USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=31 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 130 ASN : amide:sc= -0.737 X(o=0.014,f=-0.36) USER MOD Set 1.2: A 133 ASN : amide:sc= 0.751 X(o=0.014,f=-0.47) USER MOD Set 2.1: A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 146 SER OG : rot 180:sc= 0.00855 USER MOD Set 3.1: A 88 ASN : amide:sc= 0.429 K(o=0.83,f=0.03) USER MOD Set 3.2: A 142 TYR OH : rot 180:sc= 0.402 USER MOD Set 4.1: A 85 ASN : amide:sc= -0.0631 K(o=-0.063,f=-1.2) USER MOD Set 4.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 40 HIS : no HE2:sc= 0.962 K(o=1.7,f=-5.4!) USER MOD Set 5.2: A 179 HIS : no HE2:sc= 0.761 K(o=1.7,f=-7.1!) USER MOD Single : A 32 THR OG1 : rot 140:sc= 1.26 USER MOD Single : A 33 THR OG1 : rot 156:sc= 1.48 USER MOD Single : A 34 THR OG1 : rot 30:sc= 0.0267 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 140:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 1.21 (180deg=1.13) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 169:sc= -0.923 (180deg=-1.21) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.98 K(o=0.98,f=0) USER MOD Single : A 58 THR OG1 : rot -42:sc= 0.00412 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 61 TYR OH : rot 180:sc= 0.253 USER MOD Single : A 64 ASN : amide:sc= 0.92 K(o=0.92,f=-0.27) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.89) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -168:sc= 0 (180deg=-0.192) USER MOD Single : A 84 THR OG1 : rot -160:sc= 0.777 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 94 ASN : amide:sc= 1.11 K(o=1.1,f=-0.03) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.24) USER MOD Single : A 105 GLN : amide:sc= -2.54! K(o=-2.5!,f=0) USER MOD Single : A 106 THR OG1 : rot -170:sc= -0.441 USER MOD Single : A 108 LYS NZ :NH3+ 170:sc= 0.951 (180deg=0.886) USER MOD Single : A 110 SER OG : rot 170:sc= 0.643 USER MOD Single : A 116 THR OG1 : rot 108:sc= 1.26 USER MOD Single : A 118 MET CE :methyl -149:sc= -0.203 (180deg=-1.86!) USER MOD Single : A 119 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0118) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0.00112 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 TYR OH : rot -172:sc= 0.774 USER MOD Single : A 140 LYS NZ :NH3+ 170:sc= -1.11 (180deg=-1.41) USER MOD Single : A 145 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=-0.012) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 173 ASN : amide:sc= 0.207 K(o=0.21,f=-6.6!) USER MOD Single : A 181 TYR OH : rot 130:sc= 0.139 USER MOD Single : A 183 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 184 ASN : amide:sc= -0.0573 K(o=-0.057,f=-2) USER MOD Single : A 185 THR OG1 : rot -52:sc= -0.514 USER MOD ----------------------------------------------------------------- ATOM 167 N THR A 32 -1.164 -20.346 -1.461 1.00 1.14 N ATOM 168 CA THR A 32 -0.503 -19.312 -2.285 1.00 0.95 C ATOM 169 C THR A 32 0.882 -19.737 -2.806 1.00 0.95 C ATOM 170 O THR A 32 1.388 -20.810 -2.459 1.00 1.02 O ATOM 171 CB THR A 32 -0.335 -18.018 -1.467 1.00 0.81 C ATOM 172 OG1 THR A 32 0.419 -18.245 -0.297 1.00 0.96 O ATOM 173 CG2 THR A 32 -1.648 -17.364 -1.056 1.00 0.91 C ATOM 0 HA THR A 32 -1.149 -19.156 -3.149 1.00 0.95 H new ATOM 0 HB THR A 32 0.184 -17.338 -2.143 1.00 0.81 H new ATOM 0 HG1 THR A 32 1.028 -17.491 -0.149 1.00 0.96 H new ATOM 0 HG21 THR A 32 -1.441 -16.460 -0.484 1.00 0.91 H new ATOM 0 HG22 THR A 32 -2.221 -17.107 -1.947 1.00 0.91 H new ATOM 0 HG23 THR A 32 -2.223 -18.057 -0.442 1.00 0.91 H new ATOM 181 N THR A 33 1.536 -18.884 -3.606 1.00 0.98 N ATOM 182 CA THR A 33 2.949 -19.036 -4.032 1.00 1.01 C ATOM 183 C THR A 33 3.918 -18.079 -3.320 1.00 1.07 C ATOM 184 O THR A 33 5.126 -18.098 -3.554 1.00 1.42 O ATOM 185 CB THR A 33 3.089 -18.856 -5.546 1.00 1.30 C ATOM 186 OG1 THR A 33 2.602 -17.598 -5.958 1.00 1.88 O ATOM 187 CG2 THR A 33 2.329 -19.923 -6.333 1.00 1.70 C ATOM 0 H THR A 33 1.094 -18.048 -3.988 1.00 0.98 H new ATOM 0 HA THR A 33 3.226 -20.050 -3.745 1.00 1.01 H new ATOM 0 HB THR A 33 4.156 -18.943 -5.754 1.00 1.30 H new ATOM 0 HG1 THR A 33 3.030 -17.342 -6.802 1.00 1.88 H new ATOM 0 HG21 THR A 33 2.461 -19.750 -7.401 1.00 1.70 H new ATOM 0 HG22 THR A 33 2.715 -20.909 -6.075 1.00 1.70 H new ATOM 0 HG23 THR A 33 1.269 -19.872 -6.085 1.00 1.70 H new ATOM 195 N THR A 34 3.393 -17.220 -2.449 1.00 1.04 N ATOM 196 CA THR A 34 4.117 -16.203 -1.674 1.00 1.22 C ATOM 197 C THR A 34 3.434 -16.032 -0.311 1.00 0.96 C ATOM 198 O THR A 34 2.215 -16.197 -0.209 1.00 0.93 O ATOM 199 CB THR A 34 4.157 -14.891 -2.484 1.00 1.87 C ATOM 200 OG1 THR A 34 5.252 -14.889 -3.366 1.00 2.78 O ATOM 201 CG2 THR A 34 4.265 -13.596 -1.682 1.00 1.42 C ATOM 0 H THR A 34 2.393 -17.211 -2.250 1.00 1.04 H new ATOM 0 HA THR A 34 5.147 -16.508 -1.489 1.00 1.22 H new ATOM 0 HB THR A 34 3.187 -14.890 -2.982 1.00 1.87 H new ATOM 0 HG1 THR A 34 5.458 -15.809 -3.634 1.00 2.78 H new ATOM 0 HG21 THR A 34 4.284 -12.746 -2.364 1.00 1.42 H new ATOM 0 HG22 THR A 34 3.406 -13.508 -1.016 1.00 1.42 H new ATOM 0 HG23 THR A 34 5.182 -13.609 -1.092 1.00 1.42 H new ATOM 209 N THR A 35 4.206 -15.700 0.726 1.00 0.97 N ATOM 210 CA THR A 35 3.734 -15.506 2.111 1.00 0.82 C ATOM 211 C THR A 35 3.786 -14.060 2.608 1.00 0.78 C ATOM 212 O THR A 35 3.201 -13.770 3.652 1.00 0.82 O ATOM 213 CB THR A 35 4.505 -16.399 3.095 1.00 0.95 C ATOM 214 OG1 THR A 35 5.903 -16.213 2.998 1.00 1.12 O ATOM 215 CG2 THR A 35 4.202 -17.879 2.869 1.00 1.08 C ATOM 0 H THR A 35 5.211 -15.553 0.628 1.00 0.97 H new ATOM 0 HA THR A 35 2.683 -15.792 2.078 1.00 0.82 H new ATOM 0 HB THR A 35 4.170 -16.102 4.089 1.00 0.95 H new ATOM 0 HG1 THR A 35 6.356 -16.797 3.641 1.00 1.12 H new ATOM 0 HG21 THR A 35 4.766 -18.479 3.584 1.00 1.08 H new ATOM 0 HG22 THR A 35 3.136 -18.057 3.007 1.00 1.08 H new ATOM 0 HG23 THR A 35 4.488 -18.158 1.855 1.00 1.08 H new ATOM 223 N SER A 36 4.448 -13.138 1.899 1.00 0.74 N ATOM 224 CA SER A 36 4.487 -11.717 2.268 1.00 0.69 C ATOM 225 C SER A 36 4.569 -10.747 1.082 1.00 0.66 C ATOM 226 O SER A 36 4.975 -11.095 -0.031 1.00 0.79 O ATOM 227 CB SER A 36 5.613 -11.448 3.275 1.00 0.67 C ATOM 228 OG SER A 36 6.905 -11.519 2.698 1.00 2.06 O ATOM 0 H SER A 36 4.973 -13.356 1.052 1.00 0.74 H new ATOM 0 HA SER A 36 3.523 -11.514 2.734 1.00 0.69 H new ATOM 0 HB2 SER A 36 5.472 -10.460 3.713 1.00 0.67 H new ATOM 0 HB3 SER A 36 5.545 -12.170 4.088 1.00 0.67 H new ATOM 0 HG SER A 36 7.467 -10.805 3.065 1.00 2.06 H new ATOM 234 N VAL A 37 4.173 -9.503 1.347 1.00 0.56 N ATOM 235 CA VAL A 37 4.157 -8.367 0.416 1.00 0.54 C ATOM 236 C VAL A 37 4.870 -7.161 1.040 1.00 0.48 C ATOM 237 O VAL A 37 4.682 -6.882 2.223 1.00 0.49 O ATOM 238 CB VAL A 37 2.721 -8.052 -0.042 1.00 0.54 C ATOM 239 CG1 VAL A 37 1.803 -7.690 1.110 1.00 0.50 C ATOM 240 CG2 VAL A 37 2.666 -6.961 -1.114 1.00 0.55 C ATOM 0 H VAL A 37 3.833 -9.242 2.273 1.00 0.56 H new ATOM 0 HA VAL A 37 4.711 -8.631 -0.485 1.00 0.54 H new ATOM 0 HB VAL A 37 2.359 -8.980 -0.485 1.00 0.54 H new ATOM 0 HG11 VAL A 37 0.805 -7.478 0.727 1.00 0.50 H new ATOM 0 HG12 VAL A 37 1.753 -8.523 1.811 1.00 0.50 H new ATOM 0 HG13 VAL A 37 2.190 -6.808 1.621 1.00 0.50 H new ATOM 0 HG21 VAL A 37 1.629 -6.782 -1.398 1.00 0.55 H new ATOM 0 HG22 VAL A 37 3.099 -6.041 -0.720 1.00 0.55 H new ATOM 0 HG23 VAL A 37 3.231 -7.282 -1.989 1.00 0.55 H new ATOM 250 N THR A 38 5.683 -6.441 0.259 1.00 0.46 N ATOM 251 CA THR A 38 6.396 -5.228 0.710 1.00 0.43 C ATOM 252 C THR A 38 5.897 -3.987 -0.041 1.00 0.45 C ATOM 253 O THR A 38 5.941 -3.939 -1.267 1.00 0.47 O ATOM 254 CB THR A 38 7.921 -5.374 0.588 1.00 0.48 C ATOM 255 OG1 THR A 38 8.373 -6.566 1.202 1.00 0.67 O ATOM 256 CG2 THR A 38 8.658 -4.250 1.310 1.00 0.52 C ATOM 0 H THR A 38 5.870 -6.682 -0.714 1.00 0.46 H new ATOM 0 HA THR A 38 6.173 -5.098 1.769 1.00 0.43 H new ATOM 0 HB THR A 38 8.127 -5.362 -0.482 1.00 0.48 H new ATOM 0 HG1 THR A 38 9.346 -6.634 1.108 1.00 0.67 H new ATOM 0 HG21 THR A 38 9.733 -4.390 1.200 1.00 0.52 H new ATOM 0 HG22 THR A 38 8.371 -3.291 0.879 1.00 0.52 H new ATOM 0 HG23 THR A 38 8.397 -4.265 2.368 1.00 0.52 H new ATOM 264 N VAL A 39 5.403 -2.979 0.679 1.00 0.51 N ATOM 265 CA VAL A 39 4.834 -1.739 0.110 1.00 0.53 C ATOM 266 C VAL A 39 5.848 -0.588 0.121 1.00 0.57 C ATOM 267 O VAL A 39 6.525 -0.372 1.126 1.00 0.60 O ATOM 268 CB VAL A 39 3.487 -1.387 0.781 1.00 0.56 C ATOM 269 CG1 VAL A 39 3.502 -1.486 2.302 1.00 0.60 C ATOM 270 CG2 VAL A 39 2.962 0.000 0.407 1.00 0.59 C ATOM 0 H VAL A 39 5.383 -2.994 1.699 1.00 0.51 H new ATOM 0 HA VAL A 39 4.612 -1.916 -0.942 1.00 0.53 H new ATOM 0 HB VAL A 39 2.818 -2.151 0.384 1.00 0.56 H new ATOM 0 HG11 VAL A 39 2.519 -1.223 2.693 1.00 0.60 H new ATOM 0 HG12 VAL A 39 3.750 -2.505 2.598 1.00 0.60 H new ATOM 0 HG13 VAL A 39 4.248 -0.800 2.704 1.00 0.60 H new ATOM 0 HG21 VAL A 39 2.014 0.179 0.914 1.00 0.59 H new ATOM 0 HG22 VAL A 39 3.685 0.757 0.711 1.00 0.59 H new ATOM 0 HG23 VAL A 39 2.812 0.054 -0.671 1.00 0.59 H new ATOM 280 N HIS A 40 5.932 0.140 -0.997 1.00 0.57 N ATOM 281 CA HIS A 40 6.939 1.182 -1.281 1.00 0.61 C ATOM 282 C HIS A 40 6.300 2.472 -1.850 1.00 0.85 C ATOM 283 O HIS A 40 5.875 2.493 -3.004 1.00 1.81 O ATOM 284 CB HIS A 40 7.938 0.618 -2.307 1.00 0.56 C ATOM 285 CG HIS A 40 8.608 -0.676 -1.927 1.00 0.50 C ATOM 286 ND1 HIS A 40 9.771 -0.804 -1.204 1.00 0.59 N ATOM 287 CD2 HIS A 40 8.216 -1.934 -2.305 1.00 0.50 C ATOM 288 CE1 HIS A 40 10.076 -2.108 -1.144 1.00 0.63 C ATOM 289 NE2 HIS A 40 9.168 -2.843 -1.815 1.00 0.55 N ATOM 0 H HIS A 40 5.273 0.018 -1.766 1.00 0.57 H new ATOM 0 HA HIS A 40 7.434 1.447 -0.347 1.00 0.61 H new ATOM 0 HB2 HIS A 40 7.415 0.471 -3.252 1.00 0.56 H new ATOM 0 HB3 HIS A 40 8.710 1.367 -2.484 1.00 0.56 H new ATOM 0 HD1 HIS A 40 10.306 -0.042 -0.788 1.00 0.59 H new ATOM 0 HD2 HIS A 40 7.334 -2.182 -2.877 1.00 0.50 H new ATOM 0 HE1 HIS A 40 10.933 -2.514 -0.628 1.00 0.63 H new ATOM 297 N LYS A 41 6.208 3.566 -1.078 1.00 0.50 N ATOM 298 CA LYS A 41 5.450 4.771 -1.488 1.00 0.52 C ATOM 299 C LYS A 41 6.264 5.714 -2.396 1.00 0.58 C ATOM 300 O LYS A 41 7.415 6.035 -2.088 1.00 0.56 O ATOM 301 CB LYS A 41 4.845 5.458 -0.243 1.00 0.65 C ATOM 302 CG LYS A 41 3.612 6.330 -0.580 1.00 0.96 C ATOM 303 CD LYS A 41 3.964 7.812 -0.765 1.00 0.93 C ATOM 304 CE LYS A 41 2.959 8.571 -1.645 1.00 0.77 C ATOM 305 NZ LYS A 41 1.836 9.155 -0.877 1.00 1.28 N ATOM 0 H LYS A 41 6.649 3.646 -0.162 1.00 0.50 H new ATOM 0 HA LYS A 41 4.619 4.460 -2.121 1.00 0.52 H new ATOM 0 HB2 LYS A 41 4.559 4.697 0.483 1.00 0.65 H new ATOM 0 HB3 LYS A 41 5.606 6.079 0.229 1.00 0.65 H new ATOM 0 HG2 LYS A 41 3.146 5.955 -1.491 1.00 0.96 H new ATOM 0 HG3 LYS A 41 2.875 6.233 0.218 1.00 0.96 H new ATOM 0 HD2 LYS A 41 4.014 8.291 0.213 1.00 0.93 H new ATOM 0 HD3 LYS A 41 4.956 7.890 -1.209 1.00 0.93 H new ATOM 0 HE2 LYS A 41 3.480 9.367 -2.176 1.00 0.77 H new ATOM 0 HE3 LYS A 41 2.561 7.892 -2.399 1.00 0.77 H new ATOM 0 HZ1 LYS A 41 1.299 9.804 -1.487 1.00 1.28 H new ATOM 0 HZ2 LYS A 41 1.210 8.394 -0.545 1.00 1.28 H new ATOM 0 HZ3 LYS A 41 2.209 9.678 -0.059 1.00 1.28 H new ATOM 319 N LEU A 42 5.662 6.173 -3.502 1.00 0.69 N ATOM 320 CA LEU A 42 6.293 7.019 -4.532 1.00 0.74 C ATOM 321 C LEU A 42 5.551 8.356 -4.749 1.00 0.73 C ATOM 322 O LEU A 42 4.386 8.482 -4.375 1.00 0.70 O ATOM 323 CB LEU A 42 6.347 6.247 -5.869 1.00 0.73 C ATOM 324 CG LEU A 42 7.008 4.860 -5.895 1.00 0.73 C ATOM 325 CD1 LEU A 42 7.161 4.441 -7.360 1.00 0.78 C ATOM 326 CD2 LEU A 42 8.399 4.802 -5.274 1.00 0.74 C ATOM 0 H LEU A 42 4.687 5.959 -3.714 1.00 0.69 H new ATOM 0 HA LEU A 42 7.296 7.258 -4.179 1.00 0.74 H new ATOM 0 HB2 LEU A 42 5.323 6.132 -6.226 1.00 0.73 H new ATOM 0 HB3 LEU A 42 6.868 6.875 -6.592 1.00 0.73 H new ATOM 0 HG LEU A 42 6.364 4.207 -5.306 1.00 0.73 H new ATOM 0 HD11 LEU A 42 7.629 3.458 -7.410 1.00 0.78 H new ATOM 0 HD12 LEU A 42 6.179 4.400 -7.831 1.00 0.78 H new ATOM 0 HD13 LEU A 42 7.784 5.166 -7.883 1.00 0.78 H new ATOM 0 HD21 LEU A 42 8.784 3.784 -5.339 1.00 0.74 H new ATOM 0 HD22 LEU A 42 9.066 5.477 -5.811 1.00 0.74 H new ATOM 0 HD23 LEU A 42 8.343 5.103 -4.228 1.00 0.74 H new ATOM 338 N LEU A 43 6.215 9.329 -5.391 1.00 0.78 N ATOM 339 CA LEU A 43 5.644 10.587 -5.916 1.00 0.83 C ATOM 340 C LEU A 43 6.313 10.981 -7.254 1.00 0.82 C ATOM 341 O LEU A 43 7.364 10.447 -7.622 1.00 0.81 O ATOM 342 CB LEU A 43 5.826 11.754 -4.914 1.00 1.09 C ATOM 343 CG LEU A 43 5.055 11.731 -3.581 1.00 0.81 C ATOM 344 CD1 LEU A 43 5.307 13.068 -2.876 1.00 1.57 C ATOM 345 CD2 LEU A 43 3.540 11.623 -3.708 1.00 1.10 C ATOM 0 H LEU A 43 7.217 9.260 -5.569 1.00 0.78 H new ATOM 0 HA LEU A 43 4.580 10.409 -6.072 1.00 0.83 H new ATOM 0 HB2 LEU A 43 6.888 11.819 -4.677 1.00 1.09 H new ATOM 0 HB3 LEU A 43 5.558 12.675 -5.432 1.00 1.09 H new ATOM 0 HG LEU A 43 5.411 10.847 -3.052 1.00 0.81 H new ATOM 0 HD11 LEU A 43 4.773 13.084 -1.926 1.00 1.57 H new ATOM 0 HD12 LEU A 43 6.375 13.188 -2.695 1.00 1.57 H new ATOM 0 HD13 LEU A 43 4.952 13.884 -3.506 1.00 1.57 H new ATOM 0 HD21 LEU A 43 3.091 11.615 -2.715 1.00 1.10 H new ATOM 0 HD22 LEU A 43 3.160 12.476 -4.270 1.00 1.10 H new ATOM 0 HD23 LEU A 43 3.283 10.701 -4.230 1.00 1.10 H new ATOM 357 N ALA A 44 5.731 11.953 -7.962 1.00 0.91 N ATOM 358 CA ALA A 44 6.332 12.604 -9.135 1.00 0.93 C ATOM 359 C ALA A 44 7.115 13.892 -8.788 1.00 1.02 C ATOM 360 O ALA A 44 7.023 14.409 -7.670 1.00 0.98 O ATOM 361 CB ALA A 44 5.219 12.881 -10.149 1.00 0.95 C ATOM 0 H ALA A 44 4.807 12.319 -7.732 1.00 0.91 H new ATOM 0 HA ALA A 44 7.076 11.930 -9.560 1.00 0.93 H new ATOM 0 HB1 ALA A 44 5.641 13.365 -11.030 1.00 0.95 H new ATOM 0 HB2 ALA A 44 4.750 11.941 -10.441 1.00 0.95 H new ATOM 0 HB3 ALA A 44 4.472 13.535 -9.699 1.00 0.95 H new ATOM 367 N THR A 45 7.866 14.439 -9.753 1.00 1.21 N ATOM 368 CA THR A 45 8.592 15.719 -9.600 1.00 1.37 C ATOM 369 C THR A 45 7.832 16.948 -10.111 1.00 1.45 C ATOM 370 O THR A 45 7.966 18.024 -9.524 1.00 1.57 O ATOM 371 CB THR A 45 9.981 15.674 -10.250 1.00 1.48 C ATOM 372 OG1 THR A 45 9.891 15.391 -11.627 1.00 1.54 O ATOM 373 CG2 THR A 45 10.885 14.614 -9.627 1.00 1.47 C ATOM 0 H THR A 45 7.991 14.008 -10.669 1.00 1.21 H new ATOM 0 HA THR A 45 8.694 15.835 -8.521 1.00 1.37 H new ATOM 0 HB THR A 45 10.411 16.662 -10.084 1.00 1.48 H new ATOM 0 HG1 THR A 45 10.790 15.370 -12.016 1.00 1.54 H new ATOM 0 HG21 THR A 45 11.855 14.625 -10.124 1.00 1.47 H new ATOM 0 HG22 THR A 45 11.018 14.827 -8.566 1.00 1.47 H new ATOM 0 HG23 THR A 45 10.428 13.631 -9.745 1.00 1.47 H new ATOM 381 N ASP A 46 7.018 16.822 -11.163 1.00 1.43 N ATOM 382 CA ASP A 46 6.145 17.890 -11.677 1.00 1.53 C ATOM 383 C ASP A 46 4.766 17.347 -12.120 1.00 1.51 C ATOM 384 O ASP A 46 4.257 17.666 -13.200 1.00 1.72 O ATOM 385 CB ASP A 46 6.890 18.688 -12.763 1.00 1.61 C ATOM 386 CG ASP A 46 6.187 19.993 -13.148 1.00 1.82 C ATOM 387 OD1 ASP A 46 5.625 20.681 -12.262 1.00 2.59 O ATOM 388 OD2 ASP A 46 6.234 20.368 -14.343 1.00 2.34 O ATOM 0 H ASP A 46 6.943 15.955 -11.696 1.00 1.43 H new ATOM 0 HA ASP A 46 5.913 18.589 -10.873 1.00 1.53 H new ATOM 0 HB2 ASP A 46 7.896 18.916 -12.410 1.00 1.61 H new ATOM 0 HB3 ASP A 46 6.997 18.066 -13.652 1.00 1.61 H new ATOM 393 N GLY A 47 4.175 16.476 -11.293 1.00 1.39 N ATOM 394 CA GLY A 47 2.846 15.876 -11.491 1.00 1.35 C ATOM 395 C GLY A 47 2.788 14.683 -12.453 1.00 1.19 C ATOM 396 O GLY A 47 1.707 14.264 -12.860 1.00 1.24 O ATOM 0 H GLY A 47 4.624 16.157 -10.435 1.00 1.39 H new ATOM 0 HA2 GLY A 47 2.465 15.555 -10.521 1.00 1.35 H new ATOM 0 HA3 GLY A 47 2.171 16.648 -11.859 1.00 1.35 H new ATOM 400 N ASP A 48 3.938 14.121 -12.821 1.00 1.06 N ATOM 401 CA ASP A 48 4.150 13.091 -13.856 1.00 0.97 C ATOM 402 C ASP A 48 3.619 11.673 -13.540 1.00 0.84 C ATOM 403 O ASP A 48 4.061 10.692 -14.140 1.00 0.78 O ATOM 404 CB ASP A 48 5.653 13.034 -14.181 1.00 0.99 C ATOM 405 CG ASP A 48 6.236 14.429 -14.409 1.00 1.31 C ATOM 406 OD1 ASP A 48 6.155 14.942 -15.551 1.00 2.65 O ATOM 407 OD2 ASP A 48 6.742 15.031 -13.438 1.00 1.67 O ATOM 0 H ASP A 48 4.816 14.388 -12.375 1.00 1.06 H new ATOM 0 HA ASP A 48 3.548 13.405 -14.709 1.00 0.97 H new ATOM 0 HB2 ASP A 48 6.184 12.547 -13.363 1.00 0.99 H new ATOM 0 HB3 ASP A 48 5.810 12.424 -15.071 1.00 0.99 H new ATOM 412 N MET A 49 2.685 11.517 -12.596 1.00 0.83 N ATOM 413 CA MET A 49 2.224 10.199 -12.132 1.00 0.75 C ATOM 414 C MET A 49 1.514 9.356 -13.200 1.00 0.75 C ATOM 415 O MET A 49 1.422 8.140 -13.034 1.00 0.71 O ATOM 416 CB MET A 49 1.286 10.356 -10.934 1.00 0.79 C ATOM 417 CG MET A 49 1.944 10.858 -9.653 1.00 0.78 C ATOM 418 SD MET A 49 2.611 9.562 -8.556 1.00 0.84 S ATOM 419 CE MET A 49 4.118 9.019 -9.382 1.00 0.62 C ATOM 0 H MET A 49 2.226 12.300 -12.130 1.00 0.83 H new ATOM 0 HA MET A 49 3.133 9.663 -11.860 1.00 0.75 H new ATOM 0 HB2 MET A 49 0.487 11.045 -11.207 1.00 0.79 H new ATOM 0 HB3 MET A 49 0.820 9.392 -10.730 1.00 0.79 H new ATOM 0 HG2 MET A 49 2.755 11.535 -9.922 1.00 0.78 H new ATOM 0 HG3 MET A 49 1.213 11.442 -9.094 1.00 0.78 H new ATOM 0 HE1 MET A 49 4.693 8.383 -8.709 1.00 0.62 H new ATOM 0 HE2 MET A 49 3.859 8.458 -10.280 1.00 0.62 H new ATOM 0 HE3 MET A 49 4.715 9.888 -9.658 1.00 0.62 H new ATOM 429 N ASP A 50 1.019 9.967 -14.278 1.00 0.85 N ATOM 430 CA ASP A 50 0.344 9.269 -15.377 1.00 0.91 C ATOM 431 C ASP A 50 1.348 8.549 -16.292 1.00 0.82 C ATOM 432 O ASP A 50 1.232 7.335 -16.477 1.00 0.84 O ATOM 433 CB ASP A 50 -0.542 10.230 -16.181 1.00 1.11 C ATOM 434 CG ASP A 50 -1.625 10.908 -15.342 1.00 1.35 C ATOM 435 OD1 ASP A 50 -2.473 10.201 -14.741 1.00 2.40 O ATOM 436 OD2 ASP A 50 -1.635 12.164 -15.266 1.00 1.87 O ATOM 0 H ASP A 50 1.076 10.976 -14.415 1.00 0.85 H new ATOM 0 HA ASP A 50 -0.299 8.509 -14.934 1.00 0.91 H new ATOM 0 HB2 ASP A 50 0.086 10.996 -16.636 1.00 1.11 H new ATOM 0 HB3 ASP A 50 -1.015 9.680 -16.995 1.00 1.11 H new ATOM 441 N LYS A 51 2.394 9.228 -16.798 1.00 0.82 N ATOM 442 CA LYS A 51 3.463 8.553 -17.545 1.00 0.74 C ATOM 443 C LYS A 51 4.193 7.533 -16.673 1.00 0.62 C ATOM 444 O LYS A 51 4.391 6.414 -17.128 1.00 0.61 O ATOM 445 CB LYS A 51 4.392 9.563 -18.226 1.00 0.75 C ATOM 446 CG LYS A 51 5.045 10.551 -17.252 1.00 0.75 C ATOM 447 CD LYS A 51 5.868 11.609 -17.986 1.00 0.85 C ATOM 448 CE LYS A 51 7.163 10.976 -18.486 1.00 1.98 C ATOM 449 NZ LYS A 51 8.095 11.989 -19.027 1.00 2.36 N ATOM 0 H LYS A 51 2.518 10.236 -16.703 1.00 0.82 H new ATOM 0 HA LYS A 51 3.010 7.979 -18.353 1.00 0.74 H new ATOM 0 HB2 LYS A 51 5.173 9.022 -18.760 1.00 0.75 H new ATOM 0 HB3 LYS A 51 3.825 10.121 -18.971 1.00 0.75 H new ATOM 0 HG2 LYS A 51 4.273 11.039 -16.657 1.00 0.75 H new ATOM 0 HG3 LYS A 51 5.687 10.008 -16.558 1.00 0.75 H new ATOM 0 HD2 LYS A 51 5.299 12.013 -18.823 1.00 0.85 H new ATOM 0 HD3 LYS A 51 6.090 12.442 -17.319 1.00 0.85 H new ATOM 0 HE2 LYS A 51 7.644 10.439 -17.669 1.00 1.98 H new ATOM 0 HE3 LYS A 51 6.934 10.242 -19.259 1.00 1.98 H new ATOM 0 HZ1 LYS A 51 8.963 11.521 -19.357 1.00 2.36 H new ATOM 0 HZ2 LYS A 51 7.645 12.485 -19.823 1.00 2.36 H new ATOM 0 HZ3 LYS A 51 8.333 12.675 -18.282 1.00 2.36 H new ATOM 463 N ILE A 52 4.479 7.835 -15.399 1.00 0.59 N ATOM 464 CA ILE A 52 4.972 6.852 -14.422 1.00 0.53 C ATOM 465 C ILE A 52 4.041 5.628 -14.357 1.00 0.54 C ATOM 466 O ILE A 52 4.518 4.505 -14.479 1.00 0.55 O ATOM 467 CB ILE A 52 5.165 7.509 -13.036 1.00 0.55 C ATOM 468 CG1 ILE A 52 6.242 8.614 -13.135 1.00 0.65 C ATOM 469 CG2 ILE A 52 5.568 6.457 -11.980 1.00 0.53 C ATOM 470 CD1 ILE A 52 6.431 9.477 -11.895 1.00 0.76 C ATOM 0 H ILE A 52 4.374 8.774 -15.014 1.00 0.59 H new ATOM 0 HA ILE A 52 5.948 6.495 -14.751 1.00 0.53 H new ATOM 0 HB ILE A 52 4.220 7.953 -12.722 1.00 0.55 H new ATOM 0 HG12 ILE A 52 7.196 8.143 -13.374 1.00 0.65 H new ATOM 0 HG13 ILE A 52 5.989 9.266 -13.971 1.00 0.65 H new ATOM 0 HG21 ILE A 52 5.698 6.943 -11.013 1.00 0.53 H new ATOM 0 HG22 ILE A 52 4.787 5.700 -11.904 1.00 0.53 H new ATOM 0 HG23 ILE A 52 6.504 5.984 -12.277 1.00 0.53 H new ATOM 0 HD11 ILE A 52 7.211 10.216 -12.081 1.00 0.76 H new ATOM 0 HD12 ILE A 52 5.496 9.987 -11.661 1.00 0.76 H new ATOM 0 HD13 ILE A 52 6.722 8.847 -11.054 1.00 0.76 H new ATOM 482 N ALA A 53 2.720 5.805 -14.251 1.00 0.63 N ATOM 483 CA ALA A 53 1.782 4.680 -14.248 1.00 0.72 C ATOM 484 C ALA A 53 1.809 3.859 -15.555 1.00 0.76 C ATOM 485 O ALA A 53 1.607 2.644 -15.504 1.00 0.80 O ATOM 486 CB ALA A 53 0.377 5.200 -13.927 1.00 0.82 C ATOM 0 H ALA A 53 2.276 6.719 -14.166 1.00 0.63 H new ATOM 0 HA ALA A 53 2.096 3.982 -13.472 1.00 0.72 H new ATOM 0 HB1 ALA A 53 -0.327 4.368 -13.923 1.00 0.82 H new ATOM 0 HB2 ALA A 53 0.381 5.677 -12.947 1.00 0.82 H new ATOM 0 HB3 ALA A 53 0.076 5.926 -14.682 1.00 0.82 H new ATOM 492 N ASN A 54 2.134 4.473 -16.698 1.00 0.78 N ATOM 493 CA ASN A 54 2.358 3.760 -17.961 1.00 0.86 C ATOM 494 C ASN A 54 3.697 2.993 -17.962 1.00 0.81 C ATOM 495 O ASN A 54 3.744 1.860 -18.448 1.00 0.92 O ATOM 496 CB ASN A 54 2.264 4.728 -19.152 1.00 0.93 C ATOM 497 CG ASN A 54 0.841 5.132 -19.490 1.00 0.98 C ATOM 498 OD1 ASN A 54 0.318 4.790 -20.540 1.00 1.09 O ATOM 499 ND2 ASN A 54 0.177 5.881 -18.646 1.00 0.98 N ATOM 0 H ASN A 54 2.250 5.484 -16.774 1.00 0.78 H new ATOM 0 HA ASN A 54 1.570 3.014 -18.064 1.00 0.86 H new ATOM 0 HB2 ASN A 54 2.845 5.623 -18.930 1.00 0.93 H new ATOM 0 HB3 ASN A 54 2.719 4.262 -20.026 1.00 0.93 H new ATOM 0 HD21 ASN A 54 -0.774 6.177 -18.866 1.00 0.98 H new ATOM 0 HD22 ASN A 54 0.611 6.168 -17.769 1.00 0.98 H new ATOM 506 N GLU A 55 4.761 3.570 -17.390 1.00 0.72 N ATOM 507 CA GLU A 55 6.058 2.903 -17.180 1.00 0.73 C ATOM 508 C GLU A 55 5.945 1.673 -16.255 1.00 0.78 C ATOM 509 O GLU A 55 6.681 0.700 -16.439 1.00 0.87 O ATOM 510 CB GLU A 55 7.095 3.873 -16.594 1.00 0.66 C ATOM 511 CG GLU A 55 7.478 5.067 -17.482 1.00 0.65 C ATOM 512 CD GLU A 55 7.918 4.695 -18.902 1.00 0.78 C ATOM 513 OE1 GLU A 55 8.834 3.857 -19.066 1.00 1.89 O ATOM 514 OE2 GLU A 55 7.447 5.316 -19.885 1.00 1.78 O ATOM 0 H GLU A 55 4.747 4.532 -17.053 1.00 0.72 H new ATOM 0 HA GLU A 55 6.385 2.566 -18.164 1.00 0.73 H new ATOM 0 HB2 GLU A 55 6.711 4.257 -15.649 1.00 0.66 H new ATOM 0 HB3 GLU A 55 8.000 3.311 -16.365 1.00 0.66 H new ATOM 0 HG2 GLU A 55 6.625 5.743 -17.546 1.00 0.65 H new ATOM 0 HG3 GLU A 55 8.285 5.617 -16.999 1.00 0.65 H new ATOM 521 N LEU A 56 5.033 1.696 -15.271 1.00 0.77 N ATOM 522 CA LEU A 56 4.806 0.579 -14.347 1.00 0.83 C ATOM 523 C LEU A 56 3.780 -0.457 -14.829 1.00 0.93 C ATOM 524 O LEU A 56 3.960 -1.648 -14.572 1.00 1.01 O ATOM 525 CB LEU A 56 4.392 1.106 -12.967 1.00 0.77 C ATOM 526 CG LEU A 56 5.339 2.107 -12.283 1.00 0.68 C ATOM 527 CD1 LEU A 56 4.964 2.158 -10.814 1.00 0.70 C ATOM 528 CD2 LEU A 56 6.827 1.780 -12.405 1.00 0.75 C ATOM 0 H LEU A 56 4.428 2.498 -15.094 1.00 0.77 H new ATOM 0 HA LEU A 56 5.760 0.055 -14.293 1.00 0.83 H new ATOM 0 HB2 LEU A 56 3.415 1.579 -13.065 1.00 0.77 H new ATOM 0 HB3 LEU A 56 4.267 0.251 -12.303 1.00 0.77 H new ATOM 0 HG LEU A 56 5.212 3.062 -12.793 1.00 0.68 H new ATOM 0 HD11 LEU A 56 5.617 2.860 -10.296 1.00 0.70 H new ATOM 0 HD12 LEU A 56 3.929 2.484 -10.714 1.00 0.70 H new ATOM 0 HD13 LEU A 56 5.076 1.167 -10.375 1.00 0.70 H new ATOM 0 HD21 LEU A 56 7.411 2.544 -11.891 1.00 0.75 H new ATOM 0 HD22 LEU A 56 7.024 0.808 -11.954 1.00 0.75 H new ATOM 0 HD23 LEU A 56 7.109 1.755 -13.458 1.00 0.75 H new ATOM 540 N GLU A 57 2.706 -0.053 -15.520 1.00 0.95 N ATOM 541 CA GLU A 57 1.667 -1.007 -15.963 1.00 1.09 C ATOM 542 C GLU A 57 2.163 -1.980 -17.054 1.00 1.17 C ATOM 543 O GLU A 57 1.602 -3.066 -17.226 1.00 1.28 O ATOM 544 CB GLU A 57 0.345 -0.307 -16.345 1.00 1.14 C ATOM 545 CG GLU A 57 0.298 0.270 -17.766 1.00 1.17 C ATOM 546 CD GLU A 57 -1.063 0.912 -18.086 1.00 1.43 C ATOM 547 OE1 GLU A 57 -2.097 0.204 -18.028 1.00 2.39 O ATOM 548 OE2 GLU A 57 -1.114 2.113 -18.454 1.00 2.17 O ATOM 0 H GLU A 57 2.530 0.916 -15.785 1.00 0.95 H new ATOM 0 HA GLU A 57 1.445 -1.628 -15.095 1.00 1.09 H new ATOM 0 HB2 GLU A 57 -0.471 -1.021 -16.233 1.00 1.14 H new ATOM 0 HB3 GLU A 57 0.162 0.500 -15.636 1.00 1.14 H new ATOM 0 HG2 GLU A 57 1.085 1.015 -17.880 1.00 1.17 H new ATOM 0 HG3 GLU A 57 0.502 -0.523 -18.486 1.00 1.17 H new ATOM 555 N THR A 58 3.244 -1.615 -17.756 1.00 1.14 N ATOM 556 CA THR A 58 3.919 -2.449 -18.767 1.00 1.21 C ATOM 557 C THR A 58 4.883 -3.503 -18.187 1.00 1.23 C ATOM 558 O THR A 58 5.341 -4.381 -18.922 1.00 1.41 O ATOM 559 CB THR A 58 4.625 -1.539 -19.787 1.00 1.18 C ATOM 560 OG1 THR A 58 4.714 -2.189 -21.032 1.00 1.23 O ATOM 561 CG2 THR A 58 6.019 -1.082 -19.374 1.00 1.21 C ATOM 0 H THR A 58 3.688 -0.705 -17.635 1.00 1.14 H new ATOM 0 HA THR A 58 3.144 -3.035 -19.261 1.00 1.21 H new ATOM 0 HB THR A 58 4.008 -0.643 -19.846 1.00 1.18 H new ATOM 0 HG1 THR A 58 4.961 -3.127 -20.894 1.00 1.23 H new ATOM 0 HG21 THR A 58 6.439 -0.446 -20.153 1.00 1.21 H new ATOM 0 HG22 THR A 58 5.957 -0.521 -18.442 1.00 1.21 H new ATOM 0 HG23 THR A 58 6.660 -1.952 -19.232 1.00 1.21 H new ATOM 569 N GLY A 59 5.219 -3.421 -16.894 1.00 1.16 N ATOM 570 CA GLY A 59 6.046 -4.397 -16.168 1.00 1.20 C ATOM 571 C GLY A 59 5.199 -5.405 -15.383 1.00 1.26 C ATOM 572 O GLY A 59 4.040 -5.129 -15.066 1.00 1.30 O ATOM 0 H GLY A 59 4.913 -2.648 -16.303 1.00 1.16 H new ATOM 0 HA2 GLY A 59 6.680 -4.931 -16.876 1.00 1.20 H new ATOM 0 HA3 GLY A 59 6.709 -3.870 -15.482 1.00 1.20 H new ATOM 576 N ASN A 60 5.762 -6.553 -14.992 1.00 1.30 N ATOM 577 CA ASN A 60 5.072 -7.561 -14.161 1.00 1.35 C ATOM 578 C ASN A 60 5.054 -7.173 -12.662 1.00 1.26 C ATOM 579 O ASN A 60 5.236 -8.014 -11.773 1.00 1.40 O ATOM 580 CB ASN A 60 5.656 -8.962 -14.414 1.00 1.49 C ATOM 581 CG ASN A 60 5.624 -9.388 -15.877 1.00 1.62 C ATOM 582 OD1 ASN A 60 4.713 -9.073 -16.633 1.00 1.70 O ATOM 583 ND2 ASN A 60 6.591 -10.151 -16.325 1.00 2.03 N ATOM 0 H ASN A 60 6.715 -6.816 -15.242 1.00 1.30 H new ATOM 0 HA ASN A 60 4.025 -7.589 -14.463 1.00 1.35 H new ATOM 0 HB2 ASN A 60 6.687 -8.984 -14.061 1.00 1.49 H new ATOM 0 HB3 ASN A 60 5.101 -9.689 -13.822 1.00 1.49 H new ATOM 0 HD21 ASN A 60 6.579 -10.475 -17.292 1.00 2.03 H new ATOM 0 HD22 ASN A 60 7.356 -10.421 -15.706 1.00 2.03 H new ATOM 590 N TYR A 61 4.890 -5.881 -12.365 1.00 1.08 N ATOM 591 CA TYR A 61 4.977 -5.321 -11.016 1.00 0.92 C ATOM 592 C TYR A 61 3.736 -5.572 -10.148 1.00 0.90 C ATOM 593 O TYR A 61 3.720 -5.201 -8.974 1.00 0.90 O ATOM 594 CB TYR A 61 5.381 -3.844 -11.077 1.00 0.78 C ATOM 595 CG TYR A 61 6.612 -3.520 -11.911 1.00 0.85 C ATOM 596 CD1 TYR A 61 7.707 -4.407 -11.964 1.00 2.23 C ATOM 597 CD2 TYR A 61 6.680 -2.294 -12.599 1.00 1.73 C ATOM 598 CE1 TYR A 61 8.854 -4.071 -12.701 1.00 2.31 C ATOM 599 CE2 TYR A 61 7.850 -1.927 -13.295 1.00 1.80 C ATOM 600 CZ TYR A 61 8.942 -2.820 -13.339 1.00 1.14 C ATOM 601 OH TYR A 61 10.119 -2.471 -13.912 1.00 1.40 O ATOM 0 H TYR A 61 4.688 -5.178 -13.076 1.00 1.08 H new ATOM 0 HA TYR A 61 5.766 -5.866 -10.498 1.00 0.92 H new ATOM 0 HB2 TYR A 61 4.540 -3.274 -11.472 1.00 0.78 H new ATOM 0 HB3 TYR A 61 5.554 -3.493 -10.060 1.00 0.78 H new ATOM 0 HD1 TYR A 61 7.663 -5.348 -11.436 1.00 2.23 H new ATOM 0 HD2 TYR A 61 5.829 -1.629 -12.594 1.00 1.73 H new ATOM 0 HE1 TYR A 61 9.670 -4.774 -12.778 1.00 2.31 H new ATOM 0 HE2 TYR A 61 7.910 -0.969 -13.791 1.00 1.80 H new ATOM 0 HH TYR A 61 10.035 -1.582 -14.316 1.00 1.40 H new ATOM 611 N ALA A 62 2.703 -6.241 -10.676 1.00 0.97 N ATOM 612 CA ALA A 62 1.609 -6.779 -9.865 1.00 1.00 C ATOM 613 C ALA A 62 2.148 -7.793 -8.828 1.00 0.97 C ATOM 614 O ALA A 62 1.571 -7.929 -7.742 1.00 1.02 O ATOM 615 CB ALA A 62 0.576 -7.422 -10.798 1.00 1.21 C ATOM 0 H ALA A 62 2.604 -6.423 -11.675 1.00 0.97 H new ATOM 0 HA ALA A 62 1.130 -5.975 -9.306 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -0.245 -7.827 -10.207 1.00 1.21 H new ATOM 0 HB2 ALA A 62 0.191 -6.671 -11.487 1.00 1.21 H new ATOM 0 HB3 ALA A 62 1.047 -8.226 -11.364 1.00 1.21 H new ATOM 621 N GLY A 63 3.282 -8.446 -9.131 1.00 0.96 N ATOM 622 CA GLY A 63 4.039 -9.265 -8.182 1.00 1.00 C ATOM 623 C GLY A 63 5.435 -8.708 -7.877 1.00 0.94 C ATOM 624 O GLY A 63 5.779 -8.504 -6.717 1.00 0.97 O ATOM 0 H GLY A 63 3.702 -8.416 -10.060 1.00 0.96 H new ATOM 0 HA2 GLY A 63 3.476 -9.344 -7.252 1.00 1.00 H new ATOM 0 HA3 GLY A 63 4.138 -10.274 -8.582 1.00 1.00 H new ATOM 628 N ASN A 64 6.242 -8.472 -8.914 1.00 0.99 N ATOM 629 CA ASN A 64 7.675 -8.162 -8.800 1.00 1.02 C ATOM 630 C ASN A 64 7.953 -6.716 -8.337 1.00 0.91 C ATOM 631 O ASN A 64 7.111 -5.833 -8.492 1.00 0.94 O ATOM 632 CB ASN A 64 8.342 -8.451 -10.159 1.00 1.38 C ATOM 633 CG ASN A 64 8.168 -9.866 -10.633 1.00 1.39 C ATOM 634 OD1 ASN A 64 8.916 -10.773 -10.302 1.00 2.70 O ATOM 635 ND2 ASN A 64 7.180 -10.096 -11.447 1.00 1.82 N ATOM 0 H ASN A 64 5.913 -8.491 -9.879 1.00 0.99 H new ATOM 0 HA ASN A 64 8.101 -8.797 -8.023 1.00 1.02 H new ATOM 0 HB2 ASN A 64 7.929 -7.774 -10.907 1.00 1.38 H new ATOM 0 HB3 ASN A 64 9.407 -8.231 -10.084 1.00 1.38 H new ATOM 0 HD21 ASN A 64 7.028 -11.036 -11.811 1.00 1.82 H new ATOM 0 HD22 ASN A 64 6.557 -9.336 -11.721 1.00 1.82 H new ATOM 642 N LYS A 65 9.159 -6.443 -7.819 1.00 0.92 N ATOM 643 CA LYS A 65 9.593 -5.066 -7.515 1.00 0.87 C ATOM 644 C LYS A 65 9.806 -4.244 -8.792 1.00 0.88 C ATOM 645 O LYS A 65 10.148 -4.811 -9.833 1.00 0.94 O ATOM 646 CB LYS A 65 10.824 -5.025 -6.592 1.00 0.97 C ATOM 647 CG LYS A 65 12.171 -5.369 -7.258 1.00 1.25 C ATOM 648 CD LYS A 65 13.384 -4.811 -6.505 1.00 1.73 C ATOM 649 CE LYS A 65 13.422 -3.278 -6.577 1.00 1.84 C ATOM 650 NZ LYS A 65 14.750 -2.757 -6.196 1.00 2.83 N ATOM 0 H LYS A 65 9.854 -7.157 -7.600 1.00 0.92 H new ATOM 0 HA LYS A 65 8.779 -4.598 -6.961 1.00 0.87 H new ATOM 0 HB2 LYS A 65 10.898 -4.027 -6.160 1.00 0.97 H new ATOM 0 HB3 LYS A 65 10.660 -5.718 -5.767 1.00 0.97 H new ATOM 0 HG2 LYS A 65 12.265 -6.452 -7.331 1.00 1.25 H new ATOM 0 HG3 LYS A 65 12.174 -4.979 -8.276 1.00 1.25 H new ATOM 0 HD2 LYS A 65 13.347 -5.128 -5.463 1.00 1.73 H new ATOM 0 HD3 LYS A 65 14.300 -5.221 -6.930 1.00 1.73 H new ATOM 0 HE2 LYS A 65 13.178 -2.953 -7.588 1.00 1.84 H new ATOM 0 HE3 LYS A 65 12.662 -2.862 -5.916 1.00 1.84 H new ATOM 0 HZ1 LYS A 65 14.745 -1.719 -6.254 1.00 2.83 H new ATOM 0 HZ2 LYS A 65 14.971 -3.048 -5.222 1.00 2.83 H new ATOM 0 HZ3 LYS A 65 15.470 -3.137 -6.843 1.00 2.83 H new ATOM 664 N VAL A 66 9.701 -2.917 -8.694 1.00 0.85 N ATOM 665 CA VAL A 66 9.989 -2.015 -9.821 1.00 0.88 C ATOM 666 C VAL A 66 11.487 -2.052 -10.146 1.00 1.09 C ATOM 667 O VAL A 66 12.316 -1.713 -9.298 1.00 1.26 O ATOM 668 CB VAL A 66 9.507 -0.574 -9.567 1.00 0.75 C ATOM 669 CG1 VAL A 66 9.994 0.397 -10.651 1.00 0.82 C ATOM 670 CG2 VAL A 66 7.978 -0.524 -9.598 1.00 0.59 C ATOM 0 H VAL A 66 9.417 -2.436 -7.840 1.00 0.85 H new ATOM 0 HA VAL A 66 9.427 -2.373 -10.683 1.00 0.88 H new ATOM 0 HB VAL A 66 9.908 -0.280 -8.597 1.00 0.75 H new ATOM 0 HG11 VAL A 66 9.630 1.401 -10.431 1.00 0.82 H new ATOM 0 HG12 VAL A 66 11.084 0.402 -10.672 1.00 0.82 H new ATOM 0 HG13 VAL A 66 9.614 0.079 -11.622 1.00 0.82 H new ATOM 0 HG21 VAL A 66 7.644 0.498 -9.418 1.00 0.59 H new ATOM 0 HG22 VAL A 66 7.623 -0.855 -10.574 1.00 0.59 H new ATOM 0 HG23 VAL A 66 7.577 -1.179 -8.825 1.00 0.59 H new ATOM 680 N GLY A 67 11.841 -2.450 -11.370 1.00 1.17 N ATOM 681 CA GLY A 67 13.240 -2.589 -11.794 1.00 1.41 C ATOM 682 C GLY A 67 13.992 -1.258 -11.902 1.00 1.38 C ATOM 683 O GLY A 67 15.132 -1.163 -11.442 1.00 1.59 O ATOM 0 H GLY A 67 11.166 -2.686 -12.098 1.00 1.17 H new ATOM 0 HA2 GLY A 67 13.762 -3.233 -11.086 1.00 1.41 H new ATOM 0 HA3 GLY A 67 13.268 -3.090 -12.761 1.00 1.41 H new ATOM 687 N VAL A 68 13.343 -0.232 -12.470 1.00 1.23 N ATOM 688 CA VAL A 68 13.890 1.124 -12.681 1.00 1.27 C ATOM 689 C VAL A 68 12.808 2.186 -12.451 1.00 1.10 C ATOM 690 O VAL A 68 11.725 2.096 -13.031 1.00 1.06 O ATOM 691 CB VAL A 68 14.449 1.294 -14.116 1.00 1.50 C ATOM 692 CG1 VAL A 68 15.093 2.672 -14.325 1.00 2.21 C ATOM 693 CG2 VAL A 68 15.517 0.253 -14.465 1.00 1.80 C ATOM 0 H VAL A 68 12.386 -0.323 -12.810 1.00 1.23 H new ATOM 0 HA VAL A 68 14.700 1.255 -11.964 1.00 1.27 H new ATOM 0 HB VAL A 68 13.580 1.170 -14.762 1.00 1.50 H new ATOM 0 HG11 VAL A 68 15.471 2.746 -15.345 1.00 2.21 H new ATOM 0 HG12 VAL A 68 14.349 3.451 -14.156 1.00 2.21 H new ATOM 0 HG13 VAL A 68 15.917 2.799 -13.623 1.00 2.21 H new ATOM 0 HG21 VAL A 68 15.871 0.422 -15.482 1.00 1.80 H new ATOM 0 HG22 VAL A 68 16.352 0.342 -13.770 1.00 1.80 H new ATOM 0 HG23 VAL A 68 15.089 -0.747 -14.392 1.00 1.80 H new ATOM 703 N LEU A 69 13.100 3.217 -11.656 1.00 1.11 N ATOM 704 CA LEU A 69 12.276 4.422 -11.523 1.00 0.98 C ATOM 705 C LEU A 69 12.694 5.492 -12.551 1.00 0.99 C ATOM 706 O LEU A 69 13.895 5.662 -12.787 1.00 1.19 O ATOM 707 CB LEU A 69 12.394 4.970 -10.089 1.00 1.06 C ATOM 708 CG LEU A 69 11.804 4.039 -9.019 1.00 1.05 C ATOM 709 CD1 LEU A 69 12.098 4.595 -7.627 1.00 1.20 C ATOM 710 CD2 LEU A 69 10.291 3.908 -9.164 1.00 0.87 C ATOM 0 H LEU A 69 13.936 3.239 -11.072 1.00 1.11 H new ATOM 0 HA LEU A 69 11.236 4.162 -11.722 1.00 0.98 H new ATOM 0 HB2 LEU A 69 13.446 5.147 -9.863 1.00 1.06 H new ATOM 0 HB3 LEU A 69 11.890 5.935 -10.036 1.00 1.06 H new ATOM 0 HG LEU A 69 12.264 3.060 -9.152 1.00 1.05 H new ATOM 0 HD11 LEU A 69 11.677 3.930 -6.873 1.00 1.20 H new ATOM 0 HD12 LEU A 69 13.176 4.668 -7.485 1.00 1.20 H new ATOM 0 HD13 LEU A 69 11.651 5.584 -7.528 1.00 1.20 H new ATOM 0 HD21 LEU A 69 9.908 3.242 -8.391 1.00 0.87 H new ATOM 0 HD22 LEU A 69 9.829 4.890 -9.059 1.00 0.87 H new ATOM 0 HD23 LEU A 69 10.054 3.498 -10.146 1.00 0.87 H new ATOM 722 N PRO A 70 11.752 6.264 -13.129 1.00 0.81 N ATOM 723 CA PRO A 70 12.083 7.335 -14.066 1.00 0.80 C ATOM 724 C PRO A 70 12.745 8.532 -13.369 1.00 0.93 C ATOM 725 O PRO A 70 12.602 8.719 -12.157 1.00 0.97 O ATOM 726 CB PRO A 70 10.751 7.726 -14.701 1.00 0.68 C ATOM 727 CG PRO A 70 9.703 7.392 -13.660 1.00 0.60 C ATOM 728 CD PRO A 70 10.317 6.231 -12.870 1.00 0.67 C ATOM 0 HA PRO A 70 12.811 7.005 -14.807 1.00 0.80 H new ATOM 0 HB2 PRO A 70 10.731 8.786 -14.954 1.00 0.68 H new ATOM 0 HB3 PRO A 70 10.578 7.175 -15.625 1.00 0.68 H new ATOM 0 HG2 PRO A 70 9.495 8.246 -13.016 1.00 0.60 H new ATOM 0 HG3 PRO A 70 8.759 7.104 -14.123 1.00 0.60 H new ATOM 0 HD2 PRO A 70 10.113 6.337 -11.804 1.00 0.67 H new ATOM 0 HD3 PRO A 70 9.888 5.279 -13.184 1.00 0.67 H new ATOM 736 N ALA A 71 13.411 9.410 -14.124 1.00 1.02 N ATOM 737 CA ALA A 71 14.022 10.623 -13.568 1.00 1.16 C ATOM 738 C ALA A 71 12.974 11.608 -13.002 1.00 1.15 C ATOM 739 O ALA A 71 13.243 12.303 -12.018 1.00 1.29 O ATOM 740 CB ALA A 71 14.913 11.263 -14.638 1.00 1.26 C ATOM 0 H ALA A 71 13.542 9.303 -15.130 1.00 1.02 H new ATOM 0 HA ALA A 71 14.639 10.348 -12.713 1.00 1.16 H new ATOM 0 HB1 ALA A 71 15.373 12.166 -14.236 1.00 1.26 H new ATOM 0 HB2 ALA A 71 15.692 10.559 -14.932 1.00 1.26 H new ATOM 0 HB3 ALA A 71 14.309 11.520 -15.508 1.00 1.26 H new ATOM 746 N ASN A 72 11.760 11.594 -13.566 1.00 1.05 N ATOM 747 CA ASN A 72 10.585 12.337 -13.094 1.00 1.09 C ATOM 748 C ASN A 72 9.837 11.689 -11.898 1.00 1.03 C ATOM 749 O ASN A 72 8.820 12.223 -11.456 1.00 1.15 O ATOM 750 CB ASN A 72 9.672 12.632 -14.300 1.00 1.03 C ATOM 751 CG ASN A 72 9.281 11.397 -15.090 1.00 0.82 C ATOM 752 OD1 ASN A 72 9.977 10.971 -16.000 1.00 1.41 O ATOM 753 ND2 ASN A 72 8.204 10.740 -14.738 1.00 1.19 N ATOM 0 H ASN A 72 11.561 11.041 -14.400 1.00 1.05 H new ATOM 0 HA ASN A 72 10.936 13.276 -12.666 1.00 1.09 H new ATOM 0 HB2 ASN A 72 8.767 13.127 -13.946 1.00 1.03 H new ATOM 0 HB3 ASN A 72 10.179 13.331 -14.965 1.00 1.03 H new ATOM 0 HD21 ASN A 72 7.951 9.879 -15.222 1.00 1.19 H new ATOM 0 HD22 ASN A 72 7.618 11.090 -13.979 1.00 1.19 H new ATOM 760 N ALA A 73 10.316 10.557 -11.368 1.00 0.94 N ATOM 761 CA ALA A 73 9.852 9.961 -10.103 1.00 0.92 C ATOM 762 C ALA A 73 10.797 10.262 -8.916 1.00 1.04 C ATOM 763 O ALA A 73 11.996 10.500 -9.105 1.00 1.16 O ATOM 764 CB ALA A 73 9.696 8.448 -10.295 1.00 0.84 C ATOM 0 H ALA A 73 11.055 10.015 -11.815 1.00 0.94 H new ATOM 0 HA ALA A 73 8.892 10.413 -9.851 1.00 0.92 H new ATOM 0 HB1 ALA A 73 9.353 7.997 -9.364 1.00 0.84 H new ATOM 0 HB2 ALA A 73 8.968 8.254 -11.082 1.00 0.84 H new ATOM 0 HB3 ALA A 73 10.657 8.016 -10.575 1.00 0.84 H new ATOM 770 N LYS A 74 10.270 10.195 -7.684 1.00 1.03 N ATOM 771 CA LYS A 74 11.027 10.255 -6.416 1.00 1.13 C ATOM 772 C LYS A 74 10.377 9.406 -5.316 1.00 1.11 C ATOM 773 O LYS A 74 9.238 8.954 -5.453 1.00 0.96 O ATOM 774 CB LYS A 74 11.206 11.719 -5.974 1.00 1.29 C ATOM 775 CG LYS A 74 9.928 12.299 -5.349 1.00 1.48 C ATOM 776 CD LYS A 74 9.969 13.832 -5.365 1.00 1.60 C ATOM 777 CE LYS A 74 8.638 14.442 -4.920 1.00 2.15 C ATOM 778 NZ LYS A 74 8.607 15.904 -5.186 1.00 3.14 N ATOM 0 H LYS A 74 9.266 10.094 -7.534 1.00 1.03 H new ATOM 0 HA LYS A 74 12.013 9.826 -6.592 1.00 1.13 H new ATOM 0 HB2 LYS A 74 12.021 11.782 -5.253 1.00 1.29 H new ATOM 0 HB3 LYS A 74 11.494 12.323 -6.834 1.00 1.29 H new ATOM 0 HG2 LYS A 74 9.055 11.947 -5.899 1.00 1.48 H new ATOM 0 HG3 LYS A 74 9.824 11.943 -4.324 1.00 1.48 H new ATOM 0 HD2 LYS A 74 10.766 14.181 -4.708 1.00 1.60 H new ATOM 0 HD3 LYS A 74 10.209 14.178 -6.370 1.00 1.60 H new ATOM 0 HE2 LYS A 74 7.817 13.955 -5.446 1.00 2.15 H new ATOM 0 HE3 LYS A 74 8.488 14.259 -3.856 1.00 2.15 H new ATOM 0 HZ1 LYS A 74 7.694 16.294 -4.875 1.00 3.14 H new ATOM 0 HZ2 LYS A 74 9.378 16.368 -4.664 1.00 3.14 H new ATOM 0 HZ3 LYS A 74 8.727 16.074 -6.205 1.00 3.14 H new ATOM 792 N GLU A 75 11.105 9.195 -4.223 1.00 1.29 N ATOM 793 CA GLU A 75 10.754 8.246 -3.160 1.00 1.23 C ATOM 794 C GLU A 75 10.745 8.904 -1.770 1.00 1.25 C ATOM 795 O GLU A 75 11.588 9.758 -1.471 1.00 1.45 O ATOM 796 CB GLU A 75 11.753 7.074 -3.174 1.00 1.37 C ATOM 797 CG GLU A 75 11.889 6.357 -4.527 1.00 1.35 C ATOM 798 CD GLU A 75 13.153 5.481 -4.525 1.00 1.44 C ATOM 799 OE1 GLU A 75 13.095 4.320 -4.051 1.00 1.51 O ATOM 800 OE2 GLU A 75 14.236 5.958 -4.954 1.00 2.68 O ATOM 0 H GLU A 75 11.979 9.690 -4.043 1.00 1.29 H new ATOM 0 HA GLU A 75 9.744 7.887 -3.355 1.00 1.23 H new ATOM 0 HB2 GLU A 75 12.733 7.447 -2.877 1.00 1.37 H new ATOM 0 HB3 GLU A 75 11.448 6.346 -2.422 1.00 1.37 H new ATOM 0 HG2 GLU A 75 11.009 5.742 -4.713 1.00 1.35 H new ATOM 0 HG3 GLU A 75 11.943 7.089 -5.333 1.00 1.35 H new ATOM 807 N ILE A 76 9.816 8.471 -0.912 1.00 1.04 N ATOM 808 CA ILE A 76 9.628 8.953 0.469 1.00 1.01 C ATOM 809 C ILE A 76 9.248 7.798 1.410 1.00 0.92 C ATOM 810 O ILE A 76 8.534 6.880 1.006 1.00 0.95 O ATOM 811 CB ILE A 76 8.561 10.078 0.539 1.00 0.98 C ATOM 812 CG1 ILE A 76 7.225 9.681 -0.140 1.00 0.89 C ATOM 813 CG2 ILE A 76 9.113 11.398 -0.026 1.00 1.12 C ATOM 814 CD1 ILE A 76 6.144 10.767 -0.073 1.00 1.00 C ATOM 0 H ILE A 76 9.145 7.746 -1.166 1.00 1.04 H new ATOM 0 HA ILE A 76 10.580 9.370 0.798 1.00 1.01 H new ATOM 0 HB ILE A 76 8.332 10.230 1.594 1.00 0.98 H new ATOM 0 HG12 ILE A 76 7.418 9.439 -1.185 1.00 0.89 H new ATOM 0 HG13 ILE A 76 6.845 8.775 0.332 1.00 0.89 H new ATOM 0 HG21 ILE A 76 8.345 12.169 0.035 1.00 1.12 H new ATOM 0 HG22 ILE A 76 9.983 11.706 0.553 1.00 1.12 H new ATOM 0 HG23 ILE A 76 9.402 11.255 -1.067 1.00 1.12 H new ATOM 0 HD11 ILE A 76 5.241 10.413 -0.570 1.00 1.00 H new ATOM 0 HD12 ILE A 76 5.920 10.993 0.969 1.00 1.00 H new ATOM 0 HD13 ILE A 76 6.502 11.668 -0.571 1.00 1.00 H new ATOM 826 N ALA A 77 9.688 7.846 2.671 1.00 0.91 N ATOM 827 CA ALA A 77 9.300 6.893 3.721 1.00 0.87 C ATOM 828 C ALA A 77 8.977 7.601 5.053 1.00 0.56 C ATOM 829 O ALA A 77 9.411 8.734 5.280 1.00 0.66 O ATOM 830 CB ALA A 77 10.379 5.808 3.867 1.00 1.10 C ATOM 0 H ALA A 77 10.337 8.562 2.999 1.00 0.91 H new ATOM 0 HA ALA A 77 8.374 6.402 3.422 1.00 0.87 H new ATOM 0 HB1 ALA A 77 10.085 5.105 4.647 1.00 1.10 H new ATOM 0 HB2 ALA A 77 10.490 5.276 2.922 1.00 1.10 H new ATOM 0 HB3 ALA A 77 11.328 6.272 4.136 1.00 1.10 H new ATOM 836 N GLY A 78 8.214 6.931 5.927 1.00 0.57 N ATOM 837 CA GLY A 78 7.659 7.494 7.171 1.00 0.47 C ATOM 838 C GLY A 78 6.161 7.841 7.112 1.00 0.55 C ATOM 839 O GLY A 78 5.672 8.572 7.975 1.00 0.65 O ATOM 0 H GLY A 78 7.957 5.954 5.786 1.00 0.57 H new ATOM 0 HA2 GLY A 78 7.820 6.781 7.979 1.00 0.47 H new ATOM 0 HA3 GLY A 78 8.216 8.396 7.425 1.00 0.47 H new ATOM 843 N VAL A 79 5.449 7.318 6.107 1.00 0.61 N ATOM 844 CA VAL A 79 3.991 7.415 5.877 1.00 0.66 C ATOM 845 C VAL A 79 3.292 6.120 6.308 1.00 0.52 C ATOM 846 O VAL A 79 3.855 5.040 6.138 1.00 0.48 O ATOM 847 CB VAL A 79 3.699 7.741 4.393 1.00 0.79 C ATOM 848 CG1 VAL A 79 4.445 6.852 3.388 1.00 0.87 C ATOM 849 CG2 VAL A 79 2.210 7.724 4.041 1.00 0.79 C ATOM 0 H VAL A 79 5.905 6.774 5.375 1.00 0.61 H new ATOM 0 HA VAL A 79 3.594 8.228 6.485 1.00 0.66 H new ATOM 0 HB VAL A 79 4.078 8.759 4.298 1.00 0.79 H new ATOM 0 HG11 VAL A 79 4.182 7.150 2.373 1.00 0.87 H new ATOM 0 HG12 VAL A 79 5.520 6.963 3.531 1.00 0.87 H new ATOM 0 HG13 VAL A 79 4.164 5.811 3.545 1.00 0.87 H new ATOM 0 HG21 VAL A 79 2.083 7.961 2.985 1.00 0.79 H new ATOM 0 HG22 VAL A 79 1.800 6.734 4.242 1.00 0.79 H new ATOM 0 HG23 VAL A 79 1.685 8.464 4.645 1.00 0.79 H new ATOM 859 N MET A 80 2.077 6.235 6.854 1.00 0.54 N ATOM 860 CA MET A 80 1.225 5.138 7.331 1.00 0.47 C ATOM 861 C MET A 80 0.167 4.702 6.311 1.00 0.41 C ATOM 862 O MET A 80 -0.518 5.522 5.696 1.00 0.44 O ATOM 863 CB MET A 80 0.551 5.557 8.653 1.00 0.58 C ATOM 864 CG MET A 80 -0.389 4.501 9.250 1.00 0.58 C ATOM 865 SD MET A 80 0.372 2.903 9.614 1.00 0.53 S ATOM 866 CE MET A 80 0.208 2.887 11.415 1.00 0.50 C ATOM 0 H MET A 80 1.636 7.146 6.983 1.00 0.54 H new ATOM 0 HA MET A 80 1.870 4.273 7.487 1.00 0.47 H new ATOM 0 HB2 MET A 80 1.326 5.790 9.383 1.00 0.58 H new ATOM 0 HB3 MET A 80 -0.014 6.474 8.484 1.00 0.58 H new ATOM 0 HG2 MET A 80 -0.817 4.899 10.170 1.00 0.58 H new ATOM 0 HG3 MET A 80 -1.215 4.341 8.557 1.00 0.58 H new ATOM 0 HE1 MET A 80 0.811 2.078 11.828 1.00 0.50 H new ATOM 0 HE2 MET A 80 0.551 3.839 11.820 1.00 0.50 H new ATOM 0 HE3 MET A 80 -0.837 2.734 11.684 1.00 0.50 H new ATOM 876 N PHE A 81 -0.034 3.390 6.211 1.00 0.36 N ATOM 877 CA PHE A 81 -1.104 2.762 5.436 1.00 0.35 C ATOM 878 C PHE A 81 -1.676 1.536 6.165 1.00 0.33 C ATOM 879 O PHE A 81 -1.005 0.887 6.973 1.00 0.33 O ATOM 880 CB PHE A 81 -0.630 2.415 4.008 1.00 0.36 C ATOM 881 CG PHE A 81 0.855 2.152 3.933 1.00 0.37 C ATOM 882 CD1 PHE A 81 1.302 0.909 4.406 1.00 1.51 C ATOM 883 CD2 PHE A 81 1.788 3.170 3.611 1.00 1.62 C ATOM 884 CE1 PHE A 81 2.662 0.683 4.607 1.00 1.55 C ATOM 885 CE2 PHE A 81 3.158 2.910 3.785 1.00 1.65 C ATOM 886 CZ PHE A 81 3.593 1.679 4.302 1.00 0.64 C ATOM 0 H PHE A 81 0.563 2.711 6.683 1.00 0.36 H new ATOM 0 HA PHE A 81 -1.915 3.484 5.339 1.00 0.35 H new ATOM 0 HB2 PHE A 81 -1.169 1.536 3.655 1.00 0.36 H new ATOM 0 HB3 PHE A 81 -0.884 3.235 3.336 1.00 0.36 H new ATOM 0 HD1 PHE A 81 0.589 0.125 4.615 1.00 1.51 H new ATOM 0 HD2 PHE A 81 1.452 4.127 3.239 1.00 1.62 H new ATOM 0 HE1 PHE A 81 2.998 -0.265 5.000 1.00 1.55 H new ATOM 0 HE2 PHE A 81 3.883 3.664 3.518 1.00 1.65 H new ATOM 0 HZ PHE A 81 4.646 1.502 4.464 1.00 0.64 H new ATOM 896 N VAL A 82 -2.934 1.221 5.856 1.00 0.32 N ATOM 897 CA VAL A 82 -3.746 0.167 6.490 1.00 0.29 C ATOM 898 C VAL A 82 -4.292 -0.791 5.413 1.00 0.29 C ATOM 899 O VAL A 82 -4.619 -0.343 4.309 1.00 0.31 O ATOM 900 CB VAL A 82 -4.894 0.777 7.329 1.00 0.31 C ATOM 901 CG1 VAL A 82 -4.421 1.902 8.264 1.00 0.34 C ATOM 902 CG2 VAL A 82 -6.009 1.371 6.468 1.00 0.29 C ATOM 0 H VAL A 82 -3.444 1.714 5.123 1.00 0.32 H new ATOM 0 HA VAL A 82 -3.112 -0.400 7.172 1.00 0.29 H new ATOM 0 HB VAL A 82 -5.267 -0.068 7.908 1.00 0.31 H new ATOM 0 HG11 VAL A 82 -5.271 2.290 8.826 1.00 0.34 H new ATOM 0 HG12 VAL A 82 -3.676 1.510 8.957 1.00 0.34 H new ATOM 0 HG13 VAL A 82 -3.980 2.705 7.673 1.00 0.34 H new ATOM 0 HG21 VAL A 82 -6.786 1.784 7.112 1.00 0.29 H new ATOM 0 HG22 VAL A 82 -5.601 2.162 5.839 1.00 0.29 H new ATOM 0 HG23 VAL A 82 -6.437 0.591 5.838 1.00 0.29 H new ATOM 912 N TRP A 83 -4.434 -2.085 5.712 1.00 0.28 N ATOM 913 CA TRP A 83 -5.141 -3.050 4.865 1.00 0.28 C ATOM 914 C TRP A 83 -6.659 -3.071 5.133 1.00 0.28 C ATOM 915 O TRP A 83 -7.141 -2.885 6.251 1.00 0.29 O ATOM 916 CB TRP A 83 -4.523 -4.450 5.007 1.00 0.28 C ATOM 917 CG TRP A 83 -3.328 -4.730 4.138 1.00 0.28 C ATOM 918 CD1 TRP A 83 -2.125 -4.101 4.184 1.00 0.31 C ATOM 919 CD2 TRP A 83 -3.199 -5.752 3.096 1.00 0.28 C ATOM 920 NE1 TRP A 83 -1.300 -4.612 3.197 1.00 0.32 N ATOM 921 CE2 TRP A 83 -1.911 -5.630 2.489 1.00 0.31 C ATOM 922 CE3 TRP A 83 -4.036 -6.786 2.617 1.00 0.29 C ATOM 923 CZ2 TRP A 83 -1.496 -6.455 1.430 1.00 0.37 C ATOM 924 CZ3 TRP A 83 -3.615 -7.653 1.585 1.00 0.35 C ATOM 925 CH2 TRP A 83 -2.353 -7.483 0.987 1.00 0.40 C ATOM 0 H TRP A 83 -4.055 -2.499 6.564 1.00 0.28 H new ATOM 0 HA TRP A 83 -5.018 -2.724 3.832 1.00 0.28 H new ATOM 0 HB2 TRP A 83 -4.233 -4.595 6.048 1.00 0.28 H new ATOM 0 HB3 TRP A 83 -5.292 -5.190 4.784 1.00 0.28 H new ATOM 0 HD1 TRP A 83 -1.854 -3.323 4.882 1.00 0.31 H new ATOM 0 HE1 TRP A 83 -0.354 -4.277 3.014 1.00 0.32 H new ATOM 0 HE3 TRP A 83 -5.017 -6.915 3.049 1.00 0.29 H new ATOM 0 HZ2 TRP A 83 -0.534 -6.304 0.962 1.00 0.37 H new ATOM 0 HZ3 TRP A 83 -4.264 -8.450 1.253 1.00 0.35 H new ATOM 0 HH2 TRP A 83 -2.041 -8.140 0.189 1.00 0.40 H new ATOM 936 N THR A 84 -7.420 -3.329 4.073 1.00 0.29 N ATOM 937 CA THR A 84 -8.889 -3.409 4.042 1.00 0.30 C ATOM 938 C THR A 84 -9.397 -4.531 3.125 1.00 0.31 C ATOM 939 O THR A 84 -8.629 -5.144 2.382 1.00 0.32 O ATOM 940 CB THR A 84 -9.526 -2.096 3.541 1.00 0.30 C ATOM 941 OG1 THR A 84 -8.938 -1.728 2.325 1.00 0.29 O ATOM 942 CG2 THR A 84 -9.414 -0.889 4.457 1.00 0.36 C ATOM 0 H THR A 84 -7.009 -3.499 3.155 1.00 0.29 H new ATOM 0 HA THR A 84 -9.180 -3.609 5.073 1.00 0.30 H new ATOM 0 HB THR A 84 -10.587 -2.337 3.472 1.00 0.30 H new ATOM 0 HG1 THR A 84 -9.097 -0.775 2.160 1.00 0.29 H new ATOM 0 HG21 THR A 84 -9.900 -0.032 3.991 1.00 0.36 H new ATOM 0 HG22 THR A 84 -9.899 -1.108 5.408 1.00 0.36 H new ATOM 0 HG23 THR A 84 -8.362 -0.660 4.630 1.00 0.36 H new ATOM 950 N ASN A 85 -10.707 -4.794 3.153 1.00 0.36 N ATOM 951 CA ASN A 85 -11.380 -5.782 2.306 1.00 0.39 C ATOM 952 C ASN A 85 -12.047 -5.217 1.041 1.00 0.55 C ATOM 953 O ASN A 85 -11.825 -4.067 0.652 1.00 0.73 O ATOM 954 CB ASN A 85 -12.300 -6.645 3.185 1.00 0.45 C ATOM 955 CG ASN A 85 -12.131 -8.089 2.759 1.00 0.72 C ATOM 956 OD1 ASN A 85 -12.898 -8.644 1.993 1.00 1.87 O ATOM 957 ND2 ASN A 85 -11.005 -8.663 3.108 1.00 0.66 N ATOM 0 H ASN A 85 -11.347 -4.311 3.784 1.00 0.36 H new ATOM 0 HA ASN A 85 -10.615 -6.424 1.869 1.00 0.39 H new ATOM 0 HB2 ASN A 85 -12.044 -6.525 4.238 1.00 0.45 H new ATOM 0 HB3 ASN A 85 -13.338 -6.333 3.072 1.00 0.45 H new ATOM 0 HD21 ASN A 85 -10.765 -9.582 2.737 1.00 0.66 H new ATOM 0 HD22 ASN A 85 -10.369 -8.190 3.750 1.00 0.66 H new ATOM 964 N THR A 86 -12.847 -6.028 0.346 1.00 0.84 N ATOM 965 CA THR A 86 -13.644 -5.563 -0.801 1.00 1.08 C ATOM 966 C THR A 86 -14.663 -4.496 -0.400 1.00 0.93 C ATOM 967 O THR A 86 -14.848 -3.545 -1.154 1.00 0.95 O ATOM 968 CB THR A 86 -14.398 -6.720 -1.473 1.00 1.54 C ATOM 969 OG1 THR A 86 -15.225 -7.364 -0.533 1.00 2.19 O ATOM 970 CG2 THR A 86 -13.473 -7.784 -2.052 1.00 1.68 C ATOM 0 H THR A 86 -12.963 -7.019 0.557 1.00 0.84 H new ATOM 0 HA THR A 86 -12.929 -5.132 -1.502 1.00 1.08 H new ATOM 0 HB THR A 86 -14.969 -6.270 -2.285 1.00 1.54 H new ATOM 0 HG1 THR A 86 -15.704 -8.100 -0.969 1.00 2.19 H new ATOM 0 HG21 THR A 86 -14.069 -8.573 -2.512 1.00 1.68 H new ATOM 0 HG22 THR A 86 -12.825 -7.333 -2.804 1.00 1.68 H new ATOM 0 HG23 THR A 86 -12.863 -8.208 -1.255 1.00 1.68 H new ATOM 978 N ASN A 87 -15.225 -4.570 0.814 1.00 0.82 N ATOM 979 CA ASN A 87 -16.236 -3.622 1.323 1.00 0.77 C ATOM 980 C ASN A 87 -15.624 -2.300 1.855 1.00 0.53 C ATOM 981 O ASN A 87 -16.294 -1.540 2.561 1.00 0.53 O ATOM 982 CB ASN A 87 -17.130 -4.321 2.377 1.00 0.98 C ATOM 983 CG ASN A 87 -18.117 -5.353 1.837 1.00 1.47 C ATOM 984 OD1 ASN A 87 -18.418 -5.439 0.651 1.00 1.72 O ATOM 985 ND2 ASN A 87 -18.702 -6.126 2.721 1.00 2.19 N ATOM 0 H ASN A 87 -14.989 -5.301 1.484 1.00 0.82 H new ATOM 0 HA ASN A 87 -16.859 -3.323 0.480 1.00 0.77 H new ATOM 0 HB2 ASN A 87 -16.484 -4.811 3.105 1.00 0.98 H new ATOM 0 HB3 ASN A 87 -17.691 -3.556 2.913 1.00 0.98 H new ATOM 0 HD21 ASN A 87 -19.408 -6.799 2.422 1.00 2.19 H new ATOM 0 HD22 ASN A 87 -18.451 -6.054 3.707 1.00 2.19 H new ATOM 992 N ASN A 88 -14.339 -2.028 1.572 1.00 0.49 N ATOM 993 CA ASN A 88 -13.566 -0.908 2.117 1.00 0.47 C ATOM 994 C ASN A 88 -13.510 -0.948 3.662 1.00 0.42 C ATOM 995 O ASN A 88 -13.401 0.085 4.320 1.00 0.45 O ATOM 996 CB ASN A 88 -14.020 0.447 1.519 1.00 0.53 C ATOM 997 CG ASN A 88 -14.576 0.370 0.101 1.00 0.56 C ATOM 998 OD1 ASN A 88 -15.766 0.188 -0.126 1.00 0.68 O ATOM 999 ND2 ASN A 88 -13.743 0.479 -0.907 1.00 0.53 N ATOM 0 H ASN A 88 -13.793 -2.606 0.933 1.00 0.49 H new ATOM 0 HA ASN A 88 -12.530 -1.020 1.798 1.00 0.47 H new ATOM 0 HB2 ASN A 88 -14.782 0.877 2.169 1.00 0.53 H new ATOM 0 HB3 ASN A 88 -13.172 1.132 1.524 1.00 0.53 H new ATOM 0 HD21 ASN A 88 -14.089 0.412 -1.864 1.00 0.53 H new ATOM 0 HD22 ASN A 88 -12.749 0.631 -0.733 1.00 0.53 H new ATOM 1006 N GLU A 89 -13.631 -2.150 4.243 1.00 0.39 N ATOM 1007 CA GLU A 89 -13.627 -2.387 5.688 1.00 0.39 C ATOM 1008 C GLU A 89 -12.235 -2.714 6.201 1.00 0.36 C ATOM 1009 O GLU A 89 -11.493 -3.438 5.540 1.00 0.36 O ATOM 1010 CB GLU A 89 -14.556 -3.543 6.071 1.00 0.48 C ATOM 1011 CG GLU A 89 -15.976 -3.023 6.345 1.00 0.61 C ATOM 1012 CD GLU A 89 -16.897 -4.107 6.902 1.00 0.98 C ATOM 1013 OE1 GLU A 89 -16.647 -4.583 8.036 1.00 1.83 O ATOM 1014 OE2 GLU A 89 -17.900 -4.462 6.246 1.00 1.93 O ATOM 0 H GLU A 89 -13.737 -3.008 3.702 1.00 0.39 H new ATOM 0 HA GLU A 89 -13.979 -1.462 6.145 1.00 0.39 H new ATOM 0 HB2 GLU A 89 -14.581 -4.279 5.268 1.00 0.48 H new ATOM 0 HB3 GLU A 89 -14.171 -4.049 6.956 1.00 0.48 H new ATOM 0 HG2 GLU A 89 -15.926 -2.194 7.051 1.00 0.61 H new ATOM 0 HG3 GLU A 89 -16.400 -2.629 5.421 1.00 0.61 H new ATOM 1021 N ILE A 90 -11.912 -2.240 7.401 1.00 0.37 N ATOM 1022 CA ILE A 90 -10.604 -2.439 8.017 1.00 0.37 C ATOM 1023 C ILE A 90 -10.500 -3.854 8.605 1.00 0.37 C ATOM 1024 O ILE A 90 -11.312 -4.256 9.441 1.00 0.39 O ATOM 1025 CB ILE A 90 -10.297 -1.360 9.073 1.00 0.41 C ATOM 1026 CG1 ILE A 90 -10.656 0.058 8.577 1.00 0.42 C ATOM 1027 CG2 ILE A 90 -8.798 -1.455 9.408 1.00 0.42 C ATOM 1028 CD1 ILE A 90 -10.275 1.163 9.562 1.00 0.47 C ATOM 0 H ILE A 90 -12.558 -1.702 7.979 1.00 0.37 H new ATOM 0 HA ILE A 90 -9.847 -2.337 7.240 1.00 0.37 H new ATOM 0 HB ILE A 90 -10.906 -1.535 9.960 1.00 0.41 H new ATOM 0 HG12 ILE A 90 -10.154 0.240 7.627 1.00 0.42 H new ATOM 0 HG13 ILE A 90 -11.728 0.107 8.385 1.00 0.42 H new ATOM 0 HG21 ILE A 90 -8.544 -0.703 10.155 1.00 0.42 H new ATOM 0 HG22 ILE A 90 -8.575 -2.447 9.801 1.00 0.42 H new ATOM 0 HG23 ILE A 90 -8.212 -1.282 8.505 1.00 0.42 H new ATOM 0 HD11 ILE A 90 -10.556 2.132 9.149 1.00 0.47 H new ATOM 0 HD12 ILE A 90 -10.798 1.006 10.505 1.00 0.47 H new ATOM 0 HD13 ILE A 90 -9.199 1.141 9.735 1.00 0.47 H new ATOM 1040 N ILE A 91 -9.476 -4.586 8.176 1.00 0.37 N ATOM 1041 CA ILE A 91 -9.140 -5.946 8.637 1.00 0.33 C ATOM 1042 C ILE A 91 -7.811 -6.061 9.409 1.00 0.30 C ATOM 1043 O ILE A 91 -6.890 -5.259 9.264 1.00 0.30 O ATOM 1044 CB ILE A 91 -9.234 -6.969 7.484 1.00 0.33 C ATOM 1045 CG1 ILE A 91 -8.142 -6.805 6.402 1.00 0.30 C ATOM 1046 CG2 ILE A 91 -10.601 -6.886 6.793 1.00 0.45 C ATOM 1047 CD1 ILE A 91 -7.614 -8.168 5.946 1.00 0.53 C ATOM 0 H ILE A 91 -8.826 -4.242 7.469 1.00 0.37 H new ATOM 0 HA ILE A 91 -9.901 -6.192 9.378 1.00 0.33 H new ATOM 0 HB ILE A 91 -9.088 -7.939 7.960 1.00 0.33 H new ATOM 0 HG12 ILE A 91 -8.549 -6.264 5.548 1.00 0.30 H new ATOM 0 HG13 ILE A 91 -7.321 -6.206 6.796 1.00 0.30 H new ATOM 0 HG21 ILE A 91 -10.645 -7.615 5.984 1.00 0.45 H new ATOM 0 HG22 ILE A 91 -11.388 -7.099 7.517 1.00 0.45 H new ATOM 0 HG23 ILE A 91 -10.743 -5.885 6.387 1.00 0.45 H new ATOM 0 HD11 ILE A 91 -6.847 -8.025 5.185 1.00 0.53 H new ATOM 0 HD12 ILE A 91 -7.186 -8.696 6.798 1.00 0.53 H new ATOM 0 HD13 ILE A 91 -8.433 -8.755 5.530 1.00 0.53 H new ATOM 1059 N ASP A 92 -7.739 -7.079 10.261 1.00 0.32 N ATOM 1060 CA ASP A 92 -6.556 -7.616 10.942 1.00 0.35 C ATOM 1061 C ASP A 92 -5.921 -8.697 10.048 1.00 0.38 C ATOM 1062 O ASP A 92 -6.592 -9.287 9.202 1.00 0.44 O ATOM 1063 CB ASP A 92 -7.033 -8.170 12.300 1.00 0.42 C ATOM 1064 CG ASP A 92 -6.093 -9.108 13.056 1.00 0.69 C ATOM 1065 OD1 ASP A 92 -5.914 -10.260 12.604 1.00 1.79 O ATOM 1066 OD2 ASP A 92 -5.682 -8.776 14.196 1.00 1.72 O ATOM 0 H ASP A 92 -8.579 -7.598 10.518 1.00 0.32 H new ATOM 0 HA ASP A 92 -5.791 -6.860 11.121 1.00 0.35 H new ATOM 0 HB2 ASP A 92 -7.254 -7.322 12.949 1.00 0.42 H new ATOM 0 HB3 ASP A 92 -7.972 -8.698 12.135 1.00 0.42 H new ATOM 1071 N GLU A 93 -4.635 -8.983 10.242 1.00 0.40 N ATOM 1072 CA GLU A 93 -3.846 -9.908 9.405 1.00 0.45 C ATOM 1073 C GLU A 93 -4.426 -11.320 9.248 1.00 0.50 C ATOM 1074 O GLU A 93 -4.135 -11.980 8.256 1.00 0.70 O ATOM 1075 CB GLU A 93 -2.422 -10.023 9.966 1.00 0.62 C ATOM 1076 CG GLU A 93 -2.392 -10.657 11.370 1.00 0.81 C ATOM 1077 CD GLU A 93 -1.016 -10.649 12.032 1.00 1.15 C ATOM 1078 OE1 GLU A 93 -0.227 -9.689 11.848 1.00 1.63 O ATOM 1079 OE2 GLU A 93 -0.763 -11.577 12.840 1.00 2.38 O ATOM 0 H GLU A 93 -4.092 -8.572 11.002 1.00 0.40 H new ATOM 0 HA GLU A 93 -3.864 -9.466 8.409 1.00 0.45 H new ATOM 0 HB2 GLU A 93 -1.814 -10.622 9.287 1.00 0.62 H new ATOM 0 HB3 GLU A 93 -1.970 -9.032 10.008 1.00 0.62 H new ATOM 0 HG2 GLU A 93 -3.094 -10.125 12.012 1.00 0.81 H new ATOM 0 HG3 GLU A 93 -2.742 -11.687 11.299 1.00 0.81 H new ATOM 1086 N ASN A 94 -5.251 -11.798 10.186 1.00 0.49 N ATOM 1087 CA ASN A 94 -5.900 -13.109 10.078 1.00 0.52 C ATOM 1088 C ASN A 94 -7.238 -13.044 9.297 1.00 0.50 C ATOM 1089 O ASN A 94 -7.983 -14.028 9.250 1.00 0.57 O ATOM 1090 CB ASN A 94 -5.923 -13.832 11.437 1.00 0.60 C ATOM 1091 CG ASN A 94 -7.204 -13.665 12.209 1.00 1.81 C ATOM 1092 OD1 ASN A 94 -7.919 -14.616 12.497 1.00 2.93 O ATOM 1093 ND2 ASN A 94 -7.549 -12.461 12.570 1.00 2.45 N ATOM 0 H ASN A 94 -5.487 -11.289 11.038 1.00 0.49 H new ATOM 0 HA ASN A 94 -5.293 -13.759 9.447 1.00 0.52 H new ATOM 0 HB2 ASN A 94 -5.749 -14.895 11.272 1.00 0.60 H new ATOM 0 HB3 ASN A 94 -5.096 -13.464 12.045 1.00 0.60 H new ATOM 0 HD21 ASN A 94 -8.413 -12.313 13.091 1.00 2.45 H new ATOM 0 HD22 ASN A 94 -6.955 -11.667 12.331 1.00 2.45 H new ATOM 1100 N GLY A 95 -7.565 -11.884 8.705 1.00 0.45 N ATOM 1101 CA GLY A 95 -8.777 -11.630 7.926 1.00 0.48 C ATOM 1102 C GLY A 95 -10.018 -11.414 8.788 1.00 0.55 C ATOM 1103 O GLY A 95 -11.144 -11.554 8.312 1.00 0.76 O ATOM 0 H GLY A 95 -6.961 -11.064 8.762 1.00 0.45 H new ATOM 0 HA2 GLY A 95 -8.621 -10.751 7.301 1.00 0.48 H new ATOM 0 HA3 GLY A 95 -8.952 -12.471 7.255 1.00 0.48 H new ATOM 1107 N GLN A 96 -9.824 -11.091 10.068 1.00 0.47 N ATOM 1108 CA GLN A 96 -10.893 -10.636 10.950 1.00 0.53 C ATOM 1109 C GLN A 96 -11.175 -9.150 10.718 1.00 0.48 C ATOM 1110 O GLN A 96 -10.243 -8.359 10.590 1.00 0.40 O ATOM 1111 CB GLN A 96 -10.538 -10.961 12.402 1.00 0.63 C ATOM 1112 CG GLN A 96 -11.633 -10.445 13.339 1.00 0.80 C ATOM 1113 CD GLN A 96 -11.600 -11.047 14.730 1.00 1.35 C ATOM 1114 OE1 GLN A 96 -10.783 -11.897 15.089 1.00 2.15 O ATOM 1115 NE2 GLN A 96 -12.532 -10.623 15.540 1.00 1.63 N ATOM 0 H GLN A 96 -8.912 -11.139 10.522 1.00 0.47 H new ATOM 0 HA GLN A 96 -11.818 -11.165 10.721 1.00 0.53 H new ATOM 0 HB2 GLN A 96 -10.422 -12.038 12.524 1.00 0.63 H new ATOM 0 HB3 GLN A 96 -9.582 -10.506 12.662 1.00 0.63 H new ATOM 0 HG2 GLN A 96 -11.543 -9.362 13.423 1.00 0.80 H new ATOM 0 HG3 GLN A 96 -12.605 -10.650 12.890 1.00 0.80 H new ATOM 0 HE21 GLN A 96 -13.200 -9.919 15.225 1.00 1.63 H new ATOM 0 HE22 GLN A 96 -12.593 -10.996 16.487 1.00 1.63 H new ATOM 1124 N THR A 97 -12.448 -8.763 10.686 1.00 0.56 N ATOM 1125 CA THR A 97 -12.876 -7.385 10.425 1.00 0.52 C ATOM 1126 C THR A 97 -13.135 -6.629 11.736 1.00 0.55 C ATOM 1127 O THR A 97 -13.520 -7.226 12.747 1.00 0.65 O ATOM 1128 CB THR A 97 -14.051 -7.354 9.438 1.00 0.60 C ATOM 1129 OG1 THR A 97 -15.243 -7.786 10.035 1.00 0.76 O ATOM 1130 CG2 THR A 97 -13.837 -8.271 8.225 1.00 0.59 C ATOM 0 H THR A 97 -13.225 -9.405 10.843 1.00 0.56 H new ATOM 0 HA THR A 97 -12.065 -6.846 9.934 1.00 0.52 H new ATOM 0 HB THR A 97 -14.112 -6.312 9.124 1.00 0.60 H new ATOM 0 HG1 THR A 97 -15.969 -7.751 9.378 1.00 0.76 H new ATOM 0 HG21 THR A 97 -14.701 -8.207 7.563 1.00 0.59 H new ATOM 0 HG22 THR A 97 -12.943 -7.958 7.686 1.00 0.59 H new ATOM 0 HG23 THR A 97 -13.715 -9.300 8.564 1.00 0.59 H new ATOM 1138 N LEU A 98 -12.850 -5.322 11.751 1.00 0.54 N ATOM 1139 CA LEU A 98 -12.800 -4.503 12.975 1.00 0.58 C ATOM 1140 C LEU A 98 -14.072 -3.673 13.244 1.00 0.63 C ATOM 1141 O LEU A 98 -14.171 -3.031 14.295 1.00 0.75 O ATOM 1142 CB LEU A 98 -11.538 -3.610 12.935 1.00 0.55 C ATOM 1143 CG LEU A 98 -10.186 -4.271 13.279 1.00 0.55 C ATOM 1144 CD1 LEU A 98 -10.097 -4.738 14.732 1.00 0.61 C ATOM 1145 CD2 LEU A 98 -9.793 -5.441 12.390 1.00 0.52 C ATOM 0 H LEU A 98 -12.644 -4.793 10.904 1.00 0.54 H new ATOM 0 HA LEU A 98 -12.748 -5.194 13.817 1.00 0.58 H new ATOM 0 HB2 LEU A 98 -11.459 -3.184 11.935 1.00 0.55 H new ATOM 0 HB3 LEU A 98 -11.691 -2.780 13.624 1.00 0.55 H new ATOM 0 HG LEU A 98 -9.483 -3.458 13.099 1.00 0.55 H new ATOM 0 HD11 LEU A 98 -9.123 -5.193 14.909 1.00 0.61 H new ATOM 0 HD12 LEU A 98 -10.224 -3.884 15.397 1.00 0.61 H new ATOM 0 HD13 LEU A 98 -10.880 -5.470 14.927 1.00 0.61 H new ATOM 0 HD21 LEU A 98 -8.829 -5.835 12.713 1.00 0.52 H new ATOM 0 HD22 LEU A 98 -10.548 -6.223 12.463 1.00 0.52 H new ATOM 0 HD23 LEU A 98 -9.719 -5.104 11.356 1.00 0.52 H new ATOM 1157 N GLY A 99 -15.037 -3.658 12.322 1.00 0.59 N ATOM 1158 CA GLY A 99 -16.265 -2.863 12.427 1.00 0.62 C ATOM 1159 C GLY A 99 -16.089 -1.395 12.018 1.00 0.60 C ATOM 1160 O GLY A 99 -16.787 -0.525 12.552 1.00 0.67 O ATOM 0 H GLY A 99 -14.987 -4.208 11.465 1.00 0.59 H new ATOM 0 HA2 GLY A 99 -17.034 -3.315 11.801 1.00 0.62 H new ATOM 0 HA3 GLY A 99 -16.626 -2.903 13.455 1.00 0.62 H new ATOM 1164 N VAL A 100 -15.137 -1.110 11.122 1.00 0.56 N ATOM 1165 CA VAL A 100 -14.878 0.227 10.556 1.00 0.58 C ATOM 1166 C VAL A 100 -14.691 0.140 9.039 1.00 0.54 C ATOM 1167 O VAL A 100 -14.159 -0.851 8.530 1.00 0.50 O ATOM 1168 CB VAL A 100 -13.659 0.900 11.220 1.00 0.59 C ATOM 1169 CG1 VAL A 100 -13.446 2.348 10.750 1.00 1.06 C ATOM 1170 CG2 VAL A 100 -13.795 0.962 12.743 1.00 1.13 C ATOM 0 H VAL A 100 -14.504 -1.822 10.757 1.00 0.56 H new ATOM 0 HA VAL A 100 -15.748 0.850 10.765 1.00 0.58 H new ATOM 0 HB VAL A 100 -12.815 0.277 10.925 1.00 0.59 H new ATOM 0 HG11 VAL A 100 -12.574 2.769 11.251 1.00 1.06 H new ATOM 0 HG12 VAL A 100 -13.286 2.361 9.672 1.00 1.06 H new ATOM 0 HG13 VAL A 100 -14.327 2.943 10.993 1.00 1.06 H new ATOM 0 HG21 VAL A 100 -12.914 1.444 13.168 1.00 1.13 H new ATOM 0 HG22 VAL A 100 -14.684 1.535 13.006 1.00 1.13 H new ATOM 0 HG23 VAL A 100 -13.884 -0.049 13.142 1.00 1.13 H new ATOM 1180 N ASN A 101 -15.096 1.189 8.321 1.00 0.57 N ATOM 1181 CA ASN A 101 -15.042 1.387 6.888 1.00 0.52 C ATOM 1182 C ASN A 101 -14.406 2.750 6.539 1.00 0.50 C ATOM 1183 O ASN A 101 -14.398 3.676 7.352 1.00 0.56 O ATOM 1184 CB ASN A 101 -16.506 1.293 6.424 1.00 0.58 C ATOM 1185 CG ASN A 101 -16.787 2.004 5.129 1.00 0.83 C ATOM 1186 OD1 ASN A 101 -17.201 3.158 5.113 1.00 1.33 O ATOM 1187 ND2 ASN A 101 -16.521 1.398 4.009 1.00 0.87 N ATOM 0 H ASN A 101 -15.510 1.998 8.785 1.00 0.57 H new ATOM 0 HA ASN A 101 -14.418 0.646 6.388 1.00 0.52 H new ATOM 0 HB2 ASN A 101 -16.774 0.242 6.315 1.00 0.58 H new ATOM 0 HB3 ASN A 101 -17.149 1.707 7.200 1.00 0.58 H new ATOM 0 HD21 ASN A 101 -16.657 1.883 3.122 1.00 0.87 H new ATOM 0 HD22 ASN A 101 -16.176 0.438 4.018 1.00 0.87 H new ATOM 1194 N ILE A 102 -13.897 2.869 5.310 1.00 0.46 N ATOM 1195 CA ILE A 102 -13.139 4.027 4.805 1.00 0.45 C ATOM 1196 C ILE A 102 -13.655 4.468 3.413 1.00 0.47 C ATOM 1197 O ILE A 102 -13.950 3.629 2.560 1.00 0.54 O ATOM 1198 CB ILE A 102 -11.617 3.702 4.818 1.00 0.43 C ATOM 1199 CG1 ILE A 102 -11.108 3.300 6.230 1.00 0.41 C ATOM 1200 CG2 ILE A 102 -10.849 4.934 4.327 1.00 0.44 C ATOM 1201 CD1 ILE A 102 -9.658 2.790 6.310 1.00 0.39 C ATOM 0 H ILE A 102 -14.003 2.136 4.609 1.00 0.46 H new ATOM 0 HA ILE A 102 -13.296 4.881 5.464 1.00 0.45 H new ATOM 0 HB ILE A 102 -11.448 2.848 4.161 1.00 0.43 H new ATOM 0 HG12 ILE A 102 -11.204 4.164 6.888 1.00 0.41 H new ATOM 0 HG13 ILE A 102 -11.766 2.525 6.624 1.00 0.41 H new ATOM 0 HG21 ILE A 102 -9.780 4.722 4.331 1.00 0.44 H new ATOM 0 HG22 ILE A 102 -11.167 5.181 3.314 1.00 0.44 H new ATOM 0 HG23 ILE A 102 -11.054 5.777 4.987 1.00 0.44 H new ATOM 0 HD11 ILE A 102 -9.416 2.541 7.343 1.00 0.39 H new ATOM 0 HD12 ILE A 102 -9.550 1.902 5.688 1.00 0.39 H new ATOM 0 HD13 ILE A 102 -8.979 3.566 5.956 1.00 0.39 H new ATOM 1213 N ASP A 103 -13.767 5.778 3.141 1.00 0.47 N ATOM 1214 CA ASP A 103 -14.068 6.294 1.794 1.00 0.48 C ATOM 1215 C ASP A 103 -12.838 6.225 0.860 1.00 0.45 C ATOM 1216 O ASP A 103 -11.760 6.612 1.309 1.00 0.45 O ATOM 1217 CB ASP A 103 -14.475 7.769 1.896 1.00 0.56 C ATOM 1218 CG ASP A 103 -15.325 8.160 0.704 1.00 0.80 C ATOM 1219 OD1 ASP A 103 -14.732 8.526 -0.333 1.00 2.16 O ATOM 1220 OD2 ASP A 103 -16.573 8.032 0.762 1.00 1.72 O ATOM 0 H ASP A 103 -13.652 6.507 3.845 1.00 0.47 H new ATOM 0 HA ASP A 103 -14.867 5.677 1.384 1.00 0.48 H new ATOM 0 HB2 ASP A 103 -15.030 7.938 2.819 1.00 0.56 H new ATOM 0 HB3 ASP A 103 -13.585 8.397 1.939 1.00 0.56 H new ATOM 1225 N PRO A 104 -12.926 5.849 -0.433 1.00 0.48 N ATOM 1226 CA PRO A 104 -11.754 5.858 -1.318 1.00 0.47 C ATOM 1227 C PRO A 104 -11.295 7.267 -1.711 1.00 0.54 C ATOM 1228 O PRO A 104 -10.156 7.452 -2.137 1.00 0.58 O ATOM 1229 CB PRO A 104 -12.152 4.998 -2.516 1.00 0.51 C ATOM 1230 CG PRO A 104 -13.667 5.142 -2.605 1.00 0.66 C ATOM 1231 CD PRO A 104 -14.120 5.468 -1.181 1.00 0.55 C ATOM 0 HA PRO A 104 -10.877 5.454 -0.812 1.00 0.47 H new ATOM 0 HB2 PRO A 104 -11.667 5.342 -3.430 1.00 0.51 H new ATOM 0 HB3 PRO A 104 -11.860 3.958 -2.372 1.00 0.51 H new ATOM 0 HG2 PRO A 104 -13.948 5.934 -3.299 1.00 0.66 H new ATOM 0 HG3 PRO A 104 -14.130 4.223 -2.966 1.00 0.66 H new ATOM 0 HD2 PRO A 104 -14.849 6.278 -1.184 1.00 0.55 H new ATOM 0 HD3 PRO A 104 -14.604 4.606 -0.723 1.00 0.55 H new ATOM 1239 N GLN A 105 -12.171 8.264 -1.601 1.00 0.59 N ATOM 1240 CA GLN A 105 -11.936 9.658 -1.975 1.00 0.67 C ATOM 1241 C GLN A 105 -11.563 10.522 -0.766 1.00 0.70 C ATOM 1242 O GLN A 105 -10.609 11.300 -0.829 1.00 0.80 O ATOM 1243 CB GLN A 105 -13.184 10.190 -2.698 1.00 0.73 C ATOM 1244 CG GLN A 105 -13.710 9.259 -3.795 1.00 0.75 C ATOM 1245 CD GLN A 105 -12.748 9.016 -4.958 1.00 0.77 C ATOM 1246 OE1 GLN A 105 -12.953 9.460 -6.081 1.00 1.17 O ATOM 1247 NE2 GLN A 105 -11.674 8.291 -4.745 1.00 1.28 N ATOM 0 H GLN A 105 -13.110 8.115 -1.231 1.00 0.59 H new ATOM 0 HA GLN A 105 -11.081 9.709 -2.649 1.00 0.67 H new ATOM 0 HB2 GLN A 105 -13.974 10.355 -1.965 1.00 0.73 H new ATOM 0 HB3 GLN A 105 -12.951 11.159 -3.139 1.00 0.73 H new ATOM 0 HG2 GLN A 105 -13.961 8.298 -3.345 1.00 0.75 H new ATOM 0 HG3 GLN A 105 -14.636 9.677 -4.191 1.00 0.75 H new ATOM 0 HE21 GLN A 105 -11.489 7.914 -3.815 1.00 1.28 H new ATOM 0 HE22 GLN A 105 -11.025 8.105 -5.509 1.00 1.28 H new ATOM 1256 N THR A 106 -12.277 10.362 0.350 1.00 0.66 N ATOM 1257 CA THR A 106 -12.067 11.164 1.575 1.00 0.70 C ATOM 1258 C THR A 106 -11.056 10.539 2.530 1.00 0.69 C ATOM 1259 O THR A 106 -10.507 11.232 3.385 1.00 0.81 O ATOM 1260 CB THR A 106 -13.386 11.435 2.324 1.00 0.72 C ATOM 1261 OG1 THR A 106 -13.765 10.376 3.157 1.00 0.68 O ATOM 1262 CG2 THR A 106 -14.534 11.681 1.356 1.00 0.75 C ATOM 0 H THR A 106 -13.023 9.671 0.438 1.00 0.66 H new ATOM 0 HA THR A 106 -11.658 12.113 1.228 1.00 0.70 H new ATOM 0 HB THR A 106 -13.192 12.320 2.929 1.00 0.72 H new ATOM 0 HG1 THR A 106 -14.676 10.527 3.484 1.00 0.68 H new ATOM 0 HG21 THR A 106 -15.449 11.869 1.917 1.00 0.75 H new ATOM 0 HG22 THR A 106 -14.306 12.546 0.734 1.00 0.75 H new ATOM 0 HG23 THR A 106 -14.670 10.804 0.723 1.00 0.75 H new ATOM 1270 N PHE A 107 -10.825 9.227 2.410 1.00 0.59 N ATOM 1271 CA PHE A 107 -10.020 8.414 3.334 1.00 0.59 C ATOM 1272 C PHE A 107 -10.473 8.510 4.816 1.00 0.66 C ATOM 1273 O PHE A 107 -9.704 8.169 5.719 1.00 0.74 O ATOM 1274 CB PHE A 107 -8.512 8.684 3.119 1.00 0.68 C ATOM 1275 CG PHE A 107 -7.814 8.179 1.857 1.00 0.55 C ATOM 1276 CD1 PHE A 107 -8.373 7.240 0.960 1.00 1.53 C ATOM 1277 CD2 PHE A 107 -6.482 8.586 1.653 1.00 1.69 C ATOM 1278 CE1 PHE A 107 -7.576 6.650 -0.029 1.00 1.49 C ATOM 1279 CE2 PHE A 107 -5.707 8.045 0.614 1.00 1.82 C ATOM 1280 CZ PHE A 107 -6.244 7.051 -0.216 1.00 0.80 C ATOM 0 H PHE A 107 -11.207 8.680 1.638 1.00 0.59 H new ATOM 0 HA PHE A 107 -10.200 7.368 3.086 1.00 0.59 H new ATOM 0 HB2 PHE A 107 -8.368 9.764 3.158 1.00 0.68 H new ATOM 0 HB3 PHE A 107 -7.983 8.261 3.973 1.00 0.68 H new ATOM 0 HD1 PHE A 107 -9.418 6.977 1.038 1.00 1.53 H new ATOM 0 HD2 PHE A 107 -6.048 9.328 2.307 1.00 1.69 H new ATOM 0 HE1 PHE A 107 -7.992 5.876 -0.656 1.00 1.49 H new ATOM 0 HE2 PHE A 107 -4.698 8.395 0.455 1.00 1.82 H new ATOM 0 HZ PHE A 107 -5.640 6.600 -0.989 1.00 0.80 H new ATOM 1290 N LYS A 108 -11.710 8.959 5.099 1.00 0.65 N ATOM 1291 CA LYS A 108 -12.229 9.149 6.468 1.00 0.70 C ATOM 1292 C LYS A 108 -12.966 7.910 7.001 1.00 0.68 C ATOM 1293 O LYS A 108 -13.598 7.166 6.246 1.00 0.67 O ATOM 1294 CB LYS A 108 -13.030 10.469 6.563 1.00 0.80 C ATOM 1295 CG LYS A 108 -14.535 10.338 6.277 1.00 0.85 C ATOM 1296 CD LYS A 108 -15.372 10.073 7.542 1.00 1.16 C ATOM 1297 CE LYS A 108 -16.490 9.069 7.250 1.00 1.69 C ATOM 1298 NZ LYS A 108 -17.387 8.889 8.413 1.00 2.66 N ATOM 0 H LYS A 108 -12.386 9.203 4.375 1.00 0.65 H new ATOM 0 HA LYS A 108 -11.384 9.256 7.148 1.00 0.70 H new ATOM 0 HB2 LYS A 108 -12.900 10.884 7.563 1.00 0.80 H new ATOM 0 HB3 LYS A 108 -12.603 11.187 5.862 1.00 0.80 H new ATOM 0 HG2 LYS A 108 -14.889 11.252 5.800 1.00 0.85 H new ATOM 0 HG3 LYS A 108 -14.694 9.526 5.567 1.00 0.85 H new ATOM 0 HD2 LYS A 108 -14.730 9.690 8.335 1.00 1.16 H new ATOM 0 HD3 LYS A 108 -15.801 11.008 7.903 1.00 1.16 H new ATOM 0 HE2 LYS A 108 -17.071 9.411 6.393 1.00 1.69 H new ATOM 0 HE3 LYS A 108 -16.053 8.109 6.976 1.00 1.69 H new ATOM 0 HZ1 LYS A 108 -18.221 8.338 8.126 1.00 2.66 H new ATOM 0 HZ2 LYS A 108 -16.880 8.383 9.167 1.00 2.66 H new ATOM 0 HZ3 LYS A 108 -17.691 9.819 8.764 1.00 2.66 H new ATOM 1312 N LEU A 109 -12.901 7.711 8.316 1.00 0.72 N ATOM 1313 CA LEU A 109 -13.350 6.512 9.031 1.00 0.71 C ATOM 1314 C LEU A 109 -14.834 6.561 9.429 1.00 0.77 C ATOM 1315 O LEU A 109 -15.348 7.591 9.872 1.00 0.84 O ATOM 1316 CB LEU A 109 -12.465 6.343 10.279 1.00 0.72 C ATOM 1317 CG LEU A 109 -10.989 6.050 9.952 1.00 0.66 C ATOM 1318 CD1 LEU A 109 -10.058 6.461 11.086 1.00 0.72 C ATOM 1319 CD2 LEU A 109 -10.776 4.562 9.735 1.00 0.57 C ATOM 0 H LEU A 109 -12.515 8.415 8.945 1.00 0.72 H new ATOM 0 HA LEU A 109 -13.253 5.659 8.360 1.00 0.71 H new ATOM 0 HB2 LEU A 109 -12.522 7.250 10.880 1.00 0.72 H new ATOM 0 HB3 LEU A 109 -12.862 5.531 10.888 1.00 0.72 H new ATOM 0 HG LEU A 109 -10.760 6.624 9.054 1.00 0.66 H new ATOM 0 HD11 LEU A 109 -9.028 6.236 10.811 1.00 0.72 H new ATOM 0 HD12 LEU A 109 -10.159 7.531 11.270 1.00 0.72 H new ATOM 0 HD13 LEU A 109 -10.321 5.911 11.990 1.00 0.72 H new ATOM 0 HD21 LEU A 109 -9.727 4.374 9.505 1.00 0.57 H new ATOM 0 HD22 LEU A 109 -11.052 4.019 10.639 1.00 0.57 H new ATOM 0 HD23 LEU A 109 -11.396 4.223 8.905 1.00 0.57 H new ATOM 1331 N SER A 110 -15.524 5.422 9.354 1.00 0.76 N ATOM 1332 CA SER A 110 -16.898 5.255 9.865 1.00 0.82 C ATOM 1333 C SER A 110 -16.999 5.243 11.405 1.00 0.91 C ATOM 1334 O SER A 110 -18.105 5.281 11.948 1.00 1.07 O ATOM 1335 CB SER A 110 -17.512 3.977 9.291 1.00 0.85 C ATOM 1336 OG SER A 110 -16.845 2.859 9.825 1.00 1.32 O ATOM 0 H SER A 110 -15.145 4.574 8.932 1.00 0.76 H new ATOM 0 HA SER A 110 -17.455 6.131 9.534 1.00 0.82 H new ATOM 0 HB2 SER A 110 -18.574 3.930 9.532 1.00 0.85 H new ATOM 0 HB3 SER A 110 -17.431 3.978 8.204 1.00 0.85 H new ATOM 0 HG SER A 110 -17.334 2.043 9.589 1.00 1.32 H new ATOM 1342 N GLY A 111 -15.866 5.231 12.112 1.00 0.93 N ATOM 1343 CA GLY A 111 -15.789 5.158 13.574 1.00 1.02 C ATOM 1344 C GLY A 111 -14.398 5.502 14.115 1.00 1.00 C ATOM 1345 O GLY A 111 -13.587 6.121 13.422 1.00 1.00 O ATOM 0 H GLY A 111 -14.948 5.273 11.669 1.00 0.93 H new ATOM 0 HA2 GLY A 111 -16.521 5.841 14.006 1.00 1.02 H new ATOM 0 HA3 GLY A 111 -16.061 4.153 13.898 1.00 1.02 H new ATOM 1349 N ALA A 112 -14.118 5.102 15.355 1.00 1.06 N ATOM 1350 CA ALA A 112 -12.819 5.283 16.009 1.00 1.10 C ATOM 1351 C ALA A 112 -11.722 4.347 15.459 1.00 0.97 C ATOM 1352 O ALA A 112 -12.015 3.320 14.840 1.00 0.90 O ATOM 1353 CB ALA A 112 -13.022 5.070 17.514 1.00 1.29 C ATOM 0 H ALA A 112 -14.803 4.632 15.948 1.00 1.06 H new ATOM 0 HA ALA A 112 -12.462 6.292 15.801 1.00 1.10 H new ATOM 0 HB1 ALA A 112 -12.071 5.198 18.031 1.00 1.29 H new ATOM 0 HB2 ALA A 112 -13.741 5.798 17.891 1.00 1.29 H new ATOM 0 HB3 ALA A 112 -13.399 4.063 17.691 1.00 1.29 H new ATOM 1359 N MET A 113 -10.455 4.679 15.729 1.00 1.01 N ATOM 1360 CA MET A 113 -9.284 3.863 15.385 1.00 0.96 C ATOM 1361 C MET A 113 -9.409 2.396 15.866 1.00 0.95 C ATOM 1362 O MET A 113 -9.843 2.156 16.995 1.00 1.19 O ATOM 1363 CB MET A 113 -8.019 4.515 15.989 1.00 1.19 C ATOM 1364 CG MET A 113 -6.955 4.807 14.931 1.00 1.22 C ATOM 1365 SD MET A 113 -7.458 5.998 13.661 1.00 2.02 S ATOM 1366 CE MET A 113 -6.389 5.445 12.312 1.00 1.16 C ATOM 0 H MET A 113 -10.208 5.546 16.206 1.00 1.01 H new ATOM 0 HA MET A 113 -9.214 3.828 14.298 1.00 0.96 H new ATOM 0 HB2 MET A 113 -8.295 5.443 16.489 1.00 1.19 H new ATOM 0 HB3 MET A 113 -7.601 3.855 16.749 1.00 1.19 H new ATOM 0 HG2 MET A 113 -6.061 5.183 15.428 1.00 1.22 H new ATOM 0 HG3 MET A 113 -6.680 3.871 14.444 1.00 1.22 H new ATOM 0 HE1 MET A 113 -6.560 6.068 11.434 1.00 1.16 H new ATOM 0 HE2 MET A 113 -5.346 5.527 12.618 1.00 1.16 H new ATOM 0 HE3 MET A 113 -6.616 4.407 12.070 1.00 1.16 H new ATOM 1376 N PRO A 114 -9.030 1.399 15.043 1.00 0.74 N ATOM 1377 CA PRO A 114 -9.187 -0.025 15.358 1.00 0.75 C ATOM 1378 C PRO A 114 -8.120 -0.580 16.317 1.00 0.88 C ATOM 1379 O PRO A 114 -6.976 -0.125 16.321 1.00 1.01 O ATOM 1380 CB PRO A 114 -9.075 -0.732 14.010 1.00 0.58 C ATOM 1381 CG PRO A 114 -8.101 0.167 13.252 1.00 0.51 C ATOM 1382 CD PRO A 114 -8.539 1.551 13.681 1.00 0.61 C ATOM 0 HA PRO A 114 -10.135 -0.184 15.872 1.00 0.75 H new ATOM 0 HB2 PRO A 114 -8.694 -1.748 14.114 1.00 0.58 H new ATOM 0 HB3 PRO A 114 -10.039 -0.803 13.506 1.00 0.58 H new ATOM 0 HG2 PRO A 114 -7.065 -0.035 13.525 1.00 0.51 H new ATOM 0 HG3 PRO A 114 -8.178 0.032 12.173 1.00 0.51 H new ATOM 0 HD2 PRO A 114 -7.709 2.256 13.640 1.00 0.61 H new ATOM 0 HD3 PRO A 114 -9.318 1.937 13.024 1.00 0.61 H new ATOM 1390 N ALA A 115 -8.457 -1.651 17.042 1.00 0.94 N ATOM 1391 CA ALA A 115 -7.554 -2.318 17.984 1.00 1.04 C ATOM 1392 C ALA A 115 -6.365 -3.043 17.320 1.00 0.86 C ATOM 1393 O ALA A 115 -5.214 -2.699 17.582 1.00 1.20 O ATOM 1394 CB ALA A 115 -8.387 -3.287 18.828 1.00 1.24 C ATOM 0 H ALA A 115 -9.379 -2.085 16.990 1.00 0.94 H new ATOM 0 HA ALA A 115 -7.092 -1.549 18.604 1.00 1.04 H new ATOM 0 HB1 ALA A 115 -7.739 -3.799 19.540 1.00 1.24 H new ATOM 0 HB2 ALA A 115 -9.153 -2.732 19.369 1.00 1.24 H new ATOM 0 HB3 ALA A 115 -8.862 -4.021 18.177 1.00 1.24 H new ATOM 1400 N THR A 116 -6.625 -4.039 16.460 1.00 0.68 N ATOM 1401 CA THR A 116 -5.593 -4.962 15.923 1.00 0.54 C ATOM 1402 C THR A 116 -5.451 -4.933 14.394 1.00 0.47 C ATOM 1403 O THR A 116 -4.866 -5.835 13.796 1.00 0.50 O ATOM 1404 CB THR A 116 -5.790 -6.404 16.431 1.00 0.62 C ATOM 1405 OG1 THR A 116 -6.917 -7.007 15.833 1.00 0.97 O ATOM 1406 CG2 THR A 116 -5.974 -6.488 17.946 1.00 0.69 C ATOM 0 H THR A 116 -7.563 -4.235 16.110 1.00 0.68 H new ATOM 0 HA THR A 116 -4.650 -4.581 16.316 1.00 0.54 H new ATOM 0 HB THR A 116 -4.875 -6.928 16.156 1.00 0.62 H new ATOM 0 HG1 THR A 116 -6.622 -7.678 15.183 1.00 0.97 H new ATOM 0 HG21 THR A 116 -6.108 -7.529 18.239 1.00 0.69 H new ATOM 0 HG22 THR A 116 -5.093 -6.082 18.443 1.00 0.69 H new ATOM 0 HG23 THR A 116 -6.853 -5.913 18.238 1.00 0.69 H new ATOM 1414 N ALA A 117 -5.998 -3.901 13.743 1.00 0.46 N ATOM 1415 CA ALA A 117 -5.951 -3.753 12.281 1.00 0.42 C ATOM 1416 C ALA A 117 -4.529 -3.840 11.689 1.00 0.36 C ATOM 1417 O ALA A 117 -3.562 -3.374 12.291 1.00 0.41 O ATOM 1418 CB ALA A 117 -6.586 -2.419 11.889 1.00 0.45 C ATOM 0 H ALA A 117 -6.488 -3.141 14.215 1.00 0.46 H new ATOM 0 HA ALA A 117 -6.508 -4.593 11.865 1.00 0.42 H new ATOM 0 HB1 ALA A 117 -6.553 -2.305 10.805 1.00 0.45 H new ATOM 0 HB2 ALA A 117 -7.623 -2.397 12.225 1.00 0.45 H new ATOM 0 HB3 ALA A 117 -6.035 -1.603 12.357 1.00 0.45 H new ATOM 1424 N MET A 118 -4.430 -4.386 10.478 1.00 0.31 N ATOM 1425 CA MET A 118 -3.204 -4.586 9.709 1.00 0.27 C ATOM 1426 C MET A 118 -2.707 -3.253 9.127 1.00 0.29 C ATOM 1427 O MET A 118 -3.261 -2.737 8.160 1.00 0.38 O ATOM 1428 CB MET A 118 -3.531 -5.627 8.627 1.00 0.26 C ATOM 1429 CG MET A 118 -2.394 -5.852 7.635 1.00 0.27 C ATOM 1430 SD MET A 118 -2.625 -7.290 6.556 1.00 1.97 S ATOM 1431 CE MET A 118 -1.030 -8.111 6.799 1.00 0.60 C ATOM 0 H MET A 118 -5.254 -4.721 9.978 1.00 0.31 H new ATOM 0 HA MET A 118 -2.388 -4.952 10.332 1.00 0.27 H new ATOM 0 HB2 MET A 118 -3.776 -6.574 9.108 1.00 0.26 H new ATOM 0 HB3 MET A 118 -4.419 -5.307 8.083 1.00 0.26 H new ATOM 0 HG2 MET A 118 -2.285 -4.961 7.016 1.00 0.27 H new ATOM 0 HG3 MET A 118 -1.462 -5.972 8.188 1.00 0.27 H new ATOM 0 HE1 MET A 118 -0.753 -8.644 5.890 1.00 0.60 H new ATOM 0 HE2 MET A 118 -0.268 -7.366 7.029 1.00 0.60 H new ATOM 0 HE3 MET A 118 -1.107 -8.818 7.625 1.00 0.60 H new ATOM 1441 N LYS A 119 -1.678 -2.670 9.741 1.00 0.35 N ATOM 1442 CA LYS A 119 -1.125 -1.331 9.433 1.00 0.35 C ATOM 1443 C LYS A 119 0.341 -1.193 9.872 1.00 0.38 C ATOM 1444 O LYS A 119 0.743 -1.767 10.891 1.00 0.49 O ATOM 1445 CB LYS A 119 -1.992 -0.276 10.130 1.00 0.38 C ATOM 1446 CG LYS A 119 -2.058 -0.399 11.662 1.00 0.45 C ATOM 1447 CD LYS A 119 -3.406 0.132 12.161 1.00 0.55 C ATOM 1448 CE LYS A 119 -3.653 -0.167 13.647 1.00 0.71 C ATOM 1449 NZ LYS A 119 -2.587 0.339 14.538 1.00 0.95 N ATOM 0 H LYS A 119 -1.178 -3.130 10.502 1.00 0.35 H new ATOM 0 HA LYS A 119 -1.142 -1.187 8.353 1.00 0.35 H new ATOM 0 HB2 LYS A 119 -1.610 0.713 9.876 1.00 0.38 H new ATOM 0 HB3 LYS A 119 -3.005 -0.338 9.731 1.00 0.38 H new ATOM 0 HG2 LYS A 119 -1.933 -1.440 11.959 1.00 0.45 H new ATOM 0 HG3 LYS A 119 -1.243 0.163 12.118 1.00 0.45 H new ATOM 0 HD2 LYS A 119 -3.448 1.209 12.000 1.00 0.55 H new ATOM 0 HD3 LYS A 119 -4.207 -0.310 11.569 1.00 0.55 H new ATOM 0 HE2 LYS A 119 -4.604 0.275 13.945 1.00 0.71 H new ATOM 0 HE3 LYS A 119 -3.746 -1.245 13.782 1.00 0.71 H new ATOM 0 HZ1 LYS A 119 -2.850 0.163 15.529 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 -1.695 -0.151 14.324 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 -2.466 1.361 14.388 1.00 0.95 H new ATOM 1463 N LYS A 120 1.133 -0.428 9.117 1.00 0.32 N ATOM 1464 CA LYS A 120 2.553 -0.131 9.393 1.00 0.34 C ATOM 1465 C LYS A 120 3.022 1.068 8.570 1.00 0.36 C ATOM 1466 O LYS A 120 2.440 1.351 7.525 1.00 0.44 O ATOM 1467 CB LYS A 120 3.398 -1.390 9.090 1.00 0.46 C ATOM 1468 CG LYS A 120 4.873 -1.239 9.480 1.00 0.57 C ATOM 1469 CD LYS A 120 5.568 -2.594 9.609 1.00 0.75 C ATOM 1470 CE LYS A 120 7.074 -2.385 9.779 1.00 1.04 C ATOM 1471 NZ LYS A 120 7.719 -3.613 10.285 1.00 1.79 N ATOM 0 H LYS A 120 0.797 0.021 8.265 1.00 0.32 H new ATOM 0 HA LYS A 120 2.676 0.132 10.444 1.00 0.34 H new ATOM 0 HB2 LYS A 120 2.974 -2.241 9.623 1.00 0.46 H new ATOM 0 HB3 LYS A 120 3.332 -1.616 8.026 1.00 0.46 H new ATOM 0 HG2 LYS A 120 5.387 -0.637 8.731 1.00 0.57 H new ATOM 0 HG3 LYS A 120 4.946 -0.702 10.426 1.00 0.57 H new ATOM 0 HD2 LYS A 120 5.168 -3.139 10.464 1.00 0.75 H new ATOM 0 HD3 LYS A 120 5.372 -3.200 8.724 1.00 0.75 H new ATOM 0 HE2 LYS A 120 7.517 -2.103 8.824 1.00 1.04 H new ATOM 0 HE3 LYS A 120 7.256 -1.562 10.470 1.00 1.04 H new ATOM 0 HZ1 LYS A 120 8.740 -3.449 10.393 1.00 1.79 H new ATOM 0 HZ2 LYS A 120 7.309 -3.866 11.207 1.00 1.79 H new ATOM 0 HZ3 LYS A 120 7.562 -4.390 9.612 1.00 1.79 H new ATOM 1485 N LEU A 121 4.075 1.749 9.021 1.00 0.41 N ATOM 1486 CA LEU A 121 4.722 2.830 8.271 1.00 0.46 C ATOM 1487 C LEU A 121 5.894 2.318 7.416 1.00 0.47 C ATOM 1488 O LEU A 121 6.612 1.408 7.841 1.00 0.47 O ATOM 1489 CB LEU A 121 5.149 3.970 9.216 1.00 0.51 C ATOM 1490 CG LEU A 121 3.949 4.647 9.905 1.00 0.52 C ATOM 1491 CD1 LEU A 121 3.599 4.072 11.274 1.00 0.55 C ATOM 1492 CD2 LEU A 121 4.183 6.146 10.078 1.00 0.62 C ATOM 0 H LEU A 121 4.509 1.566 9.926 1.00 0.41 H new ATOM 0 HA LEU A 121 3.989 3.235 7.573 1.00 0.46 H new ATOM 0 HB2 LEU A 121 5.824 3.575 9.975 1.00 0.51 H new ATOM 0 HB3 LEU A 121 5.707 4.716 8.651 1.00 0.51 H new ATOM 0 HG LEU A 121 3.113 4.450 9.234 1.00 0.52 H new ATOM 0 HD11 LEU A 121 2.743 4.607 11.686 1.00 0.55 H new ATOM 0 HD12 LEU A 121 3.351 3.015 11.172 1.00 0.55 H new ATOM 0 HD13 LEU A 121 4.452 4.182 11.944 1.00 0.55 H new ATOM 0 HD21 LEU A 121 3.319 6.595 10.567 1.00 0.62 H new ATOM 0 HD22 LEU A 121 5.071 6.307 10.690 1.00 0.62 H new ATOM 0 HD23 LEU A 121 4.327 6.607 9.101 1.00 0.62 H new ATOM 1504 N THR A 122 6.153 2.913 6.241 1.00 0.49 N ATOM 1505 CA THR A 122 7.396 2.611 5.494 1.00 0.49 C ATOM 1506 C THR A 122 8.616 3.089 6.284 1.00 0.54 C ATOM 1507 O THR A 122 8.577 4.147 6.916 1.00 0.62 O ATOM 1508 CB THR A 122 7.445 3.174 4.056 1.00 0.49 C ATOM 1509 OG1 THR A 122 6.933 4.484 3.979 1.00 0.53 O ATOM 1510 CG2 THR A 122 6.698 2.319 3.027 1.00 0.48 C ATOM 0 H THR A 122 5.538 3.591 5.791 1.00 0.49 H new ATOM 0 HA THR A 122 7.408 1.527 5.383 1.00 0.49 H new ATOM 0 HB THR A 122 8.507 3.165 3.810 1.00 0.49 H new ATOM 0 HG1 THR A 122 6.985 4.801 3.053 1.00 0.53 H new ATOM 0 HG21 THR A 122 6.779 2.781 2.043 1.00 0.48 H new ATOM 0 HG22 THR A 122 7.135 1.321 2.997 1.00 0.48 H new ATOM 0 HG23 THR A 122 5.647 2.246 3.308 1.00 0.48 H new ATOM 1518 N GLU A 123 9.700 2.307 6.277 1.00 0.55 N ATOM 1519 CA GLU A 123 10.954 2.686 6.961 1.00 0.67 C ATOM 1520 C GLU A 123 12.002 3.301 6.021 1.00 0.75 C ATOM 1521 O GLU A 123 12.376 4.461 6.181 1.00 1.02 O ATOM 1522 CB GLU A 123 11.515 1.541 7.827 1.00 0.78 C ATOM 1523 CG GLU A 123 11.593 0.171 7.145 1.00 0.77 C ATOM 1524 CD GLU A 123 12.464 -0.800 7.954 1.00 1.22 C ATOM 1525 OE1 GLU A 123 13.703 -0.827 7.747 1.00 2.16 O ATOM 1526 OE2 GLU A 123 11.906 -1.529 8.813 1.00 2.17 O ATOM 0 H GLU A 123 9.740 1.404 5.805 1.00 0.55 H new ATOM 0 HA GLU A 123 10.689 3.489 7.649 1.00 0.67 H new ATOM 0 HB2 GLU A 123 12.515 1.818 8.160 1.00 0.78 H new ATOM 0 HB3 GLU A 123 10.896 1.448 8.719 1.00 0.78 H new ATOM 0 HG2 GLU A 123 10.590 -0.241 7.034 1.00 0.77 H new ATOM 0 HG3 GLU A 123 12.004 0.284 6.142 1.00 0.77 H new ATOM 1533 N ALA A 124 12.467 2.525 5.044 1.00 0.66 N ATOM 1534 CA ALA A 124 13.487 2.863 4.046 1.00 0.79 C ATOM 1535 C ALA A 124 13.562 1.777 2.955 1.00 0.93 C ATOM 1536 O ALA A 124 13.868 2.070 1.799 1.00 1.39 O ATOM 1537 CB ALA A 124 14.850 2.962 4.746 1.00 0.81 C ATOM 0 H ALA A 124 12.118 1.575 4.918 1.00 0.66 H new ATOM 0 HA ALA A 124 13.224 3.812 3.579 1.00 0.79 H new ATOM 0 HB1 ALA A 124 15.618 3.213 4.014 1.00 0.81 H new ATOM 0 HB2 ALA A 124 14.811 3.737 5.511 1.00 0.81 H new ATOM 0 HB3 ALA A 124 15.091 2.006 5.211 1.00 0.81 H new ATOM 1543 N GLU A 125 13.275 0.522 3.325 1.00 0.99 N ATOM 1544 CA GLU A 125 13.128 -0.645 2.450 1.00 1.54 C ATOM 1545 C GLU A 125 11.647 -1.012 2.205 1.00 1.49 C ATOM 1546 O GLU A 125 11.308 -2.171 1.952 1.00 2.58 O ATOM 1547 CB GLU A 125 13.896 -1.820 3.073 1.00 2.02 C ATOM 1548 CG GLU A 125 15.414 -1.614 3.105 1.00 2.30 C ATOM 1549 CD GLU A 125 16.119 -2.934 3.425 1.00 3.65 C ATOM 1550 OE1 GLU A 125 15.802 -3.556 4.470 1.00 4.75 O ATOM 1551 OE2 GLU A 125 17.003 -3.356 2.639 1.00 4.23 O ATOM 0 H GLU A 125 13.130 0.281 4.306 1.00 0.99 H new ATOM 0 HA GLU A 125 13.543 -0.405 1.471 1.00 1.54 H new ATOM 0 HB2 GLU A 125 13.538 -1.978 4.090 1.00 2.02 H new ATOM 0 HB3 GLU A 125 13.673 -2.727 2.512 1.00 2.02 H new ATOM 0 HG2 GLU A 125 15.757 -1.234 2.143 1.00 2.30 H new ATOM 0 HG3 GLU A 125 15.671 -0.865 3.854 1.00 2.30 H new ATOM 1558 N GLY A 126 10.739 -0.045 2.349 1.00 0.54 N ATOM 1559 CA GLY A 126 9.292 -0.250 2.357 1.00 0.51 C ATOM 1560 C GLY A 126 8.758 -0.657 3.733 1.00 0.50 C ATOM 1561 O GLY A 126 9.322 -0.289 4.764 1.00 0.62 O ATOM 0 H GLY A 126 11.001 0.934 2.467 1.00 0.54 H new ATOM 0 HA2 GLY A 126 8.798 0.668 2.037 1.00 0.51 H new ATOM 0 HA3 GLY A 126 9.035 -1.020 1.630 1.00 0.51 H new ATOM 1565 N ALA A 127 7.654 -1.403 3.738 1.00 0.44 N ATOM 1566 CA ALA A 127 7.067 -2.092 4.895 1.00 0.42 C ATOM 1567 C ALA A 127 6.531 -3.487 4.508 1.00 0.43 C ATOM 1568 O ALA A 127 5.772 -3.595 3.544 1.00 0.44 O ATOM 1569 CB ALA A 127 5.954 -1.205 5.472 1.00 0.40 C ATOM 0 H ALA A 127 7.111 -1.554 2.888 1.00 0.44 H new ATOM 0 HA ALA A 127 7.835 -2.255 5.651 1.00 0.42 H new ATOM 0 HB1 ALA A 127 5.505 -1.699 6.333 1.00 0.40 H new ATOM 0 HB2 ALA A 127 6.375 -0.248 5.781 1.00 0.40 H new ATOM 0 HB3 ALA A 127 5.192 -1.037 4.711 1.00 0.40 H new ATOM 1575 N LYS A 128 6.895 -4.543 5.253 1.00 0.46 N ATOM 1576 CA LYS A 128 6.420 -5.932 5.071 1.00 0.49 C ATOM 1577 C LYS A 128 5.071 -6.197 5.757 1.00 0.49 C ATOM 1578 O LYS A 128 4.883 -5.867 6.931 1.00 0.52 O ATOM 1579 CB LYS A 128 7.501 -6.919 5.563 1.00 0.55 C ATOM 1580 CG LYS A 128 7.071 -8.399 5.496 1.00 1.00 C ATOM 1581 CD LYS A 128 8.133 -9.367 6.046 1.00 0.94 C ATOM 1582 CE LYS A 128 7.496 -10.755 6.202 1.00 1.02 C ATOM 1583 NZ LYS A 128 8.433 -11.762 6.750 1.00 1.39 N ATOM 0 H LYS A 128 7.552 -4.454 6.028 1.00 0.46 H new ATOM 0 HA LYS A 128 6.248 -6.085 4.006 1.00 0.49 H new ATOM 0 HB2 LYS A 128 8.402 -6.785 4.964 1.00 0.55 H new ATOM 0 HB3 LYS A 128 7.763 -6.673 6.592 1.00 0.55 H new ATOM 0 HG2 LYS A 128 6.146 -8.527 6.059 1.00 1.00 H new ATOM 0 HG3 LYS A 128 6.853 -8.660 4.460 1.00 1.00 H new ATOM 0 HD2 LYS A 128 8.987 -9.416 5.370 1.00 0.94 H new ATOM 0 HD3 LYS A 128 8.507 -9.012 7.006 1.00 0.94 H new ATOM 0 HE2 LYS A 128 6.628 -10.679 6.857 1.00 1.02 H new ATOM 0 HE3 LYS A 128 7.134 -11.094 5.231 1.00 1.02 H new ATOM 0 HZ1 LYS A 128 7.948 -12.678 6.833 1.00 1.39 H new ATOM 0 HZ2 LYS A 128 9.250 -11.859 6.114 1.00 1.39 H new ATOM 0 HZ3 LYS A 128 8.760 -11.457 7.689 1.00 1.39 H new ATOM 1597 N PHE A 129 4.182 -6.884 5.040 1.00 0.52 N ATOM 1598 CA PHE A 129 2.885 -7.390 5.487 1.00 0.53 C ATOM 1599 C PHE A 129 2.806 -8.892 5.163 1.00 0.62 C ATOM 1600 O PHE A 129 3.126 -9.305 4.046 1.00 0.59 O ATOM 1601 CB PHE A 129 1.768 -6.589 4.793 1.00 0.49 C ATOM 1602 CG PHE A 129 1.675 -5.135 5.223 1.00 0.41 C ATOM 1603 CD1 PHE A 129 2.665 -4.217 4.831 1.00 1.63 C ATOM 1604 CD2 PHE A 129 0.620 -4.692 6.041 1.00 1.66 C ATOM 1605 CE1 PHE A 129 2.630 -2.902 5.307 1.00 1.69 C ATOM 1606 CE2 PHE A 129 0.567 -3.364 6.494 1.00 1.59 C ATOM 1607 CZ PHE A 129 1.582 -2.465 6.133 1.00 0.34 C ATOM 0 H PHE A 129 4.362 -7.118 4.064 1.00 0.52 H new ATOM 0 HA PHE A 129 2.762 -7.268 6.563 1.00 0.53 H new ATOM 0 HB2 PHE A 129 1.927 -6.627 3.715 1.00 0.49 H new ATOM 0 HB3 PHE A 129 0.813 -7.075 4.991 1.00 0.49 H new ATOM 0 HD1 PHE A 129 3.454 -4.527 4.162 1.00 1.63 H new ATOM 0 HD2 PHE A 129 -0.160 -5.383 6.325 1.00 1.66 H new ATOM 0 HE1 PHE A 129 3.418 -2.215 5.036 1.00 1.69 H new ATOM 0 HE2 PHE A 129 -0.251 -3.036 7.118 1.00 1.59 H new ATOM 0 HZ PHE A 129 1.557 -1.445 6.488 1.00 0.34 H new ATOM 1617 N ASN A 130 2.421 -9.726 6.128 1.00 0.78 N ATOM 1618 CA ASN A 130 2.440 -11.185 5.988 1.00 0.78 C ATOM 1619 C ASN A 130 1.082 -11.726 5.501 1.00 0.78 C ATOM 1620 O ASN A 130 0.122 -11.826 6.263 1.00 0.97 O ATOM 1621 CB ASN A 130 2.886 -11.783 7.328 1.00 0.84 C ATOM 1622 CG ASN A 130 3.314 -13.224 7.174 1.00 1.19 C ATOM 1623 OD1 ASN A 130 4.365 -13.509 6.623 1.00 2.05 O ATOM 1624 ND2 ASN A 130 2.534 -14.169 7.631 1.00 1.31 N ATOM 0 H ASN A 130 2.084 -9.408 7.037 1.00 0.78 H new ATOM 0 HA ASN A 130 3.151 -11.485 5.218 1.00 0.78 H new ATOM 0 HB2 ASN A 130 3.712 -11.198 7.732 1.00 0.84 H new ATOM 0 HB3 ASN A 130 2.069 -11.719 8.046 1.00 0.84 H new ATOM 0 HD21 ASN A 130 2.803 -15.147 7.527 1.00 1.31 H new ATOM 0 HD22 ASN A 130 1.656 -13.928 8.091 1.00 1.31 H new ATOM 1631 N THR A 131 0.999 -12.099 4.225 1.00 0.87 N ATOM 1632 CA THR A 131 -0.230 -12.578 3.570 1.00 0.87 C ATOM 1633 C THR A 131 -0.465 -14.084 3.738 1.00 0.90 C ATOM 1634 O THR A 131 -1.518 -14.583 3.342 1.00 0.92 O ATOM 1635 CB THR A 131 -0.276 -12.142 2.093 1.00 0.90 C ATOM 1636 OG1 THR A 131 0.937 -12.433 1.433 1.00 1.01 O ATOM 1637 CG2 THR A 131 -0.491 -10.632 1.982 1.00 0.91 C ATOM 0 H THR A 131 1.802 -12.078 3.597 1.00 0.87 H new ATOM 0 HA THR A 131 -1.062 -12.100 4.087 1.00 0.87 H new ATOM 0 HB THR A 131 -1.099 -12.689 1.633 1.00 0.90 H new ATOM 0 HG1 THR A 131 0.877 -12.147 0.498 1.00 1.01 H new ATOM 0 HG21 THR A 131 -0.520 -10.345 0.931 1.00 0.91 H new ATOM 0 HG22 THR A 131 -1.434 -10.363 2.458 1.00 0.91 H new ATOM 0 HG23 THR A 131 0.328 -10.110 2.478 1.00 0.91 H new ATOM 1645 N ALA A 132 0.436 -14.805 4.421 1.00 0.91 N ATOM 1646 CA ALA A 132 0.225 -16.202 4.840 1.00 0.83 C ATOM 1647 C ALA A 132 -1.030 -16.391 5.718 1.00 0.75 C ATOM 1648 O ALA A 132 -1.602 -17.482 5.772 1.00 0.79 O ATOM 1649 CB ALA A 132 1.446 -16.660 5.644 1.00 0.91 C ATOM 0 H ALA A 132 1.343 -14.432 4.702 1.00 0.91 H new ATOM 0 HA ALA A 132 0.083 -16.791 3.934 1.00 0.83 H new ATOM 0 HB1 ALA A 132 1.306 -17.693 5.962 1.00 0.91 H new ATOM 0 HB2 ALA A 132 2.338 -16.590 5.022 1.00 0.91 H new ATOM 0 HB3 ALA A 132 1.564 -16.023 6.521 1.00 0.91 H new ATOM 1655 N ASN A 133 -1.448 -15.326 6.413 1.00 0.79 N ATOM 1656 CA ASN A 133 -2.543 -15.325 7.380 1.00 0.85 C ATOM 1657 C ASN A 133 -3.922 -15.063 6.744 1.00 0.68 C ATOM 1658 O ASN A 133 -4.946 -15.344 7.372 1.00 0.79 O ATOM 1659 CB ASN A 133 -2.185 -14.299 8.470 1.00 1.24 C ATOM 1660 CG ASN A 133 -0.936 -14.672 9.238 1.00 1.16 C ATOM 1661 OD1 ASN A 133 0.104 -14.028 9.165 1.00 2.14 O ATOM 1662 ND2 ASN A 133 -0.986 -15.752 9.971 1.00 1.47 N ATOM 0 H ASN A 133 -1.014 -14.409 6.310 1.00 0.79 H new ATOM 0 HA ASN A 133 -2.647 -16.319 7.816 1.00 0.85 H new ATOM 0 HB2 ASN A 133 -2.045 -13.321 8.010 1.00 1.24 H new ATOM 0 HB3 ASN A 133 -3.020 -14.208 9.165 1.00 1.24 H new ATOM 0 HD21 ASN A 133 -0.159 -16.060 10.483 1.00 1.47 H new ATOM 0 HD22 ASN A 133 -1.852 -16.288 10.031 1.00 1.47 H new ATOM 1669 N LEU A 134 -3.965 -14.573 5.498 1.00 0.59 N ATOM 1670 CA LEU A 134 -5.197 -14.326 4.758 1.00 0.56 C ATOM 1671 C LEU A 134 -5.671 -15.527 3.917 1.00 0.60 C ATOM 1672 O LEU A 134 -4.837 -16.294 3.415 1.00 0.63 O ATOM 1673 CB LEU A 134 -5.011 -13.110 3.827 1.00 0.55 C ATOM 1674 CG LEU A 134 -5.032 -11.706 4.450 1.00 0.53 C ATOM 1675 CD1 LEU A 134 -6.045 -11.559 5.578 1.00 0.56 C ATOM 1676 CD2 LEU A 134 -3.663 -11.257 4.937 1.00 0.52 C ATOM 0 H LEU A 134 -3.125 -14.334 4.971 1.00 0.59 H new ATOM 0 HA LEU A 134 -5.966 -14.138 5.508 1.00 0.56 H new ATOM 0 HB2 LEU A 134 -4.059 -13.230 3.310 1.00 0.55 H new ATOM 0 HB3 LEU A 134 -5.793 -13.149 3.069 1.00 0.55 H new ATOM 0 HG LEU A 134 -5.342 -11.055 3.633 1.00 0.53 H new ATOM 0 HD11 LEU A 134 -6.006 -10.543 5.972 1.00 0.56 H new ATOM 0 HD12 LEU A 134 -7.046 -11.762 5.197 1.00 0.56 H new ATOM 0 HD13 LEU A 134 -5.809 -12.266 6.373 1.00 0.56 H new ATOM 0 HD21 LEU A 134 -3.739 -10.258 5.367 1.00 0.52 H new ATOM 0 HD22 LEU A 134 -3.300 -11.952 5.695 1.00 0.52 H new ATOM 0 HD23 LEU A 134 -2.967 -11.239 4.099 1.00 0.52 H new ATOM 1688 N PRO A 135 -6.996 -15.662 3.713 1.00 0.64 N ATOM 1689 CA PRO A 135 -7.584 -16.565 2.730 1.00 0.70 C ATOM 1690 C PRO A 135 -7.657 -15.900 1.344 1.00 0.70 C ATOM 1691 O PRO A 135 -7.438 -14.691 1.188 1.00 0.65 O ATOM 1692 CB PRO A 135 -8.979 -16.888 3.267 1.00 0.77 C ATOM 1693 CG PRO A 135 -9.381 -15.577 3.947 1.00 0.74 C ATOM 1694 CD PRO A 135 -8.059 -15.021 4.482 1.00 0.65 C ATOM 0 HA PRO A 135 -6.987 -17.467 2.596 1.00 0.70 H new ATOM 0 HB2 PRO A 135 -9.669 -17.159 2.468 1.00 0.77 H new ATOM 0 HB3 PRO A 135 -8.961 -17.721 3.970 1.00 0.77 H new ATOM 0 HG2 PRO A 135 -9.849 -14.889 3.243 1.00 0.74 H new ATOM 0 HG3 PRO A 135 -10.098 -15.747 4.751 1.00 0.74 H new ATOM 0 HD2 PRO A 135 -8.020 -13.938 4.369 1.00 0.65 H new ATOM 0 HD3 PRO A 135 -7.951 -15.234 5.545 1.00 0.65 H new ATOM 1702 N ALA A 136 -8.028 -16.693 0.341 1.00 0.81 N ATOM 1703 CA ALA A 136 -8.069 -16.355 -1.072 1.00 0.90 C ATOM 1704 C ALA A 136 -9.265 -15.444 -1.387 1.00 0.92 C ATOM 1705 O ALA A 136 -10.350 -15.894 -1.779 1.00 1.10 O ATOM 1706 CB ALA A 136 -8.094 -17.679 -1.841 1.00 1.01 C ATOM 0 H ALA A 136 -8.328 -17.653 0.510 1.00 0.81 H new ATOM 0 HA ALA A 136 -7.194 -15.780 -1.374 1.00 0.90 H new ATOM 0 HB1 ALA A 136 -8.125 -17.477 -2.912 1.00 1.01 H new ATOM 0 HB2 ALA A 136 -7.198 -18.253 -1.606 1.00 1.01 H new ATOM 0 HB3 ALA A 136 -8.977 -18.250 -1.554 1.00 1.01 H new ATOM 1712 N ALA A 137 -9.058 -14.144 -1.198 1.00 0.80 N ATOM 1713 CA ALA A 137 -10.018 -13.092 -1.491 1.00 0.78 C ATOM 1714 C ALA A 137 -9.320 -11.844 -2.078 1.00 0.70 C ATOM 1715 O ALA A 137 -8.086 -11.795 -2.161 1.00 0.68 O ATOM 1716 CB ALA A 137 -10.782 -12.769 -0.198 1.00 0.75 C ATOM 0 H ALA A 137 -8.181 -13.784 -0.822 1.00 0.80 H new ATOM 0 HA ALA A 137 -10.722 -13.429 -2.251 1.00 0.78 H new ATOM 0 HB1 ALA A 137 -11.510 -11.981 -0.392 1.00 0.75 H new ATOM 0 HB2 ALA A 137 -11.299 -13.662 0.152 1.00 0.75 H new ATOM 0 HB3 ALA A 137 -10.080 -12.434 0.566 1.00 0.75 H new ATOM 1722 N LYS A 138 -10.096 -10.826 -2.469 1.00 0.67 N ATOM 1723 CA LYS A 138 -9.602 -9.490 -2.831 1.00 0.59 C ATOM 1724 C LYS A 138 -9.574 -8.541 -1.624 1.00 0.53 C ATOM 1725 O LYS A 138 -10.432 -8.562 -0.745 1.00 0.60 O ATOM 1726 CB LYS A 138 -10.433 -8.935 -3.995 1.00 0.63 C ATOM 1727 CG LYS A 138 -10.076 -9.655 -5.305 1.00 0.70 C ATOM 1728 CD LYS A 138 -10.951 -9.213 -6.479 1.00 0.84 C ATOM 1729 CE LYS A 138 -12.437 -9.556 -6.310 1.00 2.42 C ATOM 1730 NZ LYS A 138 -13.198 -9.272 -7.551 1.00 2.71 N ATOM 0 H LYS A 138 -11.110 -10.909 -2.545 1.00 0.67 H new ATOM 0 HA LYS A 138 -8.567 -9.575 -3.161 1.00 0.59 H new ATOM 0 HB2 LYS A 138 -11.495 -9.060 -3.783 1.00 0.63 H new ATOM 0 HB3 LYS A 138 -10.252 -7.865 -4.101 1.00 0.63 H new ATOM 0 HG2 LYS A 138 -9.030 -9.466 -5.545 1.00 0.70 H new ATOM 0 HG3 LYS A 138 -10.181 -10.731 -5.164 1.00 0.70 H new ATOM 0 HD2 LYS A 138 -10.849 -8.136 -6.610 1.00 0.84 H new ATOM 0 HD3 LYS A 138 -10.582 -9.681 -7.391 1.00 0.84 H new ATOM 0 HE2 LYS A 138 -12.542 -10.609 -6.049 1.00 2.42 H new ATOM 0 HE3 LYS A 138 -12.854 -8.979 -5.484 1.00 2.42 H new ATOM 0 HZ1 LYS A 138 -14.199 -9.513 -7.407 1.00 2.71 H new ATOM 0 HZ2 LYS A 138 -13.116 -8.262 -7.785 1.00 2.71 H new ATOM 0 HZ3 LYS A 138 -12.813 -9.841 -8.332 1.00 2.71 H new ATOM 1744 N TYR A 139 -8.581 -7.662 -1.615 1.00 0.45 N ATOM 1745 CA TYR A 139 -8.224 -6.751 -0.525 1.00 0.38 C ATOM 1746 C TYR A 139 -7.925 -5.356 -1.085 1.00 0.39 C ATOM 1747 O TYR A 139 -8.003 -5.133 -2.298 1.00 0.59 O ATOM 1748 CB TYR A 139 -7.024 -7.325 0.249 1.00 0.38 C ATOM 1749 CG TYR A 139 -7.292 -8.671 0.894 1.00 0.42 C ATOM 1750 CD1 TYR A 139 -7.842 -8.741 2.188 1.00 0.44 C ATOM 1751 CD2 TYR A 139 -7.022 -9.852 0.178 1.00 0.48 C ATOM 1752 CE1 TYR A 139 -8.152 -9.998 2.749 1.00 0.50 C ATOM 1753 CE2 TYR A 139 -7.326 -11.104 0.743 1.00 0.53 C ATOM 1754 CZ TYR A 139 -7.905 -11.173 2.020 1.00 0.53 C ATOM 1755 OH TYR A 139 -8.234 -12.373 2.551 1.00 0.58 O ATOM 0 H TYR A 139 -7.961 -7.556 -2.418 1.00 0.45 H new ATOM 0 HA TYR A 139 -9.060 -6.654 0.168 1.00 0.38 H new ATOM 0 HB2 TYR A 139 -6.178 -7.422 -0.432 1.00 0.38 H new ATOM 0 HB3 TYR A 139 -6.731 -6.615 1.022 1.00 0.38 H new ATOM 0 HD1 TYR A 139 -8.026 -7.837 2.749 1.00 0.44 H new ATOM 0 HD2 TYR A 139 -6.581 -9.797 -0.806 1.00 0.48 H new ATOM 0 HE1 TYR A 139 -8.579 -10.057 3.739 1.00 0.50 H new ATOM 0 HE2 TYR A 139 -7.114 -12.010 0.195 1.00 0.53 H new ATOM 0 HH TYR A 139 -7.882 -13.090 1.983 1.00 0.58 H new ATOM 1765 N LYS A 140 -7.660 -4.393 -0.202 1.00 0.29 N ATOM 1766 CA LYS A 140 -7.295 -3.003 -0.557 1.00 0.31 C ATOM 1767 C LYS A 140 -6.338 -2.349 0.447 1.00 0.29 C ATOM 1768 O LYS A 140 -6.351 -2.721 1.617 1.00 0.33 O ATOM 1769 CB LYS A 140 -8.575 -2.155 -0.690 1.00 0.40 C ATOM 1770 CG LYS A 140 -9.096 -2.022 -2.126 1.00 0.52 C ATOM 1771 CD LYS A 140 -10.613 -1.802 -2.176 1.00 0.65 C ATOM 1772 CE LYS A 140 -11.322 -2.963 -2.892 1.00 1.17 C ATOM 1773 NZ LYS A 140 -10.881 -4.300 -2.425 1.00 3.59 N ATOM 0 H LYS A 140 -7.691 -4.551 0.805 1.00 0.29 H new ATOM 0 HA LYS A 140 -6.762 -3.047 -1.507 1.00 0.31 H new ATOM 0 HB2 LYS A 140 -9.356 -2.598 -0.072 1.00 0.40 H new ATOM 0 HB3 LYS A 140 -8.380 -1.159 -0.293 1.00 0.40 H new ATOM 0 HG2 LYS A 140 -8.594 -1.188 -2.617 1.00 0.52 H new ATOM 0 HG3 LYS A 140 -8.843 -2.922 -2.687 1.00 0.52 H new ATOM 0 HD2 LYS A 140 -11.002 -1.705 -1.162 1.00 0.65 H new ATOM 0 HD3 LYS A 140 -10.830 -0.867 -2.692 1.00 0.65 H new ATOM 0 HE2 LYS A 140 -12.398 -2.870 -2.742 1.00 1.17 H new ATOM 0 HE3 LYS A 140 -11.142 -2.883 -3.964 1.00 1.17 H new ATOM 0 HZ1 LYS A 140 -11.509 -5.030 -2.818 1.00 3.59 H new ATOM 0 HZ2 LYS A 140 -9.906 -4.474 -2.742 1.00 3.59 H new ATOM 0 HZ3 LYS A 140 -10.918 -4.335 -1.386 1.00 3.59 H new ATOM 1787 N ILE A 141 -5.581 -1.330 0.030 1.00 0.34 N ATOM 1788 CA ILE A 141 -4.732 -0.496 0.911 1.00 0.35 C ATOM 1789 C ILE A 141 -5.168 0.983 0.875 1.00 0.37 C ATOM 1790 O ILE A 141 -5.538 1.492 -0.184 1.00 0.45 O ATOM 1791 CB ILE A 141 -3.223 -0.671 0.598 1.00 0.36 C ATOM 1792 CG1 ILE A 141 -2.746 -2.139 0.710 1.00 0.37 C ATOM 1793 CG2 ILE A 141 -2.344 0.163 1.546 1.00 0.36 C ATOM 1794 CD1 ILE A 141 -2.790 -2.875 -0.628 1.00 0.41 C ATOM 0 H ILE A 141 -5.535 -1.049 -0.949 1.00 0.34 H new ATOM 0 HA ILE A 141 -4.877 -0.848 1.932 1.00 0.35 H new ATOM 0 HB ILE A 141 -3.115 -0.331 -0.432 1.00 0.36 H new ATOM 0 HG12 ILE A 141 -1.727 -2.158 1.097 1.00 0.37 H new ATOM 0 HG13 ILE A 141 -3.371 -2.666 1.431 1.00 0.37 H new ATOM 0 HG21 ILE A 141 -1.294 0.013 1.295 1.00 0.36 H new ATOM 0 HG22 ILE A 141 -2.595 1.218 1.441 1.00 0.36 H new ATOM 0 HG23 ILE A 141 -2.519 -0.151 2.575 1.00 0.36 H new ATOM 0 HD11 ILE A 141 -2.445 -3.900 -0.491 1.00 0.41 H new ATOM 0 HD12 ILE A 141 -3.813 -2.884 -1.005 1.00 0.41 H new ATOM 0 HD13 ILE A 141 -2.144 -2.367 -1.344 1.00 0.41 H new ATOM 1806 N TYR A 142 -5.108 1.658 2.032 1.00 0.33 N ATOM 1807 CA TYR A 142 -5.499 3.064 2.255 1.00 0.35 C ATOM 1808 C TYR A 142 -4.405 3.854 3.015 1.00 0.39 C ATOM 1809 O TYR A 142 -3.792 3.294 3.921 1.00 0.36 O ATOM 1810 CB TYR A 142 -6.836 3.084 3.019 1.00 0.35 C ATOM 1811 CG TYR A 142 -8.063 2.781 2.174 1.00 0.34 C ATOM 1812 CD1 TYR A 142 -8.387 1.474 1.747 1.00 1.75 C ATOM 1813 CD2 TYR A 142 -8.916 3.844 1.838 1.00 1.81 C ATOM 1814 CE1 TYR A 142 -9.539 1.245 0.967 1.00 1.79 C ATOM 1815 CE2 TYR A 142 -10.080 3.609 1.092 1.00 1.78 C ATOM 1816 CZ TYR A 142 -10.380 2.318 0.628 1.00 0.41 C ATOM 1817 OH TYR A 142 -11.481 2.114 -0.139 1.00 0.49 O ATOM 0 H TYR A 142 -4.767 1.217 2.886 1.00 0.33 H new ATOM 0 HA TYR A 142 -5.618 3.559 1.291 1.00 0.35 H new ATOM 0 HB2 TYR A 142 -6.784 2.359 3.831 1.00 0.35 H new ATOM 0 HB3 TYR A 142 -6.961 4.066 3.476 1.00 0.35 H new ATOM 0 HD1 TYR A 142 -7.749 0.646 2.019 1.00 1.75 H new ATOM 0 HD2 TYR A 142 -8.675 4.848 2.156 1.00 1.81 H new ATOM 0 HE1 TYR A 142 -9.775 0.246 0.631 1.00 1.79 H new ATOM 0 HE2 TYR A 142 -10.751 4.427 0.873 1.00 1.78 H new ATOM 0 HH TYR A 142 -11.948 2.965 -0.274 1.00 0.49 H new ATOM 1827 N GLU A 143 -4.166 5.136 2.679 1.00 0.54 N ATOM 1828 CA GLU A 143 -3.092 5.989 3.256 1.00 0.60 C ATOM 1829 C GLU A 143 -3.626 7.013 4.284 1.00 0.64 C ATOM 1830 O GLU A 143 -4.530 7.802 3.995 1.00 0.90 O ATOM 1831 CB GLU A 143 -2.297 6.695 2.133 1.00 0.68 C ATOM 1832 CG GLU A 143 -1.047 7.424 2.664 1.00 0.86 C ATOM 1833 CD GLU A 143 -0.270 8.184 1.574 1.00 0.96 C ATOM 1834 OE1 GLU A 143 0.196 7.556 0.598 1.00 1.42 O ATOM 1835 OE2 GLU A 143 -0.083 9.422 1.693 1.00 2.11 O ATOM 0 H GLU A 143 -4.725 5.626 1.981 1.00 0.54 H new ATOM 0 HA GLU A 143 -2.420 5.326 3.801 1.00 0.60 H new ATOM 0 HB2 GLU A 143 -1.995 5.959 1.388 1.00 0.68 H new ATOM 0 HB3 GLU A 143 -2.945 7.412 1.629 1.00 0.68 H new ATOM 0 HG2 GLU A 143 -1.349 8.127 3.441 1.00 0.86 H new ATOM 0 HG3 GLU A 143 -0.383 6.697 3.132 1.00 0.86 H new ATOM 1842 N ILE A 144 -3.046 7.028 5.488 1.00 0.69 N ATOM 1843 CA ILE A 144 -3.542 7.764 6.668 1.00 0.66 C ATOM 1844 C ILE A 144 -2.418 8.635 7.265 1.00 0.73 C ATOM 1845 O ILE A 144 -1.268 8.204 7.293 1.00 1.13 O ATOM 1846 CB ILE A 144 -4.101 6.751 7.702 1.00 0.63 C ATOM 1847 CG1 ILE A 144 -5.062 5.677 7.121 1.00 0.61 C ATOM 1848 CG2 ILE A 144 -4.781 7.472 8.878 1.00 0.64 C ATOM 1849 CD1 ILE A 144 -6.368 6.172 6.481 1.00 0.60 C ATOM 0 H ILE A 144 -2.188 6.512 5.681 1.00 0.69 H new ATOM 0 HA ILE A 144 -4.349 8.436 6.377 1.00 0.66 H new ATOM 0 HB ILE A 144 -3.221 6.210 8.048 1.00 0.63 H new ATOM 0 HG12 ILE A 144 -4.515 5.105 6.372 1.00 0.61 H new ATOM 0 HG13 ILE A 144 -5.320 4.986 7.924 1.00 0.61 H new ATOM 0 HG21 ILE A 144 -5.162 6.735 9.585 1.00 0.64 H new ATOM 0 HG22 ILE A 144 -4.057 8.115 9.379 1.00 0.64 H new ATOM 0 HG23 ILE A 144 -5.607 8.078 8.505 1.00 0.64 H new ATOM 0 HD11 ILE A 144 -6.941 5.319 6.118 1.00 0.60 H new ATOM 0 HD12 ILE A 144 -6.954 6.714 7.223 1.00 0.60 H new ATOM 0 HD13 ILE A 144 -6.136 6.835 5.647 1.00 0.60 H new ATOM 1861 N HIS A 145 -2.712 9.837 7.780 1.00 1.23 N ATOM 1862 CA HIS A 145 -1.698 10.764 8.338 1.00 1.38 C ATOM 1863 C HIS A 145 -1.820 11.033 9.859 1.00 1.40 C ATOM 1864 O HIS A 145 -0.975 11.716 10.444 1.00 1.63 O ATOM 1865 CB HIS A 145 -1.674 12.058 7.505 1.00 1.73 C ATOM 1866 CG HIS A 145 -0.397 12.851 7.671 1.00 2.61 C ATOM 1867 ND1 HIS A 145 -0.226 13.976 8.446 1.00 3.82 N ATOM 1868 CD2 HIS A 145 0.822 12.555 7.121 1.00 3.29 C ATOM 1869 CE1 HIS A 145 1.064 14.347 8.371 1.00 4.91 C ATOM 1870 NE2 HIS A 145 1.748 13.512 7.567 1.00 4.69 N ATOM 0 H HIS A 145 -3.663 10.202 7.825 1.00 1.23 H new ATOM 0 HA HIS A 145 -0.734 10.262 8.255 1.00 1.38 H new ATOM 0 HB2 HIS A 145 -1.804 11.807 6.452 1.00 1.73 H new ATOM 0 HB3 HIS A 145 -2.521 12.682 7.791 1.00 1.73 H new ATOM 0 HD2 HIS A 145 1.034 11.729 6.459 1.00 3.29 H new ATOM 0 HE1 HIS A 145 1.491 15.196 8.884 1.00 4.91 H new ATOM 0 HE2 HIS A 145 2.739 13.564 7.330 1.00 4.69 H new ATOM 1878 N SER A 146 -2.815 10.459 10.550 1.00 1.33 N ATOM 1879 CA SER A 146 -2.895 10.507 12.026 1.00 1.48 C ATOM 1880 C SER A 146 -1.732 9.776 12.721 1.00 1.32 C ATOM 1881 O SER A 146 -1.446 10.034 13.892 1.00 1.72 O ATOM 1882 CB SER A 146 -4.265 10.037 12.527 1.00 1.68 C ATOM 1883 OG SER A 146 -4.736 8.883 11.863 1.00 2.31 O ATOM 0 H SER A 146 -3.583 9.951 10.111 1.00 1.33 H new ATOM 0 HA SER A 146 -2.786 11.554 12.309 1.00 1.48 H new ATOM 0 HB2 SER A 146 -4.203 9.833 13.596 1.00 1.68 H new ATOM 0 HB3 SER A 146 -4.988 10.843 12.398 1.00 1.68 H new ATOM 0 HG SER A 146 -5.611 8.631 12.226 1.00 2.31 H new ATOM 2086 N LYS A 162 -2.463 14.343 -3.153 1.00 1.37 N ATOM 2087 CA LYS A 162 -3.079 13.213 -2.425 1.00 1.20 C ATOM 2088 C LYS A 162 -2.982 11.849 -3.126 1.00 1.04 C ATOM 2089 O LYS A 162 -2.993 11.770 -4.360 1.00 1.18 O ATOM 2090 CB LYS A 162 -4.525 13.591 -2.033 1.00 1.31 C ATOM 2091 CG LYS A 162 -5.519 13.642 -3.212 1.00 1.72 C ATOM 2092 CD LYS A 162 -6.584 12.535 -3.137 1.00 1.47 C ATOM 2093 CE LYS A 162 -7.177 12.239 -4.519 1.00 1.75 C ATOM 2094 NZ LYS A 162 -8.457 11.503 -4.434 1.00 1.96 N ATOM 0 HA LYS A 162 -2.487 13.056 -1.523 1.00 1.20 H new ATOM 0 HB2 LYS A 162 -4.888 12.871 -1.300 1.00 1.31 H new ATOM 0 HB3 LYS A 162 -4.512 14.565 -1.544 1.00 1.31 H new ATOM 0 HG2 LYS A 162 -6.011 14.614 -3.225 1.00 1.72 H new ATOM 0 HG3 LYS A 162 -4.970 13.550 -4.149 1.00 1.72 H new ATOM 0 HD2 LYS A 162 -6.140 11.628 -2.727 1.00 1.47 H new ATOM 0 HD3 LYS A 162 -7.379 12.837 -2.455 1.00 1.47 H new ATOM 0 HE2 LYS A 162 -7.334 13.176 -5.053 1.00 1.75 H new ATOM 0 HE3 LYS A 162 -6.463 11.656 -5.101 1.00 1.75 H new ATOM 0 HZ1 LYS A 162 -8.820 11.326 -5.392 1.00 1.96 H new ATOM 0 HZ2 LYS A 162 -8.304 10.596 -3.948 1.00 1.96 H new ATOM 0 HZ3 LYS A 162 -9.148 12.069 -3.902 1.00 1.96 H new ATOM 2108 N ALA A 163 -2.926 10.776 -2.335 1.00 0.91 N ATOM 2109 CA ALA A 163 -2.858 9.389 -2.801 1.00 0.77 C ATOM 2110 C ALA A 163 -4.245 8.782 -3.043 1.00 0.67 C ATOM 2111 O ALA A 163 -5.258 9.225 -2.494 1.00 0.80 O ATOM 2112 CB ALA A 163 -2.025 8.532 -1.833 1.00 0.86 C ATOM 0 H ALA A 163 -2.927 10.851 -1.318 1.00 0.91 H new ATOM 0 HA ALA A 163 -2.356 9.397 -3.769 1.00 0.77 H new ATOM 0 HB1 ALA A 163 -1.987 7.505 -2.197 1.00 0.86 H new ATOM 0 HB2 ALA A 163 -1.013 8.933 -1.771 1.00 0.86 H new ATOM 0 HB3 ALA A 163 -2.484 8.550 -0.844 1.00 0.86 H new ATOM 2118 N VAL A 164 -4.276 7.734 -3.862 1.00 0.53 N ATOM 2119 CA VAL A 164 -5.489 6.979 -4.201 1.00 0.47 C ATOM 2120 C VAL A 164 -5.332 5.494 -3.856 1.00 0.43 C ATOM 2121 O VAL A 164 -4.216 4.973 -3.925 1.00 0.48 O ATOM 2122 CB VAL A 164 -5.927 7.213 -5.656 1.00 0.49 C ATOM 2123 CG1 VAL A 164 -6.601 8.582 -5.751 1.00 0.54 C ATOM 2124 CG2 VAL A 164 -4.776 7.160 -6.663 1.00 0.58 C ATOM 0 H VAL A 164 -3.440 7.374 -4.322 1.00 0.53 H new ATOM 0 HA VAL A 164 -6.301 7.361 -3.582 1.00 0.47 H new ATOM 0 HB VAL A 164 -6.609 6.403 -5.915 1.00 0.49 H new ATOM 0 HG11 VAL A 164 -6.917 8.761 -6.779 1.00 0.54 H new ATOM 0 HG12 VAL A 164 -7.471 8.606 -5.094 1.00 0.54 H new ATOM 0 HG13 VAL A 164 -5.896 9.356 -5.448 1.00 0.54 H new ATOM 0 HG21 VAL A 164 -5.163 7.334 -7.667 1.00 0.58 H new ATOM 0 HG22 VAL A 164 -4.043 7.929 -6.418 1.00 0.58 H new ATOM 0 HG23 VAL A 164 -4.301 6.180 -6.622 1.00 0.58 H new ATOM 2134 N PRO A 165 -6.412 4.817 -3.419 1.00 0.39 N ATOM 2135 CA PRO A 165 -6.337 3.464 -2.873 1.00 0.39 C ATOM 2136 C PRO A 165 -6.052 2.411 -3.952 1.00 0.42 C ATOM 2137 O PRO A 165 -6.216 2.658 -5.153 1.00 0.52 O ATOM 2138 CB PRO A 165 -7.654 3.245 -2.125 1.00 0.39 C ATOM 2139 CG PRO A 165 -8.632 4.141 -2.877 1.00 0.42 C ATOM 2140 CD PRO A 165 -7.777 5.318 -3.343 1.00 0.41 C ATOM 0 HA PRO A 165 -5.494 3.352 -2.191 1.00 0.39 H new ATOM 0 HB2 PRO A 165 -7.963 2.200 -2.151 1.00 0.39 H new ATOM 0 HB3 PRO A 165 -7.573 3.528 -1.075 1.00 0.39 H new ATOM 0 HG2 PRO A 165 -9.084 3.618 -3.720 1.00 0.42 H new ATOM 0 HG3 PRO A 165 -9.447 4.471 -2.232 1.00 0.42 H new ATOM 0 HD2 PRO A 165 -8.113 5.684 -4.313 1.00 0.41 H new ATOM 0 HD3 PRO A 165 -7.848 6.152 -2.645 1.00 0.41 H new ATOM 2148 N ILE A 166 -5.603 1.238 -3.498 1.00 0.55 N ATOM 2149 CA ILE A 166 -5.031 0.176 -4.337 1.00 0.56 C ATOM 2150 C ILE A 166 -5.740 -1.161 -4.093 1.00 0.48 C ATOM 2151 O ILE A 166 -5.684 -1.672 -2.975 1.00 0.50 O ATOM 2152 CB ILE A 166 -3.506 0.019 -4.054 1.00 0.58 C ATOM 2153 CG1 ILE A 166 -2.724 1.346 -3.878 1.00 0.75 C ATOM 2154 CG2 ILE A 166 -2.857 -0.811 -5.174 1.00 0.61 C ATOM 2155 CD1 ILE A 166 -2.661 1.830 -2.421 1.00 1.39 C ATOM 0 H ILE A 166 -5.627 0.992 -2.508 1.00 0.55 H new ATOM 0 HA ILE A 166 -5.175 0.462 -5.379 1.00 0.56 H new ATOM 0 HB ILE A 166 -3.443 -0.486 -3.090 1.00 0.58 H new ATOM 0 HG12 ILE A 166 -1.709 1.213 -4.253 1.00 0.75 H new ATOM 0 HG13 ILE A 166 -3.191 2.118 -4.489 1.00 0.75 H new ATOM 0 HG21 ILE A 166 -1.791 -0.920 -4.975 1.00 0.61 H new ATOM 0 HG22 ILE A 166 -3.322 -1.796 -5.213 1.00 0.61 H new ATOM 0 HG23 ILE A 166 -2.998 -0.306 -6.130 1.00 0.61 H new ATOM 0 HD11 ILE A 166 -2.099 2.763 -2.371 1.00 1.39 H new ATOM 0 HD12 ILE A 166 -3.672 1.995 -2.048 1.00 1.39 H new ATOM 0 HD13 ILE A 166 -2.167 1.076 -1.808 1.00 1.39 H new ATOM 2167 N GLU A 167 -6.368 -1.754 -5.115 1.00 0.65 N ATOM 2168 CA GLU A 167 -6.866 -3.140 -5.070 1.00 0.57 C ATOM 2169 C GLU A 167 -5.703 -4.144 -5.174 1.00 0.50 C ATOM 2170 O GLU A 167 -4.783 -3.952 -5.977 1.00 0.58 O ATOM 2171 CB GLU A 167 -7.908 -3.402 -6.180 1.00 0.70 C ATOM 2172 CG GLU A 167 -8.517 -4.815 -6.079 1.00 1.98 C ATOM 2173 CD GLU A 167 -9.531 -5.114 -7.188 1.00 2.52 C ATOM 2174 OE1 GLU A 167 -9.133 -5.622 -8.267 1.00 3.29 O ATOM 2175 OE2 GLU A 167 -10.748 -4.902 -6.966 1.00 3.24 O ATOM 0 H GLU A 167 -6.548 -1.286 -6.003 1.00 0.65 H new ATOM 0 HA GLU A 167 -7.359 -3.280 -4.108 1.00 0.57 H new ATOM 0 HB2 GLU A 167 -8.703 -2.659 -6.114 1.00 0.70 H new ATOM 0 HB3 GLU A 167 -7.437 -3.279 -7.155 1.00 0.70 H new ATOM 0 HG2 GLU A 167 -7.716 -5.553 -6.119 1.00 1.98 H new ATOM 0 HG3 GLU A 167 -9.004 -4.926 -5.110 1.00 1.98 H new ATOM 2182 N ILE A 168 -5.765 -5.239 -4.404 1.00 0.45 N ATOM 2183 CA ILE A 168 -4.814 -6.355 -4.466 1.00 0.44 C ATOM 2184 C ILE A 168 -5.507 -7.707 -4.205 1.00 0.45 C ATOM 2185 O ILE A 168 -6.414 -7.793 -3.380 1.00 0.48 O ATOM 2186 CB ILE A 168 -3.635 -6.078 -3.499 1.00 0.38 C ATOM 2187 CG1 ILE A 168 -2.504 -7.108 -3.685 1.00 0.48 C ATOM 2188 CG2 ILE A 168 -4.086 -6.037 -2.027 1.00 0.33 C ATOM 2189 CD1 ILE A 168 -1.176 -6.697 -3.036 1.00 0.45 C ATOM 0 H ILE A 168 -6.495 -5.376 -3.705 1.00 0.45 H new ATOM 0 HA ILE A 168 -4.407 -6.430 -5.475 1.00 0.44 H new ATOM 0 HB ILE A 168 -3.250 -5.090 -3.753 1.00 0.38 H new ATOM 0 HG12 ILE A 168 -2.822 -8.062 -3.265 1.00 0.48 H new ATOM 0 HG13 ILE A 168 -2.342 -7.267 -4.751 1.00 0.48 H new ATOM 0 HG21 ILE A 168 -3.225 -5.840 -1.388 1.00 0.33 H new ATOM 0 HG22 ILE A 168 -4.825 -5.246 -1.895 1.00 0.33 H new ATOM 0 HG23 ILE A 168 -4.528 -6.996 -1.755 1.00 0.33 H new ATOM 0 HD11 ILE A 168 -0.430 -7.473 -3.210 1.00 0.45 H new ATOM 0 HD12 ILE A 168 -0.833 -5.759 -3.472 1.00 0.45 H new ATOM 0 HD13 ILE A 168 -1.320 -6.567 -1.963 1.00 0.45 H new ATOM 2201 N GLU A 169 -5.071 -8.776 -4.874 1.00 0.57 N ATOM 2202 CA GLU A 169 -5.469 -10.166 -4.577 1.00 0.57 C ATOM 2203 C GLU A 169 -4.257 -11.000 -4.110 1.00 0.60 C ATOM 2204 O GLU A 169 -3.100 -10.677 -4.409 1.00 0.65 O ATOM 2205 CB GLU A 169 -6.188 -10.807 -5.785 1.00 0.65 C ATOM 2206 CG GLU A 169 -7.076 -11.998 -5.384 1.00 0.86 C ATOM 2207 CD GLU A 169 -7.523 -12.841 -6.580 1.00 0.99 C ATOM 2208 OE1 GLU A 169 -8.248 -12.326 -7.462 1.00 1.63 O ATOM 2209 OE2 GLU A 169 -7.176 -14.047 -6.643 1.00 2.11 O ATOM 0 H GLU A 169 -4.418 -8.705 -5.654 1.00 0.57 H new ATOM 0 HA GLU A 169 -6.183 -10.150 -3.753 1.00 0.57 H new ATOM 0 HB2 GLU A 169 -6.800 -10.053 -6.280 1.00 0.65 H new ATOM 0 HB3 GLU A 169 -5.445 -11.141 -6.510 1.00 0.65 H new ATOM 0 HG2 GLU A 169 -6.531 -12.631 -4.684 1.00 0.86 H new ATOM 0 HG3 GLU A 169 -7.956 -11.627 -4.859 1.00 0.86 H new ATOM 2216 N LEU A 170 -4.520 -12.093 -3.389 1.00 0.65 N ATOM 2217 CA LEU A 170 -3.520 -13.042 -2.889 1.00 0.77 C ATOM 2218 C LEU A 170 -2.711 -13.718 -4.021 1.00 0.81 C ATOM 2219 O LEU A 170 -3.214 -13.883 -5.141 1.00 0.82 O ATOM 2220 CB LEU A 170 -4.235 -14.092 -2.013 1.00 0.95 C ATOM 2221 CG LEU A 170 -4.404 -13.766 -0.508 1.00 0.87 C ATOM 2222 CD1 LEU A 170 -3.369 -14.491 0.346 1.00 0.90 C ATOM 2223 CD2 LEU A 170 -4.317 -12.283 -0.129 1.00 1.14 C ATOM 0 H LEU A 170 -5.471 -12.352 -3.127 1.00 0.65 H new ATOM 0 HA LEU A 170 -2.790 -12.490 -2.297 1.00 0.77 H new ATOM 0 HB2 LEU A 170 -5.226 -14.264 -2.434 1.00 0.95 H new ATOM 0 HB3 LEU A 170 -3.686 -15.030 -2.095 1.00 0.95 H new ATOM 0 HG LEU A 170 -5.421 -14.105 -0.310 1.00 0.87 H new ATOM 0 HD11 LEU A 170 -3.520 -14.237 1.395 1.00 0.90 H new ATOM 0 HD12 LEU A 170 -3.478 -15.567 0.214 1.00 0.90 H new ATOM 0 HD13 LEU A 170 -2.368 -14.188 0.040 1.00 0.90 H new ATOM 0 HD21 LEU A 170 -4.449 -12.174 0.947 1.00 1.14 H new ATOM 0 HD22 LEU A 170 -3.341 -11.891 -0.416 1.00 1.14 H new ATOM 0 HD23 LEU A 170 -5.098 -11.728 -0.649 1.00 1.14 H new ATOM 2235 N PRO A 171 -1.453 -14.119 -3.751 1.00 0.90 N ATOM 2236 CA PRO A 171 -0.527 -14.563 -4.783 1.00 0.94 C ATOM 2237 C PRO A 171 -0.697 -16.029 -5.182 1.00 0.95 C ATOM 2238 O PRO A 171 -0.427 -16.948 -4.410 1.00 1.11 O ATOM 2239 CB PRO A 171 0.873 -14.306 -4.228 1.00 0.94 C ATOM 2240 CG PRO A 171 0.689 -14.370 -2.715 1.00 0.89 C ATOM 2241 CD PRO A 171 -0.761 -13.966 -2.481 1.00 0.98 C ATOM 0 HA PRO A 171 -0.719 -14.012 -5.704 1.00 0.94 H new ATOM 0 HB2 PRO A 171 1.584 -15.056 -4.576 1.00 0.94 H new ATOM 0 HB3 PRO A 171 1.255 -13.335 -4.543 1.00 0.94 H new ATOM 0 HG2 PRO A 171 0.887 -15.372 -2.335 1.00 0.89 H new ATOM 0 HG3 PRO A 171 1.375 -13.694 -2.204 1.00 0.89 H new ATOM 0 HD2 PRO A 171 -1.217 -14.593 -1.715 1.00 0.98 H new ATOM 0 HD3 PRO A 171 -0.823 -12.936 -2.129 1.00 0.98 H new ATOM 2249 N LEU A 172 -1.065 -16.223 -6.443 1.00 0.86 N ATOM 2250 CA LEU A 172 -1.018 -17.486 -7.179 1.00 0.86 C ATOM 2251 C LEU A 172 -0.292 -17.149 -8.497 1.00 0.85 C ATOM 2252 O LEU A 172 -0.847 -17.225 -9.596 1.00 1.11 O ATOM 2253 CB LEU A 172 -2.439 -18.080 -7.309 1.00 1.03 C ATOM 2254 CG LEU A 172 -2.529 -19.617 -7.398 1.00 1.37 C ATOM 2255 CD1 LEU A 172 -1.669 -20.222 -8.508 1.00 2.39 C ATOM 2256 CD2 LEU A 172 -2.150 -20.285 -6.073 1.00 2.40 C ATOM 0 H LEU A 172 -1.426 -15.459 -7.015 1.00 0.86 H new ATOM 0 HA LEU A 172 -0.468 -18.284 -6.681 1.00 0.86 H new ATOM 0 HB2 LEU A 172 -3.027 -17.751 -6.452 1.00 1.03 H new ATOM 0 HB3 LEU A 172 -2.907 -17.657 -8.198 1.00 1.03 H new ATOM 0 HG LEU A 172 -3.574 -19.815 -7.635 1.00 1.37 H new ATOM 0 HD11 LEU A 172 -1.785 -21.306 -8.508 1.00 2.39 H new ATOM 0 HD12 LEU A 172 -1.986 -19.823 -9.472 1.00 2.39 H new ATOM 0 HD13 LEU A 172 -0.623 -19.969 -8.337 1.00 2.39 H new ATOM 0 HD21 LEU A 172 -2.226 -21.367 -6.176 1.00 2.40 H new ATOM 0 HD22 LEU A 172 -1.127 -20.016 -5.810 1.00 2.40 H new ATOM 0 HD23 LEU A 172 -2.827 -19.947 -5.288 1.00 2.40 H new ATOM 2268 N ASN A 173 0.931 -16.631 -8.332 1.00 0.88 N ATOM 2269 CA ASN A 173 1.760 -15.977 -9.346 1.00 0.94 C ATOM 2270 C ASN A 173 3.175 -16.607 -9.378 1.00 1.04 C ATOM 2271 O ASN A 173 3.560 -17.346 -8.465 1.00 1.93 O ATOM 2272 CB ASN A 173 1.846 -14.463 -9.018 1.00 1.08 C ATOM 2273 CG ASN A 173 0.537 -13.674 -8.900 1.00 1.94 C ATOM 2274 OD1 ASN A 173 -0.468 -14.086 -8.326 1.00 3.57 O ATOM 2275 ND2 ASN A 173 0.540 -12.445 -9.350 1.00 1.65 N ATOM 0 H ASN A 173 1.397 -16.661 -7.425 1.00 0.88 H new ATOM 0 HA ASN A 173 1.312 -16.113 -10.330 1.00 0.94 H new ATOM 0 HB2 ASN A 173 2.386 -14.356 -8.077 1.00 1.08 H new ATOM 0 HB3 ASN A 173 2.453 -13.989 -9.789 1.00 1.08 H new ATOM 0 HD21 ASN A 173 -0.280 -11.853 -9.221 1.00 1.65 H new ATOM 0 HD22 ASN A 173 1.363 -12.080 -9.830 1.00 1.65 H new ATOM 2282 N ASP A 174 3.998 -16.271 -10.374 1.00 0.96 N ATOM 2283 CA ASP A 174 5.367 -16.802 -10.513 1.00 1.12 C ATOM 2284 C ASP A 174 6.373 -16.247 -9.474 1.00 1.06 C ATOM 2285 O ASP A 174 7.486 -16.765 -9.369 1.00 1.51 O ATOM 2286 CB ASP A 174 5.845 -16.543 -11.954 1.00 1.53 C ATOM 2287 CG ASP A 174 6.998 -17.451 -12.388 1.00 2.25 C ATOM 2288 OD1 ASP A 174 6.738 -18.650 -12.646 1.00 2.94 O ATOM 2289 OD2 ASP A 174 8.147 -16.972 -12.551 1.00 3.19 O ATOM 0 H ASP A 174 3.737 -15.619 -11.114 1.00 0.96 H new ATOM 0 HA ASP A 174 5.329 -17.872 -10.307 1.00 1.12 H new ATOM 0 HB2 ASP A 174 5.007 -16.682 -12.637 1.00 1.53 H new ATOM 0 HB3 ASP A 174 6.159 -15.503 -12.043 1.00 1.53 H new ATOM 2294 N VAL A 175 6.019 -15.204 -8.708 1.00 0.86 N ATOM 2295 CA VAL A 175 6.950 -14.483 -7.812 1.00 0.84 C ATOM 2296 C VAL A 175 7.263 -15.205 -6.498 1.00 0.89 C ATOM 2297 O VAL A 175 6.433 -15.938 -5.953 1.00 0.96 O ATOM 2298 CB VAL A 175 6.591 -13.000 -7.592 1.00 0.79 C ATOM 2299 CG1 VAL A 175 6.216 -12.327 -8.917 1.00 1.03 C ATOM 2300 CG2 VAL A 175 5.482 -12.766 -6.567 1.00 0.61 C ATOM 0 H VAL A 175 5.070 -14.830 -8.689 1.00 0.86 H new ATOM 0 HA VAL A 175 7.884 -14.488 -8.373 1.00 0.84 H new ATOM 0 HB VAL A 175 7.493 -12.548 -7.180 1.00 0.79 H new ATOM 0 HG11 VAL A 175 5.967 -11.281 -8.736 1.00 1.03 H new ATOM 0 HG12 VAL A 175 7.059 -12.385 -9.606 1.00 1.03 H new ATOM 0 HG13 VAL A 175 5.356 -12.835 -9.352 1.00 1.03 H new ATOM 0 HG21 VAL A 175 5.293 -11.697 -6.474 1.00 0.61 H new ATOM 0 HG22 VAL A 175 4.572 -13.269 -6.895 1.00 0.61 H new ATOM 0 HG23 VAL A 175 5.789 -13.166 -5.601 1.00 0.61 H new ATOM 2310 N VAL A 176 8.479 -14.993 -5.991 1.00 0.98 N ATOM 2311 CA VAL A 176 8.972 -15.548 -4.719 1.00 1.12 C ATOM 2312 C VAL A 176 8.477 -14.738 -3.519 1.00 1.10 C ATOM 2313 O VAL A 176 8.146 -15.319 -2.483 1.00 1.23 O ATOM 2314 CB VAL A 176 10.511 -15.611 -4.723 1.00 1.36 C ATOM 2315 CG1 VAL A 176 11.058 -16.067 -3.366 1.00 1.84 C ATOM 2316 CG2 VAL A 176 11.010 -16.592 -5.792 1.00 1.56 C ATOM 0 H VAL A 176 9.172 -14.414 -6.465 1.00 0.98 H new ATOM 0 HA VAL A 176 8.574 -16.558 -4.623 1.00 1.12 H new ATOM 0 HB VAL A 176 10.867 -14.604 -4.938 1.00 1.36 H new ATOM 0 HG11 VAL A 176 12.147 -16.100 -3.405 1.00 1.84 H new ATOM 0 HG12 VAL A 176 10.744 -15.366 -2.593 1.00 1.84 H new ATOM 0 HG13 VAL A 176 10.673 -17.060 -3.134 1.00 1.84 H new ATOM 0 HG21 VAL A 176 12.100 -16.622 -5.778 1.00 1.56 H new ATOM 0 HG22 VAL A 176 10.617 -17.587 -5.584 1.00 1.56 H new ATOM 0 HG23 VAL A 176 10.668 -16.265 -6.774 1.00 1.56 H new ATOM 2326 N ASP A 177 8.421 -13.412 -3.658 1.00 1.01 N ATOM 2327 CA ASP A 177 7.802 -12.488 -2.705 1.00 1.09 C ATOM 2328 C ASP A 177 7.237 -11.252 -3.432 1.00 0.71 C ATOM 2329 O ASP A 177 7.797 -10.841 -4.451 1.00 0.82 O ATOM 2330 CB ASP A 177 8.778 -12.125 -1.575 1.00 1.77 C ATOM 2331 CG ASP A 177 9.964 -11.249 -1.993 1.00 1.34 C ATOM 2332 OD1 ASP A 177 10.937 -11.741 -2.618 1.00 2.59 O ATOM 2333 OD2 ASP A 177 9.955 -10.034 -1.687 1.00 2.38 O ATOM 0 H ASP A 177 8.820 -12.935 -4.466 1.00 1.01 H new ATOM 0 HA ASP A 177 6.956 -12.986 -2.231 1.00 1.09 H new ATOM 0 HB2 ASP A 177 8.225 -11.609 -0.790 1.00 1.77 H new ATOM 0 HB3 ASP A 177 9.164 -13.047 -1.140 1.00 1.77 H new ATOM 2338 N ALA A 178 6.136 -10.672 -2.938 1.00 0.52 N ATOM 2339 CA ALA A 178 5.366 -9.645 -3.658 1.00 0.36 C ATOM 2340 C ALA A 178 5.705 -8.193 -3.259 1.00 0.37 C ATOM 2341 O ALA A 178 6.221 -7.956 -2.164 1.00 0.41 O ATOM 2342 CB ALA A 178 3.872 -9.942 -3.468 1.00 0.60 C ATOM 0 H ALA A 178 5.750 -10.902 -2.022 1.00 0.52 H new ATOM 0 HA ALA A 178 5.644 -9.705 -4.710 1.00 0.36 H new ATOM 0 HB1 ALA A 178 3.282 -9.192 -3.994 1.00 0.60 H new ATOM 0 HB2 ALA A 178 3.644 -10.930 -3.869 1.00 0.60 H new ATOM 0 HB3 ALA A 178 3.628 -9.916 -2.406 1.00 0.60 H new ATOM 2348 N HIS A 179 5.348 -7.209 -4.099 1.00 0.37 N ATOM 2349 CA HIS A 179 5.493 -5.775 -3.792 1.00 0.38 C ATOM 2350 C HIS A 179 4.259 -4.907 -4.122 1.00 0.36 C ATOM 2351 O HIS A 179 3.315 -5.349 -4.782 1.00 0.40 O ATOM 2352 CB HIS A 179 6.751 -5.192 -4.464 1.00 0.44 C ATOM 2353 CG HIS A 179 8.028 -5.901 -4.105 1.00 0.50 C ATOM 2354 ND1 HIS A 179 8.951 -5.463 -3.187 1.00 0.53 N ATOM 2355 CD2 HIS A 179 8.489 -7.084 -4.619 1.00 0.57 C ATOM 2356 CE1 HIS A 179 9.946 -6.360 -3.140 1.00 0.60 C ATOM 2357 NE2 HIS A 179 9.718 -7.367 -4.007 1.00 0.64 N ATOM 0 H HIS A 179 4.947 -7.387 -5.020 1.00 0.37 H new ATOM 0 HA HIS A 179 5.595 -5.734 -2.708 1.00 0.38 H new ATOM 0 HB2 HIS A 179 6.621 -5.228 -5.546 1.00 0.44 H new ATOM 0 HB3 HIS A 179 6.842 -4.141 -4.188 1.00 0.44 H new ATOM 0 HD1 HIS A 179 8.890 -4.606 -2.638 1.00 0.53 H new ATOM 0 HD2 HIS A 179 7.994 -7.690 -5.363 1.00 0.57 H new ATOM 0 HE1 HIS A 179 10.810 -6.286 -2.497 1.00 0.60 H new ATOM 2365 N VAL A 180 4.289 -3.648 -3.660 1.00 0.36 N ATOM 2366 CA VAL A 180 3.313 -2.579 -3.952 1.00 0.40 C ATOM 2367 C VAL A 180 4.015 -1.242 -4.194 1.00 0.42 C ATOM 2368 O VAL A 180 4.962 -0.924 -3.477 1.00 0.43 O ATOM 2369 CB VAL A 180 2.323 -2.321 -2.794 1.00 0.48 C ATOM 2370 CG1 VAL A 180 0.974 -1.895 -3.357 1.00 0.60 C ATOM 2371 CG2 VAL A 180 2.122 -3.470 -1.813 1.00 0.50 C ATOM 0 H VAL A 180 5.033 -3.328 -3.040 1.00 0.36 H new ATOM 0 HA VAL A 180 2.778 -2.933 -4.833 1.00 0.40 H new ATOM 0 HB VAL A 180 2.789 -1.529 -2.207 1.00 0.48 H new ATOM 0 HG11 VAL A 180 0.278 -1.714 -2.537 1.00 0.60 H new ATOM 0 HG12 VAL A 180 1.095 -0.981 -3.939 1.00 0.60 H new ATOM 0 HG13 VAL A 180 0.582 -2.684 -3.998 1.00 0.60 H new ATOM 0 HG21 VAL A 180 1.407 -3.173 -1.046 1.00 0.50 H new ATOM 0 HG22 VAL A 180 1.741 -4.341 -2.346 1.00 0.50 H new ATOM 0 HG23 VAL A 180 3.074 -3.719 -1.345 1.00 0.50 H new ATOM 2381 N TYR A 181 3.479 -0.428 -5.104 1.00 0.46 N ATOM 2382 CA TYR A 181 3.945 0.925 -5.421 1.00 0.47 C ATOM 2383 C TYR A 181 2.758 1.896 -5.580 1.00 0.46 C ATOM 2384 O TYR A 181 2.302 2.117 -6.703 1.00 0.52 O ATOM 2385 CB TYR A 181 4.810 0.858 -6.681 1.00 0.55 C ATOM 2386 CG TYR A 181 6.154 0.203 -6.442 1.00 0.67 C ATOM 2387 CD1 TYR A 181 7.235 0.995 -6.016 1.00 2.07 C ATOM 2388 CD2 TYR A 181 6.323 -1.185 -6.608 1.00 1.42 C ATOM 2389 CE1 TYR A 181 8.508 0.421 -5.839 1.00 2.22 C ATOM 2390 CE2 TYR A 181 7.575 -1.774 -6.361 1.00 1.43 C ATOM 2391 CZ TYR A 181 8.682 -0.967 -6.022 1.00 1.06 C ATOM 2392 OH TYR A 181 9.918 -1.523 -5.940 1.00 1.31 O ATOM 0 H TYR A 181 2.673 -0.704 -5.665 1.00 0.46 H new ATOM 0 HA TYR A 181 4.548 1.314 -4.601 1.00 0.47 H new ATOM 0 HB2 TYR A 181 4.275 0.305 -7.453 1.00 0.55 H new ATOM 0 HB3 TYR A 181 4.966 1.867 -7.062 1.00 0.55 H new ATOM 0 HD1 TYR A 181 7.088 2.048 -5.824 1.00 2.07 H new ATOM 0 HD2 TYR A 181 5.491 -1.797 -6.925 1.00 1.42 H new ATOM 0 HE1 TYR A 181 9.349 1.041 -5.564 1.00 2.22 H new ATOM 0 HE2 TYR A 181 7.690 -2.846 -6.431 1.00 1.43 H new ATOM 0 HH TYR A 181 9.890 -2.294 -5.336 1.00 1.31 H new ATOM 2402 N PRO A 182 2.217 2.455 -4.478 1.00 0.45 N ATOM 2403 CA PRO A 182 1.158 3.463 -4.521 1.00 0.48 C ATOM 2404 C PRO A 182 1.633 4.818 -5.065 1.00 0.50 C ATOM 2405 O PRO A 182 2.799 5.199 -4.907 1.00 0.56 O ATOM 2406 CB PRO A 182 0.615 3.584 -3.094 1.00 0.55 C ATOM 2407 CG PRO A 182 1.744 3.052 -2.212 1.00 0.56 C ATOM 2408 CD PRO A 182 2.486 2.058 -3.107 1.00 0.47 C ATOM 0 HA PRO A 182 0.379 3.151 -5.217 1.00 0.48 H new ATOM 0 HB2 PRO A 182 0.372 4.618 -2.848 1.00 0.55 H new ATOM 0 HB3 PRO A 182 -0.298 3.002 -2.965 1.00 0.55 H new ATOM 0 HG2 PRO A 182 2.401 3.855 -1.879 1.00 0.56 H new ATOM 0 HG3 PRO A 182 1.355 2.567 -1.317 1.00 0.56 H new ATOM 0 HD2 PRO A 182 3.556 2.075 -2.901 1.00 0.47 H new ATOM 0 HD3 PRO A 182 2.142 1.040 -2.924 1.00 0.47 H new ATOM 2416 N LYS A 183 0.696 5.548 -5.682 1.00 0.52 N ATOM 2417 CA LYS A 183 0.902 6.789 -6.448 1.00 0.56 C ATOM 2418 C LYS A 183 -0.078 7.895 -6.028 1.00 0.63 C ATOM 2419 O LYS A 183 -1.169 7.636 -5.518 1.00 1.03 O ATOM 2420 CB LYS A 183 0.773 6.488 -7.958 1.00 0.59 C ATOM 2421 CG LYS A 183 1.910 5.597 -8.504 1.00 0.61 C ATOM 2422 CD LYS A 183 1.453 4.173 -8.848 1.00 1.30 C ATOM 2423 CE LYS A 183 0.683 4.088 -10.172 1.00 1.03 C ATOM 2424 NZ LYS A 183 0.142 2.724 -10.369 1.00 1.59 N ATOM 0 H LYS A 183 -0.286 5.274 -5.660 1.00 0.52 H new ATOM 0 HA LYS A 183 1.905 7.159 -6.234 1.00 0.56 H new ATOM 0 HB2 LYS A 183 -0.183 5.999 -8.143 1.00 0.59 H new ATOM 0 HB3 LYS A 183 0.762 7.428 -8.509 1.00 0.59 H new ATOM 0 HG2 LYS A 183 2.330 6.062 -9.396 1.00 0.61 H new ATOM 0 HG3 LYS A 183 2.709 5.546 -7.765 1.00 0.61 H new ATOM 0 HD2 LYS A 183 2.325 3.521 -8.900 1.00 1.30 H new ATOM 0 HD3 LYS A 183 0.821 3.797 -8.043 1.00 1.30 H new ATOM 0 HE2 LYS A 183 -0.131 4.813 -10.173 1.00 1.03 H new ATOM 0 HE3 LYS A 183 1.342 4.348 -11.000 1.00 1.03 H new ATOM 0 HZ1 LYS A 183 -0.376 2.683 -11.270 1.00 1.59 H new ATOM 0 HZ2 LYS A 183 0.925 2.040 -10.389 1.00 1.59 H new ATOM 0 HZ3 LYS A 183 -0.503 2.490 -9.587 1.00 1.59 H new ATOM 2438 N ASN A 184 0.306 9.147 -6.278 0.49 0.46 N ATOM 2439 CA ASN A 184 -0.553 10.313 -6.079 0.49 0.52 C ATOM 2440 C ASN A 184 -1.388 10.673 -7.317 0.49 0.51 C ATOM 2441 O ASN A 184 -1.331 10.034 -8.376 0.49 0.67 O ATOM 2442 CB ASN A 184 0.246 11.489 -5.484 0.49 0.72 C ATOM 2443 CG ASN A 184 1.161 12.210 -6.423 0.49 2.47 C ATOM 2444 OD1 ASN A 184 2.328 11.893 -6.568 0.49 3.79 O ATOM 2445 ND2 ASN A 184 0.713 13.272 -7.015 0.49 3.43 N ATOM 0 H ASN A 184 1.234 9.382 -6.629 0.49 0.46 H new ATOM 0 HA ASN A 184 -1.305 10.046 -5.336 0.49 0.52 H new ATOM 0 HB2 ASN A 184 -0.461 12.210 -5.074 0.49 0.72 H new ATOM 0 HB3 ASN A 184 0.838 11.113 -4.650 0.49 0.72 H new ATOM 0 HD21 ASN A 184 1.336 13.833 -7.596 0.49 3.43 H new ATOM 0 HD22 ASN A 184 -0.263 13.547 -6.900 0.49 3.43 H new ATOM 2452 N THR A 185 -2.217 11.697 -7.136 0.49 0.64 N ATOM 2453 CA THR A 185 -3.115 12.275 -8.140 0.49 0.76 C ATOM 2454 C THR A 185 -2.898 13.771 -8.311 0.49 1.20 C ATOM 2455 O THR A 185 -2.086 14.393 -7.630 0.49 2.17 O ATOM 2456 CB THR A 185 -4.585 11.996 -7.798 0.49 1.25 C ATOM 2457 OG1 THR A 185 -4.855 12.384 -6.474 0.49 3.31 O ATOM 2458 CG2 THR A 185 -4.921 10.527 -7.979 0.49 1.34 C ATOM 0 H THR A 185 -2.287 12.174 -6.237 0.49 0.64 H new ATOM 0 HA THR A 185 -2.874 11.791 -9.086 0.49 0.76 H new ATOM 0 HB THR A 185 -5.205 12.577 -8.481 0.49 1.25 H new ATOM 0 HG1 THR A 185 -4.199 11.974 -5.873 0.49 3.31 H new ATOM 0 HG21 THR A 185 -5.969 10.360 -7.729 0.49 1.34 H new ATOM 0 HG22 THR A 185 -4.744 10.238 -9.015 0.49 1.34 H new ATOM 0 HG23 THR A 185 -4.291 9.926 -7.323 0.49 1.34 H new