.00 0.93 H new ATOM 0 HG21 THR A 116 -8.052 -0.742 -6.475 1.00 1.13 H new ATOM 0 HG22 THR A 116 -8.537 -1.615 -7.948 1.00 1.13 H new ATOM 0 HG23 THR A 116 -8.713 0.154 -7.864 1.00 1.13 H new ATOM 1846 N HIS A 117 -12.620 -2.611 -6.772 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.734 -3.538 -6.905 1.00 0.77 C ATOM 1848 C HIS A 117 -13.007 -4.704 -7.506 1.00 0.68 C ATOM 1849 O HIS A 117 -11.771 -4.634 -7.568 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.830 -3.019 -7.862 1.00 0.89 C ATOM 1851 CG HIS A 117 -16.098 -3.818 -7.877 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -17.101 -3.644 -6.953 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -16.538 -4.774 -8.729 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -18.100 -4.459 -7.233 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -17.785 -5.156 -8.306 1.00 2.85 N ATOM 0 H HIS A 117 -11.861 -2.970 -6.194 1.00 0.70 H new ATOM 0 HA HIS A 117 -14.274 -3.733 -5.978 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -15.071 -1.991 -7.589 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.424 -2.994 -8.873 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -16.005 -5.164 -9.584 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -19.022 -4.541 -6.676 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -18.372 -5.863 -8.749 1.00 2.85 H new ATOM 1864 N TYR A 118 -13.622 -5.759 -7.965 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.784 -6.578 -8.795 1.00 0.69 C ATOM 1866 C TYR A 118 -12.779 -5.892 -10.153 1.00 0.68 C ATOM 1867 O TYR A 118 -13.498 -6.239 -11.090 1.00 0.77 O ATOM 1868 CB TYR A 118 -13.298 -8.015 -8.897 1.00 0.78 C ATOM 1869 CG TYR A 118 -12.294 -8.959 -9.518 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -11.198 -9.403 -8.791 1.00 1.90 C ATOM 1871 CD2 TYR A 118 -12.432 -9.394 -10.829 1.00 2.33 C ATOM 1872 CE1 TYR A 118 -10.268 -10.255 -9.350 1.00 2.72 C ATOM 1873 CE2 TYR A 118 -11.504 -10.247 -11.397 1.00 3.13 C ATOM 1874 CZ TYR A 118 -10.425 -10.675 -10.651 1.00 3.19 C ATOM 1875 OH TYR A 118 -9.496 -11.522 -11.209 1.00 4.11 O ATOM 0 H TYR A 118 -14.586 -6.051 -7.806 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.781 -6.667 -8.378 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.558 -8.374 -7.901 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -14.213 -8.026 -9.489 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -11.071 -9.076 -7.770 1.00 1.90 H new ATOM 0 HD2 TYR A 118 -13.277 -9.061 -11.414 1.00 2.33 H new ATOM 0 HE1 TYR A 118 -9.421 -10.591 -8.770 1.00 2.72 H new ATOM 0 HE2 TYR A 118 -11.623 -10.576 -12.419 1.00 3.13 H new ATOM 0 HH TYR A 118 -9.752 -11.725 -12.133 1.00 4.11 H new ATOM 1885 N GLY A 119 -11.931 -4.864 -10.173 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.594 -4.094 -11.337 1.00 0.65 C ATOM 1887 C GLY A 119 -10.172 -4.374 -11.723 1.00 0.65 C ATOM 1888 O GLY A 119 -9.821 -4.521 -12.891 1.00 0.73 O ATOM 0 H GLY A 119 -11.447 -4.543 -9.334 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.263 -4.346 -12.160 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -11.725 -3.031 -11.134 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.356 -4.460 -10.678 1.00 0.60 N ATOM 1893 CA GLN A 120 -7.915 -4.517 -10.806 1.00 0.64 C ATOM 1894 C GLN A 120 -7.316 -5.476 -9.780 1.00 0.62 C ATOM 1895 O GLN A 120 -7.750 -5.517 -8.630 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.339 -3.107 -10.615 1.00 0.67 C ATOM 1897 CG GLN A 120 -7.234 -2.311 -11.904 1.00 1.05 C ATOM 1898 CD GLN A 120 -6.864 -0.859 -11.671 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -7.212 0.013 -12.463 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -6.163 -0.585 -10.580 1.00 2.13 N ATOM 0 H GLN A 120 -9.685 -4.492 -9.713 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.659 -4.887 -11.799 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -7.966 -2.560 -9.911 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.349 -3.186 -10.166 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -6.487 -2.772 -12.550 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -8.186 -2.358 -12.433 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -5.892 -1.336 -9.946 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -5.894 0.377 -10.375 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.297 -6.225 -10.196 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.586 -7.139 -9.302 1.00 0.78 C ATOM 1911 C LYS A 121 -4.580 -6.359 -8.478 1.00 0.70 C ATOM 1912 O LYS A 121 -3.746 -6.924 -7.774 1.00 0.75 O ATOM 1913 CB LYS A 121 -4.865 -8.256 -10.077 1.00 1.06 C ATOM 1914 CG LYS A 121 -5.789 -9.221 -10.814 1.00 1.43 C ATOM 1915 CD LYS A 121 -6.303 -8.632 -12.118 1.00 1.94 C ATOM 1916 CE LYS A 121 -7.142 -9.633 -12.897 1.00 2.28 C ATOM 1917 NZ LYS A 121 -7.465 -9.140 -14.262 1.00 2.85 N ATOM 0 H LYS A 121 -5.943 -6.217 -11.152 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.322 -7.610 -8.651 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -4.188 -7.800 -10.799 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -4.250 -8.825 -9.379 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -5.255 -10.148 -11.021 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -6.633 -9.476 -10.173 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -6.899 -7.745 -11.906 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -5.460 -8.311 -12.729 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -6.605 -10.579 -12.970 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -8.066 -9.833 -12.355 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -8.038 -9.850 -14.761 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -8.000 -8.251 -14.192 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -6.584 -8.974 -14.789 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.683 -5.042 -8.577 1.00 0.67 N ATOM 1932 CA ALA A 122 -3.891 -4.130 -7.778 1.00 0.72 C ATOM 1933 C ALA A 122 -4.256 -4.273 -6.308 1.00 0.54 C ATOM 1934 O ALA A 122 -3.554 -3.790 -5.426 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.135 -2.708 -8.248 1.00 0.92 C ATOM 0 H ALA A 122 -5.324 -4.577 -9.220 1.00 0.67 H new ATOM 0 HA ALA A 122 -2.834 -4.368 -7.895 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -3.540 -2.019 -7.648 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -3.849 -2.617 -9.296 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.192 -2.465 -8.138 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.374 -4.941 -6.068 1.00 0.44 N ATOM 1942 CA ILE A 123 -5.874 -5.166 -4.725 1.00 0.44 C ATOM 1943 C ILE A 123 -5.266 -6.443 -4.130 1.00 0.40 C ATOM 1944 O ILE A 123 -5.530 -6.808 -2.985 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.413 -5.277 -4.764 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.000 -4.091 -5.526 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.000 -5.337 -3.358 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -9.501 -4.152 -5.669 1.00 1.37 C ATOM 0 H ILE A 123 -5.959 -5.342 -6.801 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.587 -4.326 -4.093 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.674 -6.203 -5.277 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.729 -3.169 -5.012 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -7.550 -4.047 -6.518 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.085 -5.415 -3.420 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.603 -6.207 -2.835 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.732 -4.432 -2.813 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -9.850 -3.279 -6.220 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -9.779 -5.057 -6.210 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -9.960 -4.165 -4.681 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.423 -7.104 -4.908 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.748 -8.306 -4.444 1.00 0.43 C ATOM 1962 C LEU A 124 -2.267 -8.032 -4.219 1.00 0.37 C ATOM 1963 O LEU A 124 -1.443 -8.218 -5.125 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.927 -9.444 -5.451 1.00 0.63 C ATOM 1965 CG LEU A 124 -5.369 -9.912 -5.656 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -5.435 -10.987 -6.730 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -5.951 -10.429 -4.348 1.00 1.83 C ATOM 0 H LEU A 124 -4.190 -6.829 -5.862 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.195 -8.606 -3.496 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -3.526 -9.123 -6.412 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -3.329 -10.295 -5.124 1.00 0.63 H new ATOM 0 HG LEU A 124 -5.963 -9.060 -5.986 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -6.469 -11.307 -6.861 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -5.057 -10.586 -7.670 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -4.827 -11.840 -6.429 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -6.977 -10.758 -4.511 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -5.354 -11.268 -3.990 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -5.939 -9.632 -3.604 1.00 1.83 H new ATOM 1979 N PHE A 125 -1.926 -7.573 -3.018 1.00 0.37 N ATOM 1980 CA PHE A 125 -0.541 -7.285 -2.699 1.00 0.45 C ATOM 1981 C PHE A 125 -0.047 -8.026 -1.470 1.00 0.36 C ATOM 1982 O PHE A 125 -0.819 -8.505 -0.651 1.00 0.51 O ATOM 1983 CB PHE A 125 -0.240 -5.785 -2.551 1.00 0.81 C ATOM 1984 CG PHE A 125 -1.339 -4.876 -2.058 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -2.554 -4.778 -2.718 1.00 1.00 C ATOM 1986 CD2 PHE A 125 -1.122 -4.071 -0.952 1.00 1.05 C ATOM 1987 CE1 PHE A 125 -3.531 -3.907 -2.278 1.00 1.05 C ATOM 1988 CE2 PHE A 125 -2.091 -3.191 -0.515 1.00 1.18 C ATOM 1989 CZ PHE A 125 -3.299 -3.112 -1.177 1.00 0.85 C ATOM 0 H PHE A 125 -2.586 -7.396 -2.260 1.00 0.37 H new ATOM 0 HA PHE A 125 0.008 -7.651 -3.567 1.00 0.45 H new ATOM 0 HB2 PHE A 125 0.606 -5.682 -1.871 1.00 0.81 H new ATOM 0 HB3 PHE A 125 0.086 -5.415 -3.523 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -2.739 -5.391 -3.588 1.00 1.00 H new ATOM 0 HD2 PHE A 125 -0.182 -4.133 -0.424 1.00 1.05 H new ATOM 0 HE1 PHE A 125 -4.477 -3.849 -2.797 1.00 1.05 H new ATOM 0 HE2 PHE A 125 -1.904 -2.565 0.345 1.00 1.18 H new ATOM 0 HZ PHE A 125 -4.061 -2.428 -0.833 1.00 0.85 H new ATOM 1999 N LEU A 126 1.266 -8.116 -1.382 1.00 0.36 N ATOM 2000 CA LEU A 126 1.951 -8.793 -0.307 1.00 0.49 C ATOM 2001 C LEU A 126 3.080 -7.872 0.149 1.00 0.48 C ATOM 2002 O LEU A 126 3.756 -7.267 -0.688 1.00 0.49 O ATOM 2003 CB LEU A 126 2.490 -10.143 -0.828 1.00 0.68 C ATOM 2004 CG LEU A 126 2.735 -11.251 0.210 1.00 1.22 C ATOM 2005 CD1 LEU A 126 3.969 -10.964 1.051 1.00 1.98 C ATOM 2006 CD2 LEU A 126 1.512 -11.434 1.098 1.00 1.96 C ATOM 0 H LEU A 126 1.897 -7.710 -2.073 1.00 0.36 H new ATOM 0 HA LEU A 126 1.292 -9.006 0.534 1.00 0.49 H new ATOM 0 HB2 LEU A 126 1.787 -10.524 -1.569 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.429 -9.954 -1.348 1.00 0.68 H new ATOM 0 HG LEU A 126 2.913 -12.179 -0.333 1.00 1.22 H new ATOM 0 HD11 LEU A 126 4.112 -11.767 1.774 1.00 1.98 H new ATOM 0 HD12 LEU A 126 4.843 -10.899 0.404 1.00 1.98 H new ATOM 0 HD13 LEU A 126 3.838 -10.020 1.579 1.00 1.98 H new ATOM 0 HD21 LEU A 126 1.705 -12.222 1.826 1.00 1.96 H new ATOM 0 HD22 LEU A 126 1.299 -10.502 1.621 1.00 1.96 H new ATOM 0 HD23 LEU A 126 0.654 -11.709 0.484 1.00 1.96 H new ATOM 2018 N PRO A 127 3.296 -7.721 1.460 1.00 0.54 N ATOM 2019 CA PRO A 127 4.307 -6.826 1.976 1.00 0.55 C ATOM 2020 C PRO A 127 5.567 -7.560 2.421 1.00 0.53 C ATOM 2021 O PRO A 127 5.567 -8.314 3.399 1.00 0.66 O ATOM 2022 CB PRO A 127 3.593 -6.209 3.183 1.00 0.72 C ATOM 2023 CG PRO A 127 2.558 -7.219 3.609 1.00 0.81 C ATOM 2024 CD PRO A 127 2.511 -8.301 2.551 1.00 0.68 C ATOM 0 HA PRO A 127 4.655 -6.109 1.233 1.00 0.55 H new ATOM 0 HB2 PRO A 127 4.296 -6.005 3.991 1.00 0.72 H new ATOM 0 HB3 PRO A 127 3.127 -5.260 2.918 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.814 -7.644 4.580 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.582 -6.745 3.716 1.00 0.81 H new ATOM 0 HD2 PRO A 127 2.944 -9.235 2.908 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.489 -8.521 2.242 1.00 0.68 H new ATOM 2032 N LEU A 128 6.641 -7.335 1.681 1.00 0.44 N ATOM 2033 CA LEU A 128 7.920 -7.968 1.967 1.00 0.46 C ATOM 2034 C LEU A 128 8.853 -6.952 2.601 1.00 0.39 C ATOM 2035 O LEU A 128 9.107 -5.908 2.019 1.00 0.39 O ATOM 2036 CB LEU A 128 8.545 -8.516 0.678 1.00 0.56 C ATOM 2037 CG LEU A 128 7.729 -9.596 -0.036 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.367 -9.947 -1.372 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.611 -10.837 0.835 1.00 1.47 C ATOM 0 H LEU A 128 6.652 -6.714 0.872 1.00 0.44 H new ATOM 0 HA LEU A 128 7.761 -8.798 2.655 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.701 -7.687 -0.012 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.528 -8.923 0.915 1.00 0.56 H new ATOM 0 HG LEU A 128 6.728 -9.206 -0.220 1.00 0.98 H new ATOM 0 HD11 LEU A 128 7.775 -10.716 -1.867 1.00 1.34 H new ATOM 0 HD12 LEU A 128 8.406 -9.058 -2.001 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.378 -10.318 -1.206 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.028 -11.595 0.312 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.606 -11.228 1.048 1.00 1.47 H new ATOM 0 HD23 LEU A 128 7.115 -10.579 1.771 1.00 1.47 H new ATOM 2051 N PRO A 129 9.390 -7.232 3.789 1.00 0.41 N ATOM 2052 CA PRO A 129 10.214 -6.269 4.507 1.00 0.40 C ATOM 2053 C PRO A 129 11.666 -6.303 4.045 1.00 0.48 C ATOM 2054 O PRO A 129 12.185 -7.356 3.660 1.00 0.55 O ATOM 2055 CB PRO A 129 10.072 -6.738 5.947 1.00 0.48 C ATOM 2056 CG PRO A 129 9.934 -8.221 5.846 1.00 0.68 C ATOM 2057 CD PRO A 129 9.250 -8.499 4.530 1.00 0.53 C ATOM 0 HA PRO A 129 9.908 -5.235 4.350 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.942 -6.460 6.542 1.00 0.48 H new ATOM 0 HB3 PRO A 129 9.201 -6.290 6.426 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.910 -8.705 5.886 1.00 0.68 H new ATOM 0 HG3 PRO A 129 9.349 -8.614 6.678 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.722 -9.327 4.001 1.00 0.53 H new ATOM 0 HD3 PRO A 129 8.203 -8.767 4.672 1.00 0.53 H new ATOM 2065 N VAL A 130 12.317 -5.150 4.079 1.00 0.56 N ATOM 2066 CA VAL A 130 13.638 -5.014 3.515 1.00 0.76 C ATOM 2067 C VAL A 130 14.694 -5.517 4.483 1.00 0.97 C ATOM 2068 O VAL A 130 14.573 -5.366 5.700 1.00 1.03 O ATOM 2069 CB VAL A 130 13.936 -3.558 3.092 1.00 0.93 C ATOM 2070 CG1 VAL A 130 13.023 -3.140 1.948 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.793 -2.598 4.261 1.00 1.36 C ATOM 0 H VAL A 130 11.945 -4.296 4.494 1.00 0.56 H new ATOM 0 HA VAL A 130 13.670 -5.629 2.616 1.00 0.76 H new ATOM 0 HB VAL A 130 14.971 -3.516 2.752 1.00 0.93 H new ATOM 0 HG11 VAL A 130 13.246 -2.112 1.662 1.00 1.43 H new ATOM 0 HG12 VAL A 130 13.185 -3.798 1.094 1.00 1.43 H new ATOM 0 HG13 VAL A 130 11.983 -3.211 2.268 1.00 1.43 H new ATOM 0 HG21 VAL A 130 14.010 -1.583 3.927 1.00 1.36 H new ATOM 0 HG22 VAL A 130 12.774 -2.643 4.647 1.00 1.36 H new ATOM 0 HG23 VAL A 130 14.492 -2.878 5.049 1.00 1.36 H new