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: B 66 LYS NZ :NH3+ 154:sc= 0.126 (180deg=-0.303) USER MOD Set 1.2: B 82 ASN : amide:sc= 0.158 K(o=0.28,f=-5.5!) USER MOD Set 2.1: B 44 ASN : amide:sc= 0.663 K(o=1.6,f=-4.8) USER MOD Set 2.2: B 52 LYS NZ :NH3+ 158:sc= 0.911 (180deg=0) USER MOD Set 3.1: B 36 LYS NZ :NH3+ -149:sc= 1.24 (180deg=0.258) USER MOD Set 3.2: B 64 MET CE :methyl 179:sc= -1.53 (180deg=-1.54) USER MOD Set 4.1: B 23 LYS NZ :NH3+ -165:sc= 0.644 (180deg=0.471) USER MOD Set 4.2: B 24 TYR OH : rot -76:sc= 1.08 USER MOD Set 4.3: B 45 THR OG1 : rot -73:sc= 2.18 USER MOD Set 5.1: A 66 LYS NZ :NH3+ 149:sc= 0.106 (180deg=-0.294) USER MOD Set 5.2: A 82 ASN : amide:sc= 0.195 K(o=0.3,f=-5.3!) USER MOD Set 6.1: A 36 LYS NZ :NH3+ -149:sc= 1.35 (180deg=0.206) USER MOD Set 6.2: A 64 MET CE :methyl 139:sc= -1.44 (180deg=-1.66) USER MOD Set 7.1: A 44 ASN : amide:sc= 0.587 K(o=1.5,f=-4.5) USER MOD Set 7.2: A 52 LYS NZ :NH3+ 158:sc= 0.878 (180deg=0) USER MOD Set 8.1: A 23 LYS NZ :NH3+ -166:sc= 0.62 (180deg=0.448) USER MOD Set 8.2: A 24 TYR OH : rot -57:sc= 1.19 USER MOD Set 8.3: A 45 THR OG1 : rot -76:sc= 2.22 USER MOD Set 9.1: A 13 CYS SG : rot 100:sc= -7.25! USER MOD Set 9.2: B 13 CYS SG : rot 96:sc= -7.2! USER MOD Single : A 8 THR OG1 : rot -149:sc= -1.48! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 82:sc= 1.27 USER MOD Single : A 22 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.2) USER MOD Single : A 33 THR OG1 : rot -3:sc= 0.828 USER MOD Single : A 35 SER OG : rot 180:sc=-0.00951 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 72:sc= 1.04 USER MOD Single : A 43 MET CE :methyl 157:sc= -0.242 (180deg=-0.76) USER MOD Single : A 51 THR OG1 : rot 125:sc= 0.255 USER MOD Single : A 63 MET CE :methyl 144:sc= -0.2 (180deg=-1.87!) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.19) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 71 SER OG : rot -53:sc= 0.478 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.53 F(o=-2.4,f=-0.53) USER MOD Single : A 78 SER OG : rot -14:sc= 1.19 USER MOD Single : A 89 MET CE :methyl 155:sc= -0.516 (180deg=-1.35) USER MOD Single : A 91 CYS SG : rot 160:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.217 K(o=-0.22,f=-1.9!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot -147:sc= -1.42! USER MOD Single : B 10 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 83:sc= 1.28 USER MOD Single : B 22 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.2) USER MOD Single : B 33 THR OG1 : rot -11:sc= 0.798 USER MOD Single : B 35 SER OG : rot 180:sc=-0.00606 USER MOD Single : B 37 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 70:sc= 1.13 USER MOD Single : B 43 MET CE :methyl 157:sc= -0.251 (180deg=-0.737) USER MOD Single : B 51 THR OG1 : rot 136:sc= 0.0818 USER MOD Single : B 63 MET CE :methyl 145:sc= -0.181 (180deg=-1.85!) USER MOD Single : B 65 LYS NZ :NH3+ -154:sc= 1.27 (180deg=1.13) USER MOD Single : B 69 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : B 71 SER OG : rot -50:sc= 0.463 USER MOD Single : B 74 GLN :FLIP amide:sc= -0.541 F(o=-2.4,f=-0.54) USER MOD Single : B 78 SER OG : rot 0:sc= 1.3 USER MOD Single : B 89 MET CE :methyl 156:sc= -0.464 (180deg=-1.32) USER MOD Single : B 91 CYS SG : rot 160:sc= -0.0129 USER MOD Single : B 92 HIS : no HD1:sc= -0.217 K(o=-0.22,f=-1.8!) USER MOD Single : B 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N PRO A 7 -5.810 9.318 11.605 1.00 0.69 N ATOM 94 CA PRO A 7 -5.845 8.410 10.463 1.00 0.54 C ATOM 95 C PRO A 7 -6.561 7.109 10.805 1.00 0.44 C ATOM 96 O PRO A 7 -6.682 6.737 11.976 1.00 0.56 O ATOM 97 CB PRO A 7 -4.367 8.139 10.239 1.00 0.61 C ATOM 98 CG PRO A 7 -3.856 8.027 11.623 1.00 0.75 C ATOM 99 CD PRO A 7 -4.560 9.122 12.384 1.00 0.82 C ATOM 0 HA PRO A 7 -6.373 8.821 9.602 1.00 0.54 H new ATOM 0 HB2 PRO A 7 -4.203 7.224 9.669 1.00 0.61 H new ATOM 0 HB3 PRO A 7 -3.883 8.947 9.691 1.00 0.61 H new ATOM 0 HG2 PRO A 7 -4.075 7.047 12.047 1.00 0.75 H new ATOM 0 HG3 PRO A 7 -2.774 8.155 11.657 1.00 0.75 H new ATOM 0 HD2 PRO A 7 -4.767 8.829 13.413 1.00 0.82 H new ATOM 0 HD3 PRO A 7 -3.963 10.033 12.426 1.00 0.82 H new ATOM 107 N THR A 8 -7.033 6.424 9.790 1.00 0.34 N ATOM 108 CA THR A 8 -7.619 5.114 9.970 1.00 0.27 C ATOM 109 C THR A 8 -6.555 4.049 9.780 1.00 0.28 C ATOM 110 O THR A 8 -5.379 4.380 9.612 1.00 0.35 O ATOM 111 CB THR A 8 -8.745 4.898 8.968 1.00 0.28 C ATOM 112 OG1 THR A 8 -8.204 4.847 7.644 1.00 0.36 O ATOM 113 CG2 THR A 8 -9.749 6.027 9.079 1.00 0.32 C ATOM 0 H THR A 8 -7.023 6.754 8.825 1.00 0.34 H new ATOM 0 HA THR A 8 -8.027 5.045 10.979 1.00 0.27 H new ATOM 0 HB THR A 8 -9.248 3.955 9.183 1.00 0.28 H new ATOM 0 HG1 THR A 8 -8.861 5.201 7.008 1.00 0.36 H new ATOM 0 HG21 THR A 8 -10.554 5.870 8.361 1.00 0.32 H new ATOM 0 HG22 THR A 8 -10.162 6.049 10.088 1.00 0.32 H new ATOM 0 HG23 THR A 8 -9.255 6.975 8.869 1.00 0.32 H new ATOM 121 N GLU A 9 -6.961 2.786 9.780 1.00 0.28 N ATOM 122 CA GLU A 9 -6.018 1.685 9.620 1.00 0.33 C ATOM 123 C GLU A 9 -5.199 1.868 8.352 1.00 0.36 C ATOM 124 O GLU A 9 -3.976 1.845 8.395 1.00 0.52 O ATOM 125 CB GLU A 9 -6.749 0.343 9.571 1.00 0.40 C ATOM 126 CG GLU A 9 -5.805 -0.848 9.548 1.00 0.56 C ATOM 127 CD GLU A 9 -5.084 -1.035 10.861 1.00 1.73 C ATOM 128 OE1 GLU A 9 -5.692 -1.576 11.808 1.00 2.47 O ATOM 129 OE2 GLU A 9 -3.907 -0.651 10.954 1.00 2.48 O ATOM 0 H GLU A 9 -7.934 2.498 9.889 1.00 0.28 H new ATOM 0 HA GLU A 9 -5.350 1.688 10.482 1.00 0.33 H new ATOM 0 HB2 GLU A 9 -7.406 0.262 10.437 1.00 0.40 H new ATOM 0 HB3 GLU A 9 -7.384 0.314 8.685 1.00 0.40 H new ATOM 0 HG2 GLU A 9 -6.369 -1.751 9.314 1.00 0.56 H new ATOM 0 HG3 GLU A 9 -5.074 -0.714 8.751 1.00 0.56 H new ATOM 136 N THR A 10 -5.874 2.098 7.239 1.00 0.26 N ATOM 137 CA THR A 10 -5.202 2.245 5.960 1.00 0.27 C ATOM 138 C THR A 10 -4.407 3.533 5.909 1.00 0.27 C ATOM 139 O THR A 10 -3.319 3.555 5.353 1.00 0.31 O ATOM 140 CB THR A 10 -6.195 2.191 4.774 1.00 0.27 C ATOM 141 OG1 THR A 10 -5.591 2.718 3.585 1.00 0.40 O ATOM 142 CG2 THR A 10 -7.470 2.957 5.098 1.00 0.25 C ATOM 0 H THR A 10 -6.889 2.187 7.196 1.00 0.26 H new ATOM 0 HA THR A 10 -4.518 1.402 5.865 1.00 0.27 H new ATOM 0 HB THR A 10 -6.455 1.147 4.601 1.00 0.27 H new ATOM 0 HG1 THR A 10 -6.232 2.675 2.845 1.00 0.40 H new ATOM 0 HG21 THR A 10 -8.152 2.904 4.249 1.00 0.25 H new ATOM 0 HG22 THR A 10 -7.946 2.517 5.974 1.00 0.25 H new ATOM 0 HG23 THR A 10 -7.226 3.999 5.303 1.00 0.25 H new ATOM 150 N GLU A 11 -4.922 4.595 6.510 1.00 0.25 N ATOM 151 CA GLU A 11 -4.249 5.882 6.438 1.00 0.27 C ATOM 152 C GLU A 11 -2.952 5.866 7.220 1.00 0.30 C ATOM 153 O GLU A 11 -1.912 6.283 6.719 1.00 0.32 O ATOM 154 CB GLU A 11 -5.138 6.993 6.952 1.00 0.29 C ATOM 155 CG GLU A 11 -6.484 7.021 6.286 1.00 0.41 C ATOM 156 CD GLU A 11 -7.206 8.327 6.518 1.00 1.11 C ATOM 157 OE1 GLU A 11 -7.658 8.562 7.657 1.00 1.85 O ATOM 158 OE2 GLU A 11 -7.299 9.131 5.570 1.00 1.71 O ATOM 0 H GLU A 11 -5.790 4.593 7.045 1.00 0.25 H new ATOM 0 HA GLU A 11 -4.024 6.069 5.388 1.00 0.27 H new ATOM 0 HB2 GLU A 11 -5.273 6.875 8.027 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.641 7.951 6.796 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -6.361 6.860 5.215 1.00 0.41 H new ATOM 0 HG3 GLU A 11 -7.092 6.199 6.664 1.00 0.41 H new ATOM 165 N ARG A 12 -3.012 5.369 8.441 1.00 0.35 N ATOM 166 CA ARG A 12 -1.825 5.286 9.275 1.00 0.42 C ATOM 167 C ARG A 12 -0.840 4.309 8.658 1.00 0.43 C ATOM 168 O ARG A 12 0.370 4.494 8.731 1.00 0.47 O ATOM 169 CB ARG A 12 -2.182 4.895 10.721 1.00 0.48 C ATOM 170 CG ARG A 12 -2.854 3.536 10.896 1.00 0.49 C ATOM 171 CD ARG A 12 -1.868 2.388 10.774 1.00 0.56 C ATOM 172 NE ARG A 12 -2.279 1.233 11.568 1.00 1.08 N ATOM 173 CZ ARG A 12 -1.825 0.961 12.790 1.00 1.35 C ATOM 174 NH1 ARG A 12 -0.921 1.745 13.367 1.00 1.86 N ATOM 175 NH2 ARG A 12 -2.278 -0.107 13.434 1.00 1.95 N ATOM 0 H ARG A 12 -3.865 5.018 8.877 1.00 0.35 H new ATOM 0 HA ARG A 12 -1.357 6.269 9.323 1.00 0.42 H new ATOM 0 HB2 ARG A 12 -1.269 4.907 11.316 1.00 0.48 H new ATOM 0 HB3 ARG A 12 -2.840 5.660 11.132 1.00 0.48 H new ATOM 0 HG2 ARG A 12 -3.338 3.495 11.872 1.00 0.49 H new ATOM 0 HG3 ARG A 12 -3.637 3.421 10.147 1.00 0.49 H new ATOM 0 HD2 ARG A 12 -1.778 2.096 9.728 1.00 0.56 H new ATOM 0 HD3 ARG A 12 -0.882 2.720 11.099 1.00 0.56 H new ATOM 0 HE ARG A 12 -2.959 0.592 11.159 1.00 1.08 H new ATOM 0 HH11 ARG A 12 -0.568 2.565 12.874 1.00 1.86 H new ATOM 0 HH12 ARG A 12 -0.580 1.527 14.303 1.00 1.86 H new ATOM 0 HH21 ARG A 12 -2.969 -0.713 12.993 1.00 1.95 H new ATOM 0 HH22 ARG A 12 -1.935 -0.322 14.370 1.00 1.95 H new ATOM 189 N CYS A 13 -1.387 3.286 8.022 1.00 0.42 N ATOM 190 CA CYS A 13 -0.594 2.274 7.357 1.00 0.44 C ATOM 191 C CYS A 13 0.069 2.873 6.134 1.00 0.30 C ATOM 192 O CYS A 13 1.218 2.572 5.814 1.00 0.29 O ATOM 193 CB CYS A 13 -1.499 1.097 6.996 1.00 0.57 C ATOM 194 SG CYS A 13 -1.787 -0.037 8.371 1.00 2.16 S ATOM 0 H CYS A 13 -2.394 3.137 7.954 1.00 0.42 H new ATOM 0 HA CYS A 13 0.196 1.909 8.014 1.00 0.44 H new ATOM 0 HB2 CYS A 13 -2.457 1.480 6.644 1.00 0.57 H new ATOM 0 HB3 CYS A 13 -1.053 0.546 6.168 1.00 0.57 H new ATOM 0 HG CYS A 13 -2.943 0.218 8.909 1.00 2.16 H new ATOM 200 N ILE A 14 -0.664 3.756 5.489 1.00 0.26 N ATOM 201 CA ILE A 14 -0.160 4.536 4.385 1.00 0.24 C ATOM 202 C ILE A 14 1.031 5.392 4.821 1.00 0.21 C ATOM 203 O ILE A 14 2.052 5.458 4.136 1.00 0.23 O ATOM 204 CB ILE A 14 -1.283 5.438 3.830 1.00 0.24 C ATOM 205 CG1 ILE A 14 -2.167 4.674 2.840 1.00 0.25 C ATOM 206 CG2 ILE A 14 -0.722 6.697 3.193 1.00 0.27 C ATOM 207 CD1 ILE A 14 -3.429 5.420 2.492 1.00 0.27 C ATOM 0 H ILE A 14 -1.638 3.952 5.721 1.00 0.26 H new ATOM 0 HA ILE A 14 0.177 3.854 3.604 1.00 0.24 H new ATOM 0 HB ILE A 14 -1.903 5.741 4.673 1.00 0.24 H new ATOM 0 HG12 ILE A 14 -1.601 4.480 1.929 1.00 0.25 H new ATOM 0 HG13 ILE A 14 -2.428 3.705 3.265 1.00 0.25 H new ATOM 0 HG21 ILE A 14 -1.541 7.308 2.813 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -0.162 7.263 3.937 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -0.060 6.425 2.371 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -4.017 4.832 1.787 1.00 0.27 H new ATOM 0 HD12 ILE A 14 -4.012 5.591 3.397 1.00 0.27 H new ATOM 0 HD13 ILE A 14 -3.172 6.378 2.040 1.00 0.27 H new ATOM 219 N GLU A 15 0.903 6.015 5.987 1.00 0.24 N ATOM 220 CA GLU A 15 1.924 6.916 6.488 1.00 0.28 C ATOM 221 C GLU A 15 3.111 6.129 6.959 1.00 0.30 C ATOM 222 O GLU A 15 4.227 6.631 7.015 1.00 0.34 O ATOM 223 CB GLU A 15 1.406 7.724 7.660 1.00 0.32 C ATOM 224 CG GLU A 15 0.147 8.517 7.355 1.00 0.33 C ATOM 225 CD GLU A 15 -0.283 9.387 8.518 1.00 0.38 C ATOM 226 OE1 GLU A 15 -0.242 8.913 9.675 1.00 1.26 O ATOM 227 OE2 GLU A 15 -0.665 10.553 8.284 1.00 1.06 O ATOM 0 H GLU A 15 0.097 5.909 6.603 1.00 0.24 H new ATOM 0 HA GLU A 15 2.203 7.586 5.675 1.00 0.28 H new ATOM 0 HB2 GLU A 15 1.206 7.050 8.493 1.00 0.32 H new ATOM 0 HB3 GLU A 15 2.186 8.412 7.987 1.00 0.32 H new ATOM 0 HG2 GLU A 15 0.319 9.144 6.480 1.00 0.33 H new ATOM 0 HG3 GLU A 15 -0.660 7.829 7.101 1.00 0.33 H new ATOM 234 N SER A 16 2.853 4.896 7.319 1.00 0.31 N ATOM 235 CA SER A 16 3.896 4.041 7.796 1.00 0.38 C ATOM 236 C SER A 16 4.755 3.582 6.629 1.00 0.29 C ATOM 237 O SER A 16 5.961 3.423 6.765 1.00 0.28 O ATOM 238 CB SER A 16 3.305 2.870 8.562 1.00 0.54 C ATOM 239 OG SER A 16 2.518 3.329 9.649 1.00 0.97 O ATOM 0 H SER A 16 1.928 4.468 7.289 1.00 0.31 H new ATOM 0 HA SER A 16 4.536 4.591 8.486 1.00 0.38 H new ATOM 0 HB2 SER A 16 2.693 2.263 7.894 1.00 0.54 H new ATOM 0 HB3 SER A 16 4.106 2.229 8.931 1.00 0.54 H new ATOM 0 HG SER A 16 1.627 3.578 9.326 1.00 0.97 H new ATOM 245 N LEU A 17 4.132 3.412 5.468 1.00 0.27 N ATOM 246 CA LEU A 17 4.876 3.168 4.239 1.00 0.28 C ATOM 247 C LEU A 17 5.718 4.391 3.930 1.00 0.27 C ATOM 248 O LEU A 17 6.853 4.281 3.491 1.00 0.32 O ATOM 249 CB LEU A 17 3.930 2.885 3.076 1.00 0.29 C ATOM 250 CG LEU A 17 2.852 1.851 3.371 1.00 0.33 C ATOM 251 CD1 LEU A 17 1.883 1.732 2.207 1.00 0.33 C ATOM 252 CD2 LEU A 17 3.474 0.498 3.693 1.00 0.46 C ATOM 0 H LEU A 17 3.119 3.439 5.353 1.00 0.27 H new ATOM 0 HA LEU A 17 5.514 2.294 4.375 1.00 0.28 H new ATOM 0 HB2 LEU A 17 3.449 3.818 2.781 1.00 0.29 H new ATOM 0 HB3 LEU A 17 4.517 2.545 2.222 1.00 0.29 H new ATOM 0 HG LEU A 17 2.293 2.186 4.245 1.00 0.33 H new ATOM 0 HD11 LEU A 17 1.122 0.987 2.442 1.00 0.33 H new ATOM 0 HD12 LEU A 17 1.405 2.696 2.031 1.00 0.33 H new ATOM 0 HD13 LEU A 17 2.425 1.427 1.312 1.00 0.33 H new ATOM 0 HD21 LEU A 17 2.685 -0.225 3.900 1.00 0.46 H new ATOM 0 HD22 LEU A 17 4.064 0.157 2.842 1.00 0.46 H new ATOM 0 HD23 LEU A 17 4.118 0.593 4.567 1.00 0.46 H new ATOM 264 N ILE A 18 5.136 5.562 4.184 1.00 0.27 N ATOM 265 CA ILE A 18 5.848 6.824 4.072 1.00 0.30 C ATOM 266 C ILE A 18 7.057 6.822 4.994 1.00 0.28 C ATOM 267 O ILE A 18 8.149 7.205 4.595 1.00 0.30 O ATOM 268 CB ILE A 18 4.928 8.018 4.425 1.00 0.36 C ATOM 269 CG1 ILE A 18 3.820 8.156 3.382 1.00 0.63 C ATOM 270 CG2 ILE A 18 5.729 9.305 4.537 1.00 0.47 C ATOM 271 CD1 ILE A 18 2.880 9.309 3.640 1.00 1.37 C ATOM 0 H ILE A 18 4.162 5.658 4.472 1.00 0.27 H new ATOM 0 HA ILE A 18 6.176 6.936 3.038 1.00 0.30 H new ATOM 0 HB ILE A 18 4.469 7.826 5.395 1.00 0.36 H new ATOM 0 HG12 ILE A 18 4.273 8.282 2.399 1.00 0.63 H new ATOM 0 HG13 ILE A 18 3.245 7.230 3.352 1.00 0.63 H new ATOM 0 HG21 ILE A 18 5.060 10.129 4.786 1.00 0.47 H new ATOM 0 HG22 ILE A 18 6.481 9.199 5.319 1.00 0.47 H new ATOM 0 HG23 ILE A 18 6.221 9.511 3.587 1.00 0.47 H new ATOM 0 HD11 ILE A 18 2.121 9.342 2.858 1.00 1.37 H new ATOM 0 HD12 ILE A 18 2.398 9.175 4.608 1.00 1.37 H new ATOM 0 HD13 ILE A 18 3.442 10.243 3.640 1.00 1.37 H new ATOM 283 N ALA A 19 6.844 6.365 6.217 1.00 0.25 N ATOM 284 CA ALA A 19 7.894 6.310 7.219 1.00 0.25 C ATOM 285 C ALA A 19 9.009 5.355 6.806 1.00 0.23 C ATOM 286 O ALA A 19 10.170 5.752 6.740 1.00 0.28 O ATOM 287 CB ALA A 19 7.308 5.905 8.563 1.00 0.28 C ATOM 0 H ALA A 19 5.940 6.022 6.542 1.00 0.25 H new ATOM 0 HA ALA A 19 8.333 7.304 7.309 1.00 0.25 H new ATOM 0 HB1 ALA A 19 8.102 5.866 9.309 1.00 0.28 H new ATOM 0 HB2 ALA A 19 6.559 6.635 8.868 1.00 0.28 H new ATOM 0 HB3 ALA A 19 6.843 4.923 8.476 1.00 0.28 H new ATOM 293 N VAL A 20 8.653 4.106 6.508 1.00 0.20 N ATOM 294 CA VAL A 20 9.643 3.097 6.143 1.00 0.22 C ATOM 295 C VAL A 20 10.355 3.493 4.858 1.00 0.23 C ATOM 296 O VAL A 20 11.569 3.321 4.724 1.00 0.27 O ATOM 297 CB VAL A 20 9.016 1.690 5.990 1.00 0.27 C ATOM 298 CG1 VAL A 20 8.078 1.422 7.129 1.00 0.87 C ATOM 299 CG2 VAL A 20 8.283 1.522 4.670 1.00 0.87 C ATOM 0 H VAL A 20 7.690 3.771 6.512 1.00 0.20 H new ATOM 0 HA VAL A 20 10.366 3.047 6.957 1.00 0.22 H new ATOM 0 HB VAL A 20 9.834 0.969 6.002 1.00 0.27 H new ATOM 0 HG11 VAL A 20 7.641 0.430 7.015 1.00 0.87 H new ATOM 0 HG12 VAL A 20 8.625 1.471 8.070 1.00 0.87 H new ATOM 0 HG13 VAL A 20 7.285 2.170 7.131 1.00 0.87 H new ATOM 0 HG21 VAL A 20 7.862 0.518 4.613 1.00 0.87 H new ATOM 0 HG22 VAL A 20 7.480 2.256 4.603 1.00 0.87 H new ATOM 0 HG23 VAL A 20 8.980 1.671 3.845 1.00 0.87 H new ATOM 309 N PHE A 21 9.593 4.038 3.923 1.00 0.23 N ATOM 310 CA PHE A 21 10.172 4.546 2.686 1.00 0.25 C ATOM 311 C PHE A 21 11.158 5.665 2.986 1.00 0.29 C ATOM 312 O PHE A 21 12.274 5.665 2.486 1.00 0.35 O ATOM 313 CB PHE A 21 9.086 5.059 1.741 1.00 0.26 C ATOM 314 CG PHE A 21 9.620 5.631 0.458 1.00 0.91 C ATOM 315 CD1 PHE A 21 9.941 4.802 -0.600 1.00 1.59 C ATOM 316 CD2 PHE A 21 9.797 6.996 0.311 1.00 1.85 C ATOM 317 CE1 PHE A 21 10.431 5.321 -1.781 1.00 2.17 C ATOM 318 CE2 PHE A 21 10.287 7.521 -0.867 1.00 2.48 C ATOM 319 CZ PHE A 21 10.603 6.682 -1.915 1.00 2.40 C ATOM 0 H PHE A 21 8.581 4.140 3.994 1.00 0.23 H new ATOM 0 HA PHE A 21 10.696 3.723 2.199 1.00 0.25 H new ATOM 0 HB2 PHE A 21 8.404 4.241 1.507 1.00 0.26 H new ATOM 0 HB3 PHE A 21 8.502 5.824 2.254 1.00 0.26 H new ATOM 0 HD1 PHE A 21 9.807 3.735 -0.501 1.00 1.59 H new ATOM 0 HD2 PHE A 21 9.549 7.658 1.128 1.00 1.85 H new ATOM 0 HE1 PHE A 21 10.679 4.662 -2.599 1.00 2.17 H new ATOM 0 HE2 PHE A 21 10.423 8.588 -0.968 1.00 2.48 H new ATOM 0 HZ PHE A 21 10.985 7.091 -2.839 1.00 2.40 H new ATOM 329 N GLN A 22 10.747 6.593 3.834 1.00 0.30 N ATOM 330 CA GLN A 22 11.522 7.790 4.102 1.00 0.37 C ATOM 331 C GLN A 22 12.787 7.505 4.899 1.00 0.36 C ATOM 332 O GLN A 22 13.736 8.286 4.850 1.00 0.44 O ATOM 333 CB GLN A 22 10.658 8.820 4.828 1.00 0.47 C ATOM 334 CG GLN A 22 10.036 9.840 3.892 1.00 1.12 C ATOM 335 CD GLN A 22 9.154 10.843 4.603 1.00 1.98 C ATOM 336 OE1 GLN A 22 8.519 10.530 5.604 1.00 2.68 O ATOM 337 NE2 GLN A 22 9.124 12.065 4.095 1.00 2.66 N ATOM 0 H GLN A 22 9.871 6.537 4.353 1.00 0.30 H new ATOM 0 HA GLN A 22 11.840 8.190 3.139 1.00 0.37 H new ATOM 0 HB2 GLN A 22 9.866 8.304 5.371 1.00 0.47 H new ATOM 0 HB3 GLN A 22 11.267 9.339 5.569 1.00 0.47 H new ATOM 0 HG2 GLN A 22 10.829 10.372 3.366 1.00 1.12 H new ATOM 0 HG3 GLN A 22 9.447 9.319 3.137 1.00 1.12 H new ATOM 0 HE21 GLN A 22 9.668 12.284 3.260 1.00 2.66 H new ATOM 0 HE22 GLN A 22 8.557 12.788 4.538 1.00 2.66 H new ATOM 346 N LYS A 23 12.822 6.399 5.628 1.00 0.35 N ATOM 347 CA LYS A 23 13.994 6.089 6.415 1.00 0.39 C ATOM 348 C LYS A 23 15.031 5.315 5.600 1.00 0.40 C ATOM 349 O LYS A 23 16.224 5.402 5.873 1.00 0.49 O ATOM 350 CB LYS A 23 13.610 5.361 7.709 1.00 0.41 C ATOM 351 CG LYS A 23 12.662 4.195 7.528 1.00 0.42 C ATOM 352 CD LYS A 23 13.322 2.888 7.874 1.00 0.63 C ATOM 353 CE LYS A 23 12.414 2.047 8.750 1.00 0.63 C ATOM 354 NZ LYS A 23 13.009 0.726 9.089 1.00 0.91 N ATOM 0 H LYS A 23 12.066 5.717 5.688 1.00 0.35 H new ATOM 0 HA LYS A 23 14.464 7.030 6.702 1.00 0.39 H new ATOM 0 HB2 LYS A 23 14.520 5.000 8.189 1.00 0.41 H new ATOM 0 HB3 LYS A 23 13.154 6.079 8.391 1.00 0.41 H new ATOM 0 HG2 LYS A 23 11.784 4.338 8.157 1.00 0.42 H new ATOM 0 HG3 LYS A 23 12.313 4.165 6.496 1.00 0.42 H new ATOM 0 HD2 LYS A 23 13.562 2.343 6.961 1.00 0.63 H new ATOM 0 HD3 LYS A 23 14.263 3.075 8.391 1.00 0.63 H new ATOM 0 HE2 LYS A 23 12.197 2.590 9.670 1.00 0.63 H new ATOM 0 HE3 LYS A 23 11.463 1.893 8.239 1.00 0.63 H new ATOM 0 HZ1 LYS A 23 12.273 0.104 9.479 1.00 0.91 H new ATOM 0 HZ2 LYS A 23 13.408 0.294 8.231 1.00 0.91 H new ATOM 0 HZ3 LYS A 23 13.763 0.855 9.794 1.00 0.91 H new ATOM 368 N TYR A 24 14.589 4.558 4.600 1.00 0.36 N ATOM 369 CA TYR A 24 15.532 3.908 3.694 1.00 0.39 C ATOM 370 C TYR A 24 15.919 4.818 2.533 1.00 0.34 C ATOM 371 O TYR A 24 17.092 4.945 2.199 1.00 0.40 O ATOM 372 CB TYR A 24 14.980 2.584 3.181 1.00 0.46 C ATOM 373 CG TYR A 24 14.964 1.518 4.245 1.00 0.86 C ATOM 374 CD1 TYR A 24 16.128 0.849 4.598 1.00 1.52 C ATOM 375 CD2 TYR A 24 13.797 1.201 4.918 1.00 1.67 C ATOM 376 CE1 TYR A 24 16.125 -0.111 5.590 1.00 1.83 C ATOM 377 CE2 TYR A 24 13.787 0.249 5.914 1.00 1.99 C ATOM 378 CZ TYR A 24 14.951 -0.404 6.246 1.00 1.72 C ATOM 379 OH TYR A 24 14.940 -1.341 7.252 1.00 2.15 O ATOM 0 H TYR A 24 13.605 4.381 4.398 1.00 0.36 H new ATOM 0 HA TYR A 24 16.436 3.701 4.266 1.00 0.39 H new ATOM 0 HB2 TYR A 24 13.967 2.736 2.807 1.00 0.46 H new ATOM 0 HB3 TYR A 24 15.583 2.244 2.339 1.00 0.46 H new ATOM 0 HD1 TYR A 24 17.051 1.083 4.088 1.00 1.52 H new ATOM 0 HD2 TYR A 24 12.879 1.708 4.658 1.00 1.67 H new ATOM 0 HE1 TYR A 24 17.037 -0.628 5.849 1.00 1.83 H new ATOM 0 HE2 TYR A 24 12.868 0.016 6.432 1.00 1.99 H new ATOM 0 HH TYR A 24 15.277 -2.195 6.908 1.00 2.15 H new ATOM 389 N ALA A 25 14.931 5.456 1.925 1.00 0.29 N ATOM 390 CA ALA A 25 15.177 6.356 0.806 1.00 0.34 C ATOM 391 C ALA A 25 15.886 7.618 1.277 1.00 0.47 C ATOM 392 O ALA A 25 16.607 8.261 0.515 1.00 0.58 O ATOM 393 CB ALA A 25 13.868 6.700 0.113 1.00 0.37 C ATOM 0 H ALA A 25 13.949 5.368 2.187 1.00 0.29 H new ATOM 0 HA ALA A 25 15.826 5.852 0.090 1.00 0.34 H new ATOM 0 HB1 ALA A 25 14.064 7.373 -0.722 1.00 0.37 H new ATOM 0 HB2 ALA A 25 13.402 5.787 -0.259 1.00 0.37 H new ATOM 0 HB3 ALA A 25 13.198 7.187 0.822 1.00 0.37 H new ATOM 399 N GLY A 26 15.690 7.955 2.548 1.00 0.49 N ATOM 400 CA GLY A 26 16.344 9.114 3.125 1.00 0.64 C ATOM 401 C GLY A 26 17.847 8.933 3.224 1.00 0.75 C ATOM 402 O GLY A 26 18.591 9.907 3.341 1.00 0.96 O ATOM 0 H GLY A 26 15.086 7.443 3.191 1.00 0.49 H new ATOM 0 HA2 GLY A 26 16.125 9.993 2.518 1.00 0.64 H new ATOM 0 HA3 GLY A 26 15.936 9.303 4.118 1.00 0.64 H new ATOM 503 N THR A 33 13.215 8.736 -3.556 1.00 0.67 N ATOM 504 CA THR A 33 13.556 7.516 -4.269 1.00 0.46 C ATOM 505 C THR A 33 14.439 6.607 -3.421 1.00 0.38 C ATOM 506 O THR A 33 15.427 7.042 -2.826 1.00 0.44 O ATOM 507 CB THR A 33 14.264 7.819 -5.605 1.00 0.45 C ATOM 508 OG1 THR A 33 14.508 9.229 -5.730 1.00 0.66 O ATOM 509 CG2 THR A 33 13.433 7.330 -6.788 1.00 0.43 C ATOM 0 HA THR A 33 12.618 7.003 -4.479 1.00 0.46 H new ATOM 0 HB THR A 33 15.216 7.288 -5.610 1.00 0.45 H new ATOM 0 HG1 THR A 33 14.126 9.697 -4.958 1.00 0.66 H new ATOM 0 HG21 THR A 33 13.955 7.556 -7.718 1.00 0.43 H new ATOM 0 HG22 THR A 33 13.285 6.253 -6.708 1.00 0.43 H new ATOM 0 HG23 THR A 33 12.465 7.831 -6.784 1.00 0.43 H new ATOM 517 N LEU A 34 14.056 5.345 -3.373 1.00 0.32 N ATOM 518 CA LEU A 34 14.801 4.311 -2.680 1.00 0.30 C ATOM 519 C LEU A 34 15.846 3.756 -3.625 1.00 0.31 C ATOM 520 O LEU A 34 15.515 3.113 -4.613 1.00 0.34 O ATOM 521 CB LEU A 34 13.819 3.212 -2.246 1.00 0.30 C ATOM 522 CG LEU A 34 13.691 2.972 -0.742 1.00 0.29 C ATOM 523 CD1 LEU A 34 12.388 2.264 -0.422 1.00 0.45 C ATOM 524 CD2 LEU A 34 14.849 2.143 -0.239 1.00 0.28 C ATOM 0 H LEU A 34 13.205 5.004 -3.821 1.00 0.32 H new ATOM 0 HA LEU A 34 15.300 4.709 -1.796 1.00 0.30 H new ATOM 0 HB2 LEU A 34 12.833 3.461 -2.638 1.00 0.30 H new ATOM 0 HB3 LEU A 34 14.122 2.277 -2.717 1.00 0.30 H new ATOM 0 HG LEU A 34 13.701 3.942 -0.245 1.00 0.29 H new ATOM 0 HD11 LEU A 34 12.316 2.103 0.654 1.00 0.45 H new ATOM 0 HD12 LEU A 34 11.550 2.877 -0.754 1.00 0.45 H new ATOM 0 HD13 LEU A 34 12.360 1.303 -0.936 1.00 0.45 H new ATOM 0 HD21 LEU A 34 14.742 1.982 0.834 1.00 0.28 H new ATOM 0 HD22 LEU A 34 14.858 1.181 -0.752 1.00 0.28 H new ATOM 0 HD23 LEU A 34 15.784 2.667 -0.436 1.00 0.28 H new ATOM 536 N SER A 35 17.105 4.056 -3.344 1.00 0.32 N ATOM 537 CA SER A 35 18.192 3.639 -4.209 1.00 0.33 C ATOM 538 C SER A 35 18.352 2.122 -4.160 1.00 0.32 C ATOM 539 O SER A 35 17.838 1.479 -3.244 1.00 0.30 O ATOM 540 CB SER A 35 19.485 4.357 -3.813 1.00 0.37 C ATOM 541 OG SER A 35 20.547 4.046 -4.696 1.00 0.40 O ATOM 0 H SER A 35 17.397 4.587 -2.523 1.00 0.32 H new ATOM 0 HA SER A 35 17.960 3.914 -5.238 1.00 0.33 H new ATOM 0 HB2 SER A 35 19.317 5.434 -3.810 1.00 0.37 H new ATOM 0 HB3 SER A 35 19.762 4.075 -2.797 1.00 0.37 H new ATOM 0 HG SER A 35 21.356 4.522 -4.415 1.00 0.40 H new ATOM 547 N LYS A 36 19.067 1.566 -5.142 1.00 0.38 N ATOM 548 CA LYS A 36 19.155 0.115 -5.326 1.00 0.42 C ATOM 549 C LYS A 36 19.450 -0.590 -4.014 1.00 0.36 C ATOM 550 O LYS A 36 18.626 -1.340 -3.502 1.00 0.35 O ATOM 551 CB LYS A 36 20.241 -0.230 -6.351 1.00 0.53 C ATOM 552 CG LYS A 36 20.433 -1.727 -6.569 1.00 0.62 C ATOM 553 CD LYS A 36 19.254 -2.351 -7.298 1.00 0.66 C ATOM 554 CE LYS A 36 19.387 -3.867 -7.401 1.00 0.61 C ATOM 555 NZ LYS A 36 20.595 -4.282 -8.161 1.00 0.65 N ATOM 0 H LYS A 36 19.597 2.104 -5.827 1.00 0.38 H new ATOM 0 HA LYS A 36 18.189 -0.230 -5.694 1.00 0.42 H new ATOM 0 HB2 LYS A 36 19.989 0.236 -7.303 1.00 0.53 H new ATOM 0 HB3 LYS A 36 21.186 0.204 -6.024 1.00 0.53 H new ATOM 0 HG2 LYS A 36 21.345 -1.896 -7.142 1.00 0.62 H new ATOM 0 HG3 LYS A 36 20.566 -2.220 -5.606 1.00 0.62 H new ATOM 0 HD2 LYS A 36 18.331 -2.102 -6.775 1.00 0.66 H new ATOM 0 HD3 LYS A 36 19.178 -1.924 -8.298 1.00 0.66 H new ATOM 0 HE2 LYS A 36 19.428 -4.294 -6.399 1.00 0.61 H new ATOM 0 HE3 LYS A 36 18.499 -4.274 -7.885 1.00 0.61 H new ATOM 0 HZ1 LYS A 36 20.406 -5.180 -8.650 1.00 0.65 H new ATOM 0 HZ2 LYS A 36 20.833 -3.550 -8.861 1.00 0.65 H new ATOM 0 HZ3 LYS A 36 21.392 -4.406 -7.505 1.00 0.65 H new ATOM 569 N THR A 37 20.603 -0.303 -3.453 1.00 0.37 N ATOM 570 CA THR A 37 21.038 -0.946 -2.233 1.00 0.38 C ATOM 571 C THR A 37 20.115 -0.612 -1.060 1.00 0.36 C ATOM 572 O THR A 37 19.960 -1.405 -0.128 1.00 0.38 O ATOM 573 CB THR A 37 22.462 -0.505 -1.888 1.00 0.44 C ATOM 574 OG1 THR A 37 23.340 -0.788 -2.987 1.00 0.48 O ATOM 575 CG2 THR A 37 22.955 -1.211 -0.636 1.00 0.49 C ATOM 0 H THR A 37 21.263 0.379 -3.827 1.00 0.37 H new ATOM 0 HA THR A 37 21.008 -2.023 -2.401 1.00 0.38 H new ATOM 0 HB THR A 37 22.456 0.568 -1.699 1.00 0.44 H new ATOM 0 HG1 THR A 37 24.250 -0.502 -2.761 1.00 0.48 H new ATOM 0 HG21 THR A 37 23.969 -0.883 -0.409 1.00 0.49 H new ATOM 0 HG22 THR A 37 22.299 -0.969 0.200 1.00 0.49 H new ATOM 0 HG23 THR A 37 22.951 -2.289 -0.800 1.00 0.49 H new ATOM 583 N GLU A 38 19.482 0.549 -1.123 1.00 0.34 N ATOM 584 CA GLU A 38 18.640 1.004 -0.035 1.00 0.34 C ATOM 585 C GLU A 38 17.393 0.138 0.071 1.00 0.34 C ATOM 586 O GLU A 38 16.975 -0.216 1.175 1.00 0.48 O ATOM 587 CB GLU A 38 18.282 2.476 -0.205 1.00 0.35 C ATOM 588 CG GLU A 38 19.502 3.378 -0.334 1.00 0.47 C ATOM 589 CD GLU A 38 20.537 3.148 0.752 1.00 1.27 C ATOM 590 OE1 GLU A 38 20.168 2.706 1.855 1.00 1.96 O ATOM 591 OE2 GLU A 38 21.734 3.393 0.490 1.00 2.16 O ATOM 0 H GLU A 38 19.537 1.190 -1.915 1.00 0.34 H new ATOM 0 HA GLU A 38 19.196 0.907 0.897 1.00 0.34 H new ATOM 0 HB2 GLU A 38 17.657 2.592 -1.091 1.00 0.35 H new ATOM 0 HB3 GLU A 38 17.687 2.800 0.649 1.00 0.35 H new ATOM 0 HG2 GLU A 38 19.965 3.215 -1.307 1.00 0.47 H new ATOM 0 HG3 GLU A 38 19.180 4.419 -0.305 1.00 0.47 H new ATOM 598 N PHE A 39 16.799 -0.237 -1.068 1.00 0.29 N ATOM 599 CA PHE A 39 15.657 -1.141 -1.011 1.00 0.31 C ATOM 600 C PHE A 39 16.113 -2.570 -0.882 1.00 0.28 C ATOM 601 O PHE A 39 15.370 -3.412 -0.409 1.00 0.27 O ATOM 602 CB PHE A 39 14.662 -1.010 -2.170 1.00 0.53 C ATOM 603 CG PHE A 39 15.218 -1.031 -3.562 1.00 0.81 C ATOM 604 CD1 PHE A 39 15.530 -2.226 -4.185 1.00 1.76 C ATOM 605 CD2 PHE A 39 15.378 0.147 -4.266 1.00 1.78 C ATOM 606 CE1 PHE A 39 16.001 -2.240 -5.481 1.00 2.62 C ATOM 607 CE2 PHE A 39 15.841 0.138 -5.563 1.00 2.66 C ATOM 608 CZ PHE A 39 16.155 -1.054 -6.169 1.00 2.88 C ATOM 0 H PHE A 39 17.079 0.060 -2.003 1.00 0.29 H new ATOM 0 HA PHE A 39 15.108 -0.835 -0.120 1.00 0.31 H new ATOM 0 HB2 PHE A 39 13.937 -1.819 -2.085 1.00 0.53 H new ATOM 0 HB3 PHE A 39 14.114 -0.077 -2.040 1.00 0.53 H new ATOM 0 HD1 PHE A 39 15.404 -3.157 -3.652 1.00 1.76 H new ATOM 0 HD2 PHE A 39 15.137 1.087 -3.793 1.00 1.78 H new ATOM 0 HE1 PHE A 39 16.249 -3.177 -5.957 1.00 2.62 H new ATOM 0 HE2 PHE A 39 15.957 1.066 -6.103 1.00 2.66 H new ATOM 0 HZ PHE A 39 16.523 -1.063 -7.184 1.00 2.88 H new ATOM 618 N LEU A 40 17.332 -2.843 -1.299 1.00 0.33 N ATOM 619 CA LEU A 40 17.931 -4.138 -1.042 1.00 0.37 C ATOM 620 C LEU A 40 17.982 -4.367 0.461 1.00 0.40 C ATOM 621 O LEU A 40 17.637 -5.439 0.961 1.00 0.43 O ATOM 622 CB LEU A 40 19.340 -4.190 -1.625 1.00 0.43 C ATOM 623 CG LEU A 40 19.470 -4.745 -3.053 1.00 0.50 C ATOM 624 CD1 LEU A 40 19.436 -6.262 -3.056 1.00 1.07 C ATOM 625 CD2 LEU A 40 18.369 -4.212 -3.946 1.00 0.46 C ATOM 0 H LEU A 40 17.924 -2.192 -1.814 1.00 0.33 H new ATOM 0 HA LEU A 40 17.333 -4.918 -1.514 1.00 0.37 H new ATOM 0 HB2 LEU A 40 19.752 -3.181 -1.612 1.00 0.43 H new ATOM 0 HB3 LEU A 40 19.960 -4.796 -0.965 1.00 0.43 H new ATOM 0 HG LEU A 40 20.433 -4.414 -3.442 1.00 0.50 H new ATOM 0 HD11 LEU A 40 19.530 -6.626 -4.079 1.00 1.07 H new ATOM 0 HD12 LEU A 40 20.262 -6.646 -2.457 1.00 1.07 H new ATOM 0 HD13 LEU A 40 18.492 -6.606 -2.634 1.00 1.07 H new ATOM 0 HD21 LEU A 40 18.485 -4.620 -4.950 1.00 0.46 H new ATOM 0 HD22 LEU A 40 17.400 -4.507 -3.544 1.00 0.46 H new ATOM 0 HD23 LEU A 40 18.429 -3.124 -3.988 1.00 0.46 H new ATOM 637 N SER A 41 18.407 -3.330 1.171 1.00 0.42 N ATOM 638 CA SER A 41 18.394 -3.332 2.622 1.00 0.52 C ATOM 639 C SER A 41 16.961 -3.467 3.125 1.00 0.45 C ATOM 640 O SER A 41 16.644 -4.411 3.838 1.00 0.47 O ATOM 641 CB SER A 41 19.025 -2.045 3.159 1.00 0.67 C ATOM 642 OG SER A 41 20.320 -1.839 2.611 1.00 1.40 O ATOM 0 H SER A 41 18.768 -2.470 0.757 1.00 0.42 H new ATOM 0 HA SER A 41 18.977 -4.180 2.981 1.00 0.52 H new ATOM 0 HB2 SER A 41 18.386 -1.196 2.918 1.00 0.67 H new ATOM 0 HB3 SER A 41 19.091 -2.095 4.246 1.00 0.67 H new ATOM 0 HG SER A 41 20.240 -1.589 1.667 1.00 1.40 H new ATOM 648 N PHE A 42 16.104 -2.531 2.705 1.00 0.42 N ATOM 649 CA PHE A 42 14.678 -2.533 3.052 1.00 0.46 C ATOM 650 C PHE A 42 14.058 -3.906 2.871 1.00 0.29 C ATOM 651 O PHE A 42 13.479 -4.466 3.787 1.00 0.43 O ATOM 652 CB PHE A 42 13.935 -1.547 2.152 1.00 0.80 C ATOM 653 CG PHE A 42 12.440 -1.575 2.322 1.00 1.89 C ATOM 654 CD1 PHE A 42 11.839 -0.974 3.413 1.00 2.77 C ATOM 655 CD2 PHE A 42 11.638 -2.212 1.389 1.00 2.69 C ATOM 656 CE1 PHE A 42 10.469 -1.009 3.572 1.00 3.80 C ATOM 657 CE2 PHE A 42 10.269 -2.248 1.543 1.00 3.73 C ATOM 658 CZ PHE A 42 9.682 -1.647 2.637 1.00 4.13 C ATOM 0 H PHE A 42 16.380 -1.748 2.113 1.00 0.42 H new ATOM 0 HA PHE A 42 14.593 -2.247 4.100 1.00 0.46 H new ATOM 0 HB2 PHE A 42 14.296 -0.539 2.358 1.00 0.80 H new ATOM 0 HB3 PHE A 42 14.177 -1.766 1.112 1.00 0.80 H new ATOM 0 HD1 PHE A 42 12.449 -0.472 4.149 1.00 2.77 H new ATOM 0 HD2 PHE A 42 12.091 -2.686 0.531 1.00 2.69 H new ATOM 0 HE1 PHE A 42 10.013 -0.536 4.429 1.00 3.80 H new ATOM 0 HE2 PHE A 42 9.656 -2.747 0.807 1.00 3.73 H new ATOM 0 HZ PHE A 42 8.610 -1.676 2.761 1.00 4.13 H new ATOM 668 N MET A 43 14.172 -4.427 1.676 1.00 0.26 N ATOM 669 CA MET A 43 13.570 -5.705 1.344 1.00 0.29 C ATOM 670 C MET A 43 14.136 -6.851 2.180 1.00 0.29 C ATOM 671 O MET A 43 13.462 -7.843 2.401 1.00 0.37 O ATOM 672 CB MET A 43 13.766 -6.003 -0.130 1.00 0.39 C ATOM 673 CG MET A 43 12.932 -5.124 -1.053 1.00 0.62 C ATOM 674 SD MET A 43 13.342 -5.342 -2.797 1.00 1.22 S ATOM 675 CE MET A 43 12.236 -4.160 -3.557 1.00 2.26 C ATOM 0 H MET A 43 14.679 -3.987 0.908 1.00 0.26 H new ATOM 0 HA MET A 43 12.507 -5.628 1.572 1.00 0.29 H new ATOM 0 HB2 MET A 43 14.820 -5.878 -0.379 1.00 0.39 H new ATOM 0 HB3 MET A 43 13.517 -7.048 -0.316 1.00 0.39 H new ATOM 0 HG2 MET A 43 11.876 -5.349 -0.903 1.00 0.62 H new ATOM 0 HG3 MET A 43 13.077 -4.079 -0.779 1.00 0.62 H new ATOM 0 HE1 MET A 43 12.625 -3.873 -4.534 1.00 2.26 H new ATOM 0 HE2 MET A 43 11.250 -4.609 -3.677 1.00 2.26 H new ATOM 0 HE3 MET A 43 12.157 -3.276 -2.924 1.00 2.26 H new ATOM 685 N ASN A 44 15.364 -6.728 2.646 1.00 0.29 N ATOM 686 CA ASN A 44 15.964 -7.797 3.438 1.00 0.33 C ATOM 687 C ASN A 44 15.788 -7.552 4.936 1.00 0.32 C ATOM 688 O ASN A 44 16.031 -8.437 5.753 1.00 0.39 O ATOM 689 CB ASN A 44 17.438 -7.948 3.073 1.00 0.42 C ATOM 690 CG ASN A 44 18.170 -8.984 3.908 1.00 1.05 C ATOM 691 OD1 ASN A 44 18.122 -10.178 3.622 1.00 1.54 O ATOM 692 ND2 ASN A 44 18.877 -8.529 4.931 1.00 1.83 N ATOM 0 H ASN A 44 15.961 -5.915 2.496 1.00 0.29 H new ATOM 0 HA ASN A 44 15.448 -8.729 3.205 1.00 0.33 H new ATOM 0 HB2 ASN A 44 17.517 -8.221 2.021 1.00 0.42 H new ATOM 0 HB3 ASN A 44 17.933 -6.984 3.190 1.00 0.42 H new ATOM 0 HD21 ASN A 44 19.407 -9.177 5.513 1.00 1.83 H new ATOM 0 HD22 ASN A 44 18.892 -7.530 5.137 1.00 1.83 H new ATOM 699 N THR A 45 15.353 -6.359 5.295 1.00 0.26 N ATOM 700 CA THR A 45 15.104 -6.036 6.695 1.00 0.29 C ATOM 701 C THR A 45 13.615 -6.031 6.982 1.00 0.28 C ATOM 702 O THR A 45 13.101 -6.825 7.771 1.00 0.34 O ATOM 703 CB THR A 45 15.674 -4.656 7.066 1.00 0.29 C ATOM 704 OG1 THR A 45 15.267 -3.685 6.095 1.00 0.34 O ATOM 705 CG2 THR A 45 17.189 -4.693 7.144 1.00 0.34 C ATOM 0 H THR A 45 15.164 -5.598 4.643 1.00 0.26 H new ATOM 0 HA THR A 45 15.601 -6.801 7.292 1.00 0.29 H new ATOM 0 HB THR A 45 15.286 -4.381 8.047 1.00 0.29 H new ATOM 0 HG1 THR A 45 15.798 -3.796 5.279 1.00 0.34 H new ATOM 0 HG21 THR A 45 17.564 -3.704 7.408 1.00 0.34 H new ATOM 0 HG22 THR A 45 17.497 -5.412 7.903 1.00 0.34 H new ATOM 0 HG23 THR A 45 17.596 -4.989 6.177 1.00 0.34 H new ATOM 713 N GLU A 46 12.935 -5.136 6.299 1.00 0.23 N ATOM 714 CA GLU A 46 11.518 -4.945 6.459 1.00 0.25 C ATOM 715 C GLU A 46 10.741 -6.041 5.738 1.00 0.25 C ATOM 716 O GLU A 46 9.588 -6.292 6.049 1.00 0.34 O ATOM 717 CB GLU A 46 11.112 -3.573 5.920 1.00 0.29 C ATOM 718 CG GLU A 46 11.705 -2.396 6.685 1.00 0.58 C ATOM 719 CD GLU A 46 11.188 -2.286 8.106 1.00 1.17 C ATOM 720 OE1 GLU A 46 10.017 -1.895 8.289 1.00 1.70 O ATOM 721 OE2 GLU A 46 11.958 -2.560 9.048 1.00 1.68 O ATOM 0 H GLU A 46 13.360 -4.515 5.610 1.00 0.23 H new ATOM 0 HA GLU A 46 11.280 -4.997 7.521 1.00 0.25 H new ATOM 0 HB2 GLU A 46 11.416 -3.502 4.876 1.00 0.29 H new ATOM 0 HB3 GLU A 46 10.025 -3.495 5.942 1.00 0.29 H new ATOM 0 HG2 GLU A 46 12.790 -2.495 6.707 1.00 0.58 H new ATOM 0 HG3 GLU A 46 11.480 -1.473 6.151 1.00 0.58 H new ATOM 728 N LEU A 47 11.372 -6.704 4.778 1.00 0.25 N ATOM 729 CA LEU A 47 10.677 -7.736 4.014 1.00 0.26 C ATOM 730 C LEU A 47 11.452 -9.033 3.984 1.00 0.28 C ATOM 731 O LEU A 47 11.292 -9.835 3.064 1.00 0.30 O ATOM 732 CB LEU A 47 10.425 -7.274 2.589 1.00 0.26 C ATOM 733 CG LEU A 47 9.624 -5.991 2.463 1.00 0.27 C ATOM 734 CD1 LEU A 47 9.588 -5.550 1.014 1.00 0.32 C ATOM 735 CD2 LEU A 47 8.219 -6.198 3.010 1.00 0.27 C ATOM 0 H LEU A 47 12.345 -6.552 4.512 1.00 0.25 H new ATOM 0 HA LEU A 47 9.726 -7.912 4.516 1.00 0.26 H new ATOM 0 HB2 LEU A 47 11.386 -7.135 2.093 1.00 0.26 H new ATOM 0 HB3 LEU A 47 9.901 -8.066 2.054 1.00 0.26 H new ATOM 0 HG LEU A 47 10.101 -5.205 3.048 1.00 0.27 H new ATOM 0 HD11 LEU A 47 9.012 -4.629 0.928 1.00 0.32 H new ATOM 0 HD12 LEU A 47 10.605 -5.377 0.661 1.00 0.32 H new ATOM 0 HD13 LEU A 47 9.122 -6.327 0.409 1.00 0.32 H new ATOM 0 HD21 LEU A 47 7.652 -5.272 2.915 1.00 0.27 H new ATOM 0 HD22 LEU A 47 7.722 -6.987 2.446 1.00 0.27 H new ATOM 0 HD23 LEU A 47 8.276 -6.483 4.061 1.00 0.27 H new ATOM 747 N ALA A 48 12.314 -9.223 4.967 1.00 0.32 N ATOM 748 CA ALA A 48 13.041 -10.470 5.109 1.00 0.36 C ATOM 749 C ALA A 48 12.096 -11.668 5.084 1.00 0.39 C ATOM 750 O ALA A 48 12.462 -12.743 4.615 1.00 0.44 O ATOM 751 CB ALA A 48 13.854 -10.447 6.387 1.00 0.41 C ATOM 0 H ALA A 48 12.528 -8.526 5.681 1.00 0.32 H new ATOM 0 HA ALA A 48 13.719 -10.574 4.262 1.00 0.36 H new ATOM 0 HB1 ALA A 48 14.398 -11.386 6.489 1.00 0.41 H new ATOM 0 HB2 ALA A 48 14.562 -9.619 6.353 1.00 0.41 H new ATOM 0 HB3 ALA A 48 13.187 -10.319 7.240 1.00 0.41 H new ATOM 757 N ALA A 49 10.876 -11.466 5.573 1.00 0.38 N ATOM 758 CA ALA A 49 9.833 -12.482 5.501 1.00 0.41 C ATOM 759 C ALA A 49 9.671 -12.990 4.074 1.00 0.41 C ATOM 760 O ALA A 49 9.649 -14.194 3.825 1.00 0.47 O ATOM 761 CB ALA A 49 8.519 -11.905 5.995 1.00 0.44 C ATOM 0 H ALA A 49 10.585 -10.600 6.027 1.00 0.38 H new ATOM 0 HA ALA A 49 10.122 -13.320 6.135 1.00 0.41 H new ATOM 0 HB1 ALA A 49 7.743 -12.668 5.939 1.00 0.44 H new ATOM 0 HB2 ALA A 49 8.631 -11.577 7.028 1.00 0.44 H new ATOM 0 HB3 ALA A 49 8.238 -11.055 5.373 1.00 0.44 H new ATOM 767 N PHE A 50 9.583 -12.054 3.147 1.00 0.36 N ATOM 768 CA PHE A 50 9.419 -12.368 1.739 1.00 0.37 C ATOM 769 C PHE A 50 10.751 -12.772 1.121 1.00 0.38 C ATOM 770 O PHE A 50 10.878 -13.835 0.513 1.00 0.44 O ATOM 771 CB PHE A 50 8.875 -11.138 1.014 1.00 0.35 C ATOM 772 CG PHE A 50 8.624 -11.351 -0.455 1.00 0.70 C ATOM 773 CD1 PHE A 50 7.486 -12.011 -0.887 1.00 1.63 C ATOM 774 CD2 PHE A 50 9.529 -10.891 -1.401 1.00 1.32 C ATOM 775 CE1 PHE A 50 7.254 -12.210 -2.235 1.00 2.09 C ATOM 776 CE2 PHE A 50 9.302 -11.088 -2.750 1.00 1.66 C ATOM 777 CZ PHE A 50 8.162 -11.748 -3.167 1.00 1.80 C ATOM 0 H PHE A 50 9.623 -11.055 3.348 1.00 0.36 H new ATOM 0 HA PHE A 50 8.723 -13.201 1.640 1.00 0.37 H new ATOM 0 HB2 PHE A 50 7.944 -10.831 1.490 1.00 0.35 H new ATOM 0 HB3 PHE A 50 9.581 -10.316 1.136 1.00 0.35 H new ATOM 0 HD1 PHE A 50 6.772 -12.374 -0.163 1.00 1.63 H new ATOM 0 HD2 PHE A 50 10.421 -10.373 -1.080 1.00 1.32 H new ATOM 0 HE1 PHE A 50 6.363 -12.727 -2.559 1.00 2.09 H new ATOM 0 HE2 PHE A 50 10.014 -10.727 -3.477 1.00 1.66 H new ATOM 0 HZ PHE A 50 7.981 -11.902 -4.221 1.00 1.80 H new ATOM 787 N THR A 51 11.741 -11.915 1.308 1.00 0.36 N ATOM 788 CA THR A 51 13.035 -12.047 0.664 1.00 0.40 C ATOM 789 C THR A 51 13.758 -13.337 1.050 1.00 0.45 C ATOM 790 O THR A 51 14.235 -14.072 0.183 1.00 0.54 O ATOM 791 CB THR A 51 13.907 -10.832 1.015 1.00 0.39 C ATOM 792 OG1 THR A 51 13.280 -9.644 0.523 1.00 0.39 O ATOM 793 CG2 THR A 51 15.304 -10.959 0.430 1.00 0.49 C ATOM 0 H THR A 51 11.667 -11.100 1.917 1.00 0.36 H new ATOM 0 HA THR A 51 12.862 -12.091 -0.411 1.00 0.40 H new ATOM 0 HB THR A 51 14.005 -10.782 2.099 1.00 0.39 H new ATOM 0 HG1 THR A 51 13.170 -9.004 1.257 1.00 0.39 H new ATOM 0 HG21 THR A 51 15.892 -10.082 0.699 1.00 0.49 H new ATOM 0 HG22 THR A 51 15.785 -11.853 0.827 1.00 0.49 H new ATOM 0 HG23 THR A 51 15.239 -11.033 -0.655 1.00 0.49 H new ATOM 801 N LYS A 52 13.825 -13.624 2.343 1.00 0.48 N ATOM 802 CA LYS A 52 14.584 -14.775 2.813 1.00 0.60 C ATOM 803 C LYS A 52 13.858 -16.067 2.470 1.00 0.69 C ATOM 804 O LYS A 52 14.486 -17.101 2.229 1.00 0.84 O ATOM 805 CB LYS A 52 14.823 -14.699 4.325 1.00 0.70 C ATOM 806 CG LYS A 52 15.459 -13.397 4.807 1.00 0.78 C ATOM 807 CD LYS A 52 16.971 -13.357 4.611 1.00 1.07 C ATOM 808 CE LYS A 52 17.364 -13.155 3.160 1.00 1.24 C ATOM 809 NZ LYS A 52 18.805 -12.830 3.017 1.00 1.82 N ATOM 0 H LYS A 52 13.369 -13.083 3.078 1.00 0.48 H new ATOM 0 HA LYS A 52 15.551 -14.764 2.310 1.00 0.60 H new ATOM 0 HB2 LYS A 52 13.870 -14.833 4.837 1.00 0.70 H new ATOM 0 HB3 LYS A 52 15.463 -15.531 4.620 1.00 0.70 H new ATOM 0 HG2 LYS A 52 15.008 -12.561 4.273 1.00 0.78 H new ATOM 0 HG3 LYS A 52 15.233 -13.259 5.864 1.00 0.78 H new ATOM 0 HD2 LYS A 52 17.391 -12.551 5.213 1.00 1.07 H new ATOM 0 HD3 LYS A 52 17.406 -14.288 4.976 1.00 1.07 H new ATOM 0 HE2 LYS A 52 17.138 -14.058 2.593 1.00 1.24 H new ATOM 0 HE3 LYS A 52 16.766 -12.351 2.730 1.00 1.24 H new ATOM 0 HZ1 LYS A 52 19.119 -13.061 2.053 1.00 1.82 H new ATOM 0 HZ2 LYS A 52 18.951 -11.816 3.195 1.00 1.82 H new ATOM 0 HZ3 LYS A 52 19.356 -13.385 3.703 1.00 1.82 H new ATOM 902 N GLY A 58 18.724 -11.956 -5.290 1.00 0.67 N ATOM 903 CA GLY A 58 18.522 -11.733 -6.708 1.00 0.56 C ATOM 904 C GLY A 58 17.083 -11.411 -7.050 1.00 0.49 C ATOM 905 O GLY A 58 16.810 -10.753 -8.053 1.00 0.48 O ATOM 0 HA2 GLY A 58 19.161 -10.914 -7.037 1.00 0.56 H new ATOM 0 HA3 GLY A 58 18.832 -12.621 -7.259 1.00 0.56 H new ATOM 909 N VAL A 59 16.154 -11.867 -6.219 1.00 0.52 N ATOM 910 CA VAL A 59 14.745 -11.574 -6.432 1.00 0.52 C ATOM 911 C VAL A 59 14.488 -10.088 -6.337 1.00 0.49 C ATOM 912 O VAL A 59 13.700 -9.539 -7.097 1.00 0.49 O ATOM 913 CB VAL A 59 13.828 -12.300 -5.424 1.00 0.61 C ATOM 914 CG1 VAL A 59 14.223 -11.974 -3.990 1.00 0.65 C ATOM 915 CG2 VAL A 59 12.373 -11.921 -5.667 1.00 0.66 C ATOM 0 H VAL A 59 16.350 -12.438 -5.397 1.00 0.52 H new ATOM 0 HA VAL A 59 14.508 -11.936 -7.432 1.00 0.52 H new ATOM 0 HB VAL A 59 13.945 -13.373 -5.573 1.00 0.61 H new ATOM 0 HG11 VAL A 59 13.560 -12.499 -3.302 1.00 0.65 H new ATOM 0 HG12 VAL A 59 15.252 -12.290 -3.815 1.00 0.65 H new ATOM 0 HG13 VAL A 59 14.140 -10.900 -3.825 1.00 0.65 H new ATOM 0 HG21 VAL A 59 11.737 -12.440 -4.950 1.00 0.66 H new ATOM 0 HG22 VAL A 59 12.252 -10.844 -5.547 1.00 0.66 H new ATOM 0 HG23 VAL A 59 12.087 -12.207 -6.679 1.00 0.66 H new ATOM 925 N LEU A 60 15.179 -9.438 -5.422 1.00 0.48 N ATOM 926 CA LEU A 60 14.994 -8.018 -5.202 1.00 0.46 C ATOM 927 C LEU A 60 15.455 -7.245 -6.421 1.00 0.43 C ATOM 928 O LEU A 60 15.081 -6.095 -6.629 1.00 0.41 O ATOM 929 CB LEU A 60 15.765 -7.562 -3.973 1.00 0.48 C ATOM 930 CG LEU A 60 15.611 -8.469 -2.751 1.00 0.51 C ATOM 931 CD1 LEU A 60 16.384 -7.913 -1.567 1.00 0.51 C ATOM 932 CD2 LEU A 60 14.141 -8.648 -2.409 1.00 0.52 C ATOM 0 H LEU A 60 15.876 -9.872 -4.817 1.00 0.48 H new ATOM 0 HA LEU A 60 13.934 -7.826 -5.035 1.00 0.46 H new ATOM 0 HB2 LEU A 60 16.823 -7.495 -4.228 1.00 0.48 H new ATOM 0 HB3 LEU A 60 15.437 -6.557 -3.707 1.00 0.48 H new ATOM 0 HG LEU A 60 16.027 -9.448 -2.990 1.00 0.51 H new ATOM 0 HD11 LEU A 60 16.260 -8.574 -0.709 1.00 0.51 H new ATOM 0 HD12 LEU A 60 17.441 -7.844 -1.823 1.00 0.51 H new ATOM 0 HD13 LEU A 60 16.006 -6.921 -1.319 1.00 0.51 H new ATOM 0 HD21 LEU A 60 14.046 -9.296 -1.537 1.00 0.52 H new ATOM 0 HD22 LEU A 60 13.698 -7.677 -2.189 1.00 0.52 H new ATOM 0 HD23 LEU A 60 13.623 -9.100 -3.255 1.00 0.52 H new ATOM 944 N ASP A 61 16.259 -7.907 -7.234 1.00 0.46 N ATOM 945 CA ASP A 61 16.740 -7.326 -8.481 1.00 0.46 C ATOM 946 C ASP A 61 15.659 -7.440 -9.536 1.00 0.47 C ATOM 947 O ASP A 61 15.511 -6.578 -10.400 1.00 0.51 O ATOM 948 CB ASP A 61 18.017 -8.031 -8.945 1.00 0.47 C ATOM 949 CG ASP A 61 18.790 -7.228 -9.977 1.00 0.48 C ATOM 950 OD1 ASP A 61 18.525 -7.391 -11.188 1.00 1.22 O ATOM 951 OD2 ASP A 61 19.675 -6.435 -9.582 1.00 1.19 O ATOM 0 H ASP A 61 16.596 -8.853 -7.054 1.00 0.46 H new ATOM 0 HA ASP A 61 16.976 -6.274 -8.319 1.00 0.46 H new ATOM 0 HB2 ASP A 61 18.657 -8.218 -8.083 1.00 0.47 H new ATOM 0 HB3 ASP A 61 17.758 -9.002 -9.366 1.00 0.47 H new ATOM 956 N ARG A 62 14.884 -8.502 -9.426 1.00 0.47 N ATOM 957 CA ARG A 62 13.754 -8.720 -10.307 1.00 0.51 C ATOM 958 C ARG A 62 12.617 -7.789 -9.905 1.00 0.50 C ATOM 959 O ARG A 62 11.876 -7.285 -10.751 1.00 0.56 O ATOM 960 CB ARG A 62 13.311 -10.178 -10.223 1.00 0.55 C ATOM 961 CG ARG A 62 14.472 -11.157 -10.294 1.00 0.55 C ATOM 962 CD ARG A 62 14.000 -12.596 -10.236 1.00 0.62 C ATOM 963 NE ARG A 62 13.058 -12.912 -11.309 1.00 1.45 N ATOM 964 CZ ARG A 62 12.443 -14.086 -11.441 1.00 1.97 C ATOM 965 NH1 ARG A 62 12.665 -15.065 -10.568 1.00 1.66 N ATOM 966 NH2 ARG A 62 11.604 -14.284 -12.450 1.00 3.02 N ATOM 0 H ARG A 62 15.019 -9.233 -8.728 1.00 0.47 H new ATOM 0 HA ARG A 62 14.039 -8.505 -11.337 1.00 0.51 H new ATOM 0 HB2 ARG A 62 12.768 -10.334 -9.291 1.00 0.55 H new ATOM 0 HB3 ARG A 62 12.616 -10.388 -11.036 1.00 0.55 H new ATOM 0 HG2 ARG A 62 15.029 -10.994 -11.217 1.00 0.55 H new ATOM 0 HG3 ARG A 62 15.159 -10.966 -9.469 1.00 0.55 H new ATOM 0 HD2 ARG A 62 14.860 -13.262 -10.302 1.00 0.62 H new ATOM 0 HD3 ARG A 62 13.526 -12.783 -9.272 1.00 0.62 H new ATOM 0 HE ARG A 62 12.860 -12.188 -12.000 1.00 1.45 H new ATOM 0 HH11 ARG A 62 13.310 -14.919 -9.791 1.00 1.66 H new ATOM 0 HH12 ARG A 62 12.190 -15.961 -10.675 1.00 1.66 H new ATOM 0 HH21 ARG A 62 11.431 -13.538 -13.123 1.00 3.02 H new ATOM 0 HH22 ARG A 62 11.132 -15.183 -12.552 1.00 3.02 H new ATOM 980 N MET A 63 12.496 -7.561 -8.600 1.00 0.45 N ATOM 981 CA MET A 63 11.545 -6.589 -8.074 1.00 0.44 C ATOM 982 C MET A 63 11.967 -5.214 -8.530 1.00 0.41 C ATOM 983 O MET A 63 11.154 -4.440 -9.017 1.00 0.42 O ATOM 984 CB MET A 63 11.509 -6.590 -6.544 1.00 0.43 C ATOM 985 CG MET A 63 11.468 -7.966 -5.903 1.00 0.49 C ATOM 986 SD MET A 63 9.855 -8.779 -6.020 1.00 0.64 S ATOM 987 CE MET A 63 9.899 -9.472 -7.673 1.00 1.54 C ATOM 0 H MET A 63 13.047 -8.038 -7.886 1.00 0.45 H new ATOM 0 HA MET A 63 10.554 -6.855 -8.441 1.00 0.44 H new ATOM 0 HB2 MET A 63 12.387 -6.060 -6.175 1.00 0.43 H new ATOM 0 HB3 MET A 63 10.635 -6.027 -6.216 1.00 0.43 H new ATOM 0 HG2 MET A 63 12.219 -8.599 -6.376 1.00 0.49 H new ATOM 0 HG3 MET A 63 11.743 -7.875 -4.852 1.00 0.49 H new ATOM 0 HE1 MET A 63 9.386 -10.434 -7.678 1.00 1.54 H new ATOM 0 HE2 MET A 63 9.403 -8.792 -8.366 1.00 1.54 H new ATOM 0 HE3 MET A 63 10.935 -9.612 -7.981 1.00 1.54 H new ATOM 997 N MET A 64 13.260 -4.944 -8.365 1.00 0.41 N ATOM 998 CA MET A 64 13.864 -3.678 -8.746 1.00 0.42 C ATOM 999 C MET A 64 13.338 -3.199 -10.071 1.00 0.44 C ATOM 1000 O MET A 64 12.731 -2.151 -10.150 1.00 0.41 O ATOM 1001 CB MET A 64 15.384 -3.824 -8.809 1.00 0.55 C ATOM 1002 CG MET A 64 16.110 -2.525 -9.095 1.00 0.65 C ATOM 1003 SD MET A 64 16.782 -2.427 -10.761 1.00 1.87 S ATOM 1004 CE MET A 64 17.900 -3.826 -10.768 1.00 2.41 C ATOM 0 H MET A 64 13.920 -5.607 -7.959 1.00 0.41 H new ATOM 0 HA MET A 64 13.602 -2.937 -7.991 1.00 0.42 H new ATOM 0 HB2 MET A 64 15.741 -4.228 -7.862 1.00 0.55 H new ATOM 0 HB3 MET A 64 15.639 -4.550 -9.581 1.00 0.55 H new ATOM 0 HG2 MET A 64 15.423 -1.693 -8.940 1.00 0.65 H new ATOM 0 HG3 MET A 64 16.922 -2.407 -8.377 1.00 0.65 H new ATOM 0 HE1 MET A 64 17.829 -4.343 -11.725 1.00 2.41 H new ATOM 0 HE2 MET A 64 18.922 -3.476 -10.619 1.00 2.41 H new ATOM 0 HE3 MET A 64 17.631 -4.511 -9.964 1.00 2.41 H new ATOM 1014 N LYS A 65 13.523 -3.997 -11.090 1.00 0.52 N ATOM 1015 CA LYS A 65 13.148 -3.584 -12.437 1.00 0.56 C ATOM 1016 C LYS A 65 11.646 -3.680 -12.691 1.00 0.54 C ATOM 1017 O LYS A 65 11.125 -3.019 -13.588 1.00 0.60 O ATOM 1018 CB LYS A 65 13.935 -4.378 -13.463 1.00 0.66 C ATOM 1019 CG LYS A 65 15.415 -4.071 -13.391 1.00 0.79 C ATOM 1020 CD LYS A 65 15.716 -2.615 -13.746 1.00 0.86 C ATOM 1021 CE LYS A 65 15.162 -2.213 -15.104 1.00 1.57 C ATOM 1022 NZ LYS A 65 15.372 -0.764 -15.373 1.00 2.49 N ATOM 0 H LYS A 65 13.927 -4.931 -11.025 1.00 0.52 H new ATOM 0 HA LYS A 65 13.401 -2.528 -12.536 1.00 0.56 H new ATOM 0 HB2 LYS A 65 13.776 -5.444 -13.299 1.00 0.66 H new ATOM 0 HB3 LYS A 65 13.564 -4.150 -14.462 1.00 0.66 H new ATOM 0 HG2 LYS A 65 15.781 -4.282 -12.386 1.00 0.79 H new ATOM 0 HG3 LYS A 65 15.955 -4.729 -14.071 1.00 0.79 H new ATOM 0 HD2 LYS A 65 15.295 -1.964 -12.980 1.00 0.86 H new ATOM 0 HD3 LYS A 65 16.795 -2.459 -13.738 1.00 0.86 H new ATOM 0 HE2 LYS A 65 15.645 -2.802 -15.884 1.00 1.57 H new ATOM 0 HE3 LYS A 65 14.097 -2.441 -15.145 1.00 1.57 H new ATOM 0 HZ1 LYS A 65 14.952 -0.517 -16.292 1.00 2.49 H new ATOM 0 HZ2 LYS A 65 14.919 -0.203 -14.624 1.00 2.49 H new ATOM 0 HZ3 LYS A 65 16.391 -0.559 -15.392 1.00 2.49 H new ATOM 1036 N LYS A 66 10.952 -4.498 -11.914 1.00 0.50 N ATOM 1037 CA LYS A 66 9.495 -4.553 -11.990 1.00 0.52 C ATOM 1038 C LYS A 66 8.915 -3.231 -11.500 1.00 0.48 C ATOM 1039 O LYS A 66 7.908 -2.738 -12.011 1.00 0.55 O ATOM 1040 CB LYS A 66 8.946 -5.693 -11.126 1.00 0.55 C ATOM 1041 CG LYS A 66 7.445 -5.904 -11.275 1.00 0.91 C ATOM 1042 CD LYS A 66 6.896 -6.848 -10.215 1.00 0.96 C ATOM 1043 CE LYS A 66 6.594 -6.124 -8.908 1.00 0.73 C ATOM 1044 NZ LYS A 66 5.441 -5.191 -9.043 1.00 1.47 N ATOM 0 H LYS A 66 11.367 -5.129 -11.228 1.00 0.50 H new ATOM 0 HA LYS A 66 9.208 -4.731 -13.027 1.00 0.52 H new ATOM 0 HB2 LYS A 66 9.462 -6.617 -11.388 1.00 0.55 H new ATOM 0 HB3 LYS A 66 9.173 -5.487 -10.080 1.00 0.55 H new ATOM 0 HG2 LYS A 66 6.935 -4.943 -11.205 1.00 0.91 H new ATOM 0 HG3 LYS A 66 7.232 -6.307 -12.265 1.00 0.91 H new ATOM 0 HD2 LYS A 66 5.987 -7.321 -10.586 1.00 0.96 H new ATOM 0 HD3 LYS A 66 7.617 -7.645 -10.030 1.00 0.96 H new ATOM 0 HE2 LYS A 66 6.380 -6.856 -8.129 1.00 0.73 H new ATOM 0 HE3 LYS A 66 7.476 -5.568 -8.589 1.00 0.73 H new ATOM 0 HZ1 LYS A 66 4.939 -5.126 -8.135 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 5.787 -4.249 -9.315 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 4.791 -5.546 -9.773 1.00 1.47 H new ATOM 1058 N LEU A 67 9.584 -2.667 -10.512 1.00 0.41 N ATOM 1059 CA LEU A 67 9.119 -1.469 -9.837 1.00 0.39 C ATOM 1060 C LEU A 67 9.743 -0.222 -10.434 1.00 0.40 C ATOM 1061 O LEU A 67 9.063 0.784 -10.595 1.00 0.46 O ATOM 1062 CB LEU A 67 9.482 -1.558 -8.373 1.00 0.34 C ATOM 1063 CG LEU A 67 9.112 -2.884 -7.709 1.00 0.33 C ATOM 1064 CD1 LEU A 67 9.771 -3.012 -6.350 1.00 0.30 C ATOM 1065 CD2 LEU A 67 7.607 -3.012 -7.587 1.00 0.37 C ATOM 0 H LEU A 67 10.468 -3.028 -10.154 1.00 0.41 H new ATOM 0 HA LEU A 67 8.038 -1.400 -9.960 1.00 0.39 H new ATOM 0 HB2 LEU A 67 10.555 -1.400 -8.267 1.00 0.34 H new ATOM 0 HB3 LEU A 67 8.986 -0.748 -7.839 1.00 0.34 H new ATOM 0 HG LEU A 67 9.479 -3.695 -8.339 1.00 0.33 H new ATOM 0 HD11 LEU A 67 9.492 -3.964 -5.898 1.00 0.30 H new ATOM 0 HD12 LEU A 67 10.854 -2.969 -6.465 1.00 0.30 H new ATOM 0 HD13 LEU A 67 9.442 -2.195 -5.708 1.00 0.30 H new ATOM 0 HD21 LEU A 67 7.360 -3.962 -7.112 1.00 0.37 H new ATOM 0 HD22 LEU A 67 7.220 -2.192 -6.982 1.00 0.37 H new ATOM 0 HD23 LEU A 67 7.157 -2.974 -8.579 1.00 0.37 H new ATOM 1077 N ASP A 68 11.046 -0.306 -10.727 1.00 0.40 N ATOM 1078 CA ASP A 68 11.800 0.780 -11.357 1.00 0.42 C ATOM 1079 C ASP A 68 11.249 1.029 -12.745 1.00 0.52 C ATOM 1080 O ASP A 68 11.793 0.611 -13.768 1.00 0.56 O ATOM 1081 CB ASP A 68 13.300 0.442 -11.400 1.00 0.43 C ATOM 1082 CG ASP A 68 14.114 1.365 -12.292 1.00 0.46 C ATOM 1083 OD1 ASP A 68 14.258 2.559 -11.960 1.00 1.23 O ATOM 1084 OD2 ASP A 68 14.639 0.885 -13.329 1.00 1.13 O ATOM 0 H ASP A 68 11.608 -1.134 -10.532 1.00 0.40 H new ATOM 0 HA ASP A 68 11.690 1.691 -10.769 1.00 0.42 H new ATOM 0 HB2 ASP A 68 13.701 0.485 -10.387 1.00 0.43 H new ATOM 0 HB3 ASP A 68 13.421 -0.584 -11.748 1.00 0.43 H new ATOM 1089 N THR A 69 10.121 1.674 -12.738 1.00 0.59 N ATOM 1090 CA THR A 69 9.393 1.993 -13.931 1.00 0.74 C ATOM 1091 C THR A 69 9.865 3.333 -14.467 1.00 0.84 C ATOM 1092 O THR A 69 9.654 3.673 -15.633 1.00 0.99 O ATOM 1093 CB THR A 69 7.889 2.019 -13.614 1.00 0.79 C ATOM 1094 OG1 THR A 69 7.120 1.879 -14.816 1.00 0.90 O ATOM 1095 CG2 THR A 69 7.508 3.309 -12.905 1.00 0.83 C ATOM 0 H THR A 69 9.670 2.001 -11.883 1.00 0.59 H new ATOM 0 HA THR A 69 9.571 1.237 -14.696 1.00 0.74 H new ATOM 0 HB THR A 69 7.670 1.180 -12.953 1.00 0.79 H new ATOM 0 HG1 THR A 69 6.165 1.896 -14.597 1.00 0.90 H new ATOM 0 HG21 THR A 69 6.439 3.305 -12.691 1.00 0.83 H new ATOM 0 HG22 THR A 69 8.065 3.389 -11.971 1.00 0.83 H new ATOM 0 HG23 THR A 69 7.747 4.159 -13.544 1.00 0.83 H new ATOM 1103 N ASN A 70 10.525 4.074 -13.597 1.00 0.80 N ATOM 1104 CA ASN A 70 11.117 5.342 -13.957 1.00 0.94 C ATOM 1105 C ASN A 70 12.460 5.105 -14.623 1.00 0.86 C ATOM 1106 O ASN A 70 13.040 5.996 -15.249 1.00 0.97 O ATOM 1107 CB ASN A 70 11.288 6.179 -12.699 1.00 1.01 C ATOM 1108 CG ASN A 70 11.660 7.619 -12.983 1.00 1.25 C ATOM 1109 OD1 ASN A 70 11.311 8.171 -14.026 1.00 1.46 O ATOM 1110 ND2 ASN A 70 12.364 8.239 -12.049 1.00 1.66 N ATOM 0 H ASN A 70 10.664 3.811 -12.621 1.00 0.80 H new ATOM 0 HA ASN A 70 10.472 5.873 -14.657 1.00 0.94 H new ATOM 0 HB2 ASN A 70 10.360 6.157 -12.127 1.00 1.01 H new ATOM 0 HB3 ASN A 70 12.059 5.729 -12.073 1.00 1.01 H new ATOM 0 HD21 ASN A 70 12.638 9.213 -12.179 1.00 1.66 H new ATOM 0 HD22 ASN A 70 12.632 7.743 -11.199 1.00 1.66 H new ATOM 1117 N SER A 71 12.928 3.867 -14.469 1.00 0.70 N ATOM 1118 CA SER A 71 14.158 3.392 -15.078 1.00 0.66 C ATOM 1119 C SER A 71 15.342 4.235 -14.625 1.00 0.61 C ATOM 1120 O SER A 71 16.266 4.512 -15.391 1.00 0.65 O ATOM 1121 CB SER A 71 14.030 3.384 -16.607 1.00 0.82 C ATOM 1122 OG SER A 71 15.154 2.773 -17.216 1.00 1.47 O ATOM 0 H SER A 71 12.452 3.160 -13.909 1.00 0.70 H new ATOM 0 HA SER A 71 14.337 2.368 -14.751 1.00 0.66 H new ATOM 0 HB2 SER A 71 13.124 2.851 -16.895 1.00 0.82 H new ATOM 0 HB3 SER A 71 13.928 4.406 -16.971 1.00 0.82 H new ATOM 0 HG SER A 71 15.975 3.192 -16.883 1.00 1.47 H new ATOM 1128 N ASP A 72 15.316 4.611 -13.361 1.00 0.58 N ATOM 1129 CA ASP A 72 16.345 5.462 -12.794 1.00 0.65 C ATOM 1130 C ASP A 72 17.270 4.635 -11.912 1.00 0.56 C ATOM 1131 O ASP A 72 18.390 5.042 -11.597 1.00 0.66 O ATOM 1132 CB ASP A 72 15.700 6.587 -11.983 1.00 0.80 C ATOM 1133 CG ASP A 72 16.687 7.662 -11.590 1.00 0.93 C ATOM 1134 OD1 ASP A 72 16.959 8.556 -12.419 1.00 1.53 O ATOM 1135 OD2 ASP A 72 17.188 7.634 -10.453 1.00 1.56 O ATOM 0 H ASP A 72 14.587 4.338 -12.702 1.00 0.58 H new ATOM 0 HA ASP A 72 16.932 5.904 -13.599 1.00 0.65 H new ATOM 0 HB2 ASP A 72 14.895 7.034 -12.566 1.00 0.80 H new ATOM 0 HB3 ASP A 72 15.248 6.168 -11.084 1.00 0.80 H new ATOM 1140 N GLY A 73 16.797 3.456 -11.529 1.00 0.45 N ATOM 1141 CA GLY A 73 17.587 2.574 -10.693 1.00 0.46 C ATOM 1142 C GLY A 73 17.210 2.720 -9.241 1.00 0.41 C ATOM 1143 O GLY A 73 17.851 2.152 -8.352 1.00 0.44 O ATOM 0 H GLY A 73 15.878 3.094 -11.783 1.00 0.45 H new ATOM 0 HA2 GLY A 73 17.440 1.541 -11.008 1.00 0.46 H new ATOM 0 HA3 GLY A 73 18.646 2.798 -10.821 1.00 0.46 H new ATOM 1147 N GLN A 74 16.169 3.498 -9.009 1.00 0.38 N ATOM 1148 CA GLN A 74 15.642 3.711 -7.685 1.00 0.37 C ATOM 1149 C GLN A 74 14.147 3.498 -7.727 1.00 0.36 C ATOM 1150 O GLN A 74 13.550 3.490 -8.800 1.00 0.39 O ATOM 1151 CB GLN A 74 15.913 5.132 -7.195 1.00 0.38 C ATOM 1152 CG GLN A 74 17.360 5.578 -7.298 1.00 0.42 C ATOM 1153 CD GLN A 74 17.600 6.912 -6.621 1.00 0.50 C ATOM 1154 OE1 GLN A 74 17.881 6.877 -5.329 1.00 1.03 O flip ATOM 1155 NE2 GLN A 74 17.516 7.966 -7.243 1.00 1.25 N flip ATOM 0 H GLN A 74 15.667 4.000 -9.741 1.00 0.38 H new ATOM 0 HA GLN A 74 16.128 3.013 -7.004 1.00 0.37 H new ATOM 0 HB2 GLN A 74 15.294 5.822 -7.767 1.00 0.38 H new ATOM 0 HB3 GLN A 74 15.598 5.208 -6.154 1.00 0.38 H new ATOM 0 HG2 GLN A 74 18.004 4.823 -6.847 1.00 0.42 H new ATOM 0 HG3 GLN A 74 17.642 5.650 -8.348 1.00 0.42 H new ATOM 0 HE21 GLN A 74 17.297 7.954 -8.239 1.00 1.25 H new ATOM 0 HE22 GLN A 74 17.665 8.854 -6.764 1.00 1.25 H new ATOM 1164 N LEU A 75 13.549 3.335 -6.570 1.00 0.33 N ATOM 1165 CA LEU A 75 12.112 3.201 -6.489 1.00 0.32 C ATOM 1166 C LEU A 75 11.513 4.399 -5.812 1.00 0.32 C ATOM 1167 O LEU A 75 11.712 4.619 -4.616 1.00 0.32 O ATOM 1168 CB LEU A 75 11.721 1.933 -5.743 1.00 0.31 C ATOM 1169 CG LEU A 75 12.306 0.667 -6.344 1.00 0.33 C ATOM 1170 CD1 LEU A 75 11.833 -0.551 -5.577 1.00 0.35 C ATOM 1171 CD2 LEU A 75 11.930 0.583 -7.815 1.00 0.35 C ATOM 0 H LEU A 75 14.033 3.292 -5.673 1.00 0.33 H new ATOM 0 HA LEU A 75 11.724 3.134 -7.505 1.00 0.32 H new ATOM 0 HB2 LEU A 75 12.047 2.017 -4.706 1.00 0.31 H new ATOM 0 HB3 LEU A 75 10.634 1.850 -5.730 1.00 0.31 H new ATOM 0 HG LEU A 75 13.393 0.696 -6.269 1.00 0.33 H new ATOM 0 HD11 LEU A 75 12.262 -1.450 -6.021 1.00 0.35 H new ATOM 0 HD12 LEU A 75 12.151 -0.473 -4.537 1.00 0.35 H new ATOM 0 HD13 LEU A 75 10.745 -0.608 -5.620 1.00 0.35 H new ATOM 0 HD21 LEU A 75 12.350 -0.326 -8.247 1.00 0.35 H new ATOM 0 HD22 LEU A 75 10.845 0.563 -7.913 1.00 0.35 H new ATOM 0 HD23 LEU A 75 12.326 1.451 -8.342 1.00 0.35 H new ATOM 1183 N ASP A 76 10.796 5.181 -6.582 1.00 0.35 N ATOM 1184 CA ASP A 76 10.080 6.315 -6.041 1.00 0.36 C ATOM 1185 C ASP A 76 8.892 5.793 -5.251 1.00 0.33 C ATOM 1186 O ASP A 76 8.651 4.590 -5.241 1.00 0.32 O ATOM 1187 CB ASP A 76 9.657 7.264 -7.166 1.00 0.44 C ATOM 1188 CG ASP A 76 8.161 7.256 -7.434 1.00 0.91 C ATOM 1189 OD1 ASP A 76 7.673 6.326 -8.099 1.00 1.68 O ATOM 1190 OD2 ASP A 76 7.460 8.183 -6.970 1.00 1.45 O ATOM 0 H ASP A 76 10.692 5.054 -7.589 1.00 0.35 H new ATOM 0 HA ASP A 76 10.719 6.892 -5.373 1.00 0.36 H new ATOM 0 HB2 ASP A 76 9.967 8.278 -6.912 1.00 0.44 H new ATOM 0 HB3 ASP A 76 10.184 6.989 -8.080 1.00 0.44 H new ATOM 1195 N PHE A 77 8.157 6.664 -4.593 1.00 0.41 N ATOM 1196 CA PHE A 77 7.118 6.217 -3.685 1.00 0.49 C ATOM 1197 C PHE A 77 6.092 5.324 -4.386 1.00 0.39 C ATOM 1198 O PHE A 77 5.703 4.294 -3.848 1.00 0.39 O ATOM 1199 CB PHE A 77 6.438 7.405 -3.030 1.00 0.72 C ATOM 1200 CG PHE A 77 5.773 7.051 -1.738 1.00 1.76 C ATOM 1201 CD1 PHE A 77 6.490 6.431 -0.729 1.00 2.56 C ATOM 1202 CD2 PHE A 77 4.438 7.325 -1.534 1.00 2.66 C ATOM 1203 CE1 PHE A 77 5.883 6.093 0.462 1.00 3.67 C ATOM 1204 CE2 PHE A 77 3.827 6.990 -0.345 1.00 3.77 C ATOM 1205 CZ PHE A 77 4.548 6.371 0.654 1.00 4.15 C ATOM 0 H PHE A 77 8.256 7.676 -4.667 1.00 0.41 H new ATOM 0 HA PHE A 77 7.595 5.615 -2.911 1.00 0.49 H new ATOM 0 HB2 PHE A 77 7.176 8.187 -2.851 1.00 0.72 H new ATOM 0 HB3 PHE A 77 5.696 7.816 -3.715 1.00 0.72 H new ATOM 0 HD1 PHE A 77 7.537 6.210 -0.876 1.00 2.56 H new ATOM 0 HD2 PHE A 77 3.865 7.807 -2.313 1.00 2.66 H new ATOM 0 HE1 PHE A 77 6.453 5.611 1.243 1.00 3.67 H new ATOM 0 HE2 PHE A 77 2.781 7.213 -0.195 1.00 3.77 H new ATOM 0 HZ PHE A 77 4.067 6.105 1.584 1.00 4.15 H new ATOM 1215 N SER A 78 5.668 5.700 -5.588 1.00 0.39 N ATOM 1216 CA SER A 78 4.721 4.881 -6.342 1.00 0.38 C ATOM 1217 C SER A 78 5.350 3.560 -6.783 1.00 0.38 C ATOM 1218 O SER A 78 4.659 2.551 -6.907 1.00 0.44 O ATOM 1219 CB SER A 78 4.169 5.639 -7.555 1.00 0.45 C ATOM 1220 OG SER A 78 5.196 6.129 -8.401 1.00 1.31 O ATOM 0 H SER A 78 5.960 6.557 -6.058 1.00 0.39 H new ATOM 0 HA SER A 78 3.891 4.655 -5.673 1.00 0.38 H new ATOM 0 HB2 SER A 78 3.516 4.979 -8.126 1.00 0.45 H new ATOM 0 HB3 SER A 78 3.557 6.473 -7.211 1.00 0.45 H new ATOM 0 HG SER A 78 6.056 6.081 -7.933 1.00 1.31 H new ATOM 1226 N GLU A 79 6.659 3.564 -6.999 1.00 0.36 N ATOM 1227 CA GLU A 79 7.374 2.352 -7.389 1.00 0.42 C ATOM 1228 C GLU A 79 7.580 1.461 -6.165 1.00 0.33 C ATOM 1229 O GLU A 79 7.504 0.234 -6.236 1.00 0.33 O ATOM 1230 CB GLU A 79 8.710 2.723 -8.034 1.00 0.51 C ATOM 1231 CG GLU A 79 8.543 3.609 -9.258 1.00 0.64 C ATOM 1232 CD GLU A 79 9.857 4.086 -9.842 1.00 1.81 C ATOM 1233 OE1 GLU A 79 10.466 5.008 -9.264 1.00 2.57 O ATOM 1234 OE2 GLU A 79 10.262 3.572 -10.900 1.00 2.54 O ATOM 0 H GLU A 79 7.249 4.392 -6.911 1.00 0.36 H new ATOM 0 HA GLU A 79 6.787 1.798 -8.121 1.00 0.42 H new ATOM 0 HB2 GLU A 79 9.333 3.236 -7.301 1.00 0.51 H new ATOM 0 HB3 GLU A 79 9.237 1.812 -8.319 1.00 0.51 H new ATOM 0 HG2 GLU A 79 7.993 3.060 -10.022 1.00 0.64 H new ATOM 0 HG3 GLU A 79 7.938 4.475 -8.990 1.00 0.64 H new ATOM 1241 N PHE A 80 7.817 2.111 -5.039 1.00 0.28 N ATOM 1242 CA PHE A 80 7.908 1.451 -3.748 1.00 0.25 C ATOM 1243 C PHE A 80 6.565 0.842 -3.369 1.00 0.23 C ATOM 1244 O PHE A 80 6.486 -0.302 -2.929 1.00 0.26 O ATOM 1245 CB PHE A 80 8.331 2.478 -2.699 1.00 0.31 C ATOM 1246 CG PHE A 80 8.218 1.999 -1.285 1.00 0.71 C ATOM 1247 CD1 PHE A 80 9.130 1.099 -0.770 1.00 1.26 C ATOM 1248 CD2 PHE A 80 7.199 2.462 -0.469 1.00 1.60 C ATOM 1249 CE1 PHE A 80 9.028 0.668 0.532 1.00 1.56 C ATOM 1250 CE2 PHE A 80 7.093 2.033 0.836 1.00 1.98 C ATOM 1251 CZ PHE A 80 8.009 1.134 1.337 1.00 1.64 C ATOM 0 H PHE A 80 7.953 3.121 -4.995 1.00 0.28 H new ATOM 0 HA PHE A 80 8.645 0.649 -3.800 1.00 0.25 H new ATOM 0 HB2 PHE A 80 9.364 2.770 -2.890 1.00 0.31 H new ATOM 0 HB3 PHE A 80 7.720 3.373 -2.817 1.00 0.31 H new ATOM 0 HD1 PHE A 80 9.930 0.731 -1.395 1.00 1.26 H new ATOM 0 HD2 PHE A 80 6.480 3.167 -0.860 1.00 1.60 H new ATOM 0 HE1 PHE A 80 9.746 -0.036 0.925 1.00 1.56 H new ATOM 0 HE2 PHE A 80 6.295 2.400 1.464 1.00 1.98 H new ATOM 0 HZ PHE A 80 7.929 0.794 2.359 1.00 1.64 H new ATOM 1261 N LEU A 81 5.511 1.617 -3.545 1.00 0.25 N ATOM 1262 CA LEU A 81 4.168 1.159 -3.244 1.00 0.26 C ATOM 1263 C LEU A 81 3.714 0.126 -4.243 1.00 0.26 C ATOM 1264 O LEU A 81 2.846 -0.693 -3.952 1.00 0.27 O ATOM 1265 CB LEU A 81 3.203 2.325 -3.242 1.00 0.29 C ATOM 1266 CG LEU A 81 3.445 3.345 -2.135 1.00 0.28 C ATOM 1267 CD1 LEU A 81 2.445 4.471 -2.250 1.00 0.34 C ATOM 1268 CD2 LEU A 81 3.380 2.681 -0.757 1.00 0.29 C ATOM 0 H LEU A 81 5.560 2.573 -3.897 1.00 0.25 H new ATOM 0 HA LEU A 81 4.183 0.703 -2.254 1.00 0.26 H new ATOM 0 HB2 LEU A 81 3.264 2.832 -4.205 1.00 0.29 H new ATOM 0 HB3 LEU A 81 2.188 1.940 -3.148 1.00 0.29 H new ATOM 0 HG LEU A 81 4.447 3.759 -2.249 1.00 0.28 H new ATOM 0 HD11 LEU A 81 2.622 5.197 -1.457 1.00 0.34 H new ATOM 0 HD12 LEU A 81 2.555 4.958 -3.219 1.00 0.34 H new ATOM 0 HD13 LEU A 81 1.435 4.072 -2.157 1.00 0.34 H new ATOM 0 HD21 LEU A 81 3.556 3.429 0.016 1.00 0.29 H new ATOM 0 HD22 LEU A 81 2.395 2.236 -0.614 1.00 0.29 H new ATOM 0 HD23 LEU A 81 4.142 1.905 -0.691 1.00 0.29 H new ATOM 1280 N ASN A 82 4.294 0.179 -5.425 1.00 0.26 N ATOM 1281 CA ASN A 82 4.052 -0.838 -6.428 1.00 0.26 C ATOM 1282 C ASN A 82 4.481 -2.183 -5.861 1.00 0.23 C ATOM 1283 O ASN A 82 3.814 -3.204 -6.033 1.00 0.25 O ATOM 1284 CB ASN A 82 4.854 -0.539 -7.699 1.00 0.30 C ATOM 1285 CG ASN A 82 4.359 -1.317 -8.905 1.00 0.79 C ATOM 1286 OD1 ASN A 82 4.792 -2.444 -9.153 1.00 1.51 O ATOM 1287 ND2 ASN A 82 3.463 -0.716 -9.672 1.00 1.42 N ATOM 0 H ASN A 82 4.937 0.916 -5.715 1.00 0.26 H new ATOM 0 HA ASN A 82 2.993 -0.852 -6.685 1.00 0.26 H new ATOM 0 HB2 ASN A 82 4.800 0.528 -7.914 1.00 0.30 H new ATOM 0 HB3 ASN A 82 5.903 -0.777 -7.525 1.00 0.30 H new ATOM 0 HD21 ASN A 82 3.106 -1.187 -10.503 1.00 1.42 H new ATOM 0 HD22 ASN A 82 3.130 0.218 -9.432 1.00 1.42 H new ATOM 1294 N LEU A 83 5.615 -2.152 -5.173 1.00 0.23 N ATOM 1295 CA LEU A 83 6.128 -3.301 -4.453 1.00 0.24 C ATOM 1296 C LEU A 83 5.175 -3.722 -3.348 1.00 0.23 C ATOM 1297 O LEU A 83 4.820 -4.894 -3.239 1.00 0.25 O ATOM 1298 CB LEU A 83 7.474 -2.961 -3.840 1.00 0.27 C ATOM 1299 CG LEU A 83 7.904 -3.888 -2.716 1.00 0.31 C ATOM 1300 CD1 LEU A 83 8.311 -5.241 -3.273 1.00 0.35 C ATOM 1301 CD2 LEU A 83 9.015 -3.258 -1.897 1.00 0.36 C ATOM 0 H LEU A 83 6.205 -1.323 -5.101 1.00 0.23 H new ATOM 0 HA LEU A 83 6.233 -4.124 -5.160 1.00 0.24 H new ATOM 0 HB2 LEU A 83 8.232 -2.983 -4.623 1.00 0.27 H new ATOM 0 HB3 LEU A 83 7.439 -1.940 -3.459 1.00 0.27 H new ATOM 0 HG LEU A 83 7.058 -4.047 -2.047 1.00 0.31 H new ATOM 0 HD11 LEU A 83 8.617 -5.894 -2.456 1.00 0.35 H new ATOM 0 HD12 LEU A 83 7.466 -5.687 -3.798 1.00 0.35 H new ATOM 0 HD13 LEU A 83 9.143 -5.114 -3.966 1.00 0.35 H new ATOM 0 HD21 LEU A 83 9.308 -3.938 -1.097 1.00 0.36 H new ATOM 0 HD22 LEU A 83 9.874 -3.061 -2.539 1.00 0.36 H new ATOM 0 HD23 LEU A 83 8.662 -2.321 -1.465 1.00 0.36 H new ATOM 1313 N ILE A 84 4.788 -2.757 -2.522 1.00 0.24 N ATOM 1314 CA ILE A 84 3.839 -2.998 -1.444 1.00 0.26 C ATOM 1315 C ILE A 84 2.573 -3.647 -1.994 1.00 0.27 C ATOM 1316 O ILE A 84 1.956 -4.480 -1.335 1.00 0.29 O ATOM 1317 CB ILE A 84 3.521 -1.684 -0.682 1.00 0.29 C ATOM 1318 CG1 ILE A 84 4.474 -1.512 0.507 1.00 0.55 C ATOM 1319 CG2 ILE A 84 2.072 -1.634 -0.207 1.00 0.47 C ATOM 1320 CD1 ILE A 84 5.938 -1.466 0.128 1.00 0.62 C ATOM 0 H ILE A 84 5.120 -1.794 -2.580 1.00 0.24 H new ATOM 0 HA ILE A 84 4.289 -3.686 -0.728 1.00 0.26 H new ATOM 0 HB ILE A 84 3.666 -0.860 -1.381 1.00 0.29 H new ATOM 0 HG12 ILE A 84 4.218 -0.593 1.033 1.00 0.55 H new ATOM 0 HG13 ILE A 84 4.317 -2.334 1.206 1.00 0.55 H new ATOM 0 HG21 ILE A 84 1.894 -0.697 0.321 1.00 0.47 H new ATOM 0 HG22 ILE A 84 1.405 -1.698 -1.067 1.00 0.47 H new ATOM 0 HG23 ILE A 84 1.880 -2.471 0.464 1.00 0.47 H new ATOM 0 HD11 ILE A 84 6.543 -1.343 1.026 1.00 0.62 H new ATOM 0 HD12 ILE A 84 6.214 -2.395 -0.370 1.00 0.62 H new ATOM 0 HD13 ILE A 84 6.113 -0.627 -0.545 1.00 0.62 H new ATOM 1332 N GLY A 85 2.225 -3.282 -3.221 1.00 0.26 N ATOM 1333 CA GLY A 85 1.140 -3.926 -3.912 1.00 0.29 C ATOM 1334 C GLY A 85 1.392 -5.404 -4.096 1.00 0.29 C ATOM 1335 O GLY A 85 0.578 -6.219 -3.689 1.00 0.33 O ATOM 0 H GLY A 85 2.685 -2.541 -3.750 1.00 0.26 H new ATOM 0 HA2 GLY A 85 0.216 -3.782 -3.352 1.00 0.29 H new ATOM 0 HA3 GLY A 85 1.000 -3.457 -4.886 1.00 0.29 H new ATOM 1339 N GLY A 86 2.554 -5.756 -4.643 1.00 0.28 N ATOM 1340 CA GLY A 86 2.836 -7.148 -4.949 1.00 0.31 C ATOM 1341 C GLY A 86 2.992 -7.965 -3.688 1.00 0.29 C ATOM 1342 O GLY A 86 2.599 -9.132 -3.625 1.00 0.35 O ATOM 0 H GLY A 86 3.302 -5.104 -4.879 1.00 0.28 H new ATOM 0 HA2 GLY A 86 2.029 -7.560 -5.555 1.00 0.31 H new ATOM 0 HA3 GLY A 86 3.747 -7.215 -5.544 1.00 0.31 H new ATOM 1346 N LEU A 87 3.557 -7.321 -2.683 1.00 0.25 N ATOM 1347 CA LEU A 87 3.708 -7.898 -1.360 1.00 0.25 C ATOM 1348 C LEU A 87 2.349 -8.189 -0.749 1.00 0.26 C ATOM 1349 O LEU A 87 2.030 -9.330 -0.410 1.00 0.29 O ATOM 1350 CB LEU A 87 4.442 -6.910 -0.469 1.00 0.25 C ATOM 1351 CG LEU A 87 5.925 -6.726 -0.755 1.00 0.26 C ATOM 1352 CD1 LEU A 87 6.430 -5.488 -0.041 1.00 0.26 C ATOM 1353 CD2 LEU A 87 6.712 -7.948 -0.309 1.00 0.35 C ATOM 0 H LEU A 87 3.927 -6.374 -2.763 1.00 0.25 H new ATOM 0 HA LEU A 87 4.269 -8.829 -1.444 1.00 0.25 H new ATOM 0 HB2 LEU A 87 3.953 -5.940 -0.556 1.00 0.25 H new ATOM 0 HB3 LEU A 87 4.329 -7.232 0.566 1.00 0.25 H new ATOM 0 HG LEU A 87 6.065 -6.604 -1.829 1.00 0.26 H new ATOM 0 HD11 LEU A 87 7.492 -5.357 -0.247 1.00 0.26 H new ATOM 0 HD12 LEU A 87 5.882 -4.615 -0.395 1.00 0.26 H new ATOM 0 HD13 LEU A 87 6.279 -5.600 1.033 1.00 0.26 H new ATOM 0 HD21 LEU A 87 7.770 -7.797 -0.522 1.00 0.35 H new ATOM 0 HD22 LEU A 87 6.575 -8.098 0.762 1.00 0.35 H new ATOM 0 HD23 LEU A 87 6.355 -8.827 -0.847 1.00 0.35 H new ATOM 1365 N ALA A 88 1.554 -7.135 -0.624 1.00 0.25 N ATOM 1366 CA ALA A 88 0.231 -7.226 -0.036 1.00 0.27 C ATOM 1367 C ALA A 88 -0.606 -8.242 -0.762 1.00 0.30 C ATOM 1368 O ALA A 88 -1.305 -9.043 -0.154 1.00 0.35 O ATOM 1369 CB ALA A 88 -0.468 -5.888 -0.098 1.00 0.27 C ATOM 0 H ALA A 88 1.811 -6.196 -0.928 1.00 0.25 H new ATOM 0 HA ALA A 88 0.351 -7.531 1.004 1.00 0.27 H new ATOM 0 HB1 ALA A 88 -1.459 -5.974 0.347 1.00 0.27 H new ATOM 0 HB2 ALA A 88 0.114 -5.148 0.452 1.00 0.27 H new ATOM 0 HB3 ALA A 88 -0.563 -5.575 -1.138 1.00 0.27 H new ATOM 1375 N MET A 89 -0.527 -8.187 -2.075 1.00 0.29 N ATOM 1376 CA MET A 89 -1.283 -9.072 -2.925 1.00 0.33 C ATOM 1377 C MET A 89 -0.913 -10.522 -2.678 1.00 0.34 C ATOM 1378 O MET A 89 -1.770 -11.399 -2.712 1.00 0.39 O ATOM 1379 CB MET A 89 -1.044 -8.707 -4.380 1.00 0.35 C ATOM 1380 CG MET A 89 -1.747 -7.433 -4.802 1.00 0.42 C ATOM 1381 SD MET A 89 -1.605 -7.138 -6.573 1.00 1.03 S ATOM 1382 CE MET A 89 -2.419 -8.593 -7.230 1.00 1.89 C ATOM 0 H MET A 89 0.064 -7.526 -2.580 1.00 0.29 H new ATOM 0 HA MET A 89 -2.341 -8.956 -2.690 1.00 0.33 H new ATOM 0 HB2 MET A 89 0.027 -8.595 -4.548 1.00 0.35 H new ATOM 0 HB3 MET A 89 -1.382 -9.527 -5.013 1.00 0.35 H new ATOM 0 HG2 MET A 89 -2.800 -7.492 -4.528 1.00 0.42 H new ATOM 0 HG3 MET A 89 -1.323 -6.588 -4.259 1.00 0.42 H new ATOM 0 HE1 MET A 89 -2.807 -8.375 -8.225 1.00 1.89 H new ATOM 0 HE2 MET A 89 -1.704 -9.414 -7.291 1.00 1.89 H new ATOM 0 HE3 MET A 89 -3.242 -8.877 -6.574 1.00 1.89 H new ATOM 1392 N ALA A 90 0.361 -10.763 -2.412 1.00 0.34 N ATOM 1393 CA ALA A 90 0.843 -12.108 -2.149 1.00 0.40 C ATOM 1394 C ALA A 90 0.346 -12.605 -0.796 1.00 0.42 C ATOM 1395 O ALA A 90 0.047 -13.787 -0.629 1.00 0.49 O ATOM 1396 CB ALA A 90 2.360 -12.140 -2.209 1.00 0.46 C ATOM 0 H ALA A 90 1.081 -10.042 -2.373 1.00 0.34 H new ATOM 0 HA ALA A 90 0.450 -12.774 -2.917 1.00 0.40 H new ATOM 0 HB1 ALA A 90 2.711 -13.153 -2.010 1.00 0.46 H new ATOM 0 HB2 ALA A 90 2.692 -11.829 -3.200 1.00 0.46 H new ATOM 0 HB3 ALA A 90 2.768 -11.461 -1.460 1.00 0.46 H new ATOM 1402 N CYS A 91 0.241 -11.690 0.160 1.00 0.41 N ATOM 1403 CA CYS A 91 -0.231 -12.028 1.496 1.00 0.47 C ATOM 1404 C CYS A 91 -1.755 -12.167 1.507 1.00 0.45 C ATOM 1405 O CYS A 91 -2.305 -13.026 2.193 1.00 0.51 O ATOM 1406 CB CYS A 91 0.231 -10.966 2.501 1.00 0.55 C ATOM 1407 SG CYS A 91 -0.137 -11.353 4.227 1.00 1.76 S ATOM 0 H CYS A 91 0.477 -10.706 0.034 1.00 0.41 H new ATOM 0 HA CYS A 91 0.195 -12.987 1.789 1.00 0.47 H new ATOM 0 HB2 CYS A 91 1.307 -10.828 2.395 1.00 0.55 H new ATOM 0 HB3 CYS A 91 -0.239 -10.016 2.247 1.00 0.55 H new ATOM 0 HG CYS A 91 0.635 -10.651 5.003 1.00 1.76 H new ATOM 1413 N HIS A 92 -2.435 -11.335 0.731 1.00 0.41 N ATOM 1414 CA HIS A 92 -3.881 -11.440 0.581 1.00 0.46 C ATOM 1415 C HIS A 92 -4.213 -12.724 -0.158 1.00 0.45 C ATOM 1416 O HIS A 92 -5.183 -13.406 0.159 1.00 0.49 O ATOM 1417 CB HIS A 92 -4.438 -10.230 -0.176 1.00 0.54 C ATOM 1418 CG HIS A 92 -5.935 -10.219 -0.300 1.00 1.21 C ATOM 1419 ND1 HIS A 92 -6.768 -9.798 0.714 1.00 2.13 N ATOM 1420 CD2 HIS A 92 -6.748 -10.573 -1.327 1.00 1.96 C ATOM 1421 CE1 HIS A 92 -8.025 -9.897 0.320 1.00 2.74 C ATOM 1422 NE2 HIS A 92 -8.039 -10.360 -0.912 1.00 2.62 N ATOM 0 H HIS A 92 -2.009 -10.579 0.195 1.00 0.41 H new ATOM 0 HA HIS A 92 -4.342 -11.458 1.569 1.00 0.46 H new ATOM 0 HB2 HIS A 92 -4.120 -9.320 0.332 1.00 0.54 H new ATOM 0 HB3 HIS A 92 -4.001 -10.207 -1.174 1.00 0.54 H new ATOM 0 HD2 HIS A 92 -6.438 -10.951 -2.290 1.00 1.96 H new ATOM 0 HE1 HIS A 92 -8.894 -9.641 0.909 1.00 2.74 H new ATOM 0 HE2 HIS A 92 -8.876 -10.533 -1.469 1.00 2.62 H new ATOM 1431 N ASP A 93 -3.388 -13.037 -1.142 1.00 0.45 N ATOM 1432 CA ASP A 93 -3.487 -14.291 -1.871 1.00 0.52 C ATOM 1433 C ASP A 93 -3.274 -15.459 -0.917 1.00 0.56 C ATOM 1434 O ASP A 93 -3.966 -16.471 -0.990 1.00 0.65 O ATOM 1435 CB ASP A 93 -2.445 -14.310 -2.989 1.00 0.54 C ATOM 1436 CG ASP A 93 -2.475 -15.581 -3.809 1.00 0.93 C ATOM 1437 OD1 ASP A 93 -3.290 -15.665 -4.751 1.00 1.75 O ATOM 1438 OD2 ASP A 93 -1.667 -16.489 -3.524 1.00 1.48 O ATOM 0 H ASP A 93 -2.631 -12.430 -1.458 1.00 0.45 H new ATOM 0 HA ASP A 93 -4.479 -14.384 -2.313 1.00 0.52 H new ATOM 0 HB2 ASP A 93 -2.611 -13.457 -3.647 1.00 0.54 H new ATOM 0 HB3 ASP A 93 -1.453 -14.189 -2.554 1.00 0.54 H new ATOM 1443 N SER A 94 -2.330 -15.280 0.002 1.00 0.54 N ATOM 1444 CA SER A 94 -2.062 -16.251 1.052 1.00 0.60 C ATOM 1445 C SER A 94 -3.311 -16.454 1.891 1.00 0.63 C ATOM 1446 O SER A 94 -3.717 -17.577 2.155 1.00 0.70 O ATOM 1447 CB SER A 94 -0.931 -15.748 1.949 1.00 0.65 C ATOM 1448 OG SER A 94 -0.477 -16.759 2.833 1.00 1.27 O ATOM 0 H SER A 94 -1.730 -14.456 0.038 1.00 0.54 H new ATOM 0 HA SER A 94 -1.770 -17.196 0.594 1.00 0.60 H new ATOM 0 HB2 SER A 94 -0.101 -15.405 1.331 1.00 0.65 H new ATOM 0 HB3 SER A 94 -1.277 -14.889 2.524 1.00 0.65 H new ATOM 0 HG SER A 94 0.247 -16.405 3.391 1.00 1.27 H new ATOM 1454 N PHE A 95 -3.918 -15.344 2.290 1.00 0.60 N ATOM 1455 CA PHE A 95 -5.152 -15.363 3.059 1.00 0.66 C ATOM 1456 C PHE A 95 -6.217 -16.161 2.326 1.00 0.72 C ATOM 1457 O PHE A 95 -6.908 -16.975 2.916 1.00 0.84 O ATOM 1458 CB PHE A 95 -5.649 -13.933 3.291 1.00 0.64 C ATOM 1459 CG PHE A 95 -5.235 -13.341 4.609 1.00 0.78 C ATOM 1460 CD1 PHE A 95 -4.012 -12.707 4.750 1.00 1.80 C ATOM 1461 CD2 PHE A 95 -6.079 -13.410 5.707 1.00 1.30 C ATOM 1462 CE1 PHE A 95 -3.636 -12.156 5.961 1.00 2.35 C ATOM 1463 CE2 PHE A 95 -5.709 -12.861 6.919 1.00 1.76 C ATOM 1464 CZ PHE A 95 -4.486 -12.233 7.046 1.00 2.08 C ATOM 0 H PHE A 95 -3.568 -14.407 2.089 1.00 0.60 H new ATOM 0 HA PHE A 95 -4.954 -15.835 4.021 1.00 0.66 H new ATOM 0 HB2 PHE A 95 -5.278 -13.297 2.488 1.00 0.64 H new ATOM 0 HB3 PHE A 95 -6.737 -13.924 3.228 1.00 0.64 H new ATOM 0 HD1 PHE A 95 -3.344 -12.642 3.904 1.00 1.80 H new ATOM 0 HD2 PHE A 95 -7.037 -13.899 5.613 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -2.678 -11.666 6.058 1.00 2.35 H new ATOM 0 HE2 PHE A 95 -6.376 -12.923 7.767 1.00 1.76 H new ATOM 0 HZ PHE A 95 -4.195 -11.803 7.993 1.00 2.08 H new ATOM 1737 N PRO B 7 5.794 -9.360 11.513 1.00 0.70 N ATOM 1738 CA PRO B 7 5.848 -8.428 10.390 1.00 0.54 C ATOM 1739 C PRO B 7 6.559 -7.135 10.770 1.00 0.45 C ATOM 1740 O PRO B 7 6.661 -6.786 11.949 1.00 0.57 O ATOM 1741 CB PRO B 7 4.374 -8.152 10.149 1.00 0.62 C ATOM 1742 CG PRO B 7 3.842 -8.067 11.528 1.00 0.75 C ATOM 1743 CD PRO B 7 4.533 -9.178 12.279 1.00 0.82 C ATOM 0 HA PRO B 7 6.389 -8.821 9.529 1.00 0.54 H new ATOM 0 HB2 PRO B 7 4.218 -7.226 9.595 1.00 0.62 H new ATOM 0 HB3 PRO B 7 3.899 -8.949 9.578 1.00 0.62 H new ATOM 0 HG2 PRO B 7 4.055 -7.096 11.975 1.00 0.75 H new ATOM 0 HG3 PRO B 7 2.759 -8.194 11.543 1.00 0.75 H new ATOM 0 HD2 PRO B 7 4.726 -8.906 13.317 1.00 0.82 H new ATOM 0 HD3 PRO B 7 3.934 -10.089 12.295 1.00 0.82 H new ATOM 1751 N THR B 8 7.048 -6.432 9.774 1.00 0.34 N ATOM 1752 CA THR B 8 7.635 -5.126 9.988 1.00 0.27 C ATOM 1753 C THR B 8 6.574 -4.057 9.804 1.00 0.28 C ATOM 1754 O THR B 8 5.401 -4.383 9.613 1.00 0.34 O ATOM 1755 CB THR B 8 8.775 -4.894 9.005 1.00 0.29 C ATOM 1756 OG1 THR B 8 8.250 -4.817 7.676 1.00 0.37 O ATOM 1757 CG2 THR B 8 9.778 -6.025 9.109 1.00 0.33 C ATOM 0 H THR B 8 7.051 -6.743 8.803 1.00 0.34 H new ATOM 0 HA THR B 8 8.030 -5.076 11.003 1.00 0.27 H new ATOM 0 HB THR B 8 9.278 -3.957 9.243 1.00 0.29 H new ATOM 0 HG1 THR B 8 8.904 -5.183 7.044 1.00 0.37 H new ATOM 0 HG21 THR B 8 10.592 -5.855 8.404 1.00 0.33 H new ATOM 0 HG22 THR B 8 10.178 -6.065 10.122 1.00 0.33 H new ATOM 0 HG23 THR B 8 9.287 -6.970 8.875 1.00 0.33 H new ATOM 1765 N GLU B 9 6.980 -2.793 9.834 1.00 0.28 N ATOM 1766 CA GLU B 9 6.038 -1.688 9.679 1.00 0.33 C ATOM 1767 C GLU B 9 5.239 -1.849 8.393 1.00 0.36 C ATOM 1768 O GLU B 9 4.016 -1.831 8.414 1.00 0.52 O ATOM 1769 CB GLU B 9 6.771 -0.347 9.668 1.00 0.40 C ATOM 1770 CG GLU B 9 5.832 0.848 9.651 1.00 0.56 C ATOM 1771 CD GLU B 9 5.079 1.009 10.952 1.00 1.73 C ATOM 1772 OE1 GLU B 9 5.651 1.550 11.919 1.00 2.47 O ATOM 1773 OE2 GLU B 9 3.908 0.603 11.011 1.00 2.48 O ATOM 0 H GLU B 9 7.951 -2.507 9.964 1.00 0.28 H new ATOM 0 HA GLU B 9 5.355 -1.705 10.528 1.00 0.33 H new ATOM 0 HB2 GLU B 9 7.413 -0.284 10.547 1.00 0.40 H new ATOM 0 HB3 GLU B 9 7.421 -0.303 8.794 1.00 0.40 H new ATOM 0 HG2 GLU B 9 6.405 1.754 9.452 1.00 0.56 H new ATOM 0 HG3 GLU B 9 5.120 0.735 8.834 1.00 0.56 H new ATOM 1780 N THR B 10 5.934 -2.057 7.286 1.00 0.26 N ATOM 1781 CA THR B 10 5.284 -2.181 5.995 1.00 0.27 C ATOM 1782 C THR B 10 4.486 -3.467 5.905 1.00 0.27 C ATOM 1783 O THR B 10 3.409 -3.476 5.330 1.00 0.31 O ATOM 1784 CB THR B 10 6.293 -2.104 4.824 1.00 0.27 C ATOM 1785 OG1 THR B 10 5.707 -2.609 3.616 1.00 0.40 O ATOM 1786 CG2 THR B 10 7.562 -2.877 5.154 1.00 0.26 C ATOM 0 H THR B 10 6.950 -2.143 7.258 1.00 0.26 H new ATOM 0 HA THR B 10 4.603 -1.335 5.907 1.00 0.27 H new ATOM 0 HB THR B 10 6.554 -1.057 4.673 1.00 0.27 H new ATOM 0 HG1 THR B 10 6.359 -2.551 2.887 1.00 0.40 H new ATOM 0 HG21 THR B 10 8.257 -2.809 4.317 1.00 0.26 H new ATOM 0 HG22 THR B 10 8.025 -2.453 6.045 1.00 0.26 H new ATOM 0 HG23 THR B 10 7.314 -3.923 5.336 1.00 0.26 H new ATOM 1794 N GLU B 11 4.992 -4.541 6.493 1.00 0.24 N ATOM 1795 CA GLU B 11 4.318 -5.827 6.387 1.00 0.27 C ATOM 1796 C GLU B 11 3.010 -5.824 7.150 1.00 0.30 C ATOM 1797 O GLU B 11 1.977 -6.232 6.629 1.00 0.32 O ATOM 1798 CB GLU B 11 5.198 -6.949 6.893 1.00 0.29 C ATOM 1799 CG GLU B 11 6.555 -6.964 6.245 1.00 0.41 C ATOM 1800 CD GLU B 11 7.275 -8.273 6.462 1.00 1.11 C ATOM 1801 OE1 GLU B 11 7.692 -8.541 7.608 1.00 1.85 O ATOM 1802 OE2 GLU B 11 7.423 -9.038 5.493 1.00 1.71 O ATOM 0 H GLU B 11 5.853 -4.550 7.040 1.00 0.24 H new ATOM 0 HA GLU B 11 4.108 -5.994 5.330 1.00 0.27 H new ATOM 0 HB2 GLU B 11 5.317 -6.853 7.972 1.00 0.29 H new ATOM 0 HB3 GLU B 11 4.703 -7.903 6.711 1.00 0.29 H new ATOM 0 HG2 GLU B 11 6.447 -6.783 5.175 1.00 0.41 H new ATOM 0 HG3 GLU B 11 7.157 -6.149 6.647 1.00 0.41 H new ATOM 1809 N ARG B 12 3.053 -5.347 8.382 1.00 0.35 N ATOM 1810 CA ARG B 12 1.852 -5.281 9.196 1.00 0.42 C ATOM 1811 C ARG B 12 0.878 -4.292 8.582 1.00 0.43 C ATOM 1812 O ARG B 12 -0.334 -4.479 8.630 1.00 0.47 O ATOM 1813 CB ARG B 12 2.185 -4.917 10.655 1.00 0.48 C ATOM 1814 CG ARG B 12 2.856 -3.562 10.867 1.00 0.49 C ATOM 1815 CD ARG B 12 1.872 -2.412 10.751 1.00 0.56 C ATOM 1816 NE ARG B 12 2.269 -1.271 11.570 1.00 1.08 N ATOM 1817 CZ ARG B 12 1.801 -1.020 12.792 1.00 1.34 C ATOM 1818 NH1 ARG B 12 0.893 -1.811 13.348 1.00 1.86 N ATOM 1819 NH2 ARG B 12 2.244 0.039 13.453 1.00 1.95 N ATOM 0 H ARG B 12 3.898 -5.003 8.837 1.00 0.35 H new ATOM 0 HA ARG B 12 1.383 -6.265 9.217 1.00 0.42 H new ATOM 0 HB2 ARG B 12 1.262 -4.938 11.234 1.00 0.48 H new ATOM 0 HB3 ARG B 12 2.835 -5.691 11.063 1.00 0.48 H new ATOM 0 HG2 ARG B 12 3.324 -3.540 11.851 1.00 0.49 H new ATOM 0 HG3 ARG B 12 3.651 -3.433 10.133 1.00 0.49 H new ATOM 0 HD2 ARG B 12 1.797 -2.102 9.709 1.00 0.56 H new ATOM 0 HD3 ARG B 12 0.881 -2.750 11.055 1.00 0.56 H new ATOM 0 HE ARG B 12 2.952 -0.621 11.180 1.00 1.08 H new ATOM 0 HH11 ARG B 12 0.544 -2.623 12.839 1.00 1.86 H new ATOM 0 HH12 ARG B 12 0.544 -1.607 14.284 1.00 1.86 H new ATOM 0 HH21 ARG B 12 2.937 0.654 13.026 1.00 1.95 H new ATOM 0 HH22 ARG B 12 1.892 0.240 14.389 1.00 1.95 H new ATOM 1833 N CYS B 13 1.435 -3.256 7.975 1.00 0.42 N ATOM 1834 CA CYS B 13 0.653 -2.230 7.317 1.00 0.44 C ATOM 1835 C CYS B 13 0.008 -2.806 6.073 1.00 0.30 C ATOM 1836 O CYS B 13 -1.139 -2.503 5.744 1.00 0.29 O ATOM 1837 CB CYS B 13 1.564 -1.048 6.991 1.00 0.57 C ATOM 1838 SG CYS B 13 1.829 0.061 8.390 1.00 2.16 S ATOM 0 H CYS B 13 2.443 -3.106 7.927 1.00 0.42 H new ATOM 0 HA CYS B 13 -0.146 -1.876 7.969 1.00 0.44 H new ATOM 0 HB2 CYS B 13 2.528 -1.425 6.649 1.00 0.57 H new ATOM 0 HB3 CYS B 13 1.132 -0.482 6.166 1.00 0.57 H new ATOM 0 HG CYS B 13 2.934 -0.260 8.995 1.00 2.16 H new ATOM 1844 N ILE B 14 0.751 -3.676 5.421 1.00 0.26 N ATOM 1845 CA ILE B 14 0.264 -4.435 4.296 1.00 0.24 C ATOM 1846 C ILE B 14 -0.935 -5.298 4.697 1.00 0.21 C ATOM 1847 O ILE B 14 -1.945 -5.349 3.993 1.00 0.23 O ATOM 1848 CB ILE B 14 1.395 -5.328 3.743 1.00 0.24 C ATOM 1849 CG1 ILE B 14 2.292 -4.548 2.782 1.00 0.25 C ATOM 1850 CG2 ILE B 14 0.843 -6.574 3.076 1.00 0.27 C ATOM 1851 CD1 ILE B 14 3.560 -5.288 2.440 1.00 0.27 C ATOM 0 H ILE B 14 1.721 -3.876 5.663 1.00 0.26 H new ATOM 0 HA ILE B 14 -0.061 -3.739 3.523 1.00 0.24 H new ATOM 0 HB ILE B 14 2.003 -5.647 4.590 1.00 0.24 H new ATOM 0 HG12 ILE B 14 1.740 -4.338 1.866 1.00 0.25 H new ATOM 0 HG13 ILE B 14 2.546 -3.587 3.228 1.00 0.25 H new ATOM 0 HG21 ILE B 14 1.667 -7.180 2.698 1.00 0.27 H new ATOM 0 HG22 ILE B 14 0.271 -7.152 3.802 1.00 0.27 H new ATOM 0 HG23 ILE B 14 0.194 -6.287 2.248 1.00 0.27 H new ATOM 0 HD11 ILE B 14 4.158 -4.687 1.755 1.00 0.27 H new ATOM 0 HD12 ILE B 14 4.129 -5.475 3.351 1.00 0.27 H new ATOM 0 HD13 ILE B 14 3.311 -6.238 1.967 1.00 0.27 H new ATOM 1863 N GLU B 15 -0.826 -5.941 5.852 1.00 0.24 N ATOM 1864 CA GLU B 15 -1.853 -6.852 6.319 1.00 0.28 C ATOM 1865 C GLU B 15 -3.048 -6.077 6.790 1.00 0.30 C ATOM 1866 O GLU B 15 -4.163 -6.583 6.831 1.00 0.34 O ATOM 1867 CB GLU B 15 -1.354 -7.682 7.478 1.00 0.32 C ATOM 1868 CG GLU B 15 -0.092 -8.471 7.176 1.00 0.32 C ATOM 1869 CD GLU B 15 0.317 -9.357 8.331 1.00 0.38 C ATOM 1870 OE1 GLU B 15 0.254 -8.892 9.490 1.00 1.25 O ATOM 1871 OE2 GLU B 15 0.688 -10.525 8.093 1.00 1.06 O ATOM 0 H GLU B 15 -0.031 -5.845 6.483 1.00 0.24 H new ATOM 0 HA GLU B 15 -2.118 -7.504 5.487 1.00 0.28 H new ATOM 0 HB2 GLU B 15 -1.165 -7.025 8.327 1.00 0.32 H new ATOM 0 HB3 GLU B 15 -2.140 -8.375 7.780 1.00 0.32 H new ATOM 0 HG2 GLU B 15 -0.252 -9.084 6.289 1.00 0.32 H new ATOM 0 HG3 GLU B 15 0.719 -7.781 6.944 1.00 0.32 H new ATOM 1878 N SER B 16 -2.797 -4.849 7.173 1.00 0.31 N ATOM 1879 CA SER B 16 -3.848 -4.003 7.649 1.00 0.37 C ATOM 1880 C SER B 16 -4.687 -3.522 6.478 1.00 0.28 C ATOM 1881 O SER B 16 -5.895 -3.362 6.600 1.00 0.28 O ATOM 1882 CB SER B 16 -3.267 -2.849 8.444 1.00 0.54 C ATOM 1883 OG SER B 16 -2.494 -3.330 9.528 1.00 0.97 O ATOM 0 H SER B 16 -1.872 -4.419 7.162 1.00 0.31 H new ATOM 0 HA SER B 16 -4.500 -4.564 8.318 1.00 0.37 H new ATOM 0 HB2 SER B 16 -2.648 -2.229 7.796 1.00 0.54 H new ATOM 0 HB3 SER B 16 -4.072 -2.216 8.817 1.00 0.54 H new ATOM 0 HG SER B 16 -1.594 -3.558 9.213 1.00 0.97 H new ATOM 1889 N LEU B 17 -4.045 -3.329 5.331 1.00 0.27 N ATOM 1890 CA LEU B 17 -4.770 -3.062 4.098 1.00 0.28 C ATOM 1891 C LEU B 17 -5.607 -4.280 3.752 1.00 0.27 C ATOM 1892 O LEU B 17 -6.736 -4.161 3.296 1.00 0.32 O ATOM 1893 CB LEU B 17 -3.807 -2.759 2.956 1.00 0.29 C ATOM 1894 CG LEU B 17 -2.733 -1.730 3.288 1.00 0.33 C ATOM 1895 CD1 LEU B 17 -1.745 -1.587 2.142 1.00 0.33 C ATOM 1896 CD2 LEU B 17 -3.359 -0.384 3.627 1.00 0.46 C ATOM 0 H LEU B 17 -3.030 -3.353 5.231 1.00 0.27 H new ATOM 0 HA LEU B 17 -5.410 -2.191 4.242 1.00 0.28 H new ATOM 0 HB2 LEU B 17 -3.322 -3.686 2.652 1.00 0.29 H new ATOM 0 HB3 LEU B 17 -4.380 -2.403 2.100 1.00 0.29 H new ATOM 0 HG LEU B 17 -2.189 -2.084 4.164 1.00 0.33 H new ATOM 0 HD11 LEU B 17 -0.989 -0.847 2.404 1.00 0.33 H new ATOM 0 HD12 LEU B 17 -1.264 -2.547 1.955 1.00 0.33 H new ATOM 0 HD13 LEU B 17 -2.273 -1.264 1.245 1.00 0.33 H new ATOM 0 HD21 LEU B 17 -2.573 0.334 3.860 1.00 0.46 H new ATOM 0 HD22 LEU B 17 -3.936 -0.026 2.774 1.00 0.46 H new ATOM 0 HD23 LEU B 17 -4.017 -0.495 4.489 1.00 0.46 H new ATOM 1908 N ILE B 18 -5.031 -5.455 3.994 1.00 0.27 N ATOM 1909 CA ILE B 18 -5.740 -6.715 3.848 1.00 0.30 C ATOM 1910 C ILE B 18 -6.963 -6.729 4.751 1.00 0.28 C ATOM 1911 O ILE B 18 -8.050 -7.100 4.328 1.00 0.30 O ATOM 1912 CB ILE B 18 -4.827 -7.915 4.193 1.00 0.36 C ATOM 1913 CG1 ILE B 18 -3.703 -8.034 3.165 1.00 0.62 C ATOM 1914 CG2 ILE B 18 -5.631 -9.205 4.268 1.00 0.47 C ATOM 1915 CD1 ILE B 18 -2.768 -9.192 3.418 1.00 1.37 C ATOM 0 H ILE B 18 -4.062 -5.556 4.296 1.00 0.27 H new ATOM 0 HA ILE B 18 -6.050 -6.808 2.807 1.00 0.30 H new ATOM 0 HB ILE B 18 -4.384 -7.742 5.174 1.00 0.36 H new ATOM 0 HG12 ILE B 18 -4.141 -8.142 2.173 1.00 0.62 H new ATOM 0 HG13 ILE B 18 -3.127 -7.108 3.160 1.00 0.62 H new ATOM 0 HG21 ILE B 18 -4.967 -10.034 4.512 1.00 0.47 H new ATOM 0 HG22 ILE B 18 -6.395 -9.113 5.040 1.00 0.47 H new ATOM 0 HG23 ILE B 18 -6.108 -9.393 3.306 1.00 0.47 H new ATOM 0 HD11 ILE B 18 -1.997 -9.212 2.648 1.00 1.37 H new ATOM 0 HD12 ILE B 18 -2.301 -9.076 4.396 1.00 1.37 H new ATOM 0 HD13 ILE B 18 -3.330 -10.126 3.393 1.00 1.37 H new ATOM 1927 N ALA B 19 -6.770 -6.294 5.988 1.00 0.25 N ATOM 1928 CA ALA B 19 -7.835 -6.257 6.973 1.00 0.25 C ATOM 1929 C ALA B 19 -8.944 -5.294 6.564 1.00 0.23 C ATOM 1930 O ALA B 19 -10.106 -5.687 6.480 1.00 0.27 O ATOM 1931 CB ALA B 19 -7.271 -5.879 8.333 1.00 0.28 C ATOM 0 H ALA B 19 -5.871 -5.958 6.334 1.00 0.25 H new ATOM 0 HA ALA B 19 -8.275 -7.253 7.034 1.00 0.25 H new ATOM 0 HB1 ALA B 19 -8.077 -5.853 9.067 1.00 0.28 H new ATOM 0 HB2 ALA B 19 -6.527 -6.616 8.636 1.00 0.28 H new ATOM 0 HB3 ALA B 19 -6.804 -4.896 8.273 1.00 0.28 H new ATOM 1937 N VAL B 20 -8.582 -4.040 6.290 1.00 0.20 N ATOM 1938 CA VAL B 20 -9.566 -3.022 5.931 1.00 0.22 C ATOM 1939 C VAL B 20 -10.257 -3.393 4.628 1.00 0.23 C ATOM 1940 O VAL B 20 -11.469 -3.217 4.476 1.00 0.27 O ATOM 1941 CB VAL B 20 -8.935 -1.613 5.812 1.00 0.27 C ATOM 1942 CG1 VAL B 20 -8.013 -1.367 6.971 1.00 0.87 C ATOM 1943 CG2 VAL B 20 -8.182 -1.422 4.506 1.00 0.87 C ATOM 0 H VAL B 20 -7.618 -3.707 6.310 1.00 0.20 H new ATOM 0 HA VAL B 20 -10.300 -2.986 6.736 1.00 0.22 H new ATOM 0 HB VAL B 20 -9.752 -0.891 5.824 1.00 0.27 H new ATOM 0 HG11 VAL B 20 -7.572 -0.374 6.881 1.00 0.87 H new ATOM 0 HG12 VAL B 20 -8.575 -1.432 7.903 1.00 0.87 H new ATOM 0 HG13 VAL B 20 -7.221 -2.116 6.972 1.00 0.87 H new ATOM 0 HG21 VAL B 20 -7.759 -0.418 4.473 1.00 0.87 H new ATOM 0 HG22 VAL B 20 -7.379 -2.156 4.438 1.00 0.87 H new ATOM 0 HG23 VAL B 20 -8.867 -1.555 3.668 1.00 0.87 H new ATOM 1953 N PHE B 21 -9.480 -3.921 3.695 1.00 0.22 N ATOM 1954 CA PHE B 21 -10.041 -4.404 2.441 1.00 0.25 C ATOM 1955 C PHE B 21 -11.032 -5.528 2.705 1.00 0.29 C ATOM 1956 O PHE B 21 -12.141 -5.517 2.190 1.00 0.35 O ATOM 1957 CB PHE B 21 -8.941 -4.900 1.501 1.00 0.26 C ATOM 1958 CG PHE B 21 -9.457 -5.448 0.200 1.00 0.91 C ATOM 1959 CD1 PHE B 21 -9.762 -4.599 -0.847 1.00 1.59 C ATOM 1960 CD2 PHE B 21 -9.632 -6.810 0.025 1.00 1.85 C ATOM 1961 CE1 PHE B 21 -10.233 -5.095 -2.046 1.00 2.17 C ATOM 1962 CE2 PHE B 21 -10.103 -7.312 -1.171 1.00 2.48 C ATOM 1963 CZ PHE B 21 -10.403 -6.453 -2.208 1.00 2.40 C ATOM 0 H PHE B 21 -8.469 -4.026 3.780 1.00 0.22 H new ATOM 0 HA PHE B 21 -10.557 -3.571 1.963 1.00 0.25 H new ATOM 0 HB2 PHE B 21 -8.256 -4.078 1.292 1.00 0.26 H new ATOM 0 HB3 PHE B 21 -8.365 -5.674 2.008 1.00 0.26 H new ATOM 0 HD1 PHE B 21 -9.630 -3.534 -0.726 1.00 1.59 H new ATOM 0 HD2 PHE B 21 -9.397 -7.487 0.833 1.00 1.85 H new ATOM 0 HE1 PHE B 21 -10.468 -4.420 -2.856 1.00 2.17 H new ATOM 0 HE2 PHE B 21 -10.237 -8.376 -1.295 1.00 2.48 H new ATOM 0 HZ PHE B 21 -10.770 -6.844 -3.145 1.00 2.40 H new ATOM 1973 N GLN B 22 -10.636 -6.474 3.538 1.00 0.30 N ATOM 1974 CA GLN B 22 -11.416 -7.675 3.771 1.00 0.37 C ATOM 1975 C GLN B 22 -12.692 -7.401 4.553 1.00 0.36 C ATOM 1976 O GLN B 22 -13.642 -8.178 4.475 1.00 0.44 O ATOM 1977 CB GLN B 22 -10.565 -8.721 4.490 1.00 0.47 C ATOM 1978 CG GLN B 22 -9.929 -9.720 3.544 1.00 1.11 C ATOM 1979 CD GLN B 22 -9.059 -10.739 4.247 1.00 1.98 C ATOM 1980 OE1 GLN B 22 -8.436 -10.447 5.262 1.00 2.68 O ATOM 1981 NE2 GLN B 22 -9.023 -11.951 3.715 1.00 2.65 N ATOM 0 H GLN B 22 -9.767 -6.431 4.070 1.00 0.30 H new ATOM 0 HA GLN B 22 -11.719 -8.058 2.796 1.00 0.37 H new ATOM 0 HB2 GLN B 22 -9.782 -8.217 5.057 1.00 0.47 H new ATOM 0 HB3 GLN B 22 -11.186 -9.255 5.209 1.00 0.47 H new ATOM 0 HG2 GLN B 22 -10.714 -10.240 2.994 1.00 1.11 H new ATOM 0 HG3 GLN B 22 -9.328 -9.183 2.810 1.00 1.11 H new ATOM 0 HE21 GLN B 22 -9.556 -12.153 2.869 1.00 2.65 H new ATOM 0 HE22 GLN B 22 -8.462 -12.683 4.151 1.00 2.65 H new ATOM 1990 N LYS B 23 -12.736 -6.311 5.303 1.00 0.35 N ATOM 1991 CA LYS B 23 -13.920 -6.015 6.077 1.00 0.39 C ATOM 1992 C LYS B 23 -14.943 -5.224 5.262 1.00 0.41 C ATOM 1993 O LYS B 23 -16.142 -5.315 5.518 1.00 0.49 O ATOM 1994 CB LYS B 23 -13.555 -5.313 7.389 1.00 0.41 C ATOM 1995 CG LYS B 23 -12.605 -4.146 7.248 1.00 0.42 C ATOM 1996 CD LYS B 23 -13.271 -2.845 7.606 1.00 0.63 C ATOM 1997 CE LYS B 23 -12.379 -2.023 8.513 1.00 0.64 C ATOM 1998 NZ LYS B 23 -12.980 -0.708 8.863 1.00 0.91 N ATOM 0 H LYS B 23 -11.980 -5.632 5.389 1.00 0.35 H new ATOM 0 HA LYS B 23 -14.396 -6.960 6.337 1.00 0.39 H new ATOM 0 HB2 LYS B 23 -14.472 -4.960 7.862 1.00 0.41 H new ATOM 0 HB3 LYS B 23 -13.110 -6.045 8.063 1.00 0.41 H new ATOM 0 HG2 LYS B 23 -11.739 -4.301 7.891 1.00 0.42 H new ATOM 0 HG3 LYS B 23 -12.237 -4.097 6.223 1.00 0.42 H new ATOM 0 HD2 LYS B 23 -13.494 -2.283 6.699 1.00 0.63 H new ATOM 0 HD3 LYS B 23 -14.222 -3.041 8.102 1.00 0.63 H new ATOM 0 HE2 LYS B 23 -12.181 -2.583 9.427 1.00 0.64 H new ATOM 0 HE3 LYS B 23 -11.419 -1.861 8.023 1.00 0.64 H new ATOM 0 HZ1 LYS B 23 -12.248 -0.087 9.263 1.00 0.91 H new ATOM 0 HZ2 LYS B 23 -13.377 -0.269 8.008 1.00 0.91 H new ATOM 0 HZ3 LYS B 23 -13.736 -0.847 9.563 1.00 0.91 H new ATOM 2012 N TYR B 24 -14.488 -4.448 4.282 1.00 0.36 N ATOM 2013 CA TYR B 24 -15.417 -3.780 3.376 1.00 0.39 C ATOM 2014 C TYR B 24 -15.787 -4.668 2.192 1.00 0.34 C ATOM 2015 O TYR B 24 -16.956 -4.790 1.840 1.00 0.40 O ATOM 2016 CB TYR B 24 -14.856 -2.448 2.896 1.00 0.46 C ATOM 2017 CG TYR B 24 -14.856 -1.402 3.982 1.00 0.86 C ATOM 2018 CD1 TYR B 24 -16.025 -0.741 4.329 1.00 1.52 C ATOM 2019 CD2 TYR B 24 -13.700 -1.100 4.679 1.00 1.66 C ATOM 2020 CE1 TYR B 24 -16.039 0.199 5.338 1.00 1.83 C ATOM 2021 CE2 TYR B 24 -13.705 -0.166 5.692 1.00 1.99 C ATOM 2022 CZ TYR B 24 -14.875 0.480 6.018 1.00 1.71 C ATOM 2023 OH TYR B 24 -14.881 1.398 7.041 1.00 2.15 O ATOM 0 H TYR B 24 -13.501 -4.268 4.097 1.00 0.36 H new ATOM 0 HA TYR B 24 -16.329 -3.582 3.939 1.00 0.39 H new ATOM 0 HB2 TYR B 24 -13.838 -2.594 2.535 1.00 0.46 H new ATOM 0 HB3 TYR B 24 -15.445 -2.091 2.051 1.00 0.46 H new ATOM 0 HD1 TYR B 24 -16.939 -0.966 3.800 1.00 1.52 H new ATOM 0 HD2 TYR B 24 -12.779 -1.604 4.425 1.00 1.66 H new ATOM 0 HE1 TYR B 24 -16.955 0.711 5.593 1.00 1.83 H new ATOM 0 HE2 TYR B 24 -12.794 0.058 6.228 1.00 1.99 H new ATOM 0 HH TYR B 24 -14.909 2.304 6.668 1.00 2.15 H new ATOM 2033 N ALA B 25 -14.791 -5.295 1.588 1.00 0.29 N ATOM 2034 CA ALA B 25 -15.019 -6.173 0.449 1.00 0.34 C ATOM 2035 C ALA B 25 -15.737 -7.443 0.886 1.00 0.47 C ATOM 2036 O ALA B 25 -16.448 -8.071 0.101 1.00 0.58 O ATOM 2037 CB ALA B 25 -13.699 -6.506 -0.228 1.00 0.37 C ATOM 0 H ALA B 25 -13.813 -5.213 1.867 1.00 0.29 H new ATOM 0 HA ALA B 25 -15.656 -5.655 -0.269 1.00 0.34 H new ATOM 0 HB1 ALA B 25 -13.882 -7.163 -1.078 1.00 0.37 H new ATOM 0 HB2 ALA B 25 -13.226 -5.587 -0.575 1.00 0.37 H new ATOM 0 HB3 ALA B 25 -13.042 -7.007 0.483 1.00 0.37 H new ATOM 2043 N GLY B 26 -15.558 -7.807 2.151 1.00 0.50 N ATOM 2044 CA GLY B 26 -16.222 -8.977 2.694 1.00 0.64 C ATOM 2045 C GLY B 26 -17.725 -8.797 2.777 1.00 0.76 C ATOM 2046 O GLY B 26 -18.470 -9.771 2.877 1.00 0.96 O ATOM 0 H GLY B 26 -14.962 -7.310 2.813 1.00 0.50 H new ATOM 0 HA2 GLY B 26 -15.996 -9.843 2.071 1.00 0.64 H new ATOM 0 HA3 GLY B 26 -15.828 -9.187 3.688 1.00 0.64 H new ATOM 2147 N THR B 33 -12.991 -8.471 -3.924 1.00 0.66 N ATOM 2148 CA THR B 33 -13.319 -7.237 -4.621 1.00 0.45 C ATOM 2149 C THR B 33 -14.213 -6.342 -3.771 1.00 0.37 C ATOM 2150 O THR B 33 -15.211 -6.786 -3.201 1.00 0.44 O ATOM 2151 CB THR B 33 -14.007 -7.517 -5.972 1.00 0.45 C ATOM 2152 OG1 THR B 33 -14.255 -8.925 -6.118 1.00 0.66 O ATOM 2153 CG2 THR B 33 -13.159 -7.011 -7.134 1.00 0.43 C ATOM 0 HA THR B 33 -12.377 -6.721 -4.808 1.00 0.45 H new ATOM 0 HB THR B 33 -14.957 -6.983 -5.987 1.00 0.45 H new ATOM 0 HG1 THR B 33 -13.778 -9.416 -5.417 1.00 0.66 H new ATOM 0 HG21 THR B 33 -13.668 -7.222 -8.075 1.00 0.43 H new ATOM 0 HG22 THR B 33 -13.010 -5.936 -7.035 1.00 0.43 H new ATOM 0 HG23 THR B 33 -12.192 -7.514 -7.124 1.00 0.43 H new ATOM 2161 N LEU B 34 -13.831 -5.082 -3.693 1.00 0.32 N ATOM 2162 CA LEU B 34 -14.587 -4.063 -2.993 1.00 0.30 C ATOM 2163 C LEU B 34 -15.618 -3.491 -3.944 1.00 0.31 C ATOM 2164 O LEU B 34 -15.272 -2.832 -4.917 1.00 0.34 O ATOM 2165 CB LEU B 34 -13.612 -2.972 -2.524 1.00 0.29 C ATOM 2166 CG LEU B 34 -13.506 -2.762 -1.012 1.00 0.29 C ATOM 2167 CD1 LEU B 34 -12.208 -2.059 -0.660 1.00 0.45 C ATOM 2168 CD2 LEU B 34 -14.671 -1.943 -0.512 1.00 0.28 C ATOM 0 H LEU B 34 -12.973 -4.733 -4.121 1.00 0.32 H new ATOM 0 HA LEU B 34 -15.100 -4.477 -2.125 1.00 0.30 H new ATOM 0 HB2 LEU B 34 -12.620 -3.212 -2.906 1.00 0.29 H new ATOM 0 HB3 LEU B 34 -13.910 -2.028 -2.981 1.00 0.29 H new ATOM 0 HG LEU B 34 -13.522 -3.741 -0.533 1.00 0.29 H new ATOM 0 HD11 LEU B 34 -12.151 -1.919 0.419 1.00 0.45 H new ATOM 0 HD12 LEU B 34 -11.365 -2.664 -0.992 1.00 0.45 H new ATOM 0 HD13 LEU B 34 -12.174 -1.088 -1.154 1.00 0.45 H new ATOM 0 HD21 LEU B 34 -14.581 -1.802 0.565 1.00 0.28 H new ATOM 0 HD22 LEU B 34 -14.671 -0.971 -1.006 1.00 0.28 H new ATOM 0 HD23 LEU B 34 -15.603 -2.463 -0.734 1.00 0.28 H new ATOM 2180 N SER B 35 -16.880 -3.794 -3.686 1.00 0.31 N ATOM 2181 CA SER B 35 -17.957 -3.361 -4.558 1.00 0.33 C ATOM 2182 C SER B 35 -18.117 -1.846 -4.485 1.00 0.32 C ATOM 2183 O SER B 35 -17.614 -1.221 -3.549 1.00 0.30 O ATOM 2184 CB SER B 35 -19.257 -4.086 -4.191 1.00 0.37 C ATOM 2185 OG SER B 35 -20.313 -3.749 -5.071 1.00 0.40 O ATOM 0 H SER B 35 -17.183 -4.339 -2.879 1.00 0.31 H new ATOM 0 HA SER B 35 -17.712 -3.619 -5.588 1.00 0.33 H new ATOM 0 HB2 SER B 35 -19.092 -5.163 -4.217 1.00 0.37 H new ATOM 0 HB3 SER B 35 -19.540 -3.831 -3.170 1.00 0.37 H new ATOM 0 HG SER B 35 -21.125 -4.231 -4.808 1.00 0.40 H new ATOM 2191 N LYS B 36 -18.816 -1.269 -5.466 1.00 0.38 N ATOM 2192 CA LYS B 36 -18.900 0.184 -5.625 1.00 0.42 C ATOM 2193 C LYS B 36 -19.214 0.865 -4.305 1.00 0.36 C ATOM 2194 O LYS B 36 -18.395 1.600 -3.763 1.00 0.35 O ATOM 2195 CB LYS B 36 -19.970 0.550 -6.661 1.00 0.53 C ATOM 2196 CG LYS B 36 -20.158 2.052 -6.853 1.00 0.62 C ATOM 2197 CD LYS B 36 -18.966 2.686 -7.553 1.00 0.66 C ATOM 2198 CE LYS B 36 -19.095 4.204 -7.633 1.00 0.61 C ATOM 2199 NZ LYS B 36 -20.291 4.633 -8.405 1.00 0.65 N ATOM 0 H LYS B 36 -19.337 -1.793 -6.169 1.00 0.38 H new ATOM 0 HA LYS B 36 -17.928 0.534 -5.972 1.00 0.42 H new ATOM 0 HB2 LYS B 36 -19.703 0.102 -7.618 1.00 0.53 H new ATOM 0 HB3 LYS B 36 -20.920 0.111 -6.358 1.00 0.53 H new ATOM 0 HG2 LYS B 36 -21.061 2.234 -7.436 1.00 0.62 H new ATOM 0 HG3 LYS B 36 -20.304 2.527 -5.883 1.00 0.62 H new ATOM 0 HD2 LYS B 36 -18.052 2.427 -7.019 1.00 0.66 H new ATOM 0 HD3 LYS B 36 -18.875 2.276 -8.559 1.00 0.66 H new ATOM 0 HE2 LYS B 36 -19.151 4.614 -6.625 1.00 0.61 H new ATOM 0 HE3 LYS B 36 -18.199 4.618 -8.097 1.00 0.61 H new ATOM 0 HZ1 LYS B 36 -20.093 5.539 -8.877 1.00 0.65 H new ATOM 0 HZ2 LYS B 36 -20.519 3.913 -9.120 1.00 0.65 H new ATOM 0 HZ3 LYS B 36 -21.098 4.748 -7.759 1.00 0.65 H new ATOM 2213 N THR B 37 -20.376 0.569 -3.768 1.00 0.37 N ATOM 2214 CA THR B 37 -20.829 1.190 -2.544 1.00 0.38 C ATOM 2215 C THR B 37 -19.929 0.830 -1.362 1.00 0.36 C ATOM 2216 O THR B 37 -19.792 1.603 -0.407 1.00 0.38 O ATOM 2217 CB THR B 37 -22.262 0.753 -2.234 1.00 0.44 C ATOM 2218 OG1 THR B 37 -23.120 1.083 -3.337 1.00 0.47 O ATOM 2219 CG2 THR B 37 -22.770 1.429 -0.972 1.00 0.49 C ATOM 0 H THR B 37 -21.031 -0.105 -4.165 1.00 0.37 H new ATOM 0 HA THR B 37 -20.790 2.269 -2.690 1.00 0.38 H new ATOM 0 HB THR B 37 -22.267 -0.326 -2.077 1.00 0.44 H new ATOM 0 HG1 THR B 37 -24.036 0.800 -3.135 1.00 0.47 H new ATOM 0 HG21 THR B 37 -23.791 1.104 -0.771 1.00 0.49 H new ATOM 0 HG22 THR B 37 -22.131 1.159 -0.132 1.00 0.49 H new ATOM 0 HG23 THR B 37 -22.754 2.511 -1.107 1.00 0.49 H new ATOM 2227 N GLU B 38 -19.295 -0.329 -1.438 1.00 0.34 N ATOM 2228 CA GLU B 38 -18.469 -0.806 -0.345 1.00 0.33 C ATOM 2229 C GLU B 38 -17.223 0.060 -0.204 1.00 0.33 C ATOM 2230 O GLU B 38 -16.827 0.395 0.913 1.00 0.48 O ATOM 2231 CB GLU B 38 -18.110 -2.276 -0.534 1.00 0.34 C ATOM 2232 CG GLU B 38 -19.329 -3.173 -0.700 1.00 0.47 C ATOM 2233 CD GLU B 38 -20.386 -2.963 0.369 1.00 1.27 C ATOM 2234 OE1 GLU B 38 -20.043 -2.536 1.488 1.00 1.96 O ATOM 2235 OE2 GLU B 38 -21.577 -3.209 0.081 1.00 2.16 O ATOM 0 H GLU B 38 -19.337 -0.954 -2.243 1.00 0.34 H new ATOM 0 HA GLU B 38 -19.039 -0.727 0.581 1.00 0.33 H new ATOM 0 HB2 GLU B 38 -17.470 -2.378 -1.410 1.00 0.34 H new ATOM 0 HB3 GLU B 38 -17.531 -2.616 0.325 1.00 0.34 H new ATOM 0 HG2 GLU B 38 -19.773 -2.992 -1.679 1.00 0.47 H new ATOM 0 HG3 GLU B 38 -19.009 -4.215 -0.683 1.00 0.47 H new ATOM 2242 N PHE B 39 -16.612 0.456 -1.325 1.00 0.29 N ATOM 2243 CA PHE B 39 -15.469 1.357 -1.232 1.00 0.31 C ATOM 2244 C PHE B 39 -15.925 2.785 -1.085 1.00 0.28 C ATOM 2245 O PHE B 39 -15.188 3.618 -0.586 1.00 0.27 O ATOM 2246 CB PHE B 39 -14.456 1.245 -2.379 1.00 0.53 C ATOM 2247 CG PHE B 39 -14.989 1.292 -3.779 1.00 0.81 C ATOM 2248 CD1 PHE B 39 -15.289 2.500 -4.385 1.00 1.76 C ATOM 2249 CD2 PHE B 39 -15.137 0.130 -4.507 1.00 1.78 C ATOM 2250 CE1 PHE B 39 -15.740 2.538 -5.688 1.00 2.61 C ATOM 2251 CE2 PHE B 39 -15.580 0.162 -5.810 1.00 2.66 C ATOM 2252 CZ PHE B 39 -15.884 1.365 -6.400 1.00 2.87 C ATOM 0 H PHE B 39 -16.878 0.178 -2.270 1.00 0.29 H new ATOM 0 HA PHE B 39 -14.935 1.035 -0.338 1.00 0.31 H new ATOM 0 HB2 PHE B 39 -13.731 2.051 -2.268 1.00 0.53 H new ATOM 0 HB3 PHE B 39 -13.912 0.308 -2.257 1.00 0.53 H new ATOM 0 HD1 PHE B 39 -15.169 3.420 -3.833 1.00 1.76 H new ATOM 0 HD2 PHE B 39 -14.902 -0.819 -4.048 1.00 1.78 H new ATOM 0 HE1 PHE B 39 -15.980 3.484 -6.150 1.00 2.61 H new ATOM 0 HE2 PHE B 39 -15.688 -0.757 -6.367 1.00 2.66 H new ATOM 0 HZ PHE B 39 -16.236 1.392 -7.421 1.00 2.87 H new ATOM 2262 N LEU B 40 -17.137 3.066 -1.514 1.00 0.33 N ATOM 2263 CA LEU B 40 -17.739 4.357 -1.242 1.00 0.37 C ATOM 2264 C LEU B 40 -17.813 4.561 0.264 1.00 0.40 C ATOM 2265 O LEU B 40 -17.480 5.625 0.786 1.00 0.43 O ATOM 2266 CB LEU B 40 -19.138 4.421 -1.846 1.00 0.43 C ATOM 2267 CG LEU B 40 -19.244 5.001 -3.264 1.00 0.50 C ATOM 2268 CD1 LEU B 40 -19.205 6.518 -3.239 1.00 1.07 C ATOM 2269 CD2 LEU B 40 -18.130 4.482 -4.150 1.00 0.46 C ATOM 0 H LEU B 40 -17.722 2.424 -2.049 1.00 0.33 H new ATOM 0 HA LEU B 40 -17.132 5.144 -1.690 1.00 0.37 H new ATOM 0 HB2 LEU B 40 -19.551 3.413 -1.858 1.00 0.43 H new ATOM 0 HB3 LEU B 40 -19.768 5.016 -1.185 1.00 0.43 H new ATOM 0 HG LEU B 40 -20.201 4.679 -3.674 1.00 0.50 H new ATOM 0 HD11 LEU B 40 -19.282 6.901 -4.257 1.00 1.07 H new ATOM 0 HD12 LEU B 40 -20.039 6.894 -2.646 1.00 1.07 H new ATOM 0 HD13 LEU B 40 -18.266 6.851 -2.796 1.00 1.07 H new ATOM 0 HD21 LEU B 40 -18.230 4.909 -5.148 1.00 0.46 H new ATOM 0 HD22 LEU B 40 -17.166 4.767 -3.728 1.00 0.46 H new ATOM 0 HD23 LEU B 40 -18.191 3.396 -4.213 1.00 0.46 H new ATOM 2281 N SER B 41 -18.246 3.509 0.948 1.00 0.42 N ATOM 2282 CA SER B 41 -18.257 3.487 2.399 1.00 0.52 C ATOM 2283 C SER B 41 -16.832 3.609 2.928 1.00 0.45 C ATOM 2284 O SER B 41 -16.524 4.535 3.666 1.00 0.47 O ATOM 2285 CB SER B 41 -18.896 2.191 2.898 1.00 0.67 C ATOM 2286 OG SER B 41 -20.171 1.989 2.306 1.00 1.40 O ATOM 0 H SER B 41 -18.596 2.655 0.513 1.00 0.42 H new ATOM 0 HA SER B 41 -18.844 4.330 2.765 1.00 0.52 H new ATOM 0 HB2 SER B 41 -18.246 1.348 2.665 1.00 0.67 H new ATOM 0 HB3 SER B 41 -18.997 2.226 3.983 1.00 0.67 H new ATOM 0 HG SER B 41 -20.060 1.772 1.357 1.00 1.40 H new ATOM 2292 N PHE B 42 -15.971 2.677 2.503 1.00 0.42 N ATOM 2293 CA PHE B 42 -14.549 2.669 2.870 1.00 0.46 C ATOM 2294 C PHE B 42 -13.925 4.044 2.722 1.00 0.29 C ATOM 2295 O PHE B 42 -13.357 4.586 3.656 1.00 0.42 O ATOM 2296 CB PHE B 42 -13.792 1.698 1.962 1.00 0.80 C ATOM 2297 CG PHE B 42 -12.301 1.723 2.156 1.00 1.89 C ATOM 2298 CD1 PHE B 42 -11.718 1.102 3.244 1.00 2.77 C ATOM 2299 CD2 PHE B 42 -11.485 2.377 1.248 1.00 2.69 C ATOM 2300 CE1 PHE B 42 -10.351 1.131 3.426 1.00 3.80 C ATOM 2301 CE2 PHE B 42 -10.118 2.410 1.424 1.00 3.73 C ATOM 2302 CZ PHE B 42 -9.549 1.788 2.516 1.00 4.13 C ATOM 0 H PHE B 42 -16.241 1.905 1.893 1.00 0.42 H new ATOM 0 HA PHE B 42 -14.480 2.362 3.914 1.00 0.46 H new ATOM 0 HB2 PHE B 42 -14.156 0.687 2.144 1.00 0.80 H new ATOM 0 HB3 PHE B 42 -14.018 1.936 0.923 1.00 0.80 H new ATOM 0 HD1 PHE B 42 -12.341 0.587 3.961 1.00 2.77 H new ATOM 0 HD2 PHE B 42 -11.925 2.867 0.392 1.00 2.69 H new ATOM 0 HE1 PHE B 42 -9.909 0.640 4.280 1.00 3.80 H new ATOM 0 HE2 PHE B 42 -9.493 2.922 0.708 1.00 3.73 H new ATOM 0 HZ PHE B 42 -8.479 1.815 2.658 1.00 4.13 H new ATOM 2312 N MET B 43 -14.022 4.589 1.537 1.00 0.26 N ATOM 2313 CA MET B 43 -13.414 5.872 1.237 1.00 0.29 C ATOM 2314 C MET B 43 -13.992 7.001 2.086 1.00 0.29 C ATOM 2315 O MET B 43 -13.320 7.988 2.338 1.00 0.37 O ATOM 2316 CB MET B 43 -13.588 6.198 -0.233 1.00 0.38 C ATOM 2317 CG MET B 43 -12.740 5.336 -1.158 1.00 0.62 C ATOM 2318 SD MET B 43 -13.123 5.588 -2.904 1.00 1.22 S ATOM 2319 CE MET B 43 -12.006 4.417 -3.670 1.00 2.25 C ATOM 0 H MET B 43 -14.519 4.165 0.754 1.00 0.26 H new ATOM 0 HA MET B 43 -12.354 5.790 1.477 1.00 0.29 H new ATOM 0 HB2 MET B 43 -14.638 6.078 -0.500 1.00 0.38 H new ATOM 0 HB3 MET B 43 -13.336 7.246 -0.396 1.00 0.38 H new ATOM 0 HG2 MET B 43 -11.686 5.557 -0.987 1.00 0.62 H new ATOM 0 HG3 MET B 43 -12.890 4.286 -0.906 1.00 0.62 H new ATOM 0 HE1 MET B 43 -12.381 4.149 -4.658 1.00 2.25 H new ATOM 0 HE2 MET B 43 -11.018 4.866 -3.766 1.00 2.25 H new ATOM 0 HE3 MET B 43 -11.939 3.521 -3.053 1.00 2.25 H new ATOM 2329 N ASN B 44 -15.227 6.872 2.529 1.00 0.29 N ATOM 2330 CA ASN B 44 -15.837 7.926 3.333 1.00 0.33 C ATOM 2331 C ASN B 44 -15.678 7.653 4.827 1.00 0.32 C ATOM 2332 O ASN B 44 -15.921 8.525 5.658 1.00 0.39 O ATOM 2333 CB ASN B 44 -17.304 8.086 2.952 1.00 0.42 C ATOM 2334 CG ASN B 44 -18.044 9.109 3.796 1.00 1.05 C ATOM 2335 OD1 ASN B 44 -17.989 10.307 3.528 1.00 1.53 O ATOM 2336 ND2 ASN B 44 -18.768 8.642 4.799 1.00 1.83 N ATOM 0 H ASN B 44 -15.824 6.064 2.353 1.00 0.29 H new ATOM 0 HA ASN B 44 -15.319 8.862 3.124 1.00 0.33 H new ATOM 0 HB2 ASN B 44 -17.369 8.377 1.904 1.00 0.42 H new ATOM 0 HB3 ASN B 44 -17.802 7.121 3.046 1.00 0.42 H new ATOM 0 HD21 ASN B 44 -19.306 9.283 5.381 1.00 1.83 H new ATOM 0 HD22 ASN B 44 -18.788 7.640 4.990 1.00 1.83 H new ATOM 2343 N THR B 45 -15.254 6.452 5.170 1.00 0.27 N ATOM 2344 CA THR B 45 -15.026 6.103 6.567 1.00 0.29 C ATOM 2345 C THR B 45 -13.545 6.089 6.880 1.00 0.28 C ATOM 2346 O THR B 45 -13.046 6.860 7.702 1.00 0.34 O ATOM 2347 CB THR B 45 -15.603 4.717 6.905 1.00 0.30 C ATOM 2348 OG1 THR B 45 -15.178 3.763 5.927 1.00 0.34 O ATOM 2349 CG2 THR B 45 -17.118 4.753 6.956 1.00 0.34 C ATOM 0 H THR B 45 -15.060 5.702 4.507 1.00 0.27 H new ATOM 0 HA THR B 45 -15.531 6.860 7.167 1.00 0.29 H new ATOM 0 HB THR B 45 -15.233 4.426 7.888 1.00 0.30 H new ATOM 0 HG1 THR B 45 -15.660 3.917 5.088 1.00 0.34 H new ATOM 0 HG21 THR B 45 -17.498 3.760 7.197 1.00 0.34 H new ATOM 0 HG22 THR B 45 -17.440 5.460 7.721 1.00 0.34 H new ATOM 0 HG23 THR B 45 -17.507 5.065 5.987 1.00 0.34 H new ATOM 2357 N GLU B 46 -12.854 5.209 6.190 1.00 0.23 N ATOM 2358 CA GLU B 46 -11.441 5.013 6.370 1.00 0.25 C ATOM 2359 C GLU B 46 -10.650 6.120 5.680 1.00 0.25 C ATOM 2360 O GLU B 46 -9.498 6.358 6.006 1.00 0.34 O ATOM 2361 CB GLU B 46 -11.028 3.650 5.813 1.00 0.29 C ATOM 2362 CG GLU B 46 -11.633 2.463 6.550 1.00 0.57 C ATOM 2363 CD GLU B 46 -11.140 2.334 7.978 1.00 1.17 C ATOM 2364 OE1 GLU B 46 -9.971 1.938 8.174 1.00 1.70 O ATOM 2365 OE2 GLU B 46 -11.926 2.596 8.914 1.00 1.68 O ATOM 0 H GLU B 46 -13.267 4.604 5.480 1.00 0.23 H new ATOM 0 HA GLU B 46 -11.221 5.046 7.437 1.00 0.25 H new ATOM 0 HB2 GLU B 46 -11.317 3.597 4.763 1.00 0.29 H new ATOM 0 HB3 GLU B 46 -9.942 3.570 5.849 1.00 0.29 H new ATOM 0 HG2 GLU B 46 -12.719 2.561 6.554 1.00 0.57 H new ATOM 0 HG3 GLU B 46 -11.398 1.548 6.007 1.00 0.57 H new ATOM 2372 N LEU B 47 -11.266 6.805 4.726 1.00 0.25 N ATOM 2373 CA LEU B 47 -10.559 7.850 3.992 1.00 0.26 C ATOM 2374 C LEU B 47 -11.335 9.147 3.976 1.00 0.28 C ATOM 2375 O LEU B 47 -11.159 9.968 3.077 1.00 0.30 O ATOM 2376 CB LEU B 47 -10.287 7.416 2.563 1.00 0.26 C ATOM 2377 CG LEU B 47 -9.484 6.134 2.423 1.00 0.27 C ATOM 2378 CD1 LEU B 47 -9.426 5.720 0.967 1.00 0.32 C ATOM 2379 CD2 LEU B 47 -8.086 6.328 2.995 1.00 0.28 C ATOM 0 H LEU B 47 -12.236 6.661 4.444 1.00 0.25 H new ATOM 0 HA LEU B 47 -9.614 8.016 4.510 1.00 0.26 H new ATOM 0 HB2 LEU B 47 -11.240 7.288 2.051 1.00 0.26 H new ATOM 0 HB3 LEU B 47 -9.755 8.218 2.051 1.00 0.26 H new ATOM 0 HG LEU B 47 -9.972 5.338 2.986 1.00 0.27 H new ATOM 0 HD11 LEU B 47 -8.849 4.800 0.873 1.00 0.32 H new ATOM 0 HD12 LEU B 47 -10.437 5.554 0.596 1.00 0.32 H new ATOM 0 HD13 LEU B 47 -8.950 6.508 0.383 1.00 0.32 H new ATOM 0 HD21 LEU B 47 -7.518 5.403 2.890 1.00 0.28 H new ATOM 0 HD22 LEU B 47 -7.580 7.128 2.455 1.00 0.28 H new ATOM 0 HD23 LEU B 47 -8.158 6.592 4.050 1.00 0.28 H new ATOM 2391 N ALA B 48 -12.208 9.320 4.952 1.00 0.32 N ATOM 2392 CA ALA B 48 -12.936 10.566 5.105 1.00 0.37 C ATOM 2393 C ALA B 48 -11.988 11.763 5.117 1.00 0.39 C ATOM 2394 O ALA B 48 -12.345 12.845 4.659 1.00 0.44 O ATOM 2395 CB ALA B 48 -13.770 10.519 6.368 1.00 0.41 C ATOM 0 H ALA B 48 -12.430 8.612 5.652 1.00 0.32 H new ATOM 0 HA ALA B 48 -13.600 10.689 4.249 1.00 0.37 H new ATOM 0 HB1 ALA B 48 -14.315 11.456 6.479 1.00 0.41 H new ATOM 0 HB2 ALA B 48 -14.478 9.693 6.306 1.00 0.41 H new ATOM 0 HB3 ALA B 48 -13.118 10.374 7.229 1.00 0.41 H new ATOM 2401 N ALA B 49 -10.777 11.552 5.623 1.00 0.38 N ATOM 2402 CA ALA B 49 -9.731 12.569 5.582 1.00 0.41 C ATOM 2403 C ALA B 49 -9.547 13.099 4.166 1.00 0.41 C ATOM 2404 O ALA B 49 -9.518 14.306 3.933 1.00 0.47 O ATOM 2405 CB ALA B 49 -8.425 11.985 6.086 1.00 0.44 C ATOM 0 H ALA B 49 -10.494 10.680 6.069 1.00 0.38 H new ATOM 0 HA ALA B 49 -10.030 13.397 6.224 1.00 0.41 H new ATOM 0 HB1 ALA B 49 -7.648 12.749 6.053 1.00 0.44 H new ATOM 0 HB2 ALA B 49 -8.552 11.641 7.112 1.00 0.44 H new ATOM 0 HB3 ALA B 49 -8.135 11.145 5.455 1.00 0.44 H new ATOM 2411 N PHE B 50 -9.447 12.179 3.225 1.00 0.36 N ATOM 2412 CA PHE B 50 -9.263 12.518 1.826 1.00 0.37 C ATOM 2413 C PHE B 50 -10.583 12.940 1.196 1.00 0.38 C ATOM 2414 O PHE B 50 -10.693 14.016 0.608 1.00 0.44 O ATOM 2415 CB PHE B 50 -8.711 11.303 1.085 1.00 0.35 C ATOM 2416 CG PHE B 50 -8.436 11.547 -0.374 1.00 0.70 C ATOM 2417 CD1 PHE B 50 -7.291 12.216 -0.776 1.00 1.63 C ATOM 2418 CD2 PHE B 50 -9.325 11.106 -1.343 1.00 1.33 C ATOM 2419 CE1 PHE B 50 -7.038 12.442 -2.117 1.00 2.10 C ATOM 2420 CE2 PHE B 50 -9.077 11.328 -2.684 1.00 1.67 C ATOM 2421 CZ PHE B 50 -7.932 11.996 -3.072 1.00 1.80 C ATOM 0 H PHE B 50 -9.491 11.177 3.408 1.00 0.36 H new ATOM 0 HA PHE B 50 -8.563 13.351 1.754 1.00 0.37 H new ATOM 0 HB2 PHE B 50 -7.788 10.984 1.569 1.00 0.35 H new ATOM 0 HB3 PHE B 50 -9.421 10.481 1.178 1.00 0.35 H new ATOM 0 HD1 PHE B 50 -6.588 12.565 -0.034 1.00 1.63 H new ATOM 0 HD2 PHE B 50 -10.222 10.583 -1.046 1.00 1.33 H new ATOM 0 HE1 PHE B 50 -6.143 12.966 -2.417 1.00 2.10 H new ATOM 0 HE2 PHE B 50 -9.778 10.980 -3.428 1.00 1.67 H new ATOM 0 HZ PHE B 50 -7.736 12.169 -4.120 1.00 1.80 H new ATOM 2431 N THR B 51 -11.578 12.080 1.351 1.00 0.36 N ATOM 2432 CA THR B 51 -12.861 12.226 0.690 1.00 0.40 C ATOM 2433 C THR B 51 -13.589 13.508 1.087 1.00 0.45 C ATOM 2434 O THR B 51 -14.048 14.260 0.224 1.00 0.53 O ATOM 2435 CB THR B 51 -13.741 11.006 1.005 1.00 0.39 C ATOM 2436 OG1 THR B 51 -13.109 9.827 0.501 1.00 0.39 O ATOM 2437 CG2 THR B 51 -15.129 11.146 0.401 1.00 0.49 C ATOM 0 H THR B 51 -11.514 11.254 1.946 1.00 0.36 H new ATOM 0 HA THR B 51 -12.669 12.290 -0.381 1.00 0.40 H new ATOM 0 HB THR B 51 -13.856 10.937 2.087 1.00 0.39 H new ATOM 0 HG1 THR B 51 -13.168 9.113 1.169 1.00 0.39 H new ATOM 0 HG21 THR B 51 -15.722 10.265 0.645 1.00 0.49 H new ATOM 0 HG22 THR B 51 -15.614 12.034 0.806 1.00 0.49 H new ATOM 0 HG23 THR B 51 -15.047 11.240 -0.682 1.00 0.49 H new ATOM 2445 N LYS B 52 -13.677 13.771 2.384 1.00 0.47 N ATOM 2446 CA LYS B 52 -14.445 14.913 2.865 1.00 0.60 C ATOM 2447 C LYS B 52 -13.715 16.212 2.557 1.00 0.69 C ATOM 2448 O LYS B 52 -14.336 17.249 2.325 1.00 0.84 O ATOM 2449 CB LYS B 52 -14.706 14.808 4.371 1.00 0.70 C ATOM 2450 CG LYS B 52 -15.349 13.496 4.817 1.00 0.78 C ATOM 2451 CD LYS B 52 -16.858 13.460 4.600 1.00 1.07 C ATOM 2452 CE LYS B 52 -17.232 13.287 3.137 1.00 1.24 C ATOM 2453 NZ LYS B 52 -18.671 12.958 2.972 1.00 1.82 N ATOM 0 H LYS B 52 -13.232 13.217 3.115 1.00 0.47 H new ATOM 0 HA LYS B 52 -15.405 14.911 2.348 1.00 0.60 H new ATOM 0 HB2 LYS B 52 -13.761 14.932 4.899 1.00 0.70 H new ATOM 0 HB3 LYS B 52 -15.350 15.634 4.673 1.00 0.70 H new ATOM 0 HG2 LYS B 52 -14.891 12.671 4.272 1.00 0.78 H new ATOM 0 HG3 LYS B 52 -15.137 13.336 5.874 1.00 0.78 H new ATOM 0 HD2 LYS B 52 -17.286 12.642 5.180 1.00 1.07 H new ATOM 0 HD3 LYS B 52 -17.298 14.383 4.977 1.00 1.07 H new ATOM 0 HE2 LYS B 52 -17.004 14.203 2.592 1.00 1.24 H new ATOM 0 HE3 LYS B 52 -16.625 12.495 2.698 1.00 1.24 H new ATOM 0 HZ1 LYS B 52 -18.976 13.208 2.010 1.00 1.82 H new ATOM 0 HZ2 LYS B 52 -18.814 11.940 3.127 1.00 1.82 H new ATOM 0 HZ3 LYS B 52 -19.232 13.496 3.664 1.00 1.82 H new ATOM 2546 N GLY B 58 -18.461 12.255 -5.352 1.00 0.67 N ATOM 2547 CA GLY B 58 -18.240 12.060 -6.770 1.00 0.56 C ATOM 2548 C GLY B 58 -16.796 11.741 -7.097 1.00 0.49 C ATOM 2549 O GLY B 58 -16.510 11.099 -8.105 1.00 0.48 O ATOM 0 HA2 GLY B 58 -18.876 11.249 -7.125 1.00 0.56 H new ATOM 0 HA3 GLY B 58 -18.540 12.959 -7.308 1.00 0.56 H new ATOM 2553 N VAL B 59 -15.880 12.179 -6.241 1.00 0.52 N ATOM 2554 CA VAL B 59 -14.466 11.890 -6.441 1.00 0.52 C ATOM 2555 C VAL B 59 -14.210 10.402 -6.373 1.00 0.49 C ATOM 2556 O VAL B 59 -13.418 9.868 -7.141 1.00 0.49 O ATOM 2557 CB VAL B 59 -13.564 12.596 -5.405 1.00 0.61 C ATOM 2558 CG1 VAL B 59 -13.980 12.243 -3.985 1.00 0.65 C ATOM 2559 CG2 VAL B 59 -12.106 12.223 -5.634 1.00 0.66 C ATOM 0 H VAL B 59 -16.089 12.731 -5.409 1.00 0.52 H new ATOM 0 HA VAL B 59 -14.214 12.272 -7.430 1.00 0.52 H new ATOM 0 HB VAL B 59 -13.680 13.672 -5.534 1.00 0.61 H new ATOM 0 HG11 VAL B 59 -13.328 12.754 -3.277 1.00 0.65 H new ATOM 0 HG12 VAL B 59 -15.011 12.556 -3.820 1.00 0.65 H new ATOM 0 HG13 VAL B 59 -13.900 11.166 -3.840 1.00 0.65 H new ATOM 0 HG21 VAL B 59 -11.481 12.728 -4.897 1.00 0.66 H new ATOM 0 HG22 VAL B 59 -11.986 11.144 -5.534 1.00 0.66 H new ATOM 0 HG23 VAL B 59 -11.805 12.530 -6.636 1.00 0.66 H new ATOM 2569 N LEU B 60 -14.912 9.735 -5.480 1.00 0.48 N ATOM 2570 CA LEU B 60 -14.732 8.310 -5.285 1.00 0.46 C ATOM 2571 C LEU B 60 -15.175 7.560 -6.525 1.00 0.43 C ATOM 2572 O LEU B 60 -14.801 6.412 -6.747 1.00 0.41 O ATOM 2573 CB LEU B 60 -15.523 7.832 -4.076 1.00 0.48 C ATOM 2574 CG LEU B 60 -15.386 8.714 -2.835 1.00 0.52 C ATOM 2575 CD1 LEU B 60 -16.177 8.136 -1.675 1.00 0.51 C ATOM 2576 CD2 LEU B 60 -13.922 8.886 -2.466 1.00 0.52 C ATOM 0 H LEU B 60 -15.616 10.159 -4.875 1.00 0.48 H new ATOM 0 HA LEU B 60 -13.675 8.113 -5.106 1.00 0.46 H new ATOM 0 HB2 LEU B 60 -16.577 7.772 -4.348 1.00 0.48 H new ATOM 0 HB3 LEU B 60 -15.201 6.821 -3.824 1.00 0.48 H new ATOM 0 HG LEU B 60 -15.797 9.698 -3.062 1.00 0.52 H new ATOM 0 HD11 LEU B 60 -16.066 8.779 -0.802 1.00 0.51 H new ATOM 0 HD12 LEU B 60 -17.230 8.074 -1.948 1.00 0.51 H new ATOM 0 HD13 LEU B 60 -15.804 7.139 -1.441 1.00 0.51 H new ATOM 0 HD21 LEU B 60 -13.842 9.516 -1.580 1.00 0.52 H new ATOM 0 HD22 LEU B 60 -13.482 7.911 -2.258 1.00 0.52 H new ATOM 0 HD23 LEU B 60 -13.391 9.355 -3.294 1.00 0.52 H new ATOM 2588 N ASP B 61 -15.966 8.239 -7.338 1.00 0.46 N ATOM 2589 CA ASP B 61 -16.427 7.682 -8.601 1.00 0.46 C ATOM 2590 C ASP B 61 -15.332 7.815 -9.639 1.00 0.47 C ATOM 2591 O ASP B 61 -15.173 6.973 -10.521 1.00 0.51 O ATOM 2592 CB ASP B 61 -17.696 8.398 -9.070 1.00 0.47 C ATOM 2593 CG ASP B 61 -18.467 7.606 -10.108 1.00 0.48 C ATOM 2594 OD1 ASP B 61 -18.175 7.744 -11.315 1.00 1.22 O ATOM 2595 OD2 ASP B 61 -19.381 6.846 -9.716 1.00 1.19 O ATOM 0 H ASP B 61 -16.305 9.182 -7.146 1.00 0.46 H new ATOM 0 HA ASP B 61 -16.664 6.627 -8.462 1.00 0.46 H new ATOM 0 HB2 ASP B 61 -18.340 8.586 -8.211 1.00 0.47 H new ATOM 0 HB3 ASP B 61 -17.427 9.369 -9.486 1.00 0.47 H new ATOM 2600 N ARG B 62 -14.556 8.872 -9.495 1.00 0.47 N ATOM 2601 CA ARG B 62 -13.413 9.110 -10.354 1.00 0.51 C ATOM 2602 C ARG B 62 -12.281 8.172 -9.955 1.00 0.50 C ATOM 2603 O ARG B 62 -11.524 7.690 -10.799 1.00 0.56 O ATOM 2604 CB ARG B 62 -12.972 10.567 -10.236 1.00 0.55 C ATOM 2605 CG ARG B 62 -14.130 11.548 -10.311 1.00 0.55 C ATOM 2606 CD ARG B 62 -13.655 12.984 -10.220 1.00 0.62 C ATOM 2607 NE ARG B 62 -12.697 13.317 -11.272 1.00 1.45 N ATOM 2608 CZ ARG B 62 -12.077 14.490 -11.374 1.00 1.97 C ATOM 2609 NH1 ARG B 62 -12.304 15.450 -10.485 1.00 1.66 N ATOM 2610 NH2 ARG B 62 -11.220 14.700 -12.364 1.00 3.02 N ATOM 0 H ARG B 62 -14.700 9.587 -8.782 1.00 0.47 H new ATOM 0 HA ARG B 62 -13.684 8.916 -11.392 1.00 0.51 H new ATOM 0 HB2 ARG B 62 -12.446 10.706 -9.291 1.00 0.55 H new ATOM 0 HB3 ARG B 62 -12.262 10.791 -11.032 1.00 0.55 H new ATOM 0 HG2 ARG B 62 -14.670 11.402 -11.246 1.00 0.55 H new ATOM 0 HG3 ARG B 62 -14.832 11.345 -9.502 1.00 0.55 H new ATOM 0 HD2 ARG B 62 -14.513 13.653 -10.287 1.00 0.62 H new ATOM 0 HD3 ARG B 62 -13.195 13.152 -9.246 1.00 0.62 H new ATOM 0 HE ARG B 62 -12.490 12.605 -11.973 1.00 1.45 H new ATOM 0 HH11 ARG B 62 -12.957 15.291 -9.718 1.00 1.66 H new ATOM 0 HH12 ARG B 62 -11.825 16.347 -10.569 1.00 1.66 H new ATOM 0 HH21 ARG B 62 -11.037 13.963 -13.045 1.00 3.02 H new ATOM 0 HH22 ARG B 62 -10.744 15.598 -12.444 1.00 3.02 H new ATOM 2624 N MET B 63 -12.181 7.915 -8.652 1.00 0.45 N ATOM 2625 CA MET B 63 -11.241 6.933 -8.130 1.00 0.44 C ATOM 2626 C MET B 63 -11.656 5.567 -8.618 1.00 0.41 C ATOM 2627 O MET B 63 -10.837 4.801 -9.108 1.00 0.42 O ATOM 2628 CB MET B 63 -11.229 6.904 -6.600 1.00 0.43 C ATOM 2629 CG MET B 63 -11.197 8.266 -5.930 1.00 0.49 C ATOM 2630 SD MET B 63 -9.580 9.076 -6.004 1.00 0.63 S ATOM 2631 CE MET B 63 -9.598 9.806 -7.641 1.00 1.54 C ATOM 0 H MET B 63 -12.744 8.377 -7.938 1.00 0.45 H new ATOM 0 HA MET B 63 -10.244 7.206 -8.477 1.00 0.44 H new ATOM 0 HB2 MET B 63 -12.113 6.368 -6.255 1.00 0.43 H new ATOM 0 HB3 MET B 63 -10.361 6.333 -6.270 1.00 0.43 H new ATOM 0 HG2 MET B 63 -11.938 8.911 -6.402 1.00 0.49 H new ATOM 0 HG3 MET B 63 -11.490 8.154 -4.886 1.00 0.49 H new ATOM 0 HE1 MET B 63 -9.067 10.758 -7.621 1.00 1.54 H new ATOM 0 HE2 MET B 63 -9.109 9.133 -8.345 1.00 1.54 H new ATOM 0 HE3 MET B 63 -10.629 9.972 -7.954 1.00 1.54 H new ATOM 2641 N MET B 64 -12.952 5.297 -8.478 1.00 0.41 N ATOM 2642 CA MET B 64 -13.551 4.039 -8.893 1.00 0.42 C ATOM 2643 C MET B 64 -13.004 3.584 -10.218 1.00 0.44 C ATOM 2644 O MET B 64 -12.396 2.538 -10.309 1.00 0.41 O ATOM 2645 CB MET B 64 -15.070 4.186 -8.976 1.00 0.55 C ATOM 2646 CG MET B 64 -15.795 2.894 -9.298 1.00 0.65 C ATOM 2647 SD MET B 64 -16.439 2.830 -10.976 1.00 1.87 S ATOM 2648 CE MET B 64 -17.559 4.227 -10.976 1.00 2.41 C ATOM 0 H MET B 64 -13.618 5.953 -8.070 1.00 0.41 H new ATOM 0 HA MET B 64 -13.301 3.284 -8.148 1.00 0.42 H new ATOM 0 HB2 MET B 64 -15.440 4.572 -8.026 1.00 0.55 H new ATOM 0 HB3 MET B 64 -15.313 4.927 -9.738 1.00 0.55 H new ATOM 0 HG2 MET B 64 -15.113 2.057 -9.147 1.00 0.65 H new ATOM 0 HG3 MET B 64 -16.619 2.765 -8.596 1.00 0.65 H new ATOM 0 HE1 MET B 64 -18.020 4.324 -11.959 1.00 2.41 H new ATOM 0 HE2 MET B 64 -18.334 4.072 -10.226 1.00 2.41 H new ATOM 0 HE3 MET B 64 -17.006 5.137 -10.743 1.00 2.41 H new ATOM 2658 N LYS B 65 -13.173 4.401 -11.224 1.00 0.52 N ATOM 2659 CA LYS B 65 -12.778 4.017 -12.575 1.00 0.56 C ATOM 2660 C LYS B 65 -11.272 4.122 -12.806 1.00 0.54 C ATOM 2661 O LYS B 65 -10.739 3.501 -13.728 1.00 0.60 O ATOM 2662 CB LYS B 65 -13.552 4.829 -13.595 1.00 0.67 C ATOM 2663 CG LYS B 65 -15.033 4.518 -13.550 1.00 0.79 C ATOM 2664 CD LYS B 65 -15.324 3.066 -13.936 1.00 0.86 C ATOM 2665 CE LYS B 65 -14.751 2.687 -15.293 1.00 1.57 C ATOM 2666 NZ LYS B 65 -14.956 1.242 -15.590 1.00 2.49 N ATOM 0 H LYS B 65 -13.578 5.334 -11.146 1.00 0.52 H new ATOM 0 HA LYS B 65 -13.027 2.963 -12.699 1.00 0.56 H new ATOM 0 HB2 LYS B 65 -13.397 5.892 -13.408 1.00 0.67 H new ATOM 0 HB3 LYS B 65 -13.167 4.622 -14.593 1.00 0.67 H new ATOM 0 HG2 LYS B 65 -15.414 4.710 -12.547 1.00 0.79 H new ATOM 0 HG3 LYS B 65 -15.565 5.187 -14.226 1.00 0.79 H new ATOM 0 HD2 LYS B 65 -14.911 2.404 -13.175 1.00 0.86 H new ATOM 0 HD3 LYS B 65 -16.402 2.907 -13.946 1.00 0.86 H new ATOM 0 HE2 LYS B 65 -15.223 3.289 -16.069 1.00 1.57 H new ATOM 0 HE3 LYS B 65 -13.686 2.916 -15.316 1.00 1.57 H new ATOM 0 HZ1 LYS B 65 -14.222 0.916 -16.250 1.00 2.49 H new ATOM 0 HZ2 LYS B 65 -14.896 0.694 -14.708 1.00 2.49 H new ATOM 0 HZ3 LYS B 65 -15.893 1.105 -16.020 1.00 2.49 H new ATOM 2680 N LYS B 66 -10.588 4.917 -11.995 1.00 0.50 N ATOM 2681 CA LYS B 66 -9.131 4.969 -12.046 1.00 0.52 C ATOM 2682 C LYS B 66 -8.562 3.638 -11.574 1.00 0.48 C ATOM 2683 O LYS B 66 -7.551 3.153 -12.080 1.00 0.54 O ATOM 2684 CB LYS B 66 -8.594 6.091 -11.151 1.00 0.55 C ATOM 2685 CG LYS B 66 -7.090 6.302 -11.273 1.00 0.91 C ATOM 2686 CD LYS B 66 -6.559 7.229 -10.190 1.00 0.96 C ATOM 2687 CE LYS B 66 -6.276 6.482 -8.893 1.00 0.73 C ATOM 2688 NZ LYS B 66 -5.124 5.548 -9.031 1.00 1.47 N ATOM 0 H LYS B 66 -11.012 5.530 -11.299 1.00 0.50 H new ATOM 0 HA LYS B 66 -8.827 5.166 -13.074 1.00 0.52 H new ATOM 0 HB2 LYS B 66 -9.104 7.021 -11.403 1.00 0.55 H new ATOM 0 HB3 LYS B 66 -8.838 5.864 -10.113 1.00 0.55 H new ATOM 0 HG2 LYS B 66 -6.582 5.340 -11.209 1.00 0.91 H new ATOM 0 HG3 LYS B 66 -6.860 6.719 -12.253 1.00 0.91 H new ATOM 0 HD2 LYS B 66 -5.645 7.710 -10.539 1.00 0.96 H new ATOM 0 HD3 LYS B 66 -7.284 8.021 -10.002 1.00 0.96 H new ATOM 0 HE2 LYS B 66 -6.069 7.199 -8.099 1.00 0.73 H new ATOM 0 HE3 LYS B 66 -7.163 5.923 -8.595 1.00 0.73 H new ATOM 0 HZ1 LYS B 66 -4.684 5.399 -8.100 1.00 1.47 H new ATOM 0 HZ2 LYS B 66 -5.458 4.637 -9.405 1.00 1.47 H new ATOM 0 HZ3 LYS B 66 -4.424 5.954 -9.684 1.00 1.47 H new ATOM 2702 N LEU B 67 -9.246 3.055 -10.606 1.00 0.41 N ATOM 2703 CA LEU B 67 -8.791 1.846 -9.948 1.00 0.39 C ATOM 2704 C LEU B 67 -9.404 0.610 -10.579 1.00 0.40 C ATOM 2705 O LEU B 67 -8.719 -0.395 -10.749 1.00 0.46 O ATOM 2706 CB LEU B 67 -9.177 1.907 -8.488 1.00 0.34 C ATOM 2707 CG LEU B 67 -8.817 3.221 -7.793 1.00 0.33 C ATOM 2708 CD1 LEU B 67 -9.497 3.325 -6.443 1.00 0.30 C ATOM 2709 CD2 LEU B 67 -7.313 3.347 -7.645 1.00 0.37 C ATOM 0 H LEU B 67 -10.135 3.409 -10.254 1.00 0.41 H new ATOM 0 HA LEU B 67 -7.708 1.780 -10.055 1.00 0.39 H new ATOM 0 HB2 LEU B 67 -10.252 1.747 -8.402 1.00 0.34 H new ATOM 0 HB3 LEU B 67 -8.690 1.086 -7.961 1.00 0.34 H new ATOM 0 HG LEU B 67 -9.174 4.043 -8.414 1.00 0.33 H new ATOM 0 HD11 LEU B 67 -9.224 4.268 -5.970 1.00 0.30 H new ATOM 0 HD12 LEU B 67 -10.578 3.285 -6.576 1.00 0.30 H new ATOM 0 HD13 LEU B 67 -9.178 2.497 -5.810 1.00 0.30 H new ATOM 0 HD21 LEU B 67 -7.074 4.287 -7.149 1.00 0.37 H new ATOM 0 HD22 LEU B 67 -6.935 2.516 -7.049 1.00 0.37 H new ATOM 0 HD23 LEU B 67 -6.848 3.328 -8.630 1.00 0.37 H new ATOM 2721 N ASP B 68 -10.704 0.698 -10.890 1.00 0.39 N ATOM 2722 CA ASP B 68 -11.451 -0.374 -11.555 1.00 0.42 C ATOM 2723 C ASP B 68 -10.881 -0.597 -12.938 1.00 0.52 C ATOM 2724 O ASP B 68 -11.414 -0.165 -13.963 1.00 0.57 O ATOM 2725 CB ASP B 68 -12.949 -0.031 -11.612 1.00 0.43 C ATOM 2726 CG ASP B 68 -13.753 -0.933 -12.535 1.00 0.46 C ATOM 2727 OD1 ASP B 68 -13.897 -2.136 -12.234 1.00 1.23 O ATOM 2728 OD2 ASP B 68 -14.265 -0.431 -13.566 1.00 1.13 O ATOM 0 H ASP B 68 -11.270 1.522 -10.685 1.00 0.39 H new ATOM 0 HA ASP B 68 -11.351 -1.298 -10.985 1.00 0.42 H new ATOM 0 HB2 ASP B 68 -13.365 -0.094 -10.606 1.00 0.43 H new ATOM 0 HB3 ASP B 68 -13.063 1.002 -11.940 1.00 0.43 H new ATOM 2733 N THR B 69 -9.752 -1.238 -12.927 1.00 0.58 N ATOM 2734 CA THR B 69 -9.004 -1.536 -14.113 1.00 0.74 C ATOM 2735 C THR B 69 -9.469 -2.864 -14.682 1.00 0.83 C ATOM 2736 O THR B 69 -9.244 -3.181 -15.850 1.00 0.99 O ATOM 2737 CB THR B 69 -7.507 -1.573 -13.770 1.00 0.79 C ATOM 2738 OG1 THR B 69 -6.710 -1.406 -14.951 1.00 0.91 O ATOM 2739 CG2 THR B 69 -7.139 -2.879 -13.082 1.00 0.82 C ATOM 0 H THR B 69 -9.313 -1.578 -12.071 1.00 0.58 H new ATOM 0 HA THR B 69 -9.167 -0.765 -14.866 1.00 0.74 H new ATOM 0 HB THR B 69 -7.304 -0.748 -13.087 1.00 0.79 H new ATOM 0 HG1 THR B 69 -5.760 -1.431 -14.711 1.00 0.91 H new ATOM 0 HG21 THR B 69 -6.074 -2.880 -12.850 1.00 0.82 H new ATOM 0 HG22 THR B 69 -7.712 -2.978 -12.160 1.00 0.82 H new ATOM 0 HG23 THR B 69 -7.367 -3.715 -13.743 1.00 0.82 H new ATOM 2747 N ASN B 70 -10.141 -3.622 -13.835 1.00 0.80 N ATOM 2748 CA ASN B 70 -10.729 -4.883 -14.228 1.00 0.94 C ATOM 2749 C ASN B 70 -12.061 -4.633 -14.910 1.00 0.86 C ATOM 2750 O ASN B 70 -12.634 -5.514 -15.555 1.00 0.98 O ATOM 2751 CB ASN B 70 -10.922 -5.743 -12.989 1.00 1.00 C ATOM 2752 CG ASN B 70 -11.295 -7.175 -13.307 1.00 1.25 C ATOM 2753 OD1 ASN B 70 -10.933 -7.707 -14.356 1.00 1.46 O ATOM 2754 ND2 ASN B 70 -12.014 -7.814 -12.397 1.00 1.66 N ATOM 0 H ASN B 70 -10.293 -3.378 -12.856 1.00 0.80 H new ATOM 0 HA ASN B 70 -10.072 -5.400 -14.927 1.00 0.94 H new ATOM 0 HB2 ASN B 70 -10.003 -5.736 -12.403 1.00 1.00 H new ATOM 0 HB3 ASN B 70 -11.700 -5.302 -12.366 1.00 1.00 H new ATOM 0 HD21 ASN B 70 -12.288 -8.784 -12.553 1.00 1.66 H new ATOM 0 HD22 ASN B 70 -12.294 -7.336 -11.540 1.00 1.66 H new ATOM 2761 N SER B 71 -12.531 -3.400 -14.742 1.00 0.70 N ATOM 2762 CA SER B 71 -13.751 -2.915 -15.363 1.00 0.66 C ATOM 2763 C SER B 71 -14.941 -3.766 -14.945 1.00 0.61 C ATOM 2764 O SER B 71 -15.854 -4.025 -15.730 1.00 0.66 O ATOM 2765 CB SER B 71 -13.599 -2.880 -16.891 1.00 0.82 C ATOM 2766 OG SER B 71 -14.706 -2.246 -17.510 1.00 1.48 O ATOM 0 H SER B 71 -12.065 -2.703 -14.161 1.00 0.70 H new ATOM 0 HA SER B 71 -13.935 -1.897 -15.021 1.00 0.66 H new ATOM 0 HB2 SER B 71 -12.682 -2.352 -17.154 1.00 0.82 H new ATOM 0 HB3 SER B 71 -13.502 -3.897 -17.271 1.00 0.82 H new ATOM 0 HG SER B 71 -15.538 -2.632 -17.166 1.00 1.48 H new ATOM 2772 N ASP B 72 -14.937 -4.164 -13.685 1.00 0.58 N ATOM 2773 CA ASP B 72 -15.977 -5.022 -13.151 1.00 0.65 C ATOM 2774 C ASP B 72 -16.914 -4.207 -12.272 1.00 0.56 C ATOM 2775 O ASP B 72 -18.041 -4.613 -11.991 1.00 0.66 O ATOM 2776 CB ASP B 72 -15.351 -6.166 -12.348 1.00 0.80 C ATOM 2777 CG ASP B 72 -16.350 -7.248 -11.990 1.00 0.92 C ATOM 2778 OD1 ASP B 72 -16.612 -8.128 -12.840 1.00 1.53 O ATOM 2779 OD2 ASP B 72 -16.873 -7.236 -10.862 1.00 1.56 O ATOM 0 H ASP B 72 -14.219 -3.904 -13.009 1.00 0.58 H new ATOM 0 HA ASP B 72 -16.549 -5.449 -13.975 1.00 0.65 H new ATOM 0 HB2 ASP B 72 -14.537 -6.606 -12.925 1.00 0.80 H new ATOM 0 HB3 ASP B 72 -14.913 -5.765 -11.434 1.00 0.80 H new ATOM 2784 N GLY B 73 -16.443 -3.037 -11.858 1.00 0.45 N ATOM 2785 CA GLY B 73 -17.245 -2.171 -11.017 1.00 0.46 C ATOM 2786 C GLY B 73 -16.891 -2.344 -9.562 1.00 0.41 C ATOM 2787 O GLY B 73 -17.541 -1.788 -8.674 1.00 0.44 O ATOM 0 H GLY B 73 -15.519 -2.673 -12.090 1.00 0.45 H new ATOM 0 HA2 GLY B 73 -17.093 -1.132 -11.310 1.00 0.46 H new ATOM 0 HA3 GLY B 73 -18.302 -2.392 -11.166 1.00 0.46 H new ATOM 2791 N GLN B 74 -15.857 -3.132 -9.328 1.00 0.38 N ATOM 2792 CA GLN B 74 -15.350 -3.370 -7.999 1.00 0.37 C ATOM 2793 C GLN B 74 -13.854 -3.155 -8.012 1.00 0.36 C ATOM 2794 O GLN B 74 -13.240 -3.125 -9.075 1.00 0.39 O ATOM 2795 CB GLN B 74 -15.631 -4.800 -7.539 1.00 0.38 C ATOM 2796 CG GLN B 74 -17.076 -5.244 -7.673 1.00 0.41 C ATOM 2797 CD GLN B 74 -17.329 -6.592 -7.023 1.00 0.49 C ATOM 2798 OE1 GLN B 74 -17.630 -6.577 -5.736 1.00 1.02 O flip ATOM 2799 NE2 GLN B 74 -17.234 -7.637 -7.659 1.00 1.25 N flip ATOM 0 H GLN B 74 -15.347 -3.624 -10.061 1.00 0.38 H new ATOM 0 HA GLN B 74 -15.846 -2.684 -7.312 1.00 0.37 H new ATOM 0 HB2 GLN B 74 -15.003 -5.481 -8.113 1.00 0.38 H new ATOM 0 HB3 GLN B 74 -15.333 -4.895 -6.495 1.00 0.38 H new ATOM 0 HG2 GLN B 74 -17.727 -4.497 -7.219 1.00 0.41 H new ATOM 0 HG3 GLN B 74 -17.341 -5.297 -8.729 1.00 0.41 H new ATOM 0 HE21 GLN B 74 -17.000 -7.611 -8.651 1.00 1.25 H new ATOM 0 HE22 GLN B 74 -17.389 -8.532 -7.195 1.00 1.25 H new ATOM 2808 N LEU B 75 -13.275 -3.017 -6.843 1.00 0.33 N ATOM 2809 CA LEU B 75 -11.838 -2.885 -6.736 1.00 0.31 C ATOM 2810 C LEU B 75 -11.249 -4.096 -6.073 1.00 0.32 C ATOM 2811 O LEU B 75 -11.464 -4.337 -4.885 1.00 0.32 O ATOM 2812 CB LEU B 75 -11.458 -1.632 -5.961 1.00 0.31 C ATOM 2813 CG LEU B 75 -12.034 -0.356 -6.547 1.00 0.32 C ATOM 2814 CD1 LEU B 75 -11.572 0.848 -5.749 1.00 0.35 C ATOM 2815 CD2 LEU B 75 -11.634 -0.244 -8.011 1.00 0.35 C ATOM 0 H LEU B 75 -13.774 -2.993 -5.953 1.00 0.33 H new ATOM 0 HA LEU B 75 -11.434 -2.799 -7.745 1.00 0.31 H new ATOM 0 HB2 LEU B 75 -11.799 -1.735 -4.931 1.00 0.31 H new ATOM 0 HB3 LEU B 75 -10.372 -1.550 -5.930 1.00 0.31 H new ATOM 0 HG LEU B 75 -13.122 -0.387 -6.490 1.00 0.32 H new ATOM 0 HD11 LEU B 75 -11.994 1.755 -6.182 1.00 0.35 H new ATOM 0 HD12 LEU B 75 -11.906 0.750 -4.716 1.00 0.35 H new ATOM 0 HD13 LEU B 75 -10.484 0.906 -5.775 1.00 0.35 H new ATOM 0 HD21 LEU B 75 -12.048 0.672 -8.432 1.00 0.35 H new ATOM 0 HD22 LEU B 75 -10.547 -0.222 -8.091 1.00 0.35 H new ATOM 0 HD23 LEU B 75 -12.020 -1.102 -8.560 1.00 0.35 H new ATOM 2827 N ASP B 76 -10.524 -4.865 -6.848 1.00 0.35 N ATOM 2828 CA ASP B 76 -9.816 -6.009 -6.317 1.00 0.36 C ATOM 2829 C ASP B 76 -8.641 -5.502 -5.503 1.00 0.33 C ATOM 2830 O ASP B 76 -8.400 -4.301 -5.463 1.00 0.32 O ATOM 2831 CB ASP B 76 -9.378 -6.938 -7.454 1.00 0.44 C ATOM 2832 CG ASP B 76 -7.877 -6.922 -7.708 1.00 0.91 C ATOM 2833 OD1 ASP B 76 -7.389 -5.981 -8.359 1.00 1.68 O ATOM 2834 OD2 ASP B 76 -7.175 -7.847 -7.245 1.00 1.44 O ATOM 0 H ASP B 76 -10.407 -4.721 -7.851 1.00 0.35 H new ATOM 0 HA ASP B 76 -10.464 -6.598 -5.668 1.00 0.36 H new ATOM 0 HB2 ASP B 76 -9.688 -7.956 -7.220 1.00 0.44 H new ATOM 0 HB3 ASP B 76 -9.896 -6.649 -8.368 1.00 0.44 H new ATOM 2839 N PHE B 77 -7.915 -6.387 -4.853 1.00 0.40 N ATOM 2840 CA PHE B 77 -6.892 -5.961 -3.918 1.00 0.49 C ATOM 2841 C PHE B 77 -5.853 -5.055 -4.585 1.00 0.39 C ATOM 2842 O PHE B 77 -5.473 -4.036 -4.022 1.00 0.38 O ATOM 2843 CB PHE B 77 -6.223 -7.163 -3.278 1.00 0.72 C ATOM 2844 CG PHE B 77 -5.577 -6.834 -1.967 1.00 1.75 C ATOM 2845 CD1 PHE B 77 -6.309 -6.232 -0.957 1.00 2.56 C ATOM 2846 CD2 PHE B 77 -4.244 -7.111 -1.746 1.00 2.66 C ATOM 2847 CE1 PHE B 77 -5.721 -5.916 0.250 1.00 3.67 C ATOM 2848 CE2 PHE B 77 -3.652 -6.797 -0.542 1.00 3.77 C ATOM 2849 CZ PHE B 77 -4.389 -6.198 0.457 1.00 4.14 C ATOM 0 H PHE B 77 -8.012 -7.398 -4.952 1.00 0.40 H new ATOM 0 HA PHE B 77 -7.381 -5.376 -3.139 1.00 0.49 H new ATOM 0 HB2 PHE B 77 -6.964 -7.948 -3.127 1.00 0.72 H new ATOM 0 HB3 PHE B 77 -5.471 -7.561 -3.959 1.00 0.72 H new ATOM 0 HD1 PHE B 77 -7.353 -6.007 -1.117 1.00 2.56 H new ATOM 0 HD2 PHE B 77 -3.659 -7.578 -2.524 1.00 2.66 H new ATOM 0 HE1 PHE B 77 -6.303 -5.449 1.030 1.00 3.67 H new ATOM 0 HE2 PHE B 77 -2.608 -7.021 -0.381 1.00 3.77 H new ATOM 0 HZ PHE B 77 -3.923 -5.951 1.399 1.00 4.14 H new ATOM 2859 N SER B 78 -5.411 -5.408 -5.787 1.00 0.38 N ATOM 2860 CA SER B 78 -4.450 -4.575 -6.507 1.00 0.38 C ATOM 2861 C SER B 78 -5.072 -3.246 -6.932 1.00 0.38 C ATOM 2862 O SER B 78 -4.377 -2.235 -7.031 1.00 0.44 O ATOM 2863 CB SER B 78 -3.879 -5.312 -7.723 1.00 0.44 C ATOM 2864 OG SER B 78 -4.889 -5.782 -8.594 1.00 1.32 O ATOM 0 H SER B 78 -5.697 -6.254 -6.280 1.00 0.38 H new ATOM 0 HA SER B 78 -3.630 -4.361 -5.821 1.00 0.38 H new ATOM 0 HB2 SER B 78 -3.214 -4.643 -8.270 1.00 0.44 H new ATOM 0 HB3 SER B 78 -3.276 -6.154 -7.383 1.00 0.44 H new ATOM 0 HG SER B 78 -5.768 -5.535 -8.239 1.00 1.32 H new ATOM 2870 N GLU B 79 -6.378 -3.244 -7.167 1.00 0.36 N ATOM 2871 CA GLU B 79 -7.087 -2.024 -7.545 1.00 0.42 C ATOM 2872 C GLU B 79 -7.311 -1.157 -6.309 1.00 0.33 C ATOM 2873 O GLU B 79 -7.233 0.072 -6.357 1.00 0.33 O ATOM 2874 CB GLU B 79 -8.415 -2.378 -8.216 1.00 0.51 C ATOM 2875 CG GLU B 79 -8.232 -3.243 -9.453 1.00 0.64 C ATOM 2876 CD GLU B 79 -9.537 -3.708 -10.066 1.00 1.81 C ATOM 2877 OE1 GLU B 79 -10.160 -4.634 -9.511 1.00 2.57 O ATOM 2878 OE2 GLU B 79 -9.916 -3.180 -11.127 1.00 2.54 O ATOM 0 H GLU B 79 -6.969 -4.073 -7.103 1.00 0.36 H new ATOM 0 HA GLU B 79 -6.487 -1.459 -8.258 1.00 0.42 H new ATOM 0 HB2 GLU B 79 -9.051 -2.901 -7.502 1.00 0.51 H new ATOM 0 HB3 GLU B 79 -8.934 -1.460 -8.492 1.00 0.51 H new ATOM 0 HG2 GLU B 79 -7.670 -2.681 -10.199 1.00 0.64 H new ATOM 0 HG3 GLU B 79 -7.632 -4.115 -9.191 1.00 0.64 H new ATOM 2885 N PHE B 80 -7.566 -1.827 -5.200 1.00 0.28 N ATOM 2886 CA PHE B 80 -7.677 -1.192 -3.899 1.00 0.25 C ATOM 2887 C PHE B 80 -6.341 -0.590 -3.489 1.00 0.23 C ATOM 2888 O PHE B 80 -6.267 0.546 -3.028 1.00 0.26 O ATOM 2889 CB PHE B 80 -8.117 -2.237 -2.875 1.00 0.31 C ATOM 2890 CG PHE B 80 -8.024 -1.784 -1.453 1.00 0.71 C ATOM 2891 CD1 PHE B 80 -8.942 -0.894 -0.936 1.00 1.26 C ATOM 2892 CD2 PHE B 80 -7.020 -2.265 -0.628 1.00 1.60 C ATOM 2893 CE1 PHE B 80 -8.862 -0.487 0.376 1.00 1.56 C ATOM 2894 CE2 PHE B 80 -6.934 -1.860 0.685 1.00 1.98 C ATOM 2895 CZ PHE B 80 -7.856 -0.970 1.188 1.00 1.64 C ATOM 0 H PHE B 80 -7.703 -2.837 -5.177 1.00 0.28 H new ATOM 0 HA PHE B 80 -8.414 -0.390 -3.947 1.00 0.25 H new ATOM 0 HB2 PHE B 80 -9.147 -2.524 -3.086 1.00 0.31 H new ATOM 0 HB3 PHE B 80 -7.506 -3.131 -3.000 1.00 0.31 H new ATOM 0 HD1 PHE B 80 -9.731 -0.513 -1.567 1.00 1.26 H new ATOM 0 HD2 PHE B 80 -6.297 -2.965 -1.019 1.00 1.60 H new ATOM 0 HE1 PHE B 80 -9.586 0.210 0.770 1.00 1.56 H new ATOM 0 HE2 PHE B 80 -6.146 -2.239 1.318 1.00 1.98 H new ATOM 0 HZ PHE B 80 -7.792 -0.650 2.218 1.00 1.64 H new ATOM 2905 N LEU B 81 -5.284 -1.364 -3.662 1.00 0.25 N ATOM 2906 CA LEU B 81 -3.947 -0.913 -3.331 1.00 0.26 C ATOM 2907 C LEU B 81 -3.476 0.140 -4.304 1.00 0.26 C ATOM 2908 O LEU B 81 -2.614 0.952 -3.985 1.00 0.27 O ATOM 2909 CB LEU B 81 -2.982 -2.079 -3.337 1.00 0.29 C ATOM 2910 CG LEU B 81 -3.241 -3.120 -2.252 1.00 0.28 C ATOM 2911 CD1 LEU B 81 -2.239 -4.244 -2.374 1.00 0.33 C ATOM 2912 CD2 LEU B 81 -3.195 -2.481 -0.862 1.00 0.29 C ATOM 0 H LEU B 81 -5.328 -2.313 -4.032 1.00 0.25 H new ATOM 0 HA LEU B 81 -3.978 -0.476 -2.333 1.00 0.26 H new ATOM 0 HB2 LEU B 81 -3.028 -2.568 -4.310 1.00 0.29 H new ATOM 0 HB3 LEU B 81 -1.968 -1.696 -3.221 1.00 0.29 H new ATOM 0 HG LEU B 81 -4.241 -3.532 -2.387 1.00 0.28 H new ATOM 0 HD11 LEU B 81 -2.427 -4.985 -1.597 1.00 0.33 H new ATOM 0 HD12 LEU B 81 -2.335 -4.712 -3.354 1.00 0.33 H new ATOM 0 HD13 LEU B 81 -1.231 -3.847 -2.259 1.00 0.33 H new ATOM 0 HD21 LEU B 81 -3.382 -3.243 -0.105 1.00 0.29 H new ATOM 0 HD22 LEU B 81 -2.212 -2.039 -0.697 1.00 0.29 H new ATOM 0 HD23 LEU B 81 -3.958 -1.705 -0.793 1.00 0.29 H new ATOM 2924 N ASN B 82 -4.039 0.109 -5.496 1.00 0.26 N ATOM 2925 CA ASN B 82 -3.779 1.143 -6.475 1.00 0.26 C ATOM 2926 C ASN B 82 -4.215 2.480 -5.891 1.00 0.23 C ATOM 2927 O ASN B 82 -3.542 3.502 -6.035 1.00 0.24 O ATOM 2928 CB ASN B 82 -4.562 0.870 -7.761 1.00 0.30 C ATOM 2929 CG ASN B 82 -4.050 1.674 -8.943 1.00 0.78 C ATOM 2930 OD1 ASN B 82 -4.478 2.805 -9.171 1.00 1.50 O ATOM 2931 ND2 ASN B 82 -3.141 1.092 -9.709 1.00 1.42 N ATOM 0 H ASN B 82 -4.679 -0.621 -5.809 1.00 0.26 H new ATOM 0 HA ASN B 82 -2.716 1.159 -6.714 1.00 0.26 H new ATOM 0 HB2 ASN B 82 -4.504 -0.192 -7.998 1.00 0.30 H new ATOM 0 HB3 ASN B 82 -5.614 1.103 -7.597 1.00 0.30 H new ATOM 0 HD21 ASN B 82 -2.770 1.583 -10.522 1.00 1.42 H new ATOM 0 HD22 ASN B 82 -2.812 0.153 -9.486 1.00 1.42 H new ATOM 2938 N LEU B 83 -5.360 2.438 -5.222 1.00 0.23 N ATOM 2939 CA LEU B 83 -5.883 3.573 -4.487 1.00 0.24 C ATOM 2940 C LEU B 83 -4.947 3.971 -3.361 1.00 0.23 C ATOM 2941 O LEU B 83 -4.591 5.139 -3.225 1.00 0.25 O ATOM 2942 CB LEU B 83 -7.240 3.222 -3.901 1.00 0.27 C ATOM 2943 CG LEU B 83 -7.684 4.127 -2.767 1.00 0.31 C ATOM 2944 CD1 LEU B 83 -8.083 5.492 -3.304 1.00 0.35 C ATOM 2945 CD2 LEU B 83 -8.809 3.482 -1.978 1.00 0.36 C ATOM 0 H LEU B 83 -5.952 1.609 -5.176 1.00 0.23 H new ATOM 0 HA LEU B 83 -5.977 4.410 -5.179 1.00 0.24 H new ATOM 0 HB2 LEU B 83 -7.986 3.261 -4.695 1.00 0.27 H new ATOM 0 HB3 LEU B 83 -7.212 2.194 -3.540 1.00 0.27 H new ATOM 0 HG LEU B 83 -6.847 4.272 -2.084 1.00 0.31 H new ATOM 0 HD11 LEU B 83 -8.399 6.130 -2.478 1.00 0.35 H new ATOM 0 HD12 LEU B 83 -7.231 5.948 -3.809 1.00 0.35 H new ATOM 0 HD13 LEU B 83 -8.905 5.379 -4.010 1.00 0.35 H new ATOM 0 HD21 LEU B 83 -9.114 4.146 -1.169 1.00 0.36 H new ATOM 0 HD22 LEU B 83 -9.658 3.300 -2.637 1.00 0.36 H new ATOM 0 HD23 LEU B 83 -8.465 2.536 -1.560 1.00 0.36 H new ATOM 2957 N ILE B 84 -4.573 2.990 -2.545 1.00 0.24 N ATOM 2958 CA ILE B 84 -3.641 3.209 -1.450 1.00 0.26 C ATOM 2959 C ILE B 84 -2.367 3.867 -1.968 1.00 0.27 C ATOM 2960 O ILE B 84 -1.759 4.687 -1.286 1.00 0.29 O ATOM 2961 CB ILE B 84 -3.336 1.881 -0.708 1.00 0.29 C ATOM 2962 CG1 ILE B 84 -4.306 1.689 0.464 1.00 0.55 C ATOM 2963 CG2 ILE B 84 -1.895 1.822 -0.211 1.00 0.47 C ATOM 2964 CD1 ILE B 84 -5.763 1.650 0.060 1.00 0.62 C ATOM 0 H ILE B 84 -4.906 2.029 -2.625 1.00 0.24 H new ATOM 0 HA ILE B 84 -4.101 3.884 -0.728 1.00 0.26 H new ATOM 0 HB ILE B 84 -3.471 1.071 -1.424 1.00 0.29 H new ATOM 0 HG12 ILE B 84 -4.058 0.761 0.979 1.00 0.55 H new ATOM 0 HG13 ILE B 84 -4.160 2.499 1.179 1.00 0.55 H new ATOM 0 HG21 ILE B 84 -1.726 0.875 0.302 1.00 0.47 H new ATOM 0 HG22 ILE B 84 -1.214 1.902 -1.059 1.00 0.47 H new ATOM 0 HG23 ILE B 84 -1.714 2.646 0.479 1.00 0.47 H new ATOM 0 HD11 ILE B 84 -6.383 1.512 0.946 1.00 0.62 H new ATOM 0 HD12 ILE B 84 -6.031 2.588 -0.427 1.00 0.62 H new ATOM 0 HD13 ILE B 84 -5.927 0.823 -0.630 1.00 0.62 H new ATOM 2976 N GLY B 85 -2.001 3.527 -3.196 1.00 0.26 N ATOM 2977 CA GLY B 85 -0.904 4.180 -3.857 1.00 0.29 C ATOM 2978 C GLY B 85 -1.153 5.662 -4.018 1.00 0.28 C ATOM 2979 O GLY B 85 -0.344 6.469 -3.588 1.00 0.32 O ATOM 0 H GLY B 85 -2.456 2.799 -3.747 1.00 0.26 H new ATOM 0 HA2 GLY B 85 0.011 4.024 -3.285 1.00 0.29 H new ATOM 0 HA3 GLY B 85 -0.748 3.728 -4.837 1.00 0.29 H new ATOM 2983 N GLY B 86 -2.306 6.024 -4.576 1.00 0.27 N ATOM 2984 CA GLY B 86 -2.583 7.423 -4.858 1.00 0.30 C ATOM 2985 C GLY B 86 -2.764 8.214 -3.585 1.00 0.29 C ATOM 2986 O GLY B 86 -2.389 9.383 -3.498 1.00 0.34 O ATOM 0 H GLY B 86 -3.050 5.377 -4.837 1.00 0.27 H new ATOM 0 HA2 GLY B 86 -1.765 7.848 -5.439 1.00 0.30 H new ATOM 0 HA3 GLY B 86 -3.482 7.502 -5.469 1.00 0.30 H new ATOM 2990 N LEU B 87 -3.340 7.551 -2.599 1.00 0.25 N ATOM 2991 CA LEU B 87 -3.510 8.105 -1.269 1.00 0.25 C ATOM 2992 C LEU B 87 -2.161 8.384 -0.633 1.00 0.26 C ATOM 2993 O LEU B 87 -1.848 9.518 -0.266 1.00 0.29 O ATOM 2994 CB LEU B 87 -4.258 7.100 -0.409 1.00 0.25 C ATOM 2995 CG LEU B 87 -5.737 6.924 -0.721 1.00 0.26 C ATOM 2996 CD1 LEU B 87 -6.254 5.675 -0.040 1.00 0.26 C ATOM 2997 CD2 LEU B 87 -6.529 8.139 -0.264 1.00 0.35 C ATOM 0 H LEU B 87 -3.706 6.604 -2.700 1.00 0.25 H new ATOM 0 HA LEU B 87 -4.068 9.038 -1.343 1.00 0.25 H new ATOM 0 HB2 LEU B 87 -3.768 6.131 -0.508 1.00 0.25 H new ATOM 0 HB3 LEU B 87 -4.160 7.401 0.634 1.00 0.25 H new ATOM 0 HG LEU B 87 -5.861 6.823 -1.799 1.00 0.26 H new ATOM 0 HD11 LEU B 87 -7.313 5.550 -0.264 1.00 0.26 H new ATOM 0 HD12 LEU B 87 -5.702 4.808 -0.402 1.00 0.26 H new ATOM 0 HD13 LEU B 87 -6.120 5.766 1.038 1.00 0.26 H new ATOM 0 HD21 LEU B 87 -7.584 7.994 -0.496 1.00 0.35 H new ATOM 0 HD22 LEU B 87 -6.408 8.268 0.812 1.00 0.35 H new ATOM 0 HD23 LEU B 87 -6.163 9.027 -0.780 1.00 0.35 H new ATOM 3009 N ALA B 88 -1.366 7.327 -0.515 1.00 0.25 N ATOM 3010 CA ALA B 88 -0.054 7.409 0.096 1.00 0.27 C ATOM 3011 C ALA B 88 0.797 8.436 -0.598 1.00 0.29 C ATOM 3012 O ALA B 88 1.490 9.220 0.036 1.00 0.35 O ATOM 3013 CB ALA B 88 0.645 6.071 0.021 1.00 0.26 C ATOM 0 H ALA B 88 -1.616 6.393 -0.841 1.00 0.25 H new ATOM 0 HA ALA B 88 -0.192 7.698 1.138 1.00 0.27 H new ATOM 0 HB1 ALA B 88 1.629 6.148 0.484 1.00 0.26 H new ATOM 0 HB2 ALA B 88 0.054 5.322 0.548 1.00 0.26 H new ATOM 0 HB3 ALA B 88 0.757 5.777 -1.023 1.00 0.26 H new ATOM 3019 N MET B 89 0.737 8.406 -1.911 1.00 0.29 N ATOM 3020 CA MET B 89 1.506 9.306 -2.735 1.00 0.32 C ATOM 3021 C MET B 89 1.135 10.750 -2.460 1.00 0.34 C ATOM 3022 O MET B 89 1.996 11.621 -2.441 1.00 0.39 O ATOM 3023 CB MET B 89 1.287 8.974 -4.200 1.00 0.34 C ATOM 3024 CG MET B 89 1.989 7.706 -4.639 1.00 0.42 C ATOM 3025 SD MET B 89 1.861 7.450 -6.417 1.00 1.03 S ATOM 3026 CE MET B 89 2.700 8.909 -7.031 1.00 1.89 C ATOM 0 H MET B 89 0.152 7.756 -2.436 1.00 0.29 H new ATOM 0 HA MET B 89 2.561 9.180 -2.492 1.00 0.32 H new ATOM 0 HB2 MET B 89 0.218 8.872 -4.386 1.00 0.34 H new ATOM 0 HB3 MET B 89 1.639 9.806 -4.810 1.00 0.34 H new ATOM 0 HG2 MET B 89 3.040 7.755 -4.354 1.00 0.42 H new ATOM 0 HG3 MET B 89 1.557 6.852 -4.117 1.00 0.42 H new ATOM 0 HE1 MET B 89 3.081 8.715 -8.034 1.00 1.89 H new ATOM 0 HE2 MET B 89 2.000 9.744 -7.064 1.00 1.89 H new ATOM 0 HE3 MET B 89 3.530 9.157 -6.370 1.00 1.89 H new ATOM 3036 N ALA B 90 -0.144 10.990 -2.216 1.00 0.34 N ATOM 3037 CA ALA B 90 -0.630 12.330 -1.934 1.00 0.39 C ATOM 3038 C ALA B 90 -0.154 12.802 -0.564 1.00 0.42 C ATOM 3039 O ALA B 90 0.136 13.982 -0.365 1.00 0.49 O ATOM 3040 CB ALA B 90 -2.147 12.364 -2.018 1.00 0.46 C ATOM 0 H ALA B 90 -0.866 10.270 -2.208 1.00 0.34 H new ATOM 0 HA ALA B 90 -0.224 13.011 -2.682 1.00 0.39 H new ATOM 0 HB1 ALA B 90 -2.501 13.373 -1.805 1.00 0.46 H new ATOM 0 HB2 ALA B 90 -2.463 12.073 -3.020 1.00 0.46 H new ATOM 0 HB3 ALA B 90 -2.567 11.671 -1.289 1.00 0.46 H new ATOM 3046 N CYS B 91 -0.061 11.868 0.373 1.00 0.41 N ATOM 3047 CA CYS B 91 0.390 12.178 1.722 1.00 0.47 C ATOM 3048 C CYS B 91 1.911 12.316 1.760 1.00 0.44 C ATOM 3049 O CYS B 91 2.451 13.159 2.472 1.00 0.51 O ATOM 3050 CB CYS B 91 -0.087 11.098 2.698 1.00 0.55 C ATOM 3051 SG CYS B 91 0.271 11.452 4.434 1.00 1.76 S ATOM 0 H CYS B 91 -0.293 10.886 0.222 1.00 0.41 H new ATOM 0 HA CYS B 91 -0.041 13.131 2.027 1.00 0.47 H new ATOM 0 HB2 CYS B 91 -1.163 10.968 2.580 1.00 0.55 H new ATOM 0 HB3 CYS B 91 0.380 10.150 2.429 1.00 0.55 H new ATOM 0 HG CYS B 91 -0.510 10.741 5.192 1.00 1.76 H new ATOM 3057 N HIS B 92 2.603 11.498 0.979 1.00 0.41 N ATOM 3058 CA HIS B 92 4.050 11.605 0.854 1.00 0.46 C ATOM 3059 C HIS B 92 4.394 12.902 0.146 1.00 0.45 C ATOM 3060 O HIS B 92 5.358 13.578 0.492 1.00 0.49 O ATOM 3061 CB HIS B 92 4.618 10.410 0.081 1.00 0.54 C ATOM 3062 CG HIS B 92 6.116 10.398 -0.018 1.00 1.21 C ATOM 3063 ND1 HIS B 92 6.934 9.961 1.004 1.00 2.12 N ATOM 3064 CD2 HIS B 92 6.946 10.769 -1.025 1.00 1.96 C ATOM 3065 CE1 HIS B 92 8.194 10.063 0.631 1.00 2.74 C ATOM 3066 NE2 HIS B 92 8.230 10.549 -0.594 1.00 2.62 N ATOM 0 H HIS B 92 2.185 10.752 0.422 1.00 0.41 H new ATOM 0 HA HIS B 92 4.495 11.603 1.849 1.00 0.46 H new ATOM 0 HB2 HIS B 92 4.289 9.490 0.564 1.00 0.54 H new ATOM 0 HB3 HIS B 92 4.198 10.409 -0.925 1.00 0.54 H new ATOM 0 HD2 HIS B 92 6.651 11.164 -1.986 1.00 1.96 H new ATOM 0 HE1 HIS B 92 9.053 9.794 1.228 1.00 2.74 H new ATOM 0 HE2 HIS B 92 9.076 10.732 -1.134 1.00 2.62 H new ATOM 3075 N ASP B 93 3.587 13.233 -0.848 1.00 0.45 N ATOM 3076 CA ASP B 93 3.699 14.500 -1.552 1.00 0.52 C ATOM 3077 C ASP B 93 3.472 15.649 -0.577 1.00 0.56 C ATOM 3078 O ASP B 93 4.168 16.660 -0.619 1.00 0.65 O ATOM 3079 CB ASP B 93 2.676 14.546 -2.686 1.00 0.54 C ATOM 3080 CG ASP B 93 2.736 15.829 -3.485 1.00 0.92 C ATOM 3081 OD1 ASP B 93 3.571 15.918 -4.411 1.00 1.74 O ATOM 3082 OD2 ASP B 93 1.940 16.746 -3.199 1.00 1.48 O ATOM 0 H ASP B 93 2.837 12.632 -1.190 1.00 0.45 H new ATOM 0 HA ASP B 93 4.698 14.598 -1.978 1.00 0.52 H new ATOM 0 HB2 ASP B 93 2.844 13.701 -3.353 1.00 0.54 H new ATOM 0 HB3 ASP B 93 1.675 14.430 -2.270 1.00 0.54 H new ATOM 3087 N SER B 94 2.511 15.455 0.321 1.00 0.54 N ATOM 3088 CA SER B 94 2.228 16.405 1.388 1.00 0.60 C ATOM 3089 C SER B 94 3.463 16.591 2.250 1.00 0.63 C ATOM 3090 O SER B 94 3.862 17.708 2.546 1.00 0.70 O ATOM 3091 CB SER B 94 1.081 15.890 2.256 1.00 0.65 C ATOM 3092 OG SER B 94 0.613 16.888 3.149 1.00 1.26 O ATOM 0 H SER B 94 1.907 14.633 0.328 1.00 0.54 H new ATOM 0 HA SER B 94 1.945 17.359 0.944 1.00 0.60 H new ATOM 0 HB2 SER B 94 0.262 15.559 1.618 1.00 0.65 H new ATOM 0 HB3 SER B 94 1.415 15.021 2.823 1.00 0.65 H new ATOM 0 HG SER B 94 -0.121 16.526 3.688 1.00 1.26 H new ATOM 3098 N PHE B 95 4.065 15.475 2.635 1.00 0.60 N ATOM 3099 CA PHE B 95 5.286 15.479 3.425 1.00 0.67 C ATOM 3100 C PHE B 95 6.363 16.289 2.724 1.00 0.73 C ATOM 3101 O PHE B 95 7.046 17.092 3.338 1.00 0.84 O ATOM 3102 CB PHE B 95 5.778 14.046 3.638 1.00 0.64 C ATOM 3103 CG PHE B 95 5.345 13.430 4.938 1.00 0.78 C ATOM 3104 CD1 PHE B 95 4.121 12.790 5.047 1.00 1.80 C ATOM 3105 CD2 PHE B 95 6.170 13.481 6.049 1.00 1.29 C ATOM 3106 CE1 PHE B 95 3.728 12.215 6.240 1.00 2.35 C ATOM 3107 CE2 PHE B 95 5.784 12.907 7.244 1.00 1.76 C ATOM 3108 CZ PHE B 95 4.561 12.273 7.339 1.00 2.07 C ATOM 0 H PHE B 95 3.720 14.542 2.408 1.00 0.60 H new ATOM 0 HA PHE B 95 5.072 15.933 4.393 1.00 0.67 H new ATOM 0 HB2 PHE B 95 5.418 13.425 2.818 1.00 0.64 H new ATOM 0 HB3 PHE B 95 6.867 14.037 3.590 1.00 0.64 H new ATOM 0 HD1 PHE B 95 3.467 12.740 4.189 1.00 1.80 H new ATOM 0 HD2 PHE B 95 7.127 13.976 5.980 1.00 1.29 H new ATOM 0 HE1 PHE B 95 2.770 11.721 6.313 1.00 2.35 H new ATOM 0 HE2 PHE B 95 6.437 12.954 8.103 1.00 1.76 H new ATOM 0 HZ PHE B 95 4.257 11.823 8.272 1.00 2.07 H new