USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=48 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 24 TYR OH : rot -114:sc= 1.29 USER MOD Set 1.2: B 45 THR OG1 : rot -74:sc= 2.24 USER MOD Set 2.1: A 24 TYR OH : rot -88:sc= 1.25 USER MOD Set 2.2: A 45 THR OG1 : rot -78:sc= 2.28 USER MOD Set 3.1: A 13 CYS SG : rot 103:sc= -6.88! USER MOD Set 3.2: B 13 CYS SG : rot 101:sc= -6.86! USER MOD Single : A 8 THR OG1 : rot -155:sc= -1.28! USER MOD Single : A 10 THR OG1 : rot -170:sc= 0 USER MOD Single : A 16 SER OG : rot 82:sc= 1.27 USER MOD Single : A 22 GLN : amide:sc= -0.326 K(o=-0.33,f=-1.6!) USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 1.21 (180deg=1.12) USER MOD Single : A 33 THR OG1 : rot 24:sc= 0.584 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.11) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00329 USER MOD Single : A 43 MET CE :methyl 157:sc= -0.391 (180deg=-1.47) USER MOD Single : A 44 ASN : amide:sc= -0.183 K(o=-0.18,f=-5.7!) USER MOD Single : A 51 THR OG1 : rot 128:sc= -1.99! USER MOD Single : A 52 LYS NZ :NH3+ 163:sc= -0.0262 (180deg=-0.257) USER MOD Single : A 63 MET CE :methyl 140:sc= -0.0944 (180deg=-2.01!) USER MOD Single : A 64 MET CE :methyl 141:sc= -2.18 (180deg=-6.31!) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= -0.021 (180deg=-0.225) 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= -0.147 K(o=-0.15,f=-3!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -2.28! C(o=-2.3!,f=-5.6!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.5!) USER MOD Single : A 89 MET CE :methyl 150:sc= -0.34 (180deg=-1.13) USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0342 K(o=-0.034,f=-2.2!) USER MOD Single : A 94 SER OG : rot 109:sc= 1.23 USER MOD Single : B 8 THR OG1 : rot -165:sc= -1.24! USER MOD Single : B 10 THR OG1 : rot -170:sc= 0 USER MOD Single : B 16 SER OG : rot 89:sc= 1.23 USER MOD Single : B 22 GLN : amide:sc= -0.285 K(o=-0.29,f=-1.6!) USER MOD Single : B 23 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.15) USER MOD Single : B 33 THR OG1 : rot 31:sc= 0.64 USER MOD Single : B 35 SER OG : rot 180:sc= 0 USER MOD Single : B 36 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.23) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc=-0.00467 USER MOD Single : B 43 MET CE :methyl 156:sc= -0.387 (180deg=-1.43) USER MOD Single : B 44 ASN : amide:sc= -0.175 K(o=-0.18,f=-5.7!) USER MOD Single : B 51 THR OG1 : rot 129:sc= -2.14! USER MOD Single : B 52 LYS NZ :NH3+ 164:sc= -0.0224 (180deg=-0.266) USER MOD Single : B 63 MET CE :methyl 140:sc= -0.0908 (180deg=-2!) USER MOD Single : B 64 MET CE :methyl 144:sc= -2.01 (180deg=-6.35!) USER MOD Single : B 65 LYS NZ :NH3+ -166:sc= -0.0327 (180deg=-0.237) 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= -0.1 K(o=-0.1,f=-2.8!) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 74 GLN : amide:sc= -2.32! C(o=-2.3!,f=-5.7!) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.3!) USER MOD Single : B 89 MET CE :methyl 132:sc= -0.22 (180deg=-1.1) USER MOD Single : B 91 CYS SG : rot 180:sc= 0 USER MOD Single : B 92 HIS : no HD1:sc= -0.0427 K(o=-0.043,f=-2!) USER MOD Single : B 94 SER OG : rot 101:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -6.009 9.103 11.904 1.00 0.69 N ATOM 94 CA PRO A 7 -6.114 8.300 10.684 1.00 0.54 C ATOM 95 C PRO A 7 -6.739 6.941 10.950 1.00 0.44 C ATOM 96 O PRO A 7 -6.814 6.489 12.093 1.00 0.56 O ATOM 97 CB PRO A 7 -4.657 8.130 10.269 1.00 0.61 C ATOM 98 CG PRO A 7 -3.941 8.091 11.563 1.00 0.75 C ATOM 99 CD PRO A 7 -4.622 9.128 12.413 1.00 0.82 C ATOM 0 HA PRO A 7 -6.746 8.769 9.930 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.505 7.215 9.697 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -4.317 8.956 9.645 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.003 7.103 12.019 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -2.882 8.317 11.436 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.575 8.878 13.473 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.165 10.111 12.297 1.00 0.82 H new ATOM 107 N THR A 8 -7.184 6.295 9.892 1.00 0.34 N ATOM 108 CA THR A 8 -7.743 4.964 9.999 1.00 0.27 C ATOM 109 C THR A 8 -6.648 3.941 9.800 1.00 0.28 C ATOM 110 O THR A 8 -5.484 4.310 9.635 1.00 0.35 O ATOM 111 CB THR A 8 -8.823 4.741 8.946 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.211 4.626 7.658 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.801 5.896 8.961 1.00 0.32 C ATOM 0 H THR A 8 -7.169 6.672 8.945 1.00 0.34 H new ATOM 0 HA THR A 8 -8.187 4.857 10.989 1.00 0.27 H new ATOM 0 HB THR A 8 -9.366 3.822 9.167 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.859 4.871 6.965 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.570 5.731 8.207 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.266 5.966 9.944 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.272 6.824 8.743 1.00 0.32 H new ATOM 121 N GLU A 9 -7.020 2.672 9.777 1.00 0.28 N ATOM 122 CA GLU A 9 -6.049 1.601 9.622 1.00 0.33 C ATOM 123 C GLU A 9 -5.220 1.795 8.354 1.00 0.36 C ATOM 124 O GLU A 9 -3.999 1.777 8.399 1.00 0.52 O ATOM 125 CB GLU A 9 -6.735 0.239 9.585 1.00 0.40 C ATOM 126 CG GLU A 9 -5.743 -0.907 9.598 1.00 0.56 C ATOM 127 CD GLU A 9 -5.019 -1.019 10.922 1.00 1.73 C ATOM 128 OE1 GLU A 9 -3.958 -0.384 11.086 1.00 2.48 O ATOM 129 OE2 GLU A 9 -5.516 -1.741 11.814 1.00 2.47 O ATOM 0 H GLU A 9 -7.987 2.358 9.864 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.385 1.635 10.486 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.403 0.148 10.442 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.354 0.171 8.690 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.266 -1.841 9.391 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -5.016 -0.765 8.799 1.00 0.56 H new ATOM 136 N THR A 10 -5.889 2.029 7.234 1.00 0.26 N ATOM 137 CA THR A 10 -5.209 2.170 5.955 1.00 0.27 C ATOM 138 C THR A 10 -4.433 3.471 5.901 1.00 0.27 C ATOM 139 O THR A 10 -3.370 3.528 5.303 1.00 0.31 O ATOM 140 CB THR A 10 -6.192 2.084 4.757 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.616 2.674 3.585 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.517 2.759 5.083 1.00 0.25 C ATOM 0 H THR A 10 -6.903 2.125 7.185 1.00 0.26 H new ATOM 0 HA THR A 10 -4.513 1.335 5.871 1.00 0.27 H new ATOM 0 HB THR A 10 -6.383 1.029 4.562 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.301 2.754 2.889 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.185 2.683 4.225 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.973 2.269 5.943 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.343 3.810 5.315 1.00 0.25 H new ATOM 150 N GLU A 11 -4.943 4.499 6.556 1.00 0.25 N ATOM 151 CA GLU A 11 -4.316 5.811 6.503 1.00 0.27 C ATOM 152 C GLU A 11 -3.025 5.836 7.294 1.00 0.30 C ATOM 153 O GLU A 11 -1.995 6.298 6.808 1.00 0.32 O ATOM 154 CB GLU A 11 -5.267 6.866 7.022 1.00 0.29 C ATOM 155 CG GLU A 11 -6.595 6.830 6.316 1.00 0.41 C ATOM 156 CD GLU A 11 -7.500 7.975 6.714 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.513 8.328 7.914 1.00 1.71 O ATOM 158 OE2 GLU A 11 -8.193 8.531 5.842 1.00 1.85 O ATOM 0 H GLU A 11 -5.786 4.453 7.129 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.077 6.027 5.462 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.422 6.719 8.091 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.818 7.851 6.897 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.430 6.860 5.239 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.093 5.886 6.536 1.00 0.41 H new ATOM 165 N ARG A 12 -3.081 5.323 8.512 1.00 0.35 N ATOM 166 CA ARG A 12 -1.895 5.236 9.349 1.00 0.42 C ATOM 167 C ARG A 12 -0.886 4.307 8.698 1.00 0.43 C ATOM 168 O ARG A 12 0.319 4.524 8.764 1.00 0.47 O ATOM 169 CB ARG A 12 -2.252 4.750 10.764 1.00 0.48 C ATOM 170 CG ARG A 12 -2.956 3.403 10.826 1.00 0.49 C ATOM 171 CD ARG A 12 -1.965 2.254 10.764 1.00 0.56 C ATOM 172 NE ARG A 12 -1.096 2.240 11.934 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.215 1.381 12.941 1.00 1.35 C ATOM 174 NH1 ARG A 12 -2.113 0.402 12.891 1.00 1.86 N ATOM 175 NH2 ARG A 12 -0.428 1.500 14.002 1.00 1.95 N ATOM 0 H ARG A 12 -3.932 4.961 8.943 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.457 6.229 9.446 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.337 4.691 11.353 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.889 5.497 11.238 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.535 3.336 11.747 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.661 3.322 9.999 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -2.504 1.309 10.698 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -1.361 2.340 9.861 1.00 0.56 H new ATOM 0 HE ARG A 12 -0.349 2.933 11.983 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -2.718 0.306 12.075 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -2.197 -0.253 13.668 1.00 1.86 H new ATOM 0 HH21 ARG A 12 0.264 2.248 14.042 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -0.515 0.843 14.778 1.00 1.95 H new ATOM 189 N CYS A 13 -1.410 3.286 8.043 1.00 0.42 N ATOM 190 CA CYS A 13 -0.599 2.287 7.377 1.00 0.44 C ATOM 191 C CYS A 13 0.048 2.888 6.147 1.00 0.30 C ATOM 192 O CYS A 13 1.195 2.595 5.816 1.00 0.29 O ATOM 193 CB CYS A 13 -1.486 1.095 7.029 1.00 0.57 C ATOM 194 SG CYS A 13 -1.747 -0.038 8.409 1.00 2.16 S ATOM 0 H CYS A 13 -2.414 3.128 7.959 1.00 0.42 H new ATOM 0 HA CYS A 13 0.203 1.944 8.030 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.452 1.461 6.682 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -1.036 0.548 6.200 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.931 0.153 8.909 1.00 2.16 H new ATOM 200 N ILE A 14 -0.698 3.762 5.504 1.00 0.26 N ATOM 201 CA ILE A 14 -0.210 4.534 4.387 1.00 0.24 C ATOM 202 C ILE A 14 0.993 5.383 4.794 1.00 0.21 C ATOM 203 O ILE A 14 1.997 5.449 4.081 1.00 0.23 O ATOM 204 CB ILE A 14 -1.343 5.433 3.851 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.190 4.683 2.824 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.803 6.726 3.270 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.483 5.391 2.500 1.00 0.27 C ATOM 0 H ILE A 14 -1.669 3.956 5.747 1.00 0.26 H new ATOM 0 HA ILE A 14 0.113 3.850 3.602 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.982 5.697 4.694 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.613 4.555 1.908 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.413 3.686 3.203 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.630 7.333 2.903 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.265 7.275 4.043 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.125 6.500 2.447 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.041 4.811 1.765 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -4.078 5.496 3.407 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.265 6.378 2.093 1.00 0.27 H new ATOM 219 N GLU A 15 0.897 5.997 5.963 1.00 0.24 N ATOM 220 CA GLU A 15 1.930 6.892 6.448 1.00 0.28 C ATOM 221 C GLU A 15 3.099 6.097 6.950 1.00 0.30 C ATOM 222 O GLU A 15 4.224 6.582 7.011 1.00 0.34 O ATOM 223 CB GLU A 15 1.397 7.747 7.576 1.00 0.32 C ATOM 224 CG GLU A 15 0.202 8.591 7.175 1.00 0.33 C ATOM 225 CD GLU A 15 -0.278 9.483 8.298 1.00 0.38 C ATOM 226 OE1 GLU A 15 0.244 10.609 8.429 1.00 1.26 O ATOM 227 OE2 GLU A 15 -1.177 9.065 9.059 1.00 1.06 O ATOM 0 H GLU A 15 0.105 5.889 6.597 1.00 0.24 H new ATOM 0 HA GLU A 15 2.245 7.534 5.625 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.115 7.103 8.409 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.192 8.401 7.934 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.467 9.206 6.315 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.612 7.937 6.861 1.00 0.33 H new ATOM 234 N SER A 16 2.822 4.871 7.317 1.00 0.31 N ATOM 235 CA SER A 16 3.850 4.000 7.796 1.00 0.38 C ATOM 236 C SER A 16 4.700 3.517 6.631 1.00 0.29 C ATOM 237 O SER A 16 5.900 3.302 6.777 1.00 0.28 O ATOM 238 CB SER A 16 3.231 2.849 8.570 1.00 0.54 C ATOM 239 OG SER A 16 2.464 3.330 9.662 1.00 0.97 O ATOM 0 H SER A 16 1.889 4.459 7.291 1.00 0.31 H new ATOM 0 HA SER A 16 4.506 4.539 8.480 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.598 2.258 7.908 1.00 0.54 H new ATOM 0 HB3 SER A 16 4.016 2.187 8.935 1.00 0.54 H new ATOM 0 HG SER A 16 1.579 3.605 9.344 1.00 0.97 H new ATOM 245 N LEU A 17 4.080 3.378 5.461 1.00 0.27 N ATOM 246 CA LEU A 17 4.829 3.140 4.235 1.00 0.28 C ATOM 247 C LEU A 17 5.693 4.354 3.957 1.00 0.27 C ATOM 248 O LEU A 17 6.852 4.232 3.579 1.00 0.32 O ATOM 249 CB LEU A 17 3.894 2.905 3.053 1.00 0.29 C ATOM 250 CG LEU A 17 2.799 1.874 3.295 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.824 1.838 2.128 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.401 0.496 3.533 1.00 0.46 C ATOM 0 H LEU A 17 3.068 3.426 5.339 1.00 0.27 H new ATOM 0 HA LEU A 17 5.442 2.248 4.363 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.427 3.853 2.784 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.488 2.588 2.196 1.00 0.29 H new ATOM 0 HG LEU A 17 2.249 2.167 4.189 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.051 1.095 2.323 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.363 2.818 2.009 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.359 1.575 1.215 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.602 -0.226 3.704 1.00 0.46 H new ATOM 0 HD22 LEU A 17 3.980 0.196 2.660 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.052 0.529 4.406 1.00 0.46 H new ATOM 264 N ILE A 18 5.102 5.530 4.161 1.00 0.27 N ATOM 265 CA ILE A 18 5.824 6.790 4.061 1.00 0.30 C ATOM 266 C ILE A 18 7.052 6.766 4.963 1.00 0.28 C ATOM 267 O ILE A 18 8.144 7.143 4.547 1.00 0.30 O ATOM 268 CB ILE A 18 4.925 7.988 4.455 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.757 8.122 3.474 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.740 9.273 4.512 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.850 9.303 3.755 1.00 1.37 C ATOM 0 H ILE A 18 4.115 5.633 4.399 1.00 0.27 H new ATOM 0 HA ILE A 18 6.131 6.912 3.022 1.00 0.30 H new ATOM 0 HB ILE A 18 4.516 7.805 5.449 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.154 8.214 2.463 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.165 7.207 3.502 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.091 10.103 4.790 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.533 9.168 5.252 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.180 9.468 3.534 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.048 9.329 3.018 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.423 9.204 4.753 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.426 10.226 3.697 1.00 1.37 H new ATOM 283 N ALA A 19 6.857 6.295 6.186 1.00 0.25 N ATOM 284 CA ALA A 19 7.916 6.232 7.180 1.00 0.25 C ATOM 285 C ALA A 19 9.031 5.275 6.762 1.00 0.23 C ATOM 286 O ALA A 19 10.195 5.669 6.693 1.00 0.28 O ATOM 287 CB ALA A 19 7.334 5.824 8.524 1.00 0.28 C ATOM 0 H ALA A 19 5.958 5.945 6.517 1.00 0.25 H new ATOM 0 HA ALA A 19 8.360 7.224 7.265 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.131 5.778 9.267 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.590 6.557 8.836 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.864 4.845 8.435 1.00 0.28 H new ATOM 293 N VAL A 20 8.674 4.022 6.475 1.00 0.20 N ATOM 294 CA VAL A 20 9.665 3.014 6.102 1.00 0.22 C ATOM 295 C VAL A 20 10.373 3.419 4.824 1.00 0.23 C ATOM 296 O VAL A 20 11.596 3.275 4.692 1.00 0.27 O ATOM 297 CB VAL A 20 9.035 1.607 5.932 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.107 1.324 7.074 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.285 1.455 4.619 1.00 0.87 C ATOM 0 H VAL A 20 7.712 3.683 6.494 1.00 0.20 H new ATOM 0 HA VAL A 20 10.386 2.956 6.917 1.00 0.22 H new ATOM 0 HB VAL A 20 9.855 0.889 5.923 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.668 0.334 6.949 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.662 1.359 8.011 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.315 2.073 7.094 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.865 0.451 4.554 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.480 2.189 4.573 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.971 1.616 3.787 1.00 0.87 H new ATOM 309 N PHE A 21 9.601 3.950 3.891 1.00 0.23 N ATOM 310 CA PHE A 21 10.165 4.417 2.640 1.00 0.25 C ATOM 311 C PHE A 21 11.157 5.544 2.890 1.00 0.29 C ATOM 312 O PHE A 21 12.286 5.498 2.422 1.00 0.35 O ATOM 313 CB PHE A 21 9.072 4.895 1.688 1.00 0.26 C ATOM 314 CG PHE A 21 9.615 5.424 0.393 1.00 0.91 C ATOM 315 CD1 PHE A 21 9.952 4.562 -0.632 1.00 1.59 C ATOM 316 CD2 PHE A 21 9.797 6.785 0.207 1.00 1.85 C ATOM 317 CE1 PHE A 21 10.462 5.043 -1.819 1.00 2.17 C ATOM 318 CE2 PHE A 21 10.305 7.273 -0.978 1.00 2.48 C ATOM 319 CZ PHE A 21 10.639 6.402 -1.993 1.00 2.40 C ATOM 0 H PHE A 21 8.591 4.067 3.976 1.00 0.23 H new ATOM 0 HA PHE A 21 10.685 3.578 2.177 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.392 4.069 1.480 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.487 5.675 2.176 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.814 3.499 -0.502 1.00 1.59 H new ATOM 0 HD2 PHE A 21 9.538 7.471 1.000 1.00 1.85 H new ATOM 0 HE1 PHE A 21 10.723 4.358 -2.612 1.00 2.17 H new ATOM 0 HE2 PHE A 21 10.441 8.336 -1.111 1.00 2.48 H new ATOM 0 HZ PHE A 21 11.038 6.781 -2.922 1.00 2.40 H new ATOM 329 N GLN A 22 10.732 6.536 3.657 1.00 0.30 N ATOM 330 CA GLN A 22 11.508 7.750 3.842 1.00 0.37 C ATOM 331 C GLN A 22 12.775 7.488 4.650 1.00 0.36 C ATOM 332 O GLN A 22 13.776 8.174 4.473 1.00 0.44 O ATOM 333 CB GLN A 22 10.636 8.818 4.514 1.00 0.47 C ATOM 334 CG GLN A 22 11.183 10.233 4.414 1.00 1.12 C ATOM 335 CD GLN A 22 12.182 10.569 5.504 1.00 1.98 C ATOM 336 OE1 GLN A 22 12.106 10.045 6.617 1.00 2.68 O ATOM 337 NE2 GLN A 22 13.122 11.445 5.193 1.00 2.66 N ATOM 0 H GLN A 22 9.847 6.522 4.164 1.00 0.30 H new ATOM 0 HA GLN A 22 11.825 8.112 2.864 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.643 8.793 4.065 1.00 0.47 H new ATOM 0 HB3 GLN A 22 10.516 8.562 5.567 1.00 0.47 H new ATOM 0 HG2 GLN A 22 11.659 10.363 3.442 1.00 1.12 H new ATOM 0 HG3 GLN A 22 10.354 10.939 4.460 1.00 1.12 H new ATOM 0 HE21 GLN A 22 13.148 11.855 4.259 1.00 2.66 H new ATOM 0 HE22 GLN A 22 13.821 11.711 5.887 1.00 2.66 H new ATOM 346 N LYS A 23 12.750 6.490 5.521 1.00 0.35 N ATOM 347 CA LYS A 23 13.914 6.212 6.345 1.00 0.39 C ATOM 348 C LYS A 23 15.018 5.536 5.533 1.00 0.40 C ATOM 349 O LYS A 23 16.202 5.797 5.747 1.00 0.49 O ATOM 350 CB LYS A 23 13.537 5.362 7.559 1.00 0.41 C ATOM 351 CG LYS A 23 13.046 3.982 7.228 1.00 0.42 C ATOM 352 CD LYS A 23 12.410 3.356 8.440 1.00 0.63 C ATOM 353 CE LYS A 23 12.424 1.853 8.333 1.00 0.63 C ATOM 354 NZ LYS A 23 11.718 1.196 9.467 1.00 0.91 N ATOM 0 H LYS A 23 11.954 5.871 5.673 1.00 0.35 H new ATOM 0 HA LYS A 23 14.299 7.166 6.705 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.406 5.277 8.211 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.764 5.882 8.125 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.324 4.030 6.413 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.876 3.365 6.883 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.944 3.667 9.338 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.384 3.709 8.541 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.956 1.554 7.395 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.456 1.504 8.300 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.280 0.312 9.138 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 12.399 0.984 10.224 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.981 1.832 9.833 1.00 0.91 H new ATOM 368 N TYR A 24 14.641 4.668 4.602 1.00 0.36 N ATOM 369 CA TYR A 24 15.630 4.010 3.761 1.00 0.39 C ATOM 370 C TYR A 24 15.980 4.843 2.535 1.00 0.34 C ATOM 371 O TYR A 24 17.146 4.959 2.168 1.00 0.40 O ATOM 372 CB TYR A 24 15.162 2.621 3.357 1.00 0.46 C ATOM 373 CG TYR A 24 15.584 1.553 4.340 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.840 0.967 4.249 1.00 1.52 C ATOM 375 CD2 TYR A 24 14.739 1.134 5.360 1.00 1.67 C ATOM 376 CE1 TYR A 24 17.242 -0.005 5.142 1.00 1.83 C ATOM 377 CE2 TYR A 24 15.135 0.161 6.258 1.00 1.99 C ATOM 378 CZ TYR A 24 16.387 -0.406 6.144 1.00 1.72 C ATOM 379 OH TYR A 24 16.786 -1.372 7.038 1.00 2.15 O ATOM 0 H TYR A 24 13.673 4.407 4.413 1.00 0.36 H new ATOM 0 HA TYR A 24 16.540 3.907 4.353 1.00 0.39 H new ATOM 0 HB2 TYR A 24 14.075 2.620 3.270 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.561 2.380 2.372 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.514 1.278 3.465 1.00 1.52 H new ATOM 0 HD2 TYR A 24 13.758 1.575 5.453 1.00 1.67 H new ATOM 0 HE1 TYR A 24 18.223 -0.449 5.055 1.00 1.83 H new ATOM 0 HE2 TYR A 24 14.467 -0.154 7.046 1.00 1.99 H new ATOM 0 HH TYR A 24 16.568 -2.258 6.681 1.00 2.15 H new ATOM 389 N ALA A 25 14.974 5.431 1.909 1.00 0.29 N ATOM 390 CA ALA A 25 15.192 6.277 0.746 1.00 0.34 C ATOM 391 C ALA A 25 15.868 7.577 1.156 1.00 0.47 C ATOM 392 O ALA A 25 16.572 8.206 0.368 1.00 0.58 O ATOM 393 CB ALA A 25 13.872 6.568 0.052 1.00 0.37 C ATOM 0 H ALA A 25 13.997 5.338 2.187 1.00 0.29 H new ATOM 0 HA ALA A 25 15.845 5.749 0.050 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.050 7.202 -0.817 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.416 5.632 -0.269 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.202 7.079 0.744 1.00 0.37 H new ATOM 399 N GLY A 26 15.659 7.959 2.409 1.00 0.49 N ATOM 400 CA GLY A 26 16.233 9.188 2.932 1.00 0.64 C ATOM 401 C GLY A 26 17.742 9.122 3.068 1.00 0.75 C ATOM 402 O GLY A 26 18.395 10.137 3.306 1.00 0.96 O ATOM 0 H GLY A 26 15.097 7.435 3.080 1.00 0.49 H new ATOM 0 HA2 GLY A 26 15.968 10.016 2.274 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.794 9.402 3.906 1.00 0.64 H new ATOM 503 N THR A 33 14.205 8.692 -3.310 1.00 0.67 N ATOM 504 CA THR A 33 13.967 7.477 -4.063 1.00 0.46 C ATOM 505 C THR A 33 14.838 6.390 -3.471 1.00 0.38 C ATOM 506 O THR A 33 15.973 6.643 -3.064 1.00 0.44 O ATOM 507 CB THR A 33 14.313 7.706 -5.549 1.00 0.45 C ATOM 508 OG1 THR A 33 14.029 9.070 -5.892 1.00 0.66 O ATOM 509 CG2 THR A 33 13.509 6.793 -6.459 1.00 0.43 C ATOM 0 HA THR A 33 12.918 7.185 -4.006 1.00 0.46 H new ATOM 0 HB THR A 33 15.371 7.482 -5.688 1.00 0.45 H new ATOM 0 HG1 THR A 33 14.048 9.622 -5.082 1.00 0.66 H new ATOM 0 HG21 THR A 33 13.780 6.984 -7.497 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.724 5.753 -6.213 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.445 6.986 -6.321 1.00 0.43 H new ATOM 517 N LEU A 34 14.303 5.196 -3.389 1.00 0.32 N ATOM 518 CA LEU A 34 14.988 4.116 -2.724 1.00 0.30 C ATOM 519 C LEU A 34 15.914 3.434 -3.701 1.00 0.31 C ATOM 520 O LEU A 34 15.492 2.637 -4.534 1.00 0.34 O ATOM 521 CB LEU A 34 13.935 3.155 -2.165 1.00 0.30 C ATOM 522 CG LEU A 34 14.016 2.883 -0.667 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.740 2.219 -0.172 1.00 0.45 C ATOM 524 CD2 LEU A 34 15.209 2.012 -0.353 1.00 0.28 C ATOM 0 H LEU A 34 13.392 4.948 -3.776 1.00 0.32 H new ATOM 0 HA LEU A 34 15.598 4.483 -1.898 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.947 3.557 -2.390 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.020 2.205 -2.693 1.00 0.30 H new ATOM 0 HG LEU A 34 14.133 3.837 -0.153 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.818 2.033 0.899 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.890 2.874 -0.366 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.596 1.273 -0.694 1.00 0.45 H new ATOM 0 HD21 LEU A 34 15.252 1.827 0.720 1.00 0.28 H new ATOM 0 HD22 LEU A 34 15.116 1.063 -0.881 1.00 0.28 H new ATOM 0 HD23 LEU A 34 16.121 2.516 -0.671 1.00 0.28 H new ATOM 536 N SER A 35 17.191 3.772 -3.578 1.00 0.32 N ATOM 537 CA SER A 35 18.208 3.276 -4.478 1.00 0.33 C ATOM 538 C SER A 35 18.335 1.772 -4.335 1.00 0.32 C ATOM 539 O SER A 35 17.911 1.210 -3.329 1.00 0.30 O ATOM 540 CB SER A 35 19.542 3.970 -4.197 1.00 0.37 C ATOM 541 OG SER A 35 20.522 3.618 -5.159 1.00 0.40 O ATOM 0 H SER A 35 17.544 4.396 -2.852 1.00 0.32 H new ATOM 0 HA SER A 35 17.920 3.499 -5.505 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.399 5.051 -4.200 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.893 3.697 -3.202 1.00 0.37 H new ATOM 0 HG SER A 35 21.362 4.078 -4.954 1.00 0.40 H new ATOM 547 N LYS A 36 18.914 1.129 -5.336 1.00 0.38 N ATOM 548 CA LYS A 36 18.948 -0.322 -5.385 1.00 0.42 C ATOM 549 C LYS A 36 19.512 -0.907 -4.099 1.00 0.36 C ATOM 550 O LYS A 36 18.834 -1.673 -3.429 1.00 0.35 O ATOM 551 CB LYS A 36 19.741 -0.808 -6.593 1.00 0.53 C ATOM 552 CG LYS A 36 19.535 -2.283 -6.885 1.00 0.62 C ATOM 553 CD LYS A 36 20.231 -2.702 -8.164 1.00 0.66 C ATOM 554 CE LYS A 36 19.904 -4.141 -8.517 1.00 0.61 C ATOM 555 NZ LYS A 36 20.603 -4.586 -9.749 1.00 0.65 N ATOM 0 H LYS A 36 19.367 1.590 -6.125 1.00 0.38 H new ATOM 0 HA LYS A 36 17.921 -0.672 -5.488 1.00 0.42 H new ATOM 0 HB2 LYS A 36 19.452 -0.226 -7.468 1.00 0.53 H new ATOM 0 HB3 LYS A 36 20.801 -0.622 -6.423 1.00 0.53 H new ATOM 0 HG2 LYS A 36 19.915 -2.876 -6.053 1.00 0.62 H new ATOM 0 HG3 LYS A 36 18.468 -2.493 -6.965 1.00 0.62 H new ATOM 0 HD2 LYS A 36 19.926 -2.046 -8.979 1.00 0.66 H new ATOM 0 HD3 LYS A 36 21.309 -2.588 -8.049 1.00 0.66 H new ATOM 0 HE2 LYS A 36 20.184 -4.790 -7.687 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.828 -4.245 -8.654 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.489 -5.614 -9.861 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.195 -4.101 -10.574 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.615 -4.355 -9.677 1.00 0.65 H new ATOM 569 N THR A 37 20.724 -0.516 -3.732 1.00 0.37 N ATOM 570 CA THR A 37 21.348 -1.031 -2.518 1.00 0.38 C ATOM 571 C THR A 37 20.546 -0.655 -1.269 1.00 0.36 C ATOM 572 O THR A 37 20.471 -1.426 -0.310 1.00 0.38 O ATOM 573 CB THR A 37 22.787 -0.520 -2.365 1.00 0.44 C ATOM 574 OG1 THR A 37 23.537 -0.811 -3.554 1.00 0.48 O ATOM 575 CG2 THR A 37 23.454 -1.175 -1.166 1.00 0.49 C ATOM 0 H THR A 37 21.293 0.152 -4.252 1.00 0.37 H new ATOM 0 HA THR A 37 21.364 -2.117 -2.615 1.00 0.38 H new ATOM 0 HB THR A 37 22.761 0.559 -2.210 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.454 -0.481 -3.451 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.474 -0.804 -1.069 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.893 -0.936 -0.262 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.473 -2.256 -1.306 1.00 0.49 H new ATOM 583 N GLU A 38 19.921 0.513 -1.298 1.00 0.34 N ATOM 584 CA GLU A 38 19.113 0.965 -0.173 1.00 0.34 C ATOM 585 C GLU A 38 17.871 0.098 -0.073 1.00 0.34 C ATOM 586 O GLU A 38 17.371 -0.175 1.016 1.00 0.48 O ATOM 587 CB GLU A 38 18.727 2.443 -0.315 1.00 0.35 C ATOM 588 CG GLU A 38 19.820 3.424 0.101 1.00 0.47 C ATOM 589 CD GLU A 38 21.101 3.290 -0.697 1.00 1.27 C ATOM 590 OE1 GLU A 38 21.908 2.392 -0.387 1.00 1.96 O ATOM 591 OE2 GLU A 38 21.313 4.089 -1.631 1.00 2.16 O ATOM 0 H GLU A 38 19.957 1.163 -2.084 1.00 0.34 H new ATOM 0 HA GLU A 38 19.702 0.871 0.740 1.00 0.34 H new ATOM 0 HB2 GLU A 38 18.458 2.637 -1.353 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.838 2.633 0.286 1.00 0.35 H new ATOM 0 HG2 GLU A 38 19.442 4.441 -0.005 1.00 0.47 H new ATOM 0 HG3 GLU A 38 20.044 3.276 1.157 1.00 0.47 H new ATOM 598 N PHE A 39 17.401 -0.353 -1.226 1.00 0.29 N ATOM 599 CA PHE A 39 16.242 -1.216 -1.311 1.00 0.31 C ATOM 600 C PHE A 39 16.630 -2.634 -0.953 1.00 0.28 C ATOM 601 O PHE A 39 15.847 -3.377 -0.375 1.00 0.27 O ATOM 602 CB PHE A 39 15.665 -1.175 -2.722 1.00 0.53 C ATOM 603 CG PHE A 39 14.399 -1.959 -2.876 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.263 -1.598 -2.178 1.00 1.78 C ATOM 605 CD2 PHE A 39 14.348 -3.056 -3.720 1.00 1.76 C ATOM 606 CE1 PHE A 39 12.096 -2.316 -2.315 1.00 2.66 C ATOM 607 CE2 PHE A 39 13.182 -3.778 -3.863 1.00 2.62 C ATOM 608 CZ PHE A 39 12.054 -3.408 -3.160 1.00 2.88 C ATOM 0 H PHE A 39 17.817 -0.128 -2.130 1.00 0.29 H new ATOM 0 HA PHE A 39 15.485 -0.866 -0.609 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.476 -0.138 -2.998 1.00 0.53 H new ATOM 0 HB3 PHE A 39 16.408 -1.560 -3.420 1.00 0.53 H new ATOM 0 HD1 PHE A 39 13.290 -0.744 -1.518 1.00 1.78 H new ATOM 0 HD2 PHE A 39 15.230 -3.349 -4.271 1.00 1.76 H new ATOM 0 HE1 PHE A 39 11.215 -2.026 -1.762 1.00 2.66 H new ATOM 0 HE2 PHE A 39 13.152 -4.632 -4.524 1.00 2.62 H new ATOM 0 HZ PHE A 39 11.139 -3.971 -3.270 1.00 2.88 H new ATOM 618 N LEU A 40 17.847 -3.001 -1.310 1.00 0.33 N ATOM 619 CA LEU A 40 18.387 -4.292 -0.944 1.00 0.37 C ATOM 620 C LEU A 40 18.442 -4.399 0.570 1.00 0.40 C ATOM 621 O LEU A 40 17.997 -5.385 1.155 1.00 0.43 O ATOM 622 CB LEU A 40 19.786 -4.475 -1.538 1.00 0.43 C ATOM 623 CG LEU A 40 19.890 -4.313 -3.060 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.117 -5.028 -3.601 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.626 -4.794 -3.752 1.00 0.46 C ATOM 0 H LEU A 40 18.481 -2.418 -1.856 1.00 0.33 H new ATOM 0 HA LEU A 40 17.743 -5.077 -1.341 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.457 -3.756 -1.068 1.00 0.43 H new ATOM 0 HB3 LEU A 40 20.146 -5.469 -1.272 1.00 0.43 H new ATOM 0 HG LEU A 40 20.000 -3.250 -3.275 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.167 -4.898 -4.682 1.00 1.07 H new ATOM 0 HD12 LEU A 40 22.013 -4.610 -3.143 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.052 -6.090 -3.366 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.730 -4.666 -4.829 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.466 -5.848 -3.525 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.774 -4.213 -3.398 1.00 0.46 H new ATOM 637 N SER A 41 18.965 -3.356 1.194 1.00 0.42 N ATOM 638 CA SER A 41 19.002 -3.266 2.641 1.00 0.52 C ATOM 639 C SER A 41 17.577 -3.233 3.189 1.00 0.45 C ATOM 640 O SER A 41 17.250 -3.961 4.126 1.00 0.47 O ATOM 641 CB SER A 41 19.780 -2.014 3.063 1.00 0.67 C ATOM 642 OG SER A 41 19.965 -1.959 4.468 1.00 1.40 O ATOM 0 H SER A 41 19.373 -2.554 0.714 1.00 0.42 H new ATOM 0 HA SER A 41 19.510 -4.139 3.050 1.00 0.52 H new ATOM 0 HB2 SER A 41 20.751 -2.005 2.568 1.00 0.67 H new ATOM 0 HB3 SER A 41 19.245 -1.124 2.731 1.00 0.67 H new ATOM 0 HG SER A 41 20.465 -1.149 4.701 1.00 1.40 H new ATOM 648 N PHE A 42 16.733 -2.398 2.578 1.00 0.42 N ATOM 649 CA PHE A 42 15.324 -2.294 2.949 1.00 0.46 C ATOM 650 C PHE A 42 14.651 -3.648 2.925 1.00 0.29 C ATOM 651 O PHE A 42 14.175 -4.129 3.932 1.00 0.43 O ATOM 652 CB PHE A 42 14.573 -1.373 1.988 1.00 0.80 C ATOM 653 CG PHE A 42 13.126 -1.194 2.361 1.00 1.89 C ATOM 654 CD1 PHE A 42 12.741 -0.173 3.210 1.00 2.77 C ATOM 655 CD2 PHE A 42 12.154 -2.060 1.883 1.00 2.69 C ATOM 656 CE1 PHE A 42 11.421 -0.016 3.576 1.00 3.80 C ATOM 657 CE2 PHE A 42 10.832 -1.907 2.244 1.00 3.73 C ATOM 658 CZ PHE A 42 10.465 -0.884 3.093 1.00 4.13 C ATOM 0 H PHE A 42 17.008 -1.778 1.816 1.00 0.42 H new ATOM 0 HA PHE A 42 15.292 -1.885 3.959 1.00 0.46 H new ATOM 0 HB2 PHE A 42 15.062 -0.399 1.970 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.635 -1.780 0.979 1.00 0.80 H new ATOM 0 HD1 PHE A 42 13.484 0.511 3.592 1.00 2.77 H new ATOM 0 HD2 PHE A 42 12.436 -2.864 1.220 1.00 2.69 H new ATOM 0 HE1 PHE A 42 11.136 0.786 4.241 1.00 3.80 H new ATOM 0 HE2 PHE A 42 10.085 -2.587 1.862 1.00 3.73 H new ATOM 0 HZ PHE A 42 9.431 -0.763 3.379 1.00 4.13 H new ATOM 668 N MET A 43 14.611 -4.254 1.767 1.00 0.26 N ATOM 669 CA MET A 43 13.811 -5.443 1.576 1.00 0.29 C ATOM 670 C MET A 43 14.378 -6.644 2.325 1.00 0.29 C ATOM 671 O MET A 43 13.643 -7.563 2.655 1.00 0.37 O ATOM 672 CB MET A 43 13.680 -5.739 0.097 1.00 0.39 C ATOM 673 CG MET A 43 12.423 -6.518 -0.253 1.00 0.62 C ATOM 674 SD MET A 43 12.021 -6.476 -2.008 1.00 1.22 S ATOM 675 CE MET A 43 10.562 -7.511 -2.036 1.00 2.26 C ATOM 0 H MET A 43 15.122 -3.946 0.940 1.00 0.26 H new ATOM 0 HA MET A 43 12.822 -5.253 1.993 1.00 0.29 H new ATOM 0 HB2 MET A 43 13.682 -4.800 -0.456 1.00 0.39 H new ATOM 0 HB3 MET A 43 14.552 -6.304 -0.232 1.00 0.39 H new ATOM 0 HG2 MET A 43 12.548 -7.555 0.059 1.00 0.62 H new ATOM 0 HG3 MET A 43 11.584 -6.114 0.314 1.00 0.62 H new ATOM 0 HE1 MET A 43 9.964 -7.274 -2.916 1.00 2.26 H new ATOM 0 HE2 MET A 43 10.860 -8.559 -2.072 1.00 2.26 H new ATOM 0 HE3 MET A 43 9.972 -7.332 -1.137 1.00 2.26 H new ATOM 685 N ASN A 44 15.671 -6.648 2.611 1.00 0.29 N ATOM 686 CA ASN A 44 16.235 -7.722 3.425 1.00 0.33 C ATOM 687 C ASN A 44 15.954 -7.491 4.903 1.00 0.32 C ATOM 688 O ASN A 44 16.143 -8.391 5.717 1.00 0.39 O ATOM 689 CB ASN A 44 17.742 -7.877 3.235 1.00 0.42 C ATOM 690 CG ASN A 44 18.125 -8.690 2.011 1.00 1.05 C ATOM 691 OD1 ASN A 44 18.144 -9.918 2.048 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.474 -8.013 0.934 1.00 1.83 N ATOM 0 H ASN A 44 16.338 -5.941 2.302 1.00 0.29 H new ATOM 0 HA ASN A 44 15.750 -8.638 3.088 1.00 0.33 H new ATOM 0 HB2 ASN A 44 18.193 -6.888 3.158 1.00 0.42 H new ATOM 0 HB3 ASN A 44 18.164 -8.351 4.121 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.772 -8.509 0.094 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.445 -6.993 0.941 1.00 1.83 H new ATOM 699 N THR A 45 15.541 -6.283 5.259 1.00 0.26 N ATOM 700 CA THR A 45 15.212 -5.991 6.656 1.00 0.29 C ATOM 701 C THR A 45 13.710 -5.897 6.874 1.00 0.28 C ATOM 702 O THR A 45 13.112 -6.708 7.581 1.00 0.34 O ATOM 703 CB THR A 45 15.857 -4.676 7.136 1.00 0.29 C ATOM 704 OG1 THR A 45 15.652 -3.641 6.169 1.00 0.34 O ATOM 705 CG2 THR A 45 17.344 -4.858 7.380 1.00 0.34 C ATOM 0 H THR A 45 15.426 -5.499 4.617 1.00 0.26 H new ATOM 0 HA THR A 45 15.612 -6.823 7.236 1.00 0.29 H new ATOM 0 HB THR A 45 15.382 -4.392 8.075 1.00 0.29 H new ATOM 0 HG1 THR A 45 16.281 -3.758 5.427 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.775 -3.916 7.718 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.497 -5.621 8.143 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.829 -5.168 6.455 1.00 0.34 H new ATOM 713 N GLU A 46 13.109 -4.925 6.219 1.00 0.23 N ATOM 714 CA GLU A 46 11.712 -4.612 6.404 1.00 0.25 C ATOM 715 C GLU A 46 10.829 -5.581 5.633 1.00 0.25 C ATOM 716 O GLU A 46 9.626 -5.622 5.833 1.00 0.34 O ATOM 717 CB GLU A 46 11.433 -3.177 5.960 1.00 0.29 C ATOM 718 CG GLU A 46 12.334 -2.149 6.627 1.00 0.58 C ATOM 719 CD GLU A 46 12.187 -2.126 8.136 1.00 1.17 C ATOM 720 OE1 GLU A 46 12.864 -2.922 8.819 1.00 1.68 O ATOM 721 OE2 GLU A 46 11.405 -1.303 8.649 1.00 1.70 O ATOM 0 H GLU A 46 13.581 -4.328 5.540 1.00 0.23 H new ATOM 0 HA GLU A 46 11.478 -4.710 7.464 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.556 -3.109 4.879 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.393 -2.933 6.178 1.00 0.29 H new ATOM 0 HG2 GLU A 46 13.372 -2.363 6.371 1.00 0.58 H new ATOM 0 HG3 GLU A 46 12.105 -1.160 6.230 1.00 0.58 H new ATOM 728 N LEU A 47 11.419 -6.351 4.739 1.00 0.25 N ATOM 729 CA LEU A 47 10.657 -7.341 3.994 1.00 0.26 C ATOM 730 C LEU A 47 11.379 -8.668 3.958 1.00 0.28 C ATOM 731 O LEU A 47 11.226 -9.446 3.017 1.00 0.30 O ATOM 732 CB LEU A 47 10.389 -6.845 2.583 1.00 0.26 C ATOM 733 CG LEU A 47 9.514 -5.600 2.511 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.465 -5.067 1.094 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.115 -5.915 3.022 1.00 0.27 C ATOM 0 H LEU A 47 12.412 -6.313 4.511 1.00 0.25 H new ATOM 0 HA LEU A 47 9.704 -7.490 4.502 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.342 -6.634 2.098 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.912 -7.643 2.014 1.00 0.26 H new ATOM 0 HG LEU A 47 9.947 -4.827 3.146 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.836 -4.178 1.061 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.473 -4.811 0.767 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.052 -5.829 0.433 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.497 -5.019 2.967 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.672 -6.700 2.409 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.173 -6.252 4.057 1.00 0.27 H new ATOM 747 N ALA A 48 12.180 -8.915 4.980 1.00 0.32 N ATOM 748 CA ALA A 48 12.904 -10.167 5.101 1.00 0.36 C ATOM 749 C ALA A 48 11.947 -11.356 5.129 1.00 0.39 C ATOM 750 O ALA A 48 12.308 -12.461 4.725 1.00 0.44 O ATOM 751 CB ALA A 48 13.773 -10.140 6.340 1.00 0.41 C ATOM 0 H ALA A 48 12.346 -8.259 5.743 1.00 0.32 H new ATOM 0 HA ALA A 48 13.544 -10.285 4.227 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.314 -11.082 6.426 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.485 -9.318 6.267 1.00 0.41 H new ATOM 0 HB3 ALA A 48 13.146 -10.000 7.221 1.00 0.41 H new ATOM 757 N ALA A 49 10.724 -11.112 5.590 1.00 0.38 N ATOM 758 CA ALA A 49 9.673 -12.124 5.572 1.00 0.41 C ATOM 759 C ALA A 49 9.455 -12.638 4.157 1.00 0.41 C ATOM 760 O ALA A 49 9.267 -13.836 3.933 1.00 0.47 O ATOM 761 CB ALA A 49 8.383 -11.536 6.115 1.00 0.44 C ATOM 0 H ALA A 49 10.435 -10.216 5.983 1.00 0.38 H new ATOM 0 HA ALA A 49 9.980 -12.959 6.202 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.602 -12.296 6.099 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.540 -11.198 7.139 1.00 0.44 H new ATOM 0 HB3 ALA A 49 8.080 -10.691 5.497 1.00 0.44 H new ATOM 767 N PHE A 50 9.491 -11.717 3.209 1.00 0.36 N ATOM 768 CA PHE A 50 9.341 -12.049 1.805 1.00 0.37 C ATOM 769 C PHE A 50 10.689 -12.452 1.218 1.00 0.38 C ATOM 770 O PHE A 50 10.843 -13.542 0.682 1.00 0.44 O ATOM 771 CB PHE A 50 8.785 -10.842 1.045 1.00 0.35 C ATOM 772 CG PHE A 50 8.438 -11.131 -0.391 1.00 0.70 C ATOM 773 CD1 PHE A 50 7.190 -11.630 -0.727 1.00 1.32 C ATOM 774 CD2 PHE A 50 9.357 -10.898 -1.403 1.00 1.63 C ATOM 775 CE1 PHE A 50 6.865 -11.893 -2.043 1.00 1.66 C ATOM 776 CE2 PHE A 50 9.037 -11.161 -2.722 1.00 2.09 C ATOM 777 CZ PHE A 50 7.790 -11.659 -3.042 1.00 1.80 C ATOM 0 H PHE A 50 9.625 -10.722 3.391 1.00 0.36 H new ATOM 0 HA PHE A 50 8.648 -12.885 1.709 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.894 -10.481 1.558 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.519 -10.036 1.076 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.463 -11.815 0.050 1.00 1.32 H new ATOM 0 HD2 PHE A 50 10.333 -10.507 -1.158 1.00 1.63 H new ATOM 0 HE1 PHE A 50 5.888 -12.281 -2.291 1.00 1.66 H new ATOM 0 HE2 PHE A 50 9.762 -10.977 -3.501 1.00 2.09 H new ATOM 0 HZ PHE A 50 7.538 -11.865 -4.072 1.00 1.80 H new ATOM 787 N THR A 51 11.660 -11.564 1.372 1.00 0.36 N ATOM 788 CA THR A 51 12.972 -11.701 0.755 1.00 0.40 C ATOM 789 C THR A 51 13.675 -13.001 1.132 1.00 0.45 C ATOM 790 O THR A 51 14.034 -13.799 0.263 1.00 0.54 O ATOM 791 CB THR A 51 13.859 -10.521 1.167 1.00 0.39 C ATOM 792 OG1 THR A 51 13.276 -9.303 0.708 1.00 0.39 O ATOM 793 CG2 THR A 51 15.269 -10.669 0.618 1.00 0.49 C ATOM 0 H THR A 51 11.559 -10.719 1.935 1.00 0.36 H new ATOM 0 HA THR A 51 12.813 -11.714 -0.323 1.00 0.40 H new ATOM 0 HB THR A 51 13.928 -10.506 2.255 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.206 -8.672 1.455 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.872 -9.816 0.929 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.714 -11.587 1.002 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.233 -10.711 -0.471 1.00 0.49 H new ATOM 801 N LYS A 52 13.857 -13.219 2.427 1.00 0.48 N ATOM 802 CA LYS A 52 14.655 -14.342 2.900 1.00 0.60 C ATOM 803 C LYS A 52 13.950 -15.658 2.611 1.00 0.69 C ATOM 804 O LYS A 52 14.562 -16.728 2.633 1.00 0.84 O ATOM 805 CB LYS A 52 14.913 -14.228 4.401 1.00 0.70 C ATOM 806 CG LYS A 52 15.536 -12.906 4.832 1.00 0.78 C ATOM 807 CD LYS A 52 16.833 -12.608 4.098 1.00 1.07 C ATOM 808 CE LYS A 52 17.552 -11.407 4.698 1.00 1.24 C ATOM 809 NZ LYS A 52 18.036 -11.674 6.078 1.00 1.82 N ATOM 0 H LYS A 52 13.465 -12.636 3.166 1.00 0.48 H new ATOM 0 HA LYS A 52 15.608 -14.320 2.371 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.970 -14.362 4.931 1.00 0.70 H new ATOM 0 HB3 LYS A 52 15.569 -15.042 4.708 1.00 0.70 H new ATOM 0 HG2 LYS A 52 14.827 -12.098 4.653 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.727 -12.930 5.905 1.00 0.78 H new ATOM 0 HD2 LYS A 52 17.484 -13.481 4.139 1.00 1.07 H new ATOM 0 HD3 LYS A 52 16.621 -12.418 3.046 1.00 1.07 H new ATOM 0 HE2 LYS A 52 18.397 -11.138 4.064 1.00 1.24 H new ATOM 0 HE3 LYS A 52 16.877 -10.551 4.711 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 18.751 -10.965 6.338 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 17.238 -11.621 6.742 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 18.458 -12.623 6.120 1.00 1.82 H new ATOM 902 N GLY A 58 18.278 -12.286 -4.982 1.00 0.67 N ATOM 903 CA GLY A 58 18.239 -11.869 -6.368 1.00 0.56 C ATOM 904 C GLY A 58 16.839 -11.484 -6.785 1.00 0.49 C ATOM 905 O GLY A 58 16.631 -10.887 -7.839 1.00 0.48 O ATOM 0 HA2 GLY A 58 18.910 -11.023 -6.515 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.601 -12.677 -7.004 1.00 0.56 H new ATOM 909 N VAL A 59 15.876 -11.834 -5.948 1.00 0.52 N ATOM 910 CA VAL A 59 14.496 -11.465 -6.175 1.00 0.52 C ATOM 911 C VAL A 59 14.319 -9.961 -6.104 1.00 0.49 C ATOM 912 O VAL A 59 13.579 -9.392 -6.896 1.00 0.49 O ATOM 913 CB VAL A 59 13.548 -12.134 -5.162 1.00 0.61 C ATOM 914 CG1 VAL A 59 13.959 -11.809 -3.736 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.113 -11.700 -5.410 1.00 0.66 C ATOM 0 H VAL A 59 16.031 -12.378 -5.099 1.00 0.52 H new ATOM 0 HA VAL A 59 14.239 -11.816 -7.174 1.00 0.52 H new ATOM 0 HB VAL A 59 13.615 -13.213 -5.298 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.274 -12.293 -3.040 1.00 0.65 H new ATOM 0 HG12 VAL A 59 14.972 -12.170 -3.558 1.00 0.65 H new ATOM 0 HG13 VAL A 59 13.927 -10.730 -3.585 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.457 -12.182 -4.685 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.037 -10.618 -5.305 1.00 0.66 H new ATOM 0 HG23 VAL A 59 11.815 -11.988 -6.418 1.00 0.66 H new ATOM 925 N LEU A 60 15.022 -9.321 -5.177 1.00 0.48 N ATOM 926 CA LEU A 60 14.910 -7.876 -5.002 1.00 0.46 C ATOM 927 C LEU A 60 15.354 -7.184 -6.271 1.00 0.43 C ATOM 928 O LEU A 60 14.942 -6.069 -6.580 1.00 0.41 O ATOM 929 CB LEU A 60 15.770 -7.380 -3.843 1.00 0.48 C ATOM 930 CG LEU A 60 15.798 -8.281 -2.614 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.597 -7.631 -1.500 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.392 -8.593 -2.155 1.00 0.52 C ATOM 0 H LEU A 60 15.673 -9.776 -4.537 1.00 0.48 H new ATOM 0 HA LEU A 60 13.868 -7.645 -4.779 1.00 0.46 H new ATOM 0 HB2 LEU A 60 16.792 -7.251 -4.201 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.411 -6.396 -3.542 1.00 0.48 H new ATOM 0 HG LEU A 60 16.285 -9.219 -2.881 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.608 -8.287 -0.629 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.619 -7.460 -1.838 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.139 -6.679 -1.232 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.431 -9.237 -1.277 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.877 -7.666 -1.903 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.853 -9.101 -2.954 1.00 0.52 H new ATOM 944 N ASP A 61 16.193 -7.889 -7.000 1.00 0.46 N ATOM 945 CA ASP A 61 16.706 -7.412 -8.272 1.00 0.46 C ATOM 946 C ASP A 61 15.591 -7.424 -9.302 1.00 0.47 C ATOM 947 O ASP A 61 15.439 -6.497 -10.098 1.00 0.51 O ATOM 948 CB ASP A 61 17.865 -8.296 -8.732 1.00 0.47 C ATOM 949 CG ASP A 61 18.555 -7.763 -9.973 1.00 0.48 C ATOM 950 OD1 ASP A 61 18.097 -8.067 -11.092 1.00 1.19 O ATOM 951 OD2 ASP A 61 19.569 -7.048 -9.835 1.00 1.22 O ATOM 0 H ASP A 61 16.540 -8.809 -6.730 1.00 0.46 H new ATOM 0 HA ASP A 61 17.073 -6.392 -8.157 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.593 -8.381 -7.925 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.492 -9.301 -8.932 1.00 0.47 H new ATOM 956 N ARG A 62 14.794 -8.476 -9.240 1.00 0.47 N ATOM 957 CA ARG A 62 13.652 -8.645 -10.122 1.00 0.51 C ATOM 958 C ARG A 62 12.556 -7.657 -9.737 1.00 0.50 C ATOM 959 O ARG A 62 11.833 -7.141 -10.591 1.00 0.56 O ATOM 960 CB ARG A 62 13.130 -10.079 -10.013 1.00 0.55 C ATOM 961 CG ARG A 62 14.237 -11.122 -10.006 1.00 0.55 C ATOM 962 CD ARG A 62 13.691 -12.524 -9.801 1.00 0.62 C ATOM 963 NE ARG A 62 12.748 -12.915 -10.845 1.00 1.45 N ATOM 964 CZ ARG A 62 11.980 -14.002 -10.783 1.00 1.97 C ATOM 965 NH1 ARG A 62 12.051 -14.813 -9.734 1.00 1.66 N ATOM 966 NH2 ARG A 62 11.145 -14.277 -11.773 1.00 3.02 N ATOM 0 H ARG A 62 14.921 -9.239 -8.575 1.00 0.47 H new ATOM 0 HA ARG A 62 13.955 -8.454 -11.151 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.543 -10.176 -9.100 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.458 -10.278 -10.847 1.00 0.55 H new ATOM 0 HG2 ARG A 62 14.783 -11.079 -10.949 1.00 0.55 H new ATOM 0 HG3 ARG A 62 14.949 -10.890 -9.214 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.519 -13.233 -9.779 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.198 -12.580 -8.831 1.00 0.62 H new ATOM 0 HE ARG A 62 12.673 -12.321 -11.671 1.00 1.45 H new ATOM 0 HH11 ARG A 62 12.695 -14.605 -8.971 1.00 1.66 H new ATOM 0 HH12 ARG A 62 11.461 -15.644 -9.691 1.00 1.66 H new ATOM 0 HH21 ARG A 62 11.091 -13.657 -12.581 1.00 3.02 H new ATOM 0 HH22 ARG A 62 10.556 -15.109 -11.727 1.00 3.02 H new ATOM 980 N MET A 63 12.444 -7.403 -8.433 1.00 0.45 N ATOM 981 CA MET A 63 11.501 -6.420 -7.910 1.00 0.44 C ATOM 982 C MET A 63 11.865 -5.055 -8.449 1.00 0.41 C ATOM 983 O MET A 63 11.060 -4.401 -9.108 1.00 0.42 O ATOM 984 CB MET A 63 11.539 -6.352 -6.379 1.00 0.43 C ATOM 985 CG MET A 63 11.529 -7.698 -5.665 1.00 0.49 C ATOM 986 SD MET A 63 9.890 -8.453 -5.548 1.00 0.64 S ATOM 987 CE MET A 63 9.705 -9.174 -7.177 1.00 1.54 C ATOM 0 H MET A 63 13.000 -7.870 -7.717 1.00 0.45 H new ATOM 0 HA MET A 63 10.500 -6.720 -8.221 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.434 -5.807 -6.078 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.682 -5.772 -6.037 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.197 -8.382 -6.190 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.931 -7.568 -4.660 1.00 0.49 H new ATOM 0 HE1 MET A 63 9.229 -10.151 -7.091 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.087 -8.523 -7.795 1.00 1.54 H new ATOM 0 HE3 MET A 63 10.686 -9.288 -7.638 1.00 1.54 H new ATOM 997 N MET A 64 13.105 -4.655 -8.170 1.00 0.41 N ATOM 998 CA MET A 64 13.633 -3.369 -8.594 1.00 0.42 C ATOM 999 C MET A 64 13.327 -3.110 -10.055 1.00 0.44 C ATOM 1000 O MET A 64 12.683 -2.136 -10.383 1.00 0.41 O ATOM 1001 CB MET A 64 15.147 -3.318 -8.365 1.00 0.55 C ATOM 1002 CG MET A 64 15.810 -2.049 -8.885 1.00 0.65 C ATOM 1003 SD MET A 64 15.181 -0.553 -8.104 1.00 1.87 S ATOM 1004 CE MET A 64 15.472 -0.922 -6.379 1.00 2.41 C ATOM 0 H MET A 64 13.770 -5.219 -7.641 1.00 0.41 H new ATOM 0 HA MET A 64 13.151 -2.594 -7.998 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.346 -3.408 -7.297 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.606 -4.180 -8.849 1.00 0.55 H new ATOM 0 HG2 MET A 64 16.885 -2.114 -8.719 1.00 0.65 H new ATOM 0 HG3 MET A 64 15.657 -1.981 -9.962 1.00 0.65 H new ATOM 0 HE1 MET A 64 15.809 -0.021 -5.866 1.00 2.41 H new ATOM 0 HE2 MET A 64 14.548 -1.276 -5.922 1.00 2.41 H new ATOM 0 HE3 MET A 64 16.237 -1.694 -6.296 1.00 2.41 H new ATOM 1014 N LYS A 65 13.739 -4.014 -10.922 1.00 0.52 N ATOM 1015 CA LYS A 65 13.621 -3.788 -12.357 1.00 0.56 C ATOM 1016 C LYS A 65 12.167 -3.759 -12.825 1.00 0.54 C ATOM 1017 O LYS A 65 11.862 -3.206 -13.882 1.00 0.60 O ATOM 1018 CB LYS A 65 14.409 -4.843 -13.127 1.00 0.66 C ATOM 1019 CG LYS A 65 15.903 -4.791 -12.849 1.00 0.79 C ATOM 1020 CD LYS A 65 16.496 -3.433 -13.204 1.00 0.86 C ATOM 1021 CE LYS A 65 16.390 -3.137 -14.696 1.00 1.57 C ATOM 1022 NZ LYS A 65 17.126 -4.137 -15.518 1.00 2.49 N ATOM 0 H LYS A 65 14.157 -4.908 -10.664 1.00 0.52 H new ATOM 0 HA LYS A 65 14.042 -2.804 -12.563 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.031 -5.832 -12.867 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.239 -4.707 -14.195 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.085 -5.003 -11.795 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.407 -5.569 -13.422 1.00 0.79 H new ATOM 0 HD2 LYS A 65 15.981 -2.654 -12.642 1.00 0.86 H new ATOM 0 HD3 LYS A 65 17.543 -3.404 -12.902 1.00 0.86 H new ATOM 0 HE2 LYS A 65 15.340 -3.128 -14.990 1.00 1.57 H new ATOM 0 HE3 LYS A 65 16.785 -2.141 -14.897 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 17.217 -3.786 -16.493 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 18.073 -4.288 -15.115 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 16.603 -5.036 -15.521 1.00 2.49 H new ATOM 1036 N LYS A 66 11.275 -4.359 -12.053 1.00 0.50 N ATOM 1037 CA LYS A 66 9.852 -4.307 -12.363 1.00 0.52 C ATOM 1038 C LYS A 66 9.268 -2.969 -11.926 1.00 0.48 C ATOM 1039 O LYS A 66 8.520 -2.322 -12.660 1.00 0.55 O ATOM 1040 CB LYS A 66 9.101 -5.439 -11.656 1.00 0.55 C ATOM 1041 CG LYS A 66 7.603 -5.425 -11.925 1.00 0.91 C ATOM 1042 CD LYS A 66 6.868 -6.512 -11.152 1.00 0.96 C ATOM 1043 CE LYS A 66 6.959 -6.305 -9.647 1.00 0.73 C ATOM 1044 NZ LYS A 66 6.129 -7.289 -8.904 1.00 1.47 N ATOM 0 H LYS A 66 11.508 -4.886 -11.211 1.00 0.50 H new ATOM 0 HA LYS A 66 9.737 -4.423 -13.441 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.512 -6.396 -11.978 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.271 -5.364 -10.582 1.00 0.55 H new ATOM 0 HG2 LYS A 66 7.196 -4.451 -11.654 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.426 -5.558 -12.992 1.00 0.91 H new ATOM 0 HD2 LYS A 66 5.820 -6.525 -11.453 1.00 0.96 H new ATOM 0 HD3 LYS A 66 7.286 -7.485 -11.410 1.00 0.96 H new ATOM 0 HE2 LYS A 66 7.998 -6.393 -9.330 1.00 0.73 H new ATOM 0 HE3 LYS A 66 6.634 -5.294 -9.399 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 6.217 -7.116 -7.882 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 5.134 -7.188 -9.188 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 6.455 -8.252 -9.121 1.00 1.47 H new ATOM 1058 N LEU A 67 9.639 -2.562 -10.726 1.00 0.41 N ATOM 1059 CA LEU A 67 9.060 -1.390 -10.090 1.00 0.39 C ATOM 1060 C LEU A 67 9.731 -0.115 -10.559 1.00 0.40 C ATOM 1061 O LEU A 67 9.087 0.928 -10.621 1.00 0.46 O ATOM 1062 CB LEU A 67 9.227 -1.505 -8.592 1.00 0.34 C ATOM 1063 CG LEU A 67 8.807 -2.846 -7.993 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.334 -2.976 -6.578 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.295 -3.003 -8.019 1.00 0.37 C ATOM 0 H LEU A 67 10.349 -3.033 -10.165 1.00 0.41 H new ATOM 0 HA LEU A 67 8.005 -1.345 -10.360 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.273 -1.326 -8.344 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.647 -0.715 -8.116 1.00 0.34 H new ATOM 0 HG LEU A 67 9.237 -3.643 -8.600 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.028 -3.936 -6.162 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.422 -2.916 -6.588 1.00 0.30 H new ATOM 0 HD13 LEU A 67 8.932 -2.170 -5.964 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.022 -3.966 -7.587 1.00 0.37 H new ATOM 0 HD22 LEU A 67 6.836 -2.202 -7.440 1.00 0.37 H new ATOM 0 HD23 LEU A 67 6.942 -2.954 -9.049 1.00 0.37 H new ATOM 1077 N ASP A 68 11.034 -0.214 -10.842 1.00 0.40 N ATOM 1078 CA ASP A 68 11.838 0.901 -11.351 1.00 0.42 C ATOM 1079 C ASP A 68 11.277 1.362 -12.684 1.00 0.52 C ATOM 1080 O ASP A 68 11.765 1.024 -13.765 1.00 0.56 O ATOM 1081 CB ASP A 68 13.311 0.471 -11.477 1.00 0.43 C ATOM 1082 CG ASP A 68 14.193 1.471 -12.208 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.291 2.637 -11.773 1.00 1.13 O ATOM 1084 OD2 ASP A 68 14.806 1.083 -13.233 1.00 1.23 O ATOM 0 H ASP A 68 11.564 -1.077 -10.723 1.00 0.40 H new ATOM 0 HA ASP A 68 11.794 1.738 -10.654 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.717 0.308 -10.479 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.355 -0.485 -11.999 1.00 0.43 H new ATOM 1089 N THR A 69 10.212 2.105 -12.573 1.00 0.59 N ATOM 1090 CA THR A 69 9.478 2.607 -13.699 1.00 0.74 C ATOM 1091 C THR A 69 10.051 3.948 -14.126 1.00 0.84 C ATOM 1092 O THR A 69 9.816 4.419 -15.237 1.00 0.99 O ATOM 1093 CB THR A 69 7.987 2.732 -13.334 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.178 2.725 -14.520 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.723 4.004 -12.545 1.00 0.83 C ATOM 0 H THR A 69 9.821 2.385 -11.674 1.00 0.59 H new ATOM 0 HA THR A 69 9.568 1.914 -14.535 1.00 0.74 H new ATOM 0 HB THR A 69 7.724 1.875 -12.713 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.233 2.804 -14.272 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.663 4.067 -12.300 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.307 3.989 -11.625 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.009 4.869 -13.143 1.00 0.83 H new ATOM 1103 N ASN A 70 10.818 4.549 -13.228 1.00 0.80 N ATOM 1104 CA ASN A 70 11.547 5.766 -13.536 1.00 0.94 C ATOM 1105 C ASN A 70 12.814 5.407 -14.286 1.00 0.86 C ATOM 1106 O ASN A 70 13.456 6.243 -14.923 1.00 0.97 O ATOM 1107 CB ASN A 70 11.898 6.490 -12.241 1.00 1.01 C ATOM 1108 CG ASN A 70 12.380 7.914 -12.461 1.00 1.25 C ATOM 1109 OD1 ASN A 70 13.575 8.166 -12.625 1.00 1.46 O ATOM 1110 ND2 ASN A 70 11.455 8.857 -12.453 1.00 1.66 N ATOM 0 H ASN A 70 10.951 4.209 -12.275 1.00 0.80 H new ATOM 0 HA ASN A 70 10.932 6.420 -14.154 1.00 0.94 H new ATOM 0 HB2 ASN A 70 11.022 6.506 -11.593 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.672 5.929 -11.717 1.00 1.01 H new ATOM 0 HD21 ASN A 70 11.720 9.833 -12.586 1.00 1.66 H new ATOM 0 HD22 ASN A 70 10.475 8.609 -12.314 1.00 1.66 H new ATOM 1117 N SER A 71 13.127 4.117 -14.205 1.00 0.70 N ATOM 1118 CA SER A 71 14.272 3.519 -14.865 1.00 0.66 C ATOM 1119 C SER A 71 15.562 4.230 -14.485 1.00 0.61 C ATOM 1120 O SER A 71 16.430 4.476 -15.325 1.00 0.65 O ATOM 1121 CB SER A 71 14.070 3.502 -16.380 1.00 0.82 C ATOM 1122 OG SER A 71 12.910 2.755 -16.721 1.00 1.47 O ATOM 0 H SER A 71 12.577 3.448 -13.666 1.00 0.70 H new ATOM 0 HA SER A 71 14.359 2.487 -14.525 1.00 0.66 H new ATOM 0 HB2 SER A 71 13.974 4.522 -16.751 1.00 0.82 H new ATOM 0 HB3 SER A 71 14.945 3.067 -16.864 1.00 0.82 H new ATOM 0 HG SER A 71 12.795 2.756 -17.694 1.00 1.47 H new ATOM 1128 N ASP A 72 15.682 4.533 -13.206 1.00 0.58 N ATOM 1129 CA ASP A 72 16.860 5.202 -12.685 1.00 0.65 C ATOM 1130 C ASP A 72 17.659 4.230 -11.838 1.00 0.56 C ATOM 1131 O ASP A 72 18.846 4.431 -11.582 1.00 0.66 O ATOM 1132 CB ASP A 72 16.451 6.413 -11.843 1.00 0.80 C ATOM 1133 CG ASP A 72 17.625 7.304 -11.488 1.00 0.93 C ATOM 1134 OD1 ASP A 72 17.969 8.183 -12.303 1.00 1.56 O ATOM 1135 OD2 ASP A 72 18.194 7.151 -10.388 1.00 1.53 O ATOM 0 H ASP A 72 14.972 4.325 -12.504 1.00 0.58 H new ATOM 0 HA ASP A 72 17.473 5.547 -13.518 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.710 6.996 -12.389 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.972 6.068 -10.927 1.00 0.80 H new ATOM 1140 N GLY A 73 17.003 3.152 -11.430 1.00 0.45 N ATOM 1141 CA GLY A 73 17.642 2.179 -10.574 1.00 0.46 C ATOM 1142 C GLY A 73 17.266 2.393 -9.132 1.00 0.41 C ATOM 1143 O GLY A 73 17.962 1.946 -8.218 1.00 0.44 O ATOM 0 H GLY A 73 16.038 2.936 -11.679 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.354 1.174 -10.883 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.724 2.248 -10.685 1.00 0.46 H new ATOM 1147 N GLN A 74 16.163 3.097 -8.935 1.00 0.38 N ATOM 1148 CA GLN A 74 15.656 3.384 -7.615 1.00 0.37 C ATOM 1149 C GLN A 74 14.158 3.193 -7.620 1.00 0.36 C ATOM 1150 O GLN A 74 13.544 3.098 -8.679 1.00 0.39 O ATOM 1151 CB GLN A 74 15.951 4.826 -7.201 1.00 0.38 C ATOM 1152 CG GLN A 74 17.346 5.313 -7.531 1.00 0.42 C ATOM 1153 CD GLN A 74 17.636 6.688 -6.960 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.218 7.015 -5.853 1.00 1.03 O ATOM 1155 NE2 GLN A 74 18.307 7.519 -7.734 1.00 1.25 N ATOM 0 H GLN A 74 15.598 3.483 -9.691 1.00 0.38 H new ATOM 0 HA GLN A 74 16.144 2.711 -6.910 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.229 5.483 -7.686 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.795 4.919 -6.126 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.076 4.602 -7.144 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.470 5.340 -8.614 1.00 0.42 H new ATOM 0 HE21 GLN A 74 18.638 7.210 -8.648 1.00 1.25 H new ATOM 0 HE22 GLN A 74 18.495 8.471 -7.419 1.00 1.25 H new ATOM 1164 N LEU A 75 13.577 3.155 -6.444 1.00 0.33 N ATOM 1165 CA LEU A 75 12.142 3.052 -6.323 1.00 0.32 C ATOM 1166 C LEU A 75 11.579 4.247 -5.600 1.00 0.32 C ATOM 1167 O LEU A 75 11.841 4.454 -4.415 1.00 0.32 O ATOM 1168 CB LEU A 75 11.753 1.777 -5.590 1.00 0.31 C ATOM 1169 CG LEU A 75 12.206 0.498 -6.277 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.675 -0.717 -5.542 1.00 0.35 C ATOM 1171 CD2 LEU A 75 11.756 0.499 -7.728 1.00 0.35 C ATOM 0 H LEU A 75 14.077 3.194 -5.556 1.00 0.33 H new ATOM 0 HA LEU A 75 11.724 3.021 -7.329 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.176 1.806 -4.586 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.669 1.752 -5.479 1.00 0.31 H new ATOM 0 HG LEU A 75 13.295 0.452 -6.256 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.009 -1.623 -6.048 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.048 -0.715 -4.518 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.585 -0.688 -5.531 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.085 -0.421 -8.212 1.00 0.35 H new ATOM 0 HD22 LEU A 75 10.669 0.563 -7.772 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.191 1.355 -8.243 1.00 0.35 H new ATOM 1183 N ASP A 76 10.830 5.047 -6.326 1.00 0.35 N ATOM 1184 CA ASP A 76 10.124 6.164 -5.735 1.00 0.36 C ATOM 1185 C ASP A 76 8.912 5.622 -5.002 1.00 0.33 C ATOM 1186 O ASP A 76 8.611 4.439 -5.115 1.00 0.32 O ATOM 1187 CB ASP A 76 9.757 7.197 -6.814 1.00 0.44 C ATOM 1188 CG ASP A 76 8.261 7.408 -7.008 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.677 8.247 -6.287 1.00 1.68 O ATOM 1190 OD2 ASP A 76 7.665 6.760 -7.896 1.00 1.45 O ATOM 0 H ASP A 76 10.693 4.945 -7.332 1.00 0.35 H new ATOM 0 HA ASP A 76 10.754 6.688 -5.017 1.00 0.36 H new ATOM 0 HB2 ASP A 76 10.215 8.152 -6.555 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.192 6.882 -7.763 1.00 0.44 H new ATOM 1195 N PHE A 77 8.235 6.455 -4.237 1.00 0.41 N ATOM 1196 CA PHE A 77 7.167 5.984 -3.376 1.00 0.49 C ATOM 1197 C PHE A 77 6.111 5.211 -4.162 1.00 0.39 C ATOM 1198 O PHE A 77 5.671 4.157 -3.729 1.00 0.39 O ATOM 1199 CB PHE A 77 6.537 7.154 -2.647 1.00 0.72 C ATOM 1200 CG PHE A 77 5.749 6.746 -1.442 1.00 1.76 C ATOM 1201 CD1 PHE A 77 6.296 5.889 -0.501 1.00 2.56 C ATOM 1202 CD2 PHE A 77 4.468 7.218 -1.246 1.00 2.66 C ATOM 1203 CE1 PHE A 77 5.575 5.512 0.611 1.00 3.67 C ATOM 1204 CE2 PHE A 77 3.745 6.845 -0.136 1.00 3.77 C ATOM 1205 CZ PHE A 77 4.297 5.991 0.795 1.00 4.15 C ATOM 0 H PHE A 77 8.404 7.460 -4.193 1.00 0.41 H new ATOM 0 HA PHE A 77 7.598 5.298 -2.647 1.00 0.49 H new ATOM 0 HB2 PHE A 77 7.321 7.848 -2.342 1.00 0.72 H new ATOM 0 HB3 PHE A 77 5.884 7.692 -3.334 1.00 0.72 H new ATOM 0 HD1 PHE A 77 7.299 5.512 -0.641 1.00 2.56 H new ATOM 0 HD2 PHE A 77 4.028 7.887 -1.971 1.00 2.66 H new ATOM 0 HE1 PHE A 77 6.011 4.842 1.337 1.00 3.67 H new ATOM 0 HE2 PHE A 77 2.743 7.222 0.006 1.00 3.77 H new ATOM 0 HZ PHE A 77 3.729 5.699 1.666 1.00 4.15 H new ATOM 1215 N SER A 78 5.729 5.729 -5.321 1.00 0.39 N ATOM 1216 CA SER A 78 4.792 5.039 -6.199 1.00 0.38 C ATOM 1217 C SER A 78 5.339 3.672 -6.601 1.00 0.38 C ATOM 1218 O SER A 78 4.611 2.681 -6.622 1.00 0.44 O ATOM 1219 CB SER A 78 4.526 5.879 -7.451 1.00 0.45 C ATOM 1220 OG SER A 78 3.503 5.313 -8.253 1.00 1.31 O ATOM 0 H SER A 78 6.054 6.628 -5.677 1.00 0.39 H new ATOM 0 HA SER A 78 3.857 4.896 -5.658 1.00 0.38 H new ATOM 0 HB2 SER A 78 4.242 6.890 -7.158 1.00 0.45 H new ATOM 0 HB3 SER A 78 5.442 5.962 -8.035 1.00 0.45 H new ATOM 0 HG SER A 78 3.358 5.875 -9.043 1.00 1.31 H new ATOM 1226 N GLU A 79 6.633 3.621 -6.880 1.00 0.36 N ATOM 1227 CA GLU A 79 7.277 2.393 -7.325 1.00 0.42 C ATOM 1228 C GLU A 79 7.399 1.422 -6.153 1.00 0.33 C ATOM 1229 O GLU A 79 7.277 0.206 -6.307 1.00 0.33 O ATOM 1230 CB GLU A 79 8.646 2.729 -7.921 1.00 0.51 C ATOM 1231 CG GLU A 79 8.556 3.762 -9.037 1.00 0.64 C ATOM 1232 CD GLU A 79 9.905 4.224 -9.554 1.00 1.81 C ATOM 1233 OE1 GLU A 79 10.504 5.118 -8.935 1.00 2.54 O ATOM 1234 OE2 GLU A 79 10.349 3.725 -10.599 1.00 2.57 O ATOM 0 H GLU A 79 7.261 4.421 -6.806 1.00 0.36 H new ATOM 0 HA GLU A 79 6.676 1.911 -8.097 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.300 3.105 -7.134 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.104 1.819 -8.308 1.00 0.51 H new ATOM 0 HG2 GLU A 79 7.985 3.340 -9.864 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.001 4.627 -8.675 1.00 0.64 H new ATOM 1241 N PHE A 80 7.608 1.990 -4.977 1.00 0.28 N ATOM 1242 CA PHE A 80 7.654 1.242 -3.732 1.00 0.25 C ATOM 1243 C PHE A 80 6.264 0.740 -3.353 1.00 0.23 C ATOM 1244 O PHE A 80 6.111 -0.336 -2.787 1.00 0.26 O ATOM 1245 CB PHE A 80 8.216 2.142 -2.629 1.00 0.31 C ATOM 1246 CG PHE A 80 8.101 1.575 -1.247 1.00 0.71 C ATOM 1247 CD1 PHE A 80 8.896 0.517 -0.850 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.198 2.111 -0.344 1.00 1.60 C ATOM 1249 CE1 PHE A 80 8.791 0.001 0.423 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.089 1.599 0.931 1.00 1.98 C ATOM 1251 CZ PHE A 80 7.887 0.542 1.315 1.00 1.64 C ATOM 0 H PHE A 80 7.752 2.993 -4.859 1.00 0.28 H new ATOM 0 HA PHE A 80 8.300 0.373 -3.858 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.267 2.341 -2.840 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.697 3.100 -2.660 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.606 0.091 -1.544 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.572 2.939 -0.642 1.00 1.60 H new ATOM 0 HE1 PHE A 80 9.416 -0.827 0.723 1.00 1.56 H new ATOM 0 HE2 PHE A 80 6.381 2.024 1.627 1.00 1.98 H new ATOM 0 HZ PHE A 80 7.805 0.138 2.313 1.00 1.64 H new ATOM 1261 N LEU A 81 5.252 1.523 -3.666 1.00 0.25 N ATOM 1262 CA LEU A 81 3.885 1.129 -3.383 1.00 0.26 C ATOM 1263 C LEU A 81 3.399 0.114 -4.395 1.00 0.26 C ATOM 1264 O LEU A 81 2.529 -0.703 -4.097 1.00 0.27 O ATOM 1265 CB LEU A 81 2.966 2.338 -3.364 1.00 0.29 C ATOM 1266 CG LEU A 81 3.273 3.354 -2.260 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.269 4.483 -2.294 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.301 2.681 -0.885 1.00 0.29 C ATOM 0 H LEU A 81 5.348 2.434 -4.115 1.00 0.25 H new ATOM 0 HA LEU A 81 3.866 0.668 -2.395 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.028 2.840 -4.329 1.00 0.29 H new ATOM 0 HB3 LEU A 81 1.938 1.995 -3.248 1.00 0.29 H new ATOM 0 HG LEU A 81 4.264 3.771 -2.441 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.499 5.198 -1.504 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.316 4.983 -3.261 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.267 4.083 -2.141 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.521 3.426 -0.120 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.331 2.228 -0.682 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.071 1.910 -0.873 1.00 0.29 H new ATOM 1280 N ASN A 82 3.963 0.164 -5.592 1.00 0.26 N ATOM 1281 CA ASN A 82 3.724 -0.873 -6.574 1.00 0.26 C ATOM 1282 C ASN A 82 4.227 -2.190 -6.020 1.00 0.23 C ATOM 1283 O ASN A 82 3.604 -3.245 -6.178 1.00 0.25 O ATOM 1284 CB ASN A 82 4.441 -0.554 -7.888 1.00 0.30 C ATOM 1285 CG ASN A 82 3.698 0.460 -8.736 1.00 0.79 C ATOM 1286 OD1 ASN A 82 2.472 0.560 -8.676 1.00 1.51 O ATOM 1287 ND2 ASN A 82 4.434 1.216 -9.536 1.00 1.42 N ATOM 0 H ASN A 82 4.586 0.909 -5.902 1.00 0.26 H new ATOM 0 HA ASN A 82 2.655 -0.934 -6.779 1.00 0.26 H new ATOM 0 HB2 ASN A 82 5.439 -0.175 -7.668 1.00 0.30 H new ATOM 0 HB3 ASN A 82 4.568 -1.474 -8.459 1.00 0.30 H new ATOM 0 HD21 ASN A 82 3.988 1.913 -10.132 1.00 1.42 H new ATOM 0 HD22 ASN A 82 5.447 1.102 -9.556 1.00 1.42 H new ATOM 1294 N LEU A 83 5.366 -2.099 -5.354 1.00 0.23 N ATOM 1295 CA LEU A 83 5.935 -3.206 -4.618 1.00 0.24 C ATOM 1296 C LEU A 83 4.972 -3.700 -3.551 1.00 0.23 C ATOM 1297 O LEU A 83 4.684 -4.891 -3.469 1.00 0.25 O ATOM 1298 CB LEU A 83 7.223 -2.755 -3.957 1.00 0.27 C ATOM 1299 CG LEU A 83 7.713 -3.657 -2.840 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.215 -4.981 -3.395 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.779 -2.951 -2.028 1.00 0.36 C ATOM 0 H LEU A 83 5.923 -1.246 -5.311 1.00 0.23 H new ATOM 0 HA LEU A 83 6.131 -4.022 -5.313 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.001 -2.686 -4.718 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.078 -1.751 -3.558 1.00 0.27 H new ATOM 0 HG LEU A 83 6.878 -3.880 -2.176 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.561 -5.611 -2.576 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.405 -5.485 -3.923 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.039 -4.797 -4.085 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.123 -3.608 -1.229 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.619 -2.695 -2.674 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.364 -2.041 -1.595 1.00 0.36 H new ATOM 1313 N ILE A 84 4.490 -2.771 -2.732 1.00 0.24 N ATOM 1314 CA ILE A 84 3.503 -3.083 -1.706 1.00 0.26 C ATOM 1315 C ILE A 84 2.289 -3.764 -2.331 1.00 0.27 C ATOM 1316 O ILE A 84 1.678 -4.638 -1.725 1.00 0.29 O ATOM 1317 CB ILE A 84 3.094 -1.810 -0.912 1.00 0.29 C ATOM 1318 CG1 ILE A 84 3.933 -1.684 0.364 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.607 -1.806 -0.564 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.419 -1.552 0.115 1.00 0.62 C ATOM 0 H ILE A 84 4.769 -1.790 -2.760 1.00 0.24 H new ATOM 0 HA ILE A 84 3.953 -3.775 -0.994 1.00 0.26 H new ATOM 0 HB ILE A 84 3.285 -0.951 -1.556 1.00 0.29 H new ATOM 0 HG12 ILE A 84 3.591 -0.815 0.927 1.00 0.55 H new ATOM 0 HG13 ILE A 84 3.757 -2.559 0.990 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.365 -0.899 -0.010 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.019 -1.839 -1.481 1.00 0.47 H new ATOM 0 HG23 ILE A 84 1.374 -2.678 0.048 1.00 0.47 H new ATOM 0 HD11 ILE A 84 5.942 -1.468 1.068 1.00 0.62 H new ATOM 0 HD12 ILE A 84 5.778 -2.432 -0.419 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.610 -0.661 -0.483 1.00 0.62 H new ATOM 1332 N GLY A 85 1.974 -3.381 -3.563 1.00 0.26 N ATOM 1333 CA GLY A 85 0.928 -4.040 -4.310 1.00 0.29 C ATOM 1334 C GLY A 85 1.197 -5.521 -4.474 1.00 0.29 C ATOM 1335 O GLY A 85 0.311 -6.339 -4.261 1.00 0.33 O ATOM 0 H GLY A 85 2.432 -2.617 -4.059 1.00 0.26 H new ATOM 0 HA2 GLY A 85 -0.026 -3.899 -3.801 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.837 -3.577 -5.292 1.00 0.29 H new ATOM 1339 N GLY A 86 2.434 -5.870 -4.810 1.00 0.28 N ATOM 1340 CA GLY A 86 2.774 -7.265 -5.017 1.00 0.31 C ATOM 1341 C GLY A 86 2.936 -7.997 -3.703 1.00 0.29 C ATOM 1342 O GLY A 86 2.501 -9.141 -3.554 1.00 0.35 O ATOM 0 H GLY A 86 3.204 -5.215 -4.942 1.00 0.28 H new ATOM 0 HA2 GLY A 86 1.996 -7.746 -5.609 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.699 -7.334 -5.590 1.00 0.31 H new ATOM 1346 N LEU A 87 3.554 -7.316 -2.752 1.00 0.25 N ATOM 1347 CA LEU A 87 3.759 -7.839 -1.409 1.00 0.25 C ATOM 1348 C LEU A 87 2.433 -8.177 -0.751 1.00 0.26 C ATOM 1349 O LEU A 87 2.175 -9.323 -0.386 1.00 0.29 O ATOM 1350 CB LEU A 87 4.458 -6.789 -0.558 1.00 0.25 C ATOM 1351 CG LEU A 87 5.934 -6.551 -0.850 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.388 -5.288 -0.150 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.769 -7.734 -0.389 1.00 0.35 C ATOM 0 H LEU A 87 3.931 -6.378 -2.890 1.00 0.25 H new ATOM 0 HA LEU A 87 4.365 -8.742 -1.486 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.929 -5.844 -0.680 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.359 -7.077 0.489 1.00 0.25 H new ATOM 0 HG LEU A 87 6.068 -6.438 -1.926 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.444 -5.116 -0.358 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.805 -4.442 -0.512 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.243 -5.395 0.925 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.820 -7.544 -0.607 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.640 -7.874 0.684 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.447 -8.633 -0.914 1.00 0.35 H new ATOM 1365 N ALA A 88 1.598 -7.157 -0.616 1.00 0.25 N ATOM 1366 CA ALA A 88 0.318 -7.285 0.048 1.00 0.27 C ATOM 1367 C ALA A 88 -0.523 -8.345 -0.605 1.00 0.30 C ATOM 1368 O ALA A 88 -1.162 -9.154 0.062 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.428 -5.973 0.006 1.00 0.27 C ATOM 0 H ALA A 88 1.793 -6.219 -0.965 1.00 0.25 H new ATOM 0 HA ALA A 88 0.509 -7.568 1.083 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.389 -6.084 0.509 1.00 0.27 H new ATOM 0 HB2 ALA A 88 0.159 -5.205 0.510 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.593 -5.681 -1.031 1.00 0.27 H new ATOM 1375 N MET A 89 -0.517 -8.328 -1.921 1.00 0.29 N ATOM 1376 CA MET A 89 -1.304 -9.260 -2.685 1.00 0.33 C ATOM 1377 C MET A 89 -0.860 -10.683 -2.448 1.00 0.34 C ATOM 1378 O MET A 89 -1.682 -11.587 -2.414 1.00 0.39 O ATOM 1379 CB MET A 89 -1.235 -8.929 -4.159 1.00 0.35 C ATOM 1380 CG MET A 89 -2.228 -7.867 -4.557 1.00 0.42 C ATOM 1381 SD MET A 89 -2.603 -7.906 -6.318 1.00 1.03 S ATOM 1382 CE MET A 89 -3.374 -9.517 -6.476 1.00 1.89 C ATOM 0 H MET A 89 0.028 -7.674 -2.482 1.00 0.29 H new ATOM 0 HA MET A 89 -2.338 -9.171 -2.351 1.00 0.33 H new ATOM 0 HB2 MET A 89 -0.228 -8.592 -4.406 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.421 -9.832 -4.740 1.00 0.35 H new ATOM 0 HG2 MET A 89 -3.148 -8.002 -3.989 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.832 -6.886 -4.294 1.00 0.42 H new ATOM 0 HE1 MET A 89 -4.102 -9.494 -7.287 1.00 1.89 H new ATOM 0 HE2 MET A 89 -2.612 -10.265 -6.694 1.00 1.89 H new ATOM 0 HE3 MET A 89 -3.877 -9.773 -5.543 1.00 1.89 H new ATOM 1392 N ALA A 90 0.434 -10.874 -2.257 1.00 0.34 N ATOM 1393 CA ALA A 90 0.970 -12.198 -2.003 1.00 0.40 C ATOM 1394 C ALA A 90 0.345 -12.794 -0.747 1.00 0.42 C ATOM 1395 O ALA A 90 -0.039 -13.958 -0.731 1.00 0.49 O ATOM 1396 CB ALA A 90 2.483 -12.139 -1.878 1.00 0.46 C ATOM 0 H ALA A 90 1.131 -10.130 -2.273 1.00 0.34 H new ATOM 0 HA ALA A 90 0.721 -12.844 -2.845 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.872 -13.139 -1.688 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.910 -11.754 -2.804 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.754 -11.481 -1.052 1.00 0.46 H new ATOM 1402 N CYS A 91 0.203 -11.975 0.287 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.343 -12.436 1.559 1.00 0.47 C ATOM 1404 C CYS A 91 -1.870 -12.414 1.547 1.00 0.45 C ATOM 1405 O CYS A 91 -2.509 -13.285 2.125 1.00 0.51 O ATOM 1406 CB CYS A 91 0.195 -11.580 2.712 1.00 0.55 C ATOM 1407 SG CYS A 91 -0.333 -12.121 4.356 1.00 1.76 S ATOM 0 H CYS A 91 0.458 -10.988 0.271 1.00 0.41 H new ATOM 0 HA CYS A 91 -0.024 -13.468 1.707 1.00 0.47 H new ATOM 0 HB2 CYS A 91 1.284 -11.585 2.674 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.125 -10.549 2.562 1.00 0.55 H new ATOM 0 HG CYS A 91 0.177 -11.334 5.256 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.454 -11.422 0.886 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.909 -11.328 0.774 1.00 0.46 C ATOM 1415 C HIS A 92 -4.454 -12.500 -0.021 1.00 0.45 C ATOM 1416 O HIS A 92 -5.432 -13.130 0.367 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.314 -10.017 0.097 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.776 -9.922 -0.239 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.739 -9.539 0.668 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.430 -10.155 -1.402 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -7.921 -9.544 0.078 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -7.762 -9.910 -1.179 1.00 2.62 N ATOM 0 H HIS A 92 -1.946 -10.671 0.419 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.329 -11.351 1.780 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -4.048 -9.186 0.751 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -3.734 -9.900 -0.818 1.00 0.54 H new ATOM 0 HD2 HIS A 92 -5.985 -10.475 -2.333 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.860 -9.291 0.547 1.00 2.74 H new ATOM 0 HE2 HIS A 92 -8.506 -9.997 -1.871 1.00 2.62 H new ATOM 1431 N ASP A 93 -3.819 -12.768 -1.142 1.00 0.45 N ATOM 1432 CA ASP A 93 -4.216 -13.859 -2.010 1.00 0.52 C ATOM 1433 C ASP A 93 -4.025 -15.174 -1.296 1.00 0.56 C ATOM 1434 O ASP A 93 -4.858 -16.072 -1.375 1.00 0.65 O ATOM 1435 CB ASP A 93 -3.383 -13.821 -3.274 1.00 0.54 C ATOM 1436 CG ASP A 93 -3.814 -14.858 -4.289 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -4.974 -14.797 -4.757 1.00 1.75 O ATOM 1438 OD2 ASP A 93 -3.002 -15.747 -4.612 1.00 1.48 O ATOM 0 H ASP A 93 -3.015 -12.238 -1.478 1.00 0.45 H new ATOM 0 HA ASP A 93 -5.269 -13.755 -2.273 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -3.454 -12.829 -3.721 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -2.336 -13.982 -3.019 1.00 0.54 H new ATOM 1443 N SER A 94 -2.912 -15.262 -0.597 1.00 0.54 N ATOM 1444 CA SER A 94 -2.651 -16.391 0.300 1.00 0.60 C ATOM 1445 C SER A 94 -3.787 -16.554 1.299 1.00 0.63 C ATOM 1446 O SER A 94 -4.315 -17.639 1.468 1.00 0.70 O ATOM 1447 CB SER A 94 -1.347 -16.203 1.067 1.00 0.65 C ATOM 1448 OG SER A 94 -0.222 -16.327 0.211 1.00 1.27 O ATOM 0 H SER A 94 -2.166 -14.567 -0.627 1.00 0.54 H new ATOM 0 HA SER A 94 -2.572 -17.283 -0.321 1.00 0.60 H new ATOM 0 HB2 SER A 94 -1.340 -15.221 1.541 1.00 0.65 H new ATOM 0 HB3 SER A 94 -1.282 -16.942 1.865 1.00 0.65 H new ATOM 0 HG SER A 94 0.189 -15.447 0.082 1.00 1.27 H new ATOM 1454 N PHE A 95 -4.157 -15.455 1.946 1.00 0.60 N ATOM 1455 CA PHE A 95 -5.249 -15.434 2.913 1.00 0.66 C ATOM 1456 C PHE A 95 -6.523 -15.978 2.276 1.00 0.72 C ATOM 1457 O PHE A 95 -7.286 -16.705 2.903 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.464 -13.993 3.399 1.00 0.64 C ATOM 1459 CG PHE A 95 -6.520 -13.832 4.454 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -6.281 -14.230 5.759 1.00 1.30 C ATOM 1461 CD2 PHE A 95 -7.746 -13.266 4.143 1.00 1.80 C ATOM 1462 CE1 PHE A 95 -7.246 -14.066 6.735 1.00 1.76 C ATOM 1463 CE2 PHE A 95 -8.715 -13.102 5.113 1.00 2.35 C ATOM 1464 CZ PHE A 95 -8.465 -13.503 6.410 1.00 2.08 C ATOM 0 H PHE A 95 -3.706 -14.549 1.814 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.996 -16.066 3.764 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -4.520 -13.612 3.789 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -5.729 -13.372 2.543 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -5.330 -14.673 6.017 1.00 1.30 H new ATOM 0 HD2 PHE A 95 -7.946 -12.949 3.130 1.00 1.80 H new ATOM 0 HE1 PHE A 95 -7.047 -14.377 7.750 1.00 1.76 H new ATOM 0 HE2 PHE A 95 -9.667 -12.661 4.857 1.00 2.35 H new ATOM 0 HZ PHE A 95 -9.222 -13.377 7.170 1.00 2.08 H new ATOM 1737 N PRO B 7 6.004 -9.154 11.798 1.00 0.70 N ATOM 1738 CA PRO B 7 6.130 -8.329 10.593 1.00 0.54 C ATOM 1739 C PRO B 7 6.753 -6.977 10.896 1.00 0.45 C ATOM 1740 O PRO B 7 6.817 -6.550 12.051 1.00 0.57 O ATOM 1741 CB PRO B 7 4.679 -8.149 10.160 1.00 0.62 C ATOM 1742 CG PRO B 7 3.942 -8.136 11.444 1.00 0.75 C ATOM 1743 CD PRO B 7 4.609 -9.189 12.284 1.00 0.82 C ATOM 0 HA PRO B 7 6.772 -8.784 9.839 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.537 -7.222 9.605 1.00 0.62 H new ATOM 0 HB3 PRO B 7 4.348 -8.962 9.514 1.00 0.62 H new ATOM 0 HG2 PRO B 7 3.996 -7.157 11.921 1.00 0.75 H new ATOM 0 HG3 PRO B 7 2.886 -8.360 11.295 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.545 -8.960 13.348 1.00 0.82 H new ATOM 0 HD3 PRO B 7 4.155 -10.169 12.141 1.00 0.82 H new ATOM 1751 N THR B 8 7.208 -6.308 9.859 1.00 0.34 N ATOM 1752 CA THR B 8 7.764 -4.980 10.002 1.00 0.27 C ATOM 1753 C THR B 8 6.673 -3.953 9.810 1.00 0.28 C ATOM 1754 O THR B 8 5.509 -4.319 9.632 1.00 0.34 O ATOM 1755 CB THR B 8 8.861 -4.735 8.970 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.268 -4.591 7.679 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.839 -5.891 8.976 1.00 0.33 C ATOM 0 H THR B 8 7.204 -6.664 8.903 1.00 0.34 H new ATOM 0 HA THR B 8 8.193 -4.894 11.000 1.00 0.27 H new ATOM 0 HB THR B 8 9.403 -3.822 9.218 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.959 -4.678 6.990 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.620 -5.711 8.237 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.289 -5.982 9.965 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.313 -6.814 8.730 1.00 0.33 H new ATOM 1765 N GLU B 9 7.045 -2.685 9.814 1.00 0.28 N ATOM 1766 CA GLU B 9 6.077 -1.611 9.665 1.00 0.33 C ATOM 1767 C GLU B 9 5.269 -1.781 8.379 1.00 0.36 C ATOM 1768 O GLU B 9 4.047 -1.768 8.406 1.00 0.52 O ATOM 1769 CB GLU B 9 6.762 -0.249 9.667 1.00 0.40 C ATOM 1770 CG GLU B 9 5.770 0.896 9.685 1.00 0.56 C ATOM 1771 CD GLU B 9 5.022 0.977 10.999 1.00 1.73 C ATOM 1772 OE1 GLU B 9 4.000 0.279 11.157 1.00 2.48 O ATOM 1773 OE2 GLU B 9 5.462 1.732 11.890 1.00 2.47 O ATOM 0 H GLU B 9 8.010 -2.373 9.919 1.00 0.28 H new ATOM 0 HA GLU B 9 5.399 -1.661 10.517 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.414 -0.175 10.537 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.396 -0.163 8.785 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.296 1.834 9.509 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.058 0.772 8.869 1.00 0.56 H new ATOM 1780 N THR B 10 5.956 -1.989 7.266 1.00 0.26 N ATOM 1781 CA THR B 10 5.293 -2.106 5.976 1.00 0.27 C ATOM 1782 C THR B 10 4.518 -3.405 5.884 1.00 0.27 C ATOM 1783 O THR B 10 3.465 -3.450 5.268 1.00 0.31 O ATOM 1784 CB THR B 10 6.293 -1.998 4.794 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.731 -2.565 3.602 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.613 -2.681 5.126 1.00 0.26 C ATOM 0 H THR B 10 6.971 -2.080 7.230 1.00 0.26 H new ATOM 0 HA THR B 10 4.597 -1.270 5.900 1.00 0.27 H new ATOM 0 HB THR B 10 6.489 -0.940 4.622 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.425 -2.633 2.913 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.293 -2.589 4.279 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.057 -2.208 6.002 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.434 -3.736 5.335 1.00 0.26 H new ATOM 1794 N GLU B 11 5.017 -4.446 6.527 1.00 0.24 N ATOM 1795 CA GLU B 11 4.388 -5.754 6.441 1.00 0.27 C ATOM 1796 C GLU B 11 3.087 -5.792 7.214 1.00 0.30 C ATOM 1797 O GLU B 11 2.062 -6.240 6.706 1.00 0.32 O ATOM 1798 CB GLU B 11 5.333 -6.819 6.950 1.00 0.29 C ATOM 1799 CG GLU B 11 6.669 -6.768 6.260 1.00 0.41 C ATOM 1800 CD GLU B 11 7.565 -7.924 6.637 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.609 -8.267 7.835 1.00 1.71 O ATOM 1802 OE2 GLU B 11 8.222 -8.491 5.740 1.00 1.85 O ATOM 0 H GLU B 11 5.852 -4.413 7.112 1.00 0.24 H new ATOM 0 HA GLU B 11 4.159 -5.951 5.394 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.475 -6.694 8.023 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.886 -7.802 6.800 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.516 -6.769 5.181 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.167 -5.831 6.510 1.00 0.41 H new ATOM 1809 N ARG B 12 3.125 -5.302 8.442 1.00 0.35 N ATOM 1810 CA ARG B 12 1.926 -5.232 9.263 1.00 0.42 C ATOM 1811 C ARG B 12 0.928 -4.290 8.617 1.00 0.43 C ATOM 1812 O ARG B 12 -0.279 -4.506 8.666 1.00 0.47 O ATOM 1813 CB ARG B 12 2.259 -4.775 10.694 1.00 0.48 C ATOM 1814 CG ARG B 12 2.963 -3.430 10.794 1.00 0.49 C ATOM 1815 CD ARG B 12 1.978 -2.277 10.734 1.00 0.56 C ATOM 1816 NE ARG B 12 1.091 -2.281 11.891 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.194 -1.438 12.914 1.00 1.34 C ATOM 1818 NH1 ARG B 12 2.086 -0.452 12.891 1.00 1.86 N ATOM 1819 NH2 ARG B 12 0.391 -1.577 13.960 1.00 1.95 N ATOM 0 H ARG B 12 3.969 -4.948 8.892 1.00 0.35 H new ATOM 0 HA ARG B 12 1.488 -6.228 9.332 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.334 -4.727 11.268 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.887 -5.532 11.164 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.524 -3.381 11.727 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.685 -3.335 9.982 1.00 0.49 H new ATOM 0 HD2 ARG B 12 2.521 -1.333 10.692 1.00 0.56 H new ATOM 0 HD3 ARG B 12 1.388 -2.346 9.820 1.00 0.56 H new ATOM 0 HE ARG B 12 0.344 -2.975 11.917 1.00 1.08 H new ATOM 0 HH11 ARG B 12 2.699 -0.337 12.084 1.00 1.86 H new ATOM 0 HH12 ARG B 12 2.157 0.190 13.681 1.00 1.86 H new ATOM 0 HH21 ARG B 12 -0.300 -2.327 13.976 1.00 1.95 H new ATOM 0 HH22 ARG B 12 0.464 -0.934 14.748 1.00 1.95 H new ATOM 1833 N CYS B 13 1.462 -3.258 7.986 1.00 0.42 N ATOM 1834 CA CYS B 13 0.662 -2.247 7.326 1.00 0.44 C ATOM 1835 C CYS B 13 0.034 -2.823 6.075 1.00 0.30 C ATOM 1836 O CYS B 13 -1.109 -2.523 5.733 1.00 0.29 O ATOM 1837 CB CYS B 13 1.555 -1.051 7.014 1.00 0.57 C ATOM 1838 SG CYS B 13 1.797 0.056 8.418 1.00 2.16 S ATOM 0 H CYS B 13 2.467 -3.100 7.918 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.151 -1.916 7.973 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.526 -1.412 6.675 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.119 -0.488 6.189 1.00 0.57 H new ATOM 0 HG CYS B 13 2.956 -0.176 8.959 1.00 2.16 H new ATOM 1844 N ILE B 14 0.790 -3.684 5.426 1.00 0.26 N ATOM 1845 CA ILE B 14 0.317 -4.434 4.287 1.00 0.24 C ATOM 1846 C ILE B 14 -0.892 -5.290 4.659 1.00 0.21 C ATOM 1847 O ILE B 14 -1.885 -5.344 3.930 1.00 0.23 O ATOM 1848 CB ILE B 14 1.458 -5.324 3.755 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.320 -4.556 2.753 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.926 -6.606 3.143 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.617 -5.260 2.436 1.00 0.27 C ATOM 0 H ILE B 14 1.758 -3.883 5.678 1.00 0.26 H new ATOM 0 HA ILE B 14 0.005 -3.736 3.510 1.00 0.24 H new ATOM 0 HB ILE B 14 2.084 -5.603 4.603 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.756 -4.411 1.832 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.538 -3.565 3.152 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.758 -7.208 2.779 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.375 -7.168 3.897 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.262 -6.365 2.313 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.187 -4.668 1.720 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.198 -5.381 3.350 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.404 -6.240 2.009 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.813 -5.928 5.819 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.854 -6.830 6.268 1.00 0.28 C ATOM 1865 C GLU B 15 -3.030 -6.045 6.770 1.00 0.30 C ATOM 1866 O GLU B 15 -4.155 -6.532 6.810 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.338 -7.708 7.387 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.138 -8.545 6.987 1.00 0.32 C ATOM 1869 CD GLU B 15 0.332 -9.452 8.100 1.00 0.38 C ATOM 1870 OE1 GLU B 15 -0.189 -10.584 8.212 1.00 1.25 O ATOM 1871 OE2 GLU B 15 1.220 -9.042 8.875 1.00 1.06 O ATOM 0 H GLU B 15 -0.031 -5.833 6.467 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.158 -7.453 5.426 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.068 -7.081 8.237 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.139 -8.369 7.720 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.394 -9.147 6.115 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.678 -7.886 6.691 1.00 0.32 H new ATOM 1878 N SER B 16 -2.759 -4.826 7.161 1.00 0.31 N ATOM 1879 CA SER B 16 -3.793 -3.964 7.643 1.00 0.37 C ATOM 1880 C SER B 16 -4.624 -3.455 6.475 1.00 0.28 C ATOM 1881 O SER B 16 -5.825 -3.240 6.608 1.00 0.28 O ATOM 1882 CB SER B 16 -3.183 -2.833 8.449 1.00 0.54 C ATOM 1883 OG SER B 16 -2.425 -3.344 9.534 1.00 0.97 O ATOM 0 H SER B 16 -1.827 -4.413 7.153 1.00 0.31 H new ATOM 0 HA SER B 16 -4.461 -4.515 8.305 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.545 -2.225 7.807 1.00 0.54 H new ATOM 0 HB3 SER B 16 -3.971 -2.181 8.825 1.00 0.54 H new ATOM 0 HG SER B 16 -1.503 -3.504 9.242 1.00 0.97 H new ATOM 1889 N LEU B 17 -3.988 -3.297 5.318 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.719 -3.034 4.086 1.00 0.28 C ATOM 1891 C LEU B 17 -5.579 -4.243 3.771 1.00 0.27 C ATOM 1892 O LEU B 17 -6.731 -4.113 3.377 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.767 -2.777 2.923 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.674 -1.753 3.201 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.683 -1.694 2.050 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.279 -0.378 3.458 1.00 0.46 C ATOM 0 H LEU B 17 -2.975 -3.346 5.209 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.334 -2.144 4.223 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.298 -3.720 2.642 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.348 -2.442 2.064 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.137 -2.065 4.097 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -0.912 -0.956 2.271 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.221 -2.672 1.917 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.204 -1.411 1.135 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.482 0.339 3.654 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -3.845 -0.060 2.583 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -3.943 -0.428 4.321 1.00 0.46 H new ATOM 1908 N ILE B 18 -4.991 -5.423 3.961 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.712 -6.680 3.830 1.00 0.30 C ATOM 1910 C ILE B 18 -6.954 -6.671 4.714 1.00 0.28 C ATOM 1911 O ILE B 18 -8.040 -7.040 4.276 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.820 -7.886 4.216 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.639 -8.002 3.251 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.637 -9.171 4.237 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.738 -9.190 3.520 1.00 1.37 C ATOM 0 H ILE B 18 -4.007 -5.531 4.208 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.004 -6.784 2.785 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.426 -7.723 5.219 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.021 -8.072 2.232 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.046 -7.089 3.307 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -4.993 -10.007 4.510 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.441 -9.079 4.967 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.062 -9.348 3.249 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -1.925 -9.202 2.794 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.325 -9.113 4.526 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.315 -10.111 3.434 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.775 -6.223 5.948 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.848 -6.178 6.928 1.00 0.25 C ATOM 1929 C ALA B 19 -8.958 -5.213 6.513 1.00 0.23 C ATOM 1930 O ALA B 19 -10.119 -5.608 6.415 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.285 -5.795 8.286 1.00 0.28 C ATOM 0 H ALA B 19 -5.880 -5.880 6.298 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.293 -7.171 6.988 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.092 -5.762 9.018 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.545 -6.533 8.594 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.814 -4.814 8.221 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.597 -3.954 6.255 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.582 -2.939 5.888 1.00 0.22 C ATOM 1939 C VAL B 20 -10.271 -3.319 4.590 1.00 0.23 C ATOM 1940 O VAL B 20 -11.493 -3.172 4.442 1.00 0.27 O ATOM 1941 CB VAL B 20 -8.949 -1.529 5.755 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -8.038 -1.271 6.916 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.178 -1.352 4.455 1.00 0.87 C ATOM 0 H VAL B 20 -7.635 -3.616 6.294 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.315 -2.897 6.693 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.768 -0.810 5.748 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.596 -0.280 6.818 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.607 -1.324 7.844 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.247 -2.021 6.932 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.757 -0.347 4.416 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.373 -2.085 4.407 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.851 -1.497 3.610 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.485 -3.833 3.660 1.00 0.22 N ATOM 1954 CA PHE B 21 -10.031 -4.276 2.391 1.00 0.25 C ATOM 1955 C PHE B 21 -11.027 -5.406 2.604 1.00 0.29 C ATOM 1956 O PHE B 21 -12.151 -5.348 2.122 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.924 -4.737 1.445 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.447 -5.239 0.132 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.770 -4.356 -0.881 1.00 1.59 C ATOM 1960 CD2 PHE B 21 -9.630 -6.594 -0.082 1.00 1.85 C ATOM 1961 CE1 PHE B 21 -10.265 -4.815 -2.083 1.00 2.17 C ATOM 1962 CE2 PHE B 21 -10.122 -7.059 -1.282 1.00 2.48 C ATOM 1963 CZ PHE B 21 -10.441 -6.168 -2.284 1.00 2.40 C ATOM 0 H PHE B 21 -8.477 -3.953 3.758 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.543 -3.428 1.937 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.239 -3.908 1.264 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.348 -5.527 1.926 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.633 -3.295 -0.729 1.00 1.59 H new ATOM 0 HD2 PHE B 21 -9.384 -7.296 0.701 1.00 1.85 H new ATOM 0 HE1 PHE B 21 -10.515 -4.115 -2.867 1.00 2.17 H new ATOM 0 HE2 PHE B 21 -10.257 -8.119 -1.437 1.00 2.48 H new ATOM 0 HZ PHE B 21 -10.828 -6.529 -3.225 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.616 -6.413 3.358 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.395 -7.630 3.508 1.00 0.37 C ATOM 1975 C GLN B 22 -12.675 -7.379 4.296 1.00 0.36 C ATOM 1976 O GLN B 22 -13.679 -8.050 4.075 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.534 -8.709 4.175 1.00 0.47 C ATOM 1978 CG GLN B 22 -11.079 -10.121 4.039 1.00 1.11 C ATOM 1979 CD GLN B 22 -12.090 -10.479 5.110 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -12.026 -9.984 6.234 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -13.029 -11.346 4.765 1.00 2.65 N ATOM 0 H GLN B 22 -9.739 -6.410 3.879 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.695 -7.978 2.520 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.533 -8.676 3.744 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -10.433 -8.472 5.234 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -11.544 -10.231 3.059 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -10.251 -10.828 4.080 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -13.045 -11.732 3.821 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -13.737 -11.628 5.443 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.662 -6.405 5.193 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.838 -6.141 6.005 1.00 0.39 C ATOM 1992 C LYS B 23 -14.929 -5.447 5.191 1.00 0.41 C ATOM 1993 O LYS B 23 -16.119 -5.702 5.387 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.477 -5.314 7.240 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.986 -3.927 6.941 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.366 -3.322 8.173 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.378 -1.818 8.092 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.690 -1.180 9.245 1.00 0.91 N ATOM 0 H LYS B 23 -11.865 -5.795 5.375 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.229 -7.101 6.340 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.354 -5.244 7.883 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.709 -5.843 7.804 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.254 -3.958 6.134 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.813 -3.306 6.598 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.912 -3.648 9.058 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.341 -3.677 8.282 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.896 -1.503 7.166 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.409 -1.468 8.049 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.785 -0.147 9.177 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -12.121 -1.510 10.132 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.682 -1.437 9.233 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.536 -4.564 4.281 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.512 -3.889 3.439 1.00 0.39 C ATOM 2014 C TYR B 24 -15.846 -4.699 2.192 1.00 0.34 C ATOM 2015 O TYR B 24 -17.009 -4.809 1.811 1.00 0.40 O ATOM 2016 CB TYR B 24 -15.037 -2.493 3.069 1.00 0.46 C ATOM 2017 CG TYR B 24 -15.473 -1.442 4.066 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.726 -0.853 3.963 1.00 1.52 C ATOM 2019 CD2 TYR B 24 -14.646 -1.044 5.108 1.00 1.66 C ATOM 2020 CE1 TYR B 24 -17.142 0.103 4.867 1.00 1.83 C ATOM 2021 CE2 TYR B 24 -15.056 -0.087 6.017 1.00 1.99 C ATOM 2022 CZ TYR B 24 -16.304 0.484 5.891 1.00 1.71 C ATOM 2023 OH TYR B 24 -16.719 1.434 6.793 1.00 2.15 O ATOM 0 H TYR B 24 -13.565 -4.303 4.110 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.430 -3.796 4.019 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.949 -2.491 2.998 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.421 -2.233 2.083 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -17.387 -1.148 3.161 1.00 1.52 H new ATOM 0 HD2 TYR B 24 -13.667 -1.489 5.210 1.00 1.66 H new ATOM 0 HE1 TYR B 24 -18.120 0.550 4.772 1.00 1.83 H new ATOM 0 HE2 TYR B 24 -14.401 0.212 6.822 1.00 1.99 H new ATOM 0 HH TYR B 24 -16.167 2.238 6.698 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.832 -5.274 1.568 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.032 -6.097 0.383 1.00 0.34 C ATOM 2035 C ALA B 25 -15.717 -7.404 0.757 1.00 0.47 C ATOM 2036 O ALA B 25 -16.415 -8.012 -0.051 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.701 -6.377 -0.295 1.00 0.37 C ATOM 0 H ALA B 25 -13.859 -5.187 1.862 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.671 -5.554 -0.313 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.865 -6.993 -1.179 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.238 -5.435 -0.590 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.044 -6.904 0.397 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.521 -7.814 2.005 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.105 -9.053 2.492 1.00 0.64 C ATOM 2045 C GLY B 26 -17.615 -8.985 2.610 1.00 0.76 C ATOM 2046 O GLY B 26 -18.273 -10.001 2.826 1.00 0.96 O ATOM 0 H GLY B 26 -14.964 -7.307 2.693 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.834 -9.866 1.819 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.679 -9.291 3.467 1.00 0.64 H new ATOM 2147 N THR B 33 -13.986 -8.432 -3.698 1.00 0.66 N ATOM 2148 CA THR B 33 -13.737 -7.204 -4.424 1.00 0.45 C ATOM 2149 C THR B 33 -14.616 -6.127 -3.826 1.00 0.37 C ATOM 2150 O THR B 33 -15.758 -6.385 -3.444 1.00 0.44 O ATOM 2151 CB THR B 33 -14.060 -7.406 -5.920 1.00 0.45 C ATOM 2152 OG1 THR B 33 -13.769 -8.763 -6.282 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.241 -6.478 -6.801 1.00 0.43 C ATOM 0 HA THR B 33 -12.690 -6.913 -4.345 1.00 0.45 H new ATOM 0 HB THR B 33 -15.115 -7.179 -6.072 1.00 0.45 H new ATOM 0 HG1 THR B 33 -13.909 -9.346 -5.507 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.496 -6.650 -7.847 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.459 -5.442 -6.540 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.180 -6.675 -6.649 1.00 0.43 H new ATOM 2161 N LEU B 34 -14.080 -4.938 -3.712 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.773 -3.868 -3.038 1.00 0.30 C ATOM 2163 C LEU B 34 -15.684 -3.168 -4.015 1.00 0.31 C ATOM 2164 O LEU B 34 -15.249 -2.357 -4.829 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.728 -2.919 -2.445 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.830 -2.675 -0.943 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.563 -2.020 -0.416 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -15.028 -1.811 -0.633 1.00 0.28 C ATOM 0 H LEU B 34 -13.162 -4.686 -4.079 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.395 -4.249 -2.228 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.737 -3.318 -2.663 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.805 -1.959 -2.956 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.952 -3.639 -0.448 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.658 -1.855 0.657 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.710 -2.670 -0.609 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.412 -1.064 -0.918 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -15.088 -1.645 0.443 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.927 -0.853 -1.143 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.935 -2.310 -0.975 1.00 0.28 H new ATOM 2180 N SER B 35 -16.962 -3.505 -3.918 1.00 0.31 N ATOM 2181 CA SER B 35 -17.965 -2.994 -4.826 1.00 0.33 C ATOM 2182 C SER B 35 -18.096 -1.493 -4.656 1.00 0.32 C ATOM 2183 O SER B 35 -17.689 -0.952 -3.631 1.00 0.30 O ATOM 2184 CB SER B 35 -19.301 -3.695 -4.582 1.00 0.37 C ATOM 2185 OG SER B 35 -20.262 -3.339 -5.561 1.00 0.40 O ATOM 0 H SER B 35 -17.327 -4.139 -3.207 1.00 0.31 H new ATOM 0 HA SER B 35 -17.660 -3.197 -5.853 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.153 -4.775 -4.592 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.675 -3.433 -3.592 1.00 0.37 H new ATOM 0 HG SER B 35 -21.104 -3.805 -5.377 1.00 0.40 H new ATOM 2191 N LYS B 36 -18.664 -0.828 -5.650 1.00 0.38 N ATOM 2192 CA LYS B 36 -18.691 0.622 -5.672 1.00 0.42 C ATOM 2193 C LYS B 36 -19.275 1.184 -4.385 1.00 0.36 C ATOM 2194 O LYS B 36 -18.608 1.938 -3.691 1.00 0.35 O ATOM 2195 CB LYS B 36 -19.464 1.136 -6.882 1.00 0.53 C ATOM 2196 CG LYS B 36 -19.251 2.615 -7.141 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.932 3.057 -8.421 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.600 4.499 -8.752 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.286 4.956 -9.987 1.00 0.65 N ATOM 0 H LYS B 36 -19.112 -1.272 -6.452 1.00 0.38 H new ATOM 0 HA LYS B 36 -17.661 0.968 -5.752 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -19.162 0.572 -7.765 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -20.527 0.949 -6.732 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -19.640 3.192 -6.302 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -18.183 2.825 -7.204 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -19.620 2.412 -9.243 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -21.011 2.944 -8.319 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.889 5.139 -7.918 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.522 4.604 -8.875 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.201 5.989 -10.069 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -19.847 4.505 -10.815 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.291 4.694 -9.943 1.00 0.65 H new ATOM 2213 N THR B 37 -20.492 0.787 -4.043 1.00 0.37 N ATOM 2214 CA THR B 37 -21.133 1.281 -2.829 1.00 0.38 C ATOM 2215 C THR B 37 -20.354 0.878 -1.573 1.00 0.36 C ATOM 2216 O THR B 37 -20.306 1.623 -0.591 1.00 0.38 O ATOM 2217 CB THR B 37 -22.575 0.771 -2.712 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.302 1.088 -3.908 1.00 0.47 O ATOM 2219 CG2 THR B 37 -23.261 1.399 -1.509 1.00 0.49 C ATOM 0 H THR B 37 -21.054 0.129 -4.583 1.00 0.37 H new ATOM 0 HA THR B 37 -21.142 2.368 -2.904 1.00 0.38 H new ATOM 0 HB THR B 37 -22.555 -0.311 -2.579 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.222 0.759 -3.829 1.00 0.47 H new ATOM 0 HG21 THR B 37 -24.283 1.028 -1.438 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.717 1.137 -0.602 1.00 0.49 H new ATOM 0 HG23 THR B 37 -23.275 2.483 -1.623 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.725 -0.288 -1.618 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.933 -0.764 -0.490 1.00 0.33 C ATOM 2229 C GLU B 38 -17.693 0.099 -0.354 1.00 0.33 C ATOM 2230 O GLU B 38 -17.210 0.351 0.747 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.549 -2.239 -0.655 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.652 -3.225 -0.276 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.923 -3.069 -1.089 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -21.729 -2.173 -0.772 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -21.130 -3.854 -2.037 1.00 2.16 O ATOM 0 H GLU B 38 -19.747 -0.920 -2.418 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.534 -0.688 0.416 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -18.263 -2.413 -1.692 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.670 -2.443 -0.044 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.276 -4.241 -0.400 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.890 -3.100 0.780 1.00 0.47 H new ATOM 2242 N PHE B 39 -17.206 0.571 -1.492 1.00 0.29 N ATOM 2243 CA PHE B 39 -16.045 1.435 -1.541 1.00 0.31 C ATOM 2244 C PHE B 39 -16.438 2.846 -1.162 1.00 0.28 C ATOM 2245 O PHE B 39 -15.663 3.576 -0.557 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.448 1.422 -2.944 1.00 0.53 C ATOM 2247 CG PHE B 39 -14.180 2.209 -3.064 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -13.053 1.834 -2.356 1.00 1.78 C ATOM 2249 CD2 PHE B 39 -14.116 3.321 -3.886 1.00 1.76 C ATOM 2250 CE1 PHE B 39 -11.884 2.553 -2.463 1.00 2.66 C ATOM 2251 CE2 PHE B 39 -12.949 4.046 -3.999 1.00 2.61 C ATOM 2252 CZ PHE B 39 -11.831 3.662 -3.287 1.00 2.87 C ATOM 0 H PHE B 39 -17.608 0.363 -2.406 1.00 0.29 H new ATOM 0 HA PHE B 39 -15.300 1.071 -0.834 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -15.254 0.390 -3.238 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -16.181 1.821 -3.645 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -13.090 0.968 -1.712 1.00 1.78 H new ATOM 0 HD2 PHE B 39 -14.989 3.624 -4.445 1.00 1.76 H new ATOM 0 HE1 PHE B 39 -11.010 2.251 -1.905 1.00 2.66 H new ATOM 0 HE2 PHE B 39 -12.910 4.912 -4.643 1.00 2.61 H new ATOM 0 HZ PHE B 39 -10.915 4.228 -3.373 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.647 3.222 -1.532 1.00 0.33 N ATOM 2263 CA LEU B 40 -18.194 4.508 -1.150 1.00 0.37 C ATOM 2264 C LEU B 40 -18.271 4.586 0.366 1.00 0.40 C ATOM 2265 O LEU B 40 -17.837 5.560 0.977 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.583 4.702 -1.761 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.666 4.570 -3.288 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -20.883 5.297 -3.831 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.392 5.064 -3.953 1.00 0.46 C ATOM 0 H LEU B 40 -18.272 2.650 -2.100 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.545 5.300 -1.523 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -20.260 3.974 -1.315 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.948 5.690 -1.480 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.774 3.512 -3.525 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -20.918 5.188 -4.915 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -21.786 4.871 -3.394 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -20.820 6.355 -3.575 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.481 4.958 -5.034 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.234 6.113 -3.703 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.545 4.476 -3.599 1.00 0.46 H new ATOM 2281 N SER B 41 -18.803 3.531 0.961 1.00 0.42 N ATOM 2282 CA SER B 41 -18.860 3.413 2.404 1.00 0.52 C ATOM 2283 C SER B 41 -17.444 3.367 2.973 1.00 0.45 C ATOM 2284 O SER B 41 -17.130 4.075 3.929 1.00 0.47 O ATOM 2285 CB SER B 41 -19.644 2.156 2.797 1.00 0.67 C ATOM 2286 OG SER B 41 -19.849 2.085 4.197 1.00 1.40 O ATOM 0 H SER B 41 -19.204 2.739 0.459 1.00 0.42 H new ATOM 0 HA SER B 41 -19.374 4.281 2.818 1.00 0.52 H new ATOM 0 HB2 SER B 41 -20.607 2.153 2.287 1.00 0.67 H new ATOM 0 HB3 SER B 41 -19.104 1.270 2.463 1.00 0.67 H new ATOM 0 HG SER B 41 -20.353 1.273 4.413 1.00 1.40 H new ATOM 2292 N PHE B 42 -16.593 2.546 2.358 1.00 0.42 N ATOM 2293 CA PHE B 42 -15.191 2.433 2.750 1.00 0.46 C ATOM 2294 C PHE B 42 -14.516 3.786 2.762 1.00 0.29 C ATOM 2295 O PHE B 42 -14.055 4.248 3.784 1.00 0.42 O ATOM 2296 CB PHE B 42 -14.426 1.528 1.783 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.985 1.340 2.174 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -12.007 2.215 1.725 1.00 2.69 C ATOM 2299 CD2 PHE B 42 -12.614 0.302 3.007 1.00 2.77 C ATOM 2300 CE1 PHE B 42 -10.692 2.055 2.103 1.00 3.73 C ATOM 2301 CE2 PHE B 42 -11.300 0.139 3.390 1.00 3.80 C ATOM 2302 CZ PHE B 42 -10.337 1.016 2.938 1.00 4.13 C ATOM 0 H PHE B 42 -16.856 1.944 1.578 1.00 0.42 H new ATOM 0 HA PHE B 42 -15.176 2.006 3.753 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.915 0.555 1.739 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.473 1.954 0.781 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -12.279 3.031 1.072 1.00 2.69 H new ATOM 0 HD2 PHE B 42 -13.363 -0.390 3.362 1.00 2.77 H new ATOM 0 HE1 PHE B 42 -9.940 2.743 1.746 1.00 3.73 H new ATOM 0 HE2 PHE B 42 -11.025 -0.675 4.044 1.00 3.80 H new ATOM 0 HZ PHE B 42 -9.307 0.890 3.237 1.00 4.13 H new ATOM 2312 N MET B 43 -14.460 4.415 1.616 1.00 0.26 N ATOM 2313 CA MET B 43 -13.657 5.605 1.461 1.00 0.29 C ATOM 2314 C MET B 43 -14.233 6.793 2.224 1.00 0.29 C ATOM 2315 O MET B 43 -13.504 7.707 2.577 1.00 0.37 O ATOM 2316 CB MET B 43 -13.504 5.930 -0.009 1.00 0.38 C ATOM 2317 CG MET B 43 -12.241 6.714 -0.327 1.00 0.62 C ATOM 2318 SD MET B 43 -11.814 6.703 -2.076 1.00 1.22 S ATOM 2319 CE MET B 43 -10.355 7.739 -2.065 1.00 2.25 C ATOM 0 H MET B 43 -14.960 4.125 0.776 1.00 0.26 H new ATOM 0 HA MET B 43 -12.675 5.405 1.890 1.00 0.29 H new ATOM 0 HB2 MET B 43 -13.500 5.002 -0.580 1.00 0.38 H new ATOM 0 HB3 MET B 43 -14.371 6.503 -0.339 1.00 0.38 H new ATOM 0 HG2 MET B 43 -12.370 7.745 0.001 1.00 0.62 H new ATOM 0 HG3 MET B 43 -11.411 6.299 0.245 1.00 0.62 H new ATOM 0 HE1 MET B 43 -9.736 7.505 -2.931 1.00 2.25 H new ATOM 0 HE2 MET B 43 -10.653 8.787 -2.104 1.00 2.25 H new ATOM 0 HE3 MET B 43 -9.787 7.557 -1.153 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.531 6.792 2.494 1.00 0.29 N ATOM 2330 CA ASN B 44 -16.106 7.853 3.319 1.00 0.33 C ATOM 2331 C ASN B 44 -15.848 7.594 4.796 1.00 0.32 C ATOM 2332 O ASN B 44 -16.043 8.480 5.624 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.609 8.013 3.109 1.00 0.42 C ATOM 2334 CG ASN B 44 -17.972 8.848 1.894 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.990 10.077 1.954 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.302 8.192 0.800 1.00 1.83 N ATOM 0 H ASN B 44 -16.194 6.090 2.165 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.615 8.774 3.006 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -18.059 7.026 3.008 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -18.044 8.472 3.997 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.585 8.704 -0.036 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.275 7.172 0.789 1.00 1.83 H new ATOM 2343 N THR B 45 -15.440 6.378 5.136 1.00 0.27 N ATOM 2344 CA THR B 45 -15.132 6.056 6.530 1.00 0.29 C ATOM 2345 C THR B 45 -13.636 5.956 6.770 1.00 0.28 C ATOM 2346 O THR B 45 -13.053 6.743 7.518 1.00 0.34 O ATOM 2347 CB THR B 45 -15.785 4.734 6.974 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.568 3.717 5.991 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.273 4.912 7.203 1.00 0.34 C ATOM 0 H THR B 45 -15.315 5.607 4.480 1.00 0.27 H new ATOM 0 HA THR B 45 -15.541 6.877 7.120 1.00 0.29 H new ATOM 0 HB THR B 45 -15.322 4.432 7.914 1.00 0.30 H new ATOM 0 HG1 THR B 45 -16.140 3.886 5.213 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.709 3.963 7.516 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.435 5.659 7.980 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.747 5.242 6.278 1.00 0.34 H new ATOM 2357 N GLU B 46 -13.022 5.001 6.101 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.629 4.683 6.303 1.00 0.25 C ATOM 2359 C GLU B 46 -10.734 5.666 5.566 1.00 0.25 C ATOM 2360 O GLU B 46 -9.533 5.701 5.788 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.343 3.256 5.837 1.00 0.29 C ATOM 2362 CG GLU B 46 -12.252 2.215 6.470 1.00 0.57 C ATOM 2363 CD GLU B 46 -12.129 2.165 7.981 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -12.813 2.955 8.664 1.00 1.68 O ATOM 2365 OE2 GLU B 46 -11.359 1.324 8.490 1.00 1.70 O ATOM 0 H GLU B 46 -13.481 4.422 5.398 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.412 4.759 7.368 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.450 3.208 4.753 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -10.307 3.009 6.066 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -13.286 2.431 6.202 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -12.014 1.234 6.058 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.310 6.452 4.673 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.536 7.456 3.958 1.00 0.26 C ATOM 2374 C LEU B 47 -11.259 8.784 3.930 1.00 0.28 C ATOM 2375 O LEU B 47 -11.092 9.575 3.003 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.247 6.984 2.545 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.373 5.740 2.461 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.304 5.235 1.034 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.983 6.043 2.999 1.00 0.28 C ATOM 0 H LEU B 47 -12.299 6.417 4.426 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.593 7.597 4.486 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.193 6.783 2.042 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.761 7.792 1.998 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.816 4.955 3.074 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.675 4.346 0.993 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.307 4.987 0.687 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.880 6.009 0.394 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.365 5.147 2.935 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.530 6.840 2.409 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.057 6.359 4.039 1.00 0.28 H new ATOM 2391 N ALA B 48 -12.070 9.015 4.945 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.798 10.264 5.078 1.00 0.37 C ATOM 2393 C ALA B 48 -11.843 11.452 5.139 1.00 0.39 C ATOM 2394 O ALA B 48 -12.197 12.563 4.743 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.681 10.211 6.307 1.00 0.41 C ATOM 0 H ALA B 48 -12.243 8.347 5.696 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.428 10.399 4.199 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -14.226 11.150 6.404 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.390 9.388 6.211 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -13.064 10.057 7.192 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.629 11.199 5.617 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.575 12.205 5.633 1.00 0.41 C ATOM 2403 C ALA B 49 -9.337 12.742 4.233 1.00 0.41 C ATOM 2404 O ALA B 49 -9.147 13.943 4.032 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.294 11.604 6.182 1.00 0.44 C ATOM 0 H ALA B 49 -10.350 10.297 6.002 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.887 13.029 6.275 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.511 12.362 6.191 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.465 11.248 7.198 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.984 10.770 5.552 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.359 11.839 3.271 1.00 0.36 N ATOM 2412 CA PHE B 50 -9.186 12.195 1.879 1.00 0.37 C ATOM 2413 C PHE B 50 -10.521 12.614 1.280 1.00 0.38 C ATOM 2414 O PHE B 50 -10.662 13.716 0.759 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.620 11.005 1.105 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.251 11.322 -0.319 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.997 11.826 -0.627 1.00 1.33 C ATOM 2418 CD2 PHE B 50 -9.156 11.113 -1.349 1.00 1.63 C ATOM 2419 CE1 PHE B 50 -6.653 12.115 -1.934 1.00 1.67 C ATOM 2420 CE2 PHE B 50 -8.818 11.401 -2.656 1.00 2.10 C ATOM 2421 CZ PHE B 50 -7.565 11.902 -2.949 1.00 1.80 C ATOM 0 H PHE B 50 -9.497 10.842 3.434 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.488 13.030 1.810 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.737 10.633 1.625 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.354 10.200 1.109 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.281 11.995 0.163 1.00 1.33 H new ATOM 0 HD2 PHE B 50 -10.137 10.720 -1.126 1.00 1.63 H new ATOM 0 HE1 PHE B 50 -5.673 12.507 -2.161 1.00 1.67 H new ATOM 0 HE2 PHE B 50 -9.533 11.235 -3.448 1.00 2.10 H new ATOM 0 HZ PHE B 50 -7.298 12.127 -3.971 1.00 1.80 H new ATOM 2431 N THR B 51 -11.499 11.728 1.405 1.00 0.36 N ATOM 2432 CA THR B 51 -12.800 11.879 0.772 1.00 0.40 C ATOM 2433 C THR B 51 -13.509 13.171 1.160 1.00 0.45 C ATOM 2434 O THR B 51 -13.848 13.985 0.300 1.00 0.53 O ATOM 2435 CB THR B 51 -13.694 10.691 1.148 1.00 0.39 C ATOM 2436 OG1 THR B 51 -13.104 9.483 0.671 1.00 0.39 O ATOM 2437 CG2 THR B 51 -15.096 10.852 0.580 1.00 0.49 C ATOM 0 H THR B 51 -11.409 10.874 1.956 1.00 0.36 H new ATOM 0 HA THR B 51 -12.623 11.914 -0.303 1.00 0.40 H new ATOM 0 HB THR B 51 -13.779 10.653 2.234 1.00 0.39 H new ATOM 0 HG1 THR B 51 -13.060 8.830 1.400 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.705 9.994 0.864 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.546 11.763 0.975 1.00 0.49 H new ATOM 0 HG23 THR B 51 -15.043 10.915 -0.507 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.713 13.365 2.455 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.519 14.479 2.936 1.00 0.60 C ATOM 2447 C LYS B 52 -13.810 15.799 2.678 1.00 0.69 C ATOM 2448 O LYS B 52 -14.424 16.865 2.694 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.797 14.339 4.432 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.425 13.009 4.832 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.712 12.723 4.075 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.434 11.511 4.646 1.00 1.24 C ATOM 2453 NZ LYS B 52 -17.937 11.753 6.026 1.00 1.82 N ATOM 0 H LYS B 52 -13.333 12.768 3.190 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.465 14.466 2.395 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.861 14.464 4.977 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -15.458 15.148 4.744 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -14.713 12.205 4.649 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.630 13.015 5.902 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -17.366 13.594 4.123 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -16.486 12.552 3.022 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -18.270 11.250 3.997 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.757 10.657 4.653 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -18.640 11.027 6.271 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -17.144 11.708 6.697 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -18.378 12.693 6.075 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.024 12.577 -5.032 1.00 0.67 N ATOM 2547 CA GLY B 58 -17.964 12.185 -6.425 1.00 0.56 C ATOM 2548 C GLY B 58 -16.558 11.807 -6.829 1.00 0.49 C ATOM 2549 O GLY B 58 -16.334 11.231 -7.888 1.00 0.48 O ATOM 0 HA2 GLY B 58 -18.633 11.342 -6.597 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.317 13.005 -7.051 1.00 0.56 H new ATOM 2553 N VAL B 59 -15.606 12.140 -5.971 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.224 11.772 -6.185 1.00 0.52 C ATOM 2555 C VAL B 59 -14.049 10.268 -6.141 1.00 0.49 C ATOM 2556 O VAL B 59 -13.296 9.712 -6.931 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.291 12.420 -5.145 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -13.723 12.069 -3.731 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -11.851 11.991 -5.381 1.00 0.66 C ATOM 0 H VAL B 59 -15.772 12.669 -5.115 1.00 0.52 H new ATOM 0 HA VAL B 59 -13.952 12.141 -7.174 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.357 13.502 -5.261 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.047 12.539 -3.017 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -14.738 12.428 -3.561 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -13.694 10.987 -3.600 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.206 12.458 -4.637 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -11.776 10.907 -5.297 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.538 12.300 -6.378 1.00 0.66 H new ATOM 2569 N LEU B 60 -14.765 9.612 -5.237 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.656 8.164 -5.087 1.00 0.46 C ATOM 2571 C LEU B 60 -15.082 7.497 -6.375 1.00 0.43 C ATOM 2572 O LEU B 60 -14.668 6.387 -6.699 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.532 7.647 -3.951 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.577 8.526 -2.706 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.392 7.856 -1.615 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.176 8.828 -2.220 1.00 0.52 C ATOM 0 H LEU B 60 -15.425 10.056 -4.598 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.618 7.928 -4.853 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.548 7.525 -4.326 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.177 6.657 -3.663 1.00 0.48 H new ATOM 0 HG LEU B 60 -16.059 9.469 -2.963 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.415 8.496 -0.733 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.409 7.691 -1.970 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -15.938 6.899 -1.357 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -14.227 9.456 -1.331 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.666 7.896 -1.977 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.624 9.350 -3.002 1.00 0.52 H new ATOM 2588 N ASP B 61 -15.910 8.217 -7.103 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.406 7.766 -8.390 1.00 0.46 C ATOM 2590 C ASP B 61 -15.278 7.796 -9.404 1.00 0.47 C ATOM 2591 O ASP B 61 -15.116 6.885 -10.217 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.559 8.660 -8.848 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.235 8.156 -10.107 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -17.775 8.497 -11.217 1.00 1.19 O ATOM 2595 OD2 ASP B 61 -19.243 7.426 -9.995 1.00 1.22 O ATOM 0 H ASP B 61 -16.259 9.133 -6.820 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.776 6.745 -8.300 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.297 8.730 -8.049 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.183 9.668 -9.023 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.479 8.844 -9.309 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.324 9.027 -10.171 1.00 0.51 C ATOM 2602 C ARG B 62 -12.235 8.029 -9.789 1.00 0.50 C ATOM 2603 O ARG B 62 -11.507 7.526 -10.646 1.00 0.56 O ATOM 2604 CB ARG B 62 -12.802 10.457 -10.027 1.00 0.55 C ATOM 2605 CG ARG B 62 -13.907 11.501 -10.017 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.362 12.896 -9.778 1.00 0.62 C ATOM 2607 NE ARG B 62 -12.405 13.307 -10.803 1.00 1.45 N ATOM 2608 CZ ARG B 62 -11.639 14.392 -10.708 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -11.731 15.185 -9.646 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -10.786 14.687 -11.680 1.00 3.02 N ATOM 0 H ARG B 62 -14.613 9.594 -8.631 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.612 8.855 -11.208 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.228 10.536 -9.104 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.117 10.671 -10.847 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.439 11.477 -10.968 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -14.632 11.256 -9.240 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.189 13.606 -9.752 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -12.880 12.932 -8.801 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.319 12.730 -11.639 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -12.390 14.964 -8.900 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -11.142 16.015 -9.577 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -10.717 14.083 -12.499 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -10.199 15.518 -11.608 1.00 3.02 H new ATOM 2624 N MET B 63 -12.139 7.754 -8.489 1.00 0.45 N ATOM 2625 CA MET B 63 -11.205 6.760 -7.972 1.00 0.44 C ATOM 2626 C MET B 63 -11.562 5.406 -8.541 1.00 0.41 C ATOM 2627 O MET B 63 -10.748 4.763 -9.199 1.00 0.42 O ATOM 2628 CB MET B 63 -11.266 6.664 -6.443 1.00 0.43 C ATOM 2629 CG MET B 63 -11.266 7.997 -5.703 1.00 0.49 C ATOM 2630 SD MET B 63 -9.627 8.745 -5.550 1.00 0.63 S ATOM 2631 CE MET B 63 -9.415 9.498 -7.163 1.00 1.54 C ATOM 0 H MET B 63 -12.702 8.211 -7.771 1.00 0.45 H new ATOM 0 HA MET B 63 -10.200 7.064 -8.264 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.166 6.114 -6.166 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.415 6.077 -6.099 1.00 0.43 H new ATOM 0 HG2 MET B 63 -11.925 8.691 -6.224 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.682 7.849 -4.707 1.00 0.49 H new ATOM 0 HE1 MET B 63 -8.938 10.471 -7.050 1.00 1.54 H new ATOM 0 HE2 MET B 63 -8.790 8.857 -7.784 1.00 1.54 H new ATOM 0 HE3 MET B 63 -10.389 9.624 -7.636 1.00 1.54 H new ATOM 2641 N MET B 64 -12.806 5.004 -8.289 1.00 0.41 N ATOM 2642 CA MET B 64 -13.329 3.726 -8.743 1.00 0.42 C ATOM 2643 C MET B 64 -13.002 3.492 -10.205 1.00 0.44 C ATOM 2644 O MET B 64 -12.351 2.523 -10.539 1.00 0.41 O ATOM 2645 CB MET B 64 -14.846 3.671 -8.539 1.00 0.55 C ATOM 2646 CG MET B 64 -15.502 2.411 -9.090 1.00 0.65 C ATOM 2647 SD MET B 64 -14.884 0.901 -8.330 1.00 1.87 S ATOM 2648 CE MET B 64 -15.199 1.238 -6.604 1.00 2.41 C ATOM 0 H MET B 64 -13.479 5.561 -7.762 1.00 0.41 H new ATOM 0 HA MET B 64 -12.856 2.941 -8.152 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.061 3.744 -7.473 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.298 4.541 -9.015 1.00 0.55 H new ATOM 0 HG2 MET B 64 -16.579 2.473 -8.936 1.00 0.65 H new ATOM 0 HG3 MET B 64 -15.336 2.363 -10.166 1.00 0.65 H new ATOM 0 HE1 MET B 64 -15.492 0.316 -6.101 1.00 2.41 H new ATOM 0 HE2 MET B 64 -14.296 1.634 -6.140 1.00 2.41 H new ATOM 0 HE3 MET B 64 -16.002 1.970 -6.517 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.403 4.411 -11.062 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.261 4.211 -12.500 1.00 0.56 C ATOM 2660 C LYS B 65 -11.798 4.188 -12.943 1.00 0.54 C ATOM 2661 O LYS B 65 -11.476 3.646 -14.000 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.036 5.281 -13.260 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.533 5.226 -13.006 1.00 0.79 C ATOM 2664 CD LYS B 65 -16.121 3.872 -13.391 1.00 0.86 C ATOM 2665 CE LYS B 65 -16.001 3.610 -14.887 1.00 1.57 C ATOM 2666 NZ LYS B 65 -16.724 4.630 -15.693 1.00 2.49 N ATOM 0 H LYS B 65 -13.827 5.299 -10.795 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.678 3.232 -12.735 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -13.661 6.264 -12.975 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.850 5.166 -14.328 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -15.731 5.422 -11.952 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.028 6.013 -13.575 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.608 3.083 -12.841 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -17.170 3.834 -13.098 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -14.948 3.604 -15.170 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -16.398 2.621 -15.114 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -16.821 4.294 -16.672 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -17.668 4.788 -15.287 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -16.189 5.522 -15.684 1.00 2.49 H new ATOM 2680 N LYS B 66 -10.920 4.779 -12.148 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.493 4.733 -12.437 1.00 0.52 C ATOM 2682 C LYS B 66 -8.915 3.388 -12.014 1.00 0.48 C ATOM 2683 O LYS B 66 -8.160 2.755 -12.752 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.753 5.852 -11.697 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.251 5.845 -11.946 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.526 6.914 -11.140 1.00 0.96 C ATOM 2687 CE LYS B 66 -6.639 6.674 -9.641 1.00 0.73 C ATOM 2688 NZ LYS B 66 -5.818 7.639 -8.865 1.00 1.47 N ATOM 0 H LYS B 66 -11.167 5.293 -11.302 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.362 4.868 -13.511 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.161 6.814 -12.005 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -8.938 5.755 -10.627 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -6.847 4.865 -11.691 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -7.060 6.002 -13.008 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -5.474 6.932 -11.426 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -6.939 7.893 -11.382 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -7.682 6.757 -9.337 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.320 5.657 -9.410 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -5.921 7.444 -7.849 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -4.819 7.542 -9.137 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -6.139 8.608 -9.066 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.304 2.958 -10.829 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.736 1.773 -10.208 1.00 0.39 C ATOM 2704 C LEU B 67 -9.402 0.508 -10.712 1.00 0.40 C ATOM 2705 O LEU B 67 -8.760 -0.535 -10.783 1.00 0.46 O ATOM 2706 CB LEU B 67 -8.924 1.858 -8.710 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.512 3.188 -8.081 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.060 3.291 -6.674 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.000 3.343 -8.082 1.00 0.37 C ATOM 0 H LEU B 67 -10.022 3.418 -10.269 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.677 1.732 -10.464 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -9.973 1.674 -8.480 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.350 1.059 -8.241 1.00 0.34 H new ATOM 0 HG LEU B 67 -8.931 3.997 -8.679 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.760 4.243 -6.236 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.148 3.231 -6.702 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -8.667 2.473 -6.070 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.732 4.298 -7.629 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.551 2.531 -7.510 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.632 3.312 -9.107 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.700 0.615 -11.015 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.493 -0.490 -11.557 1.00 0.42 C ATOM 2723 C ASP B 68 -10.912 -0.919 -12.892 1.00 0.52 C ATOM 2724 O ASP B 68 -11.371 -0.537 -13.972 1.00 0.57 O ATOM 2725 CB ASP B 68 -12.966 -0.066 -11.691 1.00 0.43 C ATOM 2726 CG ASP B 68 -13.834 -1.062 -12.443 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -13.938 -2.232 -12.018 1.00 1.13 O ATOM 2728 OD2 ASP B 68 -14.425 -0.671 -13.475 1.00 1.23 O ATOM 0 H ASP B 68 -11.232 1.476 -10.890 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.455 -1.342 -10.878 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.382 0.082 -10.694 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.011 0.896 -12.201 1.00 0.43 H new ATOM 2733 N THR B 69 -9.855 -1.673 -12.779 1.00 0.58 N ATOM 2734 CA THR B 69 -9.103 -2.155 -13.905 1.00 0.74 C ATOM 2735 C THR B 69 -9.670 -3.488 -14.363 1.00 0.83 C ATOM 2736 O THR B 69 -9.412 -3.946 -15.477 1.00 0.99 O ATOM 2737 CB THR B 69 -7.618 -2.287 -13.515 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.785 -2.264 -14.684 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.371 -3.574 -12.744 1.00 0.82 C ATOM 0 H THR B 69 -9.483 -1.977 -11.879 1.00 0.58 H new ATOM 0 HA THR B 69 -9.179 -1.449 -14.732 1.00 0.74 H new ATOM 0 HB THR B 69 -7.367 -1.439 -12.877 1.00 0.79 H new ATOM 0 HG1 THR B 69 -5.846 -2.347 -14.418 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.316 -3.643 -12.480 1.00 0.82 H new ATOM 0 HG22 THR B 69 -7.973 -3.575 -11.835 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.647 -4.428 -13.363 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.454 -4.102 -13.489 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.179 -5.313 -13.829 1.00 0.94 C ATOM 2749 C ASN B 70 -12.435 -4.938 -14.590 1.00 0.86 C ATOM 2750 O ASN B 70 -13.069 -5.762 -15.255 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.545 -6.064 -12.555 1.00 1.00 C ATOM 2752 CG ASN B 70 -12.017 -7.484 -12.814 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -13.207 -7.732 -13.021 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -11.090 -8.429 -12.803 1.00 1.66 N ATOM 0 H ASN B 70 -10.603 -3.777 -12.534 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.556 -5.957 -14.450 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.678 -6.091 -11.895 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.329 -5.517 -12.031 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -11.351 -9.401 -12.969 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -10.115 -8.185 -12.628 1.00 1.66 H new ATOM 2761 N SER B 71 -12.748 -3.651 -14.488 1.00 0.70 N ATOM 2762 CA SER B 71 -13.881 -3.039 -15.155 1.00 0.66 C ATOM 2763 C SER B 71 -15.177 -3.753 -14.806 1.00 0.61 C ATOM 2764 O SER B 71 -16.036 -3.980 -15.659 1.00 0.66 O ATOM 2765 CB SER B 71 -13.651 -2.995 -16.666 1.00 0.82 C ATOM 2766 OG SER B 71 -12.477 -2.256 -16.965 1.00 1.48 O ATOM 0 H SER B 71 -12.207 -2.994 -13.926 1.00 0.70 H new ATOM 0 HA SER B 71 -13.975 -2.013 -14.800 1.00 0.66 H new ATOM 0 HB2 SER B 71 -13.560 -4.009 -17.056 1.00 0.82 H new ATOM 0 HB3 SER B 71 -14.510 -2.540 -17.158 1.00 0.82 H new ATOM 0 HG SER B 71 -12.341 -2.237 -17.935 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.314 -4.083 -13.533 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.498 -4.761 -13.042 1.00 0.65 C ATOM 2774 C ASP B 72 -17.311 -3.803 -12.191 1.00 0.56 C ATOM 2775 O ASP B 72 -18.505 -4.000 -11.967 1.00 0.66 O ATOM 2776 CB ASP B 72 -16.109 -5.989 -12.217 1.00 0.80 C ATOM 2777 CG ASP B 72 -17.298 -6.873 -11.893 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -17.639 -7.739 -12.726 1.00 1.56 O ATOM 2779 OD2 ASP B 72 -17.893 -6.718 -10.810 1.00 1.53 O ATOM 0 H ASP B 72 -14.613 -3.890 -12.817 1.00 0.58 H new ATOM 0 HA ASP B 72 -17.095 -5.091 -13.892 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -15.367 -6.570 -12.765 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.638 -5.665 -11.289 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.661 -2.734 -11.753 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.313 -1.775 -10.891 1.00 0.46 C ATOM 2786 C GLY B 73 -16.960 -2.020 -9.447 1.00 0.41 C ATOM 2787 O GLY B 73 -17.676 -1.600 -8.535 1.00 0.44 O ATOM 0 H GLY B 73 -15.691 -2.515 -11.981 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.017 -0.765 -11.175 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.393 -1.839 -11.021 1.00 0.46 H new ATOM 2791 N GLN B 74 -15.858 -2.725 -9.247 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.371 -3.041 -7.925 1.00 0.37 C ATOM 2793 C GLN B 74 -13.871 -2.852 -7.905 1.00 0.36 C ATOM 2794 O GLN B 74 -13.240 -2.735 -8.952 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.672 -4.491 -7.544 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.064 -4.972 -7.902 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.363 -6.355 -7.360 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -16.957 -6.703 -6.256 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -18.021 -7.174 -8.160 1.00 1.25 N ATOM 0 H GLN B 74 -15.279 -3.092 -10.002 1.00 0.38 H new ATOM 0 HA GLN B 74 -15.870 -2.383 -7.214 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -14.944 -5.138 -8.033 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.530 -4.606 -6.469 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.799 -4.267 -7.513 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.173 -4.980 -8.986 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -18.343 -6.848 -9.071 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -18.207 -8.133 -7.867 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.308 -2.837 -6.719 1.00 0.33 N ATOM 2809 CA LEU B 75 -11.875 -2.738 -6.575 1.00 0.31 C ATOM 2810 C LEU B 75 -11.324 -3.947 -5.868 1.00 0.32 C ATOM 2811 O LEU B 75 -11.603 -4.175 -4.692 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.496 -1.478 -5.811 1.00 0.31 C ATOM 2813 CG LEU B 75 -11.939 -0.185 -6.479 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.419 1.016 -5.712 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.467 -0.160 -7.922 1.00 0.35 C ATOM 0 H LEU B 75 -13.821 -2.892 -5.839 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.443 -2.688 -7.574 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -11.933 -1.526 -4.814 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.414 -1.456 -5.684 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.028 -0.137 -6.473 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -11.746 1.932 -6.205 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -11.807 0.993 -4.694 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.330 0.987 -5.686 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -11.788 0.769 -8.394 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.379 -0.224 -7.950 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -11.895 -1.006 -8.459 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.565 -4.732 -6.598 1.00 0.35 N ATOM 2828 CA ASP B 76 -9.866 -5.860 -6.018 1.00 0.36 C ATOM 2829 C ASP B 76 -8.664 -5.333 -5.256 1.00 0.33 C ATOM 2830 O ASP B 76 -8.365 -4.147 -5.338 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.483 -6.873 -7.111 1.00 0.44 C ATOM 2832 CG ASP B 76 -7.984 -7.075 -7.290 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.411 -7.949 -6.601 1.00 1.68 O ATOM 2834 OD2 ASP B 76 -7.376 -6.388 -8.136 1.00 1.44 O ATOM 0 H ASP B 76 -10.414 -4.611 -7.599 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.507 -6.397 -5.319 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -9.940 -7.834 -6.874 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -9.908 -6.543 -8.059 1.00 0.44 H new ATOM 2839 N PHE B 77 -7.998 -6.180 -4.501 1.00 0.40 N ATOM 2840 CA PHE B 77 -6.943 -5.730 -3.613 1.00 0.49 C ATOM 2841 C PHE B 77 -5.877 -4.943 -4.365 1.00 0.39 C ATOM 2842 O PHE B 77 -5.439 -3.898 -3.905 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.326 -6.916 -2.896 1.00 0.72 C ATOM 2844 CG PHE B 77 -5.557 -6.533 -1.672 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.117 -5.694 -0.723 1.00 2.56 C ATOM 2846 CD2 PHE B 77 -4.279 -7.008 -1.465 1.00 2.66 C ATOM 2847 CE1 PHE B 77 -5.415 -5.339 0.408 1.00 3.67 C ATOM 2848 CE2 PHE B 77 -3.573 -6.658 -0.336 1.00 3.77 C ATOM 2849 CZ PHE B 77 -4.140 -5.823 0.602 1.00 4.14 C ATOM 0 H PHE B 77 -8.167 -7.186 -4.483 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.385 -5.060 -2.876 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -7.115 -7.614 -2.617 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.663 -7.442 -3.583 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -7.117 -5.313 -0.871 1.00 2.56 H new ATOM 0 HD2 PHE B 77 -3.827 -7.662 -2.196 1.00 2.66 H new ATOM 0 HE1 PHE B 77 -5.863 -4.683 1.140 1.00 3.67 H new ATOM 0 HE2 PHE B 77 -2.573 -7.038 -0.185 1.00 3.77 H new ATOM 0 HZ PHE B 77 -3.586 -5.549 1.487 1.00 4.14 H new ATOM 2859 N SER B 78 -5.479 -5.437 -5.528 1.00 0.38 N ATOM 2860 CA SER B 78 -4.528 -4.732 -6.378 1.00 0.38 C ATOM 2861 C SER B 78 -5.067 -3.357 -6.762 1.00 0.38 C ATOM 2862 O SER B 78 -4.336 -2.370 -6.759 1.00 0.44 O ATOM 2863 CB SER B 78 -4.249 -5.547 -7.639 1.00 0.44 C ATOM 2864 OG SER B 78 -3.222 -4.962 -8.425 1.00 1.32 O ATOM 0 H SER B 78 -5.801 -6.328 -5.907 1.00 0.38 H new ATOM 0 HA SER B 78 -3.600 -4.601 -5.821 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.962 -6.561 -7.361 1.00 0.44 H new ATOM 0 HB3 SER B 78 -5.161 -5.625 -8.231 1.00 0.44 H new ATOM 0 HG SER B 78 -3.068 -5.510 -9.223 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.357 -3.301 -7.058 1.00 0.36 N ATOM 2871 CA GLU B 79 -6.995 -2.065 -7.489 1.00 0.42 C ATOM 2872 C GLU B 79 -7.137 -1.116 -6.302 1.00 0.33 C ATOM 2873 O GLU B 79 -7.014 0.102 -6.434 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.354 -2.387 -8.115 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.247 -3.398 -9.247 1.00 0.64 C ATOM 2876 CD GLU B 79 -9.588 -3.849 -9.797 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.193 -4.765 -9.214 1.00 2.54 O ATOM 2878 OE2 GLU B 79 -10.016 -3.323 -10.834 1.00 2.57 O ATOM 0 H GLU B 79 -6.986 -4.102 -7.007 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.381 -1.570 -8.241 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.022 -2.776 -7.346 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.803 -1.469 -8.493 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.661 -2.962 -10.056 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -7.699 -4.271 -8.891 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.361 -1.705 -5.141 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.426 -0.980 -3.883 1.00 0.25 C ATOM 2887 C PHE B 80 -6.042 -0.487 -3.473 1.00 0.23 C ATOM 2888 O PHE B 80 -5.895 0.576 -2.879 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.002 -1.901 -2.807 1.00 0.31 C ATOM 2890 CG PHE B 80 -7.908 -1.361 -1.414 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -8.709 -0.312 -1.007 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -7.018 -1.914 -0.507 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -8.623 0.180 0.277 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -6.928 -1.427 0.778 1.00 1.98 C ATOM 2895 CZ PHE B 80 -7.730 -0.378 1.171 1.00 1.64 C ATOM 0 H PHE B 80 -7.504 -2.710 -5.043 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.070 -0.109 -4.003 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.049 -2.098 -3.037 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.481 -2.858 -2.848 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.410 0.127 -1.702 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.388 -2.736 -0.811 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -9.253 1.001 0.584 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.231 -1.866 1.476 1.00 1.98 H new ATOM 0 HZ PHE B 80 -7.661 0.008 2.177 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.025 -1.266 -3.788 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.662 -0.879 -3.477 1.00 0.26 C ATOM 2907 C LEU B 81 -3.160 0.156 -4.462 1.00 0.26 C ATOM 2908 O LEU B 81 -2.292 0.963 -4.135 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.746 -2.088 -3.467 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.068 -3.125 -2.385 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.064 -4.253 -2.427 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.115 -2.475 -0.998 1.00 0.29 C ATOM 0 H LEU B 81 -5.116 -2.167 -4.257 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.657 -0.437 -2.481 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -2.795 -2.573 -4.442 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.719 -1.748 -3.332 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.056 -3.539 -2.586 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.304 -4.983 -1.654 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.099 -4.735 -3.404 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.064 -3.856 -2.254 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.345 -3.232 -0.249 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.148 -2.025 -0.774 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.886 -1.704 -0.983 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.705 0.132 -5.669 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.450 1.188 -6.628 1.00 0.26 C ATOM 2926 C ASN B 82 -3.964 2.496 -6.058 1.00 0.23 C ATOM 2927 O ASN B 82 -3.348 3.557 -6.198 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.144 0.891 -7.959 1.00 0.30 C ATOM 2929 CG ASN B 82 -3.390 -0.111 -8.814 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -2.166 -0.217 -8.743 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -4.121 -0.851 -9.637 1.00 1.42 N ATOM 0 H ASN B 82 -4.324 -0.606 -6.004 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.378 1.255 -6.814 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -5.146 0.510 -7.762 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -4.260 1.820 -8.517 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -3.670 -1.538 -10.241 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -5.134 -0.733 -9.666 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.111 2.389 -5.408 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.690 3.482 -4.658 1.00 0.24 C ATOM 2940 C LEU B 83 -4.743 3.953 -3.570 1.00 0.23 C ATOM 2941 O LEU B 83 -4.457 5.143 -3.459 1.00 0.25 O ATOM 2942 CB LEU B 83 -6.988 3.018 -4.026 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.493 3.899 -2.898 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -7.986 5.234 -3.436 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.572 3.181 -2.116 1.00 0.36 C ATOM 0 H LEU B 83 -5.667 1.534 -5.388 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.876 4.313 -5.339 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.755 2.965 -4.799 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -6.850 2.006 -3.645 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.667 4.107 -2.218 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.343 5.849 -2.610 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.168 5.746 -3.943 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.800 5.064 -4.141 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.926 3.824 -1.310 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.403 2.940 -2.779 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.165 2.261 -1.695 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.276 3.009 -2.760 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.303 3.299 -1.714 1.00 0.26 C ATOM 2959 C ILE B 84 -2.079 3.991 -2.309 1.00 0.27 C ATOM 2960 O ILE B 84 -1.478 4.852 -1.675 1.00 0.29 O ATOM 2961 CB ILE B 84 -2.906 2.010 -0.941 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -3.764 1.862 0.320 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.424 2.000 -0.569 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.246 1.738 0.047 1.00 0.62 C ATOM 0 H ILE B 84 -4.558 2.030 -2.809 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.762 3.977 -0.995 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.086 1.164 -1.604 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -3.432 0.982 0.871 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -3.595 2.724 0.965 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.190 1.082 -0.030 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -0.821 2.053 -1.475 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.202 2.859 0.065 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.783 1.637 0.990 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -5.595 2.628 -0.476 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.430 0.859 -0.571 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.746 3.632 -3.543 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.689 4.306 -4.262 1.00 0.29 C ATOM 2978 C GLY B 85 -0.955 5.790 -4.401 1.00 0.28 C ATOM 2979 O GLY B 85 -0.070 6.605 -4.164 1.00 0.32 O ATOM 0 H GLY B 85 -2.197 2.877 -4.061 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.257 4.154 -3.742 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.584 3.862 -5.252 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.186 6.146 -4.750 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.523 7.546 -4.934 1.00 0.30 C ATOM 2985 C GLY B 86 -2.703 8.252 -3.607 1.00 0.29 C ATOM 2986 O GLY B 86 -2.265 9.391 -3.429 1.00 0.34 O ATOM 0 H GLY B 86 -2.954 5.494 -4.908 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.736 8.039 -5.506 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.440 7.627 -5.518 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.336 7.553 -2.678 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.561 8.051 -1.329 1.00 0.25 C ATOM 2992 C LEU B 87 -2.245 8.377 -0.646 1.00 0.26 C ATOM 2993 O LEU B 87 -1.991 9.518 -0.258 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.272 6.983 -0.508 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.742 6.752 -0.826 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.207 5.476 -0.157 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.583 7.928 -0.358 1.00 0.35 C ATOM 0 H LEU B 87 -3.711 6.618 -2.839 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.166 8.955 -1.397 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.741 6.040 -0.641 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.188 7.250 0.546 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.861 6.659 -1.905 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.260 5.309 -0.384 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.619 4.636 -0.527 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.078 5.563 0.922 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.631 7.743 -0.595 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.470 8.050 0.719 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.252 8.836 -0.862 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.415 7.354 -0.516 1.00 0.25 N ATOM 3010 CA ALA B 88 -0.143 7.468 0.170 1.00 0.27 C ATOM 3011 C ALA B 88 0.709 8.538 -0.451 1.00 0.29 C ATOM 3012 O ALA B 88 1.341 9.330 0.242 1.00 0.35 O ATOM 3013 CB ALA B 88 0.602 6.155 0.114 1.00 0.26 C ATOM 0 H ALA B 88 -1.607 6.422 -0.884 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.348 7.732 1.207 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.555 6.255 0.633 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.007 5.378 0.595 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.782 5.883 -0.926 1.00 0.26 H new ATOM 3019 N MET B 89 0.723 8.547 -1.766 1.00 0.29 N ATOM 3020 CA MET B 89 1.523 9.492 -2.501 1.00 0.32 C ATOM 3021 C MET B 89 1.075 10.911 -2.246 1.00 0.34 C ATOM 3022 O MET B 89 1.896 11.815 -2.185 1.00 0.39 O ATOM 3023 CB MET B 89 1.476 9.188 -3.982 1.00 0.34 C ATOM 3024 CG MET B 89 2.472 8.130 -4.382 1.00 0.42 C ATOM 3025 SD MET B 89 2.869 8.206 -6.137 1.00 1.03 S ATOM 3026 CE MET B 89 3.642 9.820 -6.255 1.00 1.89 C ATOM 0 H MET B 89 0.185 7.905 -2.348 1.00 0.29 H new ATOM 0 HA MET B 89 2.551 9.396 -2.152 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.472 8.859 -4.251 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.674 10.101 -4.544 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.384 8.252 -3.798 1.00 0.42 H new ATOM 0 HG3 MET B 89 2.070 7.145 -4.144 1.00 0.42 H new ATOM 0 HE1 MET B 89 4.575 9.737 -6.813 1.00 1.89 H new ATOM 0 HE2 MET B 89 2.971 10.508 -6.770 1.00 1.89 H new ATOM 0 HE3 MET B 89 3.850 10.198 -5.254 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.220 11.098 -2.069 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.761 12.416 -1.799 1.00 0.39 C ATOM 3038 C ALA B 90 -0.153 12.988 -0.524 1.00 0.42 C ATOM 3039 O ALA B 90 0.230 14.151 -0.483 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.276 12.356 -1.695 1.00 0.46 C ATOM 0 H ALA B 90 -0.916 10.353 -2.107 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.502 13.076 -2.627 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.667 13.353 -1.492 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.691 11.988 -2.633 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.559 11.684 -0.885 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.028 12.150 0.497 1.00 0.41 N ATOM 3047 CA CYS B 91 0.499 12.587 1.784 1.00 0.47 C ATOM 3048 C CYS B 91 2.026 12.564 1.796 1.00 0.44 C ATOM 3049 O CYS B 91 2.654 13.423 2.405 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.057 11.714 2.913 1.00 0.55 C ATOM 3051 SG CYS B 91 0.447 12.235 4.568 1.00 1.76 S ATOM 0 H CYS B 91 -0.284 11.163 0.459 1.00 0.41 H new ATOM 0 HA CYS B 91 0.179 13.616 1.944 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -1.146 11.719 2.858 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.266 10.685 2.754 1.00 0.55 H new ATOM 0 HG CYS B 91 -0.075 11.437 5.452 1.00 1.76 H new ATOM 3057 N HIS B 92 2.620 11.584 1.127 1.00 0.41 N ATOM 3058 CA HIS B 92 4.076 11.492 1.033 1.00 0.46 C ATOM 3059 C HIS B 92 4.635 12.676 0.268 1.00 0.45 C ATOM 3060 O HIS B 92 5.608 13.296 0.680 1.00 0.49 O ATOM 3061 CB HIS B 92 4.490 10.192 0.338 1.00 0.54 C ATOM 3062 CG HIS B 92 5.956 10.102 0.019 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.909 9.701 0.931 1.00 2.12 N ATOM 3064 CD2 HIS B 92 6.626 10.360 -1.130 1.00 1.96 C ATOM 3065 CE1 HIS B 92 8.098 9.717 0.353 1.00 2.74 C ATOM 3066 NE2 HIS B 92 7.954 10.111 -0.899 1.00 2.62 N ATOM 0 H HIS B 92 2.118 10.841 0.641 1.00 0.41 H new ATOM 0 HA HIS B 92 4.480 11.498 2.045 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.216 9.350 0.974 1.00 0.54 H new ATOM 0 HB3 HIS B 92 3.922 10.091 -0.587 1.00 0.54 H new ATOM 0 HD2 HIS B 92 6.193 10.700 -2.059 1.00 1.96 H new ATOM 0 HE1 HIS B 92 9.032 9.452 0.826 1.00 2.74 H new ATOM 0 HE2 HIS B 92 8.706 10.213 -1.581 1.00 2.62 H new ATOM 3075 N ASP B 93 4.018 12.965 -0.857 1.00 0.45 N ATOM 3076 CA ASP B 93 4.426 14.072 -1.696 1.00 0.52 C ATOM 3077 C ASP B 93 4.224 15.374 -0.960 1.00 0.56 C ATOM 3078 O ASP B 93 5.060 16.272 -1.007 1.00 0.65 O ATOM 3079 CB ASP B 93 3.607 14.056 -2.969 1.00 0.54 C ATOM 3080 CG ASP B 93 4.041 15.113 -3.957 1.00 0.92 C ATOM 3081 OD1 ASP B 93 5.214 15.086 -4.389 1.00 1.74 O ATOM 3082 OD2 ASP B 93 3.215 15.982 -4.298 1.00 1.48 O ATOM 0 H ASP B 93 3.220 12.440 -1.216 1.00 0.45 H new ATOM 0 HA ASP B 93 5.483 13.975 -1.946 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.688 13.074 -3.435 1.00 0.54 H new ATOM 0 HB3 ASP B 93 2.556 14.206 -2.722 1.00 0.54 H new ATOM 3087 N SER B 94 3.098 15.451 -0.278 1.00 0.54 N ATOM 3088 CA SER B 94 2.826 16.563 0.637 1.00 0.60 C ATOM 3089 C SER B 94 3.948 16.705 1.656 1.00 0.63 C ATOM 3090 O SER B 94 4.474 17.787 1.851 1.00 0.70 O ATOM 3091 CB SER B 94 1.509 16.363 1.381 1.00 0.65 C ATOM 3092 OG SER B 94 0.394 16.504 0.513 1.00 1.26 O ATOM 0 H SER B 94 2.350 14.760 -0.334 1.00 0.54 H new ATOM 0 HA SER B 94 2.758 17.467 0.032 1.00 0.60 H new ATOM 0 HB2 SER B 94 1.494 15.373 1.836 1.00 0.65 H new ATOM 0 HB3 SER B 94 1.434 17.088 2.192 1.00 0.65 H new ATOM 0 HG SER B 94 0.064 15.617 0.257 1.00 1.26 H new ATOM 3098 N PHE B 95 4.309 15.594 2.287 1.00 0.60 N ATOM 3099 CA PHE B 95 5.388 15.553 3.268 1.00 0.67 C ATOM 3100 C PHE B 95 6.672 16.106 2.662 1.00 0.73 C ATOM 3101 O PHE B 95 7.430 16.817 3.315 1.00 0.84 O ATOM 3102 CB PHE B 95 5.593 14.103 3.729 1.00 0.64 C ATOM 3103 CG PHE B 95 6.632 13.921 4.797 1.00 0.78 C ATOM 3104 CD1 PHE B 95 6.372 14.288 6.106 1.00 1.29 C ATOM 3105 CD2 PHE B 95 7.863 13.362 4.493 1.00 1.80 C ATOM 3106 CE1 PHE B 95 7.322 14.105 7.092 1.00 1.76 C ATOM 3107 CE2 PHE B 95 8.816 13.178 5.475 1.00 2.35 C ATOM 3108 CZ PHE B 95 8.545 13.549 6.776 1.00 2.07 C ATOM 0 H PHE B 95 3.860 14.692 2.132 1.00 0.60 H new ATOM 0 HA PHE B 95 5.124 16.170 4.127 1.00 0.67 H new ATOM 0 HB2 PHE B 95 4.643 13.716 4.097 1.00 0.64 H new ATOM 0 HB3 PHE B 95 5.870 13.498 2.866 1.00 0.64 H new ATOM 0 HD1 PHE B 95 5.416 14.722 6.359 1.00 1.29 H new ATOM 0 HD2 PHE B 95 8.079 13.067 3.477 1.00 1.80 H new ATOM 0 HE1 PHE B 95 7.108 14.397 8.110 1.00 1.76 H new ATOM 0 HE2 PHE B 95 9.773 12.744 5.225 1.00 2.35 H new ATOM 0 HZ PHE B 95 9.289 13.405 7.546 1.00 2.07 H new