USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1198 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: B 43 MET CE :methyl -118:sc= -0.147 (180deg=-0.662) USER MOD Set 1.2: B 51 THR OG1 : rot 121:sc= 0.8 USER MOD Set 2.1: B 24 TYR OH : rot 80:sc= 0.849 USER MOD Set 2.2: B 45 THR OG1 : rot -77:sc= 2.05 USER MOD Set 3.1: B 44 ASN : amide:sc= -1.04 K(o=-0.8,f=-4.2!) USER MOD Set 3.2: B 52 LYS NZ :NH3+ -167:sc= 0.238 (180deg=-0.00513) USER MOD Set 4.1: A 43 MET CE :methyl -118:sc= -0.123 (180deg=-0.588) USER MOD Set 4.2: A 51 THR OG1 : rot 126:sc= 0.909 USER MOD Set 5.1: A 24 TYR OH : rot 76:sc= 0.879 USER MOD Set 5.2: A 45 THR OG1 : rot -76:sc= 2.07 USER MOD Set 6.1: A 44 ASN : amide:sc= -1.01 K(o=-0.77,f=-4.3!) USER MOD Set 6.2: A 52 LYS NZ :NH3+ -169:sc= 0.235 (180deg=-0.0205) USER MOD Set 7.1: A 13 CYS SG : rot 165:sc= -4.83! USER MOD Set 7.2: B 13 CYS SG : rot 163:sc= -4.69! USER MOD Single : A 8 THR OG1 : rot -162:sc= -2.36! USER MOD Single : A 10 THR OG1 : rot 161:sc= -0.946 USER MOD Single : A 16 SER OG : rot 63:sc= 1.25 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.8!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 33 THR OG1 : rot 8:sc= 0.75 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= 1.26 (180deg=0.963) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 74:sc= 0.766 USER MOD Single : A 63 MET CE :methyl 148:sc= -0.256 (180deg=-1.83!) USER MOD Single : A 64 MET CE :methyl -157:sc= -0.95 (180deg=-1.42) USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.17) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.78) USER MOD Single : A 71 SER OG : rot 22:sc= 0.748 USER MOD Single : A 74 GLN : amide:sc= -2.65! C(o=-2.6!,f=-6.1!) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0203 USER MOD Single : A 82 ASN : amide:sc= -1.36! K(o=-1.4!,f=-0.21) USER MOD Single : A 89 MET CE :methyl -174:sc= -1.79 (180deg=-2.09) USER MOD Single : A 91 CYS SG : rot 71:sc= 0.514 USER MOD Single : A 92 HIS : no HE2:sc= -3.57! C(o=-3!,f=-11!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -165:sc= -2.27! USER MOD Single : B 10 THR OG1 : rot 162:sc= -0.939 USER MOD Single : B 16 SER OG : rot 68:sc= 1.25 USER MOD Single : B 22 GLN : amide:sc= 0 K(o=0,f=-0.81!) USER MOD Single : B 23 LYS NZ :NH3+ 159:sc= 1.33 (180deg=1.12) USER MOD Single : B 33 THR OG1 : rot 20:sc= 0.792 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ -152:sc= 1.32 (180deg=0.944) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 74:sc= 0.75 USER MOD Single : B 63 MET CE :methyl 148:sc= -0.241 (180deg=-1.81!) USER MOD Single : B 64 MET CE :methyl -158:sc= -0.949 (180deg=-1.42) USER MOD Single : B 65 LYS NZ :NH3+ -167:sc= 1.23 (180deg=1.17) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= -0.0715 K(o=-0.071,f=-0.75) USER MOD Single : B 71 SER OG : rot 20:sc= 0.55 USER MOD Single : B 74 GLN : amide:sc= -2.57! C(o=-2.6!,f=-6!) USER MOD Single : B 78 SER OG : rot 180:sc= -0.0132 USER MOD Single : B 82 ASN : amide:sc= -1.42! K(o=-1.4!,f=-0.2) USER MOD Single : B 89 MET CE :methyl -178:sc= -1.84 (180deg=-2.15) USER MOD Single : B 91 CYS SG : rot 69:sc= 0.522 USER MOD Single : B 92 HIS : no HE2:sc= -3.39! C(o=-2.9!,f=-11!) USER MOD Single : B 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -5.972 8.657 12.513 1.00 0.69 N ATOM 94 CA PRO A 7 -6.063 7.981 11.220 1.00 0.54 C ATOM 95 C PRO A 7 -6.706 6.609 11.357 1.00 0.44 C ATOM 96 O PRO A 7 -6.847 6.083 12.463 1.00 0.56 O ATOM 97 CB PRO A 7 -4.598 7.834 10.822 1.00 0.61 C ATOM 98 CG PRO A 7 -3.913 7.635 12.120 1.00 0.75 C ATOM 99 CD PRO A 7 -4.607 8.571 13.072 1.00 0.82 C ATOM 0 HA PRO A 7 -6.671 8.524 10.497 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.446 6.988 10.152 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.230 8.720 10.304 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -3.993 6.601 12.454 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -2.850 7.864 12.045 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.611 8.182 14.090 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.122 9.546 13.105 1.00 0.82 H new ATOM 107 N THR A 8 -7.089 6.032 10.237 1.00 0.34 N ATOM 108 CA THR A 8 -7.628 4.686 10.225 1.00 0.27 C ATOM 109 C THR A 8 -6.500 3.716 9.952 1.00 0.28 C ATOM 110 O THR A 8 -5.336 4.119 9.941 1.00 0.35 O ATOM 111 CB THR A 8 -8.697 4.537 9.138 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.067 4.515 7.858 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.681 5.684 9.217 1.00 0.32 C ATOM 0 H THR A 8 -7.037 6.475 9.320 1.00 0.34 H new ATOM 0 HA THR A 8 -8.088 4.478 11.191 1.00 0.27 H new ATOM 0 HB THR A 8 -9.240 3.604 9.288 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.732 4.700 7.163 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.437 5.569 8.440 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.163 5.684 10.195 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.153 6.627 9.073 1.00 0.32 H new ATOM 121 N GLU A 9 -6.834 2.457 9.717 1.00 0.28 N ATOM 122 CA GLU A 9 -5.824 1.470 9.362 1.00 0.33 C ATOM 123 C GLU A 9 -5.059 1.941 8.141 1.00 0.36 C ATOM 124 O GLU A 9 -3.858 2.165 8.200 1.00 0.52 O ATOM 125 CB GLU A 9 -6.469 0.104 9.084 1.00 0.40 C ATOM 126 CG GLU A 9 -5.499 -0.981 8.595 1.00 0.56 C ATOM 127 CD GLU A 9 -5.087 -0.848 7.134 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.925 -0.464 6.300 1.00 2.47 O ATOM 129 OE2 GLU A 9 -3.920 -1.145 6.825 1.00 2.48 O ATOM 0 H GLU A 9 -7.787 2.096 9.765 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.137 1.358 10.200 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -6.952 -0.246 9.996 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.253 0.234 8.337 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -4.603 -0.956 9.216 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -5.962 -1.957 8.742 1.00 0.56 H new ATOM 136 N THR A 10 -5.783 2.155 7.062 1.00 0.26 N ATOM 137 CA THR A 10 -5.175 2.440 5.778 1.00 0.27 C ATOM 138 C THR A 10 -4.424 3.752 5.829 1.00 0.27 C ATOM 139 O THR A 10 -3.339 3.868 5.275 1.00 0.31 O ATOM 140 CB THR A 10 -6.219 2.443 4.633 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.847 3.372 3.610 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.613 2.768 5.152 1.00 0.25 C ATOM 0 H THR A 10 -6.803 2.137 7.049 1.00 0.26 H new ATOM 0 HA THR A 10 -4.466 1.641 5.563 1.00 0.27 H new ATOM 0 HB THR A 10 -6.240 1.440 4.208 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.322 3.154 2.781 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.321 2.762 4.323 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.910 2.021 5.888 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.607 3.754 5.617 1.00 0.25 H new ATOM 150 N GLU A 11 -4.972 4.716 6.543 1.00 0.25 N ATOM 151 CA GLU A 11 -4.351 6.022 6.633 1.00 0.27 C ATOM 152 C GLU A 11 -3.007 5.932 7.342 1.00 0.30 C ATOM 153 O GLU A 11 -1.992 6.388 6.822 1.00 0.32 O ATOM 154 CB GLU A 11 -5.270 6.996 7.354 1.00 0.29 C ATOM 155 CG GLU A 11 -6.684 6.962 6.820 1.00 0.41 C ATOM 156 CD GLU A 11 -7.563 8.055 7.397 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.252 8.548 8.504 1.00 1.85 O ATOM 158 OE2 GLU A 11 -8.578 8.411 6.764 1.00 1.71 O ATOM 0 H GLU A 11 -5.842 4.620 7.067 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.178 6.391 5.622 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.281 6.760 8.418 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.872 8.006 7.256 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.659 7.059 5.735 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.127 5.992 7.043 1.00 0.41 H new ATOM 165 N ARG A 12 -3.000 5.296 8.507 1.00 0.35 N ATOM 166 CA ARG A 12 -1.772 5.154 9.288 1.00 0.42 C ATOM 167 C ARG A 12 -0.797 4.258 8.547 1.00 0.43 C ATOM 168 O ARG A 12 0.412 4.463 8.582 1.00 0.47 O ATOM 169 CB ARG A 12 -2.056 4.590 10.696 1.00 0.48 C ATOM 170 CG ARG A 12 -2.633 3.178 10.730 1.00 0.49 C ATOM 171 CD ARG A 12 -1.545 2.117 10.667 1.00 0.56 C ATOM 172 NE ARG A 12 -0.703 2.122 11.864 1.00 1.08 N ATOM 173 CZ ARG A 12 0.581 1.767 11.879 1.00 1.35 C ATOM 174 NH1 ARG A 12 1.184 1.383 10.766 1.00 1.86 N ATOM 175 NH2 ARG A 12 1.266 1.799 13.011 1.00 1.95 N ATOM 0 H ARG A 12 -3.824 4.872 8.932 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.333 6.143 9.415 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.127 4.599 11.267 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.749 5.260 11.205 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.216 3.046 11.642 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.318 3.046 9.892 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -2.003 1.135 10.550 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -0.925 2.286 9.787 1.00 0.56 H new ATOM 0 HE ARG A 12 -1.127 2.416 12.744 1.00 1.08 H new ATOM 0 HH11 ARG A 12 0.666 1.357 9.888 1.00 1.86 H new ATOM 0 HH12 ARG A 12 2.167 1.113 10.786 1.00 1.86 H new ATOM 0 HH21 ARG A 12 0.811 2.096 13.874 1.00 1.95 H new ATOM 0 HH22 ARG A 12 2.249 1.527 13.020 1.00 1.95 H new ATOM 189 N CYS A 13 -1.351 3.280 7.855 1.00 0.42 N ATOM 190 CA CYS A 13 -0.574 2.282 7.146 1.00 0.44 C ATOM 191 C CYS A 13 0.058 2.890 5.913 1.00 0.30 C ATOM 192 O CYS A 13 1.080 2.429 5.430 1.00 0.29 O ATOM 193 CB CYS A 13 -1.489 1.108 6.798 1.00 0.57 C ATOM 194 SG CYS A 13 -1.764 -0.030 8.170 1.00 2.16 S ATOM 0 H CYS A 13 -2.360 3.155 7.769 1.00 0.42 H new ATOM 0 HA CYS A 13 0.239 1.917 7.774 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.450 1.496 6.461 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -1.057 0.558 5.962 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.783 -0.792 7.904 1.00 2.16 H new ATOM 200 N ILE A 14 -0.550 3.955 5.442 1.00 0.26 N ATOM 201 CA ILE A 14 -0.063 4.687 4.297 1.00 0.24 C ATOM 202 C ILE A 14 1.048 5.665 4.685 1.00 0.21 C ATOM 203 O ILE A 14 2.000 5.883 3.926 1.00 0.23 O ATOM 204 CB ILE A 14 -1.239 5.437 3.650 1.00 0.24 C ATOM 205 CG1 ILE A 14 -1.999 4.508 2.703 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.770 6.683 2.937 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.385 4.997 2.390 1.00 0.27 C ATOM 0 H ILE A 14 -1.403 4.340 5.847 1.00 0.26 H new ATOM 0 HA ILE A 14 0.365 3.982 3.585 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.920 5.755 4.440 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.437 4.406 1.775 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.062 3.515 3.149 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.625 7.190 2.490 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.285 7.349 3.650 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.061 6.410 2.155 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -3.874 4.296 1.714 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.961 5.073 3.312 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.327 5.977 1.917 1.00 0.27 H new ATOM 219 N GLU A 15 0.935 6.234 5.872 1.00 0.24 N ATOM 220 CA GLU A 15 1.883 7.234 6.333 1.00 0.28 C ATOM 221 C GLU A 15 3.087 6.564 6.925 1.00 0.30 C ATOM 222 O GLU A 15 4.179 7.119 6.957 1.00 0.34 O ATOM 223 CB GLU A 15 1.253 8.102 7.390 1.00 0.32 C ATOM 224 CG GLU A 15 -0.077 8.685 6.955 1.00 0.33 C ATOM 225 CD GLU A 15 -0.766 9.475 8.049 1.00 0.38 C ATOM 226 OE1 GLU A 15 -1.109 8.884 9.093 1.00 1.06 O ATOM 227 OE2 GLU A 15 -0.966 10.698 7.871 1.00 1.26 O ATOM 0 H GLU A 15 0.192 6.020 6.538 1.00 0.24 H new ATOM 0 HA GLU A 15 2.176 7.846 5.480 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.108 7.515 8.297 1.00 0.32 H new ATOM 0 HB3 GLU A 15 1.936 8.914 7.641 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.082 9.332 6.092 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.733 7.877 6.631 1.00 0.33 H new ATOM 234 N SER A 16 2.877 5.372 7.416 1.00 0.31 N ATOM 235 CA SER A 16 3.963 4.606 7.945 1.00 0.38 C ATOM 236 C SER A 16 4.864 4.163 6.805 1.00 0.29 C ATOM 237 O SER A 16 6.076 4.027 6.973 1.00 0.28 O ATOM 238 CB SER A 16 3.423 3.438 8.756 1.00 0.54 C ATOM 239 OG SER A 16 2.647 3.898 9.853 1.00 0.97 O ATOM 0 H SER A 16 1.966 4.915 7.459 1.00 0.31 H new ATOM 0 HA SER A 16 4.565 5.211 8.623 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.814 2.798 8.118 1.00 0.54 H new ATOM 0 HB3 SER A 16 4.251 2.830 9.121 1.00 0.54 H new ATOM 0 HG SER A 16 1.867 4.389 9.519 1.00 0.97 H new ATOM 245 N LEU A 17 4.270 3.990 5.626 1.00 0.27 N ATOM 246 CA LEU A 17 5.047 3.797 4.417 1.00 0.28 C ATOM 247 C LEU A 17 5.928 5.019 4.201 1.00 0.27 C ATOM 248 O LEU A 17 7.072 4.899 3.818 1.00 0.32 O ATOM 249 CB LEU A 17 4.145 3.586 3.198 1.00 0.29 C ATOM 250 CG LEU A 17 3.053 2.532 3.369 1.00 0.33 C ATOM 251 CD1 LEU A 17 2.131 2.507 2.163 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.647 1.147 3.613 1.00 0.46 C ATOM 0 H LEU A 17 3.259 3.980 5.489 1.00 0.27 H new ATOM 0 HA LEU A 17 5.659 2.903 4.534 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.674 4.536 2.946 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.769 3.305 2.349 1.00 0.29 H new ATOM 0 HG LEU A 17 2.469 2.807 4.247 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.362 1.748 2.309 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.660 3.483 2.045 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.708 2.272 1.269 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.842 0.421 3.730 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.270 0.864 2.765 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.253 1.166 4.519 1.00 0.46 H new ATOM 264 N ILE A 18 5.389 6.205 4.472 1.00 0.27 N ATOM 265 CA ILE A 18 6.166 7.437 4.377 1.00 0.30 C ATOM 266 C ILE A 18 7.401 7.344 5.272 1.00 0.28 C ATOM 267 O ILE A 18 8.485 7.766 4.885 1.00 0.30 O ATOM 268 CB ILE A 18 5.307 8.695 4.733 1.00 0.36 C ATOM 269 CG1 ILE A 18 5.257 9.661 3.556 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.836 9.434 5.951 1.00 0.47 C ATOM 271 CD1 ILE A 18 6.601 10.281 3.223 1.00 1.37 C ATOM 0 H ILE A 18 4.419 6.339 4.759 1.00 0.27 H new ATOM 0 HA ILE A 18 6.488 7.556 3.342 1.00 0.30 H new ATOM 0 HB ILE A 18 4.306 8.329 4.963 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.882 9.133 2.679 1.00 0.63 H new ATOM 0 HG13 ILE A 18 4.545 10.455 3.779 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.204 10.298 6.155 1.00 0.47 H new ATOM 0 HG22 ILE A 18 5.828 8.767 6.813 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.856 9.767 5.760 1.00 0.47 H new ATOM 0 HD11 ILE A 18 6.490 10.957 2.375 1.00 1.37 H new ATOM 0 HD12 ILE A 18 6.969 10.837 4.085 1.00 1.37 H new ATOM 0 HD13 ILE A 18 7.312 9.494 2.969 1.00 1.37 H new ATOM 283 N ALA A 19 7.233 6.734 6.439 1.00 0.25 N ATOM 284 CA ALA A 19 8.316 6.600 7.400 1.00 0.25 C ATOM 285 C ALA A 19 9.388 5.639 6.900 1.00 0.23 C ATOM 286 O ALA A 19 10.567 5.985 6.844 1.00 0.28 O ATOM 287 CB ALA A 19 7.771 6.126 8.739 1.00 0.28 C ATOM 0 H ALA A 19 6.350 6.323 6.742 1.00 0.25 H new ATOM 0 HA ALA A 19 8.777 7.580 7.525 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.590 6.029 9.451 1.00 0.28 H new ATOM 0 HB2 ALA A 19 7.048 6.850 9.114 1.00 0.28 H new ATOM 0 HB3 ALA A 19 7.284 5.159 8.612 1.00 0.28 H new ATOM 293 N VAL A 20 8.974 4.437 6.526 1.00 0.20 N ATOM 294 CA VAL A 20 9.913 3.402 6.113 1.00 0.22 C ATOM 295 C VAL A 20 10.539 3.747 4.778 1.00 0.23 C ATOM 296 O VAL A 20 11.732 3.506 4.549 1.00 0.27 O ATOM 297 CB VAL A 20 9.226 2.025 6.055 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.410 1.850 7.293 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.344 1.855 4.827 1.00 0.87 C ATOM 0 H VAL A 20 7.995 4.154 6.500 1.00 0.20 H new ATOM 0 HA VAL A 20 10.707 3.351 6.858 1.00 0.22 H new ATOM 0 HB VAL A 20 10.004 1.264 5.987 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.916 0.879 7.269 1.00 0.87 H new ATOM 0 HG12 VAL A 20 9.059 1.905 8.167 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.659 2.638 7.348 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.887 0.866 4.841 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.563 2.615 4.832 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.949 1.962 3.927 1.00 0.87 H new ATOM 309 N PHE A 21 9.739 4.349 3.912 1.00 0.23 N ATOM 310 CA PHE A 21 10.242 4.798 2.623 1.00 0.25 C ATOM 311 C PHE A 21 11.337 5.829 2.829 1.00 0.29 C ATOM 312 O PHE A 21 12.441 5.681 2.321 1.00 0.35 O ATOM 313 CB PHE A 21 9.136 5.415 1.763 1.00 0.26 C ATOM 314 CG PHE A 21 8.189 4.429 1.129 1.00 0.91 C ATOM 315 CD1 PHE A 21 7.924 3.204 1.715 1.00 1.85 C ATOM 316 CD2 PHE A 21 7.556 4.745 -0.058 1.00 1.59 C ATOM 317 CE1 PHE A 21 7.044 2.314 1.134 1.00 2.48 C ATOM 318 CE2 PHE A 21 6.676 3.862 -0.645 1.00 2.17 C ATOM 319 CZ PHE A 21 6.418 2.644 -0.048 1.00 2.40 C ATOM 0 H PHE A 21 8.750 4.537 4.075 1.00 0.23 H new ATOM 0 HA PHE A 21 10.634 3.924 2.103 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.559 6.103 2.381 1.00 0.26 H new ATOM 0 HB3 PHE A 21 9.599 6.008 0.974 1.00 0.26 H new ATOM 0 HD1 PHE A 21 8.413 2.940 2.641 1.00 1.85 H new ATOM 0 HD2 PHE A 21 7.753 5.695 -0.531 1.00 1.59 H new ATOM 0 HE1 PHE A 21 6.847 1.362 1.604 1.00 2.48 H new ATOM 0 HE2 PHE A 21 6.188 4.123 -1.572 1.00 2.17 H new ATOM 0 HZ PHE A 21 5.727 1.952 -0.506 1.00 2.40 H new ATOM 329 N GLN A 22 11.035 6.844 3.624 1.00 0.30 N ATOM 330 CA GLN A 22 11.912 7.990 3.761 1.00 0.37 C ATOM 331 C GLN A 22 13.189 7.634 4.518 1.00 0.36 C ATOM 332 O GLN A 22 14.246 8.209 4.257 1.00 0.44 O ATOM 333 CB GLN A 22 11.171 9.136 4.459 1.00 0.47 C ATOM 334 CG GLN A 22 11.159 9.034 5.973 1.00 1.12 C ATOM 335 CD GLN A 22 10.555 10.252 6.627 1.00 1.98 C ATOM 336 OE1 GLN A 22 9.354 10.309 6.879 1.00 2.68 O ATOM 337 NE2 GLN A 22 11.388 11.241 6.908 1.00 2.66 N ATOM 0 H GLN A 22 10.185 6.895 4.185 1.00 0.30 H new ATOM 0 HA GLN A 22 12.206 8.312 2.762 1.00 0.37 H new ATOM 0 HB2 GLN A 22 11.633 10.081 4.173 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.142 9.162 4.099 1.00 0.47 H new ATOM 0 HG2 GLN A 22 10.597 8.149 6.270 1.00 1.12 H new ATOM 0 HG3 GLN A 22 12.179 8.900 6.333 1.00 1.12 H new ATOM 0 HE21 GLN A 22 12.379 11.153 6.682 1.00 2.66 H new ATOM 0 HE22 GLN A 22 11.039 12.091 7.351 1.00 2.66 H new ATOM 346 N LYS A 23 13.107 6.681 5.440 1.00 0.35 N ATOM 347 CA LYS A 23 14.268 6.332 6.238 1.00 0.39 C ATOM 348 C LYS A 23 15.293 5.565 5.410 1.00 0.40 C ATOM 349 O LYS A 23 16.497 5.709 5.608 1.00 0.49 O ATOM 350 CB LYS A 23 13.861 5.533 7.479 1.00 0.41 C ATOM 351 CG LYS A 23 13.239 4.201 7.174 1.00 0.42 C ATOM 352 CD LYS A 23 12.608 3.611 8.411 1.00 0.63 C ATOM 353 CE LYS A 23 12.540 2.110 8.294 1.00 0.63 C ATOM 354 NZ LYS A 23 11.854 1.473 9.447 1.00 0.91 N ATOM 0 H LYS A 23 12.263 6.147 5.648 1.00 0.35 H new ATOM 0 HA LYS A 23 14.733 7.259 6.572 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.742 5.377 8.102 1.00 0.41 H new ATOM 0 HB3 LYS A 23 13.157 6.125 8.064 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.485 4.316 6.395 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.997 3.520 6.786 1.00 0.42 H new ATOM 0 HD2 LYS A 23 13.187 3.889 9.292 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.606 4.018 8.547 1.00 0.63 H new ATOM 0 HE2 LYS A 23 12.018 1.845 7.375 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.551 1.710 8.213 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.836 0.442 9.314 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.365 1.700 10.324 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.880 1.831 9.512 1.00 0.91 H new ATOM 368 N TYR A 24 14.825 4.740 4.483 1.00 0.36 N ATOM 369 CA TYR A 24 15.739 4.018 3.610 1.00 0.39 C ATOM 370 C TYR A 24 16.118 4.833 2.395 1.00 0.34 C ATOM 371 O TYR A 24 17.289 4.924 2.045 1.00 0.40 O ATOM 372 CB TYR A 24 15.155 2.683 3.185 1.00 0.46 C ATOM 373 CG TYR A 24 15.418 1.604 4.207 1.00 0.86 C ATOM 374 CD1 TYR A 24 14.558 1.393 5.276 1.00 1.52 C ATOM 375 CD2 TYR A 24 16.560 0.821 4.118 1.00 1.67 C ATOM 376 CE1 TYR A 24 14.829 0.424 6.223 1.00 1.83 C ATOM 377 CE2 TYR A 24 16.839 -0.141 5.063 1.00 1.99 C ATOM 378 CZ TYR A 24 15.971 -0.337 6.113 1.00 1.72 C ATOM 379 OH TYR A 24 16.255 -1.287 7.066 1.00 2.15 O ATOM 0 H TYR A 24 13.835 4.556 4.318 1.00 0.36 H new ATOM 0 HA TYR A 24 16.646 3.833 4.186 1.00 0.39 H new ATOM 0 HB2 TYR A 24 14.080 2.788 3.036 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.583 2.388 2.227 1.00 0.46 H new ATOM 0 HD1 TYR A 24 13.665 1.994 5.369 1.00 1.52 H new ATOM 0 HD2 TYR A 24 17.242 0.969 3.293 1.00 1.67 H new ATOM 0 HE1 TYR A 24 14.148 0.264 7.046 1.00 1.83 H new ATOM 0 HE2 TYR A 24 17.735 -0.739 4.981 1.00 1.99 H new ATOM 0 HH TYR A 24 15.681 -2.070 6.929 1.00 2.15 H new ATOM 389 N ALA A 25 15.132 5.429 1.759 1.00 0.29 N ATOM 390 CA ALA A 25 15.363 6.215 0.564 1.00 0.34 C ATOM 391 C ALA A 25 16.265 7.402 0.870 1.00 0.47 C ATOM 392 O ALA A 25 17.124 7.776 0.073 1.00 0.58 O ATOM 393 CB ALA A 25 14.035 6.680 0.001 1.00 0.37 C ATOM 0 H ALA A 25 14.156 5.384 2.052 1.00 0.29 H new ATOM 0 HA ALA A 25 15.866 5.597 -0.179 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.208 7.271 -0.898 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.422 5.814 -0.247 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.519 7.290 0.743 1.00 0.37 H new ATOM 399 N GLY A 26 16.081 7.954 2.063 1.00 0.49 N ATOM 400 CA GLY A 26 16.849 9.107 2.489 1.00 0.64 C ATOM 401 C GLY A 26 18.333 8.811 2.644 1.00 0.75 C ATOM 402 O GLY A 26 19.150 9.729 2.735 1.00 0.96 O ATOM 0 H GLY A 26 15.405 7.618 2.750 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.719 9.911 1.764 1.00 0.64 H new ATOM 0 HA3 GLY A 26 16.455 9.467 3.439 1.00 0.64 H new ATOM 503 N THR A 33 13.489 8.892 -3.587 1.00 0.67 N ATOM 504 CA THR A 33 13.728 7.661 -4.322 1.00 0.46 C ATOM 505 C THR A 33 14.652 6.727 -3.548 1.00 0.38 C ATOM 506 O THR A 33 15.730 7.116 -3.097 1.00 0.44 O ATOM 507 CB THR A 33 14.328 7.960 -5.711 1.00 0.45 C ATOM 508 OG1 THR A 33 14.150 9.350 -6.030 1.00 0.66 O ATOM 509 CG2 THR A 33 13.668 7.111 -6.789 1.00 0.43 C ATOM 0 HA THR A 33 12.766 7.165 -4.452 1.00 0.46 H new ATOM 0 HB THR A 33 15.390 7.718 -5.678 1.00 0.45 H new ATOM 0 HG1 THR A 33 13.797 9.823 -5.248 1.00 0.66 H new ATOM 0 HG21 THR A 33 14.111 7.343 -7.757 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.820 6.055 -6.564 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.600 7.326 -6.818 1.00 0.43 H new ATOM 517 N LEU A 34 14.198 5.500 -3.395 1.00 0.32 N ATOM 518 CA LEU A 34 14.921 4.462 -2.694 1.00 0.30 C ATOM 519 C LEU A 34 15.839 3.751 -3.660 1.00 0.31 C ATOM 520 O LEU A 34 15.393 3.008 -4.533 1.00 0.34 O ATOM 521 CB LEU A 34 13.891 3.509 -2.084 1.00 0.30 C ATOM 522 CG LEU A 34 14.031 3.257 -0.588 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.668 3.195 0.081 1.00 0.45 C ATOM 524 CD2 LEU A 34 14.790 1.974 -0.354 1.00 0.28 C ATOM 0 H LEU A 34 13.298 5.192 -3.762 1.00 0.32 H new ATOM 0 HA LEU A 34 15.541 4.874 -1.898 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.895 3.909 -2.275 1.00 0.30 H new ATOM 0 HB3 LEU A 34 13.956 2.553 -2.603 1.00 0.30 H new ATOM 0 HG LEU A 34 14.586 4.085 -0.147 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.795 3.014 1.148 1.00 0.45 H new ATOM 0 HD12 LEU A 34 12.146 4.140 -0.068 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.084 2.386 -0.357 1.00 0.45 H new ATOM 0 HD21 LEU A 34 14.887 1.799 0.717 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.251 1.144 -0.810 1.00 0.28 H new ATOM 0 HD23 LEU A 34 15.781 2.051 -0.800 1.00 0.28 H new ATOM 536 N SER A 35 17.125 4.019 -3.514 1.00 0.32 N ATOM 537 CA SER A 35 18.123 3.490 -4.418 1.00 0.33 C ATOM 538 C SER A 35 18.178 1.971 -4.305 1.00 0.32 C ATOM 539 O SER A 35 17.694 1.403 -3.325 1.00 0.30 O ATOM 540 CB SER A 35 19.482 4.126 -4.117 1.00 0.37 C ATOM 541 OG SER A 35 20.449 3.774 -5.092 1.00 0.40 O ATOM 0 H SER A 35 17.502 4.606 -2.770 1.00 0.32 H new ATOM 0 HA SER A 35 17.854 3.737 -5.445 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.377 5.210 -4.082 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.824 3.807 -3.132 1.00 0.37 H new ATOM 0 HG SER A 35 21.305 4.198 -4.872 1.00 0.40 H new ATOM 547 N LYS A 36 18.762 1.321 -5.307 1.00 0.38 N ATOM 548 CA LYS A 36 18.732 -0.133 -5.406 1.00 0.42 C ATOM 549 C LYS A 36 19.193 -0.801 -4.116 1.00 0.36 C ATOM 550 O LYS A 36 18.463 -1.595 -3.539 1.00 0.35 O ATOM 551 CB LYS A 36 19.584 -0.614 -6.577 1.00 0.53 C ATOM 552 CG LYS A 36 19.475 -2.109 -6.808 1.00 0.62 C ATOM 553 CD LYS A 36 20.296 -2.559 -8.001 1.00 0.66 C ATOM 554 CE LYS A 36 20.185 -4.061 -8.197 1.00 0.61 C ATOM 555 NZ LYS A 36 21.103 -4.562 -9.251 1.00 0.65 N ATOM 0 H LYS A 36 19.264 1.782 -6.066 1.00 0.38 H new ATOM 0 HA LYS A 36 17.695 -0.420 -5.579 1.00 0.42 H new ATOM 0 HB2 LYS A 36 19.280 -0.088 -7.482 1.00 0.53 H new ATOM 0 HB3 LYS A 36 20.626 -0.354 -6.393 1.00 0.53 H new ATOM 0 HG2 LYS A 36 19.810 -2.639 -5.916 1.00 0.62 H new ATOM 0 HG3 LYS A 36 18.430 -2.377 -6.965 1.00 0.62 H new ATOM 0 HD2 LYS A 36 19.953 -2.044 -8.899 1.00 0.66 H new ATOM 0 HD3 LYS A 36 21.340 -2.283 -7.854 1.00 0.66 H new ATOM 0 HE2 LYS A 36 20.406 -4.565 -7.256 1.00 0.61 H new ATOM 0 HE3 LYS A 36 19.159 -4.316 -8.461 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.791 -5.504 -9.564 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 21.093 -3.908 -10.059 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 22.068 -4.626 -8.869 1.00 0.65 H new ATOM 569 N THR A 37 20.385 -0.462 -3.652 1.00 0.37 N ATOM 570 CA THR A 37 20.932 -1.077 -2.451 1.00 0.38 C ATOM 571 C THR A 37 20.079 -0.757 -1.223 1.00 0.36 C ATOM 572 O THR A 37 19.963 -1.570 -0.304 1.00 0.38 O ATOM 573 CB THR A 37 22.370 -0.615 -2.205 1.00 0.44 C ATOM 574 OG1 THR A 37 23.138 -0.775 -3.405 1.00 0.48 O ATOM 575 CG2 THR A 37 23.003 -1.418 -1.079 1.00 0.49 C ATOM 0 H THR A 37 20.992 0.233 -4.086 1.00 0.37 H new ATOM 0 HA THR A 37 20.925 -2.155 -2.611 1.00 0.38 H new ATOM 0 HB THR A 37 22.356 0.436 -1.918 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.058 -0.477 -3.247 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.025 -1.076 -0.918 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.426 -1.280 -0.165 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.012 -2.475 -1.346 1.00 0.49 H new ATOM 583 N GLU A 38 19.460 0.412 -1.230 1.00 0.34 N ATOM 584 CA GLU A 38 18.598 0.823 -0.134 1.00 0.34 C ATOM 585 C GLU A 38 17.347 -0.039 -0.136 1.00 0.34 C ATOM 586 O GLU A 38 16.790 -0.358 0.912 1.00 0.48 O ATOM 587 CB GLU A 38 18.247 2.309 -0.247 1.00 0.35 C ATOM 588 CG GLU A 38 19.358 3.248 0.212 1.00 0.47 C ATOM 589 CD GLU A 38 20.720 2.906 -0.358 1.00 1.27 C ATOM 590 OE1 GLU A 38 20.928 3.093 -1.572 1.00 1.96 O ATOM 591 OE2 GLU A 38 21.588 2.438 0.407 1.00 2.16 O ATOM 0 H GLU A 38 19.539 1.094 -1.984 1.00 0.34 H new ATOM 0 HA GLU A 38 19.122 0.686 0.812 1.00 0.34 H new ATOM 0 HB2 GLU A 38 18.000 2.535 -1.284 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.352 2.506 0.344 1.00 0.35 H new ATOM 0 HG2 GLU A 38 19.100 4.268 -0.073 1.00 0.47 H new ATOM 0 HG3 GLU A 38 19.414 3.226 1.300 1.00 0.47 H new ATOM 598 N PHE A 39 16.943 -0.436 -1.334 1.00 0.29 N ATOM 599 CA PHE A 39 15.810 -1.321 -1.537 1.00 0.31 C ATOM 600 C PHE A 39 16.184 -2.729 -1.120 1.00 0.28 C ATOM 601 O PHE A 39 15.406 -3.433 -0.482 1.00 0.27 O ATOM 602 CB PHE A 39 15.422 -1.295 -3.015 1.00 0.53 C ATOM 603 CG PHE A 39 14.304 -2.222 -3.400 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.091 -2.192 -2.737 1.00 1.78 C ATOM 605 CD2 PHE A 39 14.465 -3.106 -4.451 1.00 1.76 C ATOM 606 CE1 PHE A 39 12.059 -3.024 -3.116 1.00 2.66 C ATOM 607 CE2 PHE A 39 13.439 -3.943 -4.830 1.00 2.62 C ATOM 608 CZ PHE A 39 12.234 -3.902 -4.165 1.00 2.88 C ATOM 0 H PHE A 39 17.399 -0.149 -2.200 1.00 0.29 H new ATOM 0 HA PHE A 39 14.965 -0.990 -0.934 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.136 -0.277 -3.281 1.00 0.53 H new ATOM 0 HB3 PHE A 39 16.301 -1.545 -3.609 1.00 0.53 H new ATOM 0 HD1 PHE A 39 12.950 -1.509 -1.913 1.00 1.78 H new ATOM 0 HD2 PHE A 39 15.406 -3.140 -4.981 1.00 1.76 H new ATOM 0 HE1 PHE A 39 11.115 -2.988 -2.592 1.00 2.66 H new ATOM 0 HE2 PHE A 39 13.580 -4.632 -5.650 1.00 2.62 H new ATOM 0 HZ PHE A 39 11.428 -4.556 -4.464 1.00 2.88 H new ATOM 618 N LEU A 40 17.394 -3.118 -1.486 1.00 0.33 N ATOM 619 CA LEU A 40 17.924 -4.425 -1.147 1.00 0.37 C ATOM 620 C LEU A 40 17.963 -4.595 0.362 1.00 0.40 C ATOM 621 O LEU A 40 17.527 -5.613 0.904 1.00 0.43 O ATOM 622 CB LEU A 40 19.330 -4.583 -1.722 1.00 0.43 C ATOM 623 CG LEU A 40 19.480 -4.275 -3.218 1.00 0.50 C ATOM 624 CD1 LEU A 40 20.751 -4.889 -3.772 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.265 -4.735 -4.003 1.00 0.46 C ATOM 0 H LEU A 40 18.035 -2.536 -2.026 1.00 0.33 H new ATOM 0 HA LEU A 40 17.276 -5.190 -1.575 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.004 -3.931 -1.167 1.00 0.43 H new ATOM 0 HB3 LEU A 40 19.661 -5.607 -1.546 1.00 0.43 H new ATOM 0 HG LEU A 40 19.551 -3.193 -3.328 1.00 0.50 H new ATOM 0 HD11 LEU A 40 20.835 -4.657 -4.834 1.00 1.07 H new ATOM 0 HD12 LEU A 40 21.612 -4.482 -3.243 1.00 1.07 H new ATOM 0 HD13 LEU A 40 20.721 -5.970 -3.638 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.404 -4.502 -5.059 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.140 -5.811 -3.883 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.377 -4.223 -3.632 1.00 0.46 H new ATOM 637 N SER A 41 18.484 -3.583 1.034 1.00 0.42 N ATOM 638 CA SER A 41 18.522 -3.567 2.481 1.00 0.52 C ATOM 639 C SER A 41 17.108 -3.566 3.043 1.00 0.45 C ATOM 640 O SER A 41 16.771 -4.407 3.870 1.00 0.47 O ATOM 641 CB SER A 41 19.294 -2.344 2.972 1.00 0.67 C ATOM 642 OG SER A 41 20.594 -2.310 2.405 1.00 1.40 O ATOM 0 H SER A 41 18.889 -2.757 0.594 1.00 0.42 H new ATOM 0 HA SER A 41 19.033 -4.464 2.831 1.00 0.52 H new ATOM 0 HB2 SER A 41 18.753 -1.436 2.707 1.00 0.67 H new ATOM 0 HB3 SER A 41 19.367 -2.366 4.059 1.00 0.67 H new ATOM 0 HG SER A 41 20.533 -2.051 1.462 1.00 1.40 H new ATOM 648 N PHE A 42 16.284 -2.637 2.554 1.00 0.42 N ATOM 649 CA PHE A 42 14.886 -2.519 2.968 1.00 0.46 C ATOM 650 C PHE A 42 14.177 -3.855 2.878 1.00 0.29 C ATOM 651 O PHE A 42 13.568 -4.307 3.833 1.00 0.43 O ATOM 652 CB PHE A 42 14.160 -1.516 2.071 1.00 0.80 C ATOM 653 CG PHE A 42 12.741 -1.240 2.487 1.00 1.89 C ATOM 654 CD1 PHE A 42 11.710 -2.090 2.114 1.00 2.69 C ATOM 655 CD2 PHE A 42 12.440 -0.131 3.255 1.00 2.77 C ATOM 656 CE1 PHE A 42 10.410 -1.835 2.501 1.00 3.73 C ATOM 657 CE2 PHE A 42 11.144 0.129 3.645 1.00 3.80 C ATOM 658 CZ PHE A 42 10.126 -0.725 3.268 1.00 4.13 C ATOM 0 H PHE A 42 16.568 -1.946 1.860 1.00 0.42 H new ATOM 0 HA PHE A 42 14.872 -2.178 4.003 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.716 -0.578 2.067 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.162 -1.891 1.048 1.00 0.80 H new ATOM 0 HD1 PHE A 42 11.927 -2.961 1.514 1.00 2.69 H new ATOM 0 HD2 PHE A 42 13.231 0.541 3.554 1.00 2.77 H new ATOM 0 HE1 PHE A 42 9.616 -2.504 2.203 1.00 3.73 H new ATOM 0 HE2 PHE A 42 10.925 1.000 4.245 1.00 3.80 H new ATOM 0 HZ PHE A 42 9.110 -0.524 3.573 1.00 4.13 H new ATOM 668 N MET A 43 14.243 -4.474 1.722 1.00 0.26 N ATOM 669 CA MET A 43 13.554 -5.736 1.516 1.00 0.29 C ATOM 670 C MET A 43 14.047 -6.838 2.445 1.00 0.29 C ATOM 671 O MET A 43 13.283 -7.715 2.818 1.00 0.37 O ATOM 672 CB MET A 43 13.679 -6.206 0.083 1.00 0.39 C ATOM 673 CG MET A 43 12.807 -5.434 -0.892 1.00 0.62 C ATOM 674 SD MET A 43 12.244 -6.440 -2.282 1.00 1.22 S ATOM 675 CE MET A 43 11.143 -7.589 -1.456 1.00 2.26 C ATOM 0 H MET A 43 14.761 -4.131 0.913 1.00 0.26 H new ATOM 0 HA MET A 43 12.507 -5.540 1.748 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.720 -6.120 -0.228 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.417 -7.263 0.033 1.00 0.39 H new ATOM 0 HG2 MET A 43 11.940 -5.039 -0.362 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.366 -4.579 -1.272 1.00 0.62 H new ATOM 0 HE1 MET A 43 11.518 -8.605 -1.579 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.094 -7.346 -0.394 1.00 2.26 H new ATOM 0 HE3 MET A 43 10.147 -7.515 -1.892 1.00 2.26 H new ATOM 685 N ASN A 44 15.313 -6.816 2.810 1.00 0.29 N ATOM 686 CA ASN A 44 15.845 -7.858 3.683 1.00 0.33 C ATOM 687 C ASN A 44 15.633 -7.517 5.155 1.00 0.32 C ATOM 688 O ASN A 44 15.728 -8.383 6.024 1.00 0.39 O ATOM 689 CB ASN A 44 17.320 -8.101 3.377 1.00 0.42 C ATOM 690 CG ASN A 44 18.002 -9.037 4.362 1.00 1.05 C ATOM 691 OD1 ASN A 44 17.922 -10.261 4.240 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.701 -8.469 5.330 1.00 1.83 N ATOM 0 H ASN A 44 15.987 -6.105 2.525 1.00 0.29 H new ATOM 0 HA ASN A 44 15.297 -8.779 3.486 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.410 -8.516 2.373 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.844 -7.145 3.375 1.00 0.42 H new ATOM 0 HD21 ASN A 44 19.197 -9.048 6.008 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.744 -7.452 5.399 1.00 1.83 H new ATOM 699 N THR A 45 15.324 -6.267 5.437 1.00 0.26 N ATOM 700 CA THR A 45 15.076 -5.849 6.811 1.00 0.29 C ATOM 701 C THR A 45 13.592 -5.748 7.092 1.00 0.28 C ATOM 702 O THR A 45 13.043 -6.448 7.944 1.00 0.34 O ATOM 703 CB THR A 45 15.703 -4.478 7.106 1.00 0.29 C ATOM 704 OG1 THR A 45 15.381 -3.558 6.057 1.00 0.34 O ATOM 705 CG2 THR A 45 17.210 -4.584 7.249 1.00 0.34 C ATOM 0 H THR A 45 15.238 -5.525 4.742 1.00 0.26 H new ATOM 0 HA THR A 45 15.530 -6.608 7.449 1.00 0.29 H new ATOM 0 HB THR A 45 15.294 -4.115 8.049 1.00 0.29 H new ATOM 0 HG1 THR A 45 15.940 -3.746 5.274 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.626 -3.598 7.457 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.451 -5.260 8.069 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.637 -4.970 6.323 1.00 0.34 H new ATOM 713 N GLU A 46 12.959 -4.868 6.352 1.00 0.23 N ATOM 714 CA GLU A 46 11.575 -4.535 6.552 1.00 0.25 C ATOM 715 C GLU A 46 10.660 -5.507 5.811 1.00 0.25 C ATOM 716 O GLU A 46 9.454 -5.493 6.006 1.00 0.34 O ATOM 717 CB GLU A 46 11.322 -3.105 6.077 1.00 0.29 C ATOM 718 CG GLU A 46 12.247 -2.071 6.709 1.00 0.58 C ATOM 719 CD GLU A 46 12.056 -1.936 8.208 1.00 1.17 C ATOM 720 OE1 GLU A 46 12.650 -2.729 8.969 1.00 1.70 O ATOM 721 OE2 GLU A 46 11.329 -1.017 8.640 1.00 1.68 O ATOM 0 H GLU A 46 13.399 -4.359 5.586 1.00 0.23 H new ATOM 0 HA GLU A 46 11.350 -4.612 7.616 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.437 -3.067 4.994 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.289 -2.837 6.298 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.282 -2.345 6.504 1.00 0.58 H new ATOM 0 HG3 GLU A 46 12.075 -1.103 6.239 1.00 0.58 H new ATOM 728 N LEU A 47 11.225 -6.341 4.945 1.00 0.25 N ATOM 729 CA LEU A 47 10.414 -7.300 4.202 1.00 0.26 C ATOM 730 C LEU A 47 11.027 -8.686 4.192 1.00 0.28 C ATOM 731 O LEU A 47 10.745 -9.484 3.296 1.00 0.30 O ATOM 732 CB LEU A 47 10.220 -6.833 2.767 1.00 0.26 C ATOM 733 CG LEU A 47 9.469 -5.521 2.614 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.529 -5.056 1.174 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.032 -5.693 3.080 1.00 0.27 C ATOM 0 H LEU A 47 12.224 -6.374 4.742 1.00 0.25 H new ATOM 0 HA LEU A 47 9.452 -7.357 4.711 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.199 -6.730 2.299 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.684 -7.607 2.218 1.00 0.26 H new ATOM 0 HG LEU A 47 9.938 -4.757 3.234 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.988 -4.115 1.073 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.569 -4.910 0.882 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.073 -5.808 0.530 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.498 -4.749 2.968 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.544 -6.460 2.479 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.023 -5.993 4.128 1.00 0.27 H new ATOM 747 N ALA A 48 11.890 -8.970 5.157 1.00 0.32 N ATOM 748 CA ALA A 48 12.475 -10.295 5.285 1.00 0.36 C ATOM 749 C ALA A 48 11.406 -11.387 5.384 1.00 0.39 C ATOM 750 O ALA A 48 11.680 -12.554 5.107 1.00 0.44 O ATOM 751 CB ALA A 48 13.415 -10.346 6.475 1.00 0.41 C ATOM 0 H ALA A 48 12.200 -8.301 5.862 1.00 0.32 H new ATOM 0 HA ALA A 48 13.048 -10.491 4.379 1.00 0.36 H new ATOM 0 HB1 ALA A 48 13.845 -11.344 6.557 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.214 -9.617 6.339 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.863 -10.113 7.385 1.00 0.41 H new ATOM 757 N ALA A 49 10.188 -11.008 5.768 1.00 0.38 N ATOM 758 CA ALA A 49 9.057 -11.930 5.754 1.00 0.41 C ATOM 759 C ALA A 49 8.844 -12.479 4.351 1.00 0.41 C ATOM 760 O ALA A 49 8.620 -13.672 4.161 1.00 0.47 O ATOM 761 CB ALA A 49 7.795 -11.228 6.224 1.00 0.44 C ATOM 0 H ALA A 49 9.961 -10.068 6.093 1.00 0.38 H new ATOM 0 HA ALA A 49 9.277 -12.755 6.432 1.00 0.41 H new ATOM 0 HB1 ALA A 49 6.961 -11.929 6.208 1.00 0.44 H new ATOM 0 HB2 ALA A 49 7.940 -10.860 7.240 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.577 -10.390 5.562 1.00 0.44 H new ATOM 767 N PHE A 50 8.929 -11.589 3.377 1.00 0.36 N ATOM 768 CA PHE A 50 8.762 -11.943 1.980 1.00 0.37 C ATOM 769 C PHE A 50 10.084 -12.421 1.390 1.00 0.38 C ATOM 770 O PHE A 50 10.176 -13.517 0.837 1.00 0.44 O ATOM 771 CB PHE A 50 8.261 -10.724 1.204 1.00 0.35 C ATOM 772 CG PHE A 50 8.010 -10.984 -0.257 1.00 0.70 C ATOM 773 CD1 PHE A 50 6.841 -11.598 -0.675 1.00 1.32 C ATOM 774 CD2 PHE A 50 8.944 -10.608 -1.212 1.00 1.63 C ATOM 775 CE1 PHE A 50 6.605 -11.831 -2.016 1.00 1.66 C ATOM 776 CE2 PHE A 50 8.714 -10.840 -2.554 1.00 2.09 C ATOM 777 CZ PHE A 50 7.545 -11.454 -2.957 1.00 1.80 C ATOM 0 H PHE A 50 9.116 -10.599 3.534 1.00 0.36 H new ATOM 0 HA PHE A 50 8.035 -12.751 1.904 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.338 -10.370 1.662 1.00 0.35 H new ATOM 0 HB3 PHE A 50 8.992 -9.921 1.298 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.105 -11.898 0.056 1.00 1.32 H new ATOM 0 HD2 PHE A 50 9.861 -10.129 -0.902 1.00 1.63 H new ATOM 0 HE1 PHE A 50 5.687 -12.307 -2.329 1.00 1.66 H new ATOM 0 HE2 PHE A 50 9.448 -10.541 -3.288 1.00 2.09 H new ATOM 0 HZ PHE A 50 7.365 -11.639 -4.006 1.00 1.80 H new ATOM 787 N THR A 51 11.102 -11.585 1.540 1.00 0.36 N ATOM 788 CA THR A 51 12.405 -11.800 0.931 1.00 0.40 C ATOM 789 C THR A 51 13.031 -13.131 1.338 1.00 0.45 C ATOM 790 O THR A 51 13.425 -13.928 0.486 1.00 0.54 O ATOM 791 CB THR A 51 13.348 -10.653 1.317 1.00 0.39 C ATOM 792 OG1 THR A 51 12.834 -9.419 0.810 1.00 0.39 O ATOM 793 CG2 THR A 51 14.756 -10.889 0.791 1.00 0.49 C ATOM 0 H THR A 51 11.045 -10.730 2.094 1.00 0.36 H new ATOM 0 HA THR A 51 12.257 -11.827 -0.149 1.00 0.40 H new ATOM 0 HB THR A 51 13.404 -10.608 2.405 1.00 0.39 H new ATOM 0 HG1 THR A 51 12.758 -8.771 1.541 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.397 -10.057 1.083 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.150 -11.815 1.209 1.00 0.49 H new ATOM 0 HG23 THR A 51 14.731 -10.964 -0.296 1.00 0.49 H new ATOM 801 N LYS A 52 13.094 -13.382 2.636 1.00 0.48 N ATOM 802 CA LYS A 52 13.773 -14.566 3.143 1.00 0.60 C ATOM 803 C LYS A 52 12.886 -15.790 2.975 1.00 0.69 C ATOM 804 O LYS A 52 13.293 -16.916 3.246 1.00 0.84 O ATOM 805 CB LYS A 52 14.149 -14.365 4.611 1.00 0.70 C ATOM 806 CG LYS A 52 14.831 -13.028 4.871 1.00 0.78 C ATOM 807 CD LYS A 52 16.134 -12.893 4.102 1.00 1.07 C ATOM 808 CE LYS A 52 17.268 -13.607 4.807 1.00 1.24 C ATOM 809 NZ LYS A 52 17.781 -12.825 5.962 1.00 1.82 N ATOM 0 H LYS A 52 12.686 -12.785 3.356 1.00 0.48 H new ATOM 0 HA LYS A 52 14.688 -14.725 2.572 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.250 -14.434 5.224 1.00 0.70 H new ATOM 0 HB3 LYS A 52 14.811 -15.172 4.925 1.00 0.70 H new ATOM 0 HG2 LYS A 52 14.159 -12.218 4.589 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.028 -12.923 5.938 1.00 0.78 H new ATOM 0 HD2 LYS A 52 16.011 -13.303 3.100 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.382 -11.838 3.986 1.00 1.07 H new ATOM 0 HE2 LYS A 52 16.924 -14.582 5.152 1.00 1.24 H new ATOM 0 HE3 LYS A 52 18.079 -13.787 4.101 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 18.667 -13.249 6.302 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 17.958 -11.844 5.666 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 17.077 -12.834 6.727 1.00 1.82 H new ATOM 902 N GLY A 58 18.560 -12.148 -5.566 1.00 0.67 N ATOM 903 CA GLY A 58 18.309 -11.722 -6.923 1.00 0.56 C ATOM 904 C GLY A 58 16.864 -11.337 -7.123 1.00 0.49 C ATOM 905 O GLY A 58 16.526 -10.626 -8.065 1.00 0.48 O ATOM 0 HA2 GLY A 58 18.949 -10.873 -7.163 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.572 -12.525 -7.612 1.00 0.56 H new ATOM 909 N VAL A 59 16.007 -11.806 -6.223 1.00 0.52 N ATOM 910 CA VAL A 59 14.589 -11.495 -6.283 1.00 0.52 C ATOM 911 C VAL A 59 14.351 -10.015 -6.111 1.00 0.49 C ATOM 912 O VAL A 59 13.525 -9.440 -6.803 1.00 0.49 O ATOM 913 CB VAL A 59 13.773 -12.258 -5.217 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.320 -11.996 -3.824 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.305 -11.865 -5.281 1.00 0.66 C ATOM 0 H VAL A 59 16.274 -12.405 -5.442 1.00 0.52 H new ATOM 0 HA VAL A 59 14.251 -11.813 -7.269 1.00 0.52 H new ATOM 0 HB VAL A 59 13.861 -13.323 -5.429 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.728 -12.545 -3.091 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.358 -12.326 -3.773 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.267 -10.929 -3.607 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.748 -12.414 -4.522 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.207 -10.795 -5.100 1.00 0.66 H new ATOM 0 HG23 VAL A 59 11.907 -12.104 -6.267 1.00 0.66 H new ATOM 925 N LEU A 60 15.095 -9.397 -5.209 1.00 0.48 N ATOM 926 CA LEU A 60 14.936 -7.977 -4.954 1.00 0.46 C ATOM 927 C LEU A 60 15.265 -7.204 -6.213 1.00 0.43 C ATOM 928 O LEU A 60 14.770 -6.109 -6.441 1.00 0.41 O ATOM 929 CB LEU A 60 15.842 -7.514 -3.822 1.00 0.48 C ATOM 930 CG LEU A 60 15.923 -8.455 -2.620 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.778 -7.848 -1.523 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.536 -8.776 -2.099 1.00 0.52 C ATOM 0 H LEU A 60 15.811 -9.854 -4.644 1.00 0.48 H new ATOM 0 HA LEU A 60 13.903 -7.794 -4.659 1.00 0.46 H new ATOM 0 HB2 LEU A 60 16.847 -7.372 -4.219 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.495 -6.540 -3.477 1.00 0.48 H new ATOM 0 HG LEU A 60 16.391 -9.385 -2.944 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.823 -8.533 -0.676 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.785 -7.672 -1.902 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.341 -6.903 -1.202 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.615 -9.447 -1.244 1.00 0.52 H new ATOM 0 HD22 LEU A 60 14.040 -7.855 -1.793 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.954 -9.257 -2.885 1.00 0.52 H new ATOM 944 N ASP A 61 16.093 -7.815 -7.040 1.00 0.46 N ATOM 945 CA ASP A 61 16.476 -7.226 -8.311 1.00 0.46 C ATOM 946 C ASP A 61 15.321 -7.350 -9.289 1.00 0.47 C ATOM 947 O ASP A 61 15.031 -6.442 -10.067 1.00 0.51 O ATOM 948 CB ASP A 61 17.712 -7.926 -8.875 1.00 0.47 C ATOM 949 CG ASP A 61 18.462 -7.070 -9.884 1.00 0.48 C ATOM 950 OD1 ASP A 61 17.865 -6.674 -10.910 1.00 1.22 O ATOM 951 OD2 ASP A 61 19.653 -6.778 -9.650 1.00 1.19 O ATOM 0 H ASP A 61 16.516 -8.724 -6.853 1.00 0.46 H new ATOM 0 HA ASP A 61 16.716 -6.174 -8.158 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.382 -8.186 -8.056 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.411 -8.860 -9.350 1.00 0.47 H new ATOM 956 N ARG A 62 14.645 -8.483 -9.201 1.00 0.47 N ATOM 957 CA ARG A 62 13.507 -8.782 -10.052 1.00 0.51 C ATOM 958 C ARG A 62 12.313 -7.923 -9.645 1.00 0.50 C ATOM 959 O ARG A 62 11.474 -7.568 -10.475 1.00 0.56 O ATOM 960 CB ARG A 62 13.190 -10.277 -9.956 1.00 0.55 C ATOM 961 CG ARG A 62 14.423 -11.134 -10.207 1.00 0.55 C ATOM 962 CD ARG A 62 14.196 -12.607 -9.928 1.00 0.62 C ATOM 963 NE ARG A 62 15.439 -13.365 -10.095 1.00 1.45 N ATOM 964 CZ ARG A 62 16.010 -14.106 -9.140 1.00 1.97 C ATOM 965 NH1 ARG A 62 15.384 -14.334 -7.993 1.00 1.66 N ATOM 966 NH2 ARG A 62 17.200 -14.650 -9.347 1.00 3.02 N ATOM 0 H ARG A 62 14.871 -9.223 -8.536 1.00 0.47 H new ATOM 0 HA ARG A 62 13.740 -8.547 -11.090 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.787 -10.500 -8.968 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.417 -10.532 -10.681 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.737 -11.012 -11.244 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.240 -10.775 -9.582 1.00 0.55 H new ATOM 0 HD2 ARG A 62 13.820 -12.736 -8.913 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.434 -12.996 -10.603 1.00 0.62 H new ATOM 0 HE ARG A 62 15.901 -13.324 -11.004 1.00 1.45 H new ATOM 0 HH11 ARG A 62 14.456 -13.942 -7.832 1.00 1.66 H new ATOM 0 HH12 ARG A 62 15.830 -14.901 -7.272 1.00 1.66 H new ATOM 0 HH21 ARG A 62 17.680 -14.503 -10.235 1.00 3.02 H new ATOM 0 HH22 ARG A 62 17.636 -15.215 -8.619 1.00 3.02 H new ATOM 980 N MET A 63 12.250 -7.583 -8.361 1.00 0.45 N ATOM 981 CA MET A 63 11.273 -6.620 -7.874 1.00 0.44 C ATOM 982 C MET A 63 11.663 -5.249 -8.387 1.00 0.41 C ATOM 983 O MET A 63 10.870 -4.562 -9.026 1.00 0.42 O ATOM 984 CB MET A 63 11.237 -6.556 -6.341 1.00 0.43 C ATOM 985 CG MET A 63 11.320 -7.896 -5.619 1.00 0.49 C ATOM 986 SD MET A 63 9.781 -8.848 -5.663 1.00 0.64 S ATOM 987 CE MET A 63 9.824 -9.568 -7.304 1.00 1.54 C ATOM 0 H MET A 63 12.865 -7.961 -7.640 1.00 0.45 H new ATOM 0 HA MET A 63 10.290 -6.930 -8.228 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.063 -5.931 -6.003 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.316 -6.058 -6.038 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.117 -8.490 -6.067 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.598 -7.721 -4.580 1.00 0.49 H new ATOM 0 HE1 MET A 63 9.333 -10.541 -7.287 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.306 -8.912 -8.003 1.00 1.54 H new ATOM 0 HE3 MET A 63 10.860 -9.690 -7.621 1.00 1.54 H new ATOM 997 N MET A 64 12.917 -4.889 -8.105 1.00 0.41 N ATOM 998 CA MET A 64 13.480 -3.592 -8.460 1.00 0.42 C ATOM 999 C MET A 64 13.127 -3.192 -9.883 1.00 0.44 C ATOM 1000 O MET A 64 12.544 -2.145 -10.100 1.00 0.41 O ATOM 1001 CB MET A 64 15.003 -3.619 -8.311 1.00 0.55 C ATOM 1002 CG MET A 64 15.645 -2.249 -8.411 1.00 0.65 C ATOM 1003 SD MET A 64 15.241 -1.215 -6.996 1.00 1.87 S ATOM 1004 CE MET A 64 15.978 0.332 -7.492 1.00 2.41 C ATOM 0 H MET A 64 13.574 -5.499 -7.619 1.00 0.41 H new ATOM 0 HA MET A 64 13.050 -2.857 -7.780 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.258 -4.062 -7.348 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.424 -4.266 -9.081 1.00 0.55 H new ATOM 0 HG2 MET A 64 16.727 -2.359 -8.483 1.00 0.65 H new ATOM 0 HG3 MET A 64 15.313 -1.758 -9.326 1.00 0.65 H new ATOM 0 HE1 MET A 64 16.182 0.938 -6.609 1.00 2.41 H new ATOM 0 HE2 MET A 64 16.910 0.137 -8.022 1.00 2.41 H new ATOM 0 HE3 MET A 64 15.292 0.868 -8.149 1.00 2.41 H new ATOM 1014 N LYS A 65 13.455 -4.043 -10.842 1.00 0.52 N ATOM 1015 CA LYS A 65 13.278 -3.702 -12.253 1.00 0.56 C ATOM 1016 C LYS A 65 11.806 -3.524 -12.621 1.00 0.54 C ATOM 1017 O LYS A 65 11.472 -2.720 -13.492 1.00 0.60 O ATOM 1018 CB LYS A 65 13.912 -4.770 -13.141 1.00 0.66 C ATOM 1019 CG LYS A 65 15.416 -4.896 -12.969 1.00 0.79 C ATOM 1020 CD LYS A 65 16.127 -3.586 -13.276 1.00 0.86 C ATOM 1021 CE LYS A 65 17.638 -3.766 -13.302 1.00 1.57 C ATOM 1022 NZ LYS A 65 18.178 -4.188 -11.982 1.00 2.49 N ATOM 0 H LYS A 65 13.844 -4.971 -10.675 1.00 0.52 H new ATOM 0 HA LYS A 65 13.778 -2.748 -12.419 1.00 0.56 H new ATOM 0 HB2 LYS A 65 13.449 -5.732 -12.923 1.00 0.66 H new ATOM 0 HB3 LYS A 65 13.693 -4.540 -14.184 1.00 0.66 H new ATOM 0 HG2 LYS A 65 15.642 -5.202 -11.947 1.00 0.79 H new ATOM 0 HG3 LYS A 65 15.794 -5.679 -13.627 1.00 0.79 H new ATOM 0 HD2 LYS A 65 15.788 -3.204 -14.239 1.00 0.86 H new ATOM 0 HD3 LYS A 65 15.861 -2.841 -12.526 1.00 0.86 H new ATOM 0 HE2 LYS A 65 17.900 -4.510 -14.054 1.00 1.57 H new ATOM 0 HE3 LYS A 65 18.108 -2.830 -13.602 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 19.217 -4.216 -12.025 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 17.880 -3.510 -11.252 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 17.816 -5.134 -11.745 1.00 2.49 H new ATOM 1036 N LYS A 66 10.931 -4.272 -11.964 1.00 0.50 N ATOM 1037 CA LYS A 66 9.497 -4.146 -12.198 1.00 0.52 C ATOM 1038 C LYS A 66 9.000 -2.802 -11.690 1.00 0.48 C ATOM 1039 O LYS A 66 8.163 -2.147 -12.314 1.00 0.55 O ATOM 1040 CB LYS A 66 8.739 -5.264 -11.479 1.00 0.55 C ATOM 1041 CG LYS A 66 7.225 -5.147 -11.602 1.00 0.91 C ATOM 1042 CD LYS A 66 6.498 -6.262 -10.866 1.00 0.96 C ATOM 1043 CE LYS A 66 6.847 -6.294 -9.385 1.00 0.73 C ATOM 1044 NZ LYS A 66 6.036 -7.301 -8.649 1.00 1.47 N ATOM 0 H LYS A 66 11.186 -4.971 -11.266 1.00 0.50 H new ATOM 0 HA LYS A 66 9.318 -4.221 -13.271 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.055 -6.225 -11.884 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.012 -5.257 -10.424 1.00 0.55 H new ATOM 0 HG2 LYS A 66 6.904 -4.184 -11.206 1.00 0.91 H new ATOM 0 HG3 LYS A 66 6.946 -5.168 -12.655 1.00 0.91 H new ATOM 0 HD2 LYS A 66 5.422 -6.131 -10.982 1.00 0.96 H new ATOM 0 HD3 LYS A 66 6.752 -7.220 -11.319 1.00 0.96 H new ATOM 0 HE2 LYS A 66 7.906 -6.523 -9.266 1.00 0.73 H new ATOM 0 HE3 LYS A 66 6.683 -5.308 -8.951 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 6.302 -7.293 -7.644 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 5.027 -7.069 -8.742 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 6.212 -8.246 -9.046 1.00 1.47 H new ATOM 1058 N LEU A 67 9.539 -2.403 -10.557 1.00 0.41 N ATOM 1059 CA LEU A 67 9.100 -1.206 -9.868 1.00 0.39 C ATOM 1060 C LEU A 67 9.778 0.028 -10.433 1.00 0.40 C ATOM 1061 O LEU A 67 9.151 1.074 -10.547 1.00 0.46 O ATOM 1062 CB LEU A 67 9.439 -1.336 -8.400 1.00 0.34 C ATOM 1063 CG LEU A 67 9.013 -2.653 -7.753 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.584 -2.762 -6.353 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.500 -2.781 -7.732 1.00 0.37 C ATOM 0 H LEU A 67 10.295 -2.900 -10.086 1.00 0.41 H new ATOM 0 HA LEU A 67 8.024 -1.097 -10.004 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.516 -1.221 -8.280 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.969 -0.514 -7.860 1.00 0.34 H new ATOM 0 HG LEU A 67 9.409 -3.474 -8.351 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.272 -3.705 -5.905 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.672 -2.725 -6.400 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.219 -1.934 -5.746 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.221 -3.726 -7.267 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.073 -1.956 -7.162 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.118 -2.752 -8.753 1.00 0.37 H new ATOM 1077 N ASP A 68 11.068 -0.114 -10.753 1.00 0.40 N ATOM 1078 CA ASP A 68 11.878 0.948 -11.358 1.00 0.42 C ATOM 1079 C ASP A 68 11.328 1.268 -12.738 1.00 0.52 C ATOM 1080 O ASP A 68 11.901 0.932 -13.777 1.00 0.56 O ATOM 1081 CB ASP A 68 13.348 0.494 -11.436 1.00 0.43 C ATOM 1082 CG ASP A 68 14.262 1.452 -12.184 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.276 2.661 -11.877 1.00 1.13 O ATOM 1084 OD2 ASP A 68 14.982 0.987 -13.095 1.00 1.23 O ATOM 0 H ASP A 68 11.585 -0.979 -10.597 1.00 0.40 H new ATOM 0 HA ASP A 68 11.833 1.850 -10.748 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.729 0.363 -10.423 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.389 -0.481 -11.921 1.00 0.43 H new ATOM 1089 N THR A 69 10.176 1.887 -12.714 1.00 0.59 N ATOM 1090 CA THR A 69 9.438 2.223 -13.905 1.00 0.74 C ATOM 1091 C THR A 69 10.063 3.439 -14.572 1.00 0.84 C ATOM 1092 O THR A 69 9.896 3.675 -15.771 1.00 0.99 O ATOM 1093 CB THR A 69 7.960 2.474 -13.545 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.122 2.325 -14.700 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.766 3.863 -12.961 1.00 0.83 C ATOM 0 H THR A 69 9.716 2.177 -11.851 1.00 0.59 H new ATOM 0 HA THR A 69 9.478 1.394 -14.612 1.00 0.74 H new ATOM 0 HB THR A 69 7.678 1.733 -12.797 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.188 2.487 -14.450 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.714 4.011 -12.717 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.366 3.965 -12.057 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.078 4.611 -13.690 1.00 0.83 H new ATOM 1103 N ASN A 70 10.809 4.187 -13.779 1.00 0.80 N ATOM 1104 CA ASN A 70 11.554 5.327 -14.271 1.00 0.94 C ATOM 1105 C ASN A 70 12.831 4.860 -14.946 1.00 0.86 C ATOM 1106 O ASN A 70 13.497 5.610 -15.660 1.00 0.97 O ATOM 1107 CB ASN A 70 11.887 6.247 -13.107 1.00 1.01 C ATOM 1108 CG ASN A 70 12.492 7.568 -13.545 1.00 1.25 C ATOM 1109 OD1 ASN A 70 12.201 8.073 -14.628 1.00 1.46 O ATOM 1110 ND2 ASN A 70 13.336 8.136 -12.700 1.00 1.66 N ATOM 0 H ASN A 70 10.914 4.020 -12.778 1.00 0.80 H new ATOM 0 HA ASN A 70 10.951 5.868 -15.001 1.00 0.94 H new ATOM 0 HB2 ASN A 70 10.980 6.442 -12.535 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.583 5.740 -12.439 1.00 1.01 H new ATOM 0 HD21 ASN A 70 13.773 9.027 -12.937 1.00 1.66 H new ATOM 0 HD22 ASN A 70 13.550 7.683 -11.811 1.00 1.66 H new ATOM 1117 N SER A 71 13.143 3.585 -14.704 1.00 0.70 N ATOM 1118 CA SER A 71 14.324 2.921 -15.238 1.00 0.66 C ATOM 1119 C SER A 71 15.581 3.722 -14.934 1.00 0.61 C ATOM 1120 O SER A 71 16.484 3.841 -15.763 1.00 0.65 O ATOM 1121 CB SER A 71 14.181 2.632 -16.743 1.00 0.82 C ATOM 1122 OG SER A 71 13.801 3.784 -17.479 1.00 1.47 O ATOM 0 H SER A 71 12.568 2.978 -14.120 1.00 0.70 H new ATOM 0 HA SER A 71 14.418 1.957 -14.739 1.00 0.66 H new ATOM 0 HB2 SER A 71 15.127 2.253 -17.129 1.00 0.82 H new ATOM 0 HB3 SER A 71 13.439 1.848 -16.891 1.00 0.82 H new ATOM 0 HG SER A 71 14.042 4.589 -16.974 1.00 1.47 H new ATOM 1128 N ASP A 72 15.626 4.258 -13.726 1.00 0.58 N ATOM 1129 CA ASP A 72 16.740 5.079 -13.291 1.00 0.65 C ATOM 1130 C ASP A 72 17.606 4.292 -12.324 1.00 0.56 C ATOM 1131 O ASP A 72 18.774 4.607 -12.115 1.00 0.66 O ATOM 1132 CB ASP A 72 16.222 6.354 -12.621 1.00 0.80 C ATOM 1133 CG ASP A 72 17.334 7.296 -12.203 1.00 0.93 C ATOM 1134 OD1 ASP A 72 17.825 8.053 -13.067 1.00 1.53 O ATOM 1135 OD2 ASP A 72 17.713 7.296 -11.011 1.00 1.56 O ATOM 0 H ASP A 72 14.896 4.137 -13.024 1.00 0.58 H new ATOM 0 HA ASP A 72 17.339 5.360 -14.157 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.553 6.873 -13.307 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.633 6.084 -11.744 1.00 0.80 H new ATOM 1140 N GLY A 73 17.030 3.238 -11.766 1.00 0.45 N ATOM 1141 CA GLY A 73 17.760 2.402 -10.842 1.00 0.46 C ATOM 1142 C GLY A 73 17.431 2.733 -9.407 1.00 0.41 C ATOM 1143 O GLY A 73 18.189 2.409 -8.492 1.00 0.44 O ATOM 0 H GLY A 73 16.067 2.948 -11.938 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.526 1.355 -11.036 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.830 2.526 -11.007 1.00 0.46 H new ATOM 1147 N GLN A 74 16.296 3.390 -9.212 1.00 0.38 N ATOM 1148 CA GLN A 74 15.809 3.716 -7.888 1.00 0.37 C ATOM 1149 C GLN A 74 14.305 3.549 -7.870 1.00 0.36 C ATOM 1150 O GLN A 74 13.678 3.458 -8.920 1.00 0.39 O ATOM 1151 CB GLN A 74 16.156 5.153 -7.496 1.00 0.38 C ATOM 1152 CG GLN A 74 17.633 5.492 -7.585 1.00 0.42 C ATOM 1153 CD GLN A 74 17.928 6.937 -7.234 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.246 7.544 -6.414 1.00 1.03 O ATOM 1155 NE2 GLN A 74 18.944 7.502 -7.861 1.00 1.25 N ATOM 0 H GLN A 74 15.691 3.709 -9.969 1.00 0.38 H new ATOM 0 HA GLN A 74 16.286 3.047 -7.172 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.600 5.836 -8.139 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.817 5.329 -6.475 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.192 4.839 -6.914 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.987 5.289 -8.596 1.00 0.42 H new ATOM 0 HE21 GLN A 74 19.488 6.966 -8.537 1.00 1.25 H new ATOM 0 HE22 GLN A 74 19.184 8.475 -7.670 1.00 1.25 H new ATOM 1164 N LEU A 75 13.736 3.504 -6.685 1.00 0.33 N ATOM 1165 CA LEU A 75 12.302 3.349 -6.548 1.00 0.32 C ATOM 1166 C LEU A 75 11.690 4.523 -5.838 1.00 0.32 C ATOM 1167 O LEU A 75 11.894 4.727 -4.642 1.00 0.32 O ATOM 1168 CB LEU A 75 11.966 2.082 -5.794 1.00 0.31 C ATOM 1169 CG LEU A 75 12.465 0.806 -6.451 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.986 -0.410 -5.682 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.002 0.756 -7.896 1.00 0.35 C ATOM 0 H LEU A 75 14.243 3.572 -5.802 1.00 0.33 H new ATOM 0 HA LEU A 75 11.888 3.291 -7.555 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.388 2.148 -4.791 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.884 2.018 -5.681 1.00 0.31 H new ATOM 0 HG LEU A 75 13.555 0.800 -6.437 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.353 -1.315 -6.167 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.364 -0.367 -4.661 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.896 -0.424 -5.665 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.363 -0.161 -8.362 1.00 0.35 H new ATOM 0 HD22 LEU A 75 10.913 0.776 -7.930 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.398 1.617 -8.435 1.00 0.35 H new ATOM 1183 N ASP A 76 10.938 5.287 -6.582 1.00 0.35 N ATOM 1184 CA ASP A 76 10.263 6.436 -6.040 1.00 0.36 C ATOM 1185 C ASP A 76 9.065 6.006 -5.234 1.00 0.33 C ATOM 1186 O ASP A 76 8.713 4.829 -5.204 1.00 0.32 O ATOM 1187 CB ASP A 76 9.880 7.414 -7.159 1.00 0.44 C ATOM 1188 CG ASP A 76 8.446 7.283 -7.670 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.513 7.790 -7.007 1.00 1.68 O ATOM 1190 OD2 ASP A 76 8.242 6.724 -8.762 1.00 1.45 O ATOM 0 H ASP A 76 10.776 5.132 -7.577 1.00 0.35 H new ATOM 0 HA ASP A 76 10.941 6.962 -5.368 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.029 8.432 -6.798 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.563 7.269 -7.996 1.00 0.44 H new ATOM 1195 N PHE A 77 8.484 6.972 -4.563 1.00 0.41 N ATOM 1196 CA PHE A 77 7.305 6.782 -3.746 1.00 0.49 C ATOM 1197 C PHE A 77 6.309 5.803 -4.377 1.00 0.39 C ATOM 1198 O PHE A 77 5.943 4.804 -3.765 1.00 0.39 O ATOM 1199 CB PHE A 77 6.657 8.142 -3.566 1.00 0.72 C ATOM 1200 CG PHE A 77 7.452 9.095 -2.716 1.00 1.76 C ATOM 1201 CD1 PHE A 77 8.159 8.649 -1.609 1.00 2.56 C ATOM 1202 CD2 PHE A 77 7.492 10.444 -3.030 1.00 2.66 C ATOM 1203 CE1 PHE A 77 8.886 9.530 -0.833 1.00 3.67 C ATOM 1204 CE2 PHE A 77 8.218 11.328 -2.258 1.00 3.77 C ATOM 1205 CZ PHE A 77 8.916 10.870 -1.159 1.00 4.15 C ATOM 0 H PHE A 77 8.824 7.934 -4.569 1.00 0.41 H new ATOM 0 HA PHE A 77 7.597 6.348 -2.790 1.00 0.49 H new ATOM 0 HB2 PHE A 77 6.501 8.591 -4.547 1.00 0.72 H new ATOM 0 HB3 PHE A 77 5.673 8.007 -3.117 1.00 0.72 H new ATOM 0 HD1 PHE A 77 8.141 7.600 -1.351 1.00 2.56 H new ATOM 0 HD2 PHE A 77 6.948 10.808 -3.889 1.00 2.66 H new ATOM 0 HE1 PHE A 77 9.430 9.170 0.028 1.00 3.67 H new ATOM 0 HE2 PHE A 77 8.240 12.377 -2.514 1.00 3.77 H new ATOM 0 HZ PHE A 77 9.485 11.560 -0.554 1.00 4.15 H new ATOM 1215 N SER A 78 5.901 6.086 -5.605 1.00 0.39 N ATOM 1216 CA SER A 78 4.929 5.256 -6.303 1.00 0.38 C ATOM 1217 C SER A 78 5.511 3.898 -6.704 1.00 0.38 C ATOM 1218 O SER A 78 4.816 2.885 -6.648 1.00 0.44 O ATOM 1219 CB SER A 78 4.392 5.991 -7.531 1.00 0.45 C ATOM 1220 OG SER A 78 5.437 6.549 -8.316 1.00 1.31 O ATOM 0 H SER A 78 6.230 6.889 -6.142 1.00 0.39 H new ATOM 0 HA SER A 78 4.108 5.063 -5.612 1.00 0.38 H new ATOM 0 HB2 SER A 78 3.809 5.301 -8.141 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.715 6.784 -7.212 1.00 0.45 H new ATOM 0 HG SER A 78 5.054 7.009 -9.092 1.00 1.31 H new ATOM 1226 N GLU A 79 6.782 3.873 -7.088 1.00 0.36 N ATOM 1227 CA GLU A 79 7.430 2.634 -7.498 1.00 0.42 C ATOM 1228 C GLU A 79 7.570 1.694 -6.306 1.00 0.33 C ATOM 1229 O GLU A 79 7.422 0.479 -6.426 1.00 0.33 O ATOM 1230 CB GLU A 79 8.797 2.938 -8.111 1.00 0.51 C ATOM 1231 CG GLU A 79 8.711 3.843 -9.328 1.00 0.64 C ATOM 1232 CD GLU A 79 10.066 4.250 -9.877 1.00 1.81 C ATOM 1233 OE1 GLU A 79 10.867 4.818 -9.119 1.00 2.57 O ATOM 1234 OE2 GLU A 79 10.304 4.056 -11.086 1.00 2.54 O ATOM 0 H GLU A 79 7.383 4.696 -7.124 1.00 0.36 H new ATOM 0 HA GLU A 79 6.814 2.142 -8.251 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.430 3.408 -7.359 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.279 2.002 -8.394 1.00 0.51 H new ATOM 0 HG2 GLU A 79 8.149 3.334 -10.111 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.150 4.740 -9.065 1.00 0.64 H new ATOM 1241 N PHE A 80 7.821 2.279 -5.146 1.00 0.28 N ATOM 1242 CA PHE A 80 7.934 1.525 -3.911 1.00 0.25 C ATOM 1243 C PHE A 80 6.551 1.122 -3.411 1.00 0.23 C ATOM 1244 O PHE A 80 6.405 0.177 -2.641 1.00 0.26 O ATOM 1245 CB PHE A 80 8.653 2.357 -2.856 1.00 0.31 C ATOM 1246 CG PHE A 80 9.642 1.566 -2.058 1.00 0.71 C ATOM 1247 CD1 PHE A 80 10.887 1.290 -2.580 1.00 1.60 C ATOM 1248 CD2 PHE A 80 9.330 1.097 -0.798 1.00 1.26 C ATOM 1249 CE1 PHE A 80 11.807 0.561 -1.864 1.00 1.98 C ATOM 1250 CE2 PHE A 80 10.244 0.366 -0.071 1.00 1.56 C ATOM 1251 CZ PHE A 80 11.487 0.097 -0.604 1.00 1.64 C ATOM 0 H PHE A 80 7.951 3.285 -5.035 1.00 0.28 H new ATOM 0 HA PHE A 80 8.513 0.621 -4.102 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.168 3.185 -3.344 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.916 2.793 -2.181 1.00 0.31 H new ATOM 0 HD1 PHE A 80 11.144 1.651 -3.565 1.00 1.60 H new ATOM 0 HD2 PHE A 80 8.358 1.306 -0.377 1.00 1.26 H new ATOM 0 HE1 PHE A 80 12.779 0.352 -2.287 1.00 1.98 H new ATOM 0 HE2 PHE A 80 9.988 0.005 0.914 1.00 1.56 H new ATOM 0 HZ PHE A 80 12.207 -0.475 -0.038 1.00 1.64 H new ATOM 1261 N LEU A 81 5.537 1.852 -3.841 1.00 0.25 N ATOM 1262 CA LEU A 81 4.164 1.501 -3.521 1.00 0.26 C ATOM 1263 C LEU A 81 3.655 0.426 -4.458 1.00 0.26 C ATOM 1264 O LEU A 81 2.786 -0.361 -4.095 1.00 0.27 O ATOM 1265 CB LEU A 81 3.268 2.724 -3.585 1.00 0.29 C ATOM 1266 CG LEU A 81 3.508 3.740 -2.472 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.752 5.019 -2.757 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.124 3.161 -1.110 1.00 0.29 C ATOM 0 H LEU A 81 5.638 2.691 -4.412 1.00 0.25 H new ATOM 0 HA LEU A 81 4.143 1.111 -2.503 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.413 3.216 -4.547 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.228 2.400 -3.546 1.00 0.29 H new ATOM 0 HG LEU A 81 4.572 3.973 -2.440 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.932 5.735 -1.955 1.00 0.34 H new ATOM 0 HD12 LEU A 81 3.093 5.440 -3.703 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.685 4.805 -2.819 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.305 3.905 -0.334 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.068 2.890 -1.114 1.00 0.29 H new ATOM 0 HD23 LEU A 81 3.725 2.274 -0.909 1.00 0.29 H new ATOM 1280 N ASN A 82 4.194 0.397 -5.669 1.00 0.26 N ATOM 1281 CA ASN A 82 3.941 -0.707 -6.571 1.00 0.26 C ATOM 1282 C ASN A 82 4.478 -1.976 -5.938 1.00 0.23 C ATOM 1283 O ASN A 82 3.908 -3.060 -6.070 1.00 0.25 O ATOM 1284 CB ASN A 82 4.619 -0.468 -7.923 1.00 0.30 C ATOM 1285 CG ASN A 82 3.893 0.549 -8.786 1.00 0.79 C ATOM 1286 OD1 ASN A 82 4.518 1.300 -9.538 1.00 1.51 O ATOM 1287 ND2 ASN A 82 2.570 0.566 -8.712 1.00 1.42 N ATOM 0 H ASN A 82 4.805 1.123 -6.044 1.00 0.26 H new ATOM 0 HA ASN A 82 2.869 -0.797 -6.745 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.641 -0.128 -7.754 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.682 -1.413 -8.462 1.00 0.30 H new ATOM 0 HD21 ASN A 82 2.035 1.215 -9.289 1.00 1.42 H new ATOM 0 HD22 ASN A 82 2.086 -0.070 -8.078 1.00 1.42 H new ATOM 1294 N LEU A 83 5.589 -1.808 -5.243 1.00 0.23 N ATOM 1295 CA LEU A 83 6.163 -2.852 -4.422 1.00 0.24 C ATOM 1296 C LEU A 83 5.189 -3.280 -3.344 1.00 0.23 C ATOM 1297 O LEU A 83 4.835 -4.453 -3.244 1.00 0.25 O ATOM 1298 CB LEU A 83 7.421 -2.335 -3.756 1.00 0.27 C ATOM 1299 CG LEU A 83 7.855 -3.141 -2.544 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.463 -4.469 -2.969 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.805 -2.336 -1.680 1.00 0.36 C ATOM 0 H LEU A 83 6.119 -0.937 -5.234 1.00 0.23 H new ATOM 0 HA LEU A 83 6.392 -3.705 -5.061 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.231 -2.331 -4.486 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.260 -1.300 -3.453 1.00 0.27 H new ATOM 0 HG LEU A 83 6.975 -3.365 -1.941 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.767 -5.030 -2.085 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.725 -5.045 -3.528 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.333 -4.286 -3.599 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.104 -2.931 -0.817 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.688 -2.069 -2.261 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.307 -1.428 -1.340 1.00 0.36 H new ATOM 1313 N ILE A 84 4.782 -2.311 -2.532 1.00 0.24 N ATOM 1314 CA ILE A 84 3.824 -2.539 -1.462 1.00 0.26 C ATOM 1315 C ILE A 84 2.580 -3.243 -1.999 1.00 0.27 C ATOM 1316 O ILE A 84 1.990 -4.079 -1.322 1.00 0.29 O ATOM 1317 CB ILE A 84 3.446 -1.203 -0.780 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.650 -0.620 -0.028 1.00 0.55 C ATOM 1319 CG2 ILE A 84 2.255 -1.373 0.158 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.182 -1.509 1.075 1.00 0.62 C ATOM 0 H ILE A 84 5.108 -1.347 -2.599 1.00 0.24 H new ATOM 0 HA ILE A 84 4.286 -3.185 -0.715 1.00 0.26 H new ATOM 0 HB ILE A 84 3.154 -0.502 -1.562 1.00 0.29 H new ATOM 0 HG12 ILE A 84 5.451 -0.427 -0.742 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.366 0.341 0.400 1.00 0.55 H new ATOM 0 HG21 ILE A 84 2.016 -0.415 0.620 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.394 -1.727 -0.408 1.00 0.47 H new ATOM 0 HG23 ILE A 84 2.503 -2.098 0.933 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.031 -1.024 1.556 1.00 0.62 H new ATOM 0 HD12 ILE A 84 4.398 -1.683 1.812 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.500 -2.462 0.653 1.00 0.62 H new ATOM 1332 N GLY A 85 2.216 -2.924 -3.234 1.00 0.26 N ATOM 1333 CA GLY A 85 1.117 -3.594 -3.887 1.00 0.29 C ATOM 1334 C GLY A 85 1.408 -5.060 -4.143 1.00 0.29 C ATOM 1335 O GLY A 85 0.587 -5.914 -3.839 1.00 0.33 O ATOM 0 H GLY A 85 2.670 -2.205 -3.797 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.222 -3.506 -3.271 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.902 -3.098 -4.833 1.00 0.29 H new ATOM 1339 N GLY A 86 2.600 -5.357 -4.657 1.00 0.28 N ATOM 1340 CA GLY A 86 2.949 -6.727 -4.997 1.00 0.31 C ATOM 1341 C GLY A 86 3.146 -7.560 -3.756 1.00 0.29 C ATOM 1342 O GLY A 86 2.839 -8.753 -3.725 1.00 0.35 O ATOM 0 H GLY A 86 3.332 -4.672 -4.844 1.00 0.28 H new ATOM 0 HA2 GLY A 86 2.162 -7.164 -5.611 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.861 -6.736 -5.594 1.00 0.31 H new ATOM 1346 N LEU A 87 3.656 -6.906 -2.732 1.00 0.25 N ATOM 1347 CA LEU A 87 3.797 -7.493 -1.416 1.00 0.25 C ATOM 1348 C LEU A 87 2.428 -7.800 -0.845 1.00 0.26 C ATOM 1349 O LEU A 87 2.133 -8.931 -0.451 1.00 0.29 O ATOM 1350 CB LEU A 87 4.495 -6.503 -0.497 1.00 0.25 C ATOM 1351 CG LEU A 87 5.979 -6.281 -0.752 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.423 -5.003 -0.071 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.789 -7.454 -0.233 1.00 0.35 C ATOM 0 H LEU A 87 3.987 -5.943 -2.791 1.00 0.25 H new ATOM 0 HA LEU A 87 4.380 -8.411 -1.494 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.986 -5.543 -0.578 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.371 -6.844 0.531 1.00 0.25 H new ATOM 0 HG LEU A 87 6.145 -6.197 -1.826 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.486 -4.844 -0.253 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.856 -4.162 -0.471 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.247 -5.082 1.002 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.848 -7.278 -0.424 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.627 -7.562 0.839 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.475 -8.366 -0.741 1.00 0.35 H new ATOM 1365 N ALA A 88 1.591 -6.770 -0.819 1.00 0.25 N ATOM 1366 CA ALA A 88 0.256 -6.877 -0.273 1.00 0.27 C ATOM 1367 C ALA A 88 -0.533 -7.937 -0.975 1.00 0.30 C ATOM 1368 O ALA A 88 -1.250 -8.696 -0.345 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.486 -5.566 -0.388 1.00 0.27 C ATOM 0 H ALA A 88 1.823 -5.843 -1.176 1.00 0.25 H new ATOM 0 HA ALA A 88 0.365 -7.143 0.778 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.486 -5.676 0.030 1.00 0.27 H new ATOM 0 HB2 ALA A 88 0.053 -4.793 0.160 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.561 -5.281 -1.437 1.00 0.27 H new ATOM 1375 N MET A 89 -0.410 -7.970 -2.278 1.00 0.29 N ATOM 1376 CA MET A 89 -1.149 -8.909 -3.085 1.00 0.33 C ATOM 1377 C MET A 89 -0.807 -10.340 -2.708 1.00 0.34 C ATOM 1378 O MET A 89 -1.673 -11.213 -2.695 1.00 0.39 O ATOM 1379 CB MET A 89 -0.865 -8.651 -4.555 1.00 0.35 C ATOM 1380 CG MET A 89 -1.583 -7.422 -5.079 1.00 0.42 C ATOM 1381 SD MET A 89 -1.531 -7.305 -6.879 1.00 1.03 S ATOM 1382 CE MET A 89 0.231 -7.217 -7.184 1.00 1.89 C ATOM 0 H MET A 89 0.202 -7.350 -2.808 1.00 0.29 H new ATOM 0 HA MET A 89 -2.214 -8.769 -2.901 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.209 -8.529 -4.698 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.168 -9.521 -5.138 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.622 -7.444 -4.750 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.131 -6.529 -4.647 1.00 0.42 H new ATOM 0 HE1 MET A 89 0.408 -7.035 -8.244 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.661 -6.404 -6.599 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.698 -8.159 -6.895 1.00 1.89 H new ATOM 1392 N ALA A 90 0.450 -10.560 -2.361 1.00 0.34 N ATOM 1393 CA ALA A 90 0.904 -11.871 -1.945 1.00 0.40 C ATOM 1394 C ALA A 90 0.347 -12.216 -0.565 1.00 0.42 C ATOM 1395 O ALA A 90 -0.061 -13.345 -0.312 1.00 0.49 O ATOM 1396 CB ALA A 90 2.422 -11.913 -1.942 1.00 0.46 C ATOM 0 H ALA A 90 1.175 -9.843 -2.360 1.00 0.34 H new ATOM 0 HA ALA A 90 0.537 -12.616 -2.651 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.758 -12.901 -1.628 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.794 -11.705 -2.945 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.805 -11.163 -1.250 1.00 0.46 H new ATOM 1402 N CYS A 91 0.312 -11.219 0.313 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.197 -11.398 1.670 1.00 0.47 C ATOM 1404 C CYS A 91 -1.715 -11.598 1.667 1.00 0.45 C ATOM 1405 O CYS A 91 -2.241 -12.438 2.396 1.00 0.51 O ATOM 1406 CB CYS A 91 0.182 -10.190 2.526 1.00 0.55 C ATOM 1407 SG CYS A 91 1.961 -9.869 2.579 1.00 1.76 S ATOM 0 H CYS A 91 0.632 -10.272 0.108 1.00 0.41 H new ATOM 0 HA CYS A 91 0.255 -12.294 2.095 1.00 0.47 H new ATOM 0 HB2 CYS A 91 -0.327 -9.307 2.139 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.181 -10.347 3.542 1.00 0.55 H new ATOM 0 HG CYS A 91 2.357 -9.428 1.422 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.407 -10.804 0.852 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.837 -10.965 0.620 1.00 0.46 C ATOM 1415 C HIS A 92 -4.125 -12.374 0.141 1.00 0.45 C ATOM 1416 O HIS A 92 -4.875 -13.112 0.771 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.346 -9.954 -0.424 1.00 0.54 C ATOM 1418 CG HIS A 92 -4.571 -8.563 0.101 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -3.550 -7.670 0.345 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -5.713 -7.912 0.426 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -4.051 -6.536 0.799 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -5.360 -6.658 0.857 1.00 2.62 N ATOM 0 H HIS A 92 -1.989 -10.031 0.334 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.356 -10.782 1.561 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -3.628 -9.906 -1.243 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -5.282 -10.325 -0.842 1.00 0.54 H new ATOM 0 HD1 HIS A 92 -2.558 -7.857 0.197 1.00 2.13 H new ATOM 0 HD2 HIS A 92 -6.716 -8.307 0.358 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -3.484 -5.659 1.075 1.00 2.74 H new ATOM 1431 N ASP A 93 -3.487 -12.743 -0.957 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.667 -14.057 -1.555 1.00 0.52 C ATOM 1433 C ASP A 93 -3.337 -15.157 -0.550 1.00 0.56 C ATOM 1434 O ASP A 93 -4.017 -16.179 -0.482 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.773 -14.168 -2.787 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.988 -15.443 -3.576 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -4.080 -15.610 -4.154 1.00 1.75 O ATOM 1438 OD2 ASP A 93 -2.052 -16.269 -3.642 1.00 1.48 O ATOM 0 H ASP A 93 -2.832 -12.143 -1.458 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.709 -14.180 -1.850 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.956 -13.312 -3.437 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.730 -14.114 -2.475 1.00 0.54 H new ATOM 1443 N SER A 94 -2.305 -14.918 0.249 1.00 0.54 N ATOM 1444 CA SER A 94 -1.894 -15.846 1.289 1.00 0.60 C ATOM 1445 C SER A 94 -3.012 -16.029 2.301 1.00 0.63 C ATOM 1446 O SER A 94 -3.402 -17.148 2.614 1.00 0.70 O ATOM 1447 CB SER A 94 -0.644 -15.319 2.001 1.00 0.65 C ATOM 1448 OG SER A 94 -0.085 -16.296 2.865 1.00 1.27 O ATOM 0 H SER A 94 -1.732 -14.076 0.193 1.00 0.54 H new ATOM 0 HA SER A 94 -1.668 -16.807 0.826 1.00 0.60 H new ATOM 0 HB2 SER A 94 0.098 -15.019 1.261 1.00 0.65 H new ATOM 0 HB3 SER A 94 -0.900 -14.428 2.575 1.00 0.65 H new ATOM 0 HG SER A 94 0.711 -15.929 3.302 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.545 -14.911 2.780 1.00 0.60 N ATOM 1455 CA PHE A 95 -4.555 -14.925 3.825 1.00 0.66 C ATOM 1456 C PHE A 95 -5.827 -15.591 3.323 1.00 0.72 C ATOM 1457 O PHE A 95 -6.507 -16.295 4.064 1.00 0.84 O ATOM 1458 CB PHE A 95 -4.849 -13.492 4.276 1.00 0.64 C ATOM 1459 CG PHE A 95 -5.528 -13.402 5.611 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -4.862 -13.786 6.764 1.00 1.80 C ATOM 1461 CD2 PHE A 95 -6.825 -12.931 5.717 1.00 1.30 C ATOM 1462 CE1 PHE A 95 -5.477 -13.704 7.995 1.00 2.35 C ATOM 1463 CE2 PHE A 95 -7.445 -12.846 6.948 1.00 1.76 C ATOM 1464 CZ PHE A 95 -6.770 -13.232 8.087 1.00 2.08 C ATOM 0 H PHE A 95 -3.290 -13.978 2.457 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.180 -15.497 4.674 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -3.913 -12.935 4.317 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.475 -13.007 3.527 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -3.849 -14.154 6.697 1.00 1.80 H new ATOM 0 HD2 PHE A 95 -7.358 -12.627 4.828 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -4.948 -14.009 8.886 1.00 2.35 H new ATOM 0 HE2 PHE A 95 -8.458 -12.478 7.019 1.00 1.76 H new ATOM 0 HZ PHE A 95 -7.253 -13.165 9.050 1.00 2.08 H new ATOM 1737 N PRO B 7 5.964 -8.691 12.436 1.00 0.70 N ATOM 1738 CA PRO B 7 6.075 -7.989 11.157 1.00 0.54 C ATOM 1739 C PRO B 7 6.713 -6.618 11.328 1.00 0.45 C ATOM 1740 O PRO B 7 6.833 -6.111 12.447 1.00 0.57 O ATOM 1741 CB PRO B 7 4.618 -7.834 10.739 1.00 0.62 C ATOM 1742 CG PRO B 7 3.913 -7.663 12.031 1.00 0.75 C ATOM 1743 CD PRO B 7 4.591 -8.619 12.974 1.00 0.82 C ATOM 0 HA PRO B 7 6.696 -8.519 10.435 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.476 -6.973 10.085 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.259 -8.709 10.197 1.00 0.62 H new ATOM 0 HG2 PRO B 7 3.988 -6.636 12.389 1.00 0.75 H new ATOM 0 HG3 PRO B 7 2.851 -7.890 11.934 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.578 -8.252 14.000 1.00 0.82 H new ATOM 0 HD3 PRO B 7 4.106 -9.595 12.978 1.00 0.82 H new ATOM 1751 N THR B 8 7.110 -6.020 10.226 1.00 0.34 N ATOM 1752 CA THR B 8 7.648 -4.673 10.247 1.00 0.27 C ATOM 1753 C THR B 8 6.521 -3.700 9.975 1.00 0.28 C ATOM 1754 O THR B 8 5.358 -4.107 9.939 1.00 0.34 O ATOM 1755 CB THR B 8 8.733 -4.498 9.183 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.128 -4.445 7.890 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.717 -5.647 9.256 1.00 0.33 C ATOM 0 H THR B 8 7.071 -6.445 9.300 1.00 0.34 H new ATOM 0 HA THR B 8 8.094 -4.485 11.224 1.00 0.27 H new ATOM 0 HB THR B 8 9.271 -3.567 9.363 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.815 -4.570 7.202 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.487 -5.516 8.495 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.181 -5.667 10.242 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.193 -6.587 9.083 1.00 0.33 H new ATOM 1765 N GLU B 9 6.855 -2.436 9.775 1.00 0.28 N ATOM 1766 CA GLU B 9 5.851 -1.443 9.423 1.00 0.33 C ATOM 1767 C GLU B 9 5.108 -1.892 8.181 1.00 0.36 C ATOM 1768 O GLU B 9 3.906 -2.120 8.216 1.00 0.52 O ATOM 1769 CB GLU B 9 6.498 -0.073 9.184 1.00 0.40 C ATOM 1770 CG GLU B 9 5.536 1.020 8.698 1.00 0.56 C ATOM 1771 CD GLU B 9 5.147 0.915 7.229 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.998 0.552 6.401 1.00 2.47 O ATOM 1773 OE2 GLU B 9 3.985 1.217 6.909 1.00 2.48 O ATOM 0 H GLU B 9 7.806 -2.074 9.849 1.00 0.28 H new ATOM 0 HA GLU B 9 5.149 -1.347 10.251 1.00 0.33 H new ATOM 0 HB2 GLU B 9 6.964 0.259 10.112 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.296 -0.187 8.450 1.00 0.40 H new ATOM 0 HG2 GLU B 9 4.630 0.984 9.304 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.996 1.993 8.870 1.00 0.56 H new ATOM 1780 N THR B 10 5.851 -2.082 7.108 1.00 0.26 N ATOM 1781 CA THR B 10 5.263 -2.343 5.810 1.00 0.27 C ATOM 1782 C THR B 10 4.514 -3.655 5.823 1.00 0.27 C ATOM 1783 O THR B 10 3.438 -3.763 5.250 1.00 0.31 O ATOM 1784 CB THR B 10 6.325 -2.322 4.682 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.972 -3.230 3.635 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.710 -2.656 5.216 1.00 0.26 C ATOM 0 H THR B 10 6.871 -2.060 7.111 1.00 0.26 H new ATOM 0 HA THR B 10 4.555 -1.541 5.600 1.00 0.27 H new ATOM 0 HB THR B 10 6.351 -1.310 4.278 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.472 -3.004 2.823 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.431 -2.632 4.399 1.00 0.26 H new ATOM 0 HG22 THR B 10 7.995 -1.924 5.972 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.698 -3.651 5.661 1.00 0.26 H new ATOM 1794 N GLU B 11 5.051 -4.633 6.527 1.00 0.24 N ATOM 1795 CA GLU B 11 4.431 -5.941 6.584 1.00 0.27 C ATOM 1796 C GLU B 11 3.078 -5.864 7.276 1.00 0.30 C ATOM 1797 O GLU B 11 2.069 -6.309 6.734 1.00 0.32 O ATOM 1798 CB GLU B 11 5.339 -6.928 7.302 1.00 0.29 C ATOM 1799 CG GLU B 11 6.761 -6.886 6.791 1.00 0.41 C ATOM 1800 CD GLU B 11 7.628 -7.990 7.361 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.296 -8.505 8.451 1.00 1.85 O ATOM 1802 OE2 GLU B 11 8.655 -8.335 6.739 1.00 1.71 O ATOM 0 H GLU B 11 5.913 -4.546 7.066 1.00 0.24 H new ATOM 0 HA GLU B 11 4.275 -6.291 5.564 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.334 -6.710 8.370 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.942 -7.936 7.180 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.753 -6.963 5.704 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.202 -5.921 7.039 1.00 0.41 H new ATOM 1809 N ARG B 12 3.052 -5.251 8.452 1.00 0.35 N ATOM 1810 CA ARG B 12 1.813 -5.128 9.215 1.00 0.42 C ATOM 1811 C ARG B 12 0.845 -4.221 8.477 1.00 0.43 C ATOM 1812 O ARG B 12 -0.364 -4.430 8.491 1.00 0.47 O ATOM 1813 CB ARG B 12 2.072 -4.591 10.639 1.00 0.48 C ATOM 1814 CG ARG B 12 2.650 -3.180 10.710 1.00 0.49 C ATOM 1815 CD ARG B 12 1.561 -2.119 10.649 1.00 0.56 C ATOM 1816 NE ARG B 12 0.703 -2.145 11.834 1.00 1.08 N ATOM 1817 CZ ARG B 12 -0.584 -1.800 11.834 1.00 1.34 C ATOM 1818 NH1 ARG B 12 -1.168 -1.395 10.719 1.00 1.86 N ATOM 1819 NH2 ARG B 12 -1.287 -1.857 12.957 1.00 1.95 N ATOM 0 H ARG B 12 3.869 -4.833 8.898 1.00 0.35 H new ATOM 0 HA ARG B 12 1.376 -6.122 9.315 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.133 -4.609 11.193 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.755 -5.272 11.147 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.217 -3.066 11.634 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.349 -3.032 9.887 1.00 0.49 H new ATOM 0 HD2 ARG B 12 2.019 -1.134 10.555 1.00 0.56 H new ATOM 0 HD3 ARG B 12 0.953 -2.274 9.758 1.00 0.56 H new ATOM 0 HE ARG B 12 1.117 -2.446 12.716 1.00 1.08 H new ATOM 0 HH11 ARG B 12 -0.633 -1.345 9.852 1.00 1.86 H new ATOM 0 HH12 ARG B 12 -2.154 -1.132 10.726 1.00 1.86 H new ATOM 0 HH21 ARG B 12 -0.843 -2.165 13.822 1.00 1.95 H new ATOM 0 HH22 ARG B 12 -2.272 -1.593 12.956 1.00 1.95 H new ATOM 1833 N CYS B 13 1.408 -3.229 7.812 1.00 0.42 N ATOM 1834 CA CYS B 13 0.640 -2.218 7.110 1.00 0.44 C ATOM 1835 C CYS B 13 0.030 -2.803 5.854 1.00 0.30 C ATOM 1836 O CYS B 13 -0.986 -2.336 5.365 1.00 0.29 O ATOM 1837 CB CYS B 13 1.559 -1.036 6.799 1.00 0.57 C ATOM 1838 SG CYS B 13 1.807 0.077 8.195 1.00 2.16 S ATOM 0 H CYS B 13 2.418 -3.102 7.744 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.184 -1.867 7.732 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.527 -1.416 6.473 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.141 -0.472 5.966 1.00 0.57 H new ATOM 0 HG CYS B 13 2.855 0.816 7.980 1.00 2.16 H new ATOM 1844 N ILE B 14 0.648 -3.858 5.373 1.00 0.26 N ATOM 1845 CA ILE B 14 0.180 -4.569 4.206 1.00 0.24 C ATOM 1846 C ILE B 14 -0.936 -5.554 4.557 1.00 0.21 C ATOM 1847 O ILE B 14 -1.876 -5.760 3.779 1.00 0.23 O ATOM 1848 CB ILE B 14 1.366 -5.304 3.563 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.138 -4.355 2.646 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.911 -6.536 2.820 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.530 -4.835 2.345 1.00 0.27 C ATOM 0 H ILE B 14 1.496 -4.249 5.784 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.237 -3.851 3.501 1.00 0.24 H new ATOM 0 HB ILE B 14 2.035 -5.637 4.356 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.590 -4.236 1.711 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.191 -3.371 3.112 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.774 -7.033 2.377 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.416 -7.217 3.513 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.214 -6.249 2.033 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.028 -4.120 1.690 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.092 -4.928 3.274 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.481 -5.806 1.852 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.840 -6.147 5.734 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.795 -7.154 6.159 1.00 0.28 C ATOM 1865 C GLU B 15 -3.008 -6.494 6.742 1.00 0.30 C ATOM 1866 O GLU B 15 -4.102 -7.044 6.736 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.180 -8.038 7.210 1.00 0.32 C ATOM 1868 CG GLU B 15 0.159 -8.609 6.787 1.00 0.32 C ATOM 1869 CD GLU B 15 0.831 -9.410 7.879 1.00 0.38 C ATOM 1870 OE1 GLU B 15 1.139 -8.838 8.943 1.00 1.06 O ATOM 1871 OE2 GLU B 15 1.037 -10.629 7.683 1.00 1.25 O ATOM 0 H GLU B 15 -0.107 -5.947 6.415 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.076 -7.751 5.291 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.052 -7.467 8.129 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -1.864 -8.856 7.436 1.00 0.32 H new ATOM 0 HG2 GLU B 15 0.017 -9.244 5.913 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.816 -7.794 6.485 1.00 0.32 H new ATOM 1878 N SER B 16 -2.806 -5.315 7.264 1.00 0.31 N ATOM 1879 CA SER B 16 -3.902 -4.560 7.789 1.00 0.37 C ATOM 1880 C SER B 16 -4.786 -4.098 6.644 1.00 0.28 C ATOM 1881 O SER B 16 -6.000 -3.967 6.799 1.00 0.28 O ATOM 1882 CB SER B 16 -3.378 -3.406 8.628 1.00 0.54 C ATOM 1883 OG SER B 16 -2.622 -3.884 9.730 1.00 0.97 O ATOM 0 H SER B 16 -1.895 -4.861 7.335 1.00 0.31 H new ATOM 0 HA SER B 16 -4.513 -5.179 8.446 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.758 -2.755 8.012 1.00 0.54 H new ATOM 0 HB3 SER B 16 -4.213 -2.804 8.988 1.00 0.54 H new ATOM 0 HG SER B 16 -1.797 -4.300 9.405 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.174 -3.903 5.478 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.933 -3.687 4.262 1.00 0.28 C ATOM 1891 C LEU B 17 -5.809 -4.906 4.007 1.00 0.27 C ATOM 1892 O LEU B 17 -6.946 -4.780 3.605 1.00 0.32 O ATOM 1893 CB LEU B 17 -4.012 -3.451 3.061 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.925 -2.400 3.271 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.984 -2.351 2.081 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.526 -1.020 3.532 1.00 0.46 C ATOM 0 H LEU B 17 -3.161 -3.891 5.356 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.548 -2.796 4.388 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.536 -4.395 2.798 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.623 -3.154 2.208 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.354 -2.690 4.153 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.218 -1.595 2.254 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.510 -3.324 1.951 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.547 -2.099 1.182 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.725 -0.296 3.677 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.135 -0.721 2.679 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.148 -1.057 4.426 1.00 0.46 H new ATOM 1908 N ILE B 18 -5.273 -6.096 4.266 1.00 0.27 N ATOM 1909 CA ILE B 18 -6.048 -7.325 4.135 1.00 0.30 C ATOM 1910 C ILE B 18 -7.295 -7.252 5.012 1.00 0.28 C ATOM 1911 O ILE B 18 -8.372 -7.665 4.599 1.00 0.30 O ATOM 1912 CB ILE B 18 -5.192 -8.588 4.482 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -5.121 -9.532 3.290 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.739 -9.351 5.678 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -6.459 -10.149 2.920 1.00 1.37 C ATOM 0 H ILE B 18 -4.308 -6.234 4.567 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.355 -7.423 3.094 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.196 -8.224 4.735 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.731 -8.988 2.430 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -4.412 -10.330 3.511 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -5.108 -10.218 5.876 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -5.746 -8.700 6.552 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.755 -9.683 5.464 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -6.330 -10.810 2.063 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -6.842 -10.721 3.765 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -7.166 -9.359 2.667 1.00 1.37 H new ATOM 1927 N ALA B 19 -7.146 -6.664 6.195 1.00 0.25 N ATOM 1928 CA ALA B 19 -8.243 -6.549 7.142 1.00 0.25 C ATOM 1929 C ALA B 19 -9.309 -5.582 6.642 1.00 0.23 C ATOM 1930 O ALA B 19 -10.486 -5.932 6.557 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.718 -6.099 8.501 1.00 0.28 C ATOM 0 H ALA B 19 -6.268 -6.258 6.520 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.704 -7.531 7.244 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.548 -6.016 9.202 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -7.000 -6.829 8.874 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -7.230 -5.129 8.400 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.892 -4.372 6.296 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.825 -3.331 5.889 1.00 0.22 C ATOM 1939 C VAL B 20 -10.431 -3.653 4.537 1.00 0.23 C ATOM 1940 O VAL B 20 -11.621 -3.408 4.296 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.139 -1.952 5.868 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -8.343 -1.799 7.121 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.237 -1.758 4.658 1.00 0.87 C ATOM 0 H VAL B 20 -7.913 -4.087 6.289 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.630 -3.293 6.623 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.917 -1.192 5.802 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.850 -0.827 7.122 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -9.005 -1.871 7.984 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.592 -2.587 7.173 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.782 -0.768 4.698 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.455 -2.517 4.662 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.827 -1.849 3.746 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.616 -4.235 3.674 1.00 0.22 N ATOM 1954 CA PHE B 21 -10.098 -4.661 2.368 1.00 0.25 C ATOM 1955 C PHE B 21 -11.194 -5.696 2.536 1.00 0.29 C ATOM 1956 O PHE B 21 -12.290 -5.541 2.015 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.977 -5.260 1.515 1.00 0.26 C ATOM 1958 CG PHE B 21 -8.023 -4.259 0.914 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -7.767 -3.045 1.528 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -7.370 -4.552 -0.268 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -6.882 -2.144 0.977 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -6.483 -3.657 -0.824 1.00 2.17 C ATOM 1963 CZ PHE B 21 -6.235 -2.450 -0.200 1.00 2.40 C ATOM 0 H PHE B 21 -8.629 -4.423 3.849 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.483 -3.778 1.859 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.407 -5.957 2.130 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -9.426 -5.840 0.708 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -8.268 -2.800 2.453 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -7.557 -5.494 -0.762 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -6.696 -1.200 1.467 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -5.981 -3.899 -1.749 1.00 2.17 H new ATOM 0 HZ PHE B 21 -5.537 -1.749 -0.633 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.901 -6.727 3.316 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.778 -7.878 3.416 1.00 0.37 C ATOM 1975 C GLN B 22 -13.068 -7.540 4.158 1.00 0.36 C ATOM 1976 O GLN B 22 -14.117 -8.111 3.867 1.00 0.44 O ATOM 1977 CB GLN B 22 -11.047 -9.037 4.103 1.00 0.47 C ATOM 1978 CG GLN B 22 -11.062 -8.962 5.619 1.00 1.11 C ATOM 1979 CD GLN B 22 -10.465 -10.191 6.261 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -9.267 -10.246 6.531 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -11.299 -11.187 6.508 1.00 2.65 N ATOM 0 H GLN B 22 -10.059 -6.787 3.889 1.00 0.30 H new ATOM 0 HA GLN B 22 -12.054 -8.180 2.406 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -11.503 -9.977 3.791 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.012 -9.055 3.760 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -10.508 -8.081 5.942 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -12.088 -8.837 5.964 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -12.286 -11.097 6.267 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -10.955 -12.045 6.940 1.00 2.65 H new ATOM 1990 N LYS B 23 -13.005 -6.605 5.102 1.00 0.35 N ATOM 1991 CA LYS B 23 -14.179 -6.276 5.889 1.00 0.39 C ATOM 1992 C LYS B 23 -15.194 -5.493 5.058 1.00 0.41 C ATOM 1993 O LYS B 23 -16.401 -5.642 5.238 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.793 -5.498 7.151 1.00 0.41 C ATOM 1995 CG LYS B 23 -13.169 -4.160 6.880 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.560 -3.592 8.137 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.496 -2.088 8.055 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.825 -1.473 9.230 1.00 0.91 N ATOM 0 H LYS B 23 -12.167 -6.072 5.335 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.646 -7.211 6.198 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.684 -5.354 7.763 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -13.098 -6.099 7.737 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.403 -4.260 6.111 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.922 -3.474 6.492 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -13.151 -3.891 9.003 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.559 -3.998 8.279 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.964 -1.801 7.148 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.507 -1.690 7.971 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.491 -0.520 8.980 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.499 -1.408 10.020 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -11.015 -2.060 9.514 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.713 -4.648 4.156 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.613 -3.909 3.283 1.00 0.39 C ATOM 2014 C TYR B 24 -15.972 -4.700 2.044 1.00 0.34 C ATOM 2015 O TYR B 24 -17.136 -4.782 1.671 1.00 0.40 O ATOM 2016 CB TYR B 24 -15.026 -2.565 2.895 1.00 0.46 C ATOM 2017 CG TYR B 24 -15.307 -1.507 3.934 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -14.464 -1.315 5.019 1.00 1.52 C ATOM 2019 CD2 TYR B 24 -16.448 -0.724 3.843 1.00 1.66 C ATOM 2020 CE1 TYR B 24 -14.750 -0.365 5.981 1.00 1.83 C ATOM 2021 CE2 TYR B 24 -16.745 0.220 4.803 1.00 1.99 C ATOM 2022 CZ TYR B 24 -15.893 0.397 5.869 1.00 1.71 C ATOM 2023 OH TYR B 24 -16.192 1.330 6.833 1.00 2.15 O ATOM 0 H TYR B 24 -13.721 -4.459 4.011 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.529 -3.737 3.849 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.949 -2.665 2.760 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.439 -2.251 1.936 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -13.572 -1.916 5.113 1.00 1.52 H new ATOM 0 HD2 TYR B 24 -17.116 -0.856 3.005 1.00 1.66 H new ATOM 0 HE1 TYR B 24 -14.081 -0.220 6.817 1.00 1.83 H new ATOM 0 HE2 TYR B 24 -17.641 0.817 4.719 1.00 1.99 H new ATOM 0 HH TYR B 24 -15.662 2.140 6.680 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.973 -5.284 1.416 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.183 -6.045 0.201 1.00 0.34 C ATOM 2035 C ALA B 25 -16.086 -7.238 0.470 1.00 0.47 C ATOM 2036 O ALA B 25 -16.934 -7.596 -0.348 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.847 -6.497 -0.351 1.00 0.37 C ATOM 0 H ALA B 25 -14.003 -5.246 1.728 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.674 -5.412 -0.538 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -14.006 -7.069 -1.265 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.231 -5.625 -0.571 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.342 -7.122 0.385 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.921 -7.813 1.654 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.690 -8.976 2.047 1.00 0.64 C ATOM 2045 C GLY B 26 -18.175 -8.685 2.189 1.00 0.76 C ATOM 2046 O GLY B 26 -18.987 -9.608 2.265 1.00 0.96 O ATOM 0 H GLY B 26 -15.258 -7.488 2.358 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -16.549 -9.765 1.308 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -16.307 -9.355 2.995 1.00 0.64 H new ATOM 2147 N THR B 33 -13.237 -8.639 -3.968 1.00 0.66 N ATOM 2148 CA THR B 33 -13.465 -7.393 -4.682 1.00 0.45 C ATOM 2149 C THR B 33 -14.404 -6.476 -3.907 1.00 0.37 C ATOM 2150 O THR B 33 -15.490 -6.873 -3.484 1.00 0.44 O ATOM 2151 CB THR B 33 -14.041 -7.667 -6.085 1.00 0.45 C ATOM 2152 OG1 THR B 33 -13.853 -9.051 -6.426 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.367 -6.795 -7.136 1.00 0.43 C ATOM 0 HA THR B 33 -12.502 -6.892 -4.785 1.00 0.45 H new ATOM 0 HB THR B 33 -15.104 -7.429 -6.066 1.00 0.45 H new ATOM 0 HG1 THR B 33 -13.699 -9.571 -5.610 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.794 -7.010 -8.116 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.526 -5.744 -6.894 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.298 -7.005 -7.152 1.00 0.43 H new ATOM 2161 N LEU B 34 -13.955 -5.251 -3.723 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.692 -4.227 -3.014 1.00 0.30 C ATOM 2163 C LEU B 34 -15.596 -3.501 -3.982 1.00 0.31 C ATOM 2164 O LEU B 34 -15.138 -2.744 -4.836 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.675 -3.284 -2.369 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.838 -3.062 -0.871 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.486 -3.011 -0.179 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.604 -1.786 -0.626 1.00 0.28 C ATOM 0 H LEU B 34 -13.049 -4.934 -4.069 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.324 -4.655 -2.236 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.675 -3.677 -2.553 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.735 -2.318 -2.870 1.00 0.29 H new ATOM 0 HG LEU B 34 -14.396 -3.900 -0.453 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.630 -2.852 0.890 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.960 -3.952 -0.338 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -11.897 -2.192 -0.592 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.719 -1.631 0.447 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.060 -0.946 -1.058 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.588 -1.858 -1.089 1.00 0.28 H new ATOM 2180 N SER B 35 -16.884 -3.774 -3.862 1.00 0.31 N ATOM 2181 CA SER B 35 -17.867 -3.228 -4.771 1.00 0.33 C ATOM 2182 C SER B 35 -17.928 -1.711 -4.629 1.00 0.32 C ATOM 2183 O SER B 35 -17.461 -1.162 -3.629 1.00 0.30 O ATOM 2184 CB SER B 35 -19.228 -3.872 -4.508 1.00 0.37 C ATOM 2185 OG SER B 35 -20.178 -3.504 -5.494 1.00 0.40 O ATOM 0 H SER B 35 -17.272 -4.376 -3.136 1.00 0.31 H new ATOM 0 HA SER B 35 -17.579 -3.453 -5.798 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.121 -4.957 -4.492 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.589 -3.572 -3.524 1.00 0.37 H new ATOM 0 HG SER B 35 -21.037 -3.934 -5.298 1.00 0.40 H new ATOM 2191 N LYS B 36 -18.502 -1.045 -5.625 1.00 0.38 N ATOM 2192 CA LYS B 36 -18.470 0.410 -5.697 1.00 0.42 C ATOM 2193 C LYS B 36 -18.952 1.055 -4.403 1.00 0.36 C ATOM 2194 O LYS B 36 -18.232 1.839 -3.798 1.00 0.35 O ATOM 2195 CB LYS B 36 -19.303 0.915 -6.873 1.00 0.53 C ATOM 2196 CG LYS B 36 -19.191 2.414 -7.071 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.994 2.887 -8.266 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.886 4.392 -8.429 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.788 4.910 -9.487 1.00 0.65 N ATOM 0 H LYS B 36 -18.997 -1.493 -6.396 1.00 0.38 H new ATOM 0 HA LYS B 36 -17.430 0.698 -5.848 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -18.983 0.408 -7.783 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -20.348 0.651 -6.712 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -19.539 2.926 -6.174 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -18.144 2.685 -7.207 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -19.636 2.393 -9.169 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -21.039 2.605 -8.142 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -20.125 4.876 -7.482 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.857 4.656 -8.671 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.383 5.777 -9.894 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.894 4.194 -10.234 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.719 5.122 -9.076 1.00 0.65 H new ATOM 2213 N THR B 37 -20.151 0.704 -3.964 1.00 0.37 N ATOM 2214 CA THR B 37 -20.719 1.295 -2.761 1.00 0.38 C ATOM 2215 C THR B 37 -19.885 0.954 -1.526 1.00 0.36 C ATOM 2216 O THR B 37 -19.785 1.749 -0.589 1.00 0.38 O ATOM 2217 CB THR B 37 -22.161 0.823 -2.546 1.00 0.44 C ATOM 2218 OG1 THR B 37 -22.911 1.003 -3.755 1.00 0.47 O ATOM 2219 CG2 THR B 37 -22.810 1.606 -1.417 1.00 0.49 C ATOM 0 H THR B 37 -20.748 0.015 -4.421 1.00 0.37 H new ATOM 0 HA THR B 37 -20.713 2.376 -2.901 1.00 0.38 H new ATOM 0 HB THR B 37 -22.151 -0.234 -2.278 1.00 0.44 H new ATOM 0 HG1 THR B 37 -23.832 0.699 -3.617 1.00 0.47 H new ATOM 0 HG21 THR B 37 -23.834 1.260 -1.276 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.245 1.454 -0.497 1.00 0.49 H new ATOM 0 HG23 THR B 37 -22.817 2.667 -1.667 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.261 -0.213 -1.546 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.416 -0.645 -0.445 1.00 0.33 C ATOM 2229 C GLU B 38 -17.166 0.218 -0.410 1.00 0.33 C ATOM 2230 O GLU B 38 -16.628 0.520 0.653 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.058 -2.127 -0.579 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.173 -3.077 -0.151 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.527 -2.725 -0.728 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -20.718 -2.877 -1.949 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -21.406 -2.283 0.041 1.00 2.16 O ATOM 0 H GLU B 38 -19.324 -0.880 -2.315 1.00 0.34 H new ATOM 0 HA GLU B 38 -18.958 -0.527 0.493 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.797 -2.334 -1.617 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.171 -2.331 0.020 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -18.911 -4.091 -0.454 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.240 -3.077 0.937 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.743 0.637 -1.594 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.609 1.529 -1.761 1.00 0.31 C ATOM 2244 C PHE B 39 -15.993 2.927 -1.323 1.00 0.28 C ATOM 2245 O PHE B 39 -15.227 3.620 -0.657 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.198 1.532 -3.233 1.00 0.53 C ATOM 2247 CG PHE B 39 -14.077 2.468 -3.580 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -12.875 2.426 -2.900 1.00 1.78 C ATOM 2249 CD2 PHE B 39 -14.222 3.372 -4.617 1.00 1.76 C ATOM 2250 CE1 PHE B 39 -11.838 3.268 -3.247 1.00 2.66 C ATOM 2251 CE2 PHE B 39 -13.192 4.218 -4.965 1.00 2.61 C ATOM 2252 CZ PHE B 39 -11.997 4.165 -4.281 1.00 2.87 C ATOM 0 H PHE B 39 -17.183 0.364 -2.473 1.00 0.29 H new ATOM 0 HA PHE B 39 -14.773 1.189 -1.150 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -14.906 0.520 -3.515 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -16.068 1.792 -3.836 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -12.745 1.726 -2.088 1.00 1.78 H new ATOM 0 HD2 PHE B 39 -15.154 3.415 -5.161 1.00 1.76 H new ATOM 0 HE1 PHE B 39 -10.903 3.224 -2.709 1.00 2.66 H new ATOM 0 HE2 PHE B 39 -13.321 4.922 -5.773 1.00 2.61 H new ATOM 0 HZ PHE B 39 -11.187 4.825 -4.555 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.198 3.319 -1.700 1.00 0.33 N ATOM 2263 CA LEU B 40 -17.736 4.620 -1.345 1.00 0.37 C ATOM 2264 C LEU B 40 -17.800 4.762 0.167 1.00 0.40 C ATOM 2265 O LEU B 40 -17.382 5.774 0.733 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.133 4.788 -1.939 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.261 4.509 -3.443 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -20.526 5.134 -4.005 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.034 4.985 -4.200 1.00 0.46 C ATOM 0 H LEU B 40 -17.829 2.746 -2.259 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.082 5.393 -1.748 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -19.815 4.125 -1.407 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.467 5.808 -1.749 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.331 3.429 -3.575 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -20.593 4.922 -5.072 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -21.395 4.717 -3.496 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -20.499 6.213 -3.850 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.157 4.773 -5.262 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -17.912 6.059 -4.056 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.152 4.466 -3.826 1.00 0.46 H new ATOM 2281 N SER B 41 -18.330 3.735 0.813 1.00 0.42 N ATOM 2282 CA SER B 41 -18.390 3.692 2.261 1.00 0.52 C ATOM 2283 C SER B 41 -16.984 3.682 2.843 1.00 0.45 C ATOM 2284 O SER B 41 -16.658 4.508 3.689 1.00 0.47 O ATOM 2285 CB SER B 41 -19.168 2.457 2.715 1.00 0.67 C ATOM 2286 OG SER B 41 -20.459 2.433 2.131 1.00 1.40 O ATOM 0 H SER B 41 -18.726 2.916 0.351 1.00 0.42 H new ATOM 0 HA SER B 41 -18.907 4.581 2.623 1.00 0.52 H new ATOM 0 HB2 SER B 41 -18.622 1.555 2.438 1.00 0.67 H new ATOM 0 HB3 SER B 41 -19.255 2.456 3.801 1.00 0.67 H new ATOM 0 HG SER B 41 -20.385 2.194 1.184 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.151 2.763 2.348 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.759 2.640 2.781 1.00 0.46 C ATOM 2294 C PHE B 42 -14.051 3.978 2.728 1.00 0.29 C ATOM 2295 O PHE B 42 -13.454 4.412 3.699 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.018 1.655 1.877 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.605 1.374 2.310 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.569 2.234 1.970 1.00 2.69 C ATOM 2299 CD2 PHE B 42 -12.313 0.251 3.061 1.00 2.77 C ATOM 2300 CE1 PHE B 42 -10.276 1.974 2.373 1.00 3.73 C ATOM 2301 CE2 PHE B 42 -11.023 -0.013 3.466 1.00 3.80 C ATOM 2302 CZ PHE B 42 -10.001 0.849 3.122 1.00 4.13 C ATOM 0 H PHE B 42 -16.423 2.085 1.637 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.760 2.280 3.810 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.572 0.717 1.848 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.005 2.049 0.861 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -11.778 3.116 1.383 1.00 2.69 H new ATOM 0 HD2 PHE B 42 -13.107 -0.429 3.334 1.00 2.77 H new ATOM 0 HE1 PHE B 42 -9.479 2.651 2.102 1.00 3.73 H new ATOM 0 HE2 PHE B 42 -10.811 -0.895 4.053 1.00 3.80 H new ATOM 0 HZ PHE B 42 -8.989 0.643 3.438 1.00 4.13 H new ATOM 2312 N MET B 43 -14.102 4.619 1.583 1.00 0.26 N ATOM 2313 CA MET B 43 -13.411 5.886 1.411 1.00 0.29 C ATOM 2314 C MET B 43 -13.923 6.968 2.355 1.00 0.29 C ATOM 2315 O MET B 43 -13.167 7.839 2.757 1.00 0.37 O ATOM 2316 CB MET B 43 -13.514 6.384 -0.014 1.00 0.38 C ATOM 2317 CG MET B 43 -12.626 5.634 -0.990 1.00 0.62 C ATOM 2318 SD MET B 43 -12.041 6.668 -2.349 1.00 1.22 S ATOM 2319 CE MET B 43 -10.958 7.803 -1.484 1.00 2.25 C ATOM 0 H MET B 43 -14.609 4.292 0.761 1.00 0.26 H new ATOM 0 HA MET B 43 -12.367 5.688 1.653 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.550 6.303 -0.343 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.253 7.442 -0.039 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.768 5.228 -0.454 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.177 4.786 -1.397 1.00 0.62 H new ATOM 0 HE1 MET B 43 -11.334 8.820 -1.595 1.00 2.25 H new ATOM 0 HE2 MET B 43 -10.926 7.541 -0.426 1.00 2.25 H new ATOM 0 HE3 MET B 43 -9.954 7.740 -1.904 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.195 6.937 2.697 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.742 7.960 3.582 1.00 0.33 C ATOM 2331 C ASN B 44 -15.550 7.593 5.050 1.00 0.32 C ATOM 2332 O ASN B 44 -15.662 8.439 5.932 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.213 8.208 3.260 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.908 9.126 4.255 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.819 10.350 4.160 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.625 8.541 5.202 1.00 1.83 N ATOM 0 H ASN B 44 -15.863 6.232 2.386 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.192 8.885 3.410 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.290 8.642 2.263 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.737 7.252 3.233 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -19.128 9.108 5.885 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.675 7.523 5.249 1.00 1.83 H new ATOM 2343 N THR B 45 -15.242 6.338 5.313 1.00 0.27 N ATOM 2344 CA THR B 45 -15.015 5.897 6.682 1.00 0.29 C ATOM 2345 C THR B 45 -13.536 5.793 6.986 1.00 0.28 C ATOM 2346 O THR B 45 -13.002 6.483 7.857 1.00 0.34 O ATOM 2347 CB THR B 45 -15.643 4.521 6.942 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.303 3.623 5.881 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.152 4.622 7.062 1.00 0.34 C ATOM 0 H THR B 45 -15.143 5.609 4.607 1.00 0.27 H new ATOM 0 HA THR B 45 -15.480 6.644 7.325 1.00 0.29 H new ATOM 0 HB THR B 45 -15.249 4.141 7.884 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.861 3.815 5.099 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.569 3.632 7.246 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.408 5.283 7.890 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.565 5.023 6.136 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.887 4.927 6.242 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.507 4.592 6.459 1.00 0.25 C ATOM 2359 C GLU B 46 -10.583 5.581 5.751 1.00 0.25 C ATOM 2360 O GLU B 46 -9.382 5.566 5.967 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.243 3.173 5.958 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.176 2.123 6.547 1.00 0.57 C ATOM 2363 CD GLU B 46 -12.010 1.949 8.045 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -12.630 2.715 8.810 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -11.277 1.028 8.463 1.00 1.68 O ATOM 0 H GLU B 46 -13.313 4.431 5.459 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.300 4.647 7.528 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.337 3.159 4.872 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.214 2.902 6.193 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.208 2.402 6.332 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -11.995 1.168 6.054 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.136 6.429 4.892 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.315 7.403 4.178 1.00 0.26 C ATOM 2374 C LEU B 47 -10.930 8.788 4.186 1.00 0.28 C ATOM 2375 O LEU B 47 -10.632 9.604 3.314 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.099 6.965 2.738 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.342 5.659 2.571 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.379 5.221 1.122 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.912 5.823 3.063 1.00 0.28 C ATOM 0 H LEU B 47 -12.132 6.464 4.674 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.360 7.451 4.701 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.071 6.869 2.254 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.557 7.751 2.212 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.819 4.883 3.170 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.834 4.284 1.011 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.414 5.078 0.812 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.916 5.986 0.499 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.375 4.882 2.940 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.416 6.603 2.485 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -7.919 6.102 4.117 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.808 9.051 5.142 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.398 10.373 5.288 1.00 0.37 C ATOM 2393 C ALA B 48 -11.331 11.463 5.429 1.00 0.39 C ATOM 2394 O ALA B 48 -11.606 12.636 5.186 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.354 10.395 6.464 1.00 0.41 C ATOM 0 H ALA B 48 -12.128 8.367 5.828 1.00 0.32 H new ATOM 0 HA ALA B 48 -12.957 10.589 4.378 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -13.788 11.390 6.561 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.149 9.667 6.301 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.814 10.144 7.377 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.118 11.076 5.818 1.00 0.38 N ATOM 2402 CA ALA B 49 -8.990 12.001 5.839 1.00 0.41 C ATOM 2403 C ALA B 49 -8.755 12.577 4.452 1.00 0.41 C ATOM 2404 O ALA B 49 -8.514 13.772 4.292 1.00 0.47 O ATOM 2405 CB ALA B 49 -7.736 11.293 6.316 1.00 0.44 C ATOM 0 H ALA B 49 -9.892 10.129 6.122 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.224 12.813 6.528 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -6.903 11.996 6.326 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -7.897 10.906 7.322 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.506 10.467 5.643 1.00 0.44 H new ATOM 2411 N PHE B 50 -8.827 11.708 3.459 1.00 0.36 N ATOM 2412 CA PHE B 50 -8.638 12.093 2.072 1.00 0.37 C ATOM 2413 C PHE B 50 -9.952 12.579 1.473 1.00 0.38 C ATOM 2414 O PHE B 50 -10.040 13.686 0.945 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.123 10.890 1.281 1.00 0.35 C ATOM 2416 CG PHE B 50 -7.849 11.178 -0.169 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.674 11.801 -0.557 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -8.766 10.818 -1.145 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -6.419 12.060 -1.890 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -8.517 11.075 -2.478 1.00 2.10 C ATOM 2421 CZ PHE B 50 -7.343 11.697 -2.851 1.00 1.80 C ATOM 0 H PHE B 50 -9.018 10.715 3.592 1.00 0.36 H new ATOM 0 HA PHE B 50 -7.912 12.904 2.022 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.207 10.528 1.747 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -8.855 10.085 1.348 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -5.949 12.087 0.191 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -9.686 10.331 -0.859 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -5.499 12.545 -2.180 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -9.240 10.790 -3.228 1.00 2.10 H new ATOM 0 HZ PHE B 50 -7.147 11.900 -3.893 1.00 1.80 H new ATOM 2431 N THR B 51 -10.970 11.738 1.590 1.00 0.36 N ATOM 2432 CA THR B 51 -12.263 11.964 0.966 1.00 0.40 C ATOM 2433 C THR B 51 -12.898 13.284 1.390 1.00 0.45 C ATOM 2434 O THR B 51 -13.286 14.096 0.550 1.00 0.53 O ATOM 2435 CB THR B 51 -13.211 10.808 1.313 1.00 0.39 C ATOM 2436 OG1 THR B 51 -12.687 9.585 0.791 1.00 0.39 O ATOM 2437 CG2 THR B 51 -14.610 11.052 0.771 1.00 0.49 C ATOM 0 H THR B 51 -10.919 10.872 2.126 1.00 0.36 H new ATOM 0 HA THR B 51 -12.096 12.014 -0.110 1.00 0.40 H new ATOM 0 HB THR B 51 -13.284 10.742 2.399 1.00 0.39 H new ATOM 0 HG1 THR B 51 -12.547 8.950 1.524 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.254 10.213 1.036 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.012 11.969 1.202 1.00 0.49 H new ATOM 0 HG23 THR B 51 -14.568 11.149 -0.314 1.00 0.49 H new ATOM 2445 N LYS B 52 -12.979 13.512 2.692 1.00 0.47 N ATOM 2446 CA LYS B 52 -13.668 14.683 3.213 1.00 0.60 C ATOM 2447 C LYS B 52 -12.777 15.912 3.086 1.00 0.69 C ATOM 2448 O LYS B 52 -13.181 17.031 3.401 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.069 14.453 4.669 1.00 0.70 C ATOM 2450 CG LYS B 52 -14.756 13.110 4.894 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.047 12.989 4.101 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.195 13.690 4.797 1.00 1.24 C ATOM 2453 NZ LYS B 52 -17.739 12.891 5.924 1.00 1.82 N ATOM 0 H LYS B 52 -12.577 12.904 3.406 1.00 0.47 H new ATOM 0 HA LYS B 52 -14.574 14.852 2.631 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.181 14.510 5.298 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -14.737 15.254 4.987 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -14.079 12.305 4.609 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -14.970 12.986 5.956 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -15.907 13.417 3.108 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.293 11.936 3.963 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -16.856 14.657 5.169 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -17.989 13.887 4.077 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -18.648 13.294 6.228 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -17.882 11.908 5.615 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -17.068 12.910 6.719 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.314 12.435 -5.625 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.040 12.033 -6.986 1.00 0.56 C ATOM 2548 C GLY B 58 -16.591 11.649 -7.166 1.00 0.49 C ATOM 2549 O GLY B 58 -16.236 10.948 -8.107 1.00 0.48 O ATOM 0 HA2 GLY B 58 -18.677 11.190 -7.253 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.289 12.849 -7.665 1.00 0.56 H new ATOM 2553 N VAL B 59 -15.750 12.104 -6.245 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.330 11.793 -6.287 1.00 0.52 C ATOM 2555 C VAL B 59 -14.094 10.311 -6.138 1.00 0.49 C ATOM 2556 O VAL B 59 -13.252 9.750 -6.823 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.533 12.535 -5.194 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.103 12.246 -3.816 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.063 12.144 -5.241 1.00 0.66 C ATOM 0 H VAL B 59 -16.030 12.691 -5.459 1.00 0.52 H new ATOM 0 HA VAL B 59 -13.976 12.129 -7.262 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.618 13.604 -5.387 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.524 12.781 -3.063 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.142 12.575 -3.776 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -14.053 11.175 -3.619 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.519 12.679 -4.462 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -11.967 11.070 -5.079 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.649 12.403 -6.215 1.00 0.66 H new ATOM 2569 N LEU B 60 -14.854 9.676 -5.264 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.697 8.252 -5.033 1.00 0.46 C ATOM 2571 C LEU B 60 -15.004 7.504 -6.312 1.00 0.43 C ATOM 2572 O LEU B 60 -14.504 6.414 -6.553 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.617 7.764 -3.923 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.719 8.684 -2.705 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.591 8.055 -1.633 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.342 8.995 -2.157 1.00 0.52 C ATOM 0 H LEU B 60 -15.582 10.121 -4.705 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.669 8.065 -4.724 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.616 7.625 -4.337 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.270 6.786 -3.590 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.183 9.619 -3.019 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.652 8.724 -0.775 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.591 7.884 -2.031 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -16.157 7.105 -1.322 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.435 9.651 -1.291 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.851 8.068 -1.860 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.748 9.490 -2.925 1.00 0.52 H new ATOM 2588 N ASP B 61 -15.816 8.131 -7.141 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.179 7.565 -8.428 1.00 0.46 C ATOM 2590 C ASP B 61 -15.010 7.711 -9.384 1.00 0.47 C ATOM 2591 O ASP B 61 -14.709 6.820 -10.180 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.408 8.274 -9.000 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.130 7.441 -10.048 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -17.518 7.099 -11.085 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -19.316 7.114 -9.839 1.00 1.19 O ATOM 0 H ASP B 61 -16.240 9.038 -6.945 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.420 6.510 -8.297 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.098 8.508 -8.189 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.103 9.222 -9.442 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.338 8.842 -9.263 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.187 9.159 -10.089 1.00 0.51 C ATOM 2602 C ARG B 62 -11.998 8.293 -9.680 1.00 0.50 C ATOM 2603 O ARG B 62 -11.147 7.953 -10.502 1.00 0.56 O ATOM 2604 CB ARG B 62 -12.873 10.652 -9.960 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.104 11.511 -10.215 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.886 12.980 -9.902 1.00 0.62 C ATOM 2607 NE ARG B 62 -15.128 13.740 -10.073 1.00 1.45 N ATOM 2608 CZ ARG B 62 -15.713 14.466 -9.114 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -15.100 14.681 -7.956 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -16.902 15.010 -9.331 1.00 3.02 N ATOM 0 H ARG B 62 -14.576 9.568 -8.587 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.404 8.944 -11.135 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.486 10.858 -8.962 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.089 10.921 -10.667 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.400 11.409 -11.259 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -14.931 11.137 -9.612 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -13.526 13.089 -8.879 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.114 13.385 -10.556 1.00 0.62 H new ATOM 0 HE ARG B 62 -15.578 13.713 -10.988 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -14.172 14.291 -7.790 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -15.557 15.236 -7.233 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -17.369 14.875 -10.228 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -17.350 15.564 -8.601 1.00 3.02 H new ATOM 2624 N MET B 63 -11.956 7.927 -8.402 1.00 0.45 N ATOM 2625 CA MET B 63 -10.984 6.955 -7.920 1.00 0.44 C ATOM 2626 C MET B 63 -11.364 5.595 -8.464 1.00 0.41 C ATOM 2627 O MET B 63 -10.559 4.920 -9.102 1.00 0.42 O ATOM 2628 CB MET B 63 -10.971 6.864 -6.387 1.00 0.43 C ATOM 2629 CG MET B 63 -11.066 8.190 -5.642 1.00 0.49 C ATOM 2630 SD MET B 63 -9.527 9.143 -5.647 1.00 0.63 S ATOM 2631 CE MET B 63 -9.549 9.896 -7.274 1.00 1.54 C ATOM 0 H MET B 63 -12.583 8.289 -7.684 1.00 0.45 H new ATOM 0 HA MET B 63 -9.996 7.271 -8.254 1.00 0.44 H new ATOM 0 HB2 MET B 63 -11.802 6.232 -6.073 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.054 6.361 -6.080 1.00 0.43 H new ATOM 0 HG2 MET B 63 -11.857 8.792 -6.090 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.359 7.996 -4.610 1.00 0.49 H new ATOM 0 HE1 MET B 63 -9.058 10.868 -7.232 1.00 1.54 H new ATOM 0 HE2 MET B 63 -9.021 9.254 -7.979 1.00 1.54 H new ATOM 0 HE3 MET B 63 -10.581 10.024 -7.602 1.00 1.54 H new ATOM 2641 N MET B 64 -12.621 5.229 -8.210 1.00 0.41 N ATOM 2642 CA MET B 64 -13.175 3.938 -8.598 1.00 0.42 C ATOM 2643 C MET B 64 -12.799 3.565 -10.023 1.00 0.44 C ATOM 2644 O MET B 64 -12.215 2.521 -10.251 1.00 0.41 O ATOM 2645 CB MET B 64 -14.699 3.961 -8.473 1.00 0.55 C ATOM 2646 CG MET B 64 -15.335 2.592 -8.609 1.00 0.65 C ATOM 2647 SD MET B 64 -14.951 1.529 -7.212 1.00 1.87 S ATOM 2648 CE MET B 64 -15.681 -0.006 -7.748 1.00 2.41 C ATOM 0 H MET B 64 -13.287 5.829 -7.724 1.00 0.41 H new ATOM 0 HA MET B 64 -12.754 3.190 -7.926 1.00 0.42 H new ATOM 0 HB2 MET B 64 -14.970 4.385 -7.506 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.109 4.621 -9.237 1.00 0.55 H new ATOM 0 HG2 MET B 64 -16.416 2.701 -8.695 1.00 0.65 H new ATOM 0 HG3 MET B 64 -14.988 2.121 -9.529 1.00 0.65 H new ATOM 0 HE1 MET B 64 -15.880 -0.636 -6.881 1.00 2.41 H new ATOM 0 HE2 MET B 64 -16.615 0.198 -8.271 1.00 2.41 H new ATOM 0 HE3 MET B 64 -14.994 -0.520 -8.420 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.111 4.435 -10.972 1.00 0.52 N ATOM 2659 CA LYS B 65 -12.915 4.123 -12.385 1.00 0.56 C ATOM 2660 C LYS B 65 -11.438 3.950 -12.735 1.00 0.54 C ATOM 2661 O LYS B 65 -11.094 3.164 -13.615 1.00 0.60 O ATOM 2662 CB LYS B 65 -13.535 5.206 -13.262 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.042 5.326 -13.110 1.00 0.79 C ATOM 2664 CD LYS B 65 -15.742 4.021 -13.453 1.00 0.86 C ATOM 2665 CE LYS B 65 -17.251 4.198 -13.504 1.00 1.57 C ATOM 2666 NZ LYS B 65 -17.813 4.601 -12.188 1.00 2.49 N ATOM 0 H LYS B 65 -13.500 5.361 -10.793 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.414 3.173 -12.577 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -13.077 6.165 -13.019 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.299 4.995 -14.305 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -15.284 5.612 -12.086 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -15.412 6.120 -13.759 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.384 3.657 -14.416 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -15.488 3.264 -12.711 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -17.502 4.952 -14.251 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -17.714 3.265 -13.825 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -18.848 4.497 -12.206 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -17.417 3.995 -11.441 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -17.568 5.593 -11.995 1.00 2.49 H new ATOM 2680 N LYS B 66 -10.573 4.686 -12.053 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.134 4.568 -12.267 1.00 0.52 C ATOM 2682 C LYS B 66 -8.644 3.214 -11.776 1.00 0.48 C ATOM 2683 O LYS B 66 -7.797 2.568 -12.397 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.392 5.674 -11.514 1.00 0.55 C ATOM 2685 CG LYS B 66 -6.876 5.562 -11.612 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.162 6.665 -10.842 1.00 0.96 C ATOM 2687 CE LYS B 66 -6.531 6.662 -9.364 1.00 0.73 C ATOM 2688 NZ LYS B 66 -5.724 7.646 -8.594 1.00 1.47 N ATOM 0 H LYS B 66 -10.840 5.372 -11.347 1.00 0.50 H new ATOM 0 HA LYS B 66 -8.935 4.664 -13.334 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -8.703 6.642 -11.906 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -8.684 5.647 -10.464 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -6.560 4.592 -11.228 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -6.578 5.603 -12.660 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -5.084 6.540 -10.947 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -6.415 7.632 -11.277 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -7.590 6.894 -9.253 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.378 5.664 -8.953 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -6.003 7.616 -7.593 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -4.715 7.410 -8.680 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -5.890 8.601 -8.971 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.201 2.795 -10.657 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.771 1.587 -9.982 1.00 0.39 C ATOM 2704 C LEU B 67 -9.437 0.364 -10.581 1.00 0.40 C ATOM 2705 O LEU B 67 -8.806 -0.679 -10.707 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.133 1.688 -8.519 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.720 2.993 -7.839 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.311 3.073 -6.447 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.207 3.120 -7.793 1.00 0.37 C ATOM 0 H LEU B 67 -9.965 3.283 -10.190 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.692 1.483 -10.101 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.212 1.569 -8.418 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.670 0.857 -7.988 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.109 3.826 -8.425 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -9.008 4.008 -5.976 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.398 3.035 -6.511 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.953 2.234 -5.851 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.935 4.056 -7.305 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.789 2.284 -7.233 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.810 3.112 -8.808 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.722 0.510 -10.918 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.518 -0.543 -11.558 1.00 0.42 C ATOM 2723 C ASP B 68 -10.946 -0.836 -12.933 1.00 0.52 C ATOM 2724 O ASP B 68 -11.507 -0.484 -13.973 1.00 0.57 O ATOM 2725 CB ASP B 68 -12.988 -0.093 -11.651 1.00 0.43 C ATOM 2726 CG ASP B 68 -13.887 -1.042 -12.426 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -13.913 -2.257 -12.127 1.00 1.13 O ATOM 2728 OD2 ASP B 68 -14.588 -0.565 -13.345 1.00 1.23 O ATOM 0 H ASP B 68 -11.244 1.370 -10.753 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.479 -1.457 -10.965 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.385 0.022 -10.642 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.026 0.889 -12.122 1.00 0.43 H new ATOM 2733 N THR B 69 -9.796 -1.451 -12.906 1.00 0.58 N ATOM 2734 CA THR B 69 -9.042 -1.764 -14.093 1.00 0.74 C ATOM 2735 C THR B 69 -9.651 -2.968 -14.796 1.00 0.83 C ATOM 2736 O THR B 69 -9.462 -3.181 -15.994 1.00 0.99 O ATOM 2737 CB THR B 69 -7.571 -2.019 -13.714 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.715 -1.834 -14.850 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.380 -3.422 -13.159 1.00 0.82 C ATOM 0 H THR B 69 -9.346 -1.755 -12.043 1.00 0.58 H new ATOM 0 HA THR B 69 -9.078 -0.922 -14.785 1.00 0.74 H new ATOM 0 HB THR B 69 -7.304 -1.298 -12.941 1.00 0.79 H new ATOM 0 HG1 THR B 69 -5.785 -1.999 -14.589 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.332 -3.572 -12.901 1.00 0.82 H new ATOM 0 HG22 THR B 69 -7.995 -3.547 -12.268 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.677 -4.154 -13.910 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.411 -3.733 -14.032 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.143 -4.866 -14.560 1.00 0.94 C ATOM 2749 C ASN B 70 -12.411 -4.389 -15.245 1.00 0.86 C ATOM 2750 O ASN B 70 -13.069 -5.134 -15.975 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.492 -5.810 -13.421 1.00 1.00 C ATOM 2752 CG ASN B 70 -12.084 -7.125 -13.892 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -11.775 -7.610 -14.981 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -12.942 -7.711 -13.072 1.00 1.66 N ATOM 0 H ASN B 70 -10.537 -3.585 -13.031 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.526 -5.390 -15.290 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.594 -6.012 -12.838 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.201 -5.318 -12.755 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -13.374 -8.597 -13.334 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -13.171 -7.276 -12.178 1.00 1.66 H new ATOM 2761 N SER B 71 -12.729 -3.119 -14.985 1.00 0.70 N ATOM 2762 CA SER B 71 -13.903 -2.447 -15.525 1.00 0.66 C ATOM 2763 C SER B 71 -15.162 -3.255 -15.257 1.00 0.61 C ATOM 2764 O SER B 71 -16.053 -3.361 -16.102 1.00 0.66 O ATOM 2765 CB SER B 71 -13.735 -2.125 -17.021 1.00 0.82 C ATOM 2766 OG SER B 71 -13.336 -3.262 -17.773 1.00 1.48 O ATOM 0 H SER B 71 -12.164 -2.521 -14.381 1.00 0.70 H new ATOM 0 HA SER B 71 -14.009 -1.493 -15.008 1.00 0.66 H new ATOM 0 HB2 SER B 71 -14.676 -1.742 -17.416 1.00 0.82 H new ATOM 0 HB3 SER B 71 -12.994 -1.335 -17.140 1.00 0.82 H new ATOM 0 HG SER B 71 -13.543 -4.077 -17.269 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.228 -3.810 -14.057 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.347 -4.643 -13.656 1.00 0.65 C ATOM 2774 C ASP B 72 -17.229 -3.877 -12.685 1.00 0.56 C ATOM 2775 O ASP B 72 -18.403 -4.196 -12.501 1.00 0.66 O ATOM 2776 CB ASP B 72 -15.837 -5.931 -13.005 1.00 0.80 C ATOM 2777 CG ASP B 72 -16.953 -6.876 -12.607 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -17.479 -7.585 -13.489 1.00 1.53 O ATOM 2779 OD2 ASP B 72 -17.302 -6.921 -11.408 1.00 1.56 O ATOM 0 H ASP B 72 -14.512 -3.696 -13.339 1.00 0.58 H new ATOM 0 HA ASP B 72 -16.932 -4.907 -14.537 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.167 -6.441 -13.697 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.251 -5.678 -12.122 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.662 -2.833 -12.098 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.408 -2.015 -11.168 1.00 0.46 C ATOM 2786 C GLY B 73 -17.100 -2.370 -9.733 1.00 0.41 C ATOM 2787 O GLY B 73 -17.871 -2.060 -8.825 1.00 0.44 O ATOM 0 H GLY B 73 -15.697 -2.539 -12.250 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.174 -0.964 -11.340 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.475 -2.138 -11.351 1.00 0.46 H new ATOM 2791 N GLN B 74 -15.969 -3.029 -9.533 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.502 -3.378 -8.206 1.00 0.37 C ATOM 2793 C GLN B 74 -14.000 -3.206 -8.160 1.00 0.36 C ATOM 2794 O GLN B 74 -13.359 -3.089 -9.202 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.850 -4.821 -7.850 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.323 -5.158 -7.974 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.621 -6.607 -7.662 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -16.951 -7.228 -6.841 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -18.623 -7.159 -8.321 1.00 1.25 N ATOM 0 H GLN B 74 -15.353 -3.335 -10.286 1.00 0.38 H new ATOM 0 HA GLN B 74 -15.992 -2.724 -7.485 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.281 -5.489 -8.496 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.529 -5.018 -6.827 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.895 -4.521 -7.299 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.659 -4.933 -8.986 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -19.155 -6.608 -8.995 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -18.865 -8.136 -8.156 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.447 -3.191 -6.966 1.00 0.33 N ATOM 2809 CA LEU B 75 -12.015 -3.036 -6.803 1.00 0.31 C ATOM 2810 C LEU B 75 -11.411 -4.223 -6.107 1.00 0.32 C ATOM 2811 O LEU B 75 -11.637 -4.450 -4.919 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.692 -1.783 -6.019 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.184 -0.498 -6.659 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.720 0.703 -5.862 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.698 -0.420 -8.096 1.00 0.35 C ATOM 0 H LEU B 75 -13.966 -3.284 -6.093 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.587 -2.957 -7.802 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -12.129 -1.869 -5.024 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.612 -1.719 -5.889 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.274 -0.495 -6.661 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.082 1.616 -6.335 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -12.113 0.640 -4.847 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.631 0.719 -5.829 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.054 0.504 -8.551 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.608 -0.437 -8.113 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.083 -1.272 -8.657 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.642 -4.969 -6.851 1.00 0.35 N ATOM 2828 CA ASP B 76 -9.978 -6.129 -6.319 1.00 0.36 C ATOM 2829 C ASP B 76 -8.794 -5.714 -5.486 1.00 0.33 C ATOM 2830 O ASP B 76 -8.443 -4.537 -5.429 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.573 -7.082 -7.448 1.00 0.44 C ATOM 2832 CG ASP B 76 -8.132 -6.934 -7.931 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.208 -7.449 -7.264 1.00 1.68 O ATOM 2834 OD2 ASP B 76 -7.915 -6.338 -8.999 1.00 1.44 O ATOM 0 H ASP B 76 -10.458 -4.792 -7.839 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.668 -6.668 -5.670 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -9.723 -8.107 -7.109 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -10.242 -6.924 -8.294 1.00 0.44 H new ATOM 2839 N PHE B 77 -8.220 -6.691 -4.825 1.00 0.40 N ATOM 2840 CA PHE B 77 -7.054 -6.516 -3.988 1.00 0.49 C ATOM 2841 C PHE B 77 -6.051 -5.525 -4.585 1.00 0.39 C ATOM 2842 O PHE B 77 -5.693 -4.538 -3.949 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.409 -7.879 -3.825 1.00 0.72 C ATOM 2844 CG PHE B 77 -7.215 -8.850 -3.007 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -7.940 -8.426 -1.905 1.00 2.56 C ATOM 2846 CD2 PHE B 77 -7.248 -10.192 -3.348 1.00 2.66 C ATOM 2847 CE1 PHE B 77 -8.680 -9.322 -1.159 1.00 3.67 C ATOM 2848 CE2 PHE B 77 -7.986 -11.092 -2.606 1.00 3.77 C ATOM 2849 CZ PHE B 77 -8.703 -10.656 -1.511 1.00 4.14 C ATOM 0 H PHE B 77 -8.558 -7.653 -4.854 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.359 -6.101 -3.028 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -6.238 -8.308 -4.812 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.432 -7.752 -3.359 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -7.926 -7.383 -1.626 1.00 2.56 H new ATOM 0 HD2 PHE B 77 -6.689 -10.538 -4.205 1.00 2.66 H new ATOM 0 HE1 PHE B 77 -9.240 -8.979 -0.301 1.00 3.67 H new ATOM 0 HE2 PHE B 77 -8.002 -12.136 -2.882 1.00 3.77 H new ATOM 0 HZ PHE B 77 -9.282 -11.358 -0.930 1.00 4.14 H new ATOM 2859 N SER B 78 -5.625 -5.781 -5.813 1.00 0.38 N ATOM 2860 CA SER B 78 -4.642 -4.936 -6.479 1.00 0.38 C ATOM 2861 C SER B 78 -5.220 -3.572 -6.864 1.00 0.38 C ATOM 2862 O SER B 78 -4.529 -2.559 -6.777 1.00 0.44 O ATOM 2863 CB SER B 78 -4.084 -5.647 -7.713 1.00 0.44 C ATOM 2864 OG SER B 78 -5.113 -6.188 -8.525 1.00 1.32 O ATOM 0 H SER B 78 -5.946 -6.571 -6.372 1.00 0.38 H new ATOM 0 HA SER B 78 -3.833 -4.755 -5.771 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.491 -4.945 -8.299 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.413 -6.446 -7.398 1.00 0.44 H new ATOM 0 HG SER B 78 -4.716 -6.632 -9.303 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.485 -3.542 -7.266 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.131 -2.297 -7.665 1.00 0.42 C ATOM 2872 C GLU B 79 -7.291 -1.381 -6.458 1.00 0.33 C ATOM 2873 O GLU B 79 -7.146 -0.163 -6.554 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.489 -2.593 -8.303 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.382 -3.477 -9.536 1.00 0.64 C ATOM 2876 CD GLU B 79 -9.726 -3.883 -10.114 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.531 -4.490 -9.388 1.00 2.57 O ATOM 2878 OE2 GLU B 79 -9.959 -3.644 -11.312 1.00 2.54 O ATOM 0 H GLU B 79 -7.084 -4.366 -7.324 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.507 -1.791 -8.401 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.132 -3.078 -7.569 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.969 -1.653 -8.576 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.811 -2.951 -10.301 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -7.820 -4.375 -9.281 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.558 -1.990 -5.313 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.692 -1.260 -4.064 1.00 0.25 C ATOM 2887 C PHE B 80 -6.319 -0.865 -3.535 1.00 0.23 C ATOM 2888 O PHE B 80 -6.186 0.065 -2.745 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.427 -2.113 -3.037 1.00 0.31 C ATOM 2890 CG PHE B 80 -9.429 -1.338 -2.240 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -10.666 -1.054 -2.775 1.00 1.60 C ATOM 2892 CD2 PHE B 80 -9.137 -0.894 -0.965 1.00 1.26 C ATOM 2893 CE1 PHE B 80 -11.599 -0.340 -2.058 1.00 1.98 C ATOM 2894 CE2 PHE B 80 -10.065 -0.177 -0.238 1.00 1.56 C ATOM 2895 CZ PHE B 80 -11.301 0.100 -0.786 1.00 1.64 C ATOM 0 H PHE B 80 -7.687 -2.998 -5.224 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.269 -0.353 -4.246 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -8.933 -2.932 -3.549 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.701 -2.561 -2.359 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -10.907 -1.396 -3.771 1.00 1.60 H new ATOM 0 HD2 PHE B 80 -8.171 -1.111 -0.532 1.00 1.26 H new ATOM 0 HE1 PHE B 80 -12.564 -0.125 -2.492 1.00 1.98 H new ATOM 0 HE2 PHE B 80 -9.825 0.167 0.757 1.00 1.56 H new ATOM 0 HZ PHE B 80 -12.032 0.659 -0.221 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.296 -1.583 -3.965 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.929 -1.235 -3.615 1.00 0.26 C ATOM 2907 C LEU B 81 -3.408 -0.140 -4.522 1.00 0.26 C ATOM 2908 O LEU B 81 -2.548 0.642 -4.128 1.00 0.27 O ATOM 2909 CB LEU B 81 -3.030 -2.453 -3.688 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.285 -3.491 -2.598 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.524 -4.765 -2.898 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -2.924 -2.939 -1.217 1.00 0.29 C ATOM 0 H LEU B 81 -5.385 -2.409 -4.556 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.925 -0.865 -2.590 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.159 -2.927 -4.661 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.992 -2.127 -3.627 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.350 -3.725 -2.587 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.715 -5.496 -2.113 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.852 -5.168 -3.856 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.456 -4.549 -2.941 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.116 -3.699 -0.460 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -1.869 -2.666 -1.199 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.530 -2.058 -1.008 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.926 -0.089 -5.742 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.661 1.032 -6.621 1.00 0.26 C ATOM 2926 C ASN B 82 -4.210 2.288 -5.975 1.00 0.23 C ATOM 2927 O ASN B 82 -3.648 3.379 -6.087 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.316 0.818 -7.987 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.577 -0.180 -8.863 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -4.190 -0.914 -9.639 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -2.255 -0.197 -8.770 1.00 1.42 N ATOM 0 H ASN B 82 -4.529 -0.809 -6.140 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.586 1.126 -6.776 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.339 0.473 -7.840 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.373 1.774 -8.508 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -1.711 -0.833 -9.353 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -1.782 0.426 -8.115 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.330 2.104 -5.295 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.920 3.129 -4.464 1.00 0.24 C ATOM 2940 C LEU B 83 -4.964 3.538 -3.361 1.00 0.23 C ATOM 2941 O LEU B 83 -4.616 4.709 -3.232 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.188 2.597 -3.827 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.643 3.379 -2.606 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.249 4.714 -3.014 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.605 2.557 -1.774 1.00 0.36 C ATOM 0 H LEU B 83 -5.856 1.230 -5.307 1.00 0.23 H new ATOM 0 HA LEU B 83 -6.141 3.993 -5.091 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.986 2.606 -4.569 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.030 1.557 -3.541 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.772 3.593 -1.986 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.568 5.256 -2.124 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.505 5.303 -3.551 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -9.109 4.541 -3.660 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.919 3.134 -0.904 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.478 2.301 -2.374 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.111 1.643 -1.444 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.568 2.553 -2.562 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.629 2.763 -1.471 1.00 0.26 C ATOM 2959 C ILE B 84 -2.377 3.480 -1.975 1.00 0.27 C ATOM 2960 O ILE B 84 -1.801 4.303 -1.272 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.259 1.415 -0.810 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.473 0.816 -0.089 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -2.085 1.570 0.150 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.024 1.681 1.024 1.00 0.62 C ATOM 0 H ILE B 84 -4.889 1.589 -2.654 1.00 0.24 H new ATOM 0 HA ILE B 84 -4.105 3.393 -0.720 1.00 0.26 H new ATOM 0 HB ILE B 84 -2.953 0.730 -1.600 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -5.262 0.636 -0.819 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.194 -0.153 0.324 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.851 0.604 0.597 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.216 1.938 -0.395 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -2.348 2.279 0.935 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.880 1.184 1.481 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -4.252 1.840 1.777 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.337 2.642 0.617 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.993 3.187 -3.211 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.884 3.870 -3.835 1.00 0.29 C ATOM 2978 C GLY B 85 -1.174 5.340 -4.066 1.00 0.28 C ATOM 2979 O GLY B 85 -0.361 6.189 -3.729 1.00 0.32 O ATOM 0 H GLY B 85 -2.438 2.479 -3.796 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.002 3.770 -3.207 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.655 3.392 -4.788 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.356 5.645 -4.594 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.702 7.022 -4.912 1.00 0.30 C ATOM 2985 C GLY B 86 -2.919 7.830 -3.658 1.00 0.29 C ATOM 2986 O GLY B 86 -2.610 9.022 -3.597 1.00 0.34 O ATOM 0 H GLY B 86 -3.083 4.962 -4.808 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.906 7.472 -5.506 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.605 7.042 -5.522 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.447 7.155 -2.657 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.610 7.715 -1.330 1.00 0.25 C ATOM 2992 C LEU B 87 -2.250 8.014 -0.732 1.00 0.26 C ATOM 2993 O LEU B 87 -1.965 9.138 -0.310 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.321 6.706 -0.443 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.800 6.487 -0.724 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.253 5.195 -0.076 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.621 7.649 -0.197 1.00 0.35 C ATOM 0 H LEU B 87 -3.778 6.194 -2.742 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.194 8.633 -1.397 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.809 5.748 -0.536 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.213 7.026 0.594 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.948 6.423 -1.802 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.313 5.039 -0.278 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.679 4.363 -0.484 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.093 5.252 1.001 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.676 7.474 -0.407 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.476 7.739 0.880 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.302 8.570 -0.684 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.413 6.986 -0.711 1.00 0.25 N ATOM 3010 CA ALA B 88 -0.087 7.083 -0.144 1.00 0.27 C ATOM 3011 C ALA B 88 0.710 8.158 -0.812 1.00 0.29 C ATOM 3012 O ALA B 88 1.417 8.904 -0.157 1.00 0.35 O ATOM 3013 CB ALA B 88 0.659 5.777 -0.273 1.00 0.26 C ATOM 0 H ALA B 88 -1.639 6.065 -1.087 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.212 7.327 0.911 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.653 5.881 0.162 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.113 4.993 0.252 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.750 5.513 -1.327 1.00 0.26 H new ATOM 3019 N MET B 89 0.606 8.215 -2.117 1.00 0.29 N ATOM 3020 CA MET B 89 1.356 9.169 -2.893 1.00 0.32 C ATOM 3021 C MET B 89 1.002 10.594 -2.499 1.00 0.34 C ATOM 3022 O MET B 89 1.864 11.471 -2.465 1.00 0.39 O ATOM 3023 CB MET B 89 1.102 8.935 -4.371 1.00 0.34 C ATOM 3024 CG MET B 89 1.831 7.720 -4.905 1.00 0.42 C ATOM 3025 SD MET B 89 1.805 7.634 -6.708 1.00 1.03 S ATOM 3026 CE MET B 89 0.048 7.552 -7.038 1.00 1.89 C ATOM 0 H MET B 89 0.002 7.605 -2.668 1.00 0.29 H new ATOM 0 HA MET B 89 2.418 9.030 -2.690 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.032 8.813 -4.536 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.413 9.816 -4.933 1.00 0.34 H new ATOM 0 HG2 MET B 89 2.865 7.740 -4.561 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.376 6.818 -4.495 1.00 0.42 H new ATOM 0 HE1 MET B 89 -0.117 7.459 -8.111 1.00 1.89 H new ATOM 0 HE2 MET B 89 -0.378 6.687 -6.529 1.00 1.89 H new ATOM 0 HE3 MET B 89 -0.433 8.460 -6.674 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.258 10.806 -2.162 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.721 12.109 -1.729 1.00 0.39 C ATOM 3038 C ALA B 90 -0.188 12.428 -0.335 1.00 0.42 C ATOM 3039 O ALA B 90 0.211 13.558 -0.057 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.238 12.152 -1.749 1.00 0.46 C ATOM 0 H ALA B 90 -0.981 10.087 -2.181 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.343 12.866 -2.417 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.578 13.135 -1.422 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.594 11.963 -2.762 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.632 11.389 -1.077 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.164 11.416 0.526 1.00 0.41 N ATOM 3047 CA CYS B 91 0.326 11.570 1.894 1.00 0.47 C ATOM 3048 C CYS B 91 1.845 11.770 1.914 1.00 0.44 C ATOM 3049 O CYS B 91 2.360 12.602 2.658 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.065 10.346 2.722 1.00 0.55 C ATOM 3051 SG CYS B 91 -1.844 10.012 2.734 1.00 1.76 S ATOM 0 H CYS B 91 -0.480 10.473 0.300 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.132 12.458 2.331 1.00 0.47 H new ATOM 0 HB2 CYS B 91 0.457 9.472 2.331 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.276 10.488 3.748 1.00 0.55 H new ATOM 0 HG CYS B 91 -2.219 9.614 1.555 1.00 1.76 H new ATOM 3057 N HIS B 92 2.550 10.989 1.101 1.00 0.41 N ATOM 3058 CA HIS B 92 3.985 11.158 0.894 1.00 0.46 C ATOM 3059 C HIS B 92 4.278 12.577 0.445 1.00 0.45 C ATOM 3060 O HIS B 92 5.017 13.304 1.098 1.00 0.49 O ATOM 3061 CB HIS B 92 4.512 10.169 -0.161 1.00 0.54 C ATOM 3062 CG HIS B 92 4.729 8.769 0.340 1.00 1.21 C ATOM 3063 ND1 HIS B 92 3.707 7.870 0.550 1.00 2.12 N ATOM 3064 CD2 HIS B 92 5.868 8.114 0.671 1.00 1.96 C ATOM 3065 CE1 HIS B 92 4.203 6.729 0.990 1.00 2.74 C ATOM 3066 NE2 HIS B 92 5.511 6.851 1.072 1.00 2.62 N ATOM 0 H HIS B 92 2.143 10.221 0.567 1.00 0.41 H new ATOM 0 HA HIS B 92 4.489 10.959 1.840 1.00 0.46 H new ATOM 0 HB2 HIS B 92 3.808 10.137 -0.992 1.00 0.54 H new ATOM 0 HB3 HIS B 92 5.454 10.549 -0.556 1.00 0.54 H new ATOM 0 HD1 HIS B 92 2.717 8.058 0.390 1.00 2.12 H new ATOM 0 HD2 HIS B 92 6.871 8.512 0.627 1.00 1.96 H new ATOM 0 HE1 HIS B 92 3.633 5.846 1.240 1.00 2.74 H new ATOM 3075 N ASP B 93 3.656 12.965 -0.656 1.00 0.45 N ATOM 3076 CA ASP B 93 3.841 14.292 -1.227 1.00 0.52 C ATOM 3077 C ASP B 93 3.494 15.372 -0.206 1.00 0.56 C ATOM 3078 O ASP B 93 4.171 16.393 -0.110 1.00 0.65 O ATOM 3079 CB ASP B 93 2.964 14.428 -2.470 1.00 0.54 C ATOM 3080 CG ASP B 93 3.196 15.719 -3.229 1.00 0.92 C ATOM 3081 OD1 ASP B 93 4.301 15.899 -3.783 1.00 1.74 O ATOM 3082 OD2 ASP B 93 2.267 16.554 -3.291 1.00 1.48 O ATOM 0 H ASP B 93 3.011 12.373 -1.179 1.00 0.45 H new ATOM 0 HA ASP B 93 4.887 14.421 -1.505 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.154 13.585 -3.134 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.916 14.371 -2.175 1.00 0.54 H new ATOM 3087 N SER B 94 2.454 15.115 0.577 1.00 0.54 N ATOM 3088 CA SER B 94 2.022 16.024 1.626 1.00 0.60 C ATOM 3089 C SER B 94 3.125 16.188 2.659 1.00 0.63 C ATOM 3090 O SER B 94 3.511 17.301 2.997 1.00 0.70 O ATOM 3091 CB SER B 94 0.763 15.482 2.308 1.00 0.65 C ATOM 3092 OG SER B 94 0.181 16.441 3.174 1.00 1.26 O ATOM 0 H SER B 94 1.888 14.270 0.501 1.00 0.54 H new ATOM 0 HA SER B 94 1.799 16.992 1.178 1.00 0.60 H new ATOM 0 HB2 SER B 94 0.037 15.188 1.550 1.00 0.65 H new ATOM 0 HB3 SER B 94 1.014 14.585 2.874 1.00 0.65 H new ATOM 0 HG SER B 94 -0.621 16.062 3.591 1.00 1.26 H new ATOM 3098 N PHE B 95 3.650 15.062 3.126 1.00 0.60 N ATOM 3099 CA PHE B 95 4.643 15.055 4.187 1.00 0.67 C ATOM 3100 C PHE B 95 5.924 15.733 3.717 1.00 0.73 C ATOM 3101 O PHE B 95 6.593 16.421 4.482 1.00 0.84 O ATOM 3102 CB PHE B 95 4.932 13.615 4.615 1.00 0.64 C ATOM 3103 CG PHE B 95 5.591 13.501 5.960 1.00 0.78 C ATOM 3104 CD1 PHE B 95 4.906 13.862 7.109 1.00 1.80 C ATOM 3105 CD2 PHE B 95 6.888 13.032 6.076 1.00 1.29 C ATOM 3106 CE1 PHE B 95 5.503 13.756 8.350 1.00 2.35 C ATOM 3107 CE2 PHE B 95 7.490 12.923 7.315 1.00 1.76 C ATOM 3108 CZ PHE B 95 6.796 13.286 8.452 1.00 2.07 C ATOM 0 H PHE B 95 3.400 14.135 2.781 1.00 0.60 H new ATOM 0 HA PHE B 95 4.253 15.608 5.041 1.00 0.67 H new ATOM 0 HB2 PHE B 95 3.996 13.056 4.631 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.571 13.145 3.867 1.00 0.64 H new ATOM 0 HD1 PHE B 95 3.894 14.231 7.033 1.00 1.80 H new ATOM 0 HD2 PHE B 95 7.435 12.748 5.189 1.00 1.29 H new ATOM 0 HE1 PHE B 95 4.959 14.040 9.238 1.00 2.35 H new ATOM 0 HE2 PHE B 95 8.502 12.554 7.394 1.00 1.76 H new ATOM 0 HZ PHE B 95 7.265 13.202 9.421 1.00 2.07 H new