USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=52 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: A 22 GLN : amide:sc= -0.0444 K(o=-1.2,f=-7) USER MOD Set 1.2: B 92 HIS : no HE2:sc= -1.13! C(o=-1.2!,f=-7!) USER MOD Set 2.1: B 35 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 74 GLN : amide:sc= -2.08! C(o=-2.1!,f=-4.4!) USER MOD Set 3.1: B 64 MET CE :methyl -102:sc= -0.837 (180deg=-2.42) USER MOD Set 3.2: B 65 LYS NZ :NH3+ 169:sc= 1.26 (180deg=1.15) USER MOD Set 4.1: B 24 TYR OH : rot -112:sc= 1.3 USER MOD Set 4.2: B 45 THR OG1 : rot -77:sc= 2.04 USER MOD Set 5.1: A 92 HIS : no HE2:sc= -1.1! C(o=-1.1!,f=-6.8!) USER MOD Set 5.2: B 22 GLN : amide:sc= -0.0194 K(o=-1.1,f=-6.6!) USER MOD Set 6.1: A 64 MET CE :methyl -101:sc= -0.811 (180deg=-2.41) USER MOD Set 6.2: A 65 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.22) USER MOD Set 7.1: A 24 TYR OH : rot -115:sc= 1.29 USER MOD Set 7.2: A 45 THR OG1 : rot -97:sc= 2 USER MOD Set 8.1: A 33 THR OG1 : rot 6:sc= 0.88 USER MOD Set 8.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 8.3: A 74 GLN : amide:sc= -2.01! C(o=-1.1!,f=-3.3!) USER MOD Set 9.1: A 13 CYS SG : rot -107:sc= -3.28! USER MOD Set 9.2: B 13 CYS SG : rot 76:sc= -3! USER MOD Single : A 8 THR OG1 : rot -143:sc= -0.604! USER MOD Single : A 10 THR OG1 : rot -170:sc= 0 USER MOD Single : A 16 SER OG : rot 54:sc= 1.8 USER MOD Single : A 23 LYS NZ :NH3+ -172:sc= 2.53 (180deg=2.36) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.21) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 77:sc= 0.0723 USER MOD Single : A 43 MET CE :methyl -175:sc= -7.12! (180deg=-7.36!) USER MOD Single : A 44 ASN :FLIP amide:sc= 1.16 F(o=-0.55,f=1.2) USER MOD Single : A 51 THR OG1 : rot 133:sc= 0.741 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -162:sc= -0.109 (180deg=-0.5) 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 :FLIP amide:sc= 0.625 F(o=-0.079,f=0.62) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 21:sc= 0.761 USER MOD Single : A 82 ASN : amide:sc= 1 K(o=1,f=-0.47) USER MOD Single : A 89 MET CE :methyl -174:sc= -0.37 (180deg=-0.42) USER MOD Single : A 91 CYS SG : rot 3:sc= -5.95! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -140:sc= -0.584! USER MOD Single : B 10 THR OG1 : rot -170:sc= 0 USER MOD Single : B 16 SER OG : rot 66:sc= 1.89 USER MOD Single : B 23 LYS NZ :NH3+ -174:sc= 2.52 (180deg=2.46) USER MOD Single : B 33 THR OG1 : rot -7:sc= 0.83 USER MOD Single : B 36 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.14) USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 78:sc= 0.063 USER MOD Single : B 43 MET CE :methyl -176:sc= -7.26! (180deg=-7.49!) USER MOD Single : B 44 ASN :FLIP amide:sc= 1.18 F(o=-0.54,f=1.2) USER MOD Single : B 51 THR OG1 : rot 133:sc= 0.698 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 MET CE :methyl -162:sc= -0.0629 (180deg=-0.455) 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 :FLIP amide:sc= 0.516 F(o=-0.084,f=0.52) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 78 SER OG : rot 20:sc= 0.759 USER MOD Single : B 82 ASN : amide:sc= 1.02 K(o=1,f=-0.42) USER MOD Single : B 89 MET CE :methyl -177:sc= -0.314 (180deg=-0.39) USER MOD Single : B 91 CYS SG : rot 8:sc= -5.94! USER MOD Single : B 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -6.131 8.693 12.461 1.00 0.69 N ATOM 94 CA PRO A 7 -5.866 7.940 11.240 1.00 0.54 C ATOM 95 C PRO A 7 -6.700 6.672 11.173 1.00 0.44 C ATOM 96 O PRO A 7 -7.358 6.291 12.143 1.00 0.56 O ATOM 97 CB PRO A 7 -4.390 7.589 11.377 1.00 0.61 C ATOM 98 CG PRO A 7 -4.225 7.401 12.839 1.00 0.75 C ATOM 99 CD PRO A 7 -5.077 8.471 13.472 1.00 0.82 C ATOM 0 HA PRO A 7 -6.110 8.501 10.338 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.137 6.685 10.823 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -3.749 8.385 10.998 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.548 6.407 13.147 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -3.181 7.503 13.134 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -5.493 8.145 14.425 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -4.507 9.379 13.667 1.00 0.82 H new ATOM 107 N THR A 8 -6.659 6.021 10.036 1.00 0.34 N ATOM 108 CA THR A 8 -7.419 4.811 9.821 1.00 0.27 C ATOM 109 C THR A 8 -6.497 3.667 9.478 1.00 0.28 C ATOM 110 O THR A 8 -5.304 3.877 9.322 1.00 0.35 O ATOM 111 CB THR A 8 -8.406 4.985 8.679 1.00 0.28 C ATOM 112 OG1 THR A 8 -7.677 5.255 7.479 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.380 6.115 8.972 1.00 0.32 C ATOM 0 H THR A 8 -6.100 6.313 9.235 1.00 0.34 H new ATOM 0 HA THR A 8 -7.960 4.596 10.742 1.00 0.27 H new ATOM 0 HB THR A 8 -8.987 4.070 8.561 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.175 5.898 6.931 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.076 6.220 8.140 1.00 0.32 H new ATOM 0 HG22 THR A 8 -9.934 5.890 9.883 1.00 0.32 H new ATOM 0 HG23 THR A 8 -8.828 7.046 9.103 1.00 0.32 H new ATOM 121 N GLU A 9 -7.055 2.485 9.310 1.00 0.28 N ATOM 122 CA GLU A 9 -6.276 1.283 9.074 1.00 0.33 C ATOM 123 C GLU A 9 -5.414 1.411 7.820 1.00 0.36 C ATOM 124 O GLU A 9 -4.219 1.104 7.834 1.00 0.52 O ATOM 125 CB GLU A 9 -7.225 0.105 8.950 1.00 0.40 C ATOM 126 CG GLU A 9 -6.545 -1.237 8.891 1.00 0.56 C ATOM 127 CD GLU A 9 -7.456 -2.326 9.408 1.00 1.73 C ATOM 128 OE1 GLU A 9 -8.587 -2.465 8.888 1.00 2.48 O ATOM 129 OE2 GLU A 9 -7.075 -3.010 10.380 1.00 2.47 O ATOM 0 H GLU A 9 -8.063 2.329 9.333 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.598 1.129 9.914 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.910 0.115 9.798 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.828 0.233 8.051 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.255 -1.457 7.864 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -5.630 -1.212 9.482 1.00 0.56 H new ATOM 136 N THR A 10 -6.010 1.895 6.747 1.00 0.26 N ATOM 137 CA THR A 10 -5.290 2.063 5.499 1.00 0.27 C ATOM 138 C THR A 10 -4.413 3.297 5.559 1.00 0.27 C ATOM 139 O THR A 10 -3.306 3.299 5.043 1.00 0.31 O ATOM 140 CB THR A 10 -6.243 2.149 4.284 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.586 2.760 3.165 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.501 2.924 4.644 1.00 0.25 C ATOM 0 H THR A 10 -6.989 2.178 6.714 1.00 0.26 H new ATOM 0 HA THR A 10 -4.665 1.180 5.365 1.00 0.27 H new ATOM 0 HB THR A 10 -6.528 1.135 4.005 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.243 2.949 2.463 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.159 2.974 3.776 1.00 0.25 H new ATOM 0 HG22 THR A 10 -8.017 2.421 5.462 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.230 3.934 4.952 1.00 0.25 H new ATOM 150 N GLU A 11 -4.893 4.330 6.220 1.00 0.25 N ATOM 151 CA GLU A 11 -4.158 5.574 6.297 1.00 0.27 C ATOM 152 C GLU A 11 -2.912 5.446 7.160 1.00 0.30 C ATOM 153 O GLU A 11 -1.856 5.979 6.825 1.00 0.32 O ATOM 154 CB GLU A 11 -5.077 6.664 6.790 1.00 0.29 C ATOM 155 CG GLU A 11 -5.796 7.364 5.664 1.00 0.41 C ATOM 156 CD GLU A 11 -5.078 8.618 5.227 1.00 1.11 C ATOM 157 OE1 GLU A 11 -4.030 8.512 4.562 1.00 1.85 O ATOM 158 OE2 GLU A 11 -5.550 9.721 5.574 1.00 1.71 O ATOM 0 H GLU A 11 -5.787 4.332 6.711 1.00 0.25 H new ATOM 0 HA GLU A 11 -3.805 5.836 5.300 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.809 6.236 7.474 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.499 7.394 7.357 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -5.889 6.685 4.816 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -6.807 7.617 5.982 1.00 0.41 H new ATOM 165 N ARG A 12 -3.026 4.709 8.249 1.00 0.35 N ATOM 166 CA ARG A 12 -1.877 4.438 9.104 1.00 0.42 C ATOM 167 C ARG A 12 -0.906 3.527 8.367 1.00 0.43 C ATOM 168 O ARG A 12 0.309 3.637 8.516 1.00 0.47 O ATOM 169 CB ARG A 12 -2.314 3.819 10.444 1.00 0.48 C ATOM 170 CG ARG A 12 -3.084 2.513 10.314 1.00 0.49 C ATOM 171 CD ARG A 12 -2.167 1.309 10.266 1.00 0.56 C ATOM 172 NE ARG A 12 -1.669 0.982 11.602 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.815 -0.206 12.190 1.00 1.35 C ATOM 174 NH1 ARG A 12 -2.263 -1.251 11.506 1.00 1.86 N ATOM 175 NH2 ARG A 12 -1.488 -0.357 13.466 1.00 1.95 N ATOM 0 H ARG A 12 -3.899 4.286 8.565 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.376 5.378 9.335 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.429 3.645 11.055 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.933 4.540 10.978 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.769 2.412 11.156 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.692 2.540 9.410 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -2.703 0.454 9.853 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -1.328 1.511 9.600 1.00 0.56 H new ATOM 0 HE ARG A 12 -1.177 1.711 12.118 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -2.500 -1.151 10.519 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -2.370 -2.154 11.967 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -1.125 0.435 13.997 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -1.599 -1.265 13.917 1.00 1.95 H new ATOM 189 N CYS A 13 -1.464 2.635 7.554 1.00 0.42 N ATOM 190 CA CYS A 13 -0.677 1.775 6.685 1.00 0.44 C ATOM 191 C CYS A 13 0.145 2.635 5.748 1.00 0.30 C ATOM 192 O CYS A 13 1.327 2.392 5.510 1.00 0.29 O ATOM 193 CB CYS A 13 -1.613 0.864 5.877 1.00 0.57 C ATOM 194 SG CYS A 13 -1.395 0.977 4.086 1.00 2.16 S ATOM 0 H CYS A 13 -2.471 2.490 7.481 1.00 0.42 H new ATOM 0 HA CYS A 13 -0.011 1.155 7.285 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -1.453 -0.169 6.187 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -2.645 1.114 6.122 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.400 1.617 3.566 1.00 2.16 H new ATOM 200 N ILE A 14 -0.501 3.664 5.253 1.00 0.26 N ATOM 201 CA ILE A 14 0.080 4.558 4.290 1.00 0.24 C ATOM 202 C ILE A 14 1.178 5.416 4.908 1.00 0.21 C ATOM 203 O ILE A 14 2.201 5.686 4.275 1.00 0.23 O ATOM 204 CB ILE A 14 -1.024 5.436 3.691 1.00 0.24 C ATOM 205 CG1 ILE A 14 -1.930 4.595 2.797 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.442 6.602 2.924 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.169 5.332 2.366 1.00 0.27 C ATOM 0 H ILE A 14 -1.458 3.904 5.514 1.00 0.26 H new ATOM 0 HA ILE A 14 0.546 3.967 3.502 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.618 5.846 4.507 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.373 4.282 1.914 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.218 3.689 3.329 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.250 7.206 2.511 1.00 0.27 H new ATOM 0 HG22 ILE A 14 0.162 7.213 3.594 1.00 0.27 H new ATOM 0 HG23 ILE A 14 0.182 6.228 2.112 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -3.775 4.685 1.732 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -3.745 5.621 3.245 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -2.886 6.224 1.808 1.00 0.27 H new ATOM 219 N GLU A 15 0.986 5.811 6.156 1.00 0.24 N ATOM 220 CA GLU A 15 1.965 6.631 6.838 1.00 0.28 C ATOM 221 C GLU A 15 3.104 5.756 7.315 1.00 0.30 C ATOM 222 O GLU A 15 4.204 6.231 7.588 1.00 0.34 O ATOM 223 CB GLU A 15 1.330 7.377 8.003 1.00 0.32 C ATOM 224 CG GLU A 15 0.178 8.267 7.578 1.00 0.33 C ATOM 225 CD GLU A 15 -0.412 9.050 8.728 1.00 0.38 C ATOM 226 OE1 GLU A 15 -1.244 8.493 9.472 1.00 1.26 O ATOM 227 OE2 GLU A 15 -0.045 10.231 8.890 1.00 1.06 O ATOM 0 H GLU A 15 0.164 5.577 6.713 1.00 0.24 H new ATOM 0 HA GLU A 15 2.353 7.376 6.144 1.00 0.28 H new ATOM 0 HB2 GLU A 15 0.973 6.656 8.738 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.089 7.985 8.495 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.524 8.961 6.812 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.601 7.654 7.124 1.00 0.33 H new ATOM 234 N SER A 16 2.832 4.465 7.400 1.00 0.31 N ATOM 235 CA SER A 16 3.879 3.503 7.652 1.00 0.38 C ATOM 236 C SER A 16 4.779 3.435 6.438 1.00 0.29 C ATOM 237 O SER A 16 5.997 3.412 6.557 1.00 0.28 O ATOM 238 CB SER A 16 3.300 2.123 7.961 1.00 0.54 C ATOM 239 OG SER A 16 2.449 2.165 9.091 1.00 0.97 O ATOM 0 H SER A 16 1.899 4.065 7.298 1.00 0.31 H new ATOM 0 HA SER A 16 4.452 3.820 8.524 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.744 1.758 7.098 1.00 0.54 H new ATOM 0 HB3 SER A 16 4.111 1.417 8.140 1.00 0.54 H new ATOM 0 HG SER A 16 1.763 2.853 8.959 1.00 0.97 H new ATOM 245 N LEU A 17 4.157 3.438 5.266 1.00 0.27 N ATOM 246 CA LEU A 17 4.881 3.460 4.008 1.00 0.28 C ATOM 247 C LEU A 17 5.671 4.746 3.885 1.00 0.27 C ATOM 248 O LEU A 17 6.725 4.778 3.266 1.00 0.32 O ATOM 249 CB LEU A 17 3.907 3.334 2.849 1.00 0.29 C ATOM 250 CG LEU A 17 3.015 2.102 2.923 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.933 2.147 1.864 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.859 0.844 2.787 1.00 0.46 C ATOM 0 H LEU A 17 3.142 3.425 5.164 1.00 0.27 H new ATOM 0 HA LEU A 17 5.573 2.619 3.983 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.279 4.224 2.817 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.470 3.308 1.916 1.00 0.29 H new ATOM 0 HG LEU A 17 2.520 2.088 3.894 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.311 1.255 1.941 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.316 3.033 2.012 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.392 2.185 0.876 1.00 0.33 H new ATOM 0 HD21 LEU A 17 3.215 -0.034 2.841 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.377 0.856 1.828 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.590 0.807 3.594 1.00 0.46 H new ATOM 264 N ILE A 18 5.137 5.816 4.452 1.00 0.27 N ATOM 265 CA ILE A 18 5.884 7.057 4.567 1.00 0.30 C ATOM 266 C ILE A 18 7.125 6.829 5.413 1.00 0.28 C ATOM 267 O ILE A 18 8.242 7.047 4.964 1.00 0.30 O ATOM 268 CB ILE A 18 5.051 8.188 5.204 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.861 8.552 4.318 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.927 9.410 5.450 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.981 9.631 4.910 1.00 1.37 C ATOM 0 H ILE A 18 4.193 5.850 4.838 1.00 0.27 H new ATOM 0 HA ILE A 18 6.153 7.364 3.556 1.00 0.30 H new ATOM 0 HB ILE A 18 4.665 7.835 6.160 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.228 8.885 3.347 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.261 7.659 4.143 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.328 10.202 5.900 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.742 9.144 6.123 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.338 9.759 4.503 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.155 9.841 4.230 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.585 9.293 5.868 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.568 10.538 5.060 1.00 1.37 H new ATOM 283 N ALA A 19 6.908 6.355 6.628 1.00 0.25 N ATOM 284 CA ALA A 19 7.986 6.151 7.579 1.00 0.25 C ATOM 285 C ALA A 19 9.078 5.236 7.022 1.00 0.23 C ATOM 286 O ALA A 19 10.256 5.589 7.058 1.00 0.28 O ATOM 287 CB ALA A 19 7.427 5.603 8.880 1.00 0.28 C ATOM 0 H ALA A 19 5.985 6.102 6.981 1.00 0.25 H new ATOM 0 HA ALA A 19 8.454 7.117 7.770 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.240 5.452 9.590 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.710 6.311 9.295 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.929 4.652 8.690 1.00 0.28 H new ATOM 293 N VAL A 20 8.692 4.076 6.491 1.00 0.20 N ATOM 294 CA VAL A 20 9.670 3.142 5.940 1.00 0.22 C ATOM 295 C VAL A 20 10.328 3.694 4.681 1.00 0.23 C ATOM 296 O VAL A 20 11.551 3.629 4.538 1.00 0.27 O ATOM 297 CB VAL A 20 9.086 1.737 5.644 1.00 0.27 C ATOM 298 CG1 VAL A 20 7.801 1.820 4.845 1.00 0.87 C ATOM 299 CG2 VAL A 20 10.103 0.895 4.902 1.00 0.87 C ATOM 0 H VAL A 20 7.723 3.765 6.431 1.00 0.20 H new ATOM 0 HA VAL A 20 10.421 3.025 6.721 1.00 0.22 H new ATOM 0 HB VAL A 20 8.854 1.268 6.600 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.423 0.815 4.658 1.00 0.87 H new ATOM 0 HG12 VAL A 20 7.059 2.388 5.407 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.995 2.317 3.895 1.00 0.87 H new ATOM 0 HG21 VAL A 20 9.682 -0.090 4.699 1.00 0.87 H new ATOM 0 HG22 VAL A 20 10.360 1.380 3.960 1.00 0.87 H new ATOM 0 HG23 VAL A 20 11.000 0.787 5.511 1.00 0.87 H new ATOM 309 N PHE A 21 9.533 4.243 3.771 1.00 0.23 N ATOM 310 CA PHE A 21 10.096 4.780 2.539 1.00 0.25 C ATOM 311 C PHE A 21 11.090 5.894 2.849 1.00 0.29 C ATOM 312 O PHE A 21 12.192 5.911 2.319 1.00 0.35 O ATOM 313 CB PHE A 21 9.005 5.300 1.602 1.00 0.26 C ATOM 314 CG PHE A 21 9.523 5.751 0.268 1.00 0.91 C ATOM 315 CD1 PHE A 21 9.702 4.840 -0.759 1.00 1.85 C ATOM 316 CD2 PHE A 21 9.834 7.080 0.039 1.00 1.59 C ATOM 317 CE1 PHE A 21 10.180 5.245 -1.987 1.00 2.48 C ATOM 318 CE2 PHE A 21 10.315 7.489 -1.187 1.00 2.17 C ATOM 319 CZ PHE A 21 10.487 6.571 -2.201 1.00 2.40 C ATOM 0 H PHE A 21 8.520 4.327 3.858 1.00 0.23 H new ATOM 0 HA PHE A 21 10.615 3.966 2.033 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.265 4.514 1.448 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.491 6.132 2.083 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.464 3.799 -0.596 1.00 1.85 H new ATOM 0 HD2 PHE A 21 9.699 7.804 0.829 1.00 1.59 H new ATOM 0 HE1 PHE A 21 10.314 4.524 -2.780 1.00 2.48 H new ATOM 0 HE2 PHE A 21 10.557 8.528 -1.353 1.00 2.17 H new ATOM 0 HZ PHE A 21 10.862 6.891 -3.162 1.00 2.40 H new ATOM 329 N GLN A 22 10.710 6.792 3.743 1.00 0.30 N ATOM 330 CA GLN A 22 11.513 7.969 4.043 1.00 0.37 C ATOM 331 C GLN A 22 12.772 7.628 4.825 1.00 0.36 C ATOM 332 O GLN A 22 13.757 8.365 4.765 1.00 0.44 O ATOM 333 CB GLN A 22 10.681 8.995 4.814 1.00 0.47 C ATOM 334 CG GLN A 22 10.216 10.162 3.958 1.00 1.12 C ATOM 335 CD GLN A 22 9.354 9.742 2.781 1.00 1.98 C ATOM 336 OE1 GLN A 22 8.618 8.760 2.835 1.00 2.68 O ATOM 337 NE2 GLN A 22 9.451 10.487 1.696 1.00 2.66 N ATOM 0 H GLN A 22 9.844 6.728 4.278 1.00 0.30 H new ATOM 0 HA GLN A 22 11.827 8.394 3.090 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.810 8.498 5.241 1.00 0.47 H new ATOM 0 HB3 GLN A 22 11.271 9.378 5.647 1.00 0.47 H new ATOM 0 HG2 GLN A 22 9.653 10.858 4.580 1.00 1.12 H new ATOM 0 HG3 GLN A 22 11.088 10.700 3.586 1.00 1.12 H new ATOM 0 HE21 GLN A 22 10.073 11.296 1.687 1.00 2.66 H new ATOM 0 HE22 GLN A 22 8.904 10.254 0.867 1.00 2.66 H new ATOM 346 N LYS A 23 12.762 6.519 5.551 1.00 0.35 N ATOM 347 CA LYS A 23 13.922 6.160 6.351 1.00 0.39 C ATOM 348 C LYS A 23 14.984 5.488 5.486 1.00 0.40 C ATOM 349 O LYS A 23 16.180 5.659 5.713 1.00 0.49 O ATOM 350 CB LYS A 23 13.526 5.276 7.548 1.00 0.41 C ATOM 351 CG LYS A 23 12.997 3.914 7.188 1.00 0.42 C ATOM 352 CD LYS A 23 12.224 3.327 8.349 1.00 0.63 C ATOM 353 CE LYS A 23 12.084 1.834 8.196 1.00 0.63 C ATOM 354 NZ LYS A 23 11.126 1.243 9.170 1.00 0.91 N ATOM 0 H LYS A 23 11.981 5.865 5.603 1.00 0.35 H new ATOM 0 HA LYS A 23 14.350 7.077 6.757 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.397 5.152 8.192 1.00 0.41 H new ATOM 0 HB3 LYS A 23 12.769 5.800 8.132 1.00 0.41 H new ATOM 0 HG2 LYS A 23 12.352 3.987 6.312 1.00 0.42 H new ATOM 0 HG3 LYS A 23 13.823 3.254 6.922 1.00 0.42 H new ATOM 0 HD2 LYS A 23 12.734 3.555 9.285 1.00 0.63 H new ATOM 0 HD3 LYS A 23 11.237 3.786 8.404 1.00 0.63 H new ATOM 0 HE2 LYS A 23 11.752 1.606 7.183 1.00 0.63 H new ATOM 0 HE3 LYS A 23 13.060 1.367 8.324 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 11.169 0.205 9.113 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 11.377 1.547 10.132 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 10.162 1.563 8.946 1.00 0.91 H new ATOM 368 N TYR A 24 14.547 4.729 4.487 1.00 0.36 N ATOM 369 CA TYR A 24 15.469 4.072 3.573 1.00 0.39 C ATOM 370 C TYR A 24 15.851 4.966 2.401 1.00 0.34 C ATOM 371 O TYR A 24 17.027 5.096 2.070 1.00 0.40 O ATOM 372 CB TYR A 24 14.880 2.752 3.095 1.00 0.46 C ATOM 373 CG TYR A 24 14.925 1.700 4.173 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.142 1.226 4.640 1.00 1.67 C ATOM 375 CD2 TYR A 24 13.765 1.205 4.747 1.00 1.52 C ATOM 376 CE1 TYR A 24 16.204 0.293 5.653 1.00 1.99 C ATOM 377 CE2 TYR A 24 13.818 0.264 5.756 1.00 1.83 C ATOM 378 CZ TYR A 24 15.039 -0.184 6.208 1.00 1.72 C ATOM 379 OH TYR A 24 15.099 -1.104 7.226 1.00 2.15 O ATOM 0 H TYR A 24 13.561 4.555 4.291 1.00 0.36 H new ATOM 0 HA TYR A 24 16.390 3.867 4.118 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.848 2.907 2.780 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.431 2.402 2.222 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.058 1.595 4.202 1.00 1.67 H new ATOM 0 HD2 TYR A 24 12.806 1.560 4.400 1.00 1.52 H new ATOM 0 HE1 TYR A 24 17.160 -0.061 6.008 1.00 1.99 H new ATOM 0 HE2 TYR A 24 12.906 -0.119 6.189 1.00 1.83 H new ATOM 0 HH TYR A 24 14.715 -1.953 6.923 1.00 2.15 H new ATOM 389 N ALA A 25 14.864 5.591 1.779 1.00 0.29 N ATOM 390 CA ALA A 25 15.117 6.490 0.660 1.00 0.34 C ATOM 391 C ALA A 25 15.882 7.716 1.134 1.00 0.47 C ATOM 392 O ALA A 25 16.662 8.309 0.390 1.00 0.58 O ATOM 393 CB ALA A 25 13.809 6.896 0.002 1.00 0.37 C ATOM 0 H ALA A 25 13.880 5.494 2.029 1.00 0.29 H new ATOM 0 HA ALA A 25 15.725 5.968 -0.079 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.014 7.567 -0.832 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.295 6.008 -0.365 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.178 7.405 0.731 1.00 0.37 H new ATOM 399 N GLY A 26 15.671 8.070 2.397 1.00 0.49 N ATOM 400 CA GLY A 26 16.358 9.202 2.985 1.00 0.64 C ATOM 401 C GLY A 26 17.854 8.978 3.097 1.00 0.75 C ATOM 402 O GLY A 26 18.622 9.931 3.222 1.00 0.96 O ATOM 0 H GLY A 26 15.031 7.588 3.028 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.171 10.090 2.382 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.948 9.398 3.976 1.00 0.64 H new ATOM 503 N THR A 33 12.963 8.752 -3.835 1.00 0.67 N ATOM 504 CA THR A 33 13.324 7.497 -4.473 1.00 0.46 C ATOM 505 C THR A 33 14.216 6.636 -3.585 1.00 0.38 C ATOM 506 O THR A 33 15.273 7.062 -3.123 1.00 0.44 O ATOM 507 CB THR A 33 14.027 7.745 -5.820 1.00 0.45 C ATOM 508 OG1 THR A 33 14.144 9.155 -6.073 1.00 0.66 O ATOM 509 CG2 THR A 33 13.271 7.076 -6.958 1.00 0.43 C ATOM 0 HA THR A 33 12.393 6.957 -4.645 1.00 0.46 H new ATOM 0 HB THR A 33 15.025 7.310 -5.764 1.00 0.45 H new ATOM 0 HG1 THR A 33 13.831 9.655 -5.290 1.00 0.66 H new ATOM 0 HG21 THR A 33 13.787 7.266 -7.899 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.223 6.002 -6.781 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.260 7.481 -7.011 1.00 0.43 H new ATOM 517 N LEU A 34 13.759 5.419 -3.363 1.00 0.32 N ATOM 518 CA LEU A 34 14.483 4.420 -2.599 1.00 0.30 C ATOM 519 C LEU A 34 15.398 3.668 -3.542 1.00 0.31 C ATOM 520 O LEU A 34 14.955 2.833 -4.329 1.00 0.34 O ATOM 521 CB LEU A 34 13.449 3.489 -1.954 1.00 0.30 C ATOM 522 CG LEU A 34 13.648 3.168 -0.472 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.373 2.592 0.125 1.00 0.45 C ATOM 524 CD2 LEU A 34 14.793 2.197 -0.282 1.00 0.28 C ATOM 0 H LEU A 34 12.859 5.091 -3.714 1.00 0.32 H new ATOM 0 HA LEU A 34 15.095 4.867 -1.815 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.463 3.938 -2.076 1.00 0.30 H new ATOM 0 HB3 LEU A 34 13.443 2.550 -2.508 1.00 0.30 H new ATOM 0 HG LEU A 34 13.891 4.097 0.045 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.533 2.370 1.180 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.565 3.317 0.026 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.106 1.676 -0.402 1.00 0.45 H new ATOM 0 HD21 LEU A 34 14.916 1.983 0.780 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.578 1.272 -0.816 1.00 0.28 H new ATOM 0 HD23 LEU A 34 15.711 2.636 -0.673 1.00 0.28 H new ATOM 536 N SER A 35 16.678 4.002 -3.470 1.00 0.32 N ATOM 537 CA SER A 35 17.658 3.474 -4.396 1.00 0.33 C ATOM 538 C SER A 35 17.844 1.979 -4.186 1.00 0.32 C ATOM 539 O SER A 35 17.456 1.449 -3.148 1.00 0.30 O ATOM 540 CB SER A 35 18.977 4.230 -4.237 1.00 0.37 C ATOM 541 OG SER A 35 19.911 3.869 -5.239 1.00 0.40 O ATOM 0 H SER A 35 17.060 4.641 -2.773 1.00 0.32 H new ATOM 0 HA SER A 35 17.301 3.617 -5.416 1.00 0.33 H new ATOM 0 HB2 SER A 35 18.790 5.303 -4.283 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.399 4.022 -3.254 1.00 0.37 H new ATOM 0 HG SER A 35 20.742 4.372 -5.108 1.00 0.40 H new ATOM 547 N LYS A 36 18.430 1.310 -5.176 1.00 0.38 N ATOM 548 CA LYS A 36 18.553 -0.143 -5.163 1.00 0.42 C ATOM 549 C LYS A 36 19.122 -0.650 -3.845 1.00 0.36 C ATOM 550 O LYS A 36 18.472 -1.424 -3.155 1.00 0.35 O ATOM 551 CB LYS A 36 19.422 -0.631 -6.321 1.00 0.53 C ATOM 552 CG LYS A 36 19.515 -2.147 -6.392 1.00 0.62 C ATOM 553 CD LYS A 36 20.286 -2.609 -7.612 1.00 0.66 C ATOM 554 CE LYS A 36 20.319 -4.126 -7.700 1.00 0.61 C ATOM 555 NZ LYS A 36 21.081 -4.592 -8.886 1.00 0.65 N ATOM 0 H LYS A 36 18.829 1.756 -6.002 1.00 0.38 H new ATOM 0 HA LYS A 36 17.547 -0.546 -5.279 1.00 0.42 H new ATOM 0 HB2 LYS A 36 19.015 -0.253 -7.259 1.00 0.53 H new ATOM 0 HB3 LYS A 36 20.424 -0.215 -6.217 1.00 0.53 H new ATOM 0 HG2 LYS A 36 20.000 -2.524 -5.492 1.00 0.62 H new ATOM 0 HG3 LYS A 36 18.511 -2.572 -6.414 1.00 0.62 H new ATOM 0 HD2 LYS A 36 19.827 -2.200 -8.512 1.00 0.66 H new ATOM 0 HD3 LYS A 36 21.304 -2.222 -7.570 1.00 0.66 H new ATOM 0 HE2 LYS A 36 20.770 -4.533 -6.795 1.00 0.61 H new ATOM 0 HE3 LYS A 36 19.300 -4.510 -7.749 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.849 -5.587 -9.079 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.829 -4.011 -9.711 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 22.100 -4.504 -8.700 1.00 0.65 H new ATOM 569 N THR A 37 20.316 -0.198 -3.487 1.00 0.37 N ATOM 570 CA THR A 37 20.965 -0.649 -2.262 1.00 0.38 C ATOM 571 C THR A 37 20.137 -0.297 -1.025 1.00 0.36 C ATOM 572 O THR A 37 20.097 -1.056 -0.052 1.00 0.38 O ATOM 573 CB THR A 37 22.364 -0.041 -2.116 1.00 0.44 C ATOM 574 OG1 THR A 37 23.131 -0.298 -3.299 1.00 0.48 O ATOM 575 CG2 THR A 37 23.067 -0.643 -0.909 1.00 0.49 C ATOM 0 H THR A 37 20.855 0.480 -4.026 1.00 0.37 H new ATOM 0 HA THR A 37 21.050 -1.733 -2.336 1.00 0.38 H new ATOM 0 HB THR A 37 22.270 1.036 -1.975 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.024 0.094 -3.202 1.00 0.48 H new ATOM 0 HG21 THR A 37 24.061 -0.206 -0.811 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.489 -0.434 -0.009 1.00 0.49 H new ATOM 0 HG23 THR A 37 23.156 -1.721 -1.040 1.00 0.49 H new ATOM 583 N GLU A 38 19.450 0.835 -1.078 1.00 0.34 N ATOM 584 CA GLU A 38 18.626 1.263 0.040 1.00 0.34 C ATOM 585 C GLU A 38 17.421 0.349 0.135 1.00 0.34 C ATOM 586 O GLU A 38 16.905 0.074 1.219 1.00 0.48 O ATOM 587 CB GLU A 38 18.173 2.711 -0.122 1.00 0.35 C ATOM 588 CG GLU A 38 19.274 3.666 -0.555 1.00 0.47 C ATOM 589 CD GLU A 38 20.524 3.576 0.295 1.00 1.27 C ATOM 590 OE1 GLU A 38 20.421 3.306 1.507 1.00 1.96 O ATOM 591 OE2 GLU A 38 21.627 3.766 -0.261 1.00 2.16 O ATOM 0 H GLU A 38 19.447 1.469 -1.877 1.00 0.34 H new ATOM 0 HA GLU A 38 19.217 1.205 0.954 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.367 2.748 -0.855 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.759 3.058 0.825 1.00 0.35 H new ATOM 0 HG2 GLU A 38 19.535 3.460 -1.593 1.00 0.47 H new ATOM 0 HG3 GLU A 38 18.893 4.687 -0.519 1.00 0.47 H new ATOM 598 N PHE A 39 17.000 -0.141 -1.023 1.00 0.29 N ATOM 599 CA PHE A 39 15.862 -1.023 -1.117 1.00 0.31 C ATOM 600 C PHE A 39 16.288 -2.419 -0.733 1.00 0.28 C ATOM 601 O PHE A 39 15.491 -3.204 -0.246 1.00 0.27 O ATOM 602 CB PHE A 39 15.294 -1.017 -2.534 1.00 0.53 C ATOM 603 CG PHE A 39 13.801 -1.143 -2.573 1.00 0.81 C ATOM 604 CD1 PHE A 39 13.010 -0.080 -2.195 1.00 1.76 C ATOM 605 CD2 PHE A 39 13.191 -2.317 -2.977 1.00 1.78 C ATOM 606 CE1 PHE A 39 11.638 -0.173 -2.219 1.00 2.62 C ATOM 607 CE2 PHE A 39 11.816 -2.421 -3.003 1.00 2.66 C ATOM 608 CZ PHE A 39 11.037 -1.343 -2.623 1.00 2.88 C ATOM 0 H PHE A 39 17.442 0.066 -1.919 1.00 0.29 H new ATOM 0 HA PHE A 39 15.082 -0.677 -0.438 1.00 0.31 H new ATOM 0 HB2 PHE A 39 15.587 -0.093 -3.032 1.00 0.53 H new ATOM 0 HB3 PHE A 39 15.736 -1.838 -3.099 1.00 0.53 H new ATOM 0 HD1 PHE A 39 13.475 0.841 -1.875 1.00 1.76 H new ATOM 0 HD2 PHE A 39 13.797 -3.160 -3.275 1.00 1.78 H new ATOM 0 HE1 PHE A 39 11.033 0.671 -1.921 1.00 2.62 H new ATOM 0 HE2 PHE A 39 11.349 -3.342 -3.319 1.00 2.66 H new ATOM 0 HZ PHE A 39 9.960 -1.419 -2.643 1.00 2.88 H new ATOM 618 N LEU A 40 17.556 -2.720 -0.966 1.00 0.33 N ATOM 619 CA LEU A 40 18.133 -3.971 -0.516 1.00 0.37 C ATOM 620 C LEU A 40 18.041 -4.031 0.999 1.00 0.40 C ATOM 621 O LEU A 40 17.526 -4.991 1.566 1.00 0.43 O ATOM 622 CB LEU A 40 19.591 -4.090 -0.966 1.00 0.43 C ATOM 623 CG LEU A 40 19.835 -3.911 -2.467 1.00 0.50 C ATOM 624 CD1 LEU A 40 21.209 -4.424 -2.859 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.749 -4.581 -3.284 1.00 0.46 C ATOM 0 H LEU A 40 18.204 -2.111 -1.466 1.00 0.33 H new ATOM 0 HA LEU A 40 17.582 -4.803 -0.954 1.00 0.37 H new ATOM 0 HB2 LEU A 40 20.180 -3.347 -0.429 1.00 0.43 H new ATOM 0 HB3 LEU A 40 19.966 -5.070 -0.669 1.00 0.43 H new ATOM 0 HG LEU A 40 19.801 -2.843 -2.685 1.00 0.50 H new ATOM 0 HD11 LEU A 40 21.357 -4.285 -3.930 1.00 1.07 H new ATOM 0 HD12 LEU A 40 21.973 -3.872 -2.312 1.00 1.07 H new ATOM 0 HD13 LEU A 40 21.284 -5.484 -2.617 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.950 -4.436 -4.345 1.00 0.46 H new ATOM 0 HD22 LEU A 40 18.731 -5.648 -3.060 1.00 0.46 H new ATOM 0 HD23 LEU A 40 17.783 -4.142 -3.035 1.00 0.46 H new ATOM 637 N SER A 41 18.522 -2.976 1.642 1.00 0.42 N ATOM 638 CA SER A 41 18.380 -2.823 3.081 1.00 0.52 C ATOM 639 C SER A 41 16.910 -2.918 3.480 1.00 0.45 C ATOM 640 O SER A 41 16.560 -3.692 4.365 1.00 0.47 O ATOM 641 CB SER A 41 18.982 -1.490 3.524 1.00 0.67 C ATOM 642 OG SER A 41 20.341 -1.404 3.131 1.00 1.40 O ATOM 0 H SER A 41 19.017 -2.210 1.185 1.00 0.42 H new ATOM 0 HA SER A 41 18.919 -3.628 3.581 1.00 0.52 H new ATOM 0 HB2 SER A 41 18.418 -0.666 3.086 1.00 0.67 H new ATOM 0 HB3 SER A 41 18.903 -1.391 4.607 1.00 0.67 H new ATOM 0 HG SER A 41 20.392 -1.200 2.174 1.00 1.40 H new ATOM 648 N PHE A 42 16.060 -2.139 2.806 1.00 0.42 N ATOM 649 CA PHE A 42 14.606 -2.220 2.974 1.00 0.46 C ATOM 650 C PHE A 42 14.129 -3.667 2.927 1.00 0.29 C ATOM 651 O PHE A 42 13.583 -4.183 3.887 1.00 0.43 O ATOM 652 CB PHE A 42 13.912 -1.444 1.857 1.00 0.80 C ATOM 653 CG PHE A 42 12.440 -1.718 1.757 1.00 1.89 C ATOM 654 CD1 PHE A 42 11.579 -1.398 2.790 1.00 2.69 C ATOM 655 CD2 PHE A 42 11.925 -2.323 0.628 1.00 2.77 C ATOM 656 CE1 PHE A 42 10.229 -1.677 2.690 1.00 3.73 C ATOM 657 CE2 PHE A 42 10.582 -2.605 0.528 1.00 3.80 C ATOM 658 CZ PHE A 42 9.733 -2.283 1.559 1.00 4.13 C ATOM 0 H PHE A 42 16.359 -1.436 2.130 1.00 0.42 H new ATOM 0 HA PHE A 42 14.357 -1.793 3.945 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.064 -0.377 2.019 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.384 -1.692 0.906 1.00 0.80 H new ATOM 0 HD1 PHE A 42 11.964 -0.926 3.682 1.00 2.69 H new ATOM 0 HD2 PHE A 42 12.585 -2.578 -0.188 1.00 2.77 H new ATOM 0 HE1 PHE A 42 9.563 -1.419 3.500 1.00 3.73 H new ATOM 0 HE2 PHE A 42 10.195 -3.080 -0.362 1.00 3.80 H new ATOM 0 HZ PHE A 42 8.679 -2.505 1.482 1.00 4.13 H new ATOM 668 N MET A 43 14.351 -4.309 1.800 1.00 0.26 N ATOM 669 CA MET A 43 13.830 -5.646 1.553 1.00 0.29 C ATOM 670 C MET A 43 14.362 -6.688 2.533 1.00 0.29 C ATOM 671 O MET A 43 13.610 -7.538 2.989 1.00 0.37 O ATOM 672 CB MET A 43 14.131 -6.070 0.122 1.00 0.39 C ATOM 673 CG MET A 43 13.220 -5.408 -0.903 1.00 0.62 C ATOM 674 SD MET A 43 13.652 -5.797 -2.610 1.00 1.22 S ATOM 675 CE MET A 43 15.269 -5.037 -2.732 1.00 2.26 C ATOM 0 H MET A 43 14.896 -3.924 1.028 1.00 0.26 H new ATOM 0 HA MET A 43 12.752 -5.595 1.706 1.00 0.29 H new ATOM 0 HB2 MET A 43 15.168 -5.827 -0.112 1.00 0.39 H new ATOM 0 HB3 MET A 43 14.031 -7.152 0.042 1.00 0.39 H new ATOM 0 HG2 MET A 43 12.192 -5.719 -0.717 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.256 -4.327 -0.765 1.00 0.62 H new ATOM 0 HE1 MET A 43 15.631 -5.115 -3.757 1.00 2.26 H new ATOM 0 HE2 MET A 43 15.199 -3.986 -2.450 1.00 2.26 H new ATOM 0 HE3 MET A 43 15.962 -5.547 -2.063 1.00 2.26 H new ATOM 685 N ASN A 44 15.641 -6.635 2.869 1.00 0.29 N ATOM 686 CA ASN A 44 16.205 -7.641 3.770 1.00 0.33 C ATOM 687 C ASN A 44 15.769 -7.419 5.213 1.00 0.32 C ATOM 688 O ASN A 44 15.902 -8.314 6.043 1.00 0.39 O ATOM 689 CB ASN A 44 17.729 -7.669 3.718 1.00 0.42 C ATOM 690 CG ASN A 44 18.285 -8.237 2.425 1.00 1.05 C ATOM 691 OD1 ASN A 44 18.470 -9.546 2.384 1.00 1.54 O flip ATOM 692 ND2 ASN A 44 18.562 -7.507 1.475 1.00 1.83 N flip ATOM 0 H ASN A 44 16.299 -5.927 2.544 1.00 0.29 H new ATOM 0 HA ASN A 44 15.820 -8.599 3.420 1.00 0.33 H new ATOM 0 HB2 ASN A 44 18.107 -6.655 3.851 1.00 0.42 H new ATOM 0 HB3 ASN A 44 18.101 -8.261 4.554 1.00 0.42 H new ATOM 0 HD21 ASN A 44 18.406 -6.501 1.542 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.948 -7.907 0.620 1.00 1.83 H new ATOM 699 N THR A 45 15.280 -6.228 5.525 1.00 0.26 N ATOM 700 CA THR A 45 14.838 -5.935 6.889 1.00 0.29 C ATOM 701 C THR A 45 13.317 -5.911 6.990 1.00 0.28 C ATOM 702 O THR A 45 12.703 -6.736 7.672 1.00 0.34 O ATOM 703 CB THR A 45 15.392 -4.581 7.373 1.00 0.29 C ATOM 704 OG1 THR A 45 15.081 -3.561 6.420 1.00 0.34 O ATOM 705 CG2 THR A 45 16.896 -4.649 7.577 1.00 0.34 C ATOM 0 H THR A 45 15.178 -5.456 4.866 1.00 0.26 H new ATOM 0 HA THR A 45 15.224 -6.733 7.523 1.00 0.29 H new ATOM 0 HB THR A 45 14.925 -4.343 8.329 1.00 0.29 H new ATOM 0 HG1 THR A 45 15.848 -3.423 5.826 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.261 -3.680 7.919 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.128 -5.408 8.324 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.380 -4.907 6.635 1.00 0.34 H new ATOM 713 N GLU A 46 12.725 -4.981 6.264 1.00 0.23 N ATOM 714 CA GLU A 46 11.298 -4.752 6.279 1.00 0.25 C ATOM 715 C GLU A 46 10.562 -5.875 5.569 1.00 0.25 C ATOM 716 O GLU A 46 9.404 -6.145 5.854 1.00 0.34 O ATOM 717 CB GLU A 46 10.981 -3.418 5.601 1.00 0.29 C ATOM 718 CG GLU A 46 11.409 -2.189 6.394 1.00 0.58 C ATOM 719 CD GLU A 46 10.587 -1.980 7.653 1.00 1.17 C ATOM 720 OE1 GLU A 46 9.380 -2.290 7.642 1.00 1.70 O ATOM 721 OE2 GLU A 46 11.143 -1.476 8.655 1.00 1.68 O ATOM 0 H GLU A 46 13.233 -4.355 5.639 1.00 0.23 H new ATOM 0 HA GLU A 46 10.965 -4.723 7.317 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.470 -3.395 4.627 1.00 0.29 H new ATOM 0 HB3 GLU A 46 9.907 -3.363 5.420 1.00 0.29 H new ATOM 0 HG2 GLU A 46 12.460 -2.286 6.665 1.00 0.58 H new ATOM 0 HG3 GLU A 46 11.324 -1.306 5.760 1.00 0.58 H new ATOM 728 N LEU A 47 11.222 -6.545 4.644 1.00 0.25 N ATOM 729 CA LEU A 47 10.563 -7.625 3.930 1.00 0.26 C ATOM 730 C LEU A 47 11.337 -8.912 4.047 1.00 0.28 C ATOM 731 O LEU A 47 11.283 -9.756 3.159 1.00 0.30 O ATOM 732 CB LEU A 47 10.366 -7.282 2.464 1.00 0.26 C ATOM 733 CG LEU A 47 9.532 -6.038 2.192 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.443 -5.796 0.701 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.143 -6.185 2.802 1.00 0.27 C ATOM 0 H LEU A 47 12.189 -6.369 4.373 1.00 0.25 H new ATOM 0 HA LEU A 47 9.585 -7.759 4.393 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.345 -7.150 2.004 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.894 -8.131 1.970 1.00 0.26 H new ATOM 0 HG LEU A 47 10.014 -5.178 2.656 1.00 0.27 H new ATOM 0 HD11 LEU A 47 8.845 -4.904 0.512 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.445 -5.654 0.295 1.00 0.32 H new ATOM 0 HD13 LEU A 47 8.975 -6.655 0.220 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.559 -5.287 2.599 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.643 -7.049 2.365 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.232 -6.324 3.879 1.00 0.27 H new ATOM 747 N ALA A 48 12.062 -9.058 5.139 1.00 0.32 N ATOM 748 CA ALA A 48 12.802 -10.275 5.399 1.00 0.36 C ATOM 749 C ALA A 48 11.870 -11.484 5.442 1.00 0.39 C ATOM 750 O ALA A 48 12.290 -12.611 5.186 1.00 0.44 O ATOM 751 CB ALA A 48 13.583 -10.128 6.686 1.00 0.41 C ATOM 0 H ALA A 48 12.154 -8.345 5.863 1.00 0.32 H new ATOM 0 HA ALA A 48 13.506 -10.445 4.585 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.140 -11.045 6.881 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.278 -9.293 6.596 1.00 0.41 H new ATOM 0 HB3 ALA A 48 12.895 -9.940 7.510 1.00 0.41 H new ATOM 757 N ALA A 49 10.599 -11.230 5.748 1.00 0.38 N ATOM 758 CA ALA A 49 9.561 -12.250 5.669 1.00 0.41 C ATOM 759 C ALA A 49 9.501 -12.840 4.266 1.00 0.41 C ATOM 760 O ALA A 49 9.407 -14.050 4.085 1.00 0.47 O ATOM 761 CB ALA A 49 8.213 -11.647 6.032 1.00 0.44 C ATOM 0 H ALA A 49 10.264 -10.317 6.055 1.00 0.38 H new ATOM 0 HA ALA A 49 9.801 -13.046 6.374 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.442 -12.415 5.971 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.252 -11.253 7.047 1.00 0.44 H new ATOM 0 HB3 ALA A 49 7.977 -10.840 5.338 1.00 0.44 H new ATOM 767 N PHE A 50 9.573 -11.960 3.284 1.00 0.36 N ATOM 768 CA PHE A 50 9.517 -12.338 1.882 1.00 0.37 C ATOM 769 C PHE A 50 10.890 -12.722 1.352 1.00 0.38 C ATOM 770 O PHE A 50 11.058 -13.765 0.727 1.00 0.44 O ATOM 771 CB PHE A 50 8.977 -11.168 1.075 1.00 0.35 C ATOM 772 CG PHE A 50 7.481 -11.067 1.090 1.00 0.70 C ATOM 773 CD1 PHE A 50 6.831 -10.330 2.064 1.00 1.63 C ATOM 774 CD2 PHE A 50 6.724 -11.715 0.126 1.00 1.32 C ATOM 775 CE1 PHE A 50 5.453 -10.238 2.076 1.00 2.09 C ATOM 776 CE2 PHE A 50 5.346 -11.627 0.134 1.00 1.66 C ATOM 777 CZ PHE A 50 4.709 -10.888 1.110 1.00 1.80 C ATOM 0 H PHE A 50 9.673 -10.956 3.437 1.00 0.36 H new ATOM 0 HA PHE A 50 8.863 -13.205 1.787 1.00 0.37 H new ATOM 0 HB2 PHE A 50 9.399 -10.242 1.466 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.316 -11.262 0.043 1.00 0.35 H new ATOM 0 HD1 PHE A 50 7.407 -9.821 2.823 1.00 1.63 H new ATOM 0 HD2 PHE A 50 7.218 -12.295 -0.640 1.00 1.32 H new ATOM 0 HE1 PHE A 50 4.957 -9.658 2.840 1.00 2.09 H new ATOM 0 HE2 PHE A 50 4.767 -12.136 -0.623 1.00 1.66 H new ATOM 0 HZ PHE A 50 3.631 -10.818 1.119 1.00 1.80 H new ATOM 787 N THR A 51 11.853 -11.853 1.606 1.00 0.36 N ATOM 788 CA THR A 51 13.215 -12.005 1.120 1.00 0.40 C ATOM 789 C THR A 51 13.795 -13.379 1.447 1.00 0.45 C ATOM 790 O THR A 51 14.279 -14.087 0.562 1.00 0.54 O ATOM 791 CB THR A 51 14.096 -10.912 1.741 1.00 0.39 C ATOM 792 OG1 THR A 51 13.690 -9.629 1.251 1.00 0.39 O ATOM 793 CG2 THR A 51 15.569 -11.142 1.447 1.00 0.49 C ATOM 0 H THR A 51 11.710 -11.011 2.163 1.00 0.36 H new ATOM 0 HA THR A 51 13.196 -11.910 0.034 1.00 0.40 H new ATOM 0 HB THR A 51 13.967 -10.949 2.823 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.615 -9.002 2.000 1.00 0.39 H new ATOM 0 HG21 THR A 51 16.159 -10.347 1.903 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.876 -12.104 1.858 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.729 -11.140 0.369 1.00 0.49 H new ATOM 801 N LYS A 52 13.720 -13.758 2.711 1.00 0.48 N ATOM 802 CA LYS A 52 14.305 -15.010 3.160 1.00 0.60 C ATOM 803 C LYS A 52 13.480 -16.192 2.687 1.00 0.69 C ATOM 804 O LYS A 52 14.003 -17.283 2.459 1.00 0.84 O ATOM 805 CB LYS A 52 14.417 -15.014 4.677 1.00 0.70 C ATOM 806 CG LYS A 52 15.310 -13.902 5.197 1.00 0.78 C ATOM 807 CD LYS A 52 15.386 -13.890 6.710 1.00 1.07 C ATOM 808 CE LYS A 52 16.296 -12.777 7.199 1.00 1.24 C ATOM 809 NZ LYS A 52 16.378 -12.731 8.684 1.00 1.82 N ATOM 0 H LYS A 52 13.260 -13.218 3.444 1.00 0.48 H new ATOM 0 HA LYS A 52 15.302 -15.101 2.730 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.423 -14.910 5.112 1.00 0.70 H new ATOM 0 HB3 LYS A 52 14.810 -15.976 5.007 1.00 0.70 H new ATOM 0 HG2 LYS A 52 16.312 -14.021 4.785 1.00 0.78 H new ATOM 0 HG3 LYS A 52 14.933 -12.941 4.846 1.00 0.78 H new ATOM 0 HD2 LYS A 52 14.388 -13.758 7.127 1.00 1.07 H new ATOM 0 HD3 LYS A 52 15.756 -14.851 7.067 1.00 1.07 H new ATOM 0 HE2 LYS A 52 17.295 -12.918 6.786 1.00 1.24 H new ATOM 0 HE3 LYS A 52 15.929 -11.820 6.827 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 17.009 -11.957 8.973 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 15.430 -12.570 9.079 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 16.752 -13.634 9.039 1.00 1.82 H new ATOM 902 N GLY A 58 18.809 -12.446 -4.873 1.00 0.67 N ATOM 903 CA GLY A 58 18.728 -12.077 -6.273 1.00 0.56 C ATOM 904 C GLY A 58 17.309 -11.773 -6.691 1.00 0.49 C ATOM 905 O GLY A 58 17.079 -11.105 -7.695 1.00 0.48 O ATOM 0 HA2 GLY A 58 19.356 -11.205 -6.456 1.00 0.56 H new ATOM 0 HA3 GLY A 58 19.122 -12.888 -6.886 1.00 0.56 H new ATOM 909 N VAL A 59 16.352 -12.264 -5.919 1.00 0.52 N ATOM 910 CA VAL A 59 14.956 -11.953 -6.165 1.00 0.52 C ATOM 911 C VAL A 59 14.694 -10.483 -5.935 1.00 0.49 C ATOM 912 O VAL A 59 13.925 -9.863 -6.660 1.00 0.49 O ATOM 913 CB VAL A 59 14.007 -12.769 -5.268 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.337 -12.562 -3.799 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.565 -12.381 -5.546 1.00 0.66 C ATOM 0 H VAL A 59 16.517 -12.877 -5.120 1.00 0.52 H new ATOM 0 HA VAL A 59 14.758 -12.216 -7.204 1.00 0.52 H new ATOM 0 HB VAL A 59 14.140 -13.826 -5.499 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.653 -13.149 -3.186 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.361 -12.882 -3.608 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.234 -11.506 -3.548 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.902 -12.964 -4.907 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.428 -11.320 -5.340 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.329 -12.581 -6.591 1.00 0.66 H new ATOM 925 N LEU A 60 15.353 -9.929 -4.936 1.00 0.48 N ATOM 926 CA LEU A 60 15.188 -8.527 -4.610 1.00 0.46 C ATOM 927 C LEU A 60 15.671 -7.688 -5.776 1.00 0.43 C ATOM 928 O LEU A 60 15.199 -6.579 -6.015 1.00 0.41 O ATOM 929 CB LEU A 60 15.986 -8.172 -3.363 1.00 0.48 C ATOM 930 CG LEU A 60 15.794 -9.104 -2.167 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.533 -8.565 -0.951 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.316 -9.285 -1.868 1.00 0.52 C ATOM 0 H LEU A 60 16.008 -10.430 -4.336 1.00 0.48 H new ATOM 0 HA LEU A 60 14.134 -8.328 -4.417 1.00 0.46 H new ATOM 0 HB2 LEU A 60 17.044 -8.158 -3.623 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.719 -7.160 -3.059 1.00 0.48 H new ATOM 0 HG LEU A 60 16.212 -10.080 -2.414 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.387 -9.240 -0.108 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.597 -8.490 -1.175 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.146 -7.578 -0.698 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.197 -9.951 -1.014 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.870 -8.317 -1.638 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.819 -9.716 -2.737 1.00 0.52 H new ATOM 944 N ASP A 61 16.615 -8.260 -6.501 1.00 0.46 N ATOM 945 CA ASP A 61 17.169 -7.639 -7.696 1.00 0.46 C ATOM 946 C ASP A 61 16.121 -7.622 -8.790 1.00 0.47 C ATOM 947 O ASP A 61 16.035 -6.685 -9.584 1.00 0.51 O ATOM 948 CB ASP A 61 18.410 -8.409 -8.161 1.00 0.47 C ATOM 949 CG ASP A 61 19.192 -7.696 -9.248 1.00 0.48 C ATOM 950 OD1 ASP A 61 18.765 -7.724 -10.420 1.00 1.22 O ATOM 951 OD2 ASP A 61 20.250 -7.109 -8.935 1.00 1.19 O ATOM 0 H ASP A 61 17.021 -9.169 -6.280 1.00 0.46 H new ATOM 0 HA ASP A 61 17.462 -6.614 -7.467 1.00 0.46 H new ATOM 0 HB2 ASP A 61 19.064 -8.579 -7.306 1.00 0.47 H new ATOM 0 HB3 ASP A 61 18.104 -9.389 -8.528 1.00 0.47 H new ATOM 956 N ARG A 62 15.307 -8.662 -8.794 1.00 0.47 N ATOM 957 CA ARG A 62 14.231 -8.790 -9.751 1.00 0.51 C ATOM 958 C ARG A 62 13.097 -7.845 -9.379 1.00 0.50 C ATOM 959 O ARG A 62 12.530 -7.176 -10.241 1.00 0.56 O ATOM 960 CB ARG A 62 13.735 -10.234 -9.786 1.00 0.55 C ATOM 961 CG ARG A 62 14.862 -11.248 -9.877 1.00 0.55 C ATOM 962 CD ARG A 62 14.349 -12.673 -9.817 1.00 0.62 C ATOM 963 NE ARG A 62 13.448 -12.992 -10.923 1.00 1.45 N ATOM 964 CZ ARG A 62 12.961 -14.210 -11.154 1.00 1.97 C ATOM 965 NH1 ARG A 62 13.296 -15.223 -10.362 1.00 1.66 N ATOM 966 NH2 ARG A 62 12.140 -14.417 -12.177 1.00 3.02 N ATOM 0 H ARG A 62 15.375 -9.438 -8.135 1.00 0.47 H new ATOM 0 HA ARG A 62 14.596 -8.525 -10.743 1.00 0.51 H new ATOM 0 HB2 ARG A 62 13.147 -10.432 -8.890 1.00 0.55 H new ATOM 0 HB3 ARG A 62 13.069 -10.363 -10.639 1.00 0.55 H new ATOM 0 HG2 ARG A 62 15.410 -11.099 -10.807 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.566 -11.081 -9.062 1.00 0.55 H new ATOM 0 HD2 ARG A 62 15.195 -13.361 -9.832 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.828 -12.828 -8.872 1.00 0.62 H new ATOM 0 HE ARG A 62 13.177 -12.238 -11.554 1.00 1.45 H new ATOM 0 HH11 ARG A 62 13.927 -15.068 -9.576 1.00 1.66 H new ATOM 0 HH12 ARG A 62 12.922 -16.155 -10.540 1.00 1.66 H new ATOM 0 HH21 ARG A 62 11.881 -13.642 -12.788 1.00 3.02 H new ATOM 0 HH22 ARG A 62 11.768 -15.351 -12.352 1.00 3.02 H new ATOM 980 N MET A 63 12.786 -7.788 -8.080 1.00 0.45 N ATOM 981 CA MET A 63 11.763 -6.879 -7.573 1.00 0.44 C ATOM 982 C MET A 63 12.149 -5.459 -7.902 1.00 0.41 C ATOM 983 O MET A 63 11.363 -4.701 -8.453 1.00 0.42 O ATOM 984 CB MET A 63 11.604 -6.975 -6.055 1.00 0.43 C ATOM 985 CG MET A 63 11.577 -8.391 -5.510 1.00 0.49 C ATOM 986 SD MET A 63 10.158 -9.348 -6.083 1.00 0.64 S ATOM 987 CE MET A 63 8.804 -8.446 -5.334 1.00 1.54 C ATOM 0 H MET A 63 13.230 -8.362 -7.364 1.00 0.45 H new ATOM 0 HA MET A 63 10.822 -7.162 -8.044 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.423 -6.434 -5.582 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.681 -6.471 -5.767 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.494 -8.903 -5.802 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.566 -8.354 -4.421 1.00 0.49 H new ATOM 0 HE1 MET A 63 7.912 -9.073 -5.321 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.070 -8.172 -4.313 1.00 1.54 H new ATOM 0 HE3 MET A 63 8.605 -7.543 -5.911 1.00 1.54 H new ATOM 997 N MET A 64 13.379 -5.116 -7.559 1.00 0.41 N ATOM 998 CA MET A 64 13.892 -3.788 -7.805 1.00 0.42 C ATOM 999 C MET A 64 13.692 -3.385 -9.254 1.00 0.44 C ATOM 1000 O MET A 64 13.214 -2.301 -9.525 1.00 0.41 O ATOM 1001 CB MET A 64 15.374 -3.706 -7.433 1.00 0.55 C ATOM 1002 CG MET A 64 16.041 -2.433 -7.919 1.00 0.65 C ATOM 1003 SD MET A 64 17.036 -2.692 -9.401 1.00 1.87 S ATOM 1004 CE MET A 64 17.501 -1.006 -9.780 1.00 2.41 C ATOM 0 H MET A 64 14.041 -5.747 -7.107 1.00 0.41 H new ATOM 0 HA MET A 64 13.334 -3.093 -7.178 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.474 -3.771 -6.350 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.896 -4.566 -7.853 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.277 -1.683 -8.125 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.674 -2.034 -7.126 1.00 0.65 H new ATOM 0 HE1 MET A 64 16.871 -0.627 -10.585 1.00 2.41 H new ATOM 0 HE2 MET A 64 17.371 -0.385 -8.894 1.00 2.41 H new ATOM 0 HE3 MET A 64 18.545 -0.978 -10.093 1.00 2.41 H new ATOM 1014 N LYS A 65 14.023 -4.271 -10.176 1.00 0.52 N ATOM 1015 CA LYS A 65 13.988 -3.930 -11.597 1.00 0.56 C ATOM 1016 C LYS A 65 12.579 -3.782 -12.181 1.00 0.54 C ATOM 1017 O LYS A 65 12.362 -2.902 -13.013 1.00 0.60 O ATOM 1018 CB LYS A 65 14.821 -4.905 -12.420 1.00 0.66 C ATOM 1019 CG LYS A 65 16.257 -4.435 -12.584 1.00 0.79 C ATOM 1020 CD LYS A 65 16.312 -3.118 -13.352 1.00 0.86 C ATOM 1021 CE LYS A 65 17.656 -2.427 -13.214 1.00 1.57 C ATOM 1022 NZ LYS A 65 17.607 -1.026 -13.716 1.00 2.49 N ATOM 0 H LYS A 65 14.318 -5.226 -9.974 1.00 0.52 H new ATOM 0 HA LYS A 65 14.434 -2.937 -11.662 1.00 0.56 H new ATOM 0 HB2 LYS A 65 14.813 -5.883 -11.939 1.00 0.66 H new ATOM 0 HB3 LYS A 65 14.366 -5.029 -13.403 1.00 0.66 H new ATOM 0 HG2 LYS A 65 16.717 -4.309 -11.604 1.00 0.79 H new ATOM 0 HG3 LYS A 65 16.835 -5.194 -13.112 1.00 0.79 H new ATOM 0 HD2 LYS A 65 16.109 -3.306 -14.406 1.00 0.86 H new ATOM 0 HD3 LYS A 65 15.526 -2.455 -12.989 1.00 0.86 H new ATOM 0 HE2 LYS A 65 17.961 -2.428 -12.167 1.00 1.57 H new ATOM 0 HE3 LYS A 65 18.411 -2.986 -13.767 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 18.523 -0.563 -13.544 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 17.407 -1.030 -14.737 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 16.857 -0.505 -13.218 1.00 2.49 H new ATOM 1036 N LYS A 66 11.629 -4.629 -11.791 1.00 0.50 N ATOM 1037 CA LYS A 66 10.239 -4.426 -12.222 1.00 0.52 C ATOM 1038 C LYS A 66 9.741 -3.079 -11.755 1.00 0.48 C ATOM 1039 O LYS A 66 9.179 -2.293 -12.516 1.00 0.55 O ATOM 1040 CB LYS A 66 9.291 -5.484 -11.663 1.00 0.55 C ATOM 1041 CG LYS A 66 9.734 -6.105 -10.360 1.00 0.91 C ATOM 1042 CD LYS A 66 8.723 -7.118 -9.840 1.00 0.96 C ATOM 1043 CE LYS A 66 7.491 -6.439 -9.262 1.00 0.73 C ATOM 1044 NZ LYS A 66 6.400 -7.410 -8.990 1.00 1.47 N ATOM 0 H LYS A 66 11.784 -5.442 -11.194 1.00 0.50 H new ATOM 0 HA LYS A 66 10.244 -4.494 -13.310 1.00 0.52 H new ATOM 0 HB2 LYS A 66 8.309 -5.033 -11.519 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.173 -6.274 -12.404 1.00 0.55 H new ATOM 0 HG2 LYS A 66 10.698 -6.594 -10.500 1.00 0.91 H new ATOM 0 HG3 LYS A 66 9.879 -5.322 -9.616 1.00 0.91 H new ATOM 0 HD2 LYS A 66 8.425 -7.783 -10.650 1.00 0.96 H new ATOM 0 HD3 LYS A 66 9.190 -7.738 -9.074 1.00 0.96 H new ATOM 0 HE2 LYS A 66 7.759 -5.926 -8.338 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.135 -5.679 -9.958 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 5.578 -6.908 -8.597 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 6.126 -7.882 -9.876 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 6.730 -8.121 -8.307 1.00 1.47 H new ATOM 1058 N LEU A 67 9.962 -2.844 -10.485 1.00 0.41 N ATOM 1059 CA LEU A 67 9.516 -1.647 -9.822 1.00 0.39 C ATOM 1060 C LEU A 67 10.279 -0.443 -10.339 1.00 0.40 C ATOM 1061 O LEU A 67 9.730 0.643 -10.469 1.00 0.46 O ATOM 1062 CB LEU A 67 9.772 -1.816 -8.350 1.00 0.34 C ATOM 1063 CG LEU A 67 9.160 -3.071 -7.717 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.610 -3.218 -6.277 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.643 -3.049 -7.808 1.00 0.37 C ATOM 0 H LEU A 67 10.464 -3.489 -9.875 1.00 0.41 H new ATOM 0 HA LEU A 67 8.455 -1.485 -10.013 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.849 -1.835 -8.185 1.00 0.34 H new ATOM 0 HB3 LEU A 67 9.385 -0.941 -7.828 1.00 0.34 H new ATOM 0 HG LEU A 67 9.515 -3.936 -8.278 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.164 -4.115 -5.846 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.696 -3.300 -6.242 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.293 -2.345 -5.706 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.238 -3.952 -7.351 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.260 -2.173 -7.284 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.342 -3.006 -8.855 1.00 0.37 H new ATOM 1077 N ASP A 68 11.562 -0.645 -10.626 1.00 0.40 N ATOM 1078 CA ASP A 68 12.387 0.392 -11.231 1.00 0.42 C ATOM 1079 C ASP A 68 11.990 0.519 -12.689 1.00 0.52 C ATOM 1080 O ASP A 68 12.765 0.296 -13.620 1.00 0.56 O ATOM 1081 CB ASP A 68 13.878 0.072 -11.068 1.00 0.43 C ATOM 1082 CG ASP A 68 14.799 1.037 -11.795 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.610 2.266 -11.668 1.00 1.23 O ATOM 1084 OD2 ASP A 68 15.732 0.566 -12.490 1.00 1.13 O ATOM 0 H ASP A 68 12.053 -1.521 -10.448 1.00 0.40 H new ATOM 0 HA ASP A 68 12.223 1.346 -10.730 1.00 0.42 H new ATOM 0 HB2 ASP A 68 14.127 0.078 -10.007 1.00 0.43 H new ATOM 0 HB3 ASP A 68 14.065 -0.938 -11.433 1.00 0.43 H new ATOM 1089 N THR A 69 10.735 0.849 -12.849 1.00 0.59 N ATOM 1090 CA THR A 69 10.083 0.905 -14.127 1.00 0.74 C ATOM 1091 C THR A 69 10.563 2.116 -14.917 1.00 0.84 C ATOM 1092 O THR A 69 10.391 2.200 -16.130 1.00 0.99 O ATOM 1093 CB THR A 69 8.565 0.955 -13.896 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.858 0.566 -15.081 1.00 0.90 O ATOM 1095 CG2 THR A 69 8.139 2.353 -13.483 1.00 0.83 C ATOM 0 H THR A 69 10.123 1.093 -12.070 1.00 0.59 H new ATOM 0 HA THR A 69 10.329 0.020 -14.713 1.00 0.74 H new ATOM 0 HB THR A 69 8.322 0.255 -13.096 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.893 0.603 -14.913 1.00 0.90 H new ATOM 0 HG21 THR A 69 7.061 2.372 -13.323 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.648 2.631 -12.560 1.00 0.83 H new ATOM 0 HG23 THR A 69 8.402 3.061 -14.269 1.00 0.83 H new ATOM 1103 N ASN A 70 11.184 3.046 -14.208 1.00 0.80 N ATOM 1104 CA ASN A 70 11.763 4.225 -14.824 1.00 0.94 C ATOM 1105 C ASN A 70 13.194 3.918 -15.231 1.00 0.86 C ATOM 1106 O ASN A 70 13.826 4.653 -15.992 1.00 0.97 O ATOM 1107 CB ASN A 70 11.726 5.384 -13.832 1.00 1.01 C ATOM 1108 CG ASN A 70 11.815 6.753 -14.488 1.00 1.25 C ATOM 1109 OD1 ASN A 70 11.213 7.745 -13.855 1.00 1.46 O flip ATOM 1110 ND2 ASN A 70 12.407 6.922 -15.552 1.00 1.66 N flip ATOM 0 H ASN A 70 11.299 3.004 -13.195 1.00 0.80 H new ATOM 0 HA ASN A 70 11.193 4.505 -15.710 1.00 0.94 H new ATOM 0 HB2 ASN A 70 10.803 5.327 -13.254 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.550 5.274 -13.127 1.00 1.01 H new ATOM 0 HD21 ASN A 70 12.861 6.134 -16.014 1.00 1.66 H new ATOM 0 HD22 ASN A 70 12.444 7.850 -15.973 1.00 1.66 H new ATOM 1117 N SER A 71 13.681 2.796 -14.702 1.00 0.70 N ATOM 1118 CA SER A 71 15.015 2.295 -14.984 1.00 0.66 C ATOM 1119 C SER A 71 16.073 3.307 -14.568 1.00 0.61 C ATOM 1120 O SER A 71 17.088 3.488 -15.242 1.00 0.65 O ATOM 1121 CB SER A 71 15.137 1.932 -16.465 1.00 0.82 C ATOM 1122 OG SER A 71 14.122 1.006 -16.832 1.00 1.47 O ATOM 0 H SER A 71 13.151 2.207 -14.060 1.00 0.70 H new ATOM 0 HA SER A 71 15.183 1.391 -14.398 1.00 0.66 H new ATOM 0 HB2 SER A 71 15.055 2.832 -17.075 1.00 0.82 H new ATOM 0 HB3 SER A 71 16.119 1.502 -16.661 1.00 0.82 H new ATOM 0 HG SER A 71 14.210 0.783 -17.782 1.00 1.47 H new ATOM 1128 N ASP A 72 15.831 3.935 -13.429 1.00 0.58 N ATOM 1129 CA ASP A 72 16.723 4.952 -12.904 1.00 0.65 C ATOM 1130 C ASP A 72 17.619 4.336 -11.846 1.00 0.56 C ATOM 1131 O ASP A 72 18.666 4.881 -11.495 1.00 0.66 O ATOM 1132 CB ASP A 72 15.911 6.102 -12.304 1.00 0.80 C ATOM 1133 CG ASP A 72 16.776 7.270 -11.880 1.00 0.93 C ATOM 1134 OD1 ASP A 72 17.188 8.056 -12.761 1.00 1.53 O ATOM 1135 OD2 ASP A 72 17.035 7.423 -10.670 1.00 1.56 O ATOM 0 H ASP A 72 15.014 3.754 -12.846 1.00 0.58 H new ATOM 0 HA ASP A 72 17.339 5.347 -13.712 1.00 0.65 H new ATOM 0 HB2 ASP A 72 15.179 6.444 -13.035 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.353 5.736 -11.442 1.00 0.80 H new ATOM 1140 N GLY A 73 17.200 3.182 -11.353 1.00 0.45 N ATOM 1141 CA GLY A 73 17.972 2.478 -10.358 1.00 0.46 C ATOM 1142 C GLY A 73 17.434 2.708 -8.966 1.00 0.41 C ATOM 1143 O GLY A 73 18.037 2.294 -7.974 1.00 0.44 O ATOM 0 H GLY A 73 16.333 2.720 -11.628 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.964 1.411 -10.579 1.00 0.46 H new ATOM 0 HA3 GLY A 73 19.011 2.805 -10.405 1.00 0.46 H new ATOM 1147 N GLN A 74 16.289 3.372 -8.897 1.00 0.38 N ATOM 1148 CA GLN A 74 15.650 3.679 -7.634 1.00 0.37 C ATOM 1149 C GLN A 74 14.155 3.479 -7.766 1.00 0.36 C ATOM 1150 O GLN A 74 13.609 3.533 -8.868 1.00 0.39 O ATOM 1151 CB GLN A 74 15.915 5.124 -7.213 1.00 0.38 C ATOM 1152 CG GLN A 74 17.376 5.536 -7.286 1.00 0.42 C ATOM 1153 CD GLN A 74 17.637 6.917 -6.719 1.00 0.50 C ATOM 1154 OE1 GLN A 74 16.796 7.811 -6.798 1.00 1.03 O ATOM 1155 NE2 GLN A 74 18.810 7.098 -6.138 1.00 1.25 N ATOM 0 H GLN A 74 15.781 3.710 -9.715 1.00 0.38 H new ATOM 0 HA GLN A 74 16.063 3.013 -6.877 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.329 5.789 -7.848 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.560 5.264 -6.192 1.00 0.38 H new ATOM 0 HG2 GLN A 74 17.979 4.808 -6.744 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.703 5.510 -8.326 1.00 0.42 H new ATOM 0 HE21 GLN A 74 19.481 6.331 -6.093 1.00 1.25 H new ATOM 0 HE22 GLN A 74 19.045 8.005 -5.735 1.00 1.25 H new ATOM 1164 N LEU A 75 13.500 3.268 -6.647 1.00 0.33 N ATOM 1165 CA LEU A 75 12.065 3.072 -6.639 1.00 0.32 C ATOM 1166 C LEU A 75 11.382 4.269 -6.052 1.00 0.32 C ATOM 1167 O LEU A 75 11.616 4.635 -4.901 1.00 0.32 O ATOM 1168 CB LEU A 75 11.684 1.824 -5.864 1.00 0.31 C ATOM 1169 CG LEU A 75 12.394 0.569 -6.351 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.786 -0.667 -5.742 1.00 0.35 C ATOM 1171 CD2 LEU A 75 12.341 0.500 -7.862 1.00 0.35 C ATOM 0 H LEU A 75 13.938 3.227 -5.727 1.00 0.33 H new ATOM 0 HA LEU A 75 11.739 2.943 -7.671 1.00 0.32 H new ATOM 0 HB2 LEU A 75 11.914 1.976 -4.809 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.607 1.675 -5.937 1.00 0.31 H new ATOM 0 HG LEU A 75 13.436 0.617 -6.036 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.312 -1.549 -6.107 1.00 0.35 H new ATOM 0 HD12 LEU A 75 11.871 -0.617 -4.656 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.734 -0.731 -6.021 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.851 -0.401 -8.203 1.00 0.35 H new ATOM 0 HD22 LEU A 75 11.301 0.474 -8.189 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.832 1.377 -8.284 1.00 0.35 H new ATOM 1183 N ASP A 76 10.547 4.880 -6.849 1.00 0.35 N ATOM 1184 CA ASP A 76 9.886 6.096 -6.442 1.00 0.36 C ATOM 1185 C ASP A 76 8.648 5.780 -5.634 1.00 0.33 C ATOM 1186 O ASP A 76 8.323 4.614 -5.404 1.00 0.32 O ATOM 1187 CB ASP A 76 9.560 6.960 -7.663 1.00 0.44 C ATOM 1188 CG ASP A 76 8.108 6.879 -8.113 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.663 5.795 -8.537 1.00 1.45 O ATOM 1190 OD2 ASP A 76 7.403 7.910 -8.037 1.00 1.68 O ATOM 0 H ASP A 76 10.306 4.557 -7.786 1.00 0.35 H new ATOM 0 HA ASP A 76 10.559 6.668 -5.803 1.00 0.36 H new ATOM 0 HB2 ASP A 76 9.801 7.998 -7.435 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.203 6.658 -8.490 1.00 0.44 H new ATOM 1195 N PHE A 77 7.997 6.839 -5.198 1.00 0.41 N ATOM 1196 CA PHE A 77 6.762 6.772 -4.442 1.00 0.49 C ATOM 1197 C PHE A 77 5.835 5.655 -4.929 1.00 0.39 C ATOM 1198 O PHE A 77 5.492 4.751 -4.173 1.00 0.39 O ATOM 1199 CB PHE A 77 6.059 8.108 -4.612 1.00 0.72 C ATOM 1200 CG PHE A 77 6.593 9.229 -3.765 1.00 1.76 C ATOM 1201 CD1 PHE A 77 7.677 9.044 -2.921 1.00 2.66 C ATOM 1202 CD2 PHE A 77 5.999 10.479 -3.819 1.00 2.56 C ATOM 1203 CE1 PHE A 77 8.155 10.087 -2.153 1.00 3.77 C ATOM 1204 CE2 PHE A 77 6.473 11.522 -3.054 1.00 3.67 C ATOM 1205 CZ PHE A 77 7.552 11.325 -2.220 1.00 4.15 C ATOM 0 H PHE A 77 8.319 7.793 -5.363 1.00 0.41 H new ATOM 0 HA PHE A 77 6.999 6.557 -3.400 1.00 0.49 H new ATOM 0 HB2 PHE A 77 6.124 8.403 -5.659 1.00 0.72 H new ATOM 0 HB3 PHE A 77 5.001 7.975 -4.384 1.00 0.72 H new ATOM 0 HD1 PHE A 77 8.152 8.076 -2.864 1.00 2.66 H new ATOM 0 HD2 PHE A 77 5.152 10.638 -4.470 1.00 2.56 H new ATOM 0 HE1 PHE A 77 9.001 9.933 -1.500 1.00 3.77 H new ATOM 0 HE2 PHE A 77 6.000 12.491 -3.108 1.00 3.67 H new ATOM 0 HZ PHE A 77 7.925 12.141 -1.619 1.00 4.15 H new ATOM 1215 N SER A 78 5.468 5.709 -6.199 1.00 0.39 N ATOM 1216 CA SER A 78 4.506 4.777 -6.761 1.00 0.38 C ATOM 1217 C SER A 78 5.110 3.406 -7.050 1.00 0.38 C ATOM 1218 O SER A 78 4.381 2.426 -7.158 1.00 0.44 O ATOM 1219 CB SER A 78 3.904 5.364 -8.037 1.00 0.45 C ATOM 1220 OG SER A 78 4.901 5.972 -8.840 1.00 1.31 O ATOM 0 H SER A 78 5.826 6.395 -6.864 1.00 0.39 H new ATOM 0 HA SER A 78 3.727 4.628 -6.013 1.00 0.38 H new ATOM 0 HB2 SER A 78 3.407 4.577 -8.604 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.143 6.100 -7.778 1.00 0.45 H new ATOM 0 HG SER A 78 5.780 5.612 -8.599 1.00 1.31 H new ATOM 1226 N GLU A 79 6.426 3.323 -7.178 1.00 0.36 N ATOM 1227 CA GLU A 79 7.061 2.050 -7.498 1.00 0.42 C ATOM 1228 C GLU A 79 7.364 1.254 -6.236 1.00 0.33 C ATOM 1229 O GLU A 79 7.327 0.024 -6.240 1.00 0.33 O ATOM 1230 CB GLU A 79 8.312 2.263 -8.337 1.00 0.51 C ATOM 1231 CG GLU A 79 8.023 2.945 -9.668 1.00 0.64 C ATOM 1232 CD GLU A 79 6.728 2.468 -10.312 1.00 1.81 C ATOM 1233 OE1 GLU A 79 6.620 1.274 -10.666 1.00 2.57 O ATOM 1234 OE2 GLU A 79 5.806 3.298 -10.478 1.00 2.54 O ATOM 0 H GLU A 79 7.068 4.108 -7.068 1.00 0.36 H new ATOM 0 HA GLU A 79 6.360 1.464 -8.092 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.024 2.865 -7.773 1.00 0.51 H new ATOM 0 HB3 GLU A 79 8.787 1.300 -8.523 1.00 0.51 H new ATOM 0 HG2 GLU A 79 7.970 4.023 -9.514 1.00 0.64 H new ATOM 0 HG3 GLU A 79 8.852 2.761 -10.352 1.00 0.64 H new ATOM 1241 N PHE A 80 7.647 1.959 -5.152 1.00 0.28 N ATOM 1242 CA PHE A 80 7.715 1.337 -3.837 1.00 0.25 C ATOM 1243 C PHE A 80 6.350 0.768 -3.495 1.00 0.23 C ATOM 1244 O PHE A 80 6.221 -0.329 -2.957 1.00 0.26 O ATOM 1245 CB PHE A 80 8.128 2.378 -2.794 1.00 0.31 C ATOM 1246 CG PHE A 80 7.944 1.946 -1.366 1.00 0.71 C ATOM 1247 CD1 PHE A 80 8.617 0.849 -0.860 1.00 1.60 C ATOM 1248 CD2 PHE A 80 7.097 2.652 -0.526 1.00 1.26 C ATOM 1249 CE1 PHE A 80 8.448 0.463 0.454 1.00 1.98 C ATOM 1250 CE2 PHE A 80 6.927 2.271 0.789 1.00 1.56 C ATOM 1251 CZ PHE A 80 7.605 1.176 1.280 1.00 1.64 C ATOM 0 H PHE A 80 7.833 2.962 -5.156 1.00 0.28 H new ATOM 0 HA PHE A 80 8.454 0.536 -3.841 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.176 2.632 -2.950 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.551 3.288 -2.961 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.282 0.288 -1.500 1.00 1.60 H new ATOM 0 HD2 PHE A 80 6.564 3.511 -0.906 1.00 1.26 H new ATOM 0 HE1 PHE A 80 8.976 -0.398 0.836 1.00 1.98 H new ATOM 0 HE2 PHE A 80 6.264 2.830 1.433 1.00 1.56 H new ATOM 0 HZ PHE A 80 7.476 0.877 2.310 1.00 1.64 H new ATOM 1261 N LEU A 81 5.330 1.527 -3.845 1.00 0.25 N ATOM 1262 CA LEU A 81 3.960 1.129 -3.609 1.00 0.26 C ATOM 1263 C LEU A 81 3.515 0.096 -4.622 1.00 0.26 C ATOM 1264 O LEU A 81 2.624 -0.705 -4.355 1.00 0.27 O ATOM 1265 CB LEU A 81 3.069 2.349 -3.669 1.00 0.29 C ATOM 1266 CG LEU A 81 3.393 3.403 -2.610 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.501 4.609 -2.783 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.276 2.815 -1.200 1.00 0.29 C ATOM 0 H LEU A 81 5.429 2.435 -4.300 1.00 0.25 H new ATOM 0 HA LEU A 81 3.887 0.676 -2.620 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.155 2.802 -4.657 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.032 2.036 -3.551 1.00 0.29 H new ATOM 0 HG LEU A 81 4.426 3.725 -2.743 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.742 5.352 -2.023 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.658 5.038 -3.772 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.458 4.308 -2.679 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.511 3.584 -0.464 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.259 2.457 -1.038 1.00 0.29 H new ATOM 0 HD23 LEU A 81 3.974 1.985 -1.093 1.00 0.29 H new ATOM 1280 N ASN A 82 4.139 0.128 -5.787 1.00 0.26 N ATOM 1281 CA ASN A 82 3.924 -0.896 -6.792 1.00 0.26 C ATOM 1282 C ASN A 82 4.289 -2.242 -6.187 1.00 0.23 C ATOM 1283 O ASN A 82 3.600 -3.251 -6.365 1.00 0.25 O ATOM 1284 CB ASN A 82 4.807 -0.635 -8.020 1.00 0.30 C ATOM 1285 CG ASN A 82 4.336 -1.354 -9.269 1.00 0.79 C ATOM 1286 OD1 ASN A 82 3.659 -2.381 -9.201 1.00 1.51 O ATOM 1287 ND2 ASN A 82 4.721 -0.834 -10.423 1.00 1.42 N ATOM 0 H ASN A 82 4.800 0.855 -6.060 1.00 0.26 H new ATOM 0 HA ASN A 82 2.880 -0.886 -7.107 1.00 0.26 H new ATOM 0 HB2 ASN A 82 4.835 0.437 -8.216 1.00 0.30 H new ATOM 0 HB3 ASN A 82 5.828 -0.944 -7.796 1.00 0.30 H new ATOM 0 HD21 ASN A 82 4.458 -1.285 -11.299 1.00 1.42 H new ATOM 0 HD22 ASN A 82 5.281 0.018 -10.437 1.00 1.42 H new ATOM 1294 N LEU A 83 5.391 -2.225 -5.458 1.00 0.23 N ATOM 1295 CA LEU A 83 5.840 -3.371 -4.705 1.00 0.24 C ATOM 1296 C LEU A 83 4.820 -3.770 -3.660 1.00 0.23 C ATOM 1297 O LEU A 83 4.443 -4.934 -3.571 1.00 0.25 O ATOM 1298 CB LEU A 83 7.142 -3.057 -4.006 1.00 0.27 C ATOM 1299 CG LEU A 83 7.493 -4.041 -2.909 1.00 0.31 C ATOM 1300 CD1 LEU A 83 7.840 -5.403 -3.494 1.00 0.35 C ATOM 1301 CD2 LEU A 83 8.617 -3.505 -2.061 1.00 0.36 C ATOM 0 H LEU A 83 5.999 -1.410 -5.375 1.00 0.23 H new ATOM 0 HA LEU A 83 5.977 -4.193 -5.408 1.00 0.24 H new ATOM 0 HB2 LEU A 83 7.946 -3.044 -4.742 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.084 -2.056 -3.580 1.00 0.27 H new ATOM 0 HG LEU A 83 6.621 -4.171 -2.268 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.089 -6.093 -2.687 1.00 0.35 H new ATOM 0 HD12 LEU A 83 6.986 -5.788 -4.051 1.00 0.35 H new ATOM 0 HD13 LEU A 83 8.695 -5.304 -4.163 1.00 0.35 H new ATOM 0 HD21 LEU A 83 8.857 -4.224 -1.278 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.496 -3.340 -2.684 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.312 -2.562 -1.607 1.00 0.36 H new ATOM 1313 N ILE A 84 4.404 -2.799 -2.853 1.00 0.24 N ATOM 1314 CA ILE A 84 3.384 -3.024 -1.841 1.00 0.26 C ATOM 1315 C ILE A 84 2.155 -3.671 -2.471 1.00 0.27 C ATOM 1316 O ILE A 84 1.481 -4.490 -1.845 1.00 0.29 O ATOM 1317 CB ILE A 84 3.025 -1.700 -1.122 1.00 0.29 C ATOM 1318 CG1 ILE A 84 3.864 -1.539 0.150 1.00 0.55 C ATOM 1319 CG2 ILE A 84 1.539 -1.611 -0.787 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.354 -1.456 -0.097 1.00 0.62 C ATOM 0 H ILE A 84 4.762 -1.844 -2.883 1.00 0.24 H new ATOM 0 HA ILE A 84 3.777 -3.707 -1.088 1.00 0.26 H new ATOM 0 HB ILE A 84 3.254 -0.887 -1.811 1.00 0.29 H new ATOM 0 HG12 ILE A 84 3.543 -0.638 0.672 1.00 0.55 H new ATOM 0 HG13 ILE A 84 3.663 -2.380 0.813 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.335 -0.666 -0.284 1.00 0.47 H new ATOM 0 HG22 ILE A 84 0.955 -1.666 -1.706 1.00 0.47 H new ATOM 0 HG23 ILE A 84 1.264 -2.437 -0.132 1.00 0.47 H new ATOM 0 HD11 ILE A 84 5.875 -1.343 0.854 1.00 0.62 H new ATOM 0 HD12 ILE A 84 5.692 -2.367 -0.590 1.00 0.62 H new ATOM 0 HD13 ILE A 84 5.570 -0.598 -0.733 1.00 0.62 H new ATOM 1332 N GLY A 85 1.899 -3.319 -3.726 1.00 0.26 N ATOM 1333 CA GLY A 85 0.877 -3.986 -4.498 1.00 0.29 C ATOM 1334 C GLY A 85 1.105 -5.484 -4.566 1.00 0.29 C ATOM 1335 O GLY A 85 0.250 -6.259 -4.151 1.00 0.33 O ATOM 0 H GLY A 85 2.389 -2.575 -4.223 1.00 0.26 H new ATOM 0 HA2 GLY A 85 -0.099 -3.787 -4.056 1.00 0.29 H new ATOM 0 HA3 GLY A 85 0.859 -3.576 -5.508 1.00 0.29 H new ATOM 1339 N GLY A 86 2.286 -5.895 -5.024 1.00 0.28 N ATOM 1340 CA GLY A 86 2.554 -7.312 -5.215 1.00 0.31 C ATOM 1341 C GLY A 86 2.709 -8.033 -3.895 1.00 0.29 C ATOM 1342 O GLY A 86 2.358 -9.205 -3.761 1.00 0.35 O ATOM 0 H GLY A 86 3.059 -5.275 -5.265 1.00 0.28 H new ATOM 0 HA2 GLY A 86 1.741 -7.763 -5.783 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.462 -7.435 -5.806 1.00 0.31 H new ATOM 1346 N LEU A 87 3.221 -7.304 -2.921 1.00 0.25 N ATOM 1347 CA LEU A 87 3.395 -7.808 -1.570 1.00 0.25 C ATOM 1348 C LEU A 87 2.049 -8.122 -0.950 1.00 0.26 C ATOM 1349 O LEU A 87 1.790 -9.244 -0.514 1.00 0.29 O ATOM 1350 CB LEU A 87 4.086 -6.755 -0.716 1.00 0.25 C ATOM 1351 CG LEU A 87 5.583 -6.573 -0.938 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.081 -5.398 -0.115 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.342 -7.835 -0.563 1.00 0.35 C ATOM 0 H LEU A 87 3.530 -6.340 -3.045 1.00 0.25 H new ATOM 0 HA LEU A 87 3.999 -8.714 -1.614 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.596 -5.797 -0.893 1.00 0.25 H new ATOM 0 HB3 LEU A 87 3.925 -7.007 0.332 1.00 0.25 H new ATOM 0 HG LEU A 87 5.758 -6.374 -1.995 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.152 -5.269 -0.275 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.557 -4.492 -0.420 1.00 0.26 H new ATOM 0 HD13 LEU A 87 5.892 -5.588 0.942 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.408 -7.681 -0.730 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.169 -8.065 0.488 1.00 0.35 H new ATOM 0 HD23 LEU A 87 5.994 -8.665 -1.178 1.00 0.35 H new ATOM 1365 N ALA A 88 1.192 -7.112 -0.922 1.00 0.25 N ATOM 1366 CA ALA A 88 -0.118 -7.237 -0.319 1.00 0.27 C ATOM 1367 C ALA A 88 -0.945 -8.274 -1.035 1.00 0.30 C ATOM 1368 O ALA A 88 -1.755 -8.965 -0.428 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.855 -5.921 -0.354 1.00 0.27 C ATOM 0 H ALA A 88 1.387 -6.191 -1.315 1.00 0.25 H new ATOM 0 HA ALA A 88 0.032 -7.543 0.716 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.836 -6.041 0.105 1.00 0.27 H new ATOM 0 HB2 ALA A 88 -0.287 -5.171 0.196 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.975 -5.599 -1.388 1.00 0.27 H new ATOM 1375 N MET A 89 -0.761 -8.362 -2.336 1.00 0.29 N ATOM 1376 CA MET A 89 -1.522 -9.298 -3.129 1.00 0.33 C ATOM 1377 C MET A 89 -1.176 -10.728 -2.756 1.00 0.34 C ATOM 1378 O MET A 89 -2.029 -11.606 -2.797 1.00 0.39 O ATOM 1379 CB MET A 89 -1.297 -9.055 -4.616 1.00 0.35 C ATOM 1380 CG MET A 89 -1.970 -7.790 -5.109 1.00 0.42 C ATOM 1381 SD MET A 89 -2.138 -7.738 -6.903 1.00 1.03 S ATOM 1382 CE MET A 89 -0.421 -7.713 -7.410 1.00 1.89 C ATOM 0 H MET A 89 -0.094 -7.798 -2.863 1.00 0.29 H new ATOM 0 HA MET A 89 -2.580 -9.141 -2.917 1.00 0.33 H new ATOM 0 HB2 MET A 89 -0.227 -8.993 -4.812 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.675 -9.907 -5.181 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.957 -7.709 -4.654 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.394 -6.926 -4.778 1.00 0.42 H new ATOM 0 HE1 MET A 89 -0.362 -7.573 -8.489 1.00 1.89 H new ATOM 0 HE2 MET A 89 0.094 -6.893 -6.909 1.00 1.89 H new ATOM 0 HE3 MET A 89 0.052 -8.657 -7.140 1.00 1.89 H new ATOM 1392 N ALA A 90 0.069 -10.941 -2.353 1.00 0.34 N ATOM 1393 CA ALA A 90 0.525 -12.256 -1.937 1.00 0.40 C ATOM 1394 C ALA A 90 -0.192 -12.706 -0.670 1.00 0.42 C ATOM 1395 O ALA A 90 -0.728 -13.813 -0.604 1.00 0.49 O ATOM 1396 CB ALA A 90 2.025 -12.237 -1.713 1.00 0.46 C ATOM 0 H ALA A 90 0.783 -10.214 -2.306 1.00 0.34 H new ATOM 0 HA ALA A 90 0.291 -12.968 -2.729 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.359 -13.227 -1.401 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.528 -11.960 -2.639 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.268 -11.511 -0.937 1.00 0.46 H new ATOM 1402 N CYS A 91 -0.215 -11.834 0.329 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.839 -12.151 1.606 1.00 0.47 C ATOM 1404 C CYS A 91 -2.362 -12.132 1.492 1.00 0.45 C ATOM 1405 O CYS A 91 -3.046 -12.932 2.123 1.00 0.51 O ATOM 1406 CB CYS A 91 -0.360 -11.173 2.676 1.00 0.55 C ATOM 1407 SG CYS A 91 -0.625 -9.442 2.251 1.00 1.76 S ATOM 0 H CYS A 91 0.192 -10.900 0.279 1.00 0.41 H new ATOM 0 HA CYS A 91 -0.544 -13.159 1.896 1.00 0.47 H new ATOM 0 HB2 CYS A 91 -0.876 -11.391 3.611 1.00 0.55 H new ATOM 0 HB3 CYS A 91 0.703 -11.335 2.853 1.00 0.55 H new ATOM 0 HG CYS A 91 -1.238 -9.365 1.107 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.893 -11.226 0.675 1.00 0.41 N ATOM 1414 CA HIS A 92 -4.327 -11.214 0.393 1.00 0.46 C ATOM 1415 C HIS A 92 -4.735 -12.534 -0.244 1.00 0.45 C ATOM 1416 O HIS A 92 -5.741 -13.134 0.128 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.703 -10.056 -0.538 1.00 0.54 C ATOM 1418 CG HIS A 92 -4.984 -8.757 0.155 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -4.013 -7.819 0.419 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.146 -8.227 0.605 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -4.561 -6.768 0.997 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -5.856 -6.989 1.122 1.00 2.62 N ATOM 0 H HIS A 92 -2.359 -10.498 0.201 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.856 -11.078 1.336 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -3.892 -9.903 -1.250 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -5.583 -10.342 -1.113 1.00 0.54 H new ATOM 0 HD1 HIS A 92 -3.022 -7.921 0.201 1.00 2.13 H new ATOM 0 HD2 HIS A 92 -7.120 -8.692 0.565 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -4.039 -5.878 1.314 1.00 2.74 H new ATOM 1431 N ASP A 93 -3.927 -12.980 -1.197 1.00 0.45 N ATOM 1432 CA ASP A 93 -4.139 -14.257 -1.865 1.00 0.52 C ATOM 1433 C ASP A 93 -4.054 -15.400 -0.863 1.00 0.56 C ATOM 1434 O ASP A 93 -4.829 -16.347 -0.923 1.00 0.65 O ATOM 1435 CB ASP A 93 -3.096 -14.438 -2.968 1.00 0.54 C ATOM 1436 CG ASP A 93 -3.166 -15.790 -3.644 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -3.914 -15.929 -4.634 1.00 1.48 O ATOM 1438 OD2 ASP A 93 -2.451 -16.715 -3.206 1.00 1.75 O ATOM 0 H ASP A 93 -3.109 -12.469 -1.528 1.00 0.45 H new ATOM 0 HA ASP A 93 -5.134 -14.265 -2.310 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -3.231 -13.658 -3.717 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -2.101 -14.303 -2.543 1.00 0.54 H new ATOM 1443 N SER A 94 -3.123 -15.279 0.073 1.00 0.54 N ATOM 1444 CA SER A 94 -2.953 -16.260 1.134 1.00 0.60 C ATOM 1445 C SER A 94 -4.258 -16.423 1.895 1.00 0.63 C ATOM 1446 O SER A 94 -4.723 -17.533 2.130 1.00 0.70 O ATOM 1447 CB SER A 94 -1.857 -15.799 2.094 1.00 0.65 C ATOM 1448 OG SER A 94 -1.539 -16.801 3.044 1.00 1.27 O ATOM 0 H SER A 94 -2.466 -14.500 0.118 1.00 0.54 H new ATOM 0 HA SER A 94 -2.669 -17.216 0.694 1.00 0.60 H new ATOM 0 HB2 SER A 94 -0.963 -15.537 1.528 1.00 0.65 H new ATOM 0 HB3 SER A 94 -2.182 -14.896 2.612 1.00 0.65 H new ATOM 0 HG SER A 94 -0.834 -16.474 3.641 1.00 1.27 H new ATOM 1454 N PHE A 95 -4.851 -15.294 2.245 1.00 0.60 N ATOM 1455 CA PHE A 95 -6.096 -15.267 2.992 1.00 0.66 C ATOM 1456 C PHE A 95 -7.232 -15.863 2.179 1.00 0.72 C ATOM 1457 O PHE A 95 -8.039 -16.620 2.694 1.00 0.84 O ATOM 1458 CB PHE A 95 -6.428 -13.834 3.391 1.00 0.64 C ATOM 1459 CG PHE A 95 -5.787 -13.403 4.680 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -4.428 -13.148 4.746 1.00 1.80 C ATOM 1461 CD2 PHE A 95 -6.546 -13.261 5.829 1.00 1.30 C ATOM 1462 CE1 PHE A 95 -3.838 -12.755 5.931 1.00 2.35 C ATOM 1463 CE2 PHE A 95 -5.961 -12.868 7.018 1.00 1.76 C ATOM 1464 CZ PHE A 95 -4.606 -12.615 7.069 1.00 2.08 C ATOM 0 H PHE A 95 -4.482 -14.370 2.019 1.00 0.60 H new ATOM 0 HA PHE A 95 -5.972 -15.871 3.891 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -6.110 -13.161 2.594 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -7.509 -13.732 3.481 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -3.821 -13.258 3.859 1.00 1.80 H new ATOM 0 HD2 PHE A 95 -7.607 -13.460 5.796 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -2.777 -12.557 5.967 1.00 2.35 H new ATOM 0 HE2 PHE A 95 -6.565 -12.759 7.907 1.00 1.76 H new ATOM 0 HZ PHE A 95 -4.147 -12.308 7.997 1.00 2.08 H new ATOM 1737 N PRO B 7 6.084 -8.775 12.391 1.00 0.70 N ATOM 1738 CA PRO B 7 5.841 -7.995 11.181 1.00 0.54 C ATOM 1739 C PRO B 7 6.677 -6.726 11.153 1.00 0.45 C ATOM 1740 O PRO B 7 7.310 -6.354 12.143 1.00 0.57 O ATOM 1741 CB PRO B 7 4.363 -7.647 11.301 1.00 0.62 C ATOM 1742 CG PRO B 7 4.174 -7.485 12.763 1.00 0.75 C ATOM 1743 CD PRO B 7 5.012 -8.570 13.389 1.00 0.82 C ATOM 0 HA PRO B 7 6.101 -8.536 10.271 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.119 -6.733 10.759 1.00 0.62 H new ATOM 0 HB3 PRO B 7 3.729 -8.436 10.897 1.00 0.62 H new ATOM 0 HG2 PRO B 7 4.495 -6.498 13.095 1.00 0.75 H new ATOM 0 HG3 PRO B 7 3.125 -7.589 13.039 1.00 0.75 H new ATOM 0 HD2 PRO B 7 5.413 -8.264 14.356 1.00 0.82 H new ATOM 0 HD3 PRO B 7 4.436 -9.480 13.556 1.00 0.82 H new ATOM 1751 N THR B 8 6.657 -6.059 10.025 1.00 0.34 N ATOM 1752 CA THR B 8 7.424 -4.849 9.841 1.00 0.27 C ATOM 1753 C THR B 8 6.511 -3.698 9.502 1.00 0.28 C ATOM 1754 O THR B 8 5.321 -3.904 9.314 1.00 0.34 O ATOM 1755 CB THR B 8 8.427 -5.007 8.712 1.00 0.29 C ATOM 1756 OG1 THR B 8 7.717 -5.266 7.499 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.397 -6.138 9.003 1.00 0.33 C ATOM 0 H THR B 8 6.111 -6.338 9.210 1.00 0.34 H new ATOM 0 HA THR B 8 7.952 -4.651 10.774 1.00 0.27 H new ATOM 0 HB THR B 8 9.006 -4.089 8.615 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.201 -5.937 6.974 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.105 -6.231 8.180 1.00 0.33 H new ATOM 0 HG22 THR B 8 9.938 -5.925 9.925 1.00 0.33 H new ATOM 0 HG23 THR B 8 8.845 -7.071 9.114 1.00 0.33 H new ATOM 1765 N GLU B 9 7.074 -2.515 9.370 1.00 0.28 N ATOM 1766 CA GLU B 9 6.301 -1.306 9.142 1.00 0.33 C ATOM 1767 C GLU B 9 5.459 -1.408 7.873 1.00 0.36 C ATOM 1768 O GLU B 9 4.267 -1.094 7.872 1.00 0.52 O ATOM 1769 CB GLU B 9 7.255 -0.129 9.054 1.00 0.40 C ATOM 1770 CG GLU B 9 6.578 1.217 9.012 1.00 0.56 C ATOM 1771 CD GLU B 9 7.485 2.291 9.564 1.00 1.73 C ATOM 1772 OE1 GLU B 9 8.613 2.452 9.045 1.00 2.48 O ATOM 1773 OE2 GLU B 9 7.100 2.944 10.556 1.00 2.47 O ATOM 0 H GLU B 9 8.081 -2.362 9.417 1.00 0.28 H new ATOM 0 HA GLU B 9 5.610 -1.166 9.973 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.928 -0.157 9.911 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.870 -0.241 8.161 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.303 1.459 7.985 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.654 1.183 9.590 1.00 0.56 H new ATOM 1780 N THR B 10 6.071 -1.876 6.803 1.00 0.26 N ATOM 1781 CA THR B 10 5.369 -2.019 5.541 1.00 0.27 C ATOM 1782 C THR B 10 4.489 -3.251 5.565 1.00 0.27 C ATOM 1783 O THR B 10 3.390 -3.241 5.030 1.00 0.31 O ATOM 1784 CB THR B 10 6.340 -2.087 4.341 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.701 -2.682 3.203 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.593 -2.866 4.707 1.00 0.26 C ATOM 0 H THR B 10 7.050 -2.163 6.781 1.00 0.26 H new ATOM 0 HA THR B 10 4.748 -1.132 5.414 1.00 0.27 H new ATOM 0 HB THR B 10 6.628 -1.068 4.083 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.369 -2.861 2.509 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.263 -2.902 3.848 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.096 -2.375 5.540 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.319 -3.881 4.996 1.00 0.26 H new ATOM 1794 N GLU B 11 4.955 -4.296 6.217 1.00 0.24 N ATOM 1795 CA GLU B 11 4.215 -5.539 6.258 1.00 0.27 C ATOM 1796 C GLU B 11 2.956 -5.423 7.103 1.00 0.30 C ATOM 1797 O GLU B 11 1.905 -5.946 6.743 1.00 0.32 O ATOM 1798 CB GLU B 11 5.122 -6.643 6.747 1.00 0.29 C ATOM 1799 CG GLU B 11 5.856 -7.327 5.622 1.00 0.41 C ATOM 1800 CD GLU B 11 5.147 -8.578 5.160 1.00 1.11 C ATOM 1801 OE1 GLU B 11 4.100 -8.463 4.495 1.00 1.85 O ATOM 1802 OE2 GLU B 11 5.627 -9.683 5.478 1.00 1.71 O ATOM 0 H GLU B 11 5.840 -4.309 6.724 1.00 0.24 H new ATOM 0 HA GLU B 11 3.879 -5.781 5.250 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.845 -6.230 7.450 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.532 -7.379 7.292 1.00 0.29 H new ATOM 0 HG2 GLU B 11 5.958 -6.638 4.784 1.00 0.41 H new ATOM 0 HG3 GLU B 11 6.864 -7.582 5.949 1.00 0.41 H new ATOM 1809 N ARG B 12 3.054 -4.704 8.207 1.00 0.35 N ATOM 1810 CA ARG B 12 1.893 -4.446 9.048 1.00 0.42 C ATOM 1811 C ARG B 12 0.936 -3.519 8.312 1.00 0.43 C ATOM 1812 O ARG B 12 -0.281 -3.629 8.439 1.00 0.47 O ATOM 1813 CB ARG B 12 2.312 -3.855 10.403 1.00 0.48 C ATOM 1814 CG ARG B 12 3.088 -2.550 10.311 1.00 0.49 C ATOM 1815 CD ARG B 12 2.175 -1.344 10.274 1.00 0.56 C ATOM 1816 NE ARG B 12 1.659 -1.043 11.609 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.797 0.134 12.221 1.00 1.34 C ATOM 1818 NH1 ARG B 12 2.263 1.190 11.568 1.00 1.86 N ATOM 1819 NH2 ARG B 12 1.447 0.259 13.493 1.00 1.95 N ATOM 0 H ARG B 12 3.922 -4.288 8.544 1.00 0.35 H new ATOM 0 HA ARG B 12 1.384 -5.388 9.254 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.418 -3.690 11.005 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.921 -4.588 10.932 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.761 -2.468 11.165 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.709 -2.561 9.415 1.00 0.49 H new ATOM 0 HD2 ARG B 12 2.719 -0.482 9.886 1.00 0.56 H new ATOM 0 HD3 ARG B 12 1.345 -1.531 9.592 1.00 0.56 H new ATOM 0 HE ARG B 12 1.161 -1.782 12.105 1.00 1.08 H new ATOM 0 HH11 ARG B 12 2.521 1.108 10.585 1.00 1.86 H new ATOM 0 HH12 ARG B 12 2.363 2.084 12.049 1.00 1.86 H new ATOM 0 HH21 ARG B 12 1.074 -0.543 14.000 1.00 1.95 H new ATOM 0 HH22 ARG B 12 1.551 1.157 13.965 1.00 1.95 H new ATOM 1833 N CYS B 13 1.510 -2.615 7.524 1.00 0.42 N ATOM 1834 CA CYS B 13 0.739 -1.738 6.660 1.00 0.44 C ATOM 1835 C CYS B 13 -0.071 -2.577 5.694 1.00 0.30 C ATOM 1836 O CYS B 13 -1.248 -2.325 5.443 1.00 0.29 O ATOM 1837 CB CYS B 13 1.692 -0.815 5.883 1.00 0.57 C ATOM 1838 SG CYS B 13 1.501 -0.892 4.088 1.00 2.16 S ATOM 0 H CYS B 13 2.519 -2.473 7.469 1.00 0.42 H new ATOM 0 HA CYS B 13 0.065 -1.128 7.261 1.00 0.44 H new ATOM 0 HB2 CYS B 13 1.531 0.212 6.210 1.00 0.57 H new ATOM 0 HB3 CYS B 13 2.719 -1.074 6.139 1.00 0.57 H new ATOM 0 HG CYS B 13 0.431 -0.243 3.737 1.00 2.16 H new ATOM 1844 N ILE B 14 0.579 -3.598 5.191 1.00 0.26 N ATOM 1845 CA ILE B 14 0.009 -4.471 4.203 1.00 0.24 C ATOM 1846 C ILE B 14 -1.100 -5.337 4.789 1.00 0.21 C ATOM 1847 O ILE B 14 -2.116 -5.589 4.136 1.00 0.23 O ATOM 1848 CB ILE B 14 1.119 -5.342 3.605 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.044 -4.488 2.741 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.544 -6.488 2.806 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.288 -5.223 2.317 1.00 0.27 C ATOM 0 H ILE B 14 1.531 -3.846 5.462 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.443 -3.863 3.419 1.00 0.24 H new ATOM 0 HB ILE B 14 1.698 -5.770 4.423 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.503 -4.157 1.855 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.327 -3.593 3.295 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.356 -7.088 2.394 1.00 0.27 H new ATOM 0 HG22 ILE B 14 -0.074 -7.109 3.454 1.00 0.27 H new ATOM 0 HG23 ILE B 14 -0.065 -6.095 1.992 1.00 0.27 H new ATOM 0 HD11 ILE B 14 3.908 -4.567 1.705 1.00 0.27 H new ATOM 0 HD12 ILE B 14 3.848 -5.531 3.200 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.011 -6.104 1.738 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.928 -5.757 6.032 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.919 -6.589 6.683 1.00 0.28 C ATOM 1865 C GLU B 15 -3.063 -5.722 7.156 1.00 0.30 C ATOM 1866 O GLU B 15 -4.171 -6.200 7.391 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.306 -7.364 7.842 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.152 -8.255 7.416 1.00 0.32 C ATOM 1869 CD GLU B 15 0.417 -9.064 8.559 1.00 0.38 C ATOM 1870 OE1 GLU B 15 1.278 -8.539 9.295 1.00 1.25 O ATOM 1871 OE2 GLU B 15 0.009 -10.232 8.730 1.00 1.06 O ATOM 0 H GLU B 15 -0.114 -5.535 6.606 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.296 -7.320 5.968 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -0.955 -6.660 8.597 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.077 -7.976 8.310 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.492 -8.932 6.632 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.637 -7.639 6.985 1.00 0.32 H new ATOM 1878 N SER B 16 -2.789 -4.432 7.272 1.00 0.31 N ATOM 1879 CA SER B 16 -3.837 -3.472 7.525 1.00 0.37 C ATOM 1880 C SER B 16 -4.718 -3.377 6.297 1.00 0.28 C ATOM 1881 O SER B 16 -5.937 -3.352 6.397 1.00 0.28 O ATOM 1882 CB SER B 16 -3.260 -2.099 7.868 1.00 0.54 C ATOM 1883 OG SER B 16 -2.424 -2.160 9.007 1.00 0.97 O ATOM 0 H SER B 16 -1.853 -4.033 7.195 1.00 0.31 H new ATOM 0 HA SER B 16 -4.424 -3.805 8.381 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.693 -1.719 7.019 1.00 0.54 H new ATOM 0 HB3 SER B 16 -4.073 -1.396 8.049 1.00 0.54 H new ATOM 0 HG SER B 16 -1.633 -2.702 8.804 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.076 -3.361 5.136 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.782 -3.356 3.866 1.00 0.28 C ATOM 1891 C LEU B 17 -5.574 -4.636 3.708 1.00 0.27 C ATOM 1892 O LEU B 17 -6.621 -4.651 3.077 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.790 -3.212 2.724 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.897 -1.983 2.836 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.799 -2.011 1.794 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.737 -0.721 2.712 1.00 0.46 C ATOM 0 H LEU B 17 -3.060 -3.351 5.050 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.471 -2.512 3.846 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.163 -4.103 2.685 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.338 -3.167 1.783 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.417 -1.988 3.815 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -1.177 -1.122 1.897 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.186 -2.901 1.935 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.243 -2.030 0.798 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -3.093 0.154 2.793 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -4.241 -0.713 1.745 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.481 -0.699 3.509 1.00 0.46 H new ATOM 1908 N ILE B 18 -5.052 -5.718 4.264 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.804 -6.958 4.345 1.00 0.30 C ATOM 1910 C ILE B 18 -7.057 -6.744 5.176 1.00 0.28 C ATOM 1911 O ILE B 18 -8.167 -6.952 4.706 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.984 -8.103 4.973 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.782 -8.454 4.097 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.867 -9.326 5.183 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.915 -9.547 4.681 1.00 1.37 C ATOM 0 H ILE B 18 -4.115 -5.762 4.664 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.059 -7.244 3.325 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.611 -7.770 5.941 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.136 -8.767 3.115 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.176 -7.560 3.948 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -5.278 -10.128 5.627 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.691 -9.070 5.849 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.265 -9.656 4.224 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -2.080 -9.747 4.009 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.532 -9.229 5.651 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.507 -10.454 4.804 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.859 -6.292 6.403 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.952 -6.103 7.340 1.00 0.25 C ATOM 1929 C ALA B 19 -9.032 -5.176 6.781 1.00 0.23 C ATOM 1930 O ALA B 19 -10.212 -5.525 6.794 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.413 -5.579 8.659 1.00 0.28 C ATOM 0 H ALA B 19 -5.942 -6.047 6.775 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.425 -7.071 7.507 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.237 -5.439 9.359 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.704 -6.296 9.073 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.911 -4.626 8.494 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.635 -4.007 6.277 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.601 -3.058 5.730 1.00 0.22 C ATOM 1939 C VAL B 20 -10.240 -3.585 4.450 1.00 0.23 C ATOM 1940 O VAL B 20 -11.462 -3.514 4.290 1.00 0.27 O ATOM 1941 CB VAL B 20 -9.009 -1.650 5.469 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -7.711 -1.723 4.689 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -10.010 -0.789 4.727 1.00 0.87 C ATOM 0 H VAL B 20 -7.664 -3.698 6.237 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.363 -2.952 6.503 1.00 0.22 H new ATOM 0 HB VAL B 20 -8.792 -1.200 6.438 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.327 -0.716 4.526 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -6.980 -2.303 5.252 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.891 -2.203 3.727 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -9.581 0.197 4.550 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -10.254 -1.255 3.772 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -10.917 -0.689 5.324 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.433 -4.118 3.543 1.00 0.22 N ATOM 1954 CA PHE B 21 -9.978 -4.630 2.293 1.00 0.25 C ATOM 1955 C PHE B 21 -10.980 -5.746 2.566 1.00 0.29 C ATOM 1956 O PHE B 21 -12.074 -5.749 2.019 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.873 -5.137 1.365 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.372 -5.561 0.013 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.533 -4.633 -0.998 1.00 1.85 C ATOM 1960 CD2 PHE B 21 -9.684 -6.885 -0.242 1.00 1.59 C ATOM 1961 CE1 PHE B 21 -9.993 -5.012 -2.241 1.00 2.48 C ATOM 1962 CE2 PHE B 21 -10.148 -7.271 -1.483 1.00 2.17 C ATOM 1963 CZ PHE B 21 -10.302 -6.332 -2.483 1.00 2.40 C ATOM 0 H PHE B 21 -8.422 -4.206 3.644 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.487 -3.805 1.794 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.128 -4.352 1.238 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.370 -5.980 1.839 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.295 -3.596 -0.812 1.00 1.85 H new ATOM 0 HD2 PHE B 21 -9.563 -7.623 0.537 1.00 1.59 H new ATOM 0 HE1 PHE B 21 -10.111 -4.276 -3.023 1.00 2.48 H new ATOM 0 HE2 PHE B 21 -10.390 -8.306 -1.672 1.00 2.17 H new ATOM 0 HZ PHE B 21 -10.665 -6.632 -3.455 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.616 -6.663 3.448 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.427 -7.840 3.715 1.00 0.37 C ATOM 1975 C GLN B 22 -12.698 -7.505 4.480 1.00 0.36 C ATOM 1976 O GLN B 22 -13.687 -8.228 4.378 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.611 -8.883 4.480 1.00 0.47 C ATOM 1978 CG GLN B 22 -10.136 -10.036 3.610 1.00 1.11 C ATOM 1979 CD GLN B 22 -9.253 -9.599 2.453 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -8.512 -8.622 2.538 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -9.337 -10.324 1.353 1.00 2.65 N ATOM 0 H GLN B 22 -9.757 -6.614 3.995 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.728 -8.249 2.751 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.745 -8.397 4.930 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -11.215 -9.279 5.296 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -9.586 -10.745 4.229 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -11.004 -10.564 3.215 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -9.963 -11.128 1.319 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -8.776 -10.080 0.537 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.693 -6.413 5.233 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.864 -6.069 6.021 1.00 0.39 C ATOM 1992 C LYS B 23 -14.912 -5.378 5.153 1.00 0.41 C ATOM 1993 O LYS B 23 -16.113 -5.543 5.367 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.486 -5.207 7.239 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.944 -3.843 6.912 1.00 0.42 C ATOM 1996 CD LYS B 23 -12.189 -3.279 8.096 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.043 -1.784 7.975 1.00 0.64 C ATOM 1998 NZ LYS B 23 -11.094 -1.215 8.973 1.00 0.91 N ATOM 0 H LYS B 23 -11.910 -5.765 5.313 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.299 -6.993 6.402 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.368 -5.089 7.869 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -12.743 -5.744 7.828 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -12.284 -3.905 6.047 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -13.762 -3.175 6.642 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -12.715 -3.524 9.019 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -11.204 -3.741 8.158 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -11.699 -1.537 6.971 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -13.020 -1.317 8.101 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -11.108 -0.177 8.913 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -11.377 -1.510 9.929 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -10.133 -1.560 8.774 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.458 -4.604 4.174 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.364 -3.927 3.258 1.00 0.39 C ATOM 2014 C TYR B 24 -15.730 -4.798 2.063 1.00 0.34 C ATOM 2015 O TYR B 24 -16.900 -4.919 1.714 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.764 -2.601 2.813 1.00 0.46 C ATOM 2017 CG TYR B 24 -14.822 -1.567 3.908 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.045 -1.096 4.361 1.00 1.66 C ATOM 2019 CD2 TYR B 24 -13.670 -1.087 4.510 1.00 1.52 C ATOM 2020 CE1 TYR B 24 -16.120 -0.181 5.388 1.00 1.99 C ATOM 2021 CE2 TYR B 24 -13.736 -0.163 5.534 1.00 1.83 C ATOM 2022 CZ TYR B 24 -14.965 0.282 5.971 1.00 1.71 C ATOM 2023 OH TYR B 24 -15.039 1.185 7.002 1.00 2.15 O ATOM 0 H TYR B 24 -13.469 -4.431 3.995 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.293 -3.729 3.793 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.728 -2.754 2.511 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.300 -2.234 1.938 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -16.955 -1.453 3.901 1.00 1.66 H new ATOM 0 HD2 TYR B 24 -12.707 -1.441 4.173 1.00 1.52 H new ATOM 0 HE1 TYR B 24 -17.081 0.171 5.733 1.00 1.99 H new ATOM 0 HE2 TYR B 24 -12.830 0.209 5.990 1.00 1.83 H new ATOM 0 HH TYR B 24 -14.691 2.051 6.704 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.734 -5.414 1.446 1.00 0.29 N ATOM 2034 CA ALA B 25 -14.973 -6.290 0.308 1.00 0.34 C ATOM 2035 C ALA B 25 -15.750 -7.523 0.748 1.00 0.47 C ATOM 2036 O ALA B 25 -16.522 -8.096 -0.019 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.657 -6.687 -0.339 1.00 0.37 C ATOM 0 H ALA B 25 -13.754 -5.324 1.713 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.568 -5.753 -0.430 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.852 -7.342 -1.188 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.136 -5.793 -0.682 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.037 -7.211 0.389 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.557 -7.901 2.006 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.259 -9.041 2.563 1.00 0.64 C ATOM 2045 C GLY B 26 -17.756 -8.813 2.655 1.00 0.76 C ATOM 2046 O GLY B 26 -18.532 -9.764 2.752 1.00 0.96 O ATOM 0 H GLY B 26 -14.922 -7.434 2.654 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -16.066 -9.919 1.947 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.866 -9.256 3.557 1.00 0.64 H new ATOM 2147 N THR B 33 -12.755 -8.475 -4.196 1.00 0.66 N ATOM 2148 CA THR B 33 -13.104 -7.208 -4.817 1.00 0.45 C ATOM 2149 C THR B 33 -14.007 -6.361 -3.927 1.00 0.37 C ATOM 2150 O THR B 33 -15.072 -6.791 -3.487 1.00 0.44 O ATOM 2151 CB THR B 33 -13.786 -7.432 -6.178 1.00 0.45 C ATOM 2152 OG1 THR B 33 -13.885 -8.839 -6.456 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.014 -6.741 -7.292 1.00 0.43 C ATOM 0 HA THR B 33 -12.170 -6.666 -4.965 1.00 0.45 H new ATOM 0 HB THR B 33 -14.787 -7.002 -6.131 1.00 0.45 H new ATOM 0 HG1 THR B 33 -13.397 -9.343 -5.772 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.516 -6.914 -8.244 1.00 0.43 H new ATOM 0 HG22 THR B 33 -12.970 -5.670 -7.094 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.002 -7.143 -7.337 1.00 0.43 H new ATOM 2161 N LEU B 34 -13.552 -5.148 -3.676 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.285 -4.162 -2.903 1.00 0.30 C ATOM 2163 C LEU B 34 -15.188 -3.392 -3.845 1.00 0.31 C ATOM 2164 O LEU B 34 -14.732 -2.544 -4.612 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.257 -3.248 -2.227 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.479 -2.953 -0.742 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.211 -2.391 -0.116 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.623 -1.981 -0.551 1.00 0.28 C ATOM 0 H LEU B 34 -12.648 -4.814 -4.009 1.00 0.32 H new ATOM 0 HA LEU B 34 -14.909 -4.620 -2.135 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.271 -3.699 -2.342 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.238 -2.300 -2.764 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.733 -3.890 -0.247 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.386 -2.187 0.940 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.403 -3.116 -0.216 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -11.934 -1.467 -0.623 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.762 -1.787 0.513 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.396 -1.046 -1.064 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.537 -2.409 -0.964 1.00 0.28 H new ATOM 2180 N SER B 35 -16.468 -3.724 -3.799 1.00 0.31 N ATOM 2181 CA SER B 35 -17.432 -3.175 -4.728 1.00 0.33 C ATOM 2182 C SER B 35 -17.614 -1.683 -4.494 1.00 0.32 C ATOM 2183 O SER B 35 -17.241 -1.173 -3.441 1.00 0.30 O ATOM 2184 CB SER B 35 -18.758 -3.926 -4.602 1.00 0.37 C ATOM 2185 OG SER B 35 -19.674 -3.530 -5.603 1.00 0.40 O ATOM 0 H SER B 35 -16.862 -4.376 -3.121 1.00 0.31 H new ATOM 0 HA SER B 35 -17.061 -3.303 -5.745 1.00 0.33 H new ATOM 0 HB2 SER B 35 -18.578 -4.999 -4.675 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.190 -3.742 -3.618 1.00 0.37 H new ATOM 0 HG SER B 35 -20.511 -4.029 -5.497 1.00 0.40 H new ATOM 2191 N LYS B 36 -18.181 -0.993 -5.482 1.00 0.38 N ATOM 2192 CA LYS B 36 -18.298 0.459 -5.446 1.00 0.42 C ATOM 2193 C LYS B 36 -18.887 0.942 -4.129 1.00 0.36 C ATOM 2194 O LYS B 36 -18.249 1.705 -3.416 1.00 0.35 O ATOM 2195 CB LYS B 36 -19.148 0.973 -6.609 1.00 0.53 C ATOM 2196 CG LYS B 36 -19.235 2.490 -6.653 1.00 0.62 C ATOM 2197 CD LYS B 36 -19.987 2.978 -7.876 1.00 0.66 C ATOM 2198 CE LYS B 36 -20.011 4.497 -7.938 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.755 4.986 -9.124 1.00 0.65 N ATOM 0 H LYS B 36 -18.568 -1.422 -6.322 1.00 0.38 H new ATOM 0 HA LYS B 36 -17.289 0.860 -5.540 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -18.728 0.611 -7.547 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -20.153 0.559 -6.529 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -19.732 2.851 -5.753 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -18.230 2.911 -6.653 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -19.517 2.582 -8.777 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -21.008 2.596 -7.855 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -20.471 4.891 -7.032 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.990 4.876 -7.967 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.721 6.025 -9.151 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.321 4.603 -9.988 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.745 4.673 -9.066 1.00 0.65 H new ATOM 2213 N THR B 37 -20.087 0.484 -3.799 1.00 0.37 N ATOM 2214 CA THR B 37 -20.754 0.914 -2.577 1.00 0.38 C ATOM 2215 C THR B 37 -19.949 0.537 -1.333 1.00 0.36 C ATOM 2216 O THR B 37 -19.926 1.275 -0.344 1.00 0.38 O ATOM 2217 CB THR B 37 -22.157 0.310 -2.471 1.00 0.44 C ATOM 2218 OG1 THR B 37 -22.895 0.596 -3.670 1.00 0.47 O ATOM 2219 CG2 THR B 37 -22.882 0.890 -1.267 1.00 0.49 C ATOM 0 H THR B 37 -20.618 -0.184 -4.359 1.00 0.37 H new ATOM 0 HA THR B 37 -20.833 2.000 -2.628 1.00 0.38 H new ATOM 0 HB THR B 37 -22.075 -0.770 -2.347 1.00 0.44 H new ATOM 0 HG1 THR B 37 -23.792 0.208 -3.602 1.00 0.47 H new ATOM 0 HG21 THR B 37 -23.879 0.455 -1.199 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.323 0.660 -0.360 1.00 0.49 H new ATOM 0 HG23 THR B 37 -22.964 1.971 -1.378 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.263 -0.594 -1.395 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.460 -1.044 -0.271 1.00 0.33 C ATOM 2229 C GLU B 38 -17.255 -0.135 -0.141 1.00 0.33 C ATOM 2230 O GLU B 38 -16.757 0.120 0.957 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.011 -2.491 -0.451 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.116 -3.433 -0.907 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.370 -3.360 -0.054 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -20.271 -3.054 1.150 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -21.469 -3.597 -0.596 1.00 2.16 O ATOM 0 H GLU B 38 -19.246 -1.212 -2.206 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.064 -1.001 0.635 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.200 -2.521 -1.179 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.605 -2.854 0.493 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.376 -3.201 -1.940 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -18.738 -4.455 -0.895 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.814 0.376 -1.283 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.671 1.257 -1.341 1.00 0.31 C ATOM 2244 C PHE B 39 -16.099 2.647 -0.939 1.00 0.28 C ATOM 2245 O PHE B 39 -15.306 3.421 -0.426 1.00 0.27 O ATOM 2246 CB PHE B 39 -15.081 1.275 -2.750 1.00 0.53 C ATOM 2247 CG PHE B 39 -13.587 1.397 -2.764 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -12.804 0.324 -2.393 1.00 1.76 C ATOM 2249 CD2 PHE B 39 -12.966 2.576 -3.136 1.00 1.78 C ATOM 2250 CE1 PHE B 39 -11.432 0.413 -2.394 1.00 2.61 C ATOM 2251 CE2 PHE B 39 -11.591 2.676 -3.138 1.00 2.66 C ATOM 2252 CZ PHE B 39 -10.821 1.590 -2.767 1.00 2.87 C ATOM 0 H PHE B 39 -17.242 0.188 -2.189 1.00 0.29 H new ATOM 0 HA PHE B 39 -14.904 0.897 -0.655 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -15.369 0.361 -3.269 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -15.512 2.107 -3.307 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -13.276 -0.601 -2.097 1.00 1.76 H new ATOM 0 HD2 PHE B 39 -13.564 3.426 -3.428 1.00 1.78 H new ATOM 0 HE1 PHE B 39 -10.834 -0.438 -2.103 1.00 2.61 H new ATOM 0 HE2 PHE B 39 -11.116 3.601 -3.429 1.00 2.66 H new ATOM 0 HZ PHE B 39 -9.744 1.664 -2.769 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.362 2.957 -1.187 1.00 0.33 N ATOM 2263 CA LEU B 40 -17.943 4.201 -0.723 1.00 0.37 C ATOM 2264 C LEU B 40 -17.873 4.232 0.794 1.00 0.40 C ATOM 2265 O LEU B 40 -17.355 5.175 1.386 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.393 4.332 -1.194 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.616 4.180 -2.702 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -20.983 4.705 -3.105 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.516 4.862 -3.490 1.00 0.46 C ATOM 0 H LEU B 40 -18.004 2.360 -1.709 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.384 5.041 -1.137 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -19.993 3.582 -0.679 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.769 5.307 -0.886 1.00 0.43 H new ATOM 0 HG LEU B 40 -19.582 3.116 -2.938 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -21.116 4.585 -4.180 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -21.757 4.146 -2.579 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -21.058 5.761 -2.845 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.702 4.737 -4.557 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -18.499 5.924 -3.247 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -17.555 4.416 -3.234 1.00 0.46 H new ATOM 2281 N SER B 41 -18.369 3.166 1.410 1.00 0.42 N ATOM 2282 CA SER B 41 -18.251 2.988 2.848 1.00 0.52 C ATOM 2283 C SER B 41 -16.785 3.071 3.273 1.00 0.45 C ATOM 2284 O SER B 41 -16.447 3.824 4.181 1.00 0.47 O ATOM 2285 CB SER B 41 -18.859 1.648 3.259 1.00 0.67 C ATOM 2286 OG SER B 41 -20.216 1.568 2.849 1.00 1.40 O ATOM 0 H SER B 41 -18.859 2.410 0.932 1.00 0.42 H new ATOM 0 HA SER B 41 -18.797 3.785 3.351 1.00 0.52 H new ATOM 0 HB2 SER B 41 -18.290 0.832 2.813 1.00 0.67 H new ATOM 0 HB3 SER B 41 -18.793 1.529 4.340 1.00 0.67 H new ATOM 0 HG SER B 41 -20.257 1.365 1.891 1.00 1.40 H new ATOM 2292 N PHE B 42 -15.927 2.301 2.596 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.474 2.374 2.789 1.00 0.46 C ATOM 2294 C PHE B 42 -13.991 3.820 2.777 1.00 0.29 C ATOM 2295 O PHE B 42 -13.459 4.316 3.753 1.00 0.42 O ATOM 2296 CB PHE B 42 -13.765 1.617 1.669 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.291 1.888 1.596 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.447 1.547 2.635 1.00 2.69 C ATOM 2299 CD2 PHE B 42 -11.758 2.514 0.486 1.00 2.77 C ATOM 2300 CE1 PHE B 42 -10.095 1.824 2.563 1.00 3.73 C ATOM 2301 CE2 PHE B 42 -10.413 2.794 0.411 1.00 3.80 C ATOM 2302 CZ PHE B 42 -9.579 2.449 1.451 1.00 4.13 C ATOM 0 H PHE B 42 -16.218 1.612 1.902 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.243 1.928 3.756 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -13.922 0.548 1.809 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.222 1.884 0.716 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -11.847 1.059 3.512 1.00 2.69 H new ATOM 0 HD2 PHE B 42 -12.406 2.787 -0.334 1.00 2.77 H new ATOM 0 HE1 PHE B 42 -9.443 1.550 3.380 1.00 3.73 H new ATOM 0 HE2 PHE B 42 -10.011 3.284 -0.463 1.00 3.80 H new ATOM 0 HZ PHE B 42 -8.523 2.668 1.394 1.00 4.13 H new ATOM 2312 N MET B 43 -14.193 4.483 1.657 1.00 0.26 N ATOM 2313 CA MET B 43 -13.666 5.824 1.444 1.00 0.29 C ATOM 2314 C MET B 43 -14.212 6.847 2.433 1.00 0.29 C ATOM 2315 O MET B 43 -13.465 7.689 2.917 1.00 0.37 O ATOM 2316 CB MET B 43 -13.942 6.274 0.015 1.00 0.38 C ATOM 2317 CG MET B 43 -13.018 5.627 -1.008 1.00 0.62 C ATOM 2318 SD MET B 43 -13.424 6.051 -2.713 1.00 1.22 S ATOM 2319 CE MET B 43 -15.040 5.297 -2.875 1.00 2.25 C ATOM 0 H MET B 43 -14.724 4.113 0.869 1.00 0.26 H new ATOM 0 HA MET B 43 -12.591 5.769 1.614 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.976 6.040 -0.239 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.837 7.357 -0.044 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.991 5.930 -0.801 1.00 0.62 H new ATOM 0 HG3 MET B 43 -13.061 4.544 -0.891 1.00 0.62 H new ATOM 0 HE1 MET B 43 -15.394 5.412 -3.900 1.00 2.25 H new ATOM 0 HE2 MET B 43 -14.973 4.237 -2.631 1.00 2.25 H new ATOM 0 HE3 MET B 43 -15.738 5.783 -2.193 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.495 6.792 2.749 1.00 0.29 N ATOM 2330 CA ASN B 44 -16.072 7.782 3.658 1.00 0.33 C ATOM 2331 C ASN B 44 -15.661 7.534 5.104 1.00 0.32 C ATOM 2332 O ASN B 44 -15.804 8.417 5.947 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.594 7.814 3.581 1.00 0.42 C ATOM 2334 CG ASN B 44 -18.126 8.413 2.292 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -18.302 9.726 2.277 1.00 1.53 O flip ATOM 2336 ND2 ASN B 44 -18.386 7.708 1.320 1.00 1.83 N flip ATOM 0 H ASN B 44 -16.149 6.091 2.401 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.679 8.745 3.332 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.976 6.798 3.684 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.980 8.387 4.424 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -18.238 6.700 1.367 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.750 8.131 0.466 1.00 1.83 H new ATOM 2343 N THR B 45 -15.180 6.337 5.403 1.00 0.27 N ATOM 2344 CA THR B 45 -14.761 6.017 6.766 1.00 0.29 C ATOM 2345 C THR B 45 -13.243 5.985 6.893 1.00 0.28 C ATOM 2346 O THR B 45 -12.643 6.784 7.615 1.00 0.34 O ATOM 2347 CB THR B 45 -15.325 4.659 7.219 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.000 3.653 6.255 1.00 0.34 O ATOM 2349 CG2 THR B 45 -16.831 4.729 7.397 1.00 0.34 C ATOM 0 H THR B 45 -15.069 5.577 4.732 1.00 0.27 H new ATOM 0 HA THR B 45 -15.156 6.806 7.406 1.00 0.29 H new ATOM 0 HB THR B 45 -14.876 4.405 8.179 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.590 3.742 5.478 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.205 3.757 7.717 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.074 5.478 8.151 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.297 5.003 6.450 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.640 5.070 6.157 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.213 4.835 6.190 1.00 0.25 C ATOM 2359 C GLU B 46 -10.463 5.973 5.517 1.00 0.25 C ATOM 2360 O GLU B 46 -9.312 6.238 5.832 1.00 0.34 O ATOM 2361 CB GLU B 46 -10.889 3.513 5.491 1.00 0.29 C ATOM 2362 CG GLU B 46 -11.333 2.271 6.254 1.00 0.57 C ATOM 2363 CD GLU B 46 -10.532 2.032 7.521 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -9.324 2.337 7.535 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -11.108 1.514 8.504 1.00 1.68 O ATOM 0 H GLU B 46 -13.139 4.460 5.509 1.00 0.23 H new ATOM 0 HA GLU B 46 -10.895 4.782 7.231 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.363 3.510 4.509 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -9.813 3.458 5.326 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -12.388 2.368 6.511 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -11.242 1.401 5.604 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.102 6.657 4.590 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.430 7.749 3.907 1.00 0.26 C ATOM 2374 C LEU B 47 -11.203 9.036 4.037 1.00 0.28 C ATOM 2375 O LEU B 47 -11.134 9.898 3.166 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.213 7.433 2.438 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.377 6.192 2.154 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.264 5.977 0.659 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -7.998 6.322 2.789 1.00 0.28 C ATOM 0 H LEU B 47 -12.063 6.484 4.295 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.459 7.872 4.387 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.186 7.312 1.962 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.732 8.290 1.966 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.870 5.325 2.593 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.665 5.088 0.464 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.259 5.845 0.234 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.787 6.844 0.202 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.414 5.427 2.576 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.489 7.194 2.378 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.104 6.439 3.868 1.00 0.28 H new ATOM 2391 N ALA B 48 -11.943 9.163 5.120 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.683 10.377 5.393 1.00 0.37 C ATOM 2393 C ALA B 48 -11.749 11.582 5.476 1.00 0.39 C ATOM 2394 O ALA B 48 -12.164 12.718 5.246 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.480 10.202 6.666 1.00 0.41 C ATOM 0 H ALA B 48 -12.048 8.436 5.828 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.374 10.568 4.572 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -14.038 11.115 6.874 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.175 9.370 6.549 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -12.802 9.995 7.494 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.484 11.316 5.790 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.442 12.335 5.749 1.00 0.41 C ATOM 2403 C ALA B 49 -9.361 12.956 4.359 1.00 0.41 C ATOM 2404 O ALA B 49 -9.272 14.172 4.206 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.101 11.716 6.120 1.00 0.44 C ATOM 0 H ALA B 49 -10.155 10.394 6.078 1.00 0.38 H new ATOM 0 HA ALA B 49 -9.688 13.118 6.467 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.326 12.481 6.088 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.158 11.299 7.126 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -7.858 10.923 5.412 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.416 12.095 3.357 1.00 0.36 N ATOM 2412 CA PHE B 50 -9.336 12.498 1.962 1.00 0.37 C ATOM 2413 C PHE B 50 -10.699 12.893 1.417 1.00 0.38 C ATOM 2414 O PHE B 50 -10.856 13.949 0.808 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.787 11.339 1.142 1.00 0.35 C ATOM 2416 CG PHE B 50 -7.291 11.229 1.179 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -6.657 10.472 2.151 1.00 1.63 C ATOM 2418 CD2 PHE B 50 -6.516 11.889 0.238 1.00 1.33 C ATOM 2419 CE1 PHE B 50 -5.280 10.374 2.182 1.00 2.10 C ATOM 2420 CE2 PHE B 50 -5.138 11.795 0.265 1.00 1.67 C ATOM 2421 CZ PHE B 50 -4.519 11.037 1.239 1.00 1.80 C ATOM 0 H PHE B 50 -9.518 11.089 3.489 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.678 13.365 1.893 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -9.220 10.409 1.509 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.109 11.454 0.107 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -7.246 9.953 2.892 1.00 1.63 H new ATOM 0 HD2 PHE B 50 -6.995 12.484 -0.525 1.00 1.33 H new ATOM 0 HE1 PHE B 50 -4.798 9.779 2.944 1.00 2.10 H new ATOM 0 HE2 PHE B 50 -4.546 12.314 -0.475 1.00 1.67 H new ATOM 0 HZ PHE B 50 -3.442 10.963 1.263 1.00 1.80 H new ATOM 2431 N THR B 51 -11.670 12.021 1.639 1.00 0.36 N ATOM 2432 CA THR B 51 -13.023 12.186 1.134 1.00 0.40 C ATOM 2433 C THR B 51 -13.602 13.556 1.477 1.00 0.45 C ATOM 2434 O THR B 51 -14.064 14.286 0.597 1.00 0.53 O ATOM 2435 CB THR B 51 -13.918 11.084 1.721 1.00 0.39 C ATOM 2436 OG1 THR B 51 -13.509 9.810 1.214 1.00 0.39 O ATOM 2437 CG2 THR B 51 -15.386 11.327 1.411 1.00 0.49 C ATOM 0 H THR B 51 -11.538 11.168 2.182 1.00 0.36 H new ATOM 0 HA THR B 51 -12.988 12.110 0.047 1.00 0.40 H new ATOM 0 HB THR B 51 -13.806 11.099 2.805 1.00 0.39 H new ATOM 0 HG1 THR B 51 -13.448 9.168 1.952 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.986 10.526 1.843 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.695 12.282 1.837 1.00 0.49 H new ATOM 0 HG23 THR B 51 -15.531 11.347 0.331 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.549 13.908 2.749 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.140 15.154 3.213 1.00 0.60 C ATOM 2447 C LYS B 52 -13.302 16.342 2.775 1.00 0.69 C ATOM 2448 O LYS B 52 -13.818 17.439 2.554 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.275 15.131 4.729 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.178 14.014 5.215 1.00 0.78 C ATOM 2451 CD LYS B 52 -15.277 13.976 6.727 1.00 1.07 C ATOM 2452 CE LYS B 52 -16.192 12.853 7.181 1.00 1.24 C ATOM 2453 NZ LYS B 52 -16.304 12.782 8.662 1.00 1.82 N ATOM 0 H LYS B 52 -13.104 13.351 3.479 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.131 15.255 2.770 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.288 15.016 5.177 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -14.671 16.088 5.070 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -16.174 14.143 4.790 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -14.798 13.058 4.853 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -14.285 13.839 7.157 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -15.655 14.930 7.095 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -17.183 12.998 6.750 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -15.815 11.904 6.801 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -16.938 12.001 8.925 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -15.363 12.618 9.074 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -16.689 13.678 9.024 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.526 12.763 -4.932 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.426 12.424 -6.340 1.00 0.56 C ATOM 2548 C GLY B 58 -17.003 12.121 -6.745 1.00 0.49 C ATOM 2549 O GLY B 58 -16.763 11.475 -7.761 1.00 0.48 O ATOM 0 HA2 GLY B 58 -19.056 11.560 -6.551 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.807 13.250 -6.941 1.00 0.56 H new ATOM 2553 N VAL B 59 -16.054 12.588 -5.944 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.656 12.276 -6.176 1.00 0.52 C ATOM 2555 C VAL B 59 -14.401 10.800 -5.967 1.00 0.49 C ATOM 2556 O VAL B 59 -13.626 10.190 -6.691 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.717 13.074 -5.251 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -14.070 12.839 -3.791 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.272 12.685 -5.512 1.00 0.66 C ATOM 0 H VAL B 59 -16.229 13.181 -5.133 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.443 12.555 -7.208 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.842 14.135 -5.466 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.394 13.412 -3.156 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.096 13.158 -3.609 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -13.973 11.778 -3.559 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.617 13.255 -4.853 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -12.142 11.620 -5.321 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -12.019 12.901 -6.550 1.00 0.66 H new ATOM 2569 N LEU B 60 -15.075 10.231 -4.988 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.920 8.823 -4.685 1.00 0.46 C ATOM 2571 C LEU B 60 -15.386 8.007 -5.875 1.00 0.43 C ATOM 2572 O LEU B 60 -14.909 6.904 -6.130 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.738 8.447 -3.459 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.564 9.356 -2.243 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.322 8.796 -1.048 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -14.089 9.526 -1.917 1.00 0.52 C ATOM 0 H LEU B 60 -15.737 10.723 -4.388 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.870 8.617 -4.478 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.792 8.440 -3.736 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.477 7.429 -3.169 1.00 0.48 H new ATOM 0 HG LEU B 60 -15.977 10.337 -2.478 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.188 9.455 -0.190 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.383 8.727 -1.290 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -15.939 7.804 -0.807 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -13.981 10.176 -1.049 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.650 8.552 -1.698 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.577 9.972 -2.770 1.00 0.52 H new ATOM 2588 N ASP B 61 -16.318 8.594 -6.603 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.854 7.997 -7.820 1.00 0.46 C ATOM 2590 C ASP B 61 -15.788 8.000 -8.897 1.00 0.47 C ATOM 2591 O ASP B 61 -15.692 7.082 -9.712 1.00 0.51 O ATOM 2592 CB ASP B 61 -18.086 8.776 -8.292 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.850 8.082 -9.404 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -18.429 8.166 -10.574 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -19.894 7.463 -9.114 1.00 1.19 O ATOM 0 H ASP B 61 -16.727 9.499 -6.370 1.00 0.46 H new ATOM 0 HA ASP B 61 -17.152 6.969 -7.615 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.754 8.932 -7.445 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.773 9.762 -8.637 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.971 9.034 -8.866 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.879 9.177 -9.804 1.00 0.51 C ATOM 2602 C ARG B 62 -12.755 8.222 -9.432 1.00 0.50 C ATOM 2603 O ARG B 62 -12.180 7.567 -10.298 1.00 0.56 O ATOM 2604 CB ARG B 62 -13.377 10.619 -9.805 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.498 11.639 -9.892 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.981 13.060 -9.800 1.00 0.62 C ATOM 2607 NE ARG B 62 -13.062 13.396 -10.886 1.00 1.45 N ATOM 2608 CZ ARG B 62 -12.575 14.620 -11.090 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -12.921 15.617 -10.281 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -11.740 14.845 -12.097 1.00 3.02 N ATOM 0 H ARG B 62 -15.046 9.796 -8.192 1.00 0.47 H new ATOM 0 HA ARG B 62 -14.230 8.932 -10.806 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.801 10.798 -8.897 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.699 10.761 -10.646 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -15.035 11.509 -10.832 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -15.213 11.461 -9.089 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.824 13.751 -9.816 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.474 13.197 -8.845 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.777 12.652 -11.523 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -13.559 15.445 -9.504 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -12.548 16.553 -10.437 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -11.470 14.081 -12.716 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -11.368 15.782 -12.252 1.00 3.02 H new ATOM 2624 N MET B 63 -12.466 8.138 -8.132 1.00 0.45 N ATOM 2625 CA MET B 63 -11.453 7.216 -7.625 1.00 0.44 C ATOM 2626 C MET B 63 -11.839 5.804 -7.987 1.00 0.41 C ATOM 2627 O MET B 63 -11.047 5.053 -8.540 1.00 0.42 O ATOM 2628 CB MET B 63 -11.316 7.285 -6.103 1.00 0.43 C ATOM 2629 CG MET B 63 -11.295 8.691 -5.533 1.00 0.49 C ATOM 2630 SD MET B 63 -9.863 9.654 -6.064 1.00 0.63 S ATOM 2631 CE MET B 63 -8.523 8.731 -5.312 1.00 1.54 C ATOM 0 H MET B 63 -12.921 8.699 -7.412 1.00 0.45 H new ATOM 0 HA MET B 63 -10.503 7.503 -8.075 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.143 6.737 -5.652 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.398 6.775 -5.811 1.00 0.43 H new ATOM 0 HG2 MET B 63 -12.205 9.211 -5.832 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.303 8.635 -4.444 1.00 0.49 H new ATOM 0 HE1 MET B 63 -7.629 9.354 -5.272 1.00 1.54 H new ATOM 0 HE2 MET B 63 -8.806 8.438 -4.301 1.00 1.54 H new ATOM 0 HE3 MET B 63 -8.318 7.839 -5.905 1.00 1.54 H new ATOM 2641 N MET B 64 -13.074 5.458 -7.670 1.00 0.41 N ATOM 2642 CA MET B 64 -13.588 4.136 -7.948 1.00 0.42 C ATOM 2643 C MET B 64 -13.366 3.758 -9.401 1.00 0.44 C ATOM 2644 O MET B 64 -12.890 2.677 -9.683 1.00 0.41 O ATOM 2645 CB MET B 64 -15.075 4.052 -7.601 1.00 0.55 C ATOM 2646 CG MET B 64 -15.738 2.791 -8.120 1.00 0.65 C ATOM 2647 SD MET B 64 -16.712 3.079 -9.609 1.00 1.87 S ATOM 2648 CE MET B 64 -17.173 1.401 -10.030 1.00 2.41 C ATOM 0 H MET B 64 -13.741 6.082 -7.216 1.00 0.41 H new ATOM 0 HA MET B 64 -13.043 3.428 -7.324 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.192 4.097 -6.518 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.588 4.921 -8.014 1.00 0.55 H new ATOM 0 HG2 MET B 64 -14.973 2.043 -8.330 1.00 0.65 H new ATOM 0 HG3 MET B 64 -16.382 2.378 -7.344 1.00 0.65 H new ATOM 0 HE1 MET B 64 -16.544 1.045 -10.846 1.00 2.41 H new ATOM 0 HE2 MET B 64 -17.039 0.758 -9.160 1.00 2.41 H new ATOM 0 HE3 MET B 64 -18.217 1.378 -10.341 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.680 4.663 -10.312 1.00 0.52 N ATOM 2659 CA LYS B 65 -13.626 4.344 -11.737 1.00 0.56 C ATOM 2660 C LYS B 65 -12.209 4.199 -12.300 1.00 0.54 C ATOM 2661 O LYS B 65 -11.981 3.326 -13.139 1.00 0.60 O ATOM 2662 CB LYS B 65 -14.440 5.339 -12.555 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.878 4.881 -12.754 1.00 0.79 C ATOM 2664 CD LYS B 65 -15.923 3.579 -13.548 1.00 0.86 C ATOM 2665 CE LYS B 65 -17.269 2.887 -13.447 1.00 1.57 C ATOM 2666 NZ LYS B 65 -17.209 1.497 -13.976 1.00 2.49 N ATOM 0 H LYS B 65 -13.973 5.616 -10.099 1.00 0.52 H new ATOM 0 HA LYS B 65 -14.077 3.356 -11.827 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -14.435 6.308 -12.055 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.968 5.480 -13.527 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -16.357 4.739 -11.785 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -16.442 5.653 -13.279 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -15.702 3.787 -14.595 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -15.144 2.908 -13.185 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -17.592 2.868 -12.406 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -18.015 3.457 -14.002 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -18.083 0.992 -13.725 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -17.109 1.523 -15.011 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -16.393 1.003 -13.562 1.00 2.49 H new ATOM 2680 N LYS B 66 -11.262 5.037 -11.883 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.864 4.842 -12.299 1.00 0.52 C ATOM 2682 C LYS B 66 -9.371 3.487 -11.849 1.00 0.48 C ATOM 2683 O LYS B 66 -8.779 2.721 -12.614 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.924 5.888 -11.704 1.00 0.55 C ATOM 2685 CG LYS B 66 -9.385 6.480 -10.395 1.00 0.91 C ATOM 2686 CD LYS B 66 -8.384 7.483 -9.841 1.00 0.96 C ATOM 2687 CE LYS B 66 -7.157 6.800 -9.255 1.00 0.73 C ATOM 2688 NZ LYS B 66 -6.076 7.775 -8.950 1.00 1.47 N ATOM 0 H LYS B 66 -11.424 5.839 -11.274 1.00 0.50 H new ATOM 0 HA LYS B 66 -9.855 4.931 -13.385 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -7.944 5.434 -11.556 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -8.796 6.694 -12.426 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -10.348 6.970 -10.538 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -9.538 5.681 -9.669 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -8.076 8.163 -10.635 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -8.864 8.087 -9.072 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -7.436 6.270 -8.344 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -6.786 6.054 -9.957 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -5.257 7.272 -8.553 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.792 8.263 -9.823 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -6.422 8.472 -8.260 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.617 3.228 -10.587 1.00 0.41 N ATOM 2703 CA LEU B 67 -9.187 2.018 -9.936 1.00 0.39 C ATOM 2704 C LEU B 67 -9.946 0.828 -10.486 1.00 0.40 C ATOM 2705 O LEU B 67 -9.400 -0.258 -10.626 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.466 2.164 -8.466 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.859 3.405 -7.802 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.333 3.526 -6.366 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.341 3.380 -7.870 1.00 0.37 C ATOM 0 H LEU B 67 -10.130 3.863 -9.976 1.00 0.41 H new ATOM 0 HA LEU B 67 -8.124 1.854 -10.111 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.546 2.185 -8.319 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -9.092 1.278 -7.953 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.200 4.282 -8.353 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -8.892 4.413 -5.911 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.420 3.611 -6.347 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -9.029 2.641 -5.807 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -6.941 4.273 -7.391 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.968 2.494 -7.356 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -7.024 3.354 -8.913 1.00 0.37 H new ATOM 2721 N ASP B 68 -11.223 1.040 -10.790 1.00 0.39 N ATOM 2722 CA ASP B 68 -12.042 0.019 -11.428 1.00 0.42 C ATOM 2723 C ASP B 68 -11.621 -0.081 -12.881 1.00 0.52 C ATOM 2724 O ASP B 68 -12.382 0.158 -13.821 1.00 0.57 O ATOM 2725 CB ASP B 68 -13.535 0.343 -11.282 1.00 0.43 C ATOM 2726 CG ASP B 68 -14.447 -0.605 -12.041 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -14.265 -1.838 -11.932 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -15.368 -0.117 -12.740 1.00 1.13 O ATOM 0 H ASP B 68 -11.713 1.915 -10.603 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.891 -0.946 -10.943 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.800 0.319 -10.225 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.712 1.360 -11.632 1.00 0.43 H new ATOM 2733 N THR B 69 -10.365 -0.414 -13.025 1.00 0.58 N ATOM 2734 CA THR B 69 -9.693 -0.449 -14.294 1.00 0.74 C ATOM 2735 C THR B 69 -10.169 -1.641 -15.116 1.00 0.83 C ATOM 2736 O THR B 69 -9.999 -1.690 -16.334 1.00 0.99 O ATOM 2737 CB THR B 69 -8.178 -0.508 -14.040 1.00 0.79 C ATOM 2738 OG1 THR B 69 -7.454 -0.084 -15.202 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.762 -1.918 -13.658 1.00 0.82 C ATOM 0 H THR B 69 -9.767 -0.675 -12.241 1.00 0.58 H new ATOM 0 HA THR B 69 -9.924 0.448 -14.868 1.00 0.74 H new ATOM 0 HB THR B 69 -7.943 0.167 -13.217 1.00 0.79 H new ATOM 0 HG1 THR B 69 -6.492 -0.127 -15.021 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.687 -1.945 -13.481 1.00 0.82 H new ATOM 0 HG22 THR B 69 -8.287 -2.219 -12.751 1.00 0.82 H new ATOM 0 HG23 THR B 69 -8.014 -2.603 -14.467 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.798 -2.584 -14.433 1.00 0.80 N ATOM 2748 CA ASN B 70 -11.371 -3.750 -15.079 1.00 0.94 C ATOM 2749 C ASN B 70 -12.797 -3.431 -15.502 1.00 0.86 C ATOM 2750 O ASN B 70 -13.418 -4.146 -16.288 1.00 0.98 O ATOM 2751 CB ASN B 70 -11.355 -4.927 -14.106 1.00 1.00 C ATOM 2752 CG ASN B 70 -11.440 -6.283 -14.788 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -10.852 -7.291 -14.166 1.00 1.46 O flip ATOM 2754 ND2 ASN B 70 -12.023 -6.429 -15.859 1.00 1.66 N flip ATOM 0 H ASN B 70 -10.924 -2.562 -13.421 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.788 -4.016 -15.961 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.441 -4.885 -13.513 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -12.190 -4.826 -13.413 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -12.466 -5.629 -16.312 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -12.064 -7.350 -16.296 1.00 1.66 H new ATOM 2761 N SER B 71 -13.290 -2.319 -14.959 1.00 0.70 N ATOM 2762 CA SER B 71 -14.620 -1.810 -15.253 1.00 0.66 C ATOM 2763 C SER B 71 -15.684 -2.829 -14.873 1.00 0.61 C ATOM 2764 O SER B 71 -16.687 -3.003 -15.567 1.00 0.66 O ATOM 2765 CB SER B 71 -14.715 -1.420 -16.729 1.00 0.82 C ATOM 2766 OG SER B 71 -13.687 -0.496 -17.058 1.00 1.48 O ATOM 0 H SER B 71 -12.769 -1.744 -14.297 1.00 0.70 H new ATOM 0 HA SER B 71 -14.799 -0.917 -14.654 1.00 0.66 H new ATOM 0 HB2 SER B 71 -14.629 -2.309 -17.354 1.00 0.82 H new ATOM 0 HB3 SER B 71 -15.690 -0.979 -16.934 1.00 0.82 H new ATOM 0 HG SER B 71 -13.755 -0.254 -18.005 1.00 1.48 H new ATOM 2772 N ASP B 72 -15.463 -3.478 -13.743 1.00 0.58 N ATOM 2773 CA ASP B 72 -16.366 -4.501 -13.253 1.00 0.65 C ATOM 2774 C ASP B 72 -17.276 -3.898 -12.199 1.00 0.56 C ATOM 2775 O ASP B 72 -18.334 -4.439 -11.880 1.00 0.66 O ATOM 2776 CB ASP B 72 -15.569 -5.665 -12.660 1.00 0.80 C ATOM 2777 CG ASP B 72 -16.449 -6.837 -12.278 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -16.865 -7.590 -13.183 1.00 1.53 O ATOM 2779 OD2 ASP B 72 -16.726 -7.019 -11.076 1.00 1.56 O ATOM 0 H ASP B 72 -14.656 -3.311 -13.143 1.00 0.58 H new ATOM 0 HA ASP B 72 -16.969 -4.880 -14.078 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -14.823 -5.996 -13.383 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -15.028 -5.319 -11.779 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.858 -2.757 -11.676 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.642 -2.067 -10.682 1.00 0.46 C ATOM 2786 C GLY B 73 -17.124 -2.322 -9.287 1.00 0.41 C ATOM 2787 O GLY B 73 -17.743 -1.921 -8.298 1.00 0.44 O ATOM 0 H GLY B 73 -15.983 -2.296 -11.926 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.627 -0.996 -10.886 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.681 -2.390 -10.749 1.00 0.46 H new ATOM 2791 N GLN B 74 -15.985 -2.993 -9.212 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.369 -3.324 -7.944 1.00 0.37 C ATOM 2793 C GLN B 74 -13.872 -3.128 -8.048 1.00 0.36 C ATOM 2794 O GLN B 74 -13.308 -3.163 -9.141 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.646 -4.775 -7.555 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.107 -5.180 -7.658 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.380 -6.568 -7.118 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -16.540 -7.459 -7.192 1.00 1.02 O ATOM 2799 NE2 GLN B 74 -18.564 -6.756 -6.564 1.00 1.25 N ATOM 0 H GLN B 74 -15.466 -3.321 -10.027 1.00 0.38 H new ATOM 0 HA GLN B 74 -15.792 -2.670 -7.182 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.053 -5.430 -8.194 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.307 -4.936 -6.532 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.717 -4.459 -7.114 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.417 -5.136 -8.702 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -19.235 -5.989 -6.522 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -18.807 -7.668 -6.178 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.236 -2.938 -6.915 1.00 0.33 N ATOM 2809 CA LEU B 75 -11.800 -2.747 -6.880 1.00 0.31 C ATOM 2810 C LEU B 75 -11.130 -3.956 -6.302 1.00 0.32 C ATOM 2811 O LEU B 75 -11.380 -4.342 -5.161 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.428 -1.514 -6.076 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.128 -0.249 -6.552 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.526 0.974 -5.909 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -12.048 -0.152 -8.059 1.00 0.35 C ATOM 0 H LEU B 75 -13.690 -2.911 -6.002 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.457 -2.601 -7.904 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -11.675 -1.685 -5.028 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.349 -1.366 -6.130 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.176 -0.300 -6.257 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -12.044 1.865 -6.266 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -11.629 0.904 -4.826 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.470 1.039 -6.170 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.551 0.756 -8.392 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -11.003 -0.121 -8.367 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.532 -1.020 -8.506 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.284 -4.555 -7.098 1.00 0.35 N ATOM 2828 CA ASP B 76 -9.632 -5.780 -6.702 1.00 0.36 C ATOM 2829 C ASP B 76 -8.404 -5.485 -5.873 1.00 0.33 C ATOM 2830 O ASP B 76 -8.078 -4.325 -5.615 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.292 -6.624 -7.936 1.00 0.44 C ATOM 2832 CG ASP B 76 -7.836 -6.537 -8.367 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.387 -5.450 -8.781 1.00 1.44 O ATOM 2834 OD2 ASP B 76 -7.135 -7.570 -8.292 1.00 1.68 O ATOM 0 H ASP B 76 -10.029 -4.216 -8.026 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.315 -6.359 -6.080 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -9.537 -7.666 -7.729 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -9.925 -6.307 -8.765 1.00 0.44 H new ATOM 2839 N PHE B 77 -7.763 -6.554 -5.448 1.00 0.40 N ATOM 2840 CA PHE B 77 -6.540 -6.506 -4.673 1.00 0.49 C ATOM 2841 C PHE B 77 -5.604 -5.384 -5.125 1.00 0.39 C ATOM 2842 O PHE B 77 -5.268 -4.495 -4.346 1.00 0.38 O ATOM 2843 CB PHE B 77 -5.841 -7.841 -4.856 1.00 0.72 C ATOM 2844 CG PHE B 77 -6.390 -8.975 -4.036 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -7.486 -8.802 -3.206 1.00 2.66 C ATOM 2846 CD2 PHE B 77 -5.798 -10.226 -4.105 1.00 2.56 C ATOM 2847 CE1 PHE B 77 -7.980 -9.855 -2.464 1.00 3.77 C ATOM 2848 CE2 PHE B 77 -6.289 -11.280 -3.365 1.00 3.67 C ATOM 2849 CZ PHE B 77 -7.380 -11.094 -2.544 1.00 4.14 C ATOM 0 H PHE B 77 -8.086 -7.503 -5.636 1.00 0.40 H new ATOM 0 HA PHE B 77 -6.790 -6.310 -3.630 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -5.894 -8.118 -5.909 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -4.786 -7.716 -4.612 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -7.958 -7.833 -3.139 1.00 2.66 H new ATOM 0 HD2 PHE B 77 -4.942 -10.377 -4.746 1.00 2.56 H new ATOM 0 HE1 PHE B 77 -8.836 -9.709 -1.821 1.00 3.77 H new ATOM 0 HE2 PHE B 77 -5.819 -12.250 -3.429 1.00 3.67 H new ATOM 0 HZ PHE B 77 -7.765 -11.919 -1.963 1.00 4.14 H new ATOM 2859 N SER B 78 -5.217 -5.418 -6.389 1.00 0.38 N ATOM 2860 CA SER B 78 -4.245 -4.478 -6.923 1.00 0.38 C ATOM 2861 C SER B 78 -4.841 -3.099 -7.187 1.00 0.38 C ATOM 2862 O SER B 78 -4.109 -2.117 -7.256 1.00 0.44 O ATOM 2863 CB SER B 78 -3.627 -5.040 -8.204 1.00 0.44 C ATOM 2864 OG SER B 78 -4.616 -5.613 -9.045 1.00 1.32 O ATOM 0 H SER B 78 -5.565 -6.093 -7.070 1.00 0.38 H new ATOM 0 HA SER B 78 -3.473 -4.348 -6.165 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.108 -4.245 -8.739 1.00 0.44 H new ATOM 0 HB3 SER B 78 -2.881 -5.793 -7.950 1.00 0.44 H new ATOM 0 HG SER B 78 -5.497 -5.261 -8.800 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.156 -3.009 -7.336 1.00 0.36 N ATOM 2871 CA GLU B 79 -6.782 -1.728 -7.642 1.00 0.42 C ATOM 2872 C GLU B 79 -7.101 -0.954 -6.369 1.00 0.33 C ATOM 2873 O GLU B 79 -7.060 0.277 -6.350 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.022 -1.920 -8.502 1.00 0.51 C ATOM 2875 CG GLU B 79 -7.715 -2.576 -9.840 1.00 0.64 C ATOM 2876 CD GLU B 79 -6.405 -2.099 -10.450 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -6.281 -0.900 -10.778 1.00 2.57 O ATOM 2878 OE2 GLU B 79 -5.487 -2.931 -10.609 1.00 2.54 O ATOM 0 H GLU B 79 -6.802 -3.794 -7.252 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.070 -1.134 -8.216 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -8.744 -2.531 -7.960 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.491 -0.952 -8.676 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.675 -3.657 -9.708 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -8.529 -2.370 -10.535 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.402 -1.677 -5.303 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.489 -1.080 -3.978 1.00 0.25 C ATOM 2887 C PHE B 80 -6.127 -0.523 -3.605 1.00 0.23 C ATOM 2888 O PHE B 80 -6.004 0.564 -3.046 1.00 0.26 O ATOM 2889 CB PHE B 80 -7.923 -2.138 -2.962 1.00 0.31 C ATOM 2890 CG PHE B 80 -7.760 -1.733 -1.523 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -8.435 -0.643 -1.009 1.00 1.60 C ATOM 2892 CD2 PHE B 80 -6.928 -2.457 -0.684 1.00 1.26 C ATOM 2893 CE1 PHE B 80 -8.285 -0.281 0.314 1.00 1.98 C ATOM 2894 CE2 PHE B 80 -6.776 -2.099 0.640 1.00 1.56 C ATOM 2895 CZ PHE B 80 -7.457 -1.010 1.139 1.00 1.64 C ATOM 0 H PHE B 80 -7.591 -2.679 -5.328 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.225 -0.276 -3.978 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -8.970 -2.384 -3.139 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.348 -3.047 -3.137 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.087 -0.068 -1.650 1.00 1.60 H new ATOM 0 HD2 PHE B 80 -6.392 -3.311 -1.071 1.00 1.26 H new ATOM 0 HE1 PHE B 80 -8.817 0.575 0.703 1.00 1.98 H new ATOM 0 HE2 PHE B 80 -6.125 -2.671 1.284 1.00 1.56 H new ATOM 0 HZ PHE B 80 -7.342 -0.728 2.175 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.105 -1.278 -3.954 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.738 -0.888 -3.690 1.00 0.26 C ATOM 2907 C LEU B 81 -3.275 0.162 -4.677 1.00 0.26 C ATOM 2908 O LEU B 81 -2.384 0.955 -4.381 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.848 -2.109 -3.759 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.192 -3.183 -2.727 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.298 -4.388 -2.906 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.097 -2.622 -1.304 1.00 0.29 C ATOM 0 H LEU B 81 -5.200 -2.177 -4.427 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.680 -0.453 -2.692 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -2.918 -2.542 -4.757 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.812 -1.801 -3.617 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.222 -3.501 -2.885 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.554 -5.145 -2.164 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.437 -4.799 -3.906 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.257 -4.091 -2.777 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.346 -3.404 -0.587 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.082 -2.270 -1.119 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.795 -1.792 -1.193 1.00 0.29 H new ATOM 2924 N ASN B 82 -3.880 0.154 -5.852 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.646 1.197 -6.837 1.00 0.26 C ATOM 2926 C ASN B 82 -4.017 2.533 -6.213 1.00 0.23 C ATOM 2927 O ASN B 82 -3.324 3.544 -6.364 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.510 0.962 -8.085 1.00 0.30 C ATOM 2929 CG ASN B 82 -4.012 1.698 -9.316 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -3.317 2.712 -9.222 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -4.391 1.207 -10.484 1.00 1.42 N ATOM 0 H ASN B 82 -4.539 -0.566 -6.148 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.598 1.188 -7.136 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -4.542 -0.106 -8.299 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -5.532 1.275 -7.873 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -4.108 1.670 -11.348 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -4.966 0.365 -10.521 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.131 2.506 -5.501 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.587 3.641 -4.732 1.00 0.24 C ATOM 2940 C LEU B 83 -4.581 4.016 -3.665 1.00 0.23 C ATOM 2941 O LEU B 83 -4.198 5.175 -3.553 1.00 0.25 O ATOM 2942 CB LEU B 83 -6.900 3.317 -4.061 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.266 4.281 -2.951 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -7.600 5.655 -3.515 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.404 3.733 -2.131 1.00 0.36 C ATOM 0 H LEU B 83 -5.743 1.692 -5.443 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.710 4.478 -5.419 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.692 3.320 -4.810 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -6.851 2.307 -3.653 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.404 4.396 -2.294 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -7.860 6.330 -2.699 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -6.736 6.048 -4.050 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.444 5.572 -4.200 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -8.654 4.438 -1.338 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.274 3.583 -2.770 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.109 2.781 -1.690 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.183 3.030 -2.868 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.176 3.232 -1.836 1.00 0.26 C ATOM 2959 C ILE B 84 -1.934 3.886 -2.436 1.00 0.27 C ATOM 2960 O ILE B 84 -1.269 4.692 -1.788 1.00 0.29 O ATOM 2961 CB ILE B 84 -2.833 1.893 -1.137 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -3.692 1.710 0.117 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.353 1.791 -0.783 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.178 1.636 -0.155 1.00 0.62 C ATOM 0 H ILE B 84 -4.546 2.078 -2.919 1.00 0.24 H new ATOM 0 HA ILE B 84 -3.577 3.903 -1.076 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.054 1.094 -1.844 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -3.381 0.798 0.627 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -3.500 2.538 0.800 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.161 0.836 -0.295 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -0.756 1.861 -1.692 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.083 2.604 -0.108 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -5.714 1.506 0.785 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -5.506 2.558 -0.636 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.386 0.791 -0.811 1.00 0.62 H new ATOM 2976 N GLY B 85 -1.661 3.554 -3.693 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.628 4.233 -4.437 1.00 0.29 C ATOM 2978 C GLY B 85 -0.850 5.733 -4.482 1.00 0.28 C ATOM 2979 O GLY B 85 0.001 6.497 -4.042 1.00 0.32 O ATOM 0 H GLY B 85 -2.144 2.819 -4.210 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.341 4.024 -3.984 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.597 3.841 -5.454 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.022 6.155 -4.950 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.284 7.576 -5.121 1.00 0.30 C ATOM 2985 C GLY B 86 -2.459 8.276 -3.792 1.00 0.29 C ATOM 2986 O GLY B 86 -2.114 9.450 -3.637 1.00 0.34 O ATOM 0 H GLY B 86 -2.793 5.542 -5.213 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.460 8.035 -5.668 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.182 7.711 -5.724 1.00 0.30 H new ATOM 2990 N LEU B 87 -2.983 7.532 -2.836 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.176 8.010 -1.478 1.00 0.25 C ATOM 2992 C LEU B 87 -1.839 8.307 -0.832 1.00 0.26 C ATOM 2993 O LEU B 87 -1.579 9.421 -0.377 1.00 0.29 O ATOM 2994 CB LEU B 87 -3.884 6.943 -0.654 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.378 6.769 -0.904 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -5.891 5.580 -0.111 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.140 8.025 -0.516 1.00 0.35 C ATOM 0 H LEU B 87 -3.290 6.570 -2.981 1.00 0.25 H new ATOM 0 HA LEU B 87 -3.777 8.919 -1.514 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.394 5.987 -0.840 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -3.740 7.175 0.401 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.537 6.591 -1.968 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -6.959 5.457 -0.290 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.364 4.679 -0.424 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -5.719 5.750 0.952 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.204 7.878 -0.703 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -5.983 8.233 0.542 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -5.781 8.866 -1.109 1.00 0.35 H new ATOM 3009 N ALA B 88 -0.987 7.294 -0.809 1.00 0.25 N ATOM 3010 CA ALA B 88 0.311 7.405 -0.180 1.00 0.27 C ATOM 3011 C ALA B 88 1.153 8.451 -0.865 1.00 0.29 C ATOM 3012 O ALA B 88 1.955 9.128 -0.231 1.00 0.35 O ATOM 3013 CB ALA B 88 1.045 6.088 -0.229 1.00 0.26 C ATOM 0 H ALA B 88 -1.177 6.381 -1.223 1.00 0.25 H new ATOM 0 HA ALA B 88 0.144 7.693 0.858 1.00 0.27 H new ATOM 0 HB1 ALA B 88 2.018 6.196 0.250 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.465 5.328 0.295 1.00 0.26 H new ATOM 0 HB3 ALA B 88 1.183 5.787 -1.267 1.00 0.26 H new ATOM 3019 N MET B 89 0.990 8.565 -2.166 1.00 0.29 N ATOM 3020 CA MET B 89 1.768 9.511 -2.931 1.00 0.32 C ATOM 3021 C MET B 89 1.419 10.936 -2.540 1.00 0.34 C ATOM 3022 O MET B 89 2.274 11.815 -2.559 1.00 0.39 O ATOM 3023 CB MET B 89 1.564 9.297 -4.426 1.00 0.34 C ATOM 3024 CG MET B 89 2.239 8.038 -4.931 1.00 0.42 C ATOM 3025 SD MET B 89 2.437 8.019 -6.723 1.00 1.03 S ATOM 3026 CE MET B 89 0.729 8.006 -7.259 1.00 1.89 C ATOM 0 H MET B 89 0.327 8.015 -2.713 1.00 0.29 H new ATOM 0 HA MET B 89 2.821 9.344 -2.705 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.496 9.243 -4.639 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.955 10.157 -4.969 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.218 7.943 -4.461 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.654 7.171 -4.626 1.00 0.42 H new ATOM 0 HE1 MET B 89 0.689 7.940 -8.346 1.00 1.89 H new ATOM 0 HE2 MET B 89 0.218 7.147 -6.824 1.00 1.89 H new ATOM 0 HE3 MET B 89 0.238 8.923 -6.933 1.00 1.89 H new ATOM 3036 N ALA B 90 0.169 11.145 -2.153 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.292 12.454 -1.718 1.00 0.39 C ATOM 3038 C ALA B 90 0.408 12.879 -0.434 1.00 0.42 C ATOM 3039 O ALA B 90 0.946 13.982 -0.341 1.00 0.49 O ATOM 3040 CB ALA B 90 -1.796 12.432 -1.511 1.00 0.46 C ATOM 0 H ALA B 90 -0.548 10.419 -2.132 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.048 13.179 -2.494 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.133 13.416 -1.185 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.288 12.172 -2.448 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.048 11.692 -0.751 1.00 0.46 H new ATOM 3046 N CYS B 91 0.413 11.987 0.548 1.00 0.41 N ATOM 3047 CA CYS B 91 1.015 12.277 1.840 1.00 0.47 C ATOM 3048 C CYS B 91 2.540 12.255 1.751 1.00 0.44 C ATOM 3049 O CYS B 91 3.215 13.043 2.407 1.00 0.51 O ATOM 3050 CB CYS B 91 0.510 11.282 2.886 1.00 0.55 C ATOM 3051 SG CYS B 91 0.750 9.557 2.428 1.00 1.76 S ATOM 0 H CYS B 91 0.006 11.055 0.473 1.00 0.41 H new ATOM 0 HA CYS B 91 0.720 13.281 2.145 1.00 0.47 H new ATOM 0 HB2 CYS B 91 1.021 11.472 3.830 1.00 0.55 H new ATOM 0 HB3 CYS B 91 -0.552 11.458 3.058 1.00 0.55 H new ATOM 0 HG CYS B 91 1.469 9.491 1.347 1.00 1.76 H new ATOM 3057 N HIS B 92 3.083 11.364 0.926 1.00 0.41 N ATOM 3058 CA HIS B 92 4.521 11.351 0.668 1.00 0.46 C ATOM 3059 C HIS B 92 4.943 12.681 0.063 1.00 0.45 C ATOM 3060 O HIS B 92 5.944 13.271 0.462 1.00 0.49 O ATOM 3061 CB HIS B 92 4.909 10.211 -0.280 1.00 0.54 C ATOM 3062 CG HIS B 92 5.176 8.898 0.393 1.00 1.21 C ATOM 3063 ND1 HIS B 92 4.199 7.958 0.624 1.00 2.12 N ATOM 3064 CD2 HIS B 92 6.329 8.356 0.850 1.00 1.96 C ATOM 3065 CE1 HIS B 92 4.736 6.895 1.191 1.00 2.74 C ATOM 3066 NE2 HIS B 92 6.029 7.110 1.341 1.00 2.62 N ATOM 0 H HIS B 92 2.555 10.647 0.428 1.00 0.41 H new ATOM 0 HA HIS B 92 5.034 11.193 1.617 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.109 10.074 -1.008 1.00 0.54 H new ATOM 0 HB3 HIS B 92 5.799 10.506 -0.836 1.00 0.54 H new ATOM 0 HD1 HIS B 92 3.212 8.066 0.393 1.00 2.12 H new ATOM 0 HD2 HIS B 92 7.305 8.819 0.832 1.00 1.96 H new ATOM 0 HE1 HIS B 92 4.207 6.000 1.483 1.00 2.74 H new ATOM 3075 N ASP B 93 4.153 13.148 -0.894 1.00 0.45 N ATOM 3076 CA ASP B 93 4.378 14.437 -1.534 1.00 0.52 C ATOM 3077 C ASP B 93 4.280 15.561 -0.514 1.00 0.56 C ATOM 3078 O ASP B 93 5.054 16.510 -0.548 1.00 0.65 O ATOM 3079 CB ASP B 93 3.352 14.639 -2.651 1.00 0.54 C ATOM 3080 CG ASP B 93 3.434 16.000 -3.304 1.00 0.92 C ATOM 3081 OD1 ASP B 93 4.227 16.159 -4.253 1.00 1.48 O ATOM 3082 OD2 ASP B 93 2.683 16.910 -2.891 1.00 1.74 O ATOM 0 H ASP B 93 3.339 12.645 -1.248 1.00 0.45 H new ATOM 0 HA ASP B 93 5.380 14.453 -1.962 1.00 0.52 H new ATOM 0 HB2 ASP B 93 3.497 13.871 -3.410 1.00 0.54 H new ATOM 0 HB3 ASP B 93 2.351 14.500 -2.244 1.00 0.54 H new ATOM 3087 N SER B 94 3.338 15.425 0.406 1.00 0.54 N ATOM 3088 CA SER B 94 3.153 16.389 1.479 1.00 0.60 C ATOM 3089 C SER B 94 4.444 16.536 2.265 1.00 0.63 C ATOM 3090 O SER B 94 4.906 17.640 2.527 1.00 0.70 O ATOM 3091 CB SER B 94 2.040 15.911 2.410 1.00 0.65 C ATOM 3092 OG SER B 94 1.689 16.902 3.361 1.00 1.26 O ATOM 0 H SER B 94 2.681 14.645 0.430 1.00 0.54 H new ATOM 0 HA SER B 94 2.880 17.354 1.052 1.00 0.60 H new ATOM 0 HB2 SER B 94 1.162 15.645 1.821 1.00 0.65 H new ATOM 0 HB3 SER B 94 2.362 15.008 2.928 1.00 0.65 H new ATOM 0 HG SER B 94 0.973 16.563 3.938 1.00 1.26 H new ATOM 3098 N PHE B 95 5.031 15.400 2.602 1.00 0.60 N ATOM 3099 CA PHE B 95 6.265 15.355 3.366 1.00 0.67 C ATOM 3100 C PHE B 95 7.415 15.960 2.580 1.00 0.73 C ATOM 3101 O PHE B 95 8.219 16.705 3.119 1.00 0.84 O ATOM 3102 CB PHE B 95 6.588 13.913 3.743 1.00 0.64 C ATOM 3103 CG PHE B 95 5.923 13.460 5.013 1.00 0.78 C ATOM 3104 CD1 PHE B 95 4.562 13.210 5.054 1.00 1.80 C ATOM 3105 CD2 PHE B 95 6.663 13.291 6.169 1.00 1.29 C ATOM 3106 CE1 PHE B 95 3.953 12.801 6.224 1.00 2.35 C ATOM 3107 CE2 PHE B 95 6.061 12.882 7.342 1.00 1.76 C ATOM 3108 CZ PHE B 95 4.705 12.636 7.369 1.00 2.07 C ATOM 0 H PHE B 95 4.664 14.481 2.353 1.00 0.60 H new ATOM 0 HA PHE B 95 6.129 15.943 4.274 1.00 0.67 H new ATOM 0 HB2 PHE B 95 6.283 13.256 2.928 1.00 0.64 H new ATOM 0 HB3 PHE B 95 7.668 13.807 3.850 1.00 0.64 H new ATOM 0 HD1 PHE B 95 3.969 13.336 4.160 1.00 1.80 H new ATOM 0 HD2 PHE B 95 7.726 13.482 6.154 1.00 1.29 H new ATOM 0 HE1 PHE B 95 2.890 12.611 6.243 1.00 2.35 H new ATOM 0 HE2 PHE B 95 6.652 12.755 8.237 1.00 1.76 H new ATOM 0 HZ PHE B 95 4.232 12.315 8.285 1.00 2.07 H new