USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1052 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 HIS : no HE2:sc= 2.15 K(o=2.5,f=-11!) USER MOD Set 1.2: A 179 HIS : no HE2:sc= 0.374 K(o=2.5,f=-6.5!) USER MOD Set 2.1: A 130 ASN : amide:sc= -1.65! K(o=-1.4!,f=-0.43) USER MOD Set 2.2: A 133 ASN : amide:sc= 0.236 K(o=-1.4,f=-0.43) USER MOD Set 3.1: A 88 ASN : amide:sc= 0.623 K(o=1.2,f=-0.032) USER MOD Set 3.2: A 142 TYR OH : rot 165:sc= 0.585 USER MOD Single : A 32 THR OG1 : rot 126:sc= 1.2 USER MOD Single : A 33 THR OG1 : rot 135:sc= 1.22 USER MOD Single : A 34 THR OG1 : rot 154:sc= 1.26 USER MOD Single : A 35 THR OG1 : rot 180:sc=0.000303 USER MOD Single : A 36 SER OG : rot 64:sc= 1.28 USER MOD Single : A 38 THR OG1 : rot 72:sc= 0.292 USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0.367 (180deg=0.294!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 165:sc= -0.573 (180deg=-0.921) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.819 K(o=0.82,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.19 K(o=-1.2,f=0.069) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.456 X(o=-0.46,f=-0.082) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -152:sc= -0.0105 (180deg=-1.04) USER MOD Single : A 84 THR OG1 : rot -165:sc= 0.651 USER MOD Single : A 85 ASN : amide:sc= -0.838 K(o=-0.84,f=-0.055) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 94 ASN : amide:sc= 0.889 K(o=0.89,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.74) USER MOD Single : A 105 GLN : amide:sc= -2.14! K(o=-2.1!,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 108 LYS NZ :NH3+ 166:sc= 0.307 (180deg=0.23) USER MOD Single : A 110 SER OG : rot 164:sc= 0.707 USER MOD Single : A 113 MET CE :methyl -173:sc= -0.508 (180deg=-0.662) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0504 USER MOD Single : A 118 MET CE :methyl 152:sc= -0.38 (180deg=-2.37!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 157:sc= 0.423 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot -178:sc= 0.845 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.11) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 162 LYS NZ :NH3+ 164:sc= 1.1 (180deg=0.923) USER MOD Single : A 173 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 181 TYR OH : rot 150:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ -111:sc= 0.908 (180deg=0.0327) USER MOD Single : A 184 ASN : amide:sc= -0.904 K(o=-0.9,f=-1.9) USER MOD Single : A 185 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N THR A 32 -1.265 -19.878 -1.336 1.00 1.15 N ATOM 168 CA THR A 32 -0.452 -18.912 -2.097 1.00 0.86 C ATOM 169 C THR A 32 0.875 -19.520 -2.573 1.00 0.88 C ATOM 170 O THR A 32 1.199 -20.657 -2.223 1.00 1.04 O ATOM 171 CB THR A 32 -0.171 -17.656 -1.254 1.00 0.73 C ATOM 172 OG1 THR A 32 0.394 -17.966 0.003 1.00 0.97 O ATOM 173 CG2 THR A 32 -1.426 -16.832 -1.005 1.00 0.81 C ATOM 0 HA THR A 32 -1.031 -18.637 -2.979 1.00 0.86 H new ATOM 0 HB THR A 32 0.539 -17.078 -1.845 1.00 0.73 H new ATOM 0 HG1 THR A 32 1.228 -17.465 0.119 1.00 0.97 H new ATOM 0 HG21 THR A 32 -1.174 -15.957 -0.406 1.00 0.81 H new ATOM 0 HG22 THR A 32 -1.845 -16.510 -1.958 1.00 0.81 H new ATOM 0 HG23 THR A 32 -2.159 -17.438 -0.472 1.00 0.81 H new ATOM 181 N THR A 33 1.660 -18.781 -3.366 1.00 0.85 N ATOM 182 CA THR A 33 3.015 -19.198 -3.804 1.00 1.00 C ATOM 183 C THR A 33 4.141 -18.576 -2.971 1.00 0.97 C ATOM 184 O THR A 33 5.276 -19.055 -2.998 1.00 1.22 O ATOM 185 CB THR A 33 3.246 -18.853 -5.276 1.00 1.16 C ATOM 186 OG1 THR A 33 2.913 -17.504 -5.498 1.00 1.57 O ATOM 187 CG2 THR A 33 2.417 -19.723 -6.219 1.00 1.53 C ATOM 0 H THR A 33 1.379 -17.870 -3.729 1.00 0.85 H new ATOM 0 HA THR A 33 3.047 -20.278 -3.658 1.00 1.00 H new ATOM 0 HB THR A 33 4.299 -19.038 -5.488 1.00 1.16 H new ATOM 0 HG1 THR A 33 3.612 -17.079 -6.037 1.00 1.57 H new ATOM 0 HG21 THR A 33 2.619 -19.436 -7.251 1.00 1.53 H new ATOM 0 HG22 THR A 33 2.682 -20.770 -6.075 1.00 1.53 H new ATOM 0 HG23 THR A 33 1.357 -19.584 -6.005 1.00 1.53 H new ATOM 195 N THR A 34 3.833 -17.515 -2.222 1.00 0.84 N ATOM 196 CA THR A 34 4.688 -16.905 -1.195 1.00 0.89 C ATOM 197 C THR A 34 3.826 -16.383 -0.036 1.00 0.72 C ATOM 198 O THR A 34 2.596 -16.333 -0.131 1.00 0.79 O ATOM 199 CB THR A 34 5.627 -15.840 -1.790 1.00 1.16 C ATOM 200 OG1 THR A 34 6.501 -15.373 -0.791 1.00 1.82 O ATOM 201 CG2 THR A 34 4.916 -14.626 -2.380 1.00 1.38 C ATOM 0 H THR A 34 2.939 -17.033 -2.318 1.00 0.84 H new ATOM 0 HA THR A 34 5.349 -17.669 -0.785 1.00 0.89 H new ATOM 0 HB THR A 34 6.149 -16.341 -2.605 1.00 1.16 H new ATOM 0 HG1 THR A 34 7.326 -15.045 -1.206 1.00 1.82 H new ATOM 0 HG21 THR A 34 5.654 -13.929 -2.776 1.00 1.38 H new ATOM 0 HG22 THR A 34 4.253 -14.947 -3.183 1.00 1.38 H new ATOM 0 HG23 THR A 34 4.332 -14.133 -1.603 1.00 1.38 H new ATOM 209 N THR A 35 4.466 -16.037 1.078 1.00 0.65 N ATOM 210 CA THR A 35 3.855 -15.722 2.380 1.00 0.59 C ATOM 211 C THR A 35 3.999 -14.257 2.810 1.00 0.58 C ATOM 212 O THR A 35 3.605 -13.909 3.924 1.00 0.58 O ATOM 213 CB THR A 35 4.447 -16.646 3.455 1.00 0.71 C ATOM 214 OG1 THR A 35 5.856 -16.649 3.349 1.00 0.85 O ATOM 215 CG2 THR A 35 3.957 -18.084 3.297 1.00 0.84 C ATOM 0 H THR A 35 5.483 -15.963 1.105 1.00 0.65 H new ATOM 0 HA THR A 35 2.784 -15.889 2.265 1.00 0.59 H new ATOM 0 HB THR A 35 4.125 -16.268 4.425 1.00 0.71 H new ATOM 0 HG1 THR A 35 6.234 -17.237 4.036 1.00 0.85 H new ATOM 0 HG21 THR A 35 4.398 -18.706 4.076 1.00 0.84 H new ATOM 0 HG22 THR A 35 2.871 -18.110 3.384 1.00 0.84 H new ATOM 0 HG23 THR A 35 4.252 -18.464 2.319 1.00 0.84 H new ATOM 223 N SER A 36 4.544 -13.386 1.955 1.00 0.67 N ATOM 224 CA SER A 36 4.707 -11.950 2.219 1.00 0.70 C ATOM 225 C SER A 36 4.382 -11.054 1.023 1.00 0.70 C ATOM 226 O SER A 36 4.318 -11.492 -0.126 1.00 1.00 O ATOM 227 CB SER A 36 6.117 -11.637 2.748 1.00 1.05 C ATOM 228 OG SER A 36 7.151 -12.241 1.982 1.00 2.62 O ATOM 0 H SER A 36 4.893 -13.665 1.038 1.00 0.67 H new ATOM 0 HA SER A 36 3.970 -11.716 2.987 1.00 0.70 H new ATOM 0 HB2 SER A 36 6.263 -10.557 2.756 1.00 1.05 H new ATOM 0 HB3 SER A 36 6.194 -11.976 3.781 1.00 1.05 H new ATOM 0 HG SER A 36 7.141 -11.875 1.073 1.00 2.62 H new ATOM 234 N VAL A 37 4.169 -9.774 1.331 1.00 0.53 N ATOM 235 CA VAL A 37 4.055 -8.657 0.388 1.00 0.50 C ATOM 236 C VAL A 37 4.804 -7.442 0.945 1.00 0.48 C ATOM 237 O VAL A 37 4.856 -7.238 2.162 1.00 0.45 O ATOM 238 CB VAL A 37 2.585 -8.352 0.053 1.00 0.43 C ATOM 239 CG1 VAL A 37 1.833 -7.832 1.268 1.00 0.35 C ATOM 240 CG2 VAL A 37 2.426 -7.361 -1.104 1.00 0.48 C ATOM 0 H VAL A 37 4.065 -9.470 2.299 1.00 0.53 H new ATOM 0 HA VAL A 37 4.521 -8.932 -0.558 1.00 0.50 H new ATOM 0 HB VAL A 37 2.155 -9.303 -0.261 1.00 0.43 H new ATOM 0 HG11 VAL A 37 0.798 -7.627 0.995 1.00 0.35 H new ATOM 0 HG12 VAL A 37 1.858 -8.581 2.059 1.00 0.35 H new ATOM 0 HG13 VAL A 37 2.303 -6.915 1.622 1.00 0.35 H new ATOM 0 HG21 VAL A 37 1.366 -7.187 -1.291 1.00 0.48 H new ATOM 0 HG22 VAL A 37 2.908 -6.418 -0.844 1.00 0.48 H new ATOM 0 HG23 VAL A 37 2.891 -7.771 -2.001 1.00 0.48 H new ATOM 250 N THR A 38 5.389 -6.639 0.057 1.00 0.59 N ATOM 251 CA THR A 38 6.293 -5.533 0.401 1.00 0.53 C ATOM 252 C THR A 38 5.796 -4.227 -0.217 1.00 0.42 C ATOM 253 O THR A 38 5.745 -4.099 -1.437 1.00 0.45 O ATOM 254 CB THR A 38 7.729 -5.818 -0.077 1.00 0.82 C ATOM 255 OG1 THR A 38 8.028 -7.199 -0.097 1.00 1.44 O ATOM 256 CG2 THR A 38 8.745 -5.151 0.847 1.00 0.92 C ATOM 0 H THR A 38 5.246 -6.739 -0.948 1.00 0.59 H new ATOM 0 HA THR A 38 6.302 -5.438 1.487 1.00 0.53 H new ATOM 0 HB THR A 38 7.791 -5.419 -1.089 1.00 0.82 H new ATOM 0 HG1 THR A 38 7.545 -7.628 -0.834 1.00 1.44 H new ATOM 0 HG21 THR A 38 9.754 -5.364 0.493 1.00 0.92 H new ATOM 0 HG22 THR A 38 8.581 -4.073 0.850 1.00 0.92 H new ATOM 0 HG23 THR A 38 8.626 -5.539 1.859 1.00 0.92 H new ATOM 264 N VAL A 39 5.386 -3.250 0.591 1.00 0.42 N ATOM 265 CA VAL A 39 4.802 -1.987 0.101 1.00 0.41 C ATOM 266 C VAL A 39 5.833 -0.857 0.111 1.00 0.45 C ATOM 267 O VAL A 39 6.513 -0.627 1.108 1.00 0.50 O ATOM 268 CB VAL A 39 3.476 -1.659 0.817 1.00 0.43 C ATOM 269 CG1 VAL A 39 3.565 -1.731 2.335 1.00 0.51 C ATOM 270 CG2 VAL A 39 2.906 -0.291 0.424 1.00 0.44 C ATOM 0 H VAL A 39 5.447 -3.305 1.608 1.00 0.42 H new ATOM 0 HA VAL A 39 4.528 -2.111 -0.947 1.00 0.41 H new ATOM 0 HB VAL A 39 2.799 -2.442 0.475 1.00 0.43 H new ATOM 0 HG11 VAL A 39 2.595 -1.488 2.768 1.00 0.51 H new ATOM 0 HG12 VAL A 39 3.855 -2.738 2.635 1.00 0.51 H new ATOM 0 HG13 VAL A 39 4.310 -1.018 2.690 1.00 0.51 H new ATOM 0 HG21 VAL A 39 1.973 -0.118 0.961 1.00 0.44 H new ATOM 0 HG22 VAL A 39 3.623 0.489 0.681 1.00 0.44 H new ATOM 0 HG23 VAL A 39 2.716 -0.270 -0.649 1.00 0.44 H new ATOM 280 N HIS A 40 5.946 -0.159 -1.020 1.00 0.45 N ATOM 281 CA HIS A 40 6.975 0.858 -1.287 1.00 0.52 C ATOM 282 C HIS A 40 6.343 2.170 -1.788 1.00 0.76 C ATOM 283 O HIS A 40 5.957 2.275 -2.952 1.00 1.78 O ATOM 284 CB HIS A 40 7.954 0.312 -2.341 1.00 0.54 C ATOM 285 CG HIS A 40 8.567 -1.027 -2.030 1.00 0.47 C ATOM 286 ND1 HIS A 40 9.724 -1.255 -1.323 1.00 0.56 N ATOM 287 CD2 HIS A 40 8.096 -2.245 -2.439 1.00 0.45 C ATOM 288 CE1 HIS A 40 9.941 -2.578 -1.278 1.00 0.59 C ATOM 289 NE2 HIS A 40 8.990 -3.221 -1.976 1.00 0.50 N ATOM 0 H HIS A 40 5.305 -0.287 -1.803 1.00 0.45 H new ATOM 0 HA HIS A 40 7.505 1.075 -0.360 1.00 0.52 H new ATOM 0 HB2 HIS A 40 7.430 0.239 -3.294 1.00 0.54 H new ATOM 0 HB3 HIS A 40 8.757 1.037 -2.474 1.00 0.54 H new ATOM 0 HD1 HIS A 40 10.317 -0.539 -0.904 1.00 0.56 H new ATOM 0 HD2 HIS A 40 7.199 -2.422 -3.014 1.00 0.45 H new ATOM 0 HE1 HIS A 40 10.758 -3.055 -0.758 1.00 0.59 H new ATOM 297 N LYS A 41 6.212 3.191 -0.930 1.00 0.44 N ATOM 298 CA LYS A 41 5.487 4.422 -1.293 1.00 0.47 C ATOM 299 C LYS A 41 6.302 5.292 -2.255 1.00 0.48 C ATOM 300 O LYS A 41 7.425 5.689 -1.937 1.00 0.54 O ATOM 301 CB LYS A 41 5.020 5.162 -0.022 1.00 0.58 C ATOM 302 CG LYS A 41 3.826 6.109 -0.285 1.00 0.90 C ATOM 303 CD LYS A 41 4.259 7.522 -0.700 1.00 0.87 C ATOM 304 CE LYS A 41 3.126 8.349 -1.323 1.00 0.71 C ATOM 305 NZ LYS A 41 2.335 9.090 -0.314 1.00 1.60 N ATOM 0 H LYS A 41 6.595 3.192 0.015 1.00 0.44 H new ATOM 0 HA LYS A 41 4.586 4.157 -1.845 1.00 0.47 H new ATOM 0 HB2 LYS A 41 4.738 4.431 0.736 1.00 0.58 H new ATOM 0 HB3 LYS A 41 5.852 5.738 0.384 1.00 0.58 H new ATOM 0 HG2 LYS A 41 3.198 5.683 -1.067 1.00 0.90 H new ATOM 0 HG3 LYS A 41 3.215 6.172 0.615 1.00 0.90 H new ATOM 0 HD2 LYS A 41 4.644 8.047 0.174 1.00 0.87 H new ATOM 0 HD3 LYS A 41 5.079 7.448 -1.414 1.00 0.87 H new ATOM 0 HE2 LYS A 41 3.549 9.056 -2.037 1.00 0.71 H new ATOM 0 HE3 LYS A 41 2.465 7.687 -1.882 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 1.524 9.548 -0.777 1.00 1.60 H new ATOM 0 HZ2 LYS A 41 1.991 8.429 0.411 1.00 1.60 H new ATOM 0 HZ3 LYS A 41 2.933 9.814 0.133 1.00 1.60 H new ATOM 319 N LEU A 42 5.717 5.606 -3.415 1.00 0.45 N ATOM 320 CA LEU A 42 6.330 6.403 -4.479 1.00 0.46 C ATOM 321 C LEU A 42 5.751 7.822 -4.564 1.00 0.49 C ATOM 322 O LEU A 42 4.618 8.090 -4.158 1.00 0.56 O ATOM 323 CB LEU A 42 6.214 5.669 -5.834 1.00 0.45 C ATOM 324 CG LEU A 42 6.924 4.312 -5.949 1.00 0.42 C ATOM 325 CD1 LEU A 42 7.034 3.916 -7.424 1.00 0.46 C ATOM 326 CD2 LEU A 42 8.339 4.317 -5.385 1.00 0.44 C ATOM 0 H LEU A 42 4.771 5.301 -3.646 1.00 0.45 H new ATOM 0 HA LEU A 42 7.385 6.518 -4.230 1.00 0.46 H new ATOM 0 HB2 LEU A 42 5.156 5.518 -6.049 1.00 0.45 H new ATOM 0 HB3 LEU A 42 6.607 6.325 -6.611 1.00 0.45 H new ATOM 0 HG LEU A 42 6.323 3.611 -5.370 1.00 0.42 H new ATOM 0 HD11 LEU A 42 7.538 2.953 -7.506 1.00 0.46 H new ATOM 0 HD12 LEU A 42 6.036 3.841 -7.856 1.00 0.46 H new ATOM 0 HD13 LEU A 42 7.606 4.672 -7.962 1.00 0.46 H new ATOM 0 HD21 LEU A 42 8.780 3.327 -5.500 1.00 0.44 H new ATOM 0 HD22 LEU A 42 8.943 5.048 -5.923 1.00 0.44 H new ATOM 0 HD23 LEU A 42 8.308 4.580 -4.328 1.00 0.44 H new ATOM 338 N LEU A 43 6.545 8.730 -5.130 1.00 0.48 N ATOM 339 CA LEU A 43 6.201 10.123 -5.418 1.00 0.57 C ATOM 340 C LEU A 43 6.853 10.561 -6.741 1.00 0.55 C ATOM 341 O LEU A 43 7.822 9.950 -7.200 1.00 0.56 O ATOM 342 CB LEU A 43 6.684 11.012 -4.246 1.00 0.73 C ATOM 343 CG LEU A 43 5.656 11.955 -3.603 1.00 0.85 C ATOM 344 CD1 LEU A 43 4.950 12.878 -4.591 1.00 1.68 C ATOM 345 CD2 LEU A 43 4.607 11.179 -2.816 1.00 1.20 C ATOM 0 H LEU A 43 7.497 8.502 -5.416 1.00 0.48 H new ATOM 0 HA LEU A 43 5.121 10.226 -5.522 1.00 0.57 H new ATOM 0 HB2 LEU A 43 7.075 10.358 -3.466 1.00 0.73 H new ATOM 0 HB3 LEU A 43 7.518 11.616 -4.603 1.00 0.73 H new ATOM 0 HG LEU A 43 6.242 12.585 -2.934 1.00 0.85 H new ATOM 0 HD11 LEU A 43 4.241 13.510 -4.056 1.00 1.68 H new ATOM 0 HD12 LEU A 43 5.687 13.504 -5.094 1.00 1.68 H new ATOM 0 HD13 LEU A 43 4.417 12.280 -5.330 1.00 1.68 H new ATOM 0 HD21 LEU A 43 3.895 11.876 -2.374 1.00 1.20 H new ATOM 0 HD22 LEU A 43 4.081 10.498 -3.485 1.00 1.20 H new ATOM 0 HD23 LEU A 43 5.094 10.608 -2.026 1.00 1.20 H new ATOM 357 N ALA A 44 6.357 11.647 -7.333 1.00 0.58 N ATOM 358 CA ALA A 44 6.996 12.317 -8.464 1.00 0.61 C ATOM 359 C ALA A 44 7.810 13.546 -8.017 1.00 0.69 C ATOM 360 O ALA A 44 7.605 14.083 -6.922 1.00 0.80 O ATOM 361 CB ALA A 44 5.923 12.681 -9.488 1.00 0.61 C ATOM 0 H ALA A 44 5.488 12.092 -7.036 1.00 0.58 H new ATOM 0 HA ALA A 44 7.714 11.639 -8.926 1.00 0.61 H new ATOM 0 HB1 ALA A 44 6.386 13.182 -10.338 1.00 0.61 H new ATOM 0 HB2 ALA A 44 5.423 11.774 -9.829 1.00 0.61 H new ATOM 0 HB3 ALA A 44 5.192 13.347 -9.028 1.00 0.61 H new ATOM 367 N THR A 45 8.718 14.013 -8.878 1.00 0.72 N ATOM 368 CA THR A 45 9.528 15.220 -8.631 1.00 0.78 C ATOM 369 C THR A 45 8.834 16.518 -9.075 1.00 0.85 C ATOM 370 O THR A 45 9.069 17.564 -8.464 1.00 0.96 O ATOM 371 CB THR A 45 10.921 15.091 -9.266 1.00 0.78 C ATOM 372 OG1 THR A 45 10.810 14.855 -10.651 1.00 0.79 O ATOM 373 CG2 THR A 45 11.722 13.931 -8.665 1.00 0.79 C ATOM 0 H THR A 45 8.917 13.565 -9.773 1.00 0.72 H new ATOM 0 HA THR A 45 9.645 15.292 -7.550 1.00 0.78 H new ATOM 0 HB THR A 45 11.438 16.030 -9.068 1.00 0.78 H new ATOM 0 HG1 THR A 45 11.705 14.777 -11.042 1.00 0.79 H new ATOM 0 HG21 THR A 45 12.700 13.877 -9.144 1.00 0.79 H new ATOM 0 HG22 THR A 45 11.850 14.093 -7.595 1.00 0.79 H new ATOM 0 HG23 THR A 45 11.186 12.996 -8.828 1.00 0.79 H new ATOM 381 N ASP A 46 7.937 16.476 -10.073 1.00 0.87 N ATOM 382 CA ASP A 46 7.115 17.622 -10.506 1.00 1.02 C ATOM 383 C ASP A 46 5.708 17.204 -11.009 1.00 0.95 C ATOM 384 O ASP A 46 5.247 17.619 -12.079 1.00 1.13 O ATOM 385 CB ASP A 46 7.902 18.480 -11.514 1.00 1.22 C ATOM 386 CG ASP A 46 7.467 19.945 -11.436 1.00 1.78 C ATOM 387 OD1 ASP A 46 8.015 20.683 -10.582 1.00 3.13 O ATOM 388 OD2 ASP A 46 6.576 20.379 -12.203 1.00 1.85 O ATOM 0 H ASP A 46 7.758 15.629 -10.613 1.00 0.87 H new ATOM 0 HA ASP A 46 6.910 18.244 -9.635 1.00 1.02 H new ATOM 0 HB2 ASP A 46 8.970 18.402 -11.310 1.00 1.22 H new ATOM 0 HB3 ASP A 46 7.742 18.102 -12.524 1.00 1.22 H new ATOM 393 N GLY A 47 5.031 16.337 -10.244 1.00 0.90 N ATOM 394 CA GLY A 47 3.647 15.886 -10.490 1.00 0.88 C ATOM 395 C GLY A 47 3.478 14.753 -11.517 1.00 0.82 C ATOM 396 O GLY A 47 2.354 14.378 -11.858 1.00 0.94 O ATOM 0 H GLY A 47 5.440 15.915 -9.411 1.00 0.90 H new ATOM 0 HA2 GLY A 47 3.220 15.557 -9.543 1.00 0.88 H new ATOM 0 HA3 GLY A 47 3.061 16.742 -10.824 1.00 0.88 H new ATOM 400 N ASP A 48 4.587 14.176 -11.985 1.00 0.70 N ATOM 401 CA ASP A 48 4.707 13.164 -13.051 1.00 0.67 C ATOM 402 C ASP A 48 4.105 11.776 -12.730 1.00 0.65 C ATOM 403 O ASP A 48 4.449 10.780 -13.371 1.00 0.64 O ATOM 404 CB ASP A 48 6.194 13.013 -13.434 1.00 0.65 C ATOM 405 CG ASP A 48 6.926 14.356 -13.503 1.00 0.83 C ATOM 406 OD1 ASP A 48 7.418 14.806 -12.443 1.00 1.88 O ATOM 407 OD2 ASP A 48 7.001 14.964 -14.600 1.00 1.62 O ATOM 0 H ASP A 48 5.500 14.420 -11.601 1.00 0.70 H new ATOM 0 HA ASP A 48 4.108 13.540 -13.880 1.00 0.67 H new ATOM 0 HB2 ASP A 48 6.689 12.371 -12.705 1.00 0.65 H new ATOM 0 HB3 ASP A 48 6.267 12.514 -14.400 1.00 0.65 H new ATOM 412 N MET A 49 3.213 11.671 -11.741 1.00 0.68 N ATOM 413 CA MET A 49 2.621 10.397 -11.313 1.00 0.67 C ATOM 414 C MET A 49 1.853 9.702 -12.445 1.00 0.68 C ATOM 415 O MET A 49 1.869 8.478 -12.515 1.00 0.65 O ATOM 416 CB MET A 49 1.698 10.613 -10.106 1.00 0.69 C ATOM 417 CG MET A 49 2.396 11.116 -8.835 1.00 0.68 C ATOM 418 SD MET A 49 2.955 9.867 -7.631 1.00 0.66 S ATOM 419 CE MET A 49 4.225 8.974 -8.563 1.00 0.65 C ATOM 0 H MET A 49 2.877 12.474 -11.209 1.00 0.68 H new ATOM 0 HA MET A 49 3.444 9.743 -11.027 1.00 0.67 H new ATOM 0 HB2 MET A 49 0.924 11.328 -10.384 1.00 0.69 H new ATOM 0 HB3 MET A 49 1.197 9.672 -9.879 1.00 0.69 H new ATOM 0 HG2 MET A 49 3.263 11.703 -9.137 1.00 0.68 H new ATOM 0 HG3 MET A 49 1.714 11.795 -8.323 1.00 0.68 H new ATOM 0 HE1 MET A 49 4.825 8.374 -7.878 1.00 0.65 H new ATOM 0 HE2 MET A 49 3.748 8.322 -9.295 1.00 0.65 H new ATOM 0 HE3 MET A 49 4.868 9.688 -9.078 1.00 0.65 H new ATOM 429 N ASP A 50 1.255 10.466 -13.363 1.00 0.77 N ATOM 430 CA ASP A 50 0.525 9.980 -14.539 1.00 0.80 C ATOM 431 C ASP A 50 1.413 9.152 -15.484 1.00 0.77 C ATOM 432 O ASP A 50 1.080 8.009 -15.820 1.00 0.82 O ATOM 433 CB ASP A 50 -0.042 11.181 -15.317 1.00 0.89 C ATOM 434 CG ASP A 50 -0.984 12.066 -14.501 1.00 1.20 C ATOM 435 OD1 ASP A 50 -0.549 12.658 -13.483 1.00 2.44 O ATOM 436 OD2 ASP A 50 -2.162 12.218 -14.895 1.00 1.63 O ATOM 0 H ASP A 50 1.266 11.484 -13.305 1.00 0.77 H new ATOM 0 HA ASP A 50 -0.274 9.332 -14.179 1.00 0.80 H new ATOM 0 HB2 ASP A 50 0.787 11.789 -15.680 1.00 0.89 H new ATOM 0 HB3 ASP A 50 -0.575 10.813 -16.194 1.00 0.89 H new ATOM 441 N LYS A 51 2.568 9.698 -15.901 1.00 0.73 N ATOM 442 CA LYS A 51 3.499 8.997 -16.789 1.00 0.69 C ATOM 443 C LYS A 51 4.216 7.856 -16.065 1.00 0.62 C ATOM 444 O LYS A 51 4.302 6.774 -16.637 1.00 0.63 O ATOM 445 CB LYS A 51 4.397 9.979 -17.544 1.00 0.69 C ATOM 446 CG LYS A 51 5.424 10.716 -16.681 1.00 0.59 C ATOM 447 CD LYS A 51 6.031 11.909 -17.426 1.00 0.69 C ATOM 448 CE LYS A 51 6.724 11.456 -18.714 1.00 1.74 C ATOM 449 NZ LYS A 51 7.432 12.564 -19.393 1.00 2.07 N ATOM 0 H LYS A 51 2.877 10.632 -15.632 1.00 0.73 H new ATOM 0 HA LYS A 51 2.935 8.495 -17.575 1.00 0.69 H new ATOM 0 HB2 LYS A 51 4.926 9.435 -18.326 1.00 0.69 H new ATOM 0 HB3 LYS A 51 3.766 10.717 -18.040 1.00 0.69 H new ATOM 0 HG2 LYS A 51 4.948 11.063 -15.764 1.00 0.59 H new ATOM 0 HG3 LYS A 51 6.216 10.027 -16.388 1.00 0.59 H new ATOM 0 HD2 LYS A 51 5.249 12.630 -17.664 1.00 0.69 H new ATOM 0 HD3 LYS A 51 6.749 12.418 -16.782 1.00 0.69 H new ATOM 0 HE2 LYS A 51 7.435 10.663 -18.481 1.00 1.74 H new ATOM 0 HE3 LYS A 51 5.983 11.032 -19.392 1.00 1.74 H new ATOM 0 HZ1 LYS A 51 7.885 12.208 -20.259 1.00 2.07 H new ATOM 0 HZ2 LYS A 51 6.752 13.311 -19.640 1.00 2.07 H new ATOM 0 HZ3 LYS A 51 8.158 12.953 -18.758 1.00 2.07 H new ATOM 463 N ILE A 52 4.619 8.034 -14.798 1.00 0.58 N ATOM 464 CA ILE A 52 5.085 6.946 -13.925 1.00 0.54 C ATOM 465 C ILE A 52 4.062 5.797 -13.910 1.00 0.56 C ATOM 466 O ILE A 52 4.413 4.678 -14.263 1.00 0.53 O ATOM 467 CB ILE A 52 5.375 7.480 -12.501 1.00 0.53 C ATOM 468 CG1 ILE A 52 6.557 8.477 -12.549 1.00 0.55 C ATOM 469 CG2 ILE A 52 5.687 6.325 -11.524 1.00 0.53 C ATOM 470 CD1 ILE A 52 6.831 9.217 -11.245 1.00 0.56 C ATOM 0 H ILE A 52 4.631 8.948 -14.346 1.00 0.58 H new ATOM 0 HA ILE A 52 6.020 6.548 -14.320 1.00 0.54 H new ATOM 0 HB ILE A 52 4.485 7.993 -12.137 1.00 0.53 H new ATOM 0 HG12 ILE A 52 7.458 7.935 -12.838 1.00 0.55 H new ATOM 0 HG13 ILE A 52 6.362 9.211 -13.331 1.00 0.55 H new ATOM 0 HG21 ILE A 52 5.886 6.731 -10.532 1.00 0.53 H new ATOM 0 HG22 ILE A 52 4.833 5.650 -11.474 1.00 0.53 H new ATOM 0 HG23 ILE A 52 6.562 5.778 -11.875 1.00 0.53 H new ATOM 0 HD11 ILE A 52 7.677 9.891 -11.380 1.00 0.56 H new ATOM 0 HD12 ILE A 52 5.950 9.792 -10.961 1.00 0.56 H new ATOM 0 HD13 ILE A 52 7.063 8.497 -10.460 1.00 0.56 H new ATOM 482 N ALA A 53 2.791 6.048 -13.583 1.00 0.68 N ATOM 483 CA ALA A 53 1.749 5.019 -13.516 1.00 0.76 C ATOM 484 C ALA A 53 1.514 4.306 -14.863 1.00 0.78 C ATOM 485 O ALA A 53 1.257 3.098 -14.871 1.00 0.79 O ATOM 486 CB ALA A 53 0.466 5.670 -12.991 1.00 0.95 C ATOM 0 H ALA A 53 2.453 6.983 -13.355 1.00 0.68 H new ATOM 0 HA ALA A 53 2.079 4.234 -12.835 1.00 0.76 H new ATOM 0 HB1 ALA A 53 -0.324 4.922 -12.933 1.00 0.95 H new ATOM 0 HB2 ALA A 53 0.648 6.084 -11.999 1.00 0.95 H new ATOM 0 HB3 ALA A 53 0.160 6.469 -13.667 1.00 0.95 H new ATOM 492 N ASN A 54 1.696 5.012 -15.987 1.00 0.84 N ATOM 493 CA ASN A 54 1.673 4.434 -17.336 1.00 0.93 C ATOM 494 C ASN A 54 2.880 3.526 -17.644 1.00 0.88 C ATOM 495 O ASN A 54 2.758 2.611 -18.463 1.00 1.03 O ATOM 496 CB ASN A 54 1.562 5.547 -18.382 1.00 1.01 C ATOM 497 CG ASN A 54 0.121 5.920 -18.676 1.00 1.08 C ATOM 498 OD1 ASN A 54 -0.451 5.480 -19.663 1.00 1.16 O ATOM 499 ND2 ASN A 54 -0.525 6.705 -17.850 1.00 1.08 N ATOM 0 H ASN A 54 1.866 6.018 -15.984 1.00 0.84 H new ATOM 0 HA ASN A 54 0.794 3.791 -17.380 1.00 0.93 H new ATOM 0 HB2 ASN A 54 2.098 6.428 -18.030 1.00 1.01 H new ATOM 0 HB3 ASN A 54 2.047 5.226 -19.304 1.00 1.01 H new ATOM 0 HD21 ASN A 54 -1.499 6.946 -18.032 1.00 1.08 H new ATOM 0 HD22 ASN A 54 -0.054 7.075 -17.025 1.00 1.08 H new ATOM 506 N GLU A 55 4.033 3.749 -17.004 1.00 0.78 N ATOM 507 CA GLU A 55 5.165 2.814 -17.039 1.00 0.85 C ATOM 508 C GLU A 55 4.893 1.568 -16.173 1.00 0.92 C ATOM 509 O GLU A 55 5.398 0.482 -16.465 1.00 1.17 O ATOM 510 CB GLU A 55 6.462 3.476 -16.563 1.00 0.80 C ATOM 511 CG GLU A 55 6.968 4.700 -17.338 1.00 0.77 C ATOM 512 CD GLU A 55 6.938 4.619 -18.871 1.00 1.03 C ATOM 513 OE1 GLU A 55 7.055 3.525 -19.478 1.00 1.75 O ATOM 514 OE2 GLU A 55 6.827 5.697 -19.504 1.00 2.13 O ATOM 0 H GLU A 55 4.209 4.584 -16.446 1.00 0.78 H new ATOM 0 HA GLU A 55 5.282 2.512 -18.080 1.00 0.85 H new ATOM 0 HB2 GLU A 55 6.325 3.772 -15.523 1.00 0.80 H new ATOM 0 HB3 GLU A 55 7.248 2.721 -16.579 1.00 0.80 H new ATOM 0 HG2 GLU A 55 6.375 5.562 -17.033 1.00 0.77 H new ATOM 0 HG3 GLU A 55 7.995 4.895 -17.030 1.00 0.77 H new ATOM 521 N LEU A 56 4.083 1.692 -15.114 1.00 0.80 N ATOM 522 CA LEU A 56 3.789 0.575 -14.209 1.00 0.82 C ATOM 523 C LEU A 56 2.639 -0.317 -14.699 1.00 0.95 C ATOM 524 O LEU A 56 2.683 -1.534 -14.516 1.00 1.06 O ATOM 525 CB LEU A 56 3.524 1.073 -12.778 1.00 0.74 C ATOM 526 CG LEU A 56 4.534 2.064 -12.172 1.00 0.70 C ATOM 527 CD1 LEU A 56 4.299 2.149 -10.673 1.00 0.65 C ATOM 528 CD2 LEU A 56 6.010 1.745 -12.411 1.00 0.69 C ATOM 0 H LEU A 56 3.616 2.563 -14.862 1.00 0.80 H new ATOM 0 HA LEU A 56 4.682 -0.050 -14.202 1.00 0.82 H new ATOM 0 HB2 LEU A 56 2.541 1.543 -12.762 1.00 0.74 H new ATOM 0 HB3 LEU A 56 3.472 0.203 -12.123 1.00 0.74 H new ATOM 0 HG LEU A 56 4.351 3.006 -12.688 1.00 0.70 H new ATOM 0 HD11 LEU A 56 5.009 2.849 -10.232 1.00 0.65 H new ATOM 0 HD12 LEU A 56 3.283 2.495 -10.483 1.00 0.65 H new ATOM 0 HD13 LEU A 56 4.436 1.164 -10.227 1.00 0.65 H new ATOM 0 HD21 LEU A 56 6.628 2.509 -11.940 1.00 0.69 H new ATOM 0 HD22 LEU A 56 6.246 0.771 -11.981 1.00 0.69 H new ATOM 0 HD23 LEU A 56 6.209 1.727 -13.482 1.00 0.69 H new ATOM 540 N GLU A 57 1.623 0.260 -15.348 1.00 0.96 N ATOM 541 CA GLU A 57 0.473 -0.507 -15.863 1.00 1.09 C ATOM 542 C GLU A 57 0.824 -1.386 -17.079 1.00 1.18 C ATOM 543 O GLU A 57 0.161 -2.398 -17.317 1.00 1.28 O ATOM 544 CB GLU A 57 -0.736 0.407 -16.147 1.00 1.16 C ATOM 545 CG GLU A 57 -0.661 1.222 -17.443 1.00 1.22 C ATOM 546 CD GLU A 57 -1.991 1.940 -17.703 1.00 1.95 C ATOM 547 OE1 GLU A 57 -2.968 1.237 -18.057 1.00 2.45 O ATOM 548 OE2 GLU A 57 -2.102 3.185 -17.580 1.00 3.16 O ATOM 0 H GLU A 57 1.569 1.262 -15.532 1.00 0.96 H new ATOM 0 HA GLU A 57 0.189 -1.197 -15.069 1.00 1.09 H new ATOM 0 HB2 GLU A 57 -1.635 -0.209 -16.178 1.00 1.16 H new ATOM 0 HB3 GLU A 57 -0.851 1.097 -15.311 1.00 1.16 H new ATOM 0 HG2 GLU A 57 0.146 1.952 -17.375 1.00 1.22 H new ATOM 0 HG3 GLU A 57 -0.426 0.565 -18.280 1.00 1.22 H new ATOM 555 N THR A 58 1.861 -1.015 -17.841 1.00 1.19 N ATOM 556 CA THR A 58 2.354 -1.780 -19.005 1.00 1.35 C ATOM 557 C THR A 58 3.331 -2.914 -18.631 1.00 1.24 C ATOM 558 O THR A 58 3.442 -3.900 -19.365 1.00 1.39 O ATOM 559 CB THR A 58 2.948 -0.807 -20.040 1.00 1.59 C ATOM 560 OG1 THR A 58 3.172 -1.442 -21.276 1.00 1.80 O ATOM 561 CG2 THR A 58 4.263 -0.178 -19.591 1.00 1.56 C ATOM 0 H THR A 58 2.393 -0.162 -17.667 1.00 1.19 H new ATOM 0 HA THR A 58 1.503 -2.295 -19.450 1.00 1.35 H new ATOM 0 HB THR A 58 2.202 -0.019 -20.144 1.00 1.59 H new ATOM 0 HG1 THR A 58 3.548 -0.798 -21.912 1.00 1.80 H new ATOM 0 HG21 THR A 58 4.627 0.497 -20.366 1.00 1.56 H new ATOM 0 HG22 THR A 58 4.103 0.381 -18.669 1.00 1.56 H new ATOM 0 HG23 THR A 58 5.000 -0.962 -19.417 1.00 1.56 H new ATOM 569 N GLY A 59 4.013 -2.819 -17.482 1.00 1.08 N ATOM 570 CA GLY A 59 4.898 -3.869 -16.951 1.00 1.09 C ATOM 571 C GLY A 59 4.137 -5.016 -16.272 1.00 1.06 C ATOM 572 O GLY A 59 2.929 -4.923 -16.063 1.00 1.09 O ATOM 0 H GLY A 59 3.965 -1.995 -16.883 1.00 1.08 H new ATOM 0 HA2 GLY A 59 5.500 -4.273 -17.765 1.00 1.09 H new ATOM 0 HA3 GLY A 59 5.588 -3.425 -16.234 1.00 1.09 H new ATOM 576 N ASN A 60 4.818 -6.107 -15.901 1.00 1.14 N ATOM 577 CA ASN A 60 4.247 -7.203 -15.090 1.00 1.15 C ATOM 578 C ASN A 60 4.325 -6.937 -13.570 1.00 1.08 C ATOM 579 O ASN A 60 4.566 -7.855 -12.782 1.00 1.21 O ATOM 580 CB ASN A 60 4.862 -8.573 -15.439 1.00 1.29 C ATOM 581 CG ASN A 60 4.720 -9.035 -16.878 1.00 1.50 C ATOM 582 OD1 ASN A 60 4.224 -8.346 -17.760 1.00 1.86 O ATOM 583 ND2 ASN A 60 5.118 -10.255 -17.147 1.00 1.79 N ATOM 0 H ASN A 60 5.794 -6.261 -16.156 1.00 1.14 H new ATOM 0 HA ASN A 60 3.190 -7.235 -15.354 1.00 1.15 H new ATOM 0 HB2 ASN A 60 5.924 -8.542 -15.194 1.00 1.29 H new ATOM 0 HB3 ASN A 60 4.408 -9.325 -14.793 1.00 1.29 H new ATOM 0 HD21 ASN A 60 5.014 -10.629 -18.090 1.00 1.79 H new ATOM 0 HD22 ASN A 60 5.531 -10.830 -16.413 1.00 1.79 H new ATOM 590 N TYR A 61 4.200 -5.686 -13.126 1.00 0.96 N ATOM 591 CA TYR A 61 4.460 -5.318 -11.728 1.00 0.91 C ATOM 592 C TYR A 61 3.309 -5.699 -10.769 1.00 0.97 C ATOM 593 O TYR A 61 3.378 -5.434 -9.565 1.00 1.02 O ATOM 594 CB TYR A 61 4.889 -3.849 -11.633 1.00 0.80 C ATOM 595 CG TYR A 61 6.013 -3.392 -12.562 1.00 0.77 C ATOM 596 CD1 TYR A 61 7.048 -4.250 -13.003 1.00 1.79 C ATOM 597 CD2 TYR A 61 6.021 -2.047 -12.962 1.00 1.94 C ATOM 598 CE1 TYR A 61 8.063 -3.759 -13.855 1.00 1.71 C ATOM 599 CE2 TYR A 61 7.049 -1.544 -13.781 1.00 2.08 C ATOM 600 CZ TYR A 61 8.073 -2.397 -14.233 1.00 0.91 C ATOM 601 OH TYR A 61 9.073 -1.877 -14.995 1.00 1.08 O ATOM 0 H TYR A 61 3.918 -4.903 -13.717 1.00 0.96 H new ATOM 0 HA TYR A 61 5.298 -5.920 -11.376 1.00 0.91 H new ATOM 0 HB2 TYR A 61 4.015 -3.228 -11.828 1.00 0.80 H new ATOM 0 HB3 TYR A 61 5.197 -3.652 -10.606 1.00 0.80 H new ATOM 0 HD1 TYR A 61 7.062 -5.283 -12.688 1.00 1.79 H new ATOM 0 HD2 TYR A 61 5.228 -1.389 -12.637 1.00 1.94 H new ATOM 0 HE1 TYR A 61 8.832 -4.425 -14.218 1.00 1.71 H new ATOM 0 HE2 TYR A 61 7.052 -0.502 -14.063 1.00 2.08 H new ATOM 0 HH TYR A 61 8.904 -0.924 -15.151 1.00 1.08 H new ATOM 611 N ALA A 62 2.274 -6.388 -11.266 1.00 1.06 N ATOM 612 CA ALA A 62 1.240 -7.016 -10.448 1.00 1.18 C ATOM 613 C ALA A 62 1.750 -8.247 -9.665 1.00 1.31 C ATOM 614 O ALA A 62 1.026 -8.737 -8.795 1.00 1.60 O ATOM 615 CB ALA A 62 0.045 -7.362 -11.341 1.00 1.21 C ATOM 0 H ALA A 62 2.133 -6.525 -12.267 1.00 1.06 H new ATOM 0 HA ALA A 62 0.930 -6.304 -9.683 1.00 1.18 H new ATOM 0 HB1 ALA A 62 -0.734 -7.832 -10.741 1.00 1.21 H new ATOM 0 HB2 ALA A 62 -0.346 -6.451 -11.794 1.00 1.21 H new ATOM 0 HB3 ALA A 62 0.363 -8.050 -12.125 1.00 1.21 H new ATOM 621 N GLY A 63 2.960 -8.761 -9.946 1.00 1.17 N ATOM 622 CA GLY A 63 3.622 -9.774 -9.105 1.00 1.16 C ATOM 623 C GLY A 63 5.014 -9.343 -8.631 1.00 1.04 C ATOM 624 O GLY A 63 5.217 -8.996 -7.468 1.00 0.97 O ATOM 0 H GLY A 63 3.507 -8.486 -10.762 1.00 1.17 H new ATOM 0 HA2 GLY A 63 2.997 -9.982 -8.237 1.00 1.16 H new ATOM 0 HA3 GLY A 63 3.707 -10.704 -9.666 1.00 1.16 H new ATOM 628 N ASN A 64 5.974 -9.371 -9.556 1.00 1.08 N ATOM 629 CA ASN A 64 7.376 -8.993 -9.332 1.00 0.98 C ATOM 630 C ASN A 64 7.562 -7.478 -9.079 1.00 0.81 C ATOM 631 O ASN A 64 6.707 -6.671 -9.447 1.00 0.85 O ATOM 632 CB ASN A 64 8.245 -9.507 -10.495 1.00 1.14 C ATOM 633 CG ASN A 64 7.813 -8.912 -11.815 1.00 1.24 C ATOM 634 OD1 ASN A 64 8.299 -7.891 -12.265 1.00 1.96 O ATOM 635 ND2 ASN A 64 6.839 -9.502 -12.461 1.00 1.61 N ATOM 0 H ASN A 64 5.794 -9.667 -10.515 1.00 1.08 H new ATOM 0 HA ASN A 64 7.710 -9.473 -8.412 1.00 0.98 H new ATOM 0 HB2 ASN A 64 9.290 -9.258 -10.307 1.00 1.14 H new ATOM 0 HB3 ASN A 64 8.180 -10.594 -10.546 1.00 1.14 H new ATOM 0 HD21 ASN A 64 6.493 -9.106 -13.335 1.00 1.61 H new ATOM 0 HD22 ASN A 64 6.426 -10.358 -12.091 1.00 1.61 H new ATOM 642 N LYS A 65 8.686 -7.084 -8.458 1.00 0.70 N ATOM 643 CA LYS A 65 9.034 -5.677 -8.155 1.00 0.63 C ATOM 644 C LYS A 65 9.165 -4.802 -9.411 1.00 0.63 C ATOM 645 O LYS A 65 9.499 -5.309 -10.485 1.00 0.69 O ATOM 646 CB LYS A 65 10.313 -5.616 -7.294 1.00 0.66 C ATOM 647 CG LYS A 65 11.584 -6.102 -8.012 1.00 1.30 C ATOM 648 CD LYS A 65 12.803 -6.179 -7.081 1.00 1.47 C ATOM 649 CE LYS A 65 13.343 -4.797 -6.687 1.00 1.36 C ATOM 650 NZ LYS A 65 14.499 -4.920 -5.768 1.00 2.27 N ATOM 0 H LYS A 65 9.396 -7.745 -8.144 1.00 0.70 H new ATOM 0 HA LYS A 65 8.203 -5.259 -7.587 1.00 0.63 H new ATOM 0 HB2 LYS A 65 10.466 -4.588 -6.965 1.00 0.66 H new ATOM 0 HB3 LYS A 65 10.163 -6.219 -6.398 1.00 0.66 H new ATOM 0 HG2 LYS A 65 11.399 -7.086 -8.442 1.00 1.30 H new ATOM 0 HG3 LYS A 65 11.807 -5.429 -8.840 1.00 1.30 H new ATOM 0 HD2 LYS A 65 12.531 -6.728 -6.179 1.00 1.47 H new ATOM 0 HD3 LYS A 65 13.594 -6.746 -7.572 1.00 1.47 H new ATOM 0 HE2 LYS A 65 13.642 -4.251 -7.582 1.00 1.36 H new ATOM 0 HE3 LYS A 65 12.554 -4.217 -6.208 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 14.845 -3.972 -5.517 1.00 2.27 H new ATOM 0 HZ2 LYS A 65 14.205 -5.421 -4.905 1.00 2.27 H new ATOM 0 HZ3 LYS A 65 15.259 -5.453 -6.236 1.00 2.27 H new ATOM 664 N VAL A 66 8.986 -3.481 -9.270 1.00 0.63 N ATOM 665 CA VAL A 66 9.246 -2.522 -10.363 1.00 0.61 C ATOM 666 C VAL A 66 10.693 -2.679 -10.832 1.00 0.68 C ATOM 667 O VAL A 66 11.620 -2.462 -10.052 1.00 0.77 O ATOM 668 CB VAL A 66 8.982 -1.056 -9.958 1.00 0.55 C ATOM 669 CG1 VAL A 66 9.489 -0.053 -11.007 1.00 0.56 C ATOM 670 CG2 VAL A 66 7.481 -0.808 -9.830 1.00 0.53 C ATOM 0 H VAL A 66 8.661 -3.047 -8.406 1.00 0.63 H new ATOM 0 HA VAL A 66 8.551 -2.752 -11.170 1.00 0.61 H new ATOM 0 HB VAL A 66 9.510 -0.908 -9.016 1.00 0.55 H new ATOM 0 HG11 VAL A 66 9.278 0.962 -10.672 1.00 0.56 H new ATOM 0 HG12 VAL A 66 10.564 -0.176 -11.138 1.00 0.56 H new ATOM 0 HG13 VAL A 66 8.985 -0.234 -11.957 1.00 0.56 H new ATOM 0 HG21 VAL A 66 7.307 0.229 -9.544 1.00 0.53 H new ATOM 0 HG22 VAL A 66 6.997 -1.007 -10.786 1.00 0.53 H new ATOM 0 HG23 VAL A 66 7.067 -1.469 -9.069 1.00 0.53 H new ATOM 680 N GLY A 67 10.882 -3.057 -12.099 1.00 0.73 N ATOM 681 CA GLY A 67 12.208 -3.306 -12.669 1.00 0.81 C ATOM 682 C GLY A 67 13.033 -2.028 -12.839 1.00 0.78 C ATOM 683 O GLY A 67 14.221 -2.011 -12.503 1.00 0.88 O ATOM 0 H GLY A 67 10.118 -3.199 -12.760 1.00 0.73 H new ATOM 0 HA2 GLY A 67 12.750 -3.999 -12.026 1.00 0.81 H new ATOM 0 HA3 GLY A 67 12.096 -3.792 -13.638 1.00 0.81 H new ATOM 687 N VAL A 68 12.398 -0.944 -13.300 1.00 0.82 N ATOM 688 CA VAL A 68 13.052 0.344 -13.578 1.00 0.96 C ATOM 689 C VAL A 68 12.190 1.515 -13.103 1.00 0.75 C ATOM 690 O VAL A 68 11.048 1.664 -13.536 1.00 0.87 O ATOM 691 CB VAL A 68 13.355 0.514 -15.086 1.00 1.47 C ATOM 692 CG1 VAL A 68 14.245 1.742 -15.321 1.00 1.65 C ATOM 693 CG2 VAL A 68 14.069 -0.700 -15.693 1.00 2.20 C ATOM 0 H VAL A 68 11.397 -0.935 -13.494 1.00 0.82 H new ATOM 0 HA VAL A 68 13.993 0.344 -13.028 1.00 0.96 H new ATOM 0 HB VAL A 68 12.386 0.630 -15.571 1.00 1.47 H new ATOM 0 HG11 VAL A 68 14.448 1.846 -16.387 1.00 1.65 H new ATOM 0 HG12 VAL A 68 13.735 2.635 -14.960 1.00 1.65 H new ATOM 0 HG13 VAL A 68 15.185 1.618 -14.783 1.00 1.65 H new ATOM 0 HG21 VAL A 68 14.254 -0.521 -16.752 1.00 2.20 H new ATOM 0 HG22 VAL A 68 15.018 -0.858 -15.180 1.00 2.20 H new ATOM 0 HG23 VAL A 68 13.443 -1.585 -15.579 1.00 2.20 H new ATOM 703 N LEU A 69 12.744 2.374 -12.249 1.00 0.64 N ATOM 704 CA LEU A 69 12.181 3.669 -11.878 1.00 0.52 C ATOM 705 C LEU A 69 12.735 4.783 -12.793 1.00 0.56 C ATOM 706 O LEU A 69 13.924 4.751 -13.147 1.00 0.68 O ATOM 707 CB LEU A 69 12.505 3.972 -10.403 1.00 0.60 C ATOM 708 CG LEU A 69 11.832 3.026 -9.397 1.00 0.63 C ATOM 709 CD1 LEU A 69 12.336 3.318 -7.984 1.00 0.87 C ATOM 710 CD2 LEU A 69 10.314 3.200 -9.402 1.00 0.54 C ATOM 0 H LEU A 69 13.629 2.179 -11.780 1.00 0.64 H new ATOM 0 HA LEU A 69 11.099 3.634 -12.004 1.00 0.52 H new ATOM 0 HB2 LEU A 69 13.585 3.922 -10.263 1.00 0.60 H new ATOM 0 HB3 LEU A 69 12.202 4.995 -10.180 1.00 0.60 H new ATOM 0 HG LEU A 69 12.082 2.007 -9.692 1.00 0.63 H new ATOM 0 HD11 LEU A 69 11.853 2.642 -7.278 1.00 0.87 H new ATOM 0 HD12 LEU A 69 13.415 3.172 -7.945 1.00 0.87 H new ATOM 0 HD13 LEU A 69 12.100 4.349 -7.719 1.00 0.87 H new ATOM 0 HD21 LEU A 69 9.867 2.517 -8.680 1.00 0.54 H new ATOM 0 HD22 LEU A 69 10.065 4.226 -9.133 1.00 0.54 H new ATOM 0 HD23 LEU A 69 9.926 2.981 -10.397 1.00 0.54 H new ATOM 722 N PRO A 70 11.916 5.796 -13.143 1.00 0.55 N ATOM 723 CA PRO A 70 12.375 6.970 -13.882 1.00 0.66 C ATOM 724 C PRO A 70 13.153 7.945 -12.987 1.00 0.72 C ATOM 725 O PRO A 70 12.946 7.982 -11.773 1.00 0.68 O ATOM 726 CB PRO A 70 11.097 7.618 -14.412 1.00 0.70 C ATOM 727 CG PRO A 70 10.027 7.259 -13.401 1.00 0.59 C ATOM 728 CD PRO A 70 10.495 5.919 -12.821 1.00 0.50 C ATOM 0 HA PRO A 70 13.066 6.695 -14.679 1.00 0.66 H new ATOM 0 HB2 PRO A 70 11.210 8.699 -14.500 1.00 0.70 H new ATOM 0 HB3 PRO A 70 10.845 7.242 -15.403 1.00 0.70 H new ATOM 0 HG2 PRO A 70 9.940 8.020 -12.626 1.00 0.59 H new ATOM 0 HG3 PRO A 70 9.048 7.170 -13.872 1.00 0.59 H new ATOM 0 HD2 PRO A 70 10.338 5.888 -11.743 1.00 0.50 H new ATOM 0 HD3 PRO A 70 9.928 5.093 -13.249 1.00 0.50 H new ATOM 736 N ALA A 71 13.972 8.817 -13.579 1.00 0.87 N ATOM 737 CA ALA A 71 14.645 9.905 -12.857 1.00 0.98 C ATOM 738 C ALA A 71 13.654 10.922 -12.243 1.00 0.92 C ATOM 739 O ALA A 71 13.952 11.519 -11.209 1.00 1.10 O ATOM 740 CB ALA A 71 15.636 10.580 -13.811 1.00 1.18 C ATOM 0 H ALA A 71 14.189 8.791 -14.575 1.00 0.87 H new ATOM 0 HA ALA A 71 15.180 9.482 -12.007 1.00 0.98 H new ATOM 0 HB1 ALA A 71 16.146 11.391 -13.292 1.00 1.18 H new ATOM 0 HB2 ALA A 71 16.370 9.849 -14.150 1.00 1.18 H new ATOM 0 HB3 ALA A 71 15.098 10.980 -14.670 1.00 1.18 H new ATOM 746 N ASN A 72 12.451 11.056 -12.823 1.00 0.77 N ATOM 747 CA ASN A 72 11.345 11.852 -12.273 1.00 0.73 C ATOM 748 C ASN A 72 10.515 11.159 -11.165 1.00 0.64 C ATOM 749 O ASN A 72 9.513 11.716 -10.710 1.00 0.64 O ATOM 750 CB ASN A 72 10.475 12.412 -13.414 1.00 0.75 C ATOM 751 CG ASN A 72 9.843 11.379 -14.331 1.00 0.71 C ATOM 752 OD1 ASN A 72 10.208 11.232 -15.487 1.00 1.33 O ATOM 753 ND2 ASN A 72 8.875 10.618 -13.880 1.00 1.43 N ATOM 0 H ASN A 72 12.216 10.604 -13.707 1.00 0.77 H new ATOM 0 HA ASN A 72 11.808 12.684 -11.742 1.00 0.73 H new ATOM 0 HB2 ASN A 72 9.680 13.017 -12.977 1.00 0.75 H new ATOM 0 HB3 ASN A 72 11.088 13.080 -14.019 1.00 0.75 H new ATOM 0 HD21 ASN A 72 8.446 9.923 -14.491 1.00 1.43 H new ATOM 0 HD22 ASN A 72 8.552 10.721 -12.918 1.00 1.43 H new ATOM 760 N ALA A 73 10.893 9.949 -10.740 1.00 0.63 N ATOM 761 CA ALA A 73 10.336 9.259 -9.566 1.00 0.59 C ATOM 762 C ALA A 73 11.265 9.289 -8.334 1.00 0.64 C ATOM 763 O ALA A 73 12.495 9.314 -8.453 1.00 0.73 O ATOM 764 CB ALA A 73 10.009 7.810 -9.942 1.00 0.51 C ATOM 0 H ALA A 73 11.614 9.406 -11.214 1.00 0.63 H new ATOM 0 HA ALA A 73 9.433 9.797 -9.278 1.00 0.59 H new ATOM 0 HB1 ALA A 73 9.596 7.294 -9.076 1.00 0.51 H new ATOM 0 HB2 ALA A 73 9.280 7.800 -10.752 1.00 0.51 H new ATOM 0 HB3 ALA A 73 10.918 7.304 -10.266 1.00 0.51 H new ATOM 770 N LYS A 74 10.668 9.189 -7.141 1.00 0.64 N ATOM 771 CA LYS A 74 11.355 8.979 -5.853 1.00 0.76 C ATOM 772 C LYS A 74 10.541 8.080 -4.919 1.00 0.68 C ATOM 773 O LYS A 74 9.335 7.918 -5.112 1.00 0.56 O ATOM 774 CB LYS A 74 11.686 10.334 -5.208 1.00 1.04 C ATOM 775 CG LYS A 74 10.454 11.030 -4.612 1.00 0.82 C ATOM 776 CD LYS A 74 10.772 12.511 -4.364 1.00 1.04 C ATOM 777 CE LYS A 74 9.567 13.311 -3.856 1.00 1.19 C ATOM 778 NZ LYS A 74 9.957 14.717 -3.612 1.00 1.81 N ATOM 0 H LYS A 74 9.655 9.254 -7.038 1.00 0.64 H new ATOM 0 HA LYS A 74 12.292 8.455 -6.041 1.00 0.76 H new ATOM 0 HB2 LYS A 74 12.428 10.185 -4.423 1.00 1.04 H new ATOM 0 HB3 LYS A 74 12.139 10.985 -5.956 1.00 1.04 H new ATOM 0 HG2 LYS A 74 9.607 10.938 -5.292 1.00 0.82 H new ATOM 0 HG3 LYS A 74 10.167 10.547 -3.678 1.00 0.82 H new ATOM 0 HD2 LYS A 74 11.581 12.585 -3.638 1.00 1.04 H new ATOM 0 HD3 LYS A 74 11.133 12.958 -5.290 1.00 1.04 H new ATOM 0 HE2 LYS A 74 8.760 13.271 -4.587 1.00 1.19 H new ATOM 0 HE3 LYS A 74 9.187 12.866 -2.937 1.00 1.19 H new ATOM 0 HZ1 LYS A 74 9.134 15.251 -3.268 1.00 1.81 H new ATOM 0 HZ2 LYS A 74 10.713 14.749 -2.898 1.00 1.81 H new ATOM 0 HZ3 LYS A 74 10.299 15.141 -4.498 1.00 1.81 H new ATOM 792 N GLU A 75 11.193 7.497 -3.916 1.00 0.83 N ATOM 793 CA GLU A 75 10.592 6.517 -2.994 1.00 0.87 C ATOM 794 C GLU A 75 10.896 6.895 -1.539 1.00 1.11 C ATOM 795 O GLU A 75 12.020 7.321 -1.252 1.00 1.41 O ATOM 796 CB GLU A 75 11.061 5.078 -3.295 1.00 1.21 C ATOM 797 CG GLU A 75 11.592 4.804 -4.719 1.00 0.76 C ATOM 798 CD GLU A 75 13.122 4.936 -4.782 1.00 1.07 C ATOM 799 OE1 GLU A 75 13.834 4.114 -4.148 1.00 1.41 O ATOM 800 OE2 GLU A 75 13.624 5.864 -5.457 1.00 2.59 O ATOM 0 H GLU A 75 12.173 7.691 -3.711 1.00 0.83 H new ATOM 0 HA GLU A 75 9.513 6.542 -3.146 1.00 0.87 H new ATOM 0 HB2 GLU A 75 11.846 4.820 -2.584 1.00 1.21 H new ATOM 0 HB3 GLU A 75 10.227 4.402 -3.107 1.00 1.21 H new ATOM 0 HG2 GLU A 75 11.299 3.802 -5.032 1.00 0.76 H new ATOM 0 HG3 GLU A 75 11.136 5.503 -5.420 1.00 0.76 H new ATOM 807 N ILE A 76 9.930 6.753 -0.621 1.00 1.03 N ATOM 808 CA ILE A 76 10.060 7.307 0.740 1.00 1.06 C ATOM 809 C ILE A 76 9.682 6.371 1.897 1.00 1.00 C ATOM 810 O ILE A 76 8.767 5.542 1.822 1.00 1.02 O ATOM 811 CB ILE A 76 9.329 8.665 0.877 1.00 1.02 C ATOM 812 CG1 ILE A 76 7.795 8.511 0.758 1.00 1.09 C ATOM 813 CG2 ILE A 76 9.901 9.712 -0.104 1.00 1.13 C ATOM 814 CD1 ILE A 76 7.052 9.846 0.843 1.00 1.13 C ATOM 0 H ILE A 76 9.052 6.262 -0.792 1.00 1.03 H new ATOM 0 HA ILE A 76 11.135 7.451 0.847 1.00 1.06 H new ATOM 0 HB ILE A 76 9.517 9.040 1.883 1.00 1.02 H new ATOM 0 HG12 ILE A 76 7.556 8.028 -0.190 1.00 1.09 H new ATOM 0 HG13 ILE A 76 7.439 7.852 1.550 1.00 1.09 H new ATOM 0 HG21 ILE A 76 9.367 10.654 0.017 1.00 1.13 H new ATOM 0 HG22 ILE A 76 10.960 9.866 0.105 1.00 1.13 H new ATOM 0 HG23 ILE A 76 9.781 9.356 -1.127 1.00 1.13 H new ATOM 0 HD11 ILE A 76 5.980 9.672 0.753 1.00 1.13 H new ATOM 0 HD12 ILE A 76 7.264 10.320 1.802 1.00 1.13 H new ATOM 0 HD13 ILE A 76 7.383 10.499 0.035 1.00 1.13 H new ATOM 826 N ALA A 77 10.397 6.565 3.004 1.00 0.97 N ATOM 827 CA ALA A 77 10.108 6.026 4.327 1.00 0.85 C ATOM 828 C ALA A 77 9.227 7.014 5.123 1.00 0.60 C ATOM 829 O ALA A 77 9.059 8.169 4.731 1.00 0.77 O ATOM 830 CB ALA A 77 11.431 5.695 5.022 1.00 0.89 C ATOM 0 H ALA A 77 11.242 7.136 2.998 1.00 0.97 H new ATOM 0 HA ALA A 77 9.534 5.102 4.255 1.00 0.85 H new ATOM 0 HB1 ALA A 77 11.230 5.290 6.014 1.00 0.89 H new ATOM 0 HB2 ALA A 77 11.977 4.958 4.433 1.00 0.89 H new ATOM 0 HB3 ALA A 77 12.030 6.601 5.114 1.00 0.89 H new ATOM 836 N GLY A 78 8.660 6.582 6.250 1.00 0.53 N ATOM 837 CA GLY A 78 8.006 7.488 7.202 1.00 0.46 C ATOM 838 C GLY A 78 6.546 7.835 6.911 1.00 0.46 C ATOM 839 O GLY A 78 6.046 8.804 7.475 1.00 0.64 O ATOM 0 H GLY A 78 8.640 5.601 6.530 1.00 0.53 H new ATOM 0 HA2 GLY A 78 8.060 7.040 8.194 1.00 0.46 H new ATOM 0 HA3 GLY A 78 8.577 8.415 7.240 1.00 0.46 H new ATOM 843 N VAL A 79 5.858 7.057 6.073 1.00 0.49 N ATOM 844 CA VAL A 79 4.431 7.216 5.742 1.00 0.46 C ATOM 845 C VAL A 79 3.636 5.981 6.159 1.00 0.34 C ATOM 846 O VAL A 79 4.117 4.869 5.965 1.00 0.36 O ATOM 847 CB VAL A 79 4.265 7.554 4.248 1.00 0.57 C ATOM 848 CG1 VAL A 79 4.951 6.589 3.279 1.00 0.66 C ATOM 849 CG2 VAL A 79 2.801 7.707 3.829 1.00 0.60 C ATOM 0 H VAL A 79 6.289 6.271 5.587 1.00 0.49 H new ATOM 0 HA VAL A 79 4.023 8.053 6.308 1.00 0.46 H new ATOM 0 HB VAL A 79 4.777 8.513 4.168 1.00 0.57 H new ATOM 0 HG11 VAL A 79 4.774 6.915 2.254 1.00 0.66 H new ATOM 0 HG12 VAL A 79 6.023 6.577 3.476 1.00 0.66 H new ATOM 0 HG13 VAL A 79 4.546 5.587 3.416 1.00 0.66 H new ATOM 0 HG21 VAL A 79 2.750 7.945 2.766 1.00 0.60 H new ATOM 0 HG22 VAL A 79 2.269 6.775 4.018 1.00 0.60 H new ATOM 0 HG23 VAL A 79 2.340 8.511 4.403 1.00 0.60 H new ATOM 859 N MET A 80 2.443 6.175 6.734 1.00 0.38 N ATOM 860 CA MET A 80 1.570 5.111 7.252 1.00 0.33 C ATOM 861 C MET A 80 0.480 4.683 6.271 1.00 0.31 C ATOM 862 O MET A 80 -0.249 5.506 5.713 1.00 0.35 O ATOM 863 CB MET A 80 0.956 5.569 8.587 1.00 0.39 C ATOM 864 CG MET A 80 -0.125 4.640 9.158 1.00 0.41 C ATOM 865 SD MET A 80 0.374 2.916 9.388 1.00 0.52 S ATOM 866 CE MET A 80 0.534 2.840 11.184 1.00 0.46 C ATOM 0 H MET A 80 2.045 7.106 6.856 1.00 0.38 H new ATOM 0 HA MET A 80 2.189 4.227 7.404 1.00 0.33 H new ATOM 0 HB2 MET A 80 1.755 5.667 9.322 1.00 0.39 H new ATOM 0 HB3 MET A 80 0.526 6.561 8.450 1.00 0.39 H new ATOM 0 HG2 MET A 80 -0.451 5.037 10.119 1.00 0.41 H new ATOM 0 HG3 MET A 80 -0.989 4.665 8.494 1.00 0.41 H new ATOM 0 HE1 MET A 80 1.269 2.081 11.452 1.00 0.46 H new ATOM 0 HE2 MET A 80 0.859 3.809 11.562 1.00 0.46 H new ATOM 0 HE3 MET A 80 -0.429 2.584 11.625 1.00 0.46 H new ATOM 876 N PHE A 81 0.309 3.369 6.142 1.00 0.31 N ATOM 877 CA PHE A 81 -0.743 2.727 5.358 1.00 0.33 C ATOM 878 C PHE A 81 -1.368 1.535 6.100 1.00 0.32 C ATOM 879 O PHE A 81 -0.713 0.823 6.867 1.00 0.36 O ATOM 880 CB PHE A 81 -0.217 2.337 3.963 1.00 0.38 C ATOM 881 CG PHE A 81 1.268 2.038 3.938 1.00 0.39 C ATOM 882 CD1 PHE A 81 1.684 0.784 4.411 1.00 1.97 C ATOM 883 CD2 PHE A 81 2.229 3.033 3.633 1.00 2.02 C ATOM 884 CE1 PHE A 81 3.042 0.523 4.607 1.00 2.03 C ATOM 885 CE2 PHE A 81 3.594 2.739 3.797 1.00 1.99 C ATOM 886 CZ PHE A 81 4.001 1.491 4.289 1.00 0.63 C ATOM 0 H PHE A 81 0.924 2.696 6.599 1.00 0.31 H new ATOM 0 HA PHE A 81 -1.547 3.450 5.218 1.00 0.33 H new ATOM 0 HB2 PHE A 81 -0.762 1.461 3.610 1.00 0.38 H new ATOM 0 HB3 PHE A 81 -0.428 3.147 3.265 1.00 0.38 H new ATOM 0 HD1 PHE A 81 0.952 0.019 4.624 1.00 1.97 H new ATOM 0 HD2 PHE A 81 1.917 4.005 3.279 1.00 2.02 H new ATOM 0 HE1 PHE A 81 3.354 -0.431 5.006 1.00 2.03 H new ATOM 0 HE2 PHE A 81 4.336 3.481 3.542 1.00 1.99 H new ATOM 0 HZ PHE A 81 5.051 1.277 4.422 1.00 0.63 H new ATOM 896 N VAL A 82 -2.656 1.315 5.836 1.00 0.30 N ATOM 897 CA VAL A 82 -3.525 0.304 6.464 1.00 0.28 C ATOM 898 C VAL A 82 -4.093 -0.636 5.386 1.00 0.26 C ATOM 899 O VAL A 82 -4.402 -0.185 4.278 1.00 0.26 O ATOM 900 CB VAL A 82 -4.654 0.958 7.300 1.00 0.31 C ATOM 901 CG1 VAL A 82 -4.141 2.082 8.214 1.00 0.35 C ATOM 902 CG2 VAL A 82 -5.785 1.566 6.465 1.00 0.33 C ATOM 0 H VAL A 82 -3.155 1.867 5.138 1.00 0.30 H new ATOM 0 HA VAL A 82 -2.924 -0.284 7.158 1.00 0.28 H new ATOM 0 HB VAL A 82 -5.038 0.120 7.881 1.00 0.31 H new ATOM 0 HG11 VAL A 82 -4.975 2.504 8.775 1.00 0.35 H new ATOM 0 HG12 VAL A 82 -3.403 1.679 8.908 1.00 0.35 H new ATOM 0 HG13 VAL A 82 -3.680 2.862 7.608 1.00 0.35 H new ATOM 0 HG21 VAL A 82 -6.533 2.002 7.128 1.00 0.33 H new ATOM 0 HG22 VAL A 82 -5.381 2.341 5.814 1.00 0.33 H new ATOM 0 HG23 VAL A 82 -6.248 0.788 5.858 1.00 0.33 H new ATOM 912 N TRP A 83 -4.262 -1.927 5.682 1.00 0.25 N ATOM 913 CA TRP A 83 -4.955 -2.885 4.809 1.00 0.25 C ATOM 914 C TRP A 83 -6.474 -2.934 5.065 1.00 0.26 C ATOM 915 O TRP A 83 -6.967 -2.749 6.180 1.00 0.30 O ATOM 916 CB TRP A 83 -4.311 -4.276 4.911 1.00 0.26 C ATOM 917 CG TRP A 83 -3.156 -4.547 3.985 1.00 0.30 C ATOM 918 CD1 TRP A 83 -1.985 -3.867 3.928 1.00 0.37 C ATOM 919 CD2 TRP A 83 -3.045 -5.606 2.977 1.00 0.31 C ATOM 920 NE1 TRP A 83 -1.172 -4.423 2.957 1.00 0.40 N ATOM 921 CE2 TRP A 83 -1.778 -5.493 2.329 1.00 0.38 C ATOM 922 CE3 TRP A 83 -3.884 -6.661 2.551 1.00 0.29 C ATOM 923 CZ2 TRP A 83 -1.373 -6.369 1.307 1.00 0.42 C ATOM 924 CZ3 TRP A 83 -3.467 -7.575 1.565 1.00 0.33 C ATOM 925 CH2 TRP A 83 -2.217 -7.434 0.940 1.00 0.39 C ATOM 0 H TRP A 83 -3.917 -2.345 6.546 1.00 0.25 H new ATOM 0 HA TRP A 83 -4.837 -2.531 3.785 1.00 0.25 H new ATOM 0 HB2 TRP A 83 -3.969 -4.420 5.936 1.00 0.26 H new ATOM 0 HB3 TRP A 83 -5.082 -5.024 4.724 1.00 0.26 H new ATOM 0 HD1 TRP A 83 -1.726 -3.020 4.546 1.00 0.37 H new ATOM 0 HE1 TRP A 83 -0.237 -4.083 2.732 1.00 0.40 H new ATOM 0 HE3 TRP A 83 -4.865 -6.768 2.991 1.00 0.29 H new ATOM 0 HZ2 TRP A 83 -0.425 -6.227 0.809 1.00 0.42 H new ATOM 0 HZ3 TRP A 83 -4.115 -8.393 1.286 1.00 0.33 H new ATOM 0 HH2 TRP A 83 -1.905 -8.138 0.183 1.00 0.39 H new ATOM 936 N THR A 84 -7.222 -3.209 3.998 1.00 0.27 N ATOM 937 CA THR A 84 -8.690 -3.252 3.938 1.00 0.31 C ATOM 938 C THR A 84 -9.201 -4.354 2.997 1.00 0.32 C ATOM 939 O THR A 84 -8.438 -4.996 2.273 1.00 0.26 O ATOM 940 CB THR A 84 -9.271 -1.911 3.438 1.00 0.36 C ATOM 941 OG1 THR A 84 -8.612 -1.522 2.266 1.00 0.41 O ATOM 942 CG2 THR A 84 -9.173 -0.733 4.395 1.00 0.34 C ATOM 0 H THR A 84 -6.798 -3.421 3.095 1.00 0.27 H new ATOM 0 HA THR A 84 -9.020 -3.457 4.956 1.00 0.31 H new ATOM 0 HB THR A 84 -10.331 -2.125 3.303 1.00 0.36 H new ATOM 0 HG1 THR A 84 -8.799 -0.578 2.083 1.00 0.41 H new ATOM 0 HG21 THR A 84 -9.614 0.150 3.932 1.00 0.34 H new ATOM 0 HG22 THR A 84 -9.709 -0.966 5.315 1.00 0.34 H new ATOM 0 HG23 THR A 84 -8.126 -0.537 4.625 1.00 0.34 H new ATOM 950 N ASN A 85 -10.514 -4.573 2.986 1.00 0.45 N ATOM 951 CA ASN A 85 -11.232 -5.397 2.005 1.00 0.50 C ATOM 952 C ASN A 85 -11.799 -4.560 0.845 1.00 0.56 C ATOM 953 O ASN A 85 -11.820 -3.330 0.910 1.00 0.57 O ATOM 954 CB ASN A 85 -12.292 -6.221 2.766 1.00 0.59 C ATOM 955 CG ASN A 85 -11.779 -7.567 3.264 1.00 0.73 C ATOM 956 OD1 ASN A 85 -12.549 -8.423 3.680 1.00 1.60 O ATOM 957 ND2 ASN A 85 -10.482 -7.802 3.265 1.00 1.04 N ATOM 0 H ASN A 85 -11.135 -4.167 3.686 1.00 0.45 H new ATOM 0 HA ASN A 85 -10.547 -6.087 1.513 1.00 0.50 H new ATOM 0 HB2 ASN A 85 -12.649 -5.641 3.617 1.00 0.59 H new ATOM 0 HB3 ASN A 85 -13.148 -6.388 2.112 1.00 0.59 H new ATOM 0 HD21 ASN A 85 -10.125 -8.693 3.611 1.00 1.04 H new ATOM 0 HD22 ASN A 85 -9.835 -7.093 2.920 1.00 1.04 H new ATOM 964 N THR A 86 -12.282 -5.209 -0.219 1.00 0.67 N ATOM 965 CA THR A 86 -12.867 -4.534 -1.401 1.00 0.78 C ATOM 966 C THR A 86 -14.124 -3.726 -1.059 1.00 0.68 C ATOM 967 O THR A 86 -14.404 -2.705 -1.685 1.00 0.72 O ATOM 968 CB THR A 86 -13.196 -5.538 -2.515 1.00 1.02 C ATOM 969 OG1 THR A 86 -14.117 -6.485 -2.025 1.00 1.36 O ATOM 970 CG2 THR A 86 -11.958 -6.269 -3.022 1.00 1.45 C ATOM 0 H THR A 86 -12.282 -6.226 -0.293 1.00 0.67 H new ATOM 0 HA THR A 86 -12.104 -3.839 -1.753 1.00 0.78 H new ATOM 0 HB THR A 86 -13.616 -4.977 -3.350 1.00 1.02 H new ATOM 0 HG1 THR A 86 -14.333 -7.128 -2.732 1.00 1.36 H new ATOM 0 HG21 THR A 86 -12.244 -6.967 -3.809 1.00 1.45 H new ATOM 0 HG22 THR A 86 -11.246 -5.546 -3.420 1.00 1.45 H new ATOM 0 HG23 THR A 86 -11.497 -6.817 -2.200 1.00 1.45 H new ATOM 978 N ASN A 87 -14.817 -4.110 0.019 1.00 0.63 N ATOM 979 CA ASN A 87 -15.914 -3.362 0.642 1.00 0.61 C ATOM 980 C ASN A 87 -15.436 -2.133 1.456 1.00 0.55 C ATOM 981 O ASN A 87 -16.242 -1.497 2.134 1.00 0.65 O ATOM 982 CB ASN A 87 -16.738 -4.339 1.502 1.00 0.72 C ATOM 983 CG ASN A 87 -17.336 -5.502 0.724 1.00 1.23 C ATOM 984 OD1 ASN A 87 -17.558 -5.447 -0.478 1.00 1.66 O ATOM 985 ND2 ASN A 87 -17.592 -6.595 1.398 1.00 1.82 N ATOM 0 H ASN A 87 -14.620 -4.987 0.501 1.00 0.63 H new ATOM 0 HA ASN A 87 -16.538 -2.942 -0.147 1.00 0.61 H new ATOM 0 HB2 ASN A 87 -16.101 -4.735 2.293 1.00 0.72 H new ATOM 0 HB3 ASN A 87 -17.544 -3.788 1.987 1.00 0.72 H new ATOM 0 HD21 ASN A 87 -17.980 -7.409 0.921 1.00 1.82 H new ATOM 0 HD22 ASN A 87 -17.404 -6.632 2.400 1.00 1.82 H new ATOM 992 N ASN A 88 -14.141 -1.786 1.396 1.00 0.47 N ATOM 993 CA ASN A 88 -13.481 -0.660 2.066 1.00 0.48 C ATOM 994 C ASN A 88 -13.507 -0.735 3.613 1.00 0.49 C ATOM 995 O ASN A 88 -13.465 0.293 4.285 1.00 0.54 O ATOM 996 CB ASN A 88 -13.920 0.703 1.469 1.00 0.52 C ATOM 997 CG ASN A 88 -14.394 0.659 0.016 1.00 0.53 C ATOM 998 OD1 ASN A 88 -15.560 0.445 -0.293 1.00 0.64 O ATOM 999 ND2 ASN A 88 -13.503 0.824 -0.929 1.00 0.52 N ATOM 0 H ASN A 88 -13.481 -2.326 0.836 1.00 0.47 H new ATOM 0 HA ASN A 88 -12.418 -0.749 1.843 1.00 0.48 H new ATOM 0 HB2 ASN A 88 -14.724 1.108 2.084 1.00 0.52 H new ATOM 0 HB3 ASN A 88 -13.083 1.398 1.540 1.00 0.52 H new ATOM 0 HD21 ASN A 88 -13.783 0.774 -1.908 1.00 0.52 H new ATOM 0 HD22 ASN A 88 -12.529 1.003 -0.686 1.00 0.52 H new ATOM 1006 N GLU A 89 -13.594 -1.946 4.179 1.00 0.45 N ATOM 1007 CA GLU A 89 -13.530 -2.226 5.629 1.00 0.44 C ATOM 1008 C GLU A 89 -12.093 -2.446 6.097 1.00 0.43 C ATOM 1009 O GLU A 89 -11.325 -3.093 5.386 1.00 0.47 O ATOM 1010 CB GLU A 89 -14.289 -3.523 5.976 1.00 0.44 C ATOM 1011 CG GLU A 89 -15.752 -3.274 6.330 1.00 0.47 C ATOM 1012 CD GLU A 89 -16.347 -4.447 7.106 1.00 0.96 C ATOM 1013 OE1 GLU A 89 -16.690 -5.496 6.509 1.00 1.60 O ATOM 1014 OE2 GLU A 89 -16.475 -4.314 8.346 1.00 2.10 O ATOM 0 H GLU A 89 -13.715 -2.793 3.623 1.00 0.45 H new ATOM 0 HA GLU A 89 -13.972 -1.359 6.119 1.00 0.44 H new ATOM 0 HB2 GLU A 89 -14.236 -4.207 5.129 1.00 0.44 H new ATOM 0 HB3 GLU A 89 -13.795 -4.014 6.814 1.00 0.44 H new ATOM 0 HG2 GLU A 89 -15.834 -2.364 6.924 1.00 0.47 H new ATOM 0 HG3 GLU A 89 -16.326 -3.111 5.418 1.00 0.47 H new ATOM 1021 N ILE A 90 -11.762 -2.015 7.318 1.00 0.38 N ATOM 1022 CA ILE A 90 -10.443 -2.241 7.924 1.00 0.36 C ATOM 1023 C ILE A 90 -10.343 -3.653 8.519 1.00 0.36 C ATOM 1024 O ILE A 90 -11.182 -4.062 9.322 1.00 0.39 O ATOM 1025 CB ILE A 90 -10.072 -1.177 8.977 1.00 0.38 C ATOM 1026 CG1 ILE A 90 -10.396 0.245 8.478 1.00 0.39 C ATOM 1027 CG2 ILE A 90 -8.569 -1.322 9.292 1.00 0.41 C ATOM 1028 CD1 ILE A 90 -9.966 1.341 9.451 1.00 0.43 C ATOM 0 H ILE A 90 -12.404 -1.497 7.918 1.00 0.38 H new ATOM 0 HA ILE A 90 -9.716 -2.148 7.117 1.00 0.36 H new ATOM 0 HB ILE A 90 -10.662 -1.333 9.880 1.00 0.38 H new ATOM 0 HG12 ILE A 90 -9.904 0.407 7.519 1.00 0.39 H new ATOM 0 HG13 ILE A 90 -11.469 0.325 8.303 1.00 0.39 H new ATOM 0 HG21 ILE A 90 -8.280 -0.579 10.036 1.00 0.41 H new ATOM 0 HG22 ILE A 90 -8.374 -2.321 9.682 1.00 0.41 H new ATOM 0 HG23 ILE A 90 -7.990 -1.168 8.381 1.00 0.41 H new ATOM 0 HD11 ILE A 90 -10.224 2.316 9.038 1.00 0.43 H new ATOM 0 HD12 ILE A 90 -10.478 1.204 10.403 1.00 0.43 H new ATOM 0 HD13 ILE A 90 -8.889 1.287 9.607 1.00 0.43 H new ATOM 1040 N ILE A 91 -9.282 -4.371 8.148 1.00 0.34 N ATOM 1041 CA ILE A 91 -9.002 -5.757 8.585 1.00 0.35 C ATOM 1042 C ILE A 91 -7.653 -5.953 9.318 1.00 0.33 C ATOM 1043 O ILE A 91 -6.683 -5.231 9.093 1.00 0.36 O ATOM 1044 CB ILE A 91 -9.253 -6.755 7.426 1.00 0.36 C ATOM 1045 CG1 ILE A 91 -8.271 -6.659 6.234 1.00 0.37 C ATOM 1046 CG2 ILE A 91 -10.674 -6.572 6.865 1.00 0.38 C ATOM 1047 CD1 ILE A 91 -7.097 -7.629 6.343 1.00 0.96 C ATOM 0 H ILE A 91 -8.569 -4.003 7.518 1.00 0.34 H new ATOM 0 HA ILE A 91 -9.721 -5.986 9.372 1.00 0.35 H new ATOM 0 HB ILE A 91 -9.103 -7.732 7.885 1.00 0.36 H new ATOM 0 HG12 ILE A 91 -8.812 -6.856 5.309 1.00 0.37 H new ATOM 0 HG13 ILE A 91 -7.888 -5.641 6.168 1.00 0.37 H new ATOM 0 HG21 ILE A 91 -10.838 -7.279 6.052 1.00 0.38 H new ATOM 0 HG22 ILE A 91 -11.403 -6.753 7.655 1.00 0.38 H new ATOM 0 HG23 ILE A 91 -10.789 -5.555 6.491 1.00 0.38 H new ATOM 0 HD11 ILE A 91 -6.446 -7.511 5.477 1.00 0.96 H new ATOM 0 HD12 ILE A 91 -6.533 -7.417 7.252 1.00 0.96 H new ATOM 0 HD13 ILE A 91 -7.472 -8.652 6.379 1.00 0.96 H new ATOM 1059 N ASP A 92 -7.620 -6.920 10.239 1.00 0.33 N ATOM 1060 CA ASP A 92 -6.435 -7.477 10.930 1.00 0.34 C ATOM 1061 C ASP A 92 -5.706 -8.491 10.025 1.00 0.33 C ATOM 1062 O ASP A 92 -6.295 -9.031 9.091 1.00 0.32 O ATOM 1063 CB ASP A 92 -6.907 -8.130 12.249 1.00 0.39 C ATOM 1064 CG ASP A 92 -5.957 -9.162 12.879 1.00 0.70 C ATOM 1065 OD1 ASP A 92 -4.804 -8.835 13.233 1.00 1.63 O ATOM 1066 OD2 ASP A 92 -6.354 -10.343 12.998 1.00 2.37 O ATOM 0 H ASP A 92 -8.479 -7.373 10.550 1.00 0.33 H new ATOM 0 HA ASP A 92 -5.722 -6.684 11.155 1.00 0.34 H new ATOM 0 HB2 ASP A 92 -7.084 -7.339 12.978 1.00 0.39 H new ATOM 0 HB3 ASP A 92 -7.866 -8.615 12.066 1.00 0.39 H new ATOM 1071 N GLU A 93 -4.443 -8.810 10.316 1.00 0.38 N ATOM 1072 CA GLU A 93 -3.627 -9.737 9.510 1.00 0.40 C ATOM 1073 C GLU A 93 -4.226 -11.149 9.367 1.00 0.43 C ATOM 1074 O GLU A 93 -3.909 -11.850 8.413 1.00 0.56 O ATOM 1075 CB GLU A 93 -2.191 -9.818 10.059 1.00 0.53 C ATOM 1076 CG GLU A 93 -2.065 -10.585 11.385 1.00 0.65 C ATOM 1077 CD GLU A 93 -0.617 -10.772 11.848 1.00 1.05 C ATOM 1078 OE1 GLU A 93 0.348 -10.223 11.265 1.00 1.72 O ATOM 1079 OE2 GLU A 93 -0.397 -11.519 12.833 1.00 2.30 O ATOM 0 H GLU A 93 -3.948 -8.432 11.124 1.00 0.38 H new ATOM 0 HA GLU A 93 -3.615 -9.315 8.505 1.00 0.40 H new ATOM 0 HB2 GLU A 93 -1.556 -10.297 9.314 1.00 0.53 H new ATOM 0 HB3 GLU A 93 -1.810 -8.806 10.200 1.00 0.53 H new ATOM 0 HG2 GLU A 93 -2.619 -10.052 12.158 1.00 0.65 H new ATOM 0 HG3 GLU A 93 -2.532 -11.564 11.275 1.00 0.65 H new ATOM 1086 N ASN A 94 -5.105 -11.573 10.282 1.00 0.49 N ATOM 1087 CA ASN A 94 -5.799 -12.861 10.225 1.00 0.55 C ATOM 1088 C ASN A 94 -7.152 -12.759 9.467 1.00 0.51 C ATOM 1089 O ASN A 94 -7.930 -13.719 9.443 1.00 0.62 O ATOM 1090 CB ASN A 94 -5.969 -13.387 11.660 1.00 0.65 C ATOM 1091 CG ASN A 94 -4.675 -13.353 12.457 1.00 1.80 C ATOM 1092 OD1 ASN A 94 -3.752 -14.122 12.234 1.00 3.62 O ATOM 1093 ND2 ASN A 94 -4.555 -12.447 13.398 1.00 1.49 N ATOM 0 H ASN A 94 -5.358 -11.017 11.099 1.00 0.49 H new ATOM 0 HA ASN A 94 -5.201 -13.572 9.654 1.00 0.55 H new ATOM 0 HB2 ASN A 94 -6.723 -12.790 12.174 1.00 0.65 H new ATOM 0 HB3 ASN A 94 -6.342 -14.411 11.625 1.00 0.65 H new ATOM 0 HD21 ASN A 94 -3.693 -12.386 13.941 1.00 1.49 H new ATOM 0 HD22 ASN A 94 -5.323 -11.803 13.587 1.00 1.49 H new ATOM 1100 N GLY A 95 -7.478 -11.582 8.910 1.00 0.42 N ATOM 1101 CA GLY A 95 -8.700 -11.261 8.164 1.00 0.43 C ATOM 1102 C GLY A 95 -9.956 -11.041 9.018 1.00 0.40 C ATOM 1103 O GLY A 95 -11.074 -11.167 8.510 1.00 0.50 O ATOM 0 H GLY A 95 -6.853 -10.779 8.974 1.00 0.42 H new ATOM 0 HA2 GLY A 95 -8.520 -10.362 7.575 1.00 0.43 H new ATOM 0 HA3 GLY A 95 -8.898 -12.069 7.459 1.00 0.43 H new ATOM 1107 N GLN A 96 -9.793 -10.732 10.309 1.00 0.43 N ATOM 1108 CA GLN A 96 -10.876 -10.245 11.174 1.00 0.45 C ATOM 1109 C GLN A 96 -11.152 -8.780 10.812 1.00 0.43 C ATOM 1110 O GLN A 96 -10.217 -8.005 10.627 1.00 0.39 O ATOM 1111 CB GLN A 96 -10.467 -10.390 12.652 1.00 0.53 C ATOM 1112 CG GLN A 96 -11.443 -9.753 13.661 1.00 0.62 C ATOM 1113 CD GLN A 96 -12.754 -10.509 13.873 1.00 1.83 C ATOM 1114 OE1 GLN A 96 -12.964 -11.626 13.419 1.00 3.07 O ATOM 1115 NE2 GLN A 96 -13.694 -9.912 14.566 1.00 2.18 N ATOM 0 H GLN A 96 -8.897 -10.813 10.789 1.00 0.43 H new ATOM 0 HA GLN A 96 -11.784 -10.829 11.025 1.00 0.45 H new ATOM 0 HB2 GLN A 96 -10.368 -11.450 12.884 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -9.483 -9.941 12.787 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -10.937 -9.662 14.622 1.00 0.62 H new ATOM 0 HG3 GLN A 96 -11.676 -8.742 13.326 1.00 0.62 H new ATOM 0 HE21 GLN A 96 -13.531 -8.981 14.950 1.00 2.18 H new ATOM 0 HE22 GLN A 96 -14.588 -10.379 14.721 1.00 2.18 H new ATOM 1124 N THR A 97 -12.418 -8.379 10.726 1.00 0.51 N ATOM 1125 CA THR A 97 -12.822 -7.002 10.426 1.00 0.49 C ATOM 1126 C THR A 97 -13.064 -6.198 11.708 1.00 0.50 C ATOM 1127 O THR A 97 -13.691 -6.687 12.651 1.00 0.64 O ATOM 1128 CB THR A 97 -14.021 -6.974 9.469 1.00 0.56 C ATOM 1129 OG1 THR A 97 -15.234 -7.329 10.105 1.00 0.70 O ATOM 1130 CG2 THR A 97 -13.869 -7.927 8.274 1.00 0.53 C ATOM 0 H THR A 97 -13.207 -9.010 10.865 1.00 0.51 H new ATOM 0 HA THR A 97 -11.999 -6.510 9.908 1.00 0.49 H new ATOM 0 HB THR A 97 -14.048 -5.940 9.126 1.00 0.56 H new ATOM 0 HG1 THR A 97 -15.967 -7.294 9.455 1.00 0.70 H new ATOM 0 HG21 THR A 97 -14.752 -7.857 7.638 1.00 0.53 H new ATOM 0 HG22 THR A 97 -12.985 -7.652 7.699 1.00 0.53 H new ATOM 0 HG23 THR A 97 -13.763 -8.950 8.636 1.00 0.53 H new ATOM 1138 N LEU A 98 -12.555 -4.964 11.763 1.00 0.43 N ATOM 1139 CA LEU A 98 -12.490 -4.148 12.988 1.00 0.45 C ATOM 1140 C LEU A 98 -13.780 -3.341 13.275 1.00 0.50 C ATOM 1141 O LEU A 98 -13.873 -2.666 14.303 1.00 0.60 O ATOM 1142 CB LEU A 98 -11.260 -3.217 12.898 1.00 0.43 C ATOM 1143 CG LEU A 98 -9.874 -3.820 13.203 1.00 0.45 C ATOM 1144 CD1 LEU A 98 -9.705 -4.231 14.663 1.00 0.53 C ATOM 1145 CD2 LEU A 98 -9.480 -5.008 12.332 1.00 0.43 C ATOM 0 H LEU A 98 -12.169 -4.492 10.945 1.00 0.43 H new ATOM 0 HA LEU A 98 -12.393 -4.831 13.832 1.00 0.45 H new ATOM 0 HB2 LEU A 98 -11.229 -2.800 11.891 1.00 0.43 H new ATOM 0 HB3 LEU A 98 -11.420 -2.384 13.583 1.00 0.43 H new ATOM 0 HG LEU A 98 -9.206 -2.992 12.966 1.00 0.45 H new ATOM 0 HD11 LEU A 98 -8.709 -4.648 14.811 1.00 0.53 H new ATOM 0 HD12 LEU A 98 -9.832 -3.358 15.304 1.00 0.53 H new ATOM 0 HD13 LEU A 98 -10.453 -4.981 14.919 1.00 0.53 H new ATOM 0 HD21 LEU A 98 -8.491 -5.360 12.623 1.00 0.43 H new ATOM 0 HD22 LEU A 98 -10.205 -5.812 12.463 1.00 0.43 H new ATOM 0 HD23 LEU A 98 -9.463 -4.702 11.286 1.00 0.43 H new ATOM 1157 N GLY A 99 -14.766 -3.370 12.373 1.00 0.48 N ATOM 1158 CA GLY A 99 -16.008 -2.595 12.481 1.00 0.53 C ATOM 1159 C GLY A 99 -15.861 -1.128 12.055 1.00 0.54 C ATOM 1160 O GLY A 99 -16.600 -0.269 12.544 1.00 0.63 O ATOM 0 H GLY A 99 -14.723 -3.944 11.531 1.00 0.48 H new ATOM 0 HA2 GLY A 99 -16.775 -3.067 11.867 1.00 0.53 H new ATOM 0 HA3 GLY A 99 -16.359 -2.631 13.512 1.00 0.53 H new ATOM 1164 N VAL A 100 -14.891 -0.836 11.178 1.00 0.49 N ATOM 1165 CA VAL A 100 -14.615 0.493 10.607 1.00 0.50 C ATOM 1166 C VAL A 100 -14.498 0.380 9.083 1.00 0.45 C ATOM 1167 O VAL A 100 -14.005 -0.629 8.565 1.00 0.42 O ATOM 1168 CB VAL A 100 -13.330 1.108 11.207 1.00 0.54 C ATOM 1169 CG1 VAL A 100 -13.090 2.549 10.725 1.00 1.05 C ATOM 1170 CG2 VAL A 100 -13.354 1.142 12.742 1.00 1.05 C ATOM 0 H VAL A 100 -14.249 -1.549 10.831 1.00 0.49 H new ATOM 0 HA VAL A 100 -15.442 1.157 10.858 1.00 0.50 H new ATOM 0 HB VAL A 100 -12.528 0.456 10.861 1.00 0.54 H new ATOM 0 HG11 VAL A 100 -12.176 2.936 11.175 1.00 1.05 H new ATOM 0 HG12 VAL A 100 -12.992 2.558 9.639 1.00 1.05 H new ATOM 0 HG13 VAL A 100 -13.932 3.176 11.019 1.00 1.05 H new ATOM 0 HG21 VAL A 100 -12.428 1.583 13.111 1.00 1.05 H new ATOM 0 HG22 VAL A 100 -14.201 1.740 13.079 1.00 1.05 H new ATOM 0 HG23 VAL A 100 -13.451 0.127 13.127 1.00 1.05 H new ATOM 1180 N ASN A 101 -14.922 1.420 8.369 1.00 0.48 N ATOM 1181 CA ASN A 101 -14.799 1.602 6.926 1.00 0.47 C ATOM 1182 C ASN A 101 -14.077 2.920 6.591 1.00 0.47 C ATOM 1183 O ASN A 101 -13.905 3.790 7.448 1.00 0.55 O ATOM 1184 CB ASN A 101 -16.217 1.563 6.332 1.00 0.60 C ATOM 1185 CG ASN A 101 -16.717 0.176 6.020 1.00 1.95 C ATOM 1186 OD1 ASN A 101 -17.378 -0.485 6.814 1.00 3.86 O ATOM 1187 ND2 ASN A 101 -16.416 -0.304 4.843 1.00 1.72 N ATOM 0 H ASN A 101 -15.391 2.209 8.813 1.00 0.48 H new ATOM 0 HA ASN A 101 -14.193 0.806 6.492 1.00 0.47 H new ATOM 0 HB2 ASN A 101 -16.905 2.037 7.032 1.00 0.60 H new ATOM 0 HB3 ASN A 101 -16.233 2.157 5.418 1.00 0.60 H new ATOM 0 HD21 ASN A 101 -16.731 -1.237 4.577 1.00 1.72 H new ATOM 0 HD22 ASN A 101 -15.866 0.254 4.190 1.00 1.72 H new ATOM 1194 N ILE A 102 -13.636 3.053 5.338 1.00 0.44 N ATOM 1195 CA ILE A 102 -12.891 4.214 4.827 1.00 0.44 C ATOM 1196 C ILE A 102 -13.460 4.640 3.459 1.00 0.47 C ATOM 1197 O ILE A 102 -13.799 3.784 2.637 1.00 0.52 O ATOM 1198 CB ILE A 102 -11.369 3.895 4.777 1.00 0.40 C ATOM 1199 CG1 ILE A 102 -10.810 3.489 6.168 1.00 0.41 C ATOM 1200 CG2 ILE A 102 -10.629 5.124 4.233 1.00 0.42 C ATOM 1201 CD1 ILE A 102 -9.367 2.959 6.175 1.00 0.39 C ATOM 0 H ILE A 102 -13.790 2.337 4.628 1.00 0.44 H new ATOM 0 HA ILE A 102 -13.012 5.061 5.502 1.00 0.44 H new ATOM 0 HB ILE A 102 -11.213 3.040 4.119 1.00 0.40 H new ATOM 0 HG12 ILE A 102 -10.863 4.355 6.828 1.00 0.41 H new ATOM 0 HG13 ILE A 102 -11.461 2.725 6.592 1.00 0.41 H new ATOM 0 HG21 ILE A 102 -9.560 4.916 4.192 1.00 0.42 H new ATOM 0 HG22 ILE A 102 -10.993 5.354 3.232 1.00 0.42 H new ATOM 0 HG23 ILE A 102 -10.808 5.976 4.889 1.00 0.42 H new ATOM 0 HD11 ILE A 102 -9.077 2.705 7.195 1.00 0.39 H new ATOM 0 HD12 ILE A 102 -9.303 2.070 5.548 1.00 0.39 H new ATOM 0 HD13 ILE A 102 -8.696 3.725 5.787 1.00 0.39 H new ATOM 1213 N ASP A 103 -13.568 5.946 3.173 1.00 0.52 N ATOM 1214 CA ASP A 103 -13.979 6.408 1.837 1.00 0.52 C ATOM 1215 C ASP A 103 -12.839 6.293 0.800 1.00 0.46 C ATOM 1216 O ASP A 103 -11.720 6.714 1.106 1.00 0.47 O ATOM 1217 CB ASP A 103 -14.415 7.872 1.880 1.00 0.59 C ATOM 1218 CG ASP A 103 -15.429 8.142 0.784 1.00 0.77 C ATOM 1219 OD1 ASP A 103 -16.639 7.899 0.991 1.00 1.62 O ATOM 1220 OD2 ASP A 103 -14.998 8.571 -0.307 1.00 1.78 O ATOM 0 H ASP A 103 -13.379 6.694 3.840 1.00 0.52 H new ATOM 0 HA ASP A 103 -14.806 5.764 1.538 1.00 0.52 H new ATOM 0 HB2 ASP A 103 -14.848 8.103 2.853 1.00 0.59 H new ATOM 0 HB3 ASP A 103 -13.549 8.522 1.754 1.00 0.59 H new ATOM 1225 N PRO A 104 -13.069 5.842 -0.450 1.00 0.49 N ATOM 1226 CA PRO A 104 -12.025 5.828 -1.475 1.00 0.51 C ATOM 1227 C PRO A 104 -11.716 7.209 -2.064 1.00 0.62 C ATOM 1228 O PRO A 104 -10.749 7.354 -2.807 1.00 0.91 O ATOM 1229 CB PRO A 104 -12.522 4.839 -2.525 1.00 0.57 C ATOM 1230 CG PRO A 104 -14.045 4.950 -2.455 1.00 0.69 C ATOM 1231 CD PRO A 104 -14.333 5.379 -1.014 1.00 0.58 C ATOM 0 HA PRO A 104 -11.067 5.528 -1.050 1.00 0.51 H new ATOM 0 HB2 PRO A 104 -12.150 5.092 -3.518 1.00 0.57 H new ATOM 0 HB3 PRO A 104 -12.186 3.825 -2.307 1.00 0.57 H new ATOM 0 HG2 PRO A 104 -14.423 5.681 -3.170 1.00 0.69 H new ATOM 0 HG3 PRO A 104 -14.523 3.999 -2.689 1.00 0.69 H new ATOM 0 HD2 PRO A 104 -15.081 6.172 -0.989 1.00 0.58 H new ATOM 0 HD3 PRO A 104 -14.732 4.546 -0.435 1.00 0.58 H new ATOM 1239 N GLN A 105 -12.539 8.219 -1.791 1.00 0.58 N ATOM 1240 CA GLN A 105 -12.368 9.607 -2.222 1.00 0.64 C ATOM 1241 C GLN A 105 -11.775 10.465 -1.098 1.00 0.63 C ATOM 1242 O GLN A 105 -10.734 11.098 -1.273 1.00 0.70 O ATOM 1243 CB GLN A 105 -13.716 10.157 -2.706 1.00 0.73 C ATOM 1244 CG GLN A 105 -14.503 9.204 -3.607 1.00 0.88 C ATOM 1245 CD GLN A 105 -13.853 8.871 -4.947 1.00 1.06 C ATOM 1246 OE1 GLN A 105 -14.365 9.202 -6.009 1.00 2.00 O ATOM 1247 NE2 GLN A 105 -12.723 8.196 -4.969 1.00 0.88 N ATOM 0 H GLN A 105 -13.385 8.087 -1.236 1.00 0.58 H new ATOM 0 HA GLN A 105 -11.660 9.642 -3.050 1.00 0.64 H new ATOM 0 HB2 GLN A 105 -14.327 10.403 -1.837 1.00 0.73 H new ATOM 0 HB3 GLN A 105 -13.542 11.087 -3.247 1.00 0.73 H new ATOM 0 HG2 GLN A 105 -14.669 8.274 -3.064 1.00 0.88 H new ATOM 0 HG3 GLN A 105 -15.483 9.641 -3.798 1.00 0.88 H new ATOM 0 HE21 GLN A 105 -12.282 7.912 -4.094 1.00 0.88 H new ATOM 0 HE22 GLN A 105 -12.289 7.957 -5.861 1.00 0.88 H new ATOM 1256 N THR A 106 -12.413 10.444 0.078 1.00 0.63 N ATOM 1257 CA THR A 106 -12.054 11.304 1.225 1.00 0.67 C ATOM 1258 C THR A 106 -10.864 10.773 2.020 1.00 0.67 C ATOM 1259 O THR A 106 -10.167 11.561 2.666 1.00 0.77 O ATOM 1260 CB THR A 106 -13.250 11.532 2.175 1.00 0.72 C ATOM 1261 OG1 THR A 106 -13.433 10.463 3.067 1.00 0.70 O ATOM 1262 CG2 THR A 106 -14.544 11.746 1.400 1.00 0.77 C ATOM 0 H THR A 106 -13.202 9.825 0.268 1.00 0.63 H new ATOM 0 HA THR A 106 -11.764 12.258 0.786 1.00 0.67 H new ATOM 0 HB THR A 106 -13.010 12.429 2.746 1.00 0.72 H new ATOM 0 HG1 THR A 106 -14.198 10.650 3.650 1.00 0.70 H new ATOM 0 HG21 THR A 106 -15.365 11.903 2.099 1.00 0.77 H new ATOM 0 HG22 THR A 106 -14.443 12.620 0.757 1.00 0.77 H new ATOM 0 HG23 THR A 106 -14.751 10.868 0.789 1.00 0.77 H new ATOM 1270 N PHE A 107 -10.635 9.450 1.965 1.00 0.61 N ATOM 1271 CA PHE A 107 -9.645 8.713 2.770 1.00 0.69 C ATOM 1272 C PHE A 107 -9.860 8.838 4.294 1.00 0.76 C ATOM 1273 O PHE A 107 -8.976 8.490 5.079 1.00 0.87 O ATOM 1274 CB PHE A 107 -8.215 9.033 2.277 1.00 0.82 C ATOM 1275 CG PHE A 107 -7.573 8.037 1.320 1.00 0.63 C ATOM 1276 CD1 PHE A 107 -8.322 7.240 0.422 1.00 1.64 C ATOM 1277 CD2 PHE A 107 -6.169 7.919 1.328 1.00 1.59 C ATOM 1278 CE1 PHE A 107 -7.667 6.315 -0.398 1.00 1.68 C ATOM 1279 CE2 PHE A 107 -5.518 6.999 0.489 1.00 1.52 C ATOM 1280 CZ PHE A 107 -6.270 6.178 -0.359 1.00 0.56 C ATOM 0 H PHE A 107 -11.155 8.840 1.334 1.00 0.61 H new ATOM 0 HA PHE A 107 -9.799 7.647 2.605 1.00 0.69 H new ATOM 0 HB2 PHE A 107 -8.236 10.007 1.788 1.00 0.82 H new ATOM 0 HB3 PHE A 107 -7.569 9.128 3.150 1.00 0.82 H new ATOM 0 HD1 PHE A 107 -9.396 7.345 0.370 1.00 1.64 H new ATOM 0 HD2 PHE A 107 -5.585 8.544 1.988 1.00 1.59 H new ATOM 0 HE1 PHE A 107 -8.244 5.698 -1.071 1.00 1.68 H new ATOM 0 HE2 PHE A 107 -4.441 6.926 0.498 1.00 1.52 H new ATOM 0 HZ PHE A 107 -5.779 5.443 -0.980 1.00 0.56 H new ATOM 1290 N LYS A 108 -11.046 9.291 4.731 1.00 0.76 N ATOM 1291 CA LYS A 108 -11.382 9.494 6.147 1.00 0.89 C ATOM 1292 C LYS A 108 -12.161 8.304 6.724 1.00 0.77 C ATOM 1293 O LYS A 108 -12.876 7.613 5.989 1.00 0.71 O ATOM 1294 CB LYS A 108 -12.040 10.880 6.336 1.00 1.16 C ATOM 1295 CG LYS A 108 -13.578 10.892 6.290 1.00 1.25 C ATOM 1296 CD LYS A 108 -14.165 11.015 7.704 1.00 1.68 C ATOM 1297 CE LYS A 108 -15.642 10.619 7.729 1.00 1.71 C ATOM 1298 NZ LYS A 108 -16.180 10.675 9.106 1.00 2.61 N ATOM 0 H LYS A 108 -11.810 9.530 4.099 1.00 0.76 H new ATOM 0 HA LYS A 108 -10.473 9.516 6.748 1.00 0.89 H new ATOM 0 HB2 LYS A 108 -11.719 11.288 7.294 1.00 1.16 H new ATOM 0 HB3 LYS A 108 -11.665 11.550 5.562 1.00 1.16 H new ATOM 0 HG2 LYS A 108 -13.921 11.724 5.675 1.00 1.25 H new ATOM 0 HG3 LYS A 108 -13.939 9.978 5.820 1.00 1.25 H new ATOM 0 HD2 LYS A 108 -13.604 10.379 8.389 1.00 1.68 H new ATOM 0 HD3 LYS A 108 -14.055 12.040 8.058 1.00 1.68 H new ATOM 0 HE2 LYS A 108 -16.213 11.287 7.084 1.00 1.71 H new ATOM 0 HE3 LYS A 108 -15.760 9.612 7.329 1.00 1.71 H new ATOM 0 HZ1 LYS A 108 -17.219 10.637 9.075 1.00 2.61 H new ATOM 0 HZ2 LYS A 108 -15.821 9.866 9.652 1.00 2.61 H new ATOM 0 HZ3 LYS A 108 -15.879 11.561 9.560 1.00 2.61 H new ATOM 1312 N LEU A 109 -12.035 8.073 8.028 1.00 0.82 N ATOM 1313 CA LEU A 109 -12.606 6.934 8.754 1.00 0.74 C ATOM 1314 C LEU A 109 -14.103 7.111 9.049 1.00 0.83 C ATOM 1315 O LEU A 109 -14.566 8.203 9.381 1.00 0.92 O ATOM 1316 CB LEU A 109 -11.805 6.744 10.060 1.00 0.69 C ATOM 1317 CG LEU A 109 -10.361 6.263 9.812 1.00 0.63 C ATOM 1318 CD1 LEU A 109 -9.406 6.621 10.947 1.00 0.66 C ATOM 1319 CD2 LEU A 109 -10.321 4.747 9.692 1.00 0.54 C ATOM 0 H LEU A 109 -11.510 8.700 8.637 1.00 0.82 H new ATOM 0 HA LEU A 109 -12.529 6.046 8.127 1.00 0.74 H new ATOM 0 HB2 LEU A 109 -11.780 7.687 10.606 1.00 0.69 H new ATOM 0 HB3 LEU A 109 -12.319 6.022 10.694 1.00 0.69 H new ATOM 0 HG LEU A 109 -10.046 6.762 8.896 1.00 0.63 H new ATOM 0 HD11 LEU A 109 -8.407 6.255 10.711 1.00 0.66 H new ATOM 0 HD12 LEU A 109 -9.376 7.704 11.069 1.00 0.66 H new ATOM 0 HD13 LEU A 109 -9.752 6.161 11.872 1.00 0.66 H new ATOM 0 HD21 LEU A 109 -9.295 4.423 9.517 1.00 0.54 H new ATOM 0 HD22 LEU A 109 -10.691 4.299 10.614 1.00 0.54 H new ATOM 0 HD23 LEU A 109 -10.948 4.431 8.858 1.00 0.54 H new ATOM 1331 N SER A 110 -14.855 6.009 9.020 1.00 0.82 N ATOM 1332 CA SER A 110 -16.274 5.970 9.411 1.00 0.93 C ATOM 1333 C SER A 110 -16.501 6.098 10.931 1.00 1.02 C ATOM 1334 O SER A 110 -17.642 6.215 11.389 1.00 1.34 O ATOM 1335 CB SER A 110 -16.920 4.692 8.860 1.00 0.94 C ATOM 1336 OG SER A 110 -16.506 3.550 9.592 1.00 1.28 O ATOM 0 H SER A 110 -14.494 5.103 8.721 1.00 0.82 H new ATOM 0 HA SER A 110 -16.753 6.846 8.974 1.00 0.93 H new ATOM 0 HB2 SER A 110 -18.005 4.782 8.905 1.00 0.94 H new ATOM 0 HB3 SER A 110 -16.653 4.570 7.810 1.00 0.94 H new ATOM 0 HG SER A 110 -17.110 2.802 9.401 1.00 1.28 H new ATOM 1342 N GLY A 111 -15.424 6.058 11.722 1.00 0.85 N ATOM 1343 CA GLY A 111 -15.427 5.982 13.183 1.00 0.87 C ATOM 1344 C GLY A 111 -14.020 6.154 13.766 1.00 0.77 C ATOM 1345 O GLY A 111 -13.176 6.816 13.155 1.00 0.78 O ATOM 0 H GLY A 111 -14.479 6.079 11.339 1.00 0.85 H new ATOM 0 HA2 GLY A 111 -16.084 6.753 13.585 1.00 0.87 H new ATOM 0 HA3 GLY A 111 -15.835 5.021 13.496 1.00 0.87 H new ATOM 1349 N ALA A 112 -13.760 5.572 14.937 1.00 0.80 N ATOM 1350 CA ALA A 112 -12.499 5.734 15.666 1.00 0.79 C ATOM 1351 C ALA A 112 -11.402 4.755 15.199 1.00 0.71 C ATOM 1352 O ALA A 112 -11.686 3.619 14.805 1.00 0.71 O ATOM 1353 CB ALA A 112 -12.782 5.610 17.169 1.00 0.93 C ATOM 0 H ALA A 112 -14.428 4.966 15.414 1.00 0.80 H new ATOM 0 HA ALA A 112 -12.099 6.725 15.451 1.00 0.79 H new ATOM 0 HB1 ALA A 112 -11.852 5.728 17.725 1.00 0.93 H new ATOM 0 HB2 ALA A 112 -13.487 6.384 17.472 1.00 0.93 H new ATOM 0 HB3 ALA A 112 -13.208 4.629 17.379 1.00 0.93 H new ATOM 1359 N MET A 113 -10.140 5.187 15.283 1.00 0.74 N ATOM 1360 CA MET A 113 -8.940 4.427 14.901 1.00 0.73 C ATOM 1361 C MET A 113 -8.894 3.037 15.587 1.00 0.70 C ATOM 1362 O MET A 113 -9.034 2.969 16.810 1.00 0.86 O ATOM 1363 CB MET A 113 -7.703 5.262 15.285 1.00 0.91 C ATOM 1364 CG MET A 113 -6.388 4.842 14.615 1.00 1.14 C ATOM 1365 SD MET A 113 -5.986 5.729 13.075 1.00 1.35 S ATOM 1366 CE MET A 113 -6.476 4.525 11.813 1.00 1.07 C ATOM 0 H MET A 113 -9.914 6.117 15.635 1.00 0.74 H new ATOM 0 HA MET A 113 -8.959 4.244 13.827 1.00 0.73 H new ATOM 0 HB2 MET A 113 -7.899 6.305 15.038 1.00 0.91 H new ATOM 0 HB3 MET A 113 -7.573 5.210 16.366 1.00 0.91 H new ATOM 0 HG2 MET A 113 -5.574 4.990 15.324 1.00 1.14 H new ATOM 0 HG3 MET A 113 -6.433 3.774 14.400 1.00 1.14 H new ATOM 0 HE1 MET A 113 -6.171 4.884 10.830 1.00 1.07 H new ATOM 0 HE2 MET A 113 -5.994 3.569 12.016 1.00 1.07 H new ATOM 0 HE3 MET A 113 -7.558 4.397 11.833 1.00 1.07 H new ATOM 1376 N PRO A 114 -8.694 1.929 14.846 1.00 0.57 N ATOM 1377 CA PRO A 114 -8.756 0.564 15.384 1.00 0.54 C ATOM 1378 C PRO A 114 -7.501 0.127 16.155 1.00 0.68 C ATOM 1379 O PRO A 114 -6.404 0.652 15.941 1.00 0.87 O ATOM 1380 CB PRO A 114 -8.940 -0.331 14.159 1.00 0.43 C ATOM 1381 CG PRO A 114 -8.173 0.436 13.088 1.00 0.52 C ATOM 1382 CD PRO A 114 -8.517 1.875 13.404 1.00 0.58 C ATOM 0 HA PRO A 114 -9.564 0.499 16.113 1.00 0.54 H new ATOM 0 HB2 PRO A 114 -8.531 -1.329 14.318 1.00 0.43 H new ATOM 0 HB3 PRO A 114 -9.991 -0.455 13.898 1.00 0.43 H new ATOM 0 HG2 PRO A 114 -7.100 0.253 13.148 1.00 0.52 H new ATOM 0 HG3 PRO A 114 -8.489 0.155 12.083 1.00 0.52 H new ATOM 0 HD2 PRO A 114 -7.722 2.548 13.082 1.00 0.58 H new ATOM 0 HD3 PRO A 114 -9.425 2.183 12.886 1.00 0.58 H new ATOM 1390 N ALA A 115 -7.659 -0.917 16.969 1.00 0.71 N ATOM 1391 CA ALA A 115 -6.622 -1.534 17.797 1.00 0.83 C ATOM 1392 C ALA A 115 -5.667 -2.465 17.021 1.00 0.77 C ATOM 1393 O ALA A 115 -4.464 -2.217 16.953 1.00 1.11 O ATOM 1394 CB ALA A 115 -7.351 -2.302 18.906 1.00 0.95 C ATOM 0 H ALA A 115 -8.562 -1.380 17.074 1.00 0.71 H new ATOM 0 HA ALA A 115 -5.974 -0.752 18.193 1.00 0.83 H new ATOM 0 HB1 ALA A 115 -6.620 -2.784 19.556 1.00 0.95 H new ATOM 0 HB2 ALA A 115 -7.956 -1.609 19.491 1.00 0.95 H new ATOM 0 HB3 ALA A 115 -7.996 -3.060 18.461 1.00 0.95 H new ATOM 1400 N THR A 116 -6.204 -3.540 16.428 1.00 0.60 N ATOM 1401 CA THR A 116 -5.429 -4.658 15.838 1.00 0.54 C ATOM 1402 C THR A 116 -5.402 -4.666 14.306 1.00 0.48 C ATOM 1403 O THR A 116 -4.946 -5.625 13.688 1.00 0.54 O ATOM 1404 CB THR A 116 -5.904 -6.015 16.389 1.00 0.59 C ATOM 1405 OG1 THR A 116 -7.291 -6.171 16.188 1.00 0.70 O ATOM 1406 CG2 THR A 116 -5.671 -6.123 17.894 1.00 0.72 C ATOM 0 H THR A 116 -7.212 -3.666 16.339 1.00 0.60 H new ATOM 0 HA THR A 116 -4.397 -4.490 16.147 1.00 0.54 H new ATOM 0 HB THR A 116 -5.334 -6.779 15.860 1.00 0.59 H new ATOM 0 HG1 THR A 116 -7.577 -7.039 16.542 1.00 0.70 H new ATOM 0 HG21 THR A 116 -6.018 -7.094 18.247 1.00 0.72 H new ATOM 0 HG22 THR A 116 -4.607 -6.019 18.106 1.00 0.72 H new ATOM 0 HG23 THR A 116 -6.221 -5.333 18.405 1.00 0.72 H new ATOM 1414 N ALA A 117 -5.863 -3.591 13.663 1.00 0.44 N ATOM 1415 CA ALA A 117 -5.816 -3.431 12.206 1.00 0.41 C ATOM 1416 C ALA A 117 -4.396 -3.613 11.624 1.00 0.37 C ATOM 1417 O ALA A 117 -3.406 -3.214 12.239 1.00 0.40 O ATOM 1418 CB ALA A 117 -6.369 -2.050 11.848 1.00 0.41 C ATOM 0 H ALA A 117 -6.285 -2.797 14.144 1.00 0.44 H new ATOM 0 HA ALA A 117 -6.427 -4.216 11.761 1.00 0.41 H new ATOM 0 HB1 ALA A 117 -6.341 -1.916 10.767 1.00 0.41 H new ATOM 0 HB2 ALA A 117 -7.398 -1.969 12.197 1.00 0.41 H new ATOM 0 HB3 ALA A 117 -5.762 -1.280 12.325 1.00 0.41 H new ATOM 1424 N MET A 118 -4.314 -4.174 10.418 1.00 0.31 N ATOM 1425 CA MET A 118 -3.090 -4.463 9.664 1.00 0.27 C ATOM 1426 C MET A 118 -2.491 -3.166 9.086 1.00 0.27 C ATOM 1427 O MET A 118 -2.912 -2.703 8.026 1.00 0.31 O ATOM 1428 CB MET A 118 -3.499 -5.470 8.576 1.00 0.26 C ATOM 1429 CG MET A 118 -2.398 -5.933 7.624 1.00 0.27 C ATOM 1430 SD MET A 118 -0.994 -6.793 8.380 1.00 1.53 S ATOM 1431 CE MET A 118 -0.644 -7.985 7.052 1.00 0.57 C ATOM 0 H MET A 118 -5.151 -4.457 9.908 1.00 0.31 H new ATOM 0 HA MET A 118 -2.305 -4.886 10.291 1.00 0.27 H new ATOM 0 HB2 MET A 118 -3.918 -6.349 9.066 1.00 0.26 H new ATOM 0 HB3 MET A 118 -4.298 -5.025 7.983 1.00 0.26 H new ATOM 0 HG2 MET A 118 -2.844 -6.594 6.880 1.00 0.27 H new ATOM 0 HG3 MET A 118 -2.019 -5.062 7.090 1.00 0.27 H new ATOM 0 HE1 MET A 118 0.413 -8.250 7.070 1.00 0.57 H new ATOM 0 HE2 MET A 118 -1.246 -8.882 7.200 1.00 0.57 H new ATOM 0 HE3 MET A 118 -0.889 -7.539 6.088 1.00 0.57 H new ATOM 1441 N LYS A 119 -1.538 -2.544 9.791 1.00 0.32 N ATOM 1442 CA LYS A 119 -1.019 -1.188 9.487 1.00 0.31 C ATOM 1443 C LYS A 119 0.450 -1.000 9.865 1.00 0.38 C ATOM 1444 O LYS A 119 0.887 -1.492 10.905 1.00 0.50 O ATOM 1445 CB LYS A 119 -1.905 -0.151 10.196 1.00 0.33 C ATOM 1446 CG LYS A 119 -1.973 -0.229 11.737 1.00 0.39 C ATOM 1447 CD LYS A 119 -3.295 0.401 12.205 1.00 0.48 C ATOM 1448 CE LYS A 119 -3.615 0.300 13.712 1.00 0.61 C ATOM 1449 NZ LYS A 119 -2.556 0.847 14.598 1.00 0.95 N ATOM 0 H LYS A 119 -1.093 -2.969 10.604 1.00 0.32 H new ATOM 0 HA LYS A 119 -1.060 -1.050 8.407 1.00 0.31 H new ATOM 0 HB2 LYS A 119 -1.551 0.843 9.922 1.00 0.33 H new ATOM 0 HB3 LYS A 119 -2.918 -0.247 9.806 1.00 0.33 H new ATOM 0 HG2 LYS A 119 -1.912 -1.266 12.066 1.00 0.39 H new ATOM 0 HG3 LYS A 119 -1.127 0.296 12.180 1.00 0.39 H new ATOM 0 HD2 LYS A 119 -3.286 1.455 11.929 1.00 0.48 H new ATOM 0 HD3 LYS A 119 -4.110 -0.067 11.652 1.00 0.48 H new ATOM 0 HE2 LYS A 119 -4.547 0.829 13.910 1.00 0.61 H new ATOM 0 HE3 LYS A 119 -3.782 -0.747 13.967 1.00 0.61 H new ATOM 0 HZ1 LYS A 119 -2.846 0.742 15.591 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 -1.669 0.328 14.440 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 -2.411 1.854 14.384 1.00 0.95 H new ATOM 1463 N LYS A 120 1.224 -0.301 9.028 1.00 0.35 N ATOM 1464 CA LYS A 120 2.681 -0.116 9.193 1.00 0.39 C ATOM 1465 C LYS A 120 3.194 1.085 8.403 1.00 0.37 C ATOM 1466 O LYS A 120 2.542 1.532 7.461 1.00 0.48 O ATOM 1467 CB LYS A 120 3.385 -1.412 8.734 1.00 0.59 C ATOM 1468 CG LYS A 120 4.809 -1.629 9.265 1.00 0.60 C ATOM 1469 CD LYS A 120 5.329 -2.990 8.782 1.00 0.92 C ATOM 1470 CE LYS A 120 6.833 -3.185 9.017 1.00 1.00 C ATOM 1471 NZ LYS A 120 7.126 -3.726 10.363 1.00 1.78 N ATOM 0 H LYS A 120 0.854 0.164 8.199 1.00 0.35 H new ATOM 0 HA LYS A 120 2.901 0.085 10.242 1.00 0.39 H new ATOM 0 HB2 LYS A 120 2.772 -2.261 9.037 1.00 0.59 H new ATOM 0 HB3 LYS A 120 3.420 -1.416 7.645 1.00 0.59 H new ATOM 0 HG2 LYS A 120 5.465 -0.832 8.916 1.00 0.60 H new ATOM 0 HG3 LYS A 120 4.813 -1.591 10.354 1.00 0.60 H new ATOM 0 HD2 LYS A 120 4.783 -3.782 9.294 1.00 0.92 H new ATOM 0 HD3 LYS A 120 5.118 -3.094 7.718 1.00 0.92 H new ATOM 0 HE2 LYS A 120 7.232 -3.862 8.261 1.00 1.00 H new ATOM 0 HE3 LYS A 120 7.345 -2.231 8.892 1.00 1.00 H new ATOM 0 HZ1 LYS A 120 8.154 -3.840 10.475 1.00 1.78 H new ATOM 0 HZ2 LYS A 120 6.770 -3.069 11.086 1.00 1.78 H new ATOM 0 HZ3 LYS A 120 6.661 -4.649 10.475 1.00 1.78 H new ATOM 1485 N LEU A 121 4.374 1.570 8.780 1.00 0.39 N ATOM 1486 CA LEU A 121 5.108 2.620 8.076 1.00 0.39 C ATOM 1487 C LEU A 121 6.273 2.059 7.249 1.00 0.39 C ATOM 1488 O LEU A 121 6.884 1.061 7.643 1.00 0.43 O ATOM 1489 CB LEU A 121 5.578 3.708 9.059 1.00 0.40 C ATOM 1490 CG LEU A 121 4.404 4.476 9.694 1.00 0.41 C ATOM 1491 CD1 LEU A 121 3.889 3.885 11.004 1.00 0.48 C ATOM 1492 CD2 LEU A 121 4.779 5.937 9.933 1.00 0.46 C ATOM 0 H LEU A 121 4.862 1.233 9.610 1.00 0.39 H new ATOM 0 HA LEU A 121 4.421 3.081 7.366 1.00 0.39 H new ATOM 0 HB2 LEU A 121 6.175 3.248 9.846 1.00 0.40 H new ATOM 0 HB3 LEU A 121 6.227 4.410 8.536 1.00 0.40 H new ATOM 0 HG LEU A 121 3.596 4.391 8.968 1.00 0.41 H new ATOM 0 HD11 LEU A 121 3.063 4.491 11.377 1.00 0.48 H new ATOM 0 HD12 LEU A 121 3.542 2.866 10.832 1.00 0.48 H new ATOM 0 HD13 LEU A 121 4.693 3.875 11.740 1.00 0.48 H new ATOM 0 HD21 LEU A 121 3.935 6.461 10.382 1.00 0.46 H new ATOM 0 HD22 LEU A 121 5.636 5.987 10.604 1.00 0.46 H new ATOM 0 HD23 LEU A 121 5.034 6.407 8.983 1.00 0.46 H new ATOM 1504 N THR A 122 6.627 2.707 6.130 1.00 0.41 N ATOM 1505 CA THR A 122 7.839 2.345 5.367 1.00 0.42 C ATOM 1506 C THR A 122 9.096 2.664 6.194 1.00 0.49 C ATOM 1507 O THR A 122 9.200 3.743 6.782 1.00 0.54 O ATOM 1508 CB THR A 122 7.900 2.967 3.950 1.00 0.45 C ATOM 1509 OG1 THR A 122 7.384 4.281 3.940 1.00 0.46 O ATOM 1510 CG2 THR A 122 7.141 2.202 2.860 1.00 0.51 C ATOM 0 H THR A 122 6.097 3.482 5.731 1.00 0.41 H new ATOM 0 HA THR A 122 7.793 1.270 5.192 1.00 0.42 H new ATOM 0 HB THR A 122 8.964 2.931 3.717 1.00 0.45 H new ATOM 0 HG1 THR A 122 7.756 4.773 3.178 1.00 0.46 H new ATOM 0 HG21 THR A 122 7.248 2.722 1.908 1.00 0.51 H new ATOM 0 HG22 THR A 122 7.549 1.195 2.771 1.00 0.51 H new ATOM 0 HG23 THR A 122 6.085 2.144 3.124 1.00 0.51 H new ATOM 1518 N GLU A 123 10.035 1.713 6.280 1.00 0.54 N ATOM 1519 CA GLU A 123 11.207 1.767 7.182 1.00 0.71 C ATOM 1520 C GLU A 123 12.380 2.582 6.624 1.00 0.72 C ATOM 1521 O GLU A 123 12.789 3.582 7.220 1.00 0.88 O ATOM 1522 CB GLU A 123 11.693 0.363 7.615 1.00 0.86 C ATOM 1523 CG GLU A 123 11.515 -0.740 6.571 1.00 0.88 C ATOM 1524 CD GLU A 123 12.335 -1.995 6.888 1.00 1.35 C ATOM 1525 OE1 GLU A 123 13.570 -1.984 6.656 1.00 1.85 O ATOM 1526 OE2 GLU A 123 11.754 -3.013 7.338 1.00 2.47 O ATOM 0 H GLU A 123 10.006 0.864 5.715 1.00 0.54 H new ATOM 0 HA GLU A 123 10.842 2.292 8.065 1.00 0.71 H new ATOM 0 HB2 GLU A 123 12.749 0.427 7.876 1.00 0.86 H new ATOM 0 HB3 GLU A 123 11.158 0.074 8.520 1.00 0.86 H new ATOM 0 HG2 GLU A 123 10.460 -1.007 6.507 1.00 0.88 H new ATOM 0 HG3 GLU A 123 11.807 -0.358 5.593 1.00 0.88 H new ATOM 1533 N ALA A 124 12.921 2.156 5.484 1.00 0.66 N ATOM 1534 CA ALA A 124 13.997 2.834 4.761 1.00 0.78 C ATOM 1535 C ALA A 124 13.853 2.651 3.242 1.00 0.79 C ATOM 1536 O ALA A 124 14.148 3.574 2.481 1.00 1.23 O ATOM 1537 CB ALA A 124 15.339 2.297 5.267 1.00 0.92 C ATOM 0 H ALA A 124 12.612 1.301 5.022 1.00 0.66 H new ATOM 0 HA ALA A 124 13.943 3.906 4.949 1.00 0.78 H new ATOM 0 HB1 ALA A 124 16.152 2.793 4.737 1.00 0.92 H new ATOM 0 HB2 ALA A 124 15.429 2.492 6.336 1.00 0.92 H new ATOM 0 HB3 ALA A 124 15.392 1.223 5.089 1.00 0.92 H new ATOM 1543 N GLU A 125 13.359 1.489 2.800 1.00 0.82 N ATOM 1544 CA GLU A 125 13.086 1.178 1.393 1.00 1.34 C ATOM 1545 C GLU A 125 11.659 0.692 1.114 1.00 1.33 C ATOM 1546 O GLU A 125 11.217 0.740 -0.036 1.00 2.25 O ATOM 1547 CB GLU A 125 14.100 0.124 0.939 1.00 1.75 C ATOM 1548 CG GLU A 125 15.528 0.674 0.877 1.00 2.03 C ATOM 1549 CD GLU A 125 16.499 -0.378 0.343 1.00 2.83 C ATOM 1550 OE1 GLU A 125 16.665 -0.479 -0.898 1.00 4.17 O ATOM 1551 OE2 GLU A 125 17.106 -1.112 1.162 1.00 3.28 O ATOM 0 H GLU A 125 13.132 0.718 3.428 1.00 0.82 H new ATOM 0 HA GLU A 125 13.183 2.106 0.830 1.00 1.34 H new ATOM 0 HB2 GLU A 125 14.070 -0.724 1.624 1.00 1.75 H new ATOM 0 HB3 GLU A 125 13.815 -0.250 -0.044 1.00 1.75 H new ATOM 0 HG2 GLU A 125 15.554 1.556 0.237 1.00 2.03 H new ATOM 0 HG3 GLU A 125 15.842 0.992 1.871 1.00 2.03 H new ATOM 1558 N GLY A 126 10.928 0.248 2.136 1.00 0.53 N ATOM 1559 CA GLY A 126 9.620 -0.394 2.004 1.00 0.50 C ATOM 1560 C GLY A 126 9.042 -0.799 3.365 1.00 0.50 C ATOM 1561 O GLY A 126 9.517 -0.316 4.385 1.00 0.60 O ATOM 0 H GLY A 126 11.237 0.327 3.105 1.00 0.53 H new ATOM 0 HA2 GLY A 126 8.930 0.287 1.505 1.00 0.50 H new ATOM 0 HA3 GLY A 126 9.711 -1.277 1.371 1.00 0.50 H new ATOM 1565 N ALA A 127 8.002 -1.632 3.397 1.00 0.50 N ATOM 1566 CA ALA A 127 7.456 -2.285 4.599 1.00 0.50 C ATOM 1567 C ALA A 127 6.928 -3.703 4.294 1.00 0.47 C ATOM 1568 O ALA A 127 6.179 -3.877 3.329 1.00 0.48 O ATOM 1569 CB ALA A 127 6.333 -1.409 5.173 1.00 0.47 C ATOM 0 H ALA A 127 7.491 -1.885 2.551 1.00 0.50 H new ATOM 0 HA ALA A 127 8.258 -2.394 5.329 1.00 0.50 H new ATOM 0 HB1 ALA A 127 5.921 -1.883 6.064 1.00 0.47 H new ATOM 0 HB2 ALA A 127 6.733 -0.430 5.435 1.00 0.47 H new ATOM 0 HB3 ALA A 127 5.546 -1.292 4.428 1.00 0.47 H new ATOM 1575 N LYS A 128 7.257 -4.698 5.132 1.00 0.46 N ATOM 1576 CA LYS A 128 6.781 -6.096 5.018 1.00 0.45 C ATOM 1577 C LYS A 128 5.440 -6.330 5.731 1.00 0.42 C ATOM 1578 O LYS A 128 5.234 -5.865 6.855 1.00 0.45 O ATOM 1579 CB LYS A 128 7.856 -7.058 5.559 1.00 0.48 C ATOM 1580 CG LYS A 128 7.573 -8.532 5.201 1.00 1.07 C ATOM 1581 CD LYS A 128 8.465 -9.499 5.990 1.00 1.02 C ATOM 1582 CE LYS A 128 7.995 -10.945 5.782 1.00 1.32 C ATOM 1583 NZ LYS A 128 8.780 -11.910 6.587 1.00 1.53 N ATOM 0 H LYS A 128 7.877 -4.555 5.929 1.00 0.46 H new ATOM 0 HA LYS A 128 6.607 -6.294 3.960 1.00 0.45 H new ATOM 0 HB2 LYS A 128 8.828 -6.772 5.158 1.00 0.48 H new ATOM 0 HB3 LYS A 128 7.916 -6.957 6.643 1.00 0.48 H new ATOM 0 HG2 LYS A 128 6.526 -8.759 5.402 1.00 1.07 H new ATOM 0 HG3 LYS A 128 7.732 -8.682 4.133 1.00 1.07 H new ATOM 0 HD2 LYS A 128 9.501 -9.396 5.666 1.00 1.02 H new ATOM 0 HD3 LYS A 128 8.436 -9.249 7.050 1.00 1.02 H new ATOM 0 HE2 LYS A 128 6.941 -11.025 6.049 1.00 1.32 H new ATOM 0 HE3 LYS A 128 8.077 -11.204 4.726 1.00 1.32 H new ATOM 0 HZ1 LYS A 128 8.428 -12.873 6.415 1.00 1.53 H new ATOM 0 HZ2 LYS A 128 9.782 -11.854 6.315 1.00 1.53 H new ATOM 0 HZ3 LYS A 128 8.682 -11.681 7.597 1.00 1.53 H new ATOM 1597 N PHE A 129 4.553 -7.088 5.086 1.00 0.42 N ATOM 1598 CA PHE A 129 3.291 -7.610 5.609 1.00 0.42 C ATOM 1599 C PHE A 129 3.263 -9.132 5.338 1.00 0.47 C ATOM 1600 O PHE A 129 3.528 -9.554 4.208 1.00 0.49 O ATOM 1601 CB PHE A 129 2.130 -6.860 4.915 1.00 0.37 C ATOM 1602 CG PHE A 129 1.952 -5.387 5.271 1.00 0.37 C ATOM 1603 CD1 PHE A 129 2.941 -4.444 4.940 1.00 1.70 C ATOM 1604 CD2 PHE A 129 0.776 -4.933 5.897 1.00 1.58 C ATOM 1605 CE1 PHE A 129 2.803 -3.107 5.332 1.00 1.75 C ATOM 1606 CE2 PHE A 129 0.616 -3.584 6.260 1.00 1.56 C ATOM 1607 CZ PHE A 129 1.640 -2.667 5.988 1.00 0.45 C ATOM 0 H PHE A 129 4.708 -7.373 4.119 1.00 0.42 H new ATOM 0 HA PHE A 129 3.188 -7.454 6.683 1.00 0.42 H new ATOM 0 HB2 PHE A 129 2.274 -6.934 3.837 1.00 0.37 H new ATOM 0 HB3 PHE A 129 1.201 -7.381 5.149 1.00 0.37 H new ATOM 0 HD1 PHE A 129 3.812 -4.753 4.380 1.00 1.70 H new ATOM 0 HD2 PHE A 129 -0.019 -5.634 6.103 1.00 1.58 H new ATOM 0 HE1 PHE A 129 3.599 -2.406 5.128 1.00 1.75 H new ATOM 0 HE2 PHE A 129 -0.291 -3.256 6.746 1.00 1.56 H new ATOM 0 HZ PHE A 129 1.537 -1.632 6.279 1.00 0.45 H new ATOM 1617 N ASN A 130 2.965 -9.974 6.335 1.00 0.58 N ATOM 1618 CA ASN A 130 2.969 -11.440 6.196 1.00 0.66 C ATOM 1619 C ASN A 130 1.572 -11.947 5.794 1.00 0.67 C ATOM 1620 O ASN A 130 0.660 -12.066 6.613 1.00 1.04 O ATOM 1621 CB ASN A 130 3.496 -12.061 7.501 1.00 0.89 C ATOM 1622 CG ASN A 130 3.652 -13.573 7.432 1.00 1.24 C ATOM 1623 OD1 ASN A 130 4.679 -14.115 7.036 1.00 2.02 O ATOM 1624 ND2 ASN A 130 2.643 -14.311 7.826 1.00 1.29 N ATOM 0 H ASN A 130 2.712 -9.656 7.271 1.00 0.58 H new ATOM 0 HA ASN A 130 3.638 -11.749 5.393 1.00 0.66 H new ATOM 0 HB2 ASN A 130 4.460 -11.615 7.743 1.00 0.89 H new ATOM 0 HB3 ASN A 130 2.815 -11.810 8.315 1.00 0.89 H new ATOM 0 HD21 ASN A 130 2.715 -15.328 7.802 1.00 1.29 H new ATOM 0 HD22 ASN A 130 1.786 -13.868 8.157 1.00 1.29 H new ATOM 1631 N THR A 131 1.401 -12.268 4.514 1.00 0.58 N ATOM 1632 CA THR A 131 0.114 -12.617 3.894 1.00 0.56 C ATOM 1633 C THR A 131 -0.293 -14.073 4.102 1.00 0.59 C ATOM 1634 O THR A 131 -1.385 -14.464 3.690 1.00 0.65 O ATOM 1635 CB THR A 131 0.123 -12.294 2.392 1.00 0.58 C ATOM 1636 OG1 THR A 131 1.271 -12.846 1.788 1.00 0.60 O ATOM 1637 CG2 THR A 131 0.160 -10.791 2.139 1.00 0.60 C ATOM 0 H THR A 131 2.177 -12.295 3.853 1.00 0.58 H new ATOM 0 HA THR A 131 -0.630 -12.004 4.402 1.00 0.56 H new ATOM 0 HB THR A 131 -0.790 -12.715 1.972 1.00 0.58 H new ATOM 0 HG1 THR A 131 1.269 -12.637 0.830 1.00 0.60 H new ATOM 0 HG21 THR A 131 0.165 -10.603 1.065 1.00 0.60 H new ATOM 0 HG22 THR A 131 -0.719 -10.325 2.585 1.00 0.60 H new ATOM 0 HG23 THR A 131 1.060 -10.369 2.586 1.00 0.60 H new ATOM 1645 N ALA A 132 0.529 -14.870 4.791 1.00 0.60 N ATOM 1646 CA ALA A 132 0.187 -16.233 5.200 1.00 0.58 C ATOM 1647 C ALA A 132 -1.113 -16.306 6.020 1.00 0.62 C ATOM 1648 O ALA A 132 -1.840 -17.295 5.950 1.00 0.88 O ATOM 1649 CB ALA A 132 1.339 -16.777 6.049 1.00 0.63 C ATOM 0 H ALA A 132 1.463 -14.582 5.084 1.00 0.60 H new ATOM 0 HA ALA A 132 0.029 -16.823 4.297 1.00 0.58 H new ATOM 0 HB1 ALA A 132 1.108 -17.794 6.367 1.00 0.63 H new ATOM 0 HB2 ALA A 132 2.256 -16.781 5.459 1.00 0.63 H new ATOM 0 HB3 ALA A 132 1.475 -16.144 6.926 1.00 0.63 H new ATOM 1655 N ASN A 133 -1.401 -15.256 6.798 1.00 0.65 N ATOM 1656 CA ASN A 133 -2.511 -15.221 7.742 1.00 0.85 C ATOM 1657 C ASN A 133 -3.845 -14.836 7.076 1.00 0.78 C ATOM 1658 O ASN A 133 -4.915 -15.182 7.587 1.00 0.88 O ATOM 1659 CB ASN A 133 -2.110 -14.276 8.886 1.00 1.16 C ATOM 1660 CG ASN A 133 -0.910 -14.790 9.644 1.00 1.01 C ATOM 1661 OD1 ASN A 133 0.205 -14.299 9.513 1.00 1.93 O ATOM 1662 ND2 ASN A 133 -1.090 -15.832 10.415 1.00 1.49 N ATOM 0 H ASN A 133 -0.856 -14.394 6.785 1.00 0.65 H new ATOM 0 HA ASN A 133 -2.696 -16.218 8.140 1.00 0.85 H new ATOM 0 HB2 ASN A 133 -1.888 -13.289 8.481 1.00 1.16 H new ATOM 0 HB3 ASN A 133 -2.949 -14.158 9.571 1.00 1.16 H new ATOM 0 HD21 ASN A 133 -0.299 -16.241 10.912 1.00 1.49 H new ATOM 0 HD22 ASN A 133 -2.021 -16.235 10.519 1.00 1.49 H new ATOM 1669 N LEU A 134 -3.792 -14.187 5.908 1.00 0.64 N ATOM 1670 CA LEU A 134 -4.964 -13.846 5.118 1.00 0.61 C ATOM 1671 C LEU A 134 -5.575 -15.058 4.395 1.00 0.65 C ATOM 1672 O LEU A 134 -4.835 -15.940 3.943 1.00 0.67 O ATOM 1673 CB LEU A 134 -4.590 -12.774 4.072 1.00 0.52 C ATOM 1674 CG LEU A 134 -4.564 -11.303 4.517 1.00 0.56 C ATOM 1675 CD1 LEU A 134 -5.624 -10.957 5.556 1.00 0.68 C ATOM 1676 CD2 LEU A 134 -3.204 -10.879 5.051 1.00 0.55 C ATOM 0 H LEU A 134 -2.916 -13.882 5.484 1.00 0.64 H new ATOM 0 HA LEU A 134 -5.713 -13.468 5.814 1.00 0.61 H new ATOM 0 HB2 LEU A 134 -3.603 -13.021 3.680 1.00 0.52 H new ATOM 0 HB3 LEU A 134 -5.292 -12.859 3.243 1.00 0.52 H new ATOM 0 HG LEU A 134 -4.787 -10.749 3.605 1.00 0.56 H new ATOM 0 HD11 LEU A 134 -5.543 -9.903 5.821 1.00 0.68 H new ATOM 0 HD12 LEU A 134 -6.614 -11.153 5.145 1.00 0.68 H new ATOM 0 HD13 LEU A 134 -5.473 -11.567 6.447 1.00 0.68 H new ATOM 0 HD21 LEU A 134 -3.241 -9.832 5.351 1.00 0.55 H new ATOM 0 HD22 LEU A 134 -2.943 -11.494 5.912 1.00 0.55 H new ATOM 0 HD23 LEU A 134 -2.452 -11.007 4.273 1.00 0.55 H new ATOM 1688 N PRO A 135 -6.911 -15.114 4.243 1.00 0.71 N ATOM 1689 CA PRO A 135 -7.562 -16.062 3.346 1.00 0.77 C ATOM 1690 C PRO A 135 -7.386 -15.640 1.880 1.00 0.67 C ATOM 1691 O PRO A 135 -6.988 -14.512 1.569 1.00 0.57 O ATOM 1692 CB PRO A 135 -9.035 -16.075 3.752 1.00 0.89 C ATOM 1693 CG PRO A 135 -9.258 -14.658 4.288 1.00 0.86 C ATOM 1694 CD PRO A 135 -7.906 -14.279 4.906 1.00 0.77 C ATOM 0 HA PRO A 135 -7.124 -17.057 3.426 1.00 0.77 H new ATOM 0 HB2 PRO A 135 -9.685 -16.293 2.905 1.00 0.89 H new ATOM 0 HB3 PRO A 135 -9.238 -16.830 4.511 1.00 0.89 H new ATOM 0 HG2 PRO A 135 -9.540 -13.970 3.491 1.00 0.86 H new ATOM 0 HG3 PRO A 135 -10.057 -14.632 5.029 1.00 0.86 H new ATOM 0 HD2 PRO A 135 -7.691 -13.221 4.754 1.00 0.77 H new ATOM 0 HD3 PRO A 135 -7.907 -14.453 5.982 1.00 0.77 H new ATOM 1702 N ALA A 136 -7.729 -16.548 0.972 1.00 0.77 N ATOM 1703 CA ALA A 136 -7.661 -16.353 -0.467 1.00 0.79 C ATOM 1704 C ALA A 136 -8.757 -15.378 -0.927 1.00 0.81 C ATOM 1705 O ALA A 136 -9.902 -15.773 -1.162 1.00 1.09 O ATOM 1706 CB ALA A 136 -7.787 -17.742 -1.092 1.00 0.93 C ATOM 0 H ALA A 136 -8.074 -17.472 1.230 1.00 0.77 H new ATOM 0 HA ALA A 136 -6.722 -15.897 -0.781 1.00 0.79 H new ATOM 0 HB1 ALA A 136 -7.742 -17.658 -2.178 1.00 0.93 H new ATOM 0 HB2 ALA A 136 -6.970 -18.373 -0.743 1.00 0.93 H new ATOM 0 HB3 ALA A 136 -8.739 -18.187 -0.801 1.00 0.93 H new ATOM 1712 N ALA A 137 -8.416 -14.088 -0.983 1.00 0.63 N ATOM 1713 CA ALA A 137 -9.353 -13.015 -1.288 1.00 0.65 C ATOM 1714 C ALA A 137 -8.693 -11.818 -2.007 1.00 0.55 C ATOM 1715 O ALA A 137 -7.469 -11.750 -2.174 1.00 0.53 O ATOM 1716 CB ALA A 137 -9.995 -12.594 0.041 1.00 0.77 C ATOM 0 H ALA A 137 -7.465 -13.759 -0.814 1.00 0.63 H new ATOM 0 HA ALA A 137 -10.104 -13.375 -1.991 1.00 0.65 H new ATOM 0 HB1 ALA A 137 -10.708 -11.789 -0.138 1.00 0.77 H new ATOM 0 HB2 ALA A 137 -10.513 -13.446 0.481 1.00 0.77 H new ATOM 0 HB3 ALA A 137 -9.221 -12.248 0.726 1.00 0.77 H new ATOM 1722 N LYS A 138 -9.527 -10.847 -2.401 1.00 0.53 N ATOM 1723 CA LYS A 138 -9.144 -9.518 -2.904 1.00 0.48 C ATOM 1724 C LYS A 138 -9.145 -8.513 -1.740 1.00 0.44 C ATOM 1725 O LYS A 138 -9.950 -8.627 -0.816 1.00 0.48 O ATOM 1726 CB LYS A 138 -10.101 -9.108 -4.039 1.00 0.54 C ATOM 1727 CG LYS A 138 -9.989 -10.034 -5.271 1.00 0.76 C ATOM 1728 CD LYS A 138 -11.171 -9.965 -6.255 1.00 1.16 C ATOM 1729 CE LYS A 138 -12.550 -10.163 -5.596 1.00 2.91 C ATOM 1730 NZ LYS A 138 -13.622 -10.402 -6.594 1.00 3.55 N ATOM 0 H LYS A 138 -10.539 -10.972 -2.377 1.00 0.53 H new ATOM 0 HA LYS A 138 -8.136 -9.537 -3.317 1.00 0.48 H new ATOM 0 HB2 LYS A 138 -11.126 -9.124 -3.669 1.00 0.54 H new ATOM 0 HB3 LYS A 138 -9.886 -8.082 -4.339 1.00 0.54 H new ATOM 0 HG2 LYS A 138 -9.074 -9.786 -5.809 1.00 0.76 H new ATOM 0 HG3 LYS A 138 -9.886 -11.062 -4.924 1.00 0.76 H new ATOM 0 HD2 LYS A 138 -11.156 -8.998 -6.757 1.00 1.16 H new ATOM 0 HD3 LYS A 138 -11.035 -10.726 -7.024 1.00 1.16 H new ATOM 0 HE2 LYS A 138 -12.503 -11.006 -4.907 1.00 2.91 H new ATOM 0 HE3 LYS A 138 -12.797 -9.282 -5.004 1.00 2.91 H new ATOM 0 HZ1 LYS A 138 -14.530 -10.529 -6.104 1.00 3.55 H new ATOM 0 HZ2 LYS A 138 -13.686 -9.587 -7.236 1.00 3.55 H new ATOM 0 HZ3 LYS A 138 -13.401 -11.258 -7.142 1.00 3.55 H new ATOM 1744 N TYR A 139 -8.255 -7.524 -1.786 1.00 0.42 N ATOM 1745 CA TYR A 139 -7.950 -6.594 -0.689 1.00 0.36 C ATOM 1746 C TYR A 139 -7.656 -5.189 -1.242 1.00 0.35 C ATOM 1747 O TYR A 139 -7.461 -5.011 -2.449 1.00 0.40 O ATOM 1748 CB TYR A 139 -6.720 -7.100 0.086 1.00 0.39 C ATOM 1749 CG TYR A 139 -6.905 -8.429 0.783 1.00 0.40 C ATOM 1750 CD1 TYR A 139 -7.418 -8.468 2.093 1.00 0.45 C ATOM 1751 CD2 TYR A 139 -6.568 -9.625 0.118 1.00 0.41 C ATOM 1752 CE1 TYR A 139 -7.638 -9.711 2.716 1.00 0.49 C ATOM 1753 CE2 TYR A 139 -6.774 -10.863 0.751 1.00 0.45 C ATOM 1754 CZ TYR A 139 -7.327 -10.902 2.043 1.00 0.48 C ATOM 1755 OH TYR A 139 -7.577 -12.082 2.654 1.00 0.55 O ATOM 0 H TYR A 139 -7.701 -7.337 -2.622 1.00 0.42 H new ATOM 0 HA TYR A 139 -8.813 -6.541 -0.025 1.00 0.36 H new ATOM 0 HB2 TYR A 139 -5.882 -7.184 -0.606 1.00 0.39 H new ATOM 0 HB3 TYR A 139 -6.445 -6.352 0.830 1.00 0.39 H new ATOM 0 HD1 TYR A 139 -7.641 -7.550 2.617 1.00 0.45 H new ATOM 0 HD2 TYR A 139 -6.152 -9.590 -0.878 1.00 0.41 H new ATOM 0 HE1 TYR A 139 -8.047 -9.748 3.715 1.00 0.49 H new ATOM 0 HE2 TYR A 139 -6.509 -11.781 0.247 1.00 0.45 H new ATOM 0 HH TYR A 139 -7.281 -12.818 2.078 1.00 0.55 H new ATOM 1765 N LYS A 140 -7.561 -4.190 -0.357 1.00 0.32 N ATOM 1766 CA LYS A 140 -7.105 -2.830 -0.690 1.00 0.31 C ATOM 1767 C LYS A 140 -6.156 -2.242 0.355 1.00 0.28 C ATOM 1768 O LYS A 140 -6.167 -2.668 1.509 1.00 0.35 O ATOM 1769 CB LYS A 140 -8.303 -1.890 -0.934 1.00 0.36 C ATOM 1770 CG LYS A 140 -9.087 -2.238 -2.189 1.00 0.42 C ATOM 1771 CD LYS A 140 -10.037 -1.100 -2.562 1.00 0.67 C ATOM 1772 CE LYS A 140 -10.869 -1.630 -3.725 1.00 0.86 C ATOM 1773 NZ LYS A 140 -11.349 -0.555 -4.623 1.00 2.08 N ATOM 0 H LYS A 140 -7.802 -4.303 0.628 1.00 0.32 H new ATOM 0 HA LYS A 140 -6.532 -2.917 -1.613 1.00 0.31 H new ATOM 0 HB2 LYS A 140 -8.970 -1.930 -0.073 1.00 0.36 H new ATOM 0 HB3 LYS A 140 -7.943 -0.864 -1.010 1.00 0.36 H new ATOM 0 HG2 LYS A 140 -8.399 -2.430 -3.013 1.00 0.42 H new ATOM 0 HG3 LYS A 140 -9.654 -3.155 -2.028 1.00 0.42 H new ATOM 0 HD2 LYS A 140 -10.671 -0.825 -1.719 1.00 0.67 H new ATOM 0 HD3 LYS A 140 -9.484 -0.206 -2.850 1.00 0.67 H new ATOM 0 HE2 LYS A 140 -10.272 -2.338 -4.300 1.00 0.86 H new ATOM 0 HE3 LYS A 140 -11.725 -2.179 -3.333 1.00 0.86 H new ATOM 0 HZ1 LYS A 140 -11.908 -0.971 -5.395 1.00 2.08 H new ATOM 0 HZ2 LYS A 140 -11.942 0.108 -4.084 1.00 2.08 H new ATOM 0 HZ3 LYS A 140 -10.534 -0.046 -5.021 1.00 2.08 H new ATOM 1787 N ILE A 141 -5.377 -1.230 -0.026 1.00 0.31 N ATOM 1788 CA ILE A 141 -4.521 -0.436 0.874 1.00 0.30 C ATOM 1789 C ILE A 141 -4.963 1.038 0.852 1.00 0.31 C ATOM 1790 O ILE A 141 -5.334 1.563 -0.199 1.00 0.35 O ATOM 1791 CB ILE A 141 -3.018 -0.617 0.534 1.00 0.31 C ATOM 1792 CG1 ILE A 141 -2.557 -2.094 0.588 1.00 0.36 C ATOM 1793 CG2 ILE A 141 -2.099 0.177 1.477 1.00 0.29 C ATOM 1794 CD1 ILE A 141 -2.573 -2.756 -0.791 1.00 0.47 C ATOM 0 H ILE A 141 -5.318 -0.926 -0.998 1.00 0.31 H new ATOM 0 HA ILE A 141 -4.643 -0.801 1.894 1.00 0.30 H new ATOM 0 HB ILE A 141 -2.932 -0.240 -0.485 1.00 0.31 H new ATOM 0 HG12 ILE A 141 -1.549 -2.143 1.001 1.00 0.36 H new ATOM 0 HG13 ILE A 141 -3.206 -2.651 1.264 1.00 0.36 H new ATOM 0 HG21 ILE A 141 -1.059 0.014 1.194 1.00 0.29 H new ATOM 0 HG22 ILE A 141 -2.333 1.239 1.404 1.00 0.29 H new ATOM 0 HG23 ILE A 141 -2.253 -0.159 2.503 1.00 0.29 H new ATOM 0 HD11 ILE A 141 -2.242 -3.791 -0.702 1.00 0.47 H new ATOM 0 HD12 ILE A 141 -3.585 -2.732 -1.194 1.00 0.47 H new ATOM 0 HD13 ILE A 141 -1.903 -2.217 -1.461 1.00 0.47 H new ATOM 1806 N TYR A 142 -4.914 1.692 2.017 1.00 0.32 N ATOM 1807 CA TYR A 142 -5.258 3.104 2.241 1.00 0.34 C ATOM 1808 C TYR A 142 -4.131 3.818 3.008 1.00 0.34 C ATOM 1809 O TYR A 142 -3.470 3.194 3.836 1.00 0.41 O ATOM 1810 CB TYR A 142 -6.593 3.187 3.003 1.00 0.37 C ATOM 1811 CG TYR A 142 -7.815 2.946 2.143 1.00 0.36 C ATOM 1812 CD1 TYR A 142 -8.182 1.649 1.732 1.00 1.65 C ATOM 1813 CD2 TYR A 142 -8.601 4.044 1.761 1.00 1.90 C ATOM 1814 CE1 TYR A 142 -9.333 1.449 0.951 1.00 1.66 C ATOM 1815 CE2 TYR A 142 -9.756 3.851 0.991 1.00 1.90 C ATOM 1816 CZ TYR A 142 -10.126 2.554 0.584 1.00 0.37 C ATOM 1817 OH TYR A 142 -11.243 2.383 -0.163 1.00 0.42 O ATOM 0 H TYR A 142 -4.618 1.228 2.876 1.00 0.32 H new ATOM 0 HA TYR A 142 -5.371 3.609 1.281 1.00 0.34 H new ATOM 0 HB2 TYR A 142 -6.582 2.457 3.812 1.00 0.37 H new ATOM 0 HB3 TYR A 142 -6.675 4.172 3.463 1.00 0.37 H new ATOM 0 HD1 TYR A 142 -7.575 0.803 2.019 1.00 1.65 H new ATOM 0 HD2 TYR A 142 -8.315 5.041 2.061 1.00 1.90 H new ATOM 0 HE1 TYR A 142 -9.608 0.454 0.634 1.00 1.66 H new ATOM 0 HE2 TYR A 142 -10.364 4.698 0.709 1.00 1.90 H new ATOM 0 HH TYR A 142 -11.789 3.196 -0.125 1.00 0.42 H new ATOM 1827 N GLU A 143 -3.903 5.110 2.752 1.00 0.46 N ATOM 1828 CA GLU A 143 -2.801 5.901 3.339 1.00 0.48 C ATOM 1829 C GLU A 143 -3.330 6.924 4.357 1.00 0.52 C ATOM 1830 O GLU A 143 -4.187 7.746 4.023 1.00 0.71 O ATOM 1831 CB GLU A 143 -2.002 6.586 2.217 1.00 0.58 C ATOM 1832 CG GLU A 143 -0.723 7.254 2.734 1.00 0.71 C ATOM 1833 CD GLU A 143 0.043 7.933 1.596 1.00 0.83 C ATOM 1834 OE1 GLU A 143 0.691 7.230 0.793 1.00 1.59 O ATOM 1835 OE2 GLU A 143 0.045 9.185 1.502 1.00 1.87 O ATOM 0 H GLU A 143 -4.489 5.653 2.118 1.00 0.46 H new ATOM 0 HA GLU A 143 -2.135 5.229 3.881 1.00 0.48 H new ATOM 0 HB2 GLU A 143 -1.742 5.849 1.458 1.00 0.58 H new ATOM 0 HB3 GLU A 143 -2.629 7.334 1.733 1.00 0.58 H new ATOM 0 HG2 GLU A 143 -0.976 7.991 3.496 1.00 0.71 H new ATOM 0 HG3 GLU A 143 -0.087 6.508 3.211 1.00 0.71 H new ATOM 1842 N ILE A 144 -2.827 6.886 5.595 1.00 0.66 N ATOM 1843 CA ILE A 144 -3.377 7.647 6.729 1.00 0.65 C ATOM 1844 C ILE A 144 -2.255 8.449 7.413 1.00 0.70 C ATOM 1845 O ILE A 144 -1.546 7.933 8.274 1.00 0.75 O ATOM 1846 CB ILE A 144 -4.085 6.669 7.707 1.00 0.60 C ATOM 1847 CG1 ILE A 144 -5.100 5.694 7.051 1.00 0.58 C ATOM 1848 CG2 ILE A 144 -4.740 7.448 8.861 1.00 0.65 C ATOM 1849 CD1 ILE A 144 -6.342 6.295 6.370 1.00 0.59 C ATOM 0 H ILE A 144 -2.016 6.320 5.844 1.00 0.66 H new ATOM 0 HA ILE A 144 -4.119 8.365 6.381 1.00 0.65 H new ATOM 0 HB ILE A 144 -3.294 6.025 8.090 1.00 0.60 H new ATOM 0 HG12 ILE A 144 -4.564 5.104 6.307 1.00 0.58 H new ATOM 0 HG13 ILE A 144 -5.443 5.002 7.820 1.00 0.58 H new ATOM 0 HG21 ILE A 144 -5.232 6.750 9.538 1.00 0.65 H new ATOM 0 HG22 ILE A 144 -3.976 8.003 9.405 1.00 0.65 H new ATOM 0 HG23 ILE A 144 -5.477 8.143 8.459 1.00 0.65 H new ATOM 0 HD11 ILE A 144 -6.955 5.493 5.959 1.00 0.59 H new ATOM 0 HD12 ILE A 144 -6.922 6.857 7.102 1.00 0.59 H new ATOM 0 HD13 ILE A 144 -6.029 6.961 5.566 1.00 0.59 H new ATOM 1861 N HIS A 145 -2.132 9.745 7.104 1.00 0.82 N ATOM 1862 CA HIS A 145 -1.009 10.593 7.555 1.00 0.92 C ATOM 1863 C HIS A 145 -1.040 10.981 9.059 1.00 0.98 C ATOM 1864 O HIS A 145 -0.172 11.711 9.545 1.00 1.23 O ATOM 1865 CB HIS A 145 -0.892 11.804 6.607 1.00 1.15 C ATOM 1866 CG HIS A 145 0.397 12.579 6.750 1.00 2.17 C ATOM 1867 ND1 HIS A 145 0.552 13.785 7.394 1.00 3.25 N ATOM 1868 CD2 HIS A 145 1.639 12.194 6.319 1.00 3.20 C ATOM 1869 CE1 HIS A 145 1.855 14.100 7.398 1.00 4.50 C ATOM 1870 NE2 HIS A 145 2.561 13.171 6.728 1.00 4.53 N ATOM 0 H HIS A 145 -2.811 10.244 6.530 1.00 0.82 H new ATOM 0 HA HIS A 145 -0.099 9.997 7.493 1.00 0.92 H new ATOM 0 HB2 HIS A 145 -0.981 11.456 5.578 1.00 1.15 H new ATOM 0 HB3 HIS A 145 -1.730 12.477 6.790 1.00 1.15 H new ATOM 0 HD2 HIS A 145 1.869 11.297 5.763 1.00 3.20 H new ATOM 0 HE1 HIS A 145 2.277 14.974 7.871 1.00 4.50 H new ATOM 0 HE2 HIS A 145 3.566 13.176 6.552 1.00 4.53 H new ATOM 1878 N SER A 146 -2.003 10.460 9.832 1.00 0.97 N ATOM 1879 CA SER A 146 -2.064 10.604 11.299 1.00 1.23 C ATOM 1880 C SER A 146 -0.805 10.057 11.995 1.00 1.40 C ATOM 1881 O SER A 146 -0.393 10.576 13.037 1.00 1.75 O ATOM 1882 CB SER A 146 -3.286 9.866 11.864 1.00 1.60 C ATOM 1883 OG SER A 146 -4.468 10.170 11.142 1.00 1.60 O ATOM 0 H SER A 146 -2.777 9.916 9.451 1.00 0.97 H new ATOM 0 HA SER A 146 -2.137 11.673 11.498 1.00 1.23 H new ATOM 0 HB2 SER A 146 -3.108 8.791 11.832 1.00 1.60 H new ATOM 0 HB3 SER A 146 -3.421 10.136 12.911 1.00 1.60 H new ATOM 0 HG SER A 146 -5.223 9.681 11.530 1.00 1.60 H new ATOM 2086 N LYS A 162 -2.606 14.125 -2.793 1.00 1.21 N ATOM 2087 CA LYS A 162 -3.502 13.104 -2.205 1.00 1.19 C ATOM 2088 C LYS A 162 -3.344 11.715 -2.853 1.00 1.04 C ATOM 2089 O LYS A 162 -3.565 11.576 -4.060 1.00 1.28 O ATOM 2090 CB LYS A 162 -4.945 13.661 -2.301 1.00 1.42 C ATOM 2091 CG LYS A 162 -5.925 13.222 -1.197 1.00 1.91 C ATOM 2092 CD LYS A 162 -6.375 11.758 -1.259 1.00 2.27 C ATOM 2093 CE LYS A 162 -7.111 11.374 -2.551 1.00 1.72 C ATOM 2094 NZ LYS A 162 -8.461 11.978 -2.635 1.00 1.87 N ATOM 0 HA LYS A 162 -3.237 12.929 -1.162 1.00 1.19 H new ATOM 0 HB2 LYS A 162 -4.892 14.750 -2.297 1.00 1.42 H new ATOM 0 HB3 LYS A 162 -5.361 13.366 -3.264 1.00 1.42 H new ATOM 0 HG2 LYS A 162 -5.457 13.400 -0.229 1.00 1.91 H new ATOM 0 HG3 LYS A 162 -6.809 13.858 -1.246 1.00 1.91 H new ATOM 0 HD2 LYS A 162 -5.500 11.117 -1.149 1.00 2.27 H new ATOM 0 HD3 LYS A 162 -7.027 11.555 -0.410 1.00 2.27 H new ATOM 0 HE2 LYS A 162 -6.520 11.692 -3.410 1.00 1.72 H new ATOM 0 HE3 LYS A 162 -7.198 10.289 -2.607 1.00 1.72 H new ATOM 0 HZ1 LYS A 162 -8.806 11.922 -3.614 1.00 1.87 H new ATOM 0 HZ2 LYS A 162 -9.112 11.462 -2.008 1.00 1.87 H new ATOM 0 HZ3 LYS A 162 -8.414 12.975 -2.341 1.00 1.87 H new ATOM 2108 N ALA A 163 -2.964 10.700 -2.068 1.00 0.82 N ATOM 2109 CA ALA A 163 -2.882 9.294 -2.488 1.00 0.68 C ATOM 2110 C ALA A 163 -4.261 8.653 -2.749 1.00 0.60 C ATOM 2111 O ALA A 163 -5.258 9.012 -2.134 1.00 0.68 O ATOM 2112 CB ALA A 163 -2.069 8.488 -1.465 1.00 0.80 C ATOM 0 H ALA A 163 -2.697 10.837 -1.093 1.00 0.82 H new ATOM 0 HA ALA A 163 -2.367 9.274 -3.448 1.00 0.68 H new ATOM 0 HB1 ALA A 163 -2.013 7.447 -1.784 1.00 0.80 H new ATOM 0 HB2 ALA A 163 -1.063 8.900 -1.394 1.00 0.80 H new ATOM 0 HB3 ALA A 163 -2.554 8.543 -0.490 1.00 0.80 H new ATOM 2118 N VAL A 164 -4.322 7.681 -3.658 1.00 0.54 N ATOM 2119 CA VAL A 164 -5.564 6.982 -4.056 1.00 0.49 C ATOM 2120 C VAL A 164 -5.491 5.476 -3.746 1.00 0.49 C ATOM 2121 O VAL A 164 -4.385 4.934 -3.664 1.00 0.56 O ATOM 2122 CB VAL A 164 -5.972 7.299 -5.513 1.00 0.50 C ATOM 2123 CG1 VAL A 164 -6.921 8.505 -5.540 1.00 0.64 C ATOM 2124 CG2 VAL A 164 -4.780 7.626 -6.418 1.00 0.63 C ATOM 0 H VAL A 164 -3.497 7.343 -4.154 1.00 0.54 H new ATOM 0 HA VAL A 164 -6.375 7.374 -3.442 1.00 0.49 H new ATOM 0 HB VAL A 164 -6.453 6.397 -5.892 1.00 0.50 H new ATOM 0 HG11 VAL A 164 -7.204 8.722 -6.570 1.00 0.64 H new ATOM 0 HG12 VAL A 164 -7.814 8.278 -4.958 1.00 0.64 H new ATOM 0 HG13 VAL A 164 -6.419 9.372 -5.111 1.00 0.64 H new ATOM 0 HG21 VAL A 164 -5.136 7.839 -7.426 1.00 0.63 H new ATOM 0 HG22 VAL A 164 -4.255 8.498 -6.027 1.00 0.63 H new ATOM 0 HG23 VAL A 164 -4.100 6.775 -6.446 1.00 0.63 H new ATOM 2134 N PRO A 165 -6.632 4.788 -3.529 1.00 0.51 N ATOM 2135 CA PRO A 165 -6.651 3.441 -2.957 1.00 0.56 C ATOM 2136 C PRO A 165 -6.219 2.342 -3.932 1.00 0.51 C ATOM 2137 O PRO A 165 -6.716 2.224 -5.057 1.00 0.74 O ATOM 2138 CB PRO A 165 -8.063 3.243 -2.405 1.00 0.63 C ATOM 2139 CG PRO A 165 -8.926 4.159 -3.273 1.00 0.61 C ATOM 2140 CD PRO A 165 -7.990 5.283 -3.717 1.00 0.57 C ATOM 0 HA PRO A 165 -5.906 3.354 -2.166 1.00 0.56 H new ATOM 0 HB2 PRO A 165 -8.380 2.203 -2.482 1.00 0.63 H new ATOM 0 HB3 PRO A 165 -8.123 3.517 -1.352 1.00 0.63 H new ATOM 0 HG2 PRO A 165 -9.332 3.622 -4.130 1.00 0.61 H new ATOM 0 HG3 PRO A 165 -9.774 4.551 -2.711 1.00 0.61 H new ATOM 0 HD2 PRO A 165 -8.166 5.546 -4.760 1.00 0.57 H new ATOM 0 HD3 PRO A 165 -8.159 6.185 -3.128 1.00 0.57 H new ATOM 2148 N ILE A 166 -5.296 1.506 -3.462 1.00 0.42 N ATOM 2149 CA ILE A 166 -4.613 0.464 -4.235 1.00 0.42 C ATOM 2150 C ILE A 166 -5.354 -0.858 -4.062 1.00 0.40 C ATOM 2151 O ILE A 166 -5.624 -1.250 -2.931 1.00 0.46 O ATOM 2152 CB ILE A 166 -3.128 0.320 -3.813 1.00 0.53 C ATOM 2153 CG1 ILE A 166 -2.396 1.665 -3.586 1.00 0.68 C ATOM 2154 CG2 ILE A 166 -2.379 -0.474 -4.893 1.00 0.57 C ATOM 2155 CD1 ILE A 166 -2.496 2.159 -2.136 1.00 1.47 C ATOM 0 H ILE A 166 -4.988 1.535 -2.490 1.00 0.42 H new ATOM 0 HA ILE A 166 -4.620 0.751 -5.287 1.00 0.42 H new ATOM 0 HB ILE A 166 -3.131 -0.195 -2.852 1.00 0.53 H new ATOM 0 HG12 ILE A 166 -1.346 1.552 -3.855 1.00 0.68 H new ATOM 0 HG13 ILE A 166 -2.816 2.419 -4.252 1.00 0.68 H new ATOM 0 HG21 ILE A 166 -1.333 -0.581 -4.606 1.00 0.57 H new ATOM 0 HG22 ILE A 166 -2.830 -1.461 -4.997 1.00 0.57 H new ATOM 0 HG23 ILE A 166 -2.442 0.056 -5.844 1.00 0.57 H new ATOM 0 HD11 ILE A 166 -1.965 3.105 -2.037 1.00 1.47 H new ATOM 0 HD12 ILE A 166 -3.544 2.302 -1.872 1.00 1.47 H new ATOM 0 HD13 ILE A 166 -2.051 1.421 -1.469 1.00 1.47 H new ATOM 2167 N GLU A 167 -5.664 -1.551 -5.156 1.00 0.46 N ATOM 2168 CA GLU A 167 -6.368 -2.844 -5.158 1.00 0.47 C ATOM 2169 C GLU A 167 -5.435 -4.010 -5.515 1.00 0.49 C ATOM 2170 O GLU A 167 -4.697 -3.964 -6.507 1.00 0.61 O ATOM 2171 CB GLU A 167 -7.653 -2.815 -6.018 1.00 0.58 C ATOM 2172 CG GLU A 167 -7.793 -1.686 -7.056 1.00 2.27 C ATOM 2173 CD GLU A 167 -6.675 -1.702 -8.095 1.00 3.35 C ATOM 2174 OE1 GLU A 167 -6.702 -2.576 -8.994 1.00 3.68 O ATOM 2175 OE2 GLU A 167 -5.741 -0.865 -7.994 1.00 4.96 O ATOM 0 H GLU A 167 -5.429 -1.225 -6.093 1.00 0.46 H new ATOM 0 HA GLU A 167 -6.699 -3.023 -4.135 1.00 0.47 H new ATOM 0 HB2 GLU A 167 -7.726 -3.766 -6.545 1.00 0.58 H new ATOM 0 HB3 GLU A 167 -8.507 -2.758 -5.343 1.00 0.58 H new ATOM 0 HG2 GLU A 167 -8.755 -1.779 -7.561 1.00 2.27 H new ATOM 0 HG3 GLU A 167 -7.794 -0.724 -6.543 1.00 2.27 H new ATOM 2182 N ILE A 168 -5.463 -5.058 -4.690 1.00 0.45 N ATOM 2183 CA ILE A 168 -4.516 -6.176 -4.712 1.00 0.45 C ATOM 2184 C ILE A 168 -5.242 -7.518 -4.524 1.00 0.47 C ATOM 2185 O ILE A 168 -6.342 -7.580 -3.966 1.00 0.53 O ATOM 2186 CB ILE A 168 -3.410 -5.910 -3.655 1.00 0.41 C ATOM 2187 CG1 ILE A 168 -2.185 -6.821 -3.868 1.00 0.46 C ATOM 2188 CG2 ILE A 168 -3.936 -6.032 -2.213 1.00 0.36 C ATOM 2189 CD1 ILE A 168 -0.964 -6.430 -3.024 1.00 0.42 C ATOM 0 H ILE A 168 -6.171 -5.156 -3.962 1.00 0.45 H new ATOM 0 HA ILE A 168 -4.032 -6.249 -5.686 1.00 0.45 H new ATOM 0 HB ILE A 168 -3.092 -4.877 -3.799 1.00 0.41 H new ATOM 0 HG12 ILE A 168 -2.463 -7.848 -3.632 1.00 0.46 H new ATOM 0 HG13 ILE A 168 -1.908 -6.800 -4.922 1.00 0.46 H new ATOM 0 HG21 ILE A 168 -3.124 -5.837 -1.512 1.00 0.36 H new ATOM 0 HG22 ILE A 168 -4.735 -5.307 -2.054 1.00 0.36 H new ATOM 0 HG23 ILE A 168 -4.322 -7.038 -2.050 1.00 0.36 H new ATOM 0 HD11 ILE A 168 -0.144 -7.118 -3.230 1.00 0.42 H new ATOM 0 HD12 ILE A 168 -0.658 -5.415 -3.276 1.00 0.42 H new ATOM 0 HD13 ILE A 168 -1.222 -6.479 -1.966 1.00 0.42 H new ATOM 2201 N GLU A 169 -4.633 -8.605 -4.987 1.00 0.50 N ATOM 2202 CA GLU A 169 -5.068 -9.981 -4.730 1.00 0.50 C ATOM 2203 C GLU A 169 -3.844 -10.878 -4.479 1.00 0.59 C ATOM 2204 O GLU A 169 -2.758 -10.628 -5.016 1.00 0.79 O ATOM 2205 CB GLU A 169 -5.946 -10.454 -5.894 1.00 0.57 C ATOM 2206 CG GLU A 169 -6.489 -11.873 -5.703 1.00 0.65 C ATOM 2207 CD GLU A 169 -7.409 -12.306 -6.843 1.00 0.82 C ATOM 2208 OE1 GLU A 169 -7.249 -11.829 -7.994 1.00 1.77 O ATOM 2209 OE2 GLU A 169 -8.278 -13.175 -6.599 1.00 1.89 O ATOM 0 H GLU A 169 -3.797 -8.555 -5.570 1.00 0.50 H new ATOM 0 HA GLU A 169 -5.676 -10.036 -3.827 1.00 0.50 H new ATOM 0 HB2 GLU A 169 -6.782 -9.765 -6.013 1.00 0.57 H new ATOM 0 HB3 GLU A 169 -5.367 -10.415 -6.817 1.00 0.57 H new ATOM 0 HG2 GLU A 169 -5.655 -12.571 -5.629 1.00 0.65 H new ATOM 0 HG3 GLU A 169 -7.034 -11.926 -4.761 1.00 0.65 H new ATOM 2216 N LEU A 170 -4.005 -11.912 -3.650 1.00 0.56 N ATOM 2217 CA LEU A 170 -2.898 -12.715 -3.118 1.00 0.60 C ATOM 2218 C LEU A 170 -2.058 -13.487 -4.156 1.00 0.54 C ATOM 2219 O LEU A 170 -2.571 -13.848 -5.221 1.00 0.57 O ATOM 2220 CB LEU A 170 -3.441 -13.686 -2.062 1.00 0.65 C ATOM 2221 CG LEU A 170 -3.914 -13.030 -0.749 1.00 0.76 C ATOM 2222 CD1 LEU A 170 -4.003 -14.086 0.346 1.00 0.83 C ATOM 2223 CD2 LEU A 170 -3.017 -11.911 -0.205 1.00 1.07 C ATOM 0 H LEU A 170 -4.921 -12.221 -3.324 1.00 0.56 H new ATOM 0 HA LEU A 170 -2.203 -11.992 -2.690 1.00 0.60 H new ATOM 0 HB2 LEU A 170 -4.275 -14.239 -2.494 1.00 0.65 H new ATOM 0 HB3 LEU A 170 -2.664 -14.414 -1.827 1.00 0.65 H new ATOM 0 HG LEU A 170 -4.874 -12.582 -1.005 1.00 0.76 H new ATOM 0 HD11 LEU A 170 -4.337 -13.621 1.273 1.00 0.83 H new ATOM 0 HD12 LEU A 170 -4.714 -14.858 0.050 1.00 0.83 H new ATOM 0 HD13 LEU A 170 -3.022 -14.535 0.499 1.00 0.83 H new ATOM 0 HD21 LEU A 170 -3.442 -11.521 0.720 1.00 1.07 H new ATOM 0 HD22 LEU A 170 -2.021 -12.307 -0.007 1.00 1.07 H new ATOM 0 HD23 LEU A 170 -2.949 -11.109 -0.940 1.00 1.07 H new ATOM 2235 N PRO A 171 -0.777 -13.771 -3.831 1.00 0.53 N ATOM 2236 CA PRO A 171 0.179 -14.304 -4.787 1.00 0.54 C ATOM 2237 C PRO A 171 -0.087 -15.759 -5.157 1.00 0.55 C ATOM 2238 O PRO A 171 0.042 -16.666 -4.335 1.00 0.75 O ATOM 2239 CB PRO A 171 1.566 -14.150 -4.157 1.00 0.59 C ATOM 2240 CG PRO A 171 1.287 -14.109 -2.658 1.00 0.60 C ATOM 2241 CD PRO A 171 -0.087 -13.454 -2.584 1.00 0.62 C ATOM 0 HA PRO A 171 0.096 -13.752 -5.723 1.00 0.54 H new ATOM 0 HB2 PRO A 171 2.218 -14.983 -4.419 1.00 0.59 H new ATOM 0 HB3 PRO A 171 2.060 -13.239 -4.496 1.00 0.59 H new ATOM 0 HG2 PRO A 171 1.282 -15.107 -2.221 1.00 0.60 H new ATOM 0 HG3 PRO A 171 2.040 -13.530 -2.123 1.00 0.60 H new ATOM 0 HD2 PRO A 171 -0.647 -13.828 -1.727 1.00 0.62 H new ATOM 0 HD3 PRO A 171 0.006 -12.375 -2.458 1.00 0.62 H new ATOM 2249 N LEU A 172 -0.386 -15.955 -6.436 1.00 0.66 N ATOM 2250 CA LEU A 172 -0.416 -17.248 -7.126 1.00 0.74 C ATOM 2251 C LEU A 172 0.528 -17.245 -8.357 1.00 1.13 C ATOM 2252 O LEU A 172 0.244 -17.848 -9.396 1.00 1.75 O ATOM 2253 CB LEU A 172 -1.872 -17.646 -7.424 1.00 0.87 C ATOM 2254 CG LEU A 172 -2.052 -19.176 -7.463 1.00 1.20 C ATOM 2255 CD1 LEU A 172 -2.112 -19.779 -6.056 1.00 2.14 C ATOM 2256 CD2 LEU A 172 -3.341 -19.531 -8.195 1.00 2.26 C ATOM 0 H LEU A 172 -0.627 -15.180 -7.054 1.00 0.66 H new ATOM 0 HA LEU A 172 -0.019 -18.031 -6.480 1.00 0.74 H new ATOM 0 HB2 LEU A 172 -2.527 -17.222 -6.663 1.00 0.87 H new ATOM 0 HB3 LEU A 172 -2.177 -17.220 -8.380 1.00 0.87 H new ATOM 0 HG LEU A 172 -1.188 -19.588 -7.984 1.00 1.20 H new ATOM 0 HD11 LEU A 172 -2.239 -20.859 -6.128 1.00 2.14 H new ATOM 0 HD12 LEU A 172 -1.186 -19.558 -5.525 1.00 2.14 H new ATOM 0 HD13 LEU A 172 -2.953 -19.350 -5.512 1.00 2.14 H new ATOM 0 HD21 LEU A 172 -3.460 -20.614 -8.218 1.00 2.26 H new ATOM 0 HD22 LEU A 172 -4.189 -19.084 -7.676 1.00 2.26 H new ATOM 0 HD23 LEU A 172 -3.297 -19.149 -9.215 1.00 2.26 H new ATOM 2268 N ASN A 173 1.644 -16.520 -8.228 1.00 1.06 N ATOM 2269 CA ASN A 173 2.685 -16.256 -9.232 1.00 1.45 C ATOM 2270 C ASN A 173 4.045 -16.852 -8.807 1.00 1.69 C ATOM 2271 O ASN A 173 4.321 -17.011 -7.622 1.00 2.34 O ATOM 2272 CB ASN A 173 2.822 -14.728 -9.394 1.00 1.54 C ATOM 2273 CG ASN A 173 1.920 -14.076 -10.427 1.00 1.55 C ATOM 2274 OD1 ASN A 173 1.444 -14.674 -11.388 1.00 2.68 O ATOM 2275 ND2 ASN A 173 1.714 -12.791 -10.281 1.00 1.28 N ATOM 0 H ASN A 173 1.863 -16.063 -7.343 1.00 1.06 H new ATOM 0 HA ASN A 173 2.397 -16.725 -10.173 1.00 1.45 H new ATOM 0 HB2 ASN A 173 2.627 -14.263 -8.428 1.00 1.54 H new ATOM 0 HB3 ASN A 173 3.857 -14.503 -9.653 1.00 1.54 H new ATOM 0 HD21 ASN A 173 1.156 -12.283 -10.967 1.00 1.28 H new ATOM 0 HD22 ASN A 173 2.111 -12.298 -9.481 1.00 1.28 H new ATOM 2282 N ASP A 174 4.942 -17.103 -9.758 1.00 1.78 N ATOM 2283 CA ASP A 174 6.240 -17.780 -9.578 1.00 2.02 C ATOM 2284 C ASP A 174 7.354 -16.883 -8.978 1.00 1.84 C ATOM 2285 O ASP A 174 8.541 -17.043 -9.276 1.00 2.03 O ATOM 2286 CB ASP A 174 6.643 -18.427 -10.914 1.00 2.49 C ATOM 2287 CG ASP A 174 5.688 -19.551 -11.321 1.00 2.95 C ATOM 2288 OD1 ASP A 174 4.640 -19.269 -11.953 1.00 3.38 O ATOM 2289 OD2 ASP A 174 5.985 -20.738 -11.025 1.00 4.13 O ATOM 0 H ASP A 174 4.782 -16.829 -10.727 1.00 1.78 H new ATOM 0 HA ASP A 174 6.114 -18.554 -8.821 1.00 2.02 H new ATOM 0 HB2 ASP A 174 6.660 -17.666 -11.694 1.00 2.49 H new ATOM 0 HB3 ASP A 174 7.655 -18.823 -10.833 1.00 2.49 H new ATOM 2294 N VAL A 175 6.988 -15.915 -8.135 1.00 1.56 N ATOM 2295 CA VAL A 175 7.909 -15.002 -7.436 1.00 1.48 C ATOM 2296 C VAL A 175 8.281 -15.508 -6.040 1.00 1.42 C ATOM 2297 O VAL A 175 7.539 -16.269 -5.411 1.00 1.40 O ATOM 2298 CB VAL A 175 7.401 -13.548 -7.413 1.00 1.36 C ATOM 2299 CG1 VAL A 175 7.298 -12.976 -8.831 1.00 1.83 C ATOM 2300 CG2 VAL A 175 6.047 -13.405 -6.723 1.00 0.90 C ATOM 0 H VAL A 175 6.010 -15.735 -7.909 1.00 1.56 H new ATOM 0 HA VAL A 175 8.829 -14.994 -8.021 1.00 1.48 H new ATOM 0 HB VAL A 175 8.137 -12.986 -6.838 1.00 1.36 H new ATOM 0 HG11 VAL A 175 6.937 -11.949 -8.784 1.00 1.83 H new ATOM 0 HG12 VAL A 175 8.280 -12.994 -9.303 1.00 1.83 H new ATOM 0 HG13 VAL A 175 6.603 -13.578 -9.417 1.00 1.83 H new ATOM 0 HG21 VAL A 175 5.740 -12.359 -6.737 1.00 0.90 H new ATOM 0 HG22 VAL A 175 5.306 -14.008 -7.248 1.00 0.90 H new ATOM 0 HG23 VAL A 175 6.127 -13.746 -5.691 1.00 0.90 H new ATOM 2310 N VAL A 176 9.443 -15.076 -5.547 1.00 1.46 N ATOM 2311 CA VAL A 176 9.906 -15.334 -4.173 1.00 1.48 C ATOM 2312 C VAL A 176 9.133 -14.460 -3.184 1.00 1.15 C ATOM 2313 O VAL A 176 8.811 -14.906 -2.082 1.00 1.19 O ATOM 2314 CB VAL A 176 11.423 -15.063 -4.054 1.00 1.85 C ATOM 2315 CG1 VAL A 176 11.972 -15.364 -2.654 1.00 2.25 C ATOM 2316 CG2 VAL A 176 12.219 -15.904 -5.060 1.00 2.16 C ATOM 0 H VAL A 176 10.104 -14.527 -6.097 1.00 1.46 H new ATOM 0 HA VAL A 176 9.722 -16.382 -3.935 1.00 1.48 H new ATOM 0 HB VAL A 176 11.544 -14.000 -4.262 1.00 1.85 H new ATOM 0 HG11 VAL A 176 13.042 -15.155 -2.630 1.00 2.25 H new ATOM 0 HG12 VAL A 176 11.463 -14.737 -1.921 1.00 2.25 H new ATOM 0 HG13 VAL A 176 11.802 -16.414 -2.414 1.00 2.25 H new ATOM 0 HG21 VAL A 176 13.282 -15.691 -4.951 1.00 2.16 H new ATOM 0 HG22 VAL A 176 12.040 -16.963 -4.872 1.00 2.16 H new ATOM 0 HG23 VAL A 176 11.901 -15.657 -6.073 1.00 2.16 H new ATOM 2326 N ASP A 177 8.805 -13.230 -3.585 1.00 0.95 N ATOM 2327 CA ASP A 177 8.172 -12.203 -2.750 1.00 0.84 C ATOM 2328 C ASP A 177 7.340 -11.238 -3.614 1.00 0.56 C ATOM 2329 O ASP A 177 7.721 -10.956 -4.757 1.00 0.62 O ATOM 2330 CB ASP A 177 9.285 -11.441 -2.012 1.00 1.11 C ATOM 2331 CG ASP A 177 8.894 -10.927 -0.628 1.00 2.11 C ATOM 2332 OD1 ASP A 177 7.714 -11.017 -0.223 1.00 3.44 O ATOM 2333 OD2 ASP A 177 9.824 -10.494 0.098 1.00 2.72 O ATOM 0 H ASP A 177 8.979 -12.908 -4.537 1.00 0.95 H new ATOM 0 HA ASP A 177 7.495 -12.668 -2.034 1.00 0.84 H new ATOM 0 HB2 ASP A 177 10.150 -12.096 -1.911 1.00 1.11 H new ATOM 0 HB3 ASP A 177 9.596 -10.595 -2.625 1.00 1.11 H new ATOM 2338 N ALA A 178 6.228 -10.719 -3.085 1.00 0.41 N ATOM 2339 CA ALA A 178 5.341 -9.782 -3.790 1.00 0.33 C ATOM 2340 C ALA A 178 5.604 -8.319 -3.394 1.00 0.34 C ATOM 2341 O ALA A 178 6.091 -8.050 -2.291 1.00 0.37 O ATOM 2342 CB ALA A 178 3.884 -10.169 -3.522 1.00 0.52 C ATOM 0 H ALA A 178 5.912 -10.940 -2.141 1.00 0.41 H new ATOM 0 HA ALA A 178 5.549 -9.853 -4.858 1.00 0.33 H new ATOM 0 HB1 ALA A 178 3.222 -9.477 -4.043 1.00 0.52 H new ATOM 0 HB2 ALA A 178 3.705 -11.182 -3.881 1.00 0.52 H new ATOM 0 HB3 ALA A 178 3.687 -10.123 -2.451 1.00 0.52 H new ATOM 2348 N HIS A 179 5.238 -7.361 -4.260 1.00 0.35 N ATOM 2349 CA HIS A 179 5.435 -5.928 -3.981 1.00 0.39 C ATOM 2350 C HIS A 179 4.240 -5.020 -4.348 1.00 0.38 C ATOM 2351 O HIS A 179 3.366 -5.410 -5.122 1.00 0.44 O ATOM 2352 CB HIS A 179 6.738 -5.420 -4.629 1.00 0.44 C ATOM 2353 CG HIS A 179 7.987 -6.201 -4.288 1.00 0.50 C ATOM 2354 ND1 HIS A 179 8.988 -5.775 -3.450 1.00 0.56 N ATOM 2355 CD2 HIS A 179 8.357 -7.439 -4.750 1.00 0.52 C ATOM 2356 CE1 HIS A 179 9.926 -6.730 -3.389 1.00 0.61 C ATOM 2357 NE2 HIS A 179 9.599 -7.769 -4.180 1.00 0.60 N ATOM 0 H HIS A 179 4.803 -7.553 -5.162 1.00 0.35 H new ATOM 0 HA HIS A 179 5.514 -5.857 -2.896 1.00 0.39 H new ATOM 0 HB2 HIS A 179 6.611 -5.428 -5.712 1.00 0.44 H new ATOM 0 HB3 HIS A 179 6.889 -4.382 -4.333 1.00 0.44 H new ATOM 0 HD1 HIS A 179 9.013 -4.882 -2.957 1.00 0.56 H new ATOM 0 HD2 HIS A 179 7.791 -8.054 -5.434 1.00 0.52 H new ATOM 0 HE1 HIS A 179 10.821 -6.674 -2.788 1.00 0.61 H new ATOM 2365 N VAL A 180 4.211 -3.801 -3.789 1.00 0.33 N ATOM 2366 CA VAL A 180 3.199 -2.740 -4.004 1.00 0.33 C ATOM 2367 C VAL A 180 3.871 -1.378 -4.195 1.00 0.33 C ATOM 2368 O VAL A 180 4.828 -1.083 -3.479 1.00 0.35 O ATOM 2369 CB VAL A 180 2.238 -2.559 -2.803 1.00 0.35 C ATOM 2370 CG1 VAL A 180 0.850 -2.141 -3.276 1.00 0.45 C ATOM 2371 CG2 VAL A 180 2.096 -3.742 -1.852 1.00 0.37 C ATOM 0 H VAL A 180 4.935 -3.505 -3.134 1.00 0.33 H new ATOM 0 HA VAL A 180 2.644 -3.062 -4.885 1.00 0.33 H new ATOM 0 HB VAL A 180 2.722 -1.776 -2.219 1.00 0.35 H new ATOM 0 HG11 VAL A 180 0.193 -2.020 -2.415 1.00 0.45 H new ATOM 0 HG12 VAL A 180 0.919 -1.196 -3.815 1.00 0.45 H new ATOM 0 HG13 VAL A 180 0.445 -2.907 -3.937 1.00 0.45 H new ATOM 0 HG21 VAL A 180 1.396 -3.487 -1.056 1.00 0.37 H new ATOM 0 HG22 VAL A 180 1.723 -4.607 -2.400 1.00 0.37 H new ATOM 0 HG23 VAL A 180 3.068 -3.979 -1.419 1.00 0.37 H new ATOM 2381 N TYR A 181 3.317 -0.510 -5.050 1.00 0.39 N ATOM 2382 CA TYR A 181 3.859 0.830 -5.327 1.00 0.42 C ATOM 2383 C TYR A 181 2.789 1.950 -5.345 1.00 0.50 C ATOM 2384 O TYR A 181 2.390 2.413 -6.420 1.00 0.67 O ATOM 2385 CB TYR A 181 4.682 0.773 -6.620 1.00 0.48 C ATOM 2386 CG TYR A 181 5.935 -0.076 -6.495 1.00 0.48 C ATOM 2387 CD1 TYR A 181 7.115 0.490 -5.976 1.00 2.00 C ATOM 2388 CD2 TYR A 181 5.908 -1.443 -6.837 1.00 1.89 C ATOM 2389 CE1 TYR A 181 8.275 -0.298 -5.816 1.00 1.97 C ATOM 2390 CE2 TYR A 181 7.053 -2.237 -6.648 1.00 1.99 C ATOM 2391 CZ TYR A 181 8.239 -1.668 -6.151 1.00 0.69 C ATOM 2392 OH TYR A 181 9.333 -2.458 -6.007 1.00 0.88 O ATOM 0 H TYR A 181 2.469 -0.719 -5.577 1.00 0.39 H new ATOM 0 HA TYR A 181 4.509 1.109 -4.498 1.00 0.42 H new ATOM 0 HB2 TYR A 181 4.060 0.375 -7.422 1.00 0.48 H new ATOM 0 HB3 TYR A 181 4.964 1.786 -6.908 1.00 0.48 H new ATOM 0 HD1 TYR A 181 7.133 1.534 -5.699 1.00 2.00 H new ATOM 0 HD2 TYR A 181 5.008 -1.880 -7.244 1.00 1.89 H new ATOM 0 HE1 TYR A 181 9.185 0.145 -5.439 1.00 1.97 H new ATOM 0 HE2 TYR A 181 7.021 -3.290 -6.886 1.00 1.99 H new ATOM 0 HH TYR A 181 9.050 -3.377 -5.817 1.00 0.88 H new ATOM 2402 N PRO A 182 2.300 2.404 -4.169 1.00 0.46 N ATOM 2403 CA PRO A 182 1.305 3.476 -4.053 1.00 0.53 C ATOM 2404 C PRO A 182 1.799 4.856 -4.516 1.00 0.60 C ATOM 2405 O PRO A 182 2.970 5.200 -4.355 1.00 0.62 O ATOM 2406 CB PRO A 182 0.864 3.504 -2.588 1.00 0.55 C ATOM 2407 CG PRO A 182 1.915 2.707 -1.821 1.00 0.54 C ATOM 2408 CD PRO A 182 2.554 1.800 -2.871 1.00 0.43 C ATOM 0 HA PRO A 182 0.475 3.260 -4.726 1.00 0.53 H new ATOM 0 HB2 PRO A 182 0.803 4.527 -2.218 1.00 0.55 H new ATOM 0 HB3 PRO A 182 -0.125 3.062 -2.469 1.00 0.55 H new ATOM 0 HG2 PRO A 182 2.654 3.364 -1.362 1.00 0.54 H new ATOM 0 HG3 PRO A 182 1.463 2.126 -1.017 1.00 0.54 H new ATOM 0 HD2 PRO A 182 3.625 1.702 -2.695 1.00 0.43 H new ATOM 0 HD3 PRO A 182 2.130 0.797 -2.823 1.00 0.43 H new ATOM 2416 N LYS A 183 0.867 5.634 -5.084 1.00 0.69 N ATOM 2417 CA LYS A 183 1.045 6.909 -5.811 1.00 0.69 C ATOM 2418 C LYS A 183 -0.065 7.930 -5.468 1.00 0.67 C ATOM 2419 O LYS A 183 -1.091 7.560 -4.882 1.00 0.95 O ATOM 2420 CB LYS A 183 1.021 6.598 -7.323 1.00 0.70 C ATOM 2421 CG LYS A 183 2.191 5.710 -7.796 1.00 0.84 C ATOM 2422 CD LYS A 183 2.017 5.167 -9.224 1.00 1.16 C ATOM 2423 CE LYS A 183 0.756 4.306 -9.420 1.00 1.14 C ATOM 2424 NZ LYS A 183 0.737 3.061 -8.611 1.00 1.94 N ATOM 0 H LYS A 183 -0.117 5.369 -5.046 1.00 0.69 H new ATOM 0 HA LYS A 183 1.993 7.358 -5.516 1.00 0.69 H new ATOM 0 HB2 LYS A 183 0.081 6.104 -7.568 1.00 0.70 H new ATOM 0 HB3 LYS A 183 1.042 7.536 -7.878 1.00 0.70 H new ATOM 0 HG2 LYS A 183 3.115 6.285 -7.746 1.00 0.84 H new ATOM 0 HG3 LYS A 183 2.300 4.871 -7.109 1.00 0.84 H new ATOM 0 HD2 LYS A 183 1.982 6.006 -9.919 1.00 1.16 H new ATOM 0 HD3 LYS A 183 2.893 4.573 -9.485 1.00 1.16 H new ATOM 0 HE2 LYS A 183 -0.121 4.903 -9.168 1.00 1.14 H new ATOM 0 HE3 LYS A 183 0.670 4.042 -10.474 1.00 1.14 H new ATOM 0 HZ1 LYS A 183 0.832 2.237 -9.239 1.00 1.94 H new ATOM 0 HZ2 LYS A 183 1.527 3.074 -7.935 1.00 1.94 H new ATOM 0 HZ3 LYS A 183 -0.162 2.998 -8.091 1.00 1.94 H new ATOM 2438 N ASN A 184 0.114 9.202 -5.848 0.49 0.61 N ATOM 2439 CA ASN A 184 -0.883 10.279 -5.679 0.49 0.61 C ATOM 2440 C ASN A 184 -1.386 10.902 -6.996 0.49 0.62 C ATOM 2441 O ASN A 184 -0.834 10.645 -8.066 0.49 0.79 O ATOM 2442 CB ASN A 184 -0.417 11.289 -4.627 0.49 1.11 C ATOM 2443 CG ASN A 184 0.824 12.044 -4.976 0.49 1.55 C ATOM 2444 OD1 ASN A 184 1.023 12.557 -6.066 0.49 3.25 O ATOM 2445 ND2 ASN A 184 1.663 12.209 -4.001 0.49 1.95 N ATOM 0 H ASN A 184 0.974 9.523 -6.292 0.49 0.61 H new ATOM 0 HA ASN A 184 -1.788 9.815 -5.288 0.49 0.61 H new ATOM 0 HB2 ASN A 184 -1.221 12.004 -4.452 0.49 1.11 H new ATOM 0 HB3 ASN A 184 -0.250 10.761 -3.688 0.49 1.11 H new ATOM 0 HD21 ASN A 184 2.501 12.773 -4.140 0.49 1.95 H new ATOM 0 HD22 ASN A 184 1.484 11.775 -3.096 0.49 1.95 H new ATOM 2452 N THR A 185 -2.473 11.685 -6.921 0.49 0.66 N ATOM 2453 CA THR A 185 -3.073 12.346 -8.102 0.49 0.78 C ATOM 2454 C THR A 185 -3.777 13.685 -7.825 0.49 1.11 C ATOM 2455 O THR A 185 -3.734 14.566 -8.683 0.49 2.20 O ATOM 2456 CB THR A 185 -4.010 11.359 -8.829 0.49 0.93 C ATOM 2457 OG1 THR A 185 -4.384 11.844 -10.100 0.49 1.37 O ATOM 2458 CG2 THR A 185 -5.295 11.036 -8.070 0.49 1.09 C ATOM 0 H THR A 185 -2.962 11.880 -6.048 0.49 0.66 H new ATOM 0 HA THR A 185 -2.236 12.619 -8.745 0.49 0.78 H new ATOM 0 HB THR A 185 -3.420 10.446 -8.909 0.49 0.93 H new ATOM 0 HG1 THR A 185 -4.976 11.196 -10.536 0.49 1.37 H new ATOM 0 HG21 THR A 185 -5.895 10.336 -8.652 0.49 1.09 H new ATOM 0 HG22 THR A 185 -5.046 10.589 -7.108 0.49 1.09 H new ATOM 0 HG23 THR A 185 -5.862 11.953 -7.908 0.49 1.09 H new