USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 992 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 92 THR OG1 : rot -36:sc= 0.138 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.949 K(o=1.1,f=-0.21) USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0.271 USER MOD Set 2.2: A 80 CYS SG : rot 86:sc= -0.783 USER MOD Set 3.1: A 5 MET CE :methyl 167:sc= -0.0953 (180deg=-0.662) USER MOD Set 3.2: A 35 CYS SG : rot -96:sc= 0.401 USER MOD Set 3.3: A 69 ASN : amide:sc= 0.447 K(o=0.88,f=-0.16) USER MOD Set 3.4: A 73 TYR OH : rot 30:sc= 0.13 USER MOD Set 4.1: A 16 GLN : amide:sc= 1.76 K(o=5.3,f=-4) USER MOD Set 4.2: A 23 LYS NZ :NH3+ 174:sc= 1.73 (180deg=1.15) USER MOD Set 4.3: A 60 GLN : amide:sc= 1.85 K(o=5.3,f=-2.6) USER MOD Set 5.1: A 13 CYS SG : rot 137:sc= 0.551 USER MOD Set 5.2: A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 11 ASN : amide:sc= 0.831 K(o=2,f=-2.3!) USER MOD Set 6.2: A 15 SER OG : rot -53:sc= 0.737 USER MOD Set 6.3: A 34 SER OG : rot -160:sc= 0.386 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0031 (180deg=-0.23) USER MOD Single : A 1 MET N :NH3+ 142:sc= 1.25 (180deg=0.573) USER MOD Single : A 2 LYS NZ :NH3+ 147:sc= 2.4 (180deg=1.69) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.2) USER MOD Single : A 8 CYS SG : rot 175:sc= 0.17 USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= 1.21 (180deg=0.921) USER MOD Single : A 12 SER OG : rot 150:sc= 0.0599 USER MOD Single : A 24 THR OG1 : rot 90:sc= 0.713 USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.846 (180deg=0.832) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 160:sc= 0 USER MOD Single : A 40 SER OG : rot 140:sc= 0.745 USER MOD Single : A 43 HIS : no HD1:sc= 0.871 K(o=0.87,f=-4.6!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 172:sc= -0.572 (180deg=-0.716) USER MOD Single : A 50 MET CE :methyl -140:sc= -0.373 (180deg=-3.24) USER MOD Single : A 58 SER OG : rot -90:sc= 1.23 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -90:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.867 K(o=0.87,f=-0.12) USER MOD Single : A 82 CYS SG : rot 180:sc= -0.0748 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 1.17 K(o=1.2,f=-0.47) USER MOD Single : A 107 GLN : amide:sc= 0.247 K(o=0.25,f=-0.87) USER MOD Single : A 108 SER OG : rot 180:sc= 0.196 USER MOD Single : A 114 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 118 GLN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0.871 K(o=0.87,f=0) USER MOD Single : A 129 LYS NZ :NH3+ -157:sc= 0.75 (180deg=0.491) USER MOD Single : A 131 SER OG : rot 85:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.872 -0.087 1.282 1.00 0.00 N ATOM 2 CA MET A 1 2.275 0.062 -0.147 1.00 0.00 C ATOM 3 C MET A 1 2.307 1.534 -0.569 1.00 0.00 C ATOM 4 O MET A 1 1.292 2.218 -0.464 1.00 0.00 O ATOM 5 CB MET A 1 1.394 -0.777 -1.101 1.00 0.00 C ATOM 6 CG MET A 1 1.962 -0.798 -2.531 1.00 0.00 C ATOM 7 SD MET A 1 1.048 -1.884 -3.664 1.00 0.00 S ATOM 8 CE MET A 1 2.302 -2.112 -4.950 1.00 0.00 C ATOM 0 H1 MET A 1 1.264 -0.924 1.386 1.00 0.00 H new ATOM 0 H2 MET A 1 2.721 -0.200 1.872 1.00 0.00 H new ATOM 0 H3 MET A 1 1.350 0.760 1.586 1.00 0.00 H new ATOM 0 HA MET A 1 3.288 -0.332 -0.227 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.319 -1.797 -0.724 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.384 -0.368 -1.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.956 0.216 -2.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.003 -1.119 -2.494 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.827 -2.475 -5.861 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.794 -1.160 -5.152 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.042 -2.838 -4.612 1.00 0.00 H new ATOM 18 N LYS A 2 3.458 2.009 -1.069 1.00 0.00 N ATOM 19 CA LYS A 2 3.656 3.368 -1.633 1.00 0.00 C ATOM 20 C LYS A 2 4.339 3.336 -3.006 1.00 0.00 C ATOM 21 O LYS A 2 4.904 2.314 -3.390 1.00 0.00 O ATOM 22 CB LYS A 2 4.413 4.229 -0.598 1.00 0.00 C ATOM 23 CG LYS A 2 3.471 4.623 0.551 1.00 0.00 C ATOM 24 CD LYS A 2 4.097 5.590 1.567 1.00 0.00 C ATOM 25 CE LYS A 2 3.000 6.136 2.493 1.00 0.00 C ATOM 26 NZ LYS A 2 2.323 7.327 1.910 1.00 0.00 N ATOM 0 H LYS A 2 4.308 1.446 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 2 2.685 3.827 -1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.265 3.674 -0.206 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.809 5.124 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.575 5.082 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.153 3.720 1.072 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.860 5.077 2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 2 4.592 6.411 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 2 2.263 5.356 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.437 6.402 3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.325 7.337 2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.791 8.192 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.380 7.285 0.872 1.00 0.00 H new ATOM 40 N LYS A 3 4.277 4.443 -3.756 1.00 0.00 N ATOM 41 CA LYS A 3 4.871 4.579 -5.102 1.00 0.00 C ATOM 42 C LYS A 3 6.144 5.424 -5.062 1.00 0.00 C ATOM 43 O LYS A 3 6.184 6.466 -4.414 1.00 0.00 O ATOM 44 CB LYS A 3 3.865 5.117 -6.147 1.00 0.00 C ATOM 45 CG LYS A 3 2.622 4.227 -6.353 1.00 0.00 C ATOM 46 CD LYS A 3 1.460 4.439 -5.367 1.00 0.00 C ATOM 47 CE LYS A 3 0.902 5.859 -5.497 1.00 0.00 C ATOM 48 NZ LYS A 3 0.277 6.345 -4.236 1.00 0.00 N ATOM 0 H LYS A 3 3.804 5.290 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 3 5.143 3.575 -5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.538 6.111 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 3 4.378 5.230 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.247 4.391 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.934 3.184 -6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.672 3.712 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.805 4.269 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.706 6.537 -5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.163 5.883 -6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.130 7.290 -4.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.475 5.688 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.998 6.398 -3.489 1.00 0.00 H new ATOM 62 N VAL A 4 7.172 4.983 -5.781 1.00 0.00 N ATOM 63 CA VAL A 4 8.485 5.659 -5.871 1.00 0.00 C ATOM 64 C VAL A 4 8.822 5.940 -7.338 1.00 0.00 C ATOM 65 O VAL A 4 8.585 5.104 -8.203 1.00 0.00 O ATOM 66 CB VAL A 4 9.608 4.892 -5.133 1.00 0.00 C ATOM 67 CG1 VAL A 4 10.886 5.736 -5.016 1.00 0.00 C ATOM 68 CG2 VAL A 4 9.195 4.443 -3.724 1.00 0.00 C ATOM 0 H VAL A 4 7.126 4.127 -6.334 1.00 0.00 H new ATOM 0 HA VAL A 4 8.412 6.613 -5.349 1.00 0.00 H new ATOM 0 HB VAL A 4 9.799 4.007 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 4 11.653 5.165 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 4 11.244 5.995 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.670 6.648 -4.460 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.022 3.910 -3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.939 5.316 -3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.330 3.783 -3.791 1.00 0.00 H new ATOM 78 N MET A 5 9.373 7.116 -7.629 1.00 0.00 N ATOM 79 CA MET A 5 9.705 7.544 -8.991 1.00 0.00 C ATOM 80 C MET A 5 11.128 8.094 -9.034 1.00 0.00 C ATOM 81 O MET A 5 11.505 8.901 -8.186 1.00 0.00 O ATOM 82 CB MET A 5 8.655 8.555 -9.480 1.00 0.00 C ATOM 83 CG MET A 5 9.049 9.297 -10.765 1.00 0.00 C ATOM 84 SD MET A 5 9.357 8.282 -12.234 1.00 0.00 S ATOM 85 CE MET A 5 7.923 8.734 -13.242 1.00 0.00 C ATOM 0 H MET A 5 9.606 7.810 -6.918 1.00 0.00 H new ATOM 0 HA MET A 5 9.678 6.694 -9.673 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.714 8.032 -9.650 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.476 9.286 -8.692 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.257 10.007 -11.003 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.948 9.878 -10.559 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.071 8.383 -14.263 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.027 8.274 -12.827 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.807 9.818 -13.244 1.00 0.00 H new ATOM 95 N PHE A 6 11.909 7.669 -10.024 1.00 0.00 N ATOM 96 CA PHE A 6 13.320 8.047 -10.165 1.00 0.00 C ATOM 97 C PHE A 6 13.522 9.087 -11.274 1.00 0.00 C ATOM 98 O PHE A 6 12.915 8.978 -12.332 1.00 0.00 O ATOM 99 CB PHE A 6 14.182 6.788 -10.364 1.00 0.00 C ATOM 100 CG PHE A 6 13.956 5.740 -9.288 1.00 0.00 C ATOM 101 CD1 PHE A 6 14.597 5.843 -8.039 1.00 0.00 C ATOM 102 CD2 PHE A 6 13.037 4.702 -9.509 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.268 4.959 -6.993 1.00 0.00 C ATOM 104 CE2 PHE A 6 12.700 3.827 -8.466 1.00 0.00 C ATOM 105 CZ PHE A 6 13.291 3.969 -7.201 1.00 0.00 C ATOM 0 H PHE A 6 11.580 7.045 -10.761 1.00 0.00 H new ATOM 0 HA PHE A 6 13.648 8.531 -9.245 1.00 0.00 H new ATOM 0 HB2 PHE A 6 13.962 6.354 -11.339 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.234 7.072 -10.372 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.346 6.605 -7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 6 12.589 4.577 -10.484 1.00 0.00 H new ATOM 0 HE1 PHE A 6 14.763 5.041 -6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 6 11.981 3.039 -8.637 1.00 0.00 H new ATOM 0 HZ PHE A 6 12.996 3.320 -6.390 1.00 0.00 H new ATOM 115 N VAL A 7 14.410 10.061 -11.050 1.00 0.00 N ATOM 116 CA VAL A 7 14.841 11.096 -12.006 1.00 0.00 C ATOM 117 C VAL A 7 16.356 11.035 -12.206 1.00 0.00 C ATOM 118 O VAL A 7 17.128 11.084 -11.256 1.00 0.00 O ATOM 119 CB VAL A 7 14.334 12.506 -11.585 1.00 0.00 C ATOM 120 CG1 VAL A 7 15.239 13.662 -12.036 1.00 0.00 C ATOM 121 CG2 VAL A 7 12.962 12.766 -12.214 1.00 0.00 C ATOM 0 H VAL A 7 14.876 10.157 -10.148 1.00 0.00 H new ATOM 0 HA VAL A 7 14.384 10.895 -12.975 1.00 0.00 H new ATOM 0 HB VAL A 7 14.313 12.488 -10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 7 14.814 14.609 -11.702 1.00 0.00 H new ATOM 0 HG12 VAL A 7 16.232 13.537 -11.603 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.315 13.662 -13.123 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.608 13.754 -11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.045 12.720 -13.300 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.256 12.010 -11.872 1.00 0.00 H new ATOM 131 N CYS A 8 16.786 10.959 -13.463 1.00 0.00 N ATOM 132 CA CYS A 8 18.182 11.108 -13.909 1.00 0.00 C ATOM 133 C CYS A 8 18.239 12.182 -15.010 1.00 0.00 C ATOM 134 O CYS A 8 17.191 12.623 -15.480 1.00 0.00 O ATOM 135 CB CYS A 8 18.669 9.703 -14.317 1.00 0.00 C ATOM 136 SG CYS A 8 20.346 9.663 -15.028 1.00 0.00 S ATOM 0 H CYS A 8 16.147 10.784 -14.239 1.00 0.00 H new ATOM 0 HA CYS A 8 18.861 11.467 -13.136 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.644 9.055 -13.441 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.970 9.286 -15.042 1.00 0.00 H new ATOM 0 HG CYS A 8 20.697 8.430 -15.244 1.00 0.00 H new ATOM 142 N LYS A 9 19.432 12.601 -15.455 1.00 0.00 N ATOM 143 CA LYS A 9 19.571 13.698 -16.440 1.00 0.00 C ATOM 144 C LYS A 9 18.886 13.357 -17.772 1.00 0.00 C ATOM 145 O LYS A 9 18.001 14.085 -18.197 1.00 0.00 O ATOM 146 CB LYS A 9 21.057 14.104 -16.593 1.00 0.00 C ATOM 147 CG LYS A 9 21.200 15.629 -16.748 1.00 0.00 C ATOM 148 CD LYS A 9 22.599 16.065 -17.214 1.00 0.00 C ATOM 149 CE LYS A 9 22.906 15.788 -18.701 1.00 0.00 C ATOM 150 NZ LYS A 9 22.233 16.747 -19.629 1.00 0.00 N ATOM 0 H LYS A 9 20.319 12.200 -15.152 1.00 0.00 H new ATOM 0 HA LYS A 9 19.045 14.575 -16.063 1.00 0.00 H new ATOM 0 HB2 LYS A 9 21.621 13.769 -15.722 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.486 13.605 -17.462 1.00 0.00 H new ATOM 0 HG2 LYS A 9 20.459 15.985 -17.463 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.977 16.107 -15.794 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.711 17.133 -17.028 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.344 15.555 -16.603 1.00 0.00 H new ATOM 0 HE2 LYS A 9 23.984 15.836 -18.858 1.00 0.00 H new ATOM 0 HE3 LYS A 9 22.593 14.773 -18.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.720 16.740 -20.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 21.241 16.464 -19.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 22.270 17.705 -19.225 1.00 0.00 H new ATOM 164 N ARG A 10 19.214 12.187 -18.353 1.00 0.00 N ATOM 165 CA ARG A 10 18.590 11.649 -19.597 1.00 0.00 C ATOM 166 C ARG A 10 17.896 10.282 -19.503 1.00 0.00 C ATOM 167 O ARG A 10 17.527 9.721 -20.520 1.00 0.00 O ATOM 168 CB ARG A 10 19.509 11.844 -20.833 1.00 0.00 C ATOM 169 CG ARG A 10 20.683 10.870 -21.064 1.00 0.00 C ATOM 170 CD ARG A 10 21.719 10.872 -19.933 1.00 0.00 C ATOM 171 NE ARG A 10 23.049 10.391 -20.380 1.00 0.00 N ATOM 172 CZ ARG A 10 24.004 9.913 -19.600 1.00 0.00 C ATOM 173 NH1 ARG A 10 23.740 9.429 -18.425 1.00 0.00 N ATOM 174 NH2 ARG A 10 25.243 9.902 -19.972 1.00 0.00 N ATOM 0 H ARG A 10 19.932 11.571 -17.971 1.00 0.00 H new ATOM 0 HA ARG A 10 17.716 12.281 -19.752 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.876 11.810 -21.720 1.00 0.00 H new ATOM 0 HB3 ARG A 10 19.925 12.850 -20.776 1.00 0.00 H new ATOM 0 HG2 ARG A 10 20.288 9.861 -21.181 1.00 0.00 H new ATOM 0 HG3 ARG A 10 21.179 11.129 -21.999 1.00 0.00 H new ATOM 0 HD2 ARG A 10 21.816 11.882 -19.536 1.00 0.00 H new ATOM 0 HD3 ARG A 10 21.363 10.242 -19.118 1.00 0.00 H new ATOM 0 HE ARG A 10 23.245 10.433 -21.380 1.00 0.00 H new ATOM 0 HH11 ARG A 10 22.779 9.412 -18.085 1.00 0.00 H new ATOM 0 HH12 ARG A 10 24.494 9.066 -17.842 1.00 0.00 H new ATOM 0 HH21 ARG A 10 25.504 10.268 -20.888 1.00 0.00 H new ATOM 0 HH22 ARG A 10 25.959 9.527 -19.350 1.00 0.00 H new ATOM 188 N ASN A 11 17.714 9.734 -18.294 1.00 0.00 N ATOM 189 CA ASN A 11 17.037 8.440 -18.018 1.00 0.00 C ATOM 190 C ASN A 11 17.584 7.212 -18.782 1.00 0.00 C ATOM 191 O ASN A 11 16.876 6.227 -18.997 1.00 0.00 O ATOM 192 CB ASN A 11 15.516 8.665 -18.127 1.00 0.00 C ATOM 193 CG ASN A 11 14.637 7.526 -17.632 1.00 0.00 C ATOM 194 OD1 ASN A 11 13.668 7.171 -18.278 1.00 0.00 O ATOM 195 ND2 ASN A 11 14.903 6.947 -16.480 1.00 0.00 N ATOM 0 H ASN A 11 18.043 10.190 -17.443 1.00 0.00 H new ATOM 0 HA ASN A 11 17.278 8.138 -16.999 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.261 9.565 -17.567 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.271 8.859 -19.171 1.00 0.00 H new ATOM 0 HD21 ASN A 11 14.298 6.203 -16.131 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.714 7.242 -15.936 1.00 0.00 H new ATOM 202 N SER A 12 18.872 7.265 -19.129 1.00 0.00 N ATOM 203 CA SER A 12 19.629 6.180 -19.762 1.00 0.00 C ATOM 204 C SER A 12 20.237 5.227 -18.728 1.00 0.00 C ATOM 205 O SER A 12 20.256 4.021 -18.939 1.00 0.00 O ATOM 206 CB SER A 12 20.732 6.820 -20.604 1.00 0.00 C ATOM 207 OG SER A 12 21.440 7.726 -19.769 1.00 0.00 O ATOM 0 H SER A 12 19.440 8.098 -18.971 1.00 0.00 H new ATOM 0 HA SER A 12 18.959 5.583 -20.380 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.404 6.058 -20.998 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.306 7.342 -21.460 1.00 0.00 H new ATOM 0 HG SER A 12 22.372 7.784 -20.066 1.00 0.00 H new ATOM 213 N CYS A 13 20.727 5.760 -17.602 1.00 0.00 N ATOM 214 CA CYS A 13 21.414 5.023 -16.529 1.00 0.00 C ATOM 215 C CYS A 13 20.981 5.547 -15.144 1.00 0.00 C ATOM 216 O CYS A 13 20.120 6.419 -15.056 1.00 0.00 O ATOM 217 CB CYS A 13 22.929 5.142 -16.828 1.00 0.00 C ATOM 218 SG CYS A 13 23.898 3.938 -15.866 1.00 0.00 S ATOM 0 H CYS A 13 20.654 6.758 -17.403 1.00 0.00 H new ATOM 0 HA CYS A 13 21.148 3.966 -16.501 1.00 0.00 H new ATOM 0 HB2 CYS A 13 23.104 4.984 -17.892 1.00 0.00 H new ATOM 0 HB3 CYS A 13 23.268 6.152 -16.596 1.00 0.00 H new ATOM 0 HG CYS A 13 24.801 3.398 -16.630 1.00 0.00 H new ATOM 224 N ARG A 14 21.556 5.038 -14.046 1.00 0.00 N ATOM 225 CA ARG A 14 21.199 5.337 -12.625 1.00 0.00 C ATOM 226 C ARG A 14 19.733 5.029 -12.293 1.00 0.00 C ATOM 227 O ARG A 14 19.425 3.947 -11.818 1.00 0.00 O ATOM 228 CB ARG A 14 21.694 6.763 -12.247 1.00 0.00 C ATOM 229 CG ARG A 14 23.225 6.824 -12.122 1.00 0.00 C ATOM 230 CD ARG A 14 23.752 8.256 -11.934 1.00 0.00 C ATOM 231 NE ARG A 14 23.876 8.988 -13.219 1.00 0.00 N ATOM 232 CZ ARG A 14 24.121 10.282 -13.369 1.00 0.00 C ATOM 233 NH1 ARG A 14 24.076 11.115 -12.378 1.00 0.00 N ATOM 234 NH2 ARG A 14 24.407 10.777 -14.534 1.00 0.00 N ATOM 0 H ARG A 14 22.324 4.370 -14.113 1.00 0.00 H new ATOM 0 HA ARG A 14 21.731 4.648 -11.969 1.00 0.00 H new ATOM 0 HB2 ARG A 14 21.363 7.475 -13.003 1.00 0.00 H new ATOM 0 HB3 ARG A 14 21.240 7.067 -11.304 1.00 0.00 H new ATOM 0 HG2 ARG A 14 23.540 6.212 -11.277 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.675 6.391 -13.015 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.081 8.803 -11.271 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.725 8.220 -11.444 1.00 0.00 H new ATOM 0 HE ARG A 14 23.761 8.441 -14.072 1.00 0.00 H new ATOM 0 HH11 ARG A 14 23.846 10.782 -11.442 1.00 0.00 H new ATOM 0 HH12 ARG A 14 24.271 12.104 -12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 14 24.446 10.168 -15.351 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.593 11.775 -14.632 1.00 0.00 H new ATOM 248 N SER A 15 18.826 5.936 -12.653 1.00 0.00 N ATOM 249 CA SER A 15 17.350 5.839 -12.508 1.00 0.00 C ATOM 250 C SER A 15 16.758 4.500 -12.946 1.00 0.00 C ATOM 251 O SER A 15 15.911 3.946 -12.255 1.00 0.00 O ATOM 252 CB SER A 15 16.703 6.976 -13.315 1.00 0.00 C ATOM 253 OG SER A 15 17.140 6.928 -14.677 1.00 0.00 O ATOM 0 H SER A 15 19.106 6.818 -13.082 1.00 0.00 H new ATOM 0 HA SER A 15 17.134 5.922 -11.443 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.617 6.891 -13.271 1.00 0.00 H new ATOM 0 HB3 SER A 15 16.965 7.938 -12.875 1.00 0.00 H new ATOM 0 HG SER A 15 18.119 6.907 -14.706 1.00 0.00 H new ATOM 259 N GLN A 16 17.211 3.953 -14.075 1.00 0.00 N ATOM 260 CA GLN A 16 16.688 2.679 -14.611 1.00 0.00 C ATOM 261 C GLN A 16 17.143 1.486 -13.748 1.00 0.00 C ATOM 262 O GLN A 16 16.362 0.578 -13.490 1.00 0.00 O ATOM 263 CB GLN A 16 17.147 2.533 -16.077 1.00 0.00 C ATOM 264 CG GLN A 16 16.590 3.623 -17.019 1.00 0.00 C ATOM 265 CD GLN A 16 15.168 3.381 -17.525 1.00 0.00 C ATOM 266 OE1 GLN A 16 14.461 2.468 -17.124 1.00 0.00 O ATOM 267 NE2 GLN A 16 14.720 4.191 -18.454 1.00 0.00 N ATOM 0 H GLN A 16 17.946 4.371 -14.646 1.00 0.00 H new ATOM 0 HA GLN A 16 15.598 2.687 -14.580 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.236 2.560 -16.111 1.00 0.00 H new ATOM 0 HB3 GLN A 16 16.840 1.555 -16.448 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.615 4.579 -16.497 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.254 3.712 -17.879 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.307 4.954 -18.791 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.785 4.058 -18.839 1.00 0.00 H new ATOM 276 N MET A 17 18.375 1.516 -13.213 1.00 0.00 N ATOM 277 CA MET A 17 18.864 0.493 -12.266 1.00 0.00 C ATOM 278 C MET A 17 18.229 0.647 -10.872 1.00 0.00 C ATOM 279 O MET A 17 17.973 -0.349 -10.207 1.00 0.00 O ATOM 280 CB MET A 17 20.409 0.497 -12.190 1.00 0.00 C ATOM 281 CG MET A 17 21.091 0.080 -13.507 1.00 0.00 C ATOM 282 SD MET A 17 22.786 -0.570 -13.348 1.00 0.00 S ATOM 283 CE MET A 17 23.732 0.930 -12.981 1.00 0.00 C ATOM 0 H MET A 17 19.058 2.244 -13.421 1.00 0.00 H new ATOM 0 HA MET A 17 18.552 -0.479 -12.649 1.00 0.00 H new ATOM 0 HB2 MET A 17 20.749 1.496 -11.915 1.00 0.00 H new ATOM 0 HB3 MET A 17 20.727 -0.178 -11.396 1.00 0.00 H new ATOM 0 HG2 MET A 17 20.475 -0.678 -13.990 1.00 0.00 H new ATOM 0 HG3 MET A 17 21.114 0.943 -14.172 1.00 0.00 H new ATOM 0 HE1 MET A 17 24.785 0.676 -12.860 1.00 0.00 H new ATOM 0 HE2 MET A 17 23.622 1.639 -13.801 1.00 0.00 H new ATOM 0 HE3 MET A 17 23.359 1.379 -12.061 1.00 0.00 H new ATOM 293 N ALA A 18 17.881 1.872 -10.457 1.00 0.00 N ATOM 294 CA ALA A 18 17.111 2.137 -9.230 1.00 0.00 C ATOM 295 C ALA A 18 15.716 1.508 -9.294 1.00 0.00 C ATOM 296 O ALA A 18 15.305 0.807 -8.371 1.00 0.00 O ATOM 297 CB ALA A 18 17.060 3.655 -9.001 1.00 0.00 C ATOM 0 H ALA A 18 18.128 2.719 -10.969 1.00 0.00 H new ATOM 0 HA ALA A 18 17.605 1.670 -8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.492 3.867 -8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.074 4.041 -8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.578 4.135 -9.852 1.00 0.00 H new ATOM 303 N GLU A 19 15.041 1.645 -10.439 1.00 0.00 N ATOM 304 CA GLU A 19 13.796 0.917 -10.708 1.00 0.00 C ATOM 305 C GLU A 19 14.025 -0.601 -10.733 1.00 0.00 C ATOM 306 O GLU A 19 13.252 -1.331 -10.124 1.00 0.00 O ATOM 307 CB GLU A 19 13.165 1.435 -12.008 1.00 0.00 C ATOM 308 CG GLU A 19 11.657 1.149 -12.060 1.00 0.00 C ATOM 309 CD GLU A 19 11.198 0.890 -13.501 1.00 0.00 C ATOM 310 OE1 GLU A 19 11.438 -0.243 -13.981 1.00 0.00 O ATOM 311 OE2 GLU A 19 10.622 1.801 -14.138 1.00 0.00 O ATOM 0 H GLU A 19 15.338 2.257 -11.199 1.00 0.00 H new ATOM 0 HA GLU A 19 13.094 1.102 -9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.335 2.508 -12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.654 0.966 -12.862 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.425 0.283 -11.439 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.108 1.995 -11.646 1.00 0.00 H new ATOM 318 N GLY A 20 15.122 -1.074 -11.333 1.00 0.00 N ATOM 319 CA GLY A 20 15.544 -2.486 -11.332 1.00 0.00 C ATOM 320 C GLY A 20 15.677 -3.108 -9.940 1.00 0.00 C ATOM 321 O GLY A 20 15.116 -4.172 -9.685 1.00 0.00 O ATOM 0 H GLY A 20 15.762 -0.471 -11.849 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.825 -3.067 -11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.502 -2.566 -11.845 1.00 0.00 H new ATOM 325 N PHE A 21 16.349 -2.440 -8.998 1.00 0.00 N ATOM 326 CA PHE A 21 16.426 -2.944 -7.620 1.00 0.00 C ATOM 327 C PHE A 21 15.096 -2.830 -6.894 1.00 0.00 C ATOM 328 O PHE A 21 14.660 -3.790 -6.271 1.00 0.00 O ATOM 329 CB PHE A 21 17.552 -2.238 -6.858 1.00 0.00 C ATOM 330 CG PHE A 21 18.910 -2.734 -7.286 1.00 0.00 C ATOM 331 CD1 PHE A 21 19.260 -4.073 -7.045 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.803 -1.883 -7.951 1.00 0.00 C ATOM 333 CE1 PHE A 21 20.508 -4.563 -7.456 1.00 0.00 C ATOM 334 CE2 PHE A 21 21.048 -2.373 -8.373 1.00 0.00 C ATOM 335 CZ PHE A 21 21.404 -3.714 -8.123 1.00 0.00 C ATOM 0 H PHE A 21 16.842 -1.561 -9.158 1.00 0.00 H new ATOM 0 HA PHE A 21 16.659 -4.008 -7.665 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.487 -1.163 -7.026 1.00 0.00 H new ATOM 0 HB3 PHE A 21 17.425 -2.401 -5.788 1.00 0.00 H new ATOM 0 HD1 PHE A 21 18.565 -4.728 -6.541 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.534 -0.854 -8.138 1.00 0.00 H new ATOM 0 HE1 PHE A 21 20.778 -5.590 -7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.736 -1.721 -8.891 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.365 -4.087 -8.444 1.00 0.00 H new ATOM 345 N ALA A 22 14.407 -1.698 -7.008 1.00 0.00 N ATOM 346 CA ALA A 22 13.146 -1.488 -6.302 1.00 0.00 C ATOM 347 C ALA A 22 12.024 -2.427 -6.782 1.00 0.00 C ATOM 348 O ALA A 22 11.306 -2.972 -5.952 1.00 0.00 O ATOM 349 CB ALA A 22 12.787 -0.007 -6.430 1.00 0.00 C ATOM 0 H ALA A 22 14.702 -0.910 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 22 13.266 -1.745 -5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.847 0.186 -5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.577 0.599 -5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.681 0.252 -7.483 1.00 0.00 H new ATOM 355 N LYS A 23 11.911 -2.716 -8.085 1.00 0.00 N ATOM 356 CA LYS A 23 10.872 -3.631 -8.617 1.00 0.00 C ATOM 357 C LYS A 23 11.075 -5.089 -8.187 1.00 0.00 C ATOM 358 O LYS A 23 10.118 -5.848 -8.077 1.00 0.00 O ATOM 359 CB LYS A 23 10.758 -3.469 -10.144 1.00 0.00 C ATOM 360 CG LYS A 23 11.885 -4.107 -10.974 1.00 0.00 C ATOM 361 CD LYS A 23 12.022 -3.500 -12.384 1.00 0.00 C ATOM 362 CE LYS A 23 10.807 -3.751 -13.290 1.00 0.00 C ATOM 363 NZ LYS A 23 10.860 -2.895 -14.513 1.00 0.00 N ATOM 0 H LYS A 23 12.527 -2.330 -8.801 1.00 0.00 H new ATOM 0 HA LYS A 23 9.918 -3.344 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.809 -3.898 -10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.721 -2.404 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.829 -3.990 -10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.700 -5.177 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.179 -2.425 -12.293 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.911 -3.912 -12.862 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.776 -4.802 -13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.890 -3.545 -12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.084 -3.157 -15.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.763 -1.896 -14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.770 -3.036 -14.996 1.00 0.00 H new ATOM 377 N THR A 24 12.325 -5.444 -7.892 1.00 0.00 N ATOM 378 CA THR A 24 12.739 -6.762 -7.369 1.00 0.00 C ATOM 379 C THR A 24 12.634 -6.854 -5.837 1.00 0.00 C ATOM 380 O THR A 24 11.946 -7.725 -5.311 1.00 0.00 O ATOM 381 CB THR A 24 14.169 -7.103 -7.819 1.00 0.00 C ATOM 382 OG1 THR A 24 14.296 -6.928 -9.212 1.00 0.00 O ATOM 383 CG2 THR A 24 14.545 -8.553 -7.517 1.00 0.00 C ATOM 0 H THR A 24 13.111 -4.805 -8.012 1.00 0.00 H new ATOM 0 HA THR A 24 12.044 -7.491 -7.786 1.00 0.00 H new ATOM 0 HB THR A 24 14.828 -6.434 -7.266 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.570 -6.007 -9.402 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.564 -8.742 -7.854 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.479 -8.730 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.860 -9.222 -8.038 1.00 0.00 H new ATOM 391 N LEU A 25 13.295 -5.943 -5.106 1.00 0.00 N ATOM 392 CA LEU A 25 13.439 -5.968 -3.633 1.00 0.00 C ATOM 393 C LEU A 25 12.219 -5.378 -2.909 1.00 0.00 C ATOM 394 O LEU A 25 11.969 -5.667 -1.740 1.00 0.00 O ATOM 395 CB LEU A 25 14.740 -5.217 -3.245 1.00 0.00 C ATOM 396 CG LEU A 25 16.018 -5.737 -3.937 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.199 -4.875 -3.518 1.00 0.00 C ATOM 398 CD2 LEU A 25 16.332 -7.189 -3.585 1.00 0.00 C ATOM 0 H LEU A 25 13.760 -5.142 -5.532 1.00 0.00 H new ATOM 0 HA LEU A 25 13.501 -7.008 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 25 14.618 -4.161 -3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.874 -5.286 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 25 15.844 -5.684 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.105 -5.238 -4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.018 -3.841 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.322 -4.927 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.241 -7.500 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.476 -7.279 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.503 -7.826 -3.895 1.00 0.00 H new ATOM 410 N GLY A 26 11.457 -4.539 -3.615 1.00 0.00 N ATOM 411 CA GLY A 26 10.191 -3.947 -3.192 1.00 0.00 C ATOM 412 C GLY A 26 8.952 -4.610 -3.797 1.00 0.00 C ATOM 413 O GLY A 26 7.864 -4.069 -3.628 1.00 0.00 O ATOM 0 H GLY A 26 11.725 -4.239 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.123 -4.001 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.190 -2.890 -3.459 1.00 0.00 H new ATOM 417 N ALA A 27 9.080 -5.744 -4.492 1.00 0.00 N ATOM 418 CA ALA A 27 7.952 -6.445 -5.127 1.00 0.00 C ATOM 419 C ALA A 27 6.768 -6.669 -4.154 1.00 0.00 C ATOM 420 O ALA A 27 6.884 -7.403 -3.170 1.00 0.00 O ATOM 421 CB ALA A 27 8.463 -7.783 -5.686 1.00 0.00 C ATOM 0 H ALA A 27 9.977 -6.209 -4.633 1.00 0.00 H new ATOM 0 HA ALA A 27 7.565 -5.821 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.640 -8.317 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.246 -7.595 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.866 -8.387 -4.873 1.00 0.00 H new ATOM 427 N GLY A 28 5.633 -6.003 -4.408 1.00 0.00 N ATOM 428 CA GLY A 28 4.416 -6.067 -3.577 1.00 0.00 C ATOM 429 C GLY A 28 4.419 -5.111 -2.376 1.00 0.00 C ATOM 430 O GLY A 28 3.354 -4.710 -1.907 1.00 0.00 O ATOM 0 H GLY A 28 5.530 -5.389 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.551 -5.843 -4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.292 -7.087 -3.214 1.00 0.00 H new ATOM 434 N LYS A 29 5.603 -4.677 -1.922 1.00 0.00 N ATOM 435 CA LYS A 29 5.785 -3.604 -0.929 1.00 0.00 C ATOM 436 C LYS A 29 5.552 -2.235 -1.555 1.00 0.00 C ATOM 437 O LYS A 29 4.969 -1.363 -0.922 1.00 0.00 O ATOM 438 CB LYS A 29 7.205 -3.674 -0.340 1.00 0.00 C ATOM 439 CG LYS A 29 7.410 -4.879 0.589 1.00 0.00 C ATOM 440 CD LYS A 29 8.815 -5.493 0.497 1.00 0.00 C ATOM 441 CE LYS A 29 9.916 -4.621 1.123 1.00 0.00 C ATOM 442 NZ LYS A 29 11.237 -5.321 1.075 1.00 0.00 N ATOM 0 H LYS A 29 6.487 -5.073 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 29 5.053 -3.745 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.928 -3.723 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.409 -2.757 0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.224 -4.570 1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.672 -5.644 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.810 -6.465 0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.056 -5.669 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.982 -3.672 0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.659 -4.389 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.953 -4.745 1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.157 -6.245 1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.521 -5.460 0.084 1.00 0.00 H new ATOM 456 N ILE A 30 6.004 -2.037 -2.795 1.00 0.00 N ATOM 457 CA ILE A 30 5.927 -0.767 -3.532 1.00 0.00 C ATOM 458 C ILE A 30 5.639 -0.976 -5.026 1.00 0.00 C ATOM 459 O ILE A 30 5.660 -2.097 -5.535 1.00 0.00 O ATOM 460 CB ILE A 30 7.224 0.071 -3.312 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.565 -0.570 -3.721 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.401 0.451 -1.834 1.00 0.00 C ATOM 463 CD1 ILE A 30 8.707 -0.995 -5.183 1.00 0.00 C ATOM 0 H ILE A 30 6.449 -2.779 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 30 5.083 -0.206 -3.131 1.00 0.00 H new ATOM 0 HB ILE A 30 7.040 0.915 -3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.363 0.137 -3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.728 -1.447 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.314 1.034 -1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.547 1.043 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.468 -0.455 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.694 -1.431 -5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.942 -1.733 -5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.587 -0.125 -5.828 1.00 0.00 H new ATOM 475 N ALA A 31 5.376 0.130 -5.726 1.00 0.00 N ATOM 476 CA ALA A 31 5.313 0.201 -7.192 1.00 0.00 C ATOM 477 C ALA A 31 6.263 1.314 -7.672 1.00 0.00 C ATOM 478 O ALA A 31 6.409 2.334 -6.994 1.00 0.00 O ATOM 479 CB ALA A 31 3.864 0.382 -7.660 1.00 0.00 C ATOM 0 H ALA A 31 5.195 1.028 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 31 5.649 -0.733 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.837 0.433 -8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.264 -0.462 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.460 1.305 -7.244 1.00 0.00 H new ATOM 485 N VAL A 32 6.958 1.116 -8.797 1.00 0.00 N ATOM 486 CA VAL A 32 8.046 1.997 -9.231 1.00 0.00 C ATOM 487 C VAL A 32 8.026 2.354 -10.716 1.00 0.00 C ATOM 488 O VAL A 32 7.652 1.544 -11.566 1.00 0.00 O ATOM 489 CB VAL A 32 9.411 1.405 -8.868 1.00 0.00 C ATOM 490 CG1 VAL A 32 9.817 1.916 -7.489 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.533 -0.120 -8.928 1.00 0.00 C ATOM 0 H VAL A 32 6.781 0.339 -9.433 1.00 0.00 H new ATOM 0 HA VAL A 32 7.878 2.928 -8.689 1.00 0.00 H new ATOM 0 HB VAL A 32 10.090 1.747 -9.649 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.788 1.501 -7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.880 3.004 -7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.074 1.608 -6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.545 -0.415 -8.650 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.821 -0.569 -8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.321 -0.462 -9.941 1.00 0.00 H new ATOM 501 N THR A 33 8.510 3.566 -10.999 1.00 0.00 N ATOM 502 CA THR A 33 8.616 4.145 -12.347 1.00 0.00 C ATOM 503 C THR A 33 9.959 4.868 -12.502 1.00 0.00 C ATOM 504 O THR A 33 10.464 5.445 -11.538 1.00 0.00 O ATOM 505 CB THR A 33 7.446 5.118 -12.602 1.00 0.00 C ATOM 506 OG1 THR A 33 6.211 4.530 -12.231 1.00 0.00 O ATOM 507 CG2 THR A 33 7.293 5.510 -14.073 1.00 0.00 C ATOM 0 H THR A 33 8.852 4.196 -10.273 1.00 0.00 H new ATOM 0 HA THR A 33 8.564 3.343 -13.083 1.00 0.00 H new ATOM 0 HB THR A 33 7.684 5.999 -12.006 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.483 5.164 -12.399 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.452 6.195 -14.181 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.205 5.998 -14.416 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.112 4.617 -14.671 1.00 0.00 H new ATOM 515 N SER A 34 10.554 4.857 -13.694 1.00 0.00 N ATOM 516 CA SER A 34 11.791 5.569 -14.015 1.00 0.00 C ATOM 517 C SER A 34 11.572 6.673 -15.059 1.00 0.00 C ATOM 518 O SER A 34 10.881 6.459 -16.057 1.00 0.00 O ATOM 519 CB SER A 34 12.809 4.557 -14.519 1.00 0.00 C ATOM 520 OG SER A 34 14.092 5.128 -14.401 1.00 0.00 O ATOM 0 H SER A 34 10.178 4.337 -14.487 1.00 0.00 H new ATOM 0 HA SER A 34 12.154 6.062 -13.113 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.748 3.636 -13.940 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.603 4.295 -15.557 1.00 0.00 H new ATOM 0 HG SER A 34 14.716 4.655 -14.991 1.00 0.00 H new ATOM 526 N CYS A 35 12.168 7.849 -14.838 1.00 0.00 N ATOM 527 CA CYS A 35 12.118 8.988 -15.755 1.00 0.00 C ATOM 528 C CYS A 35 13.370 9.877 -15.668 1.00 0.00 C ATOM 529 O CYS A 35 14.326 9.595 -14.941 1.00 0.00 O ATOM 530 CB CYS A 35 10.822 9.770 -15.500 1.00 0.00 C ATOM 531 SG CYS A 35 10.911 10.823 -14.032 1.00 0.00 S ATOM 0 H CYS A 35 12.711 8.038 -13.996 1.00 0.00 H new ATOM 0 HA CYS A 35 12.113 8.615 -16.779 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.599 10.387 -16.370 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.996 9.068 -15.387 1.00 0.00 H new ATOM 0 HG CYS A 35 10.385 10.201 -13.019 1.00 0.00 H new ATOM 537 N GLY A 36 13.404 10.966 -16.434 1.00 0.00 N ATOM 538 CA GLY A 36 14.441 11.995 -16.324 1.00 0.00 C ATOM 539 C GLY A 36 13.968 13.348 -16.823 1.00 0.00 C ATOM 540 O GLY A 36 12.953 13.426 -17.508 1.00 0.00 O ATOM 0 H GLY A 36 12.709 11.162 -17.154 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.753 12.083 -15.283 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.317 11.686 -16.894 1.00 0.00 H new ATOM 544 N LEU A 37 14.699 14.425 -16.524 1.00 0.00 N ATOM 545 CA LEU A 37 14.368 15.751 -17.085 1.00 0.00 C ATOM 546 C LEU A 37 14.589 15.840 -18.612 1.00 0.00 C ATOM 547 O LEU A 37 14.109 16.761 -19.273 1.00 0.00 O ATOM 548 CB LEU A 37 15.016 16.905 -16.307 1.00 0.00 C ATOM 549 CG LEU A 37 16.541 16.799 -16.125 1.00 0.00 C ATOM 550 CD1 LEU A 37 17.189 18.181 -16.114 1.00 0.00 C ATOM 551 CD2 LEU A 37 16.864 16.128 -14.790 1.00 0.00 C ATOM 0 H LEU A 37 15.512 14.414 -15.908 1.00 0.00 H new ATOM 0 HA LEU A 37 13.294 15.871 -16.947 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.792 17.840 -16.821 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.552 16.964 -15.322 1.00 0.00 H new ATOM 0 HG LEU A 37 16.929 16.214 -16.959 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.266 18.077 -15.984 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.985 18.686 -17.058 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.780 18.768 -15.292 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.945 16.058 -14.670 1.00 0.00 H new ATOM 0 HD22 LEU A 37 16.447 16.719 -13.975 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.431 15.128 -14.771 1.00 0.00 H new ATOM 563 N GLU A 38 15.267 14.835 -19.158 1.00 0.00 N ATOM 564 CA GLU A 38 15.440 14.535 -20.582 1.00 0.00 C ATOM 565 C GLU A 38 15.263 13.010 -20.769 1.00 0.00 C ATOM 566 O GLU A 38 15.292 12.256 -19.790 1.00 0.00 O ATOM 567 CB GLU A 38 16.825 14.994 -21.095 1.00 0.00 C ATOM 568 CG GLU A 38 17.205 16.445 -20.764 1.00 0.00 C ATOM 569 CD GLU A 38 18.636 16.761 -21.241 1.00 0.00 C ATOM 570 OE1 GLU A 38 18.820 17.141 -22.425 1.00 0.00 O ATOM 571 OE2 GLU A 38 19.592 16.647 -20.433 1.00 0.00 O ATOM 0 H GLU A 38 15.749 14.153 -18.572 1.00 0.00 H new ATOM 0 HA GLU A 38 14.696 15.079 -21.164 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.585 14.333 -20.677 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.852 14.867 -22.177 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.500 17.127 -21.239 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.131 16.608 -19.689 1.00 0.00 H new ATOM 578 N SER A 39 15.110 12.532 -22.006 1.00 0.00 N ATOM 579 CA SER A 39 14.947 11.097 -22.298 1.00 0.00 C ATOM 580 C SER A 39 15.793 10.633 -23.490 1.00 0.00 C ATOM 581 O SER A 39 15.613 11.085 -24.623 1.00 0.00 O ATOM 582 CB SER A 39 13.461 10.750 -22.486 1.00 0.00 C ATOM 583 OG SER A 39 12.796 11.633 -23.382 1.00 0.00 O ATOM 0 H SER A 39 15.095 13.124 -22.836 1.00 0.00 H new ATOM 0 HA SER A 39 15.322 10.548 -21.434 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.376 9.729 -22.859 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.961 10.778 -21.518 1.00 0.00 H new ATOM 0 HG SER A 39 11.979 11.206 -23.716 1.00 0.00 H new ATOM 589 N SER A 40 16.715 9.708 -23.220 1.00 0.00 N ATOM 590 CA SER A 40 17.496 8.953 -24.203 1.00 0.00 C ATOM 591 C SER A 40 17.676 7.500 -23.732 1.00 0.00 C ATOM 592 O SER A 40 17.768 7.242 -22.530 1.00 0.00 O ATOM 593 CB SER A 40 18.852 9.623 -24.439 1.00 0.00 C ATOM 594 OG SER A 40 19.468 9.066 -25.591 1.00 0.00 O ATOM 0 H SER A 40 16.950 9.451 -22.261 1.00 0.00 H new ATOM 0 HA SER A 40 16.956 8.943 -25.150 1.00 0.00 H new ATOM 0 HB2 SER A 40 18.720 10.697 -24.569 1.00 0.00 H new ATOM 0 HB3 SER A 40 19.493 9.484 -23.569 1.00 0.00 H new ATOM 0 HG SER A 40 19.902 9.778 -26.106 1.00 0.00 H new ATOM 600 N ARG A 41 17.707 6.564 -24.692 1.00 0.00 N ATOM 601 CA ARG A 41 17.757 5.094 -24.568 1.00 0.00 C ATOM 602 C ARG A 41 18.496 4.557 -23.340 1.00 0.00 C ATOM 603 O ARG A 41 19.566 5.047 -22.982 1.00 0.00 O ATOM 604 CB ARG A 41 18.351 4.499 -25.871 1.00 0.00 C ATOM 605 CG ARG A 41 19.878 4.622 -26.085 1.00 0.00 C ATOM 606 CD ARG A 41 20.438 6.052 -26.032 1.00 0.00 C ATOM 607 NE ARG A 41 21.876 6.080 -26.369 1.00 0.00 N ATOM 608 CZ ARG A 41 22.665 7.139 -26.350 1.00 0.00 C ATOM 609 NH1 ARG A 41 22.231 8.326 -26.033 1.00 0.00 N ATOM 610 NH2 ARG A 41 23.925 7.024 -26.657 1.00 0.00 N ATOM 0 H ARG A 41 17.697 6.842 -25.673 1.00 0.00 H new ATOM 0 HA ARG A 41 16.727 4.771 -24.417 1.00 0.00 H new ATOM 0 HB2 ARG A 41 18.091 3.441 -25.906 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.854 4.977 -26.715 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.383 4.024 -25.327 1.00 0.00 H new ATOM 0 HG3 ARG A 41 20.128 4.188 -27.053 1.00 0.00 H new ATOM 0 HD2 ARG A 41 19.887 6.686 -26.727 1.00 0.00 H new ATOM 0 HD3 ARG A 41 20.288 6.466 -25.035 1.00 0.00 H new ATOM 0 HE ARG A 41 22.301 5.194 -26.643 1.00 0.00 H new ATOM 0 HH11 ARG A 41 21.250 8.462 -25.788 1.00 0.00 H new ATOM 0 HH12 ARG A 41 22.872 9.119 -26.030 1.00 0.00 H new ATOM 0 HH21 ARG A 41 24.306 6.113 -26.914 1.00 0.00 H new ATOM 0 HH22 ARG A 41 24.531 7.844 -26.641 1.00 0.00 H new ATOM 624 N VAL A 42 17.959 3.489 -22.741 1.00 0.00 N ATOM 625 CA VAL A 42 18.659 2.781 -21.646 1.00 0.00 C ATOM 626 C VAL A 42 20.050 2.367 -22.113 1.00 0.00 C ATOM 627 O VAL A 42 20.198 1.785 -23.189 1.00 0.00 O ATOM 628 CB VAL A 42 17.927 1.542 -21.088 1.00 0.00 C ATOM 629 CG1 VAL A 42 18.525 1.154 -19.730 1.00 0.00 C ATOM 630 CG2 VAL A 42 16.448 1.808 -20.864 1.00 0.00 C ATOM 0 H VAL A 42 17.052 3.093 -22.987 1.00 0.00 H new ATOM 0 HA VAL A 42 18.701 3.496 -20.824 1.00 0.00 H new ATOM 0 HB VAL A 42 18.047 0.747 -21.824 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.005 0.279 -19.340 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.583 0.923 -19.851 1.00 0.00 H new ATOM 0 HG13 VAL A 42 18.412 1.984 -19.032 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.972 0.910 -20.471 1.00 0.00 H new ATOM 0 HG22 VAL A 42 16.329 2.623 -20.151 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.980 2.082 -21.810 1.00 0.00 H new ATOM 640 N HIS A 43 21.067 2.673 -21.308 1.00 0.00 N ATOM 641 CA HIS A 43 22.443 2.304 -21.609 1.00 0.00 C ATOM 642 C HIS A 43 22.532 0.779 -21.574 1.00 0.00 C ATOM 643 O HIS A 43 22.163 0.184 -20.558 1.00 0.00 O ATOM 644 CB HIS A 43 23.381 2.978 -20.603 1.00 0.00 C ATOM 645 CG HIS A 43 24.794 3.015 -21.096 1.00 0.00 C ATOM 646 ND1 HIS A 43 25.675 1.932 -21.135 1.00 0.00 N ATOM 647 CD2 HIS A 43 25.414 4.122 -21.582 1.00 0.00 C ATOM 648 CE1 HIS A 43 26.832 2.434 -21.609 1.00 0.00 C ATOM 649 NE2 HIS A 43 26.692 3.736 -21.905 1.00 0.00 N ATOM 0 H HIS A 43 20.957 3.183 -20.431 1.00 0.00 H new ATOM 0 HA HIS A 43 22.749 2.644 -22.598 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.037 3.994 -20.410 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.341 2.443 -19.654 1.00 0.00 H new ATOM 0 HD2 HIS A 43 24.987 5.108 -21.692 1.00 0.00 H new ATOM 0 HE1 HIS A 43 27.744 1.869 -21.733 1.00 0.00 H new ATOM 0 HE2 HIS A 43 27.413 4.337 -22.303 1.00 0.00 H new ATOM 657 N PRO A 44 22.984 0.105 -22.641 1.00 0.00 N ATOM 658 CA PRO A 44 22.849 -1.344 -22.707 1.00 0.00 C ATOM 659 C PRO A 44 23.769 -2.056 -21.698 1.00 0.00 C ATOM 660 O PRO A 44 23.460 -3.156 -21.244 1.00 0.00 O ATOM 661 CB PRO A 44 23.178 -1.686 -24.164 1.00 0.00 C ATOM 662 CG PRO A 44 24.155 -0.587 -24.586 1.00 0.00 C ATOM 663 CD PRO A 44 23.625 0.635 -23.838 1.00 0.00 C ATOM 0 HA PRO A 44 21.851 -1.685 -22.431 1.00 0.00 H new ATOM 0 HB2 PRO A 44 23.627 -2.675 -24.251 1.00 0.00 H new ATOM 0 HB3 PRO A 44 22.283 -1.686 -24.787 1.00 0.00 H new ATOM 0 HG2 PRO A 44 25.180 -0.824 -24.300 1.00 0.00 H new ATOM 0 HG3 PRO A 44 24.152 -0.434 -25.665 1.00 0.00 H new ATOM 0 HD2 PRO A 44 24.433 1.320 -23.581 1.00 0.00 H new ATOM 0 HD3 PRO A 44 22.916 1.193 -24.449 1.00 0.00 H new ATOM 671 N THR A 45 24.848 -1.402 -21.250 1.00 0.00 N ATOM 672 CA THR A 45 25.696 -1.908 -20.159 1.00 0.00 C ATOM 673 C THR A 45 24.962 -1.896 -18.814 1.00 0.00 C ATOM 674 O THR A 45 25.199 -2.774 -17.993 1.00 0.00 O ATOM 675 CB THR A 45 27.027 -1.139 -20.087 1.00 0.00 C ATOM 676 OG1 THR A 45 27.669 -1.210 -21.348 1.00 0.00 O ATOM 677 CG2 THR A 45 27.991 -1.726 -19.055 1.00 0.00 C ATOM 0 H THR A 45 25.159 -0.509 -21.632 1.00 0.00 H new ATOM 0 HA THR A 45 25.929 -2.949 -20.383 1.00 0.00 H new ATOM 0 HB THR A 45 26.787 -0.115 -19.800 1.00 0.00 H new ATOM 0 HG1 THR A 45 28.517 -0.721 -21.311 1.00 0.00 H new ATOM 0 HG21 THR A 45 28.913 -1.145 -19.047 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.532 -1.692 -18.067 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.216 -2.760 -19.315 1.00 0.00 H new ATOM 685 N ALA A 46 23.985 -1.006 -18.593 1.00 0.00 N ATOM 686 CA ALA A 46 23.152 -1.046 -17.386 1.00 0.00 C ATOM 687 C ALA A 46 22.322 -2.337 -17.307 1.00 0.00 C ATOM 688 O ALA A 46 22.277 -2.965 -16.254 1.00 0.00 O ATOM 689 CB ALA A 46 22.252 0.192 -17.362 1.00 0.00 C ATOM 0 H ALA A 46 23.753 -0.249 -19.236 1.00 0.00 H new ATOM 0 HA ALA A 46 23.801 -1.041 -16.510 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.629 0.171 -16.468 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.869 1.090 -17.353 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.616 0.197 -18.247 1.00 0.00 H new ATOM 695 N ILE A 47 21.744 -2.793 -18.428 1.00 0.00 N ATOM 696 CA ILE A 47 21.077 -4.110 -18.512 1.00 0.00 C ATOM 697 C ILE A 47 22.082 -5.195 -18.095 1.00 0.00 C ATOM 698 O ILE A 47 21.789 -5.999 -17.214 1.00 0.00 O ATOM 699 CB ILE A 47 20.531 -4.395 -19.940 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.288 -3.579 -20.346 1.00 0.00 C ATOM 701 CG2 ILE A 47 20.129 -5.875 -20.103 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.417 -2.055 -20.319 1.00 0.00 C ATOM 0 H ILE A 47 21.723 -2.265 -19.301 1.00 0.00 H new ATOM 0 HA ILE A 47 20.219 -4.111 -17.840 1.00 0.00 H new ATOM 0 HB ILE A 47 21.365 -4.107 -20.580 1.00 0.00 H new ATOM 0 HG12 ILE A 47 19.002 -3.877 -21.355 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.468 -3.861 -19.686 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.752 -6.040 -21.112 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.999 -6.509 -19.932 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.352 -6.123 -19.380 1.00 0.00 H new ATOM 0 HD11 ILE A 47 18.473 -1.604 -20.626 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.664 -1.729 -19.309 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.207 -1.745 -21.003 1.00 0.00 H new ATOM 714 N ALA A 48 23.290 -5.167 -18.662 1.00 0.00 N ATOM 715 CA ALA A 48 24.312 -6.178 -18.388 1.00 0.00 C ATOM 716 C ALA A 48 24.757 -6.201 -16.913 1.00 0.00 C ATOM 717 O ALA A 48 24.981 -7.271 -16.348 1.00 0.00 O ATOM 718 CB ALA A 48 25.503 -5.939 -19.316 1.00 0.00 C ATOM 0 H ALA A 48 23.586 -4.447 -19.321 1.00 0.00 H new ATOM 0 HA ALA A 48 23.877 -7.159 -18.580 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.272 -6.687 -19.121 1.00 0.00 H new ATOM 0 HB2 ALA A 48 25.177 -6.015 -20.353 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.911 -4.944 -19.136 1.00 0.00 H new ATOM 724 N MET A 49 24.835 -5.035 -16.266 1.00 0.00 N ATOM 725 CA MET A 49 25.229 -4.904 -14.862 1.00 0.00 C ATOM 726 C MET A 49 24.097 -5.312 -13.916 1.00 0.00 C ATOM 727 O MET A 49 24.387 -5.832 -12.842 1.00 0.00 O ATOM 728 CB MET A 49 25.736 -3.482 -14.589 1.00 0.00 C ATOM 729 CG MET A 49 26.927 -3.111 -15.481 1.00 0.00 C ATOM 730 SD MET A 49 28.564 -3.471 -14.785 1.00 0.00 S ATOM 731 CE MET A 49 28.872 -5.124 -15.440 1.00 0.00 C ATOM 0 H MET A 49 24.623 -4.142 -16.711 1.00 0.00 H new ATOM 0 HA MET A 49 26.049 -5.594 -14.665 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.926 -2.771 -14.753 1.00 0.00 H new ATOM 0 HB3 MET A 49 26.028 -3.397 -13.542 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.829 -3.642 -16.428 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.873 -2.046 -15.706 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.897 -5.419 -15.216 1.00 0.00 H new ATOM 0 HE2 MET A 49 28.182 -5.832 -14.981 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.723 -5.121 -16.520 1.00 0.00 H new ATOM 741 N MET A 50 22.831 -5.147 -14.307 1.00 0.00 N ATOM 742 CA MET A 50 21.697 -5.710 -13.567 1.00 0.00 C ATOM 743 C MET A 50 21.578 -7.230 -13.774 1.00 0.00 C ATOM 744 O MET A 50 21.214 -7.948 -12.841 1.00 0.00 O ATOM 745 CB MET A 50 20.395 -4.989 -13.953 1.00 0.00 C ATOM 746 CG MET A 50 20.396 -3.507 -13.552 1.00 0.00 C ATOM 747 SD MET A 50 20.784 -3.124 -11.818 1.00 0.00 S ATOM 748 CE MET A 50 19.530 -4.120 -10.985 1.00 0.00 C ATOM 0 H MET A 50 22.563 -4.623 -15.140 1.00 0.00 H new ATOM 0 HA MET A 50 21.877 -5.549 -12.504 1.00 0.00 H new ATOM 0 HB2 MET A 50 20.246 -5.070 -15.030 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.552 -5.490 -13.476 1.00 0.00 H new ATOM 0 HG2 MET A 50 21.115 -2.985 -14.184 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.413 -3.094 -13.779 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.127 -3.564 -10.138 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.726 -4.351 -11.683 1.00 0.00 H new ATOM 0 HE3 MET A 50 19.979 -5.047 -10.629 1.00 0.00 H new ATOM 758 N GLU A 51 21.981 -7.765 -14.931 1.00 0.00 N ATOM 759 CA GLU A 51 22.002 -9.216 -15.149 1.00 0.00 C ATOM 760 C GLU A 51 23.043 -9.939 -14.273 1.00 0.00 C ATOM 761 O GLU A 51 22.827 -11.101 -13.925 1.00 0.00 O ATOM 762 CB GLU A 51 22.225 -9.556 -16.632 1.00 0.00 C ATOM 763 CG GLU A 51 20.971 -9.339 -17.490 1.00 0.00 C ATOM 764 CD GLU A 51 21.207 -9.833 -18.932 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.979 -9.197 -19.690 1.00 0.00 O ATOM 766 OE2 GLU A 51 20.624 -10.877 -19.317 1.00 0.00 O ATOM 0 H GLU A 51 22.297 -7.216 -15.731 1.00 0.00 H new ATOM 0 HA GLU A 51 21.020 -9.580 -14.848 1.00 0.00 H new ATOM 0 HB2 GLU A 51 23.037 -8.942 -17.022 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.542 -10.595 -16.717 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.127 -9.871 -17.051 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.710 -8.281 -17.501 1.00 0.00 H new ATOM 773 N GLU A 52 24.120 -9.273 -13.827 1.00 0.00 N ATOM 774 CA GLU A 52 25.081 -9.879 -12.880 1.00 0.00 C ATOM 775 C GLU A 52 24.442 -10.231 -11.523 1.00 0.00 C ATOM 776 O GLU A 52 24.879 -11.167 -10.853 1.00 0.00 O ATOM 777 CB GLU A 52 26.269 -8.949 -12.597 1.00 0.00 C ATOM 778 CG GLU A 52 27.059 -8.510 -13.832 1.00 0.00 C ATOM 779 CD GLU A 52 28.461 -8.026 -13.440 1.00 0.00 C ATOM 780 OE1 GLU A 52 28.577 -7.102 -12.598 1.00 0.00 O ATOM 781 OE2 GLU A 52 29.459 -8.543 -13.991 1.00 0.00 O ATOM 0 H GLU A 52 24.350 -8.318 -14.103 1.00 0.00 H new ATOM 0 HA GLU A 52 25.418 -10.791 -13.372 1.00 0.00 H new ATOM 0 HB2 GLU A 52 25.900 -8.060 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 52 26.949 -9.453 -11.910 1.00 0.00 H new ATOM 0 HG2 GLU A 52 27.139 -9.342 -14.532 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.524 -7.711 -14.346 1.00 0.00 H new ATOM 788 N VAL A 53 23.394 -9.493 -11.130 1.00 0.00 N ATOM 789 CA VAL A 53 22.597 -9.713 -9.905 1.00 0.00 C ATOM 790 C VAL A 53 21.251 -10.405 -10.193 1.00 0.00 C ATOM 791 O VAL A 53 20.398 -10.508 -9.309 1.00 0.00 O ATOM 792 CB VAL A 53 22.450 -8.413 -9.087 1.00 0.00 C ATOM 793 CG1 VAL A 53 23.815 -7.906 -8.600 1.00 0.00 C ATOM 794 CG2 VAL A 53 21.786 -7.279 -9.872 1.00 0.00 C ATOM 0 H VAL A 53 23.062 -8.696 -11.673 1.00 0.00 H new ATOM 0 HA VAL A 53 23.151 -10.412 -9.279 1.00 0.00 H new ATOM 0 HB VAL A 53 21.811 -8.678 -8.245 1.00 0.00 H new ATOM 0 HG11 VAL A 53 23.679 -6.989 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 53 24.280 -8.663 -7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 53 24.456 -7.706 -9.458 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.713 -6.394 -9.240 1.00 0.00 H new ATOM 0 HG22 VAL A 53 22.384 -7.047 -10.753 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.788 -7.587 -10.182 1.00 0.00 H new ATOM 804 N GLY A 54 21.059 -10.903 -11.424 1.00 0.00 N ATOM 805 CA GLY A 54 19.872 -11.654 -11.853 1.00 0.00 C ATOM 806 C GLY A 54 18.593 -10.820 -12.034 1.00 0.00 C ATOM 807 O GLY A 54 17.493 -11.369 -11.954 1.00 0.00 O ATOM 0 H GLY A 54 21.746 -10.790 -12.169 1.00 0.00 H new ATOM 0 HA2 GLY A 54 20.098 -12.150 -12.797 1.00 0.00 H new ATOM 0 HA3 GLY A 54 19.674 -12.437 -11.121 1.00 0.00 H new ATOM 811 N ILE A 55 18.726 -9.508 -12.259 1.00 0.00 N ATOM 812 CA ILE A 55 17.616 -8.553 -12.418 1.00 0.00 C ATOM 813 C ILE A 55 17.525 -8.090 -13.879 1.00 0.00 C ATOM 814 O ILE A 55 18.541 -7.869 -14.539 1.00 0.00 O ATOM 815 CB ILE A 55 17.788 -7.385 -11.419 1.00 0.00 C ATOM 816 CG1 ILE A 55 17.666 -7.902 -9.965 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.770 -6.263 -11.678 1.00 0.00 C ATOM 818 CD1 ILE A 55 17.858 -6.844 -8.867 1.00 0.00 C ATOM 0 H ILE A 55 19.640 -9.063 -12.339 1.00 0.00 H new ATOM 0 HA ILE A 55 16.666 -9.034 -12.185 1.00 0.00 H new ATOM 0 HB ILE A 55 18.783 -6.966 -11.565 1.00 0.00 H new ATOM 0 HG12 ILE A 55 16.682 -8.355 -9.841 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.402 -8.692 -9.816 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.922 -5.460 -10.957 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.906 -5.874 -12.687 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.759 -6.658 -11.574 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.752 -7.312 -7.888 1.00 0.00 H new ATOM 0 HD12 ILE A 55 18.852 -6.406 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 55 17.106 -6.063 -8.979 1.00 0.00 H new ATOM 830 N ASP A 56 16.302 -7.913 -14.386 1.00 0.00 N ATOM 831 CA ASP A 56 16.037 -7.556 -15.784 1.00 0.00 C ATOM 832 C ASP A 56 15.474 -6.132 -15.942 1.00 0.00 C ATOM 833 O ASP A 56 14.406 -5.815 -15.413 1.00 0.00 O ATOM 834 CB ASP A 56 15.100 -8.603 -16.407 1.00 0.00 C ATOM 835 CG ASP A 56 14.713 -8.263 -17.858 1.00 0.00 C ATOM 836 OD1 ASP A 56 15.538 -7.654 -18.581 1.00 0.00 O ATOM 837 OD2 ASP A 56 13.580 -8.595 -18.275 1.00 0.00 O ATOM 0 H ASP A 56 15.454 -8.015 -13.828 1.00 0.00 H new ATOM 0 HA ASP A 56 16.988 -7.557 -16.317 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.585 -9.579 -16.383 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.196 -8.682 -15.803 1.00 0.00 H new ATOM 842 N ILE A 57 16.186 -5.297 -16.713 1.00 0.00 N ATOM 843 CA ILE A 57 15.727 -3.977 -17.186 1.00 0.00 C ATOM 844 C ILE A 57 15.840 -3.844 -18.723 1.00 0.00 C ATOM 845 O ILE A 57 15.954 -2.741 -19.254 1.00 0.00 O ATOM 846 CB ILE A 57 16.391 -2.803 -16.423 1.00 0.00 C ATOM 847 CG1 ILE A 57 17.915 -2.728 -16.643 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.074 -2.837 -14.915 1.00 0.00 C ATOM 849 CD1 ILE A 57 18.439 -1.291 -16.517 1.00 0.00 C ATOM 0 H ILE A 57 17.126 -5.526 -17.036 1.00 0.00 H new ATOM 0 HA ILE A 57 14.665 -3.910 -16.950 1.00 0.00 H new ATOM 0 HB ILE A 57 15.953 -1.900 -16.847 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.419 -3.364 -15.915 1.00 0.00 H new ATOM 0 HG13 ILE A 57 18.159 -3.119 -17.631 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.560 -1.995 -14.422 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.996 -2.770 -14.768 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.441 -3.770 -14.487 1.00 0.00 H new ATOM 0 HD11 ILE A 57 19.517 -1.281 -16.679 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.954 -0.660 -17.262 1.00 0.00 H new ATOM 0 HD13 ILE A 57 18.218 -0.909 -15.520 1.00 0.00 H new ATOM 861 N SER A 58 15.848 -4.962 -19.458 1.00 0.00 N ATOM 862 CA SER A 58 15.932 -4.981 -20.934 1.00 0.00 C ATOM 863 C SER A 58 14.600 -4.658 -21.625 1.00 0.00 C ATOM 864 O SER A 58 14.589 -4.152 -22.748 1.00 0.00 O ATOM 865 CB SER A 58 16.475 -6.333 -21.421 1.00 0.00 C ATOM 866 OG SER A 58 15.580 -7.395 -21.149 1.00 0.00 O ATOM 0 H SER A 58 15.796 -5.893 -19.045 1.00 0.00 H new ATOM 0 HA SER A 58 16.623 -4.186 -21.214 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.662 -6.283 -22.494 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.432 -6.534 -20.939 1.00 0.00 H new ATOM 0 HG SER A 58 15.777 -7.771 -20.266 1.00 0.00 H new ATOM 872 N GLY A 59 13.476 -4.897 -20.943 1.00 0.00 N ATOM 873 CA GLY A 59 12.116 -4.640 -21.430 1.00 0.00 C ATOM 874 C GLY A 59 11.599 -3.213 -21.207 1.00 0.00 C ATOM 875 O GLY A 59 10.392 -2.996 -21.323 1.00 0.00 O ATOM 0 H GLY A 59 13.488 -5.289 -20.002 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.083 -4.858 -22.497 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.435 -5.336 -20.941 1.00 0.00 H new ATOM 879 N GLN A 60 12.465 -2.250 -20.850 1.00 0.00 N ATOM 880 CA GLN A 60 12.080 -0.857 -20.572 1.00 0.00 C ATOM 881 C GLN A 60 12.916 0.146 -21.380 1.00 0.00 C ATOM 882 O GLN A 60 13.961 -0.182 -21.943 1.00 0.00 O ATOM 883 CB GLN A 60 12.064 -0.596 -19.052 1.00 0.00 C ATOM 884 CG GLN A 60 13.399 -0.846 -18.331 1.00 0.00 C ATOM 885 CD GLN A 60 13.192 -0.982 -16.828 1.00 0.00 C ATOM 886 OE1 GLN A 60 12.834 -2.042 -16.333 1.00 0.00 O ATOM 887 NE2 GLN A 60 13.367 0.054 -16.046 1.00 0.00 N ATOM 0 H GLN A 60 13.465 -2.420 -20.745 1.00 0.00 H new ATOM 0 HA GLN A 60 11.059 -0.698 -20.919 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.765 0.438 -18.880 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.301 -1.228 -18.599 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.863 -1.752 -18.721 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.085 -0.024 -18.534 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.665 0.946 -16.440 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.205 -0.031 -15.043 1.00 0.00 H new ATOM 896 N THR A 61 12.422 1.379 -21.458 1.00 0.00 N ATOM 897 CA THR A 61 12.888 2.471 -22.316 1.00 0.00 C ATOM 898 C THR A 61 12.901 3.757 -21.487 1.00 0.00 C ATOM 899 O THR A 61 12.443 3.784 -20.340 1.00 0.00 O ATOM 900 CB THR A 61 11.976 2.627 -23.555 1.00 0.00 C ATOM 901 OG1 THR A 61 10.624 2.748 -23.164 1.00 0.00 O ATOM 902 CG2 THR A 61 12.081 1.429 -24.502 1.00 0.00 C ATOM 0 H THR A 61 11.629 1.664 -20.883 1.00 0.00 H new ATOM 0 HA THR A 61 13.892 2.252 -22.680 1.00 0.00 H new ATOM 0 HB THR A 61 12.312 3.526 -24.072 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.061 2.848 -23.960 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.423 1.583 -25.357 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.110 1.328 -24.849 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.785 0.522 -23.975 1.00 0.00 H new ATOM 910 N SER A 62 13.480 4.830 -22.027 1.00 0.00 N ATOM 911 CA SER A 62 13.501 6.119 -21.334 1.00 0.00 C ATOM 912 C SER A 62 12.238 6.960 -21.561 1.00 0.00 C ATOM 913 O SER A 62 11.640 6.922 -22.641 1.00 0.00 O ATOM 914 CB SER A 62 14.772 6.865 -21.688 1.00 0.00 C ATOM 915 OG SER A 62 14.663 7.507 -22.946 1.00 0.00 O ATOM 0 H SER A 62 13.939 4.833 -22.938 1.00 0.00 H new ATOM 0 HA SER A 62 13.500 5.919 -20.263 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.987 7.606 -20.918 1.00 0.00 H new ATOM 0 HB3 SER A 62 15.611 6.169 -21.705 1.00 0.00 H new ATOM 0 HG SER A 62 14.968 6.899 -23.651 1.00 0.00 H new ATOM 921 N ASP A 63 11.845 7.739 -20.550 1.00 0.00 N ATOM 922 CA ASP A 63 10.690 8.651 -20.613 1.00 0.00 C ATOM 923 C ASP A 63 10.916 9.978 -19.844 1.00 0.00 C ATOM 924 O ASP A 63 11.575 9.979 -18.798 1.00 0.00 O ATOM 925 CB ASP A 63 9.421 7.958 -20.099 1.00 0.00 C ATOM 926 CG ASP A 63 8.814 6.996 -21.133 1.00 0.00 C ATOM 927 OD1 ASP A 63 8.274 7.481 -22.159 1.00 0.00 O ATOM 928 OD2 ASP A 63 8.816 5.763 -20.898 1.00 0.00 O ATOM 0 H ASP A 63 12.324 7.757 -19.650 1.00 0.00 H new ATOM 0 HA ASP A 63 10.566 8.909 -21.665 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.656 7.406 -19.189 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.681 8.713 -19.832 1.00 0.00 H new ATOM 933 N PRO A 64 10.371 11.116 -20.327 1.00 0.00 N ATOM 934 CA PRO A 64 10.631 12.438 -19.758 1.00 0.00 C ATOM 935 C PRO A 64 9.692 12.799 -18.595 1.00 0.00 C ATOM 936 O PRO A 64 8.501 12.485 -18.609 1.00 0.00 O ATOM 937 CB PRO A 64 10.473 13.406 -20.936 1.00 0.00 C ATOM 938 CG PRO A 64 9.371 12.752 -21.766 1.00 0.00 C ATOM 939 CD PRO A 64 9.636 11.257 -21.580 1.00 0.00 C ATOM 0 HA PRO A 64 11.624 12.480 -19.311 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.190 14.405 -20.604 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.399 13.509 -21.502 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.379 13.033 -21.411 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.429 13.044 -22.815 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.700 10.699 -21.545 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.213 10.859 -22.415 1.00 0.00 H new ATOM 947 N ILE A 65 10.211 13.560 -17.629 1.00 0.00 N ATOM 948 CA ILE A 65 9.516 14.080 -16.438 1.00 0.00 C ATOM 949 C ILE A 65 8.250 14.875 -16.814 1.00 0.00 C ATOM 950 O ILE A 65 7.228 14.788 -16.140 1.00 0.00 O ATOM 951 CB ILE A 65 10.537 14.929 -15.632 1.00 0.00 C ATOM 952 CG1 ILE A 65 10.101 15.066 -14.172 1.00 0.00 C ATOM 953 CG2 ILE A 65 10.812 16.319 -16.246 1.00 0.00 C ATOM 954 CD1 ILE A 65 11.119 15.807 -13.298 1.00 0.00 C ATOM 0 H ILE A 65 11.188 13.851 -17.654 1.00 0.00 H new ATOM 0 HA ILE A 65 9.159 13.257 -15.819 1.00 0.00 H new ATOM 0 HB ILE A 65 11.479 14.383 -15.679 1.00 0.00 H new ATOM 0 HG12 ILE A 65 9.148 15.594 -14.133 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.932 14.073 -13.757 1.00 0.00 H new ATOM 0 HG21 ILE A 65 11.534 16.853 -15.628 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.213 16.199 -17.252 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.883 16.887 -16.291 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.745 15.868 -12.276 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.066 15.268 -13.307 1.00 0.00 H new ATOM 0 HD13 ILE A 65 11.270 16.813 -13.689 1.00 0.00 H new ATOM 966 N GLU A 66 8.297 15.577 -17.951 1.00 0.00 N ATOM 967 CA GLU A 66 7.204 16.406 -18.491 1.00 0.00 C ATOM 968 C GLU A 66 5.899 15.627 -18.766 1.00 0.00 C ATOM 969 O GLU A 66 4.817 16.218 -18.732 1.00 0.00 O ATOM 970 CB GLU A 66 7.677 17.070 -19.798 1.00 0.00 C ATOM 971 CG GLU A 66 8.818 18.084 -19.625 1.00 0.00 C ATOM 972 CD GLU A 66 8.347 19.351 -18.878 1.00 0.00 C ATOM 973 OE1 GLU A 66 7.762 20.254 -19.525 1.00 0.00 O ATOM 974 OE2 GLU A 66 8.554 19.452 -17.646 1.00 0.00 O ATOM 0 H GLU A 66 9.126 15.587 -18.545 1.00 0.00 H new ATOM 0 HA GLU A 66 6.968 17.144 -17.724 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.002 16.292 -20.488 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.829 17.573 -20.262 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.637 17.620 -19.075 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.209 18.363 -20.604 1.00 0.00 H new ATOM 981 N ASN A 67 5.975 14.313 -19.032 1.00 0.00 N ATOM 982 CA ASN A 67 4.796 13.468 -19.293 1.00 0.00 C ATOM 983 C ASN A 67 4.189 12.834 -18.016 1.00 0.00 C ATOM 984 O ASN A 67 3.081 12.295 -18.067 1.00 0.00 O ATOM 985 CB ASN A 67 5.131 12.429 -20.390 1.00 0.00 C ATOM 986 CG ASN A 67 5.290 11.005 -19.873 1.00 0.00 C ATOM 987 OD1 ASN A 67 4.467 10.132 -20.110 1.00 0.00 O ATOM 988 ND2 ASN A 67 6.327 10.732 -19.120 1.00 0.00 N ATOM 0 H ASN A 67 6.858 13.804 -19.072 1.00 0.00 H new ATOM 0 HA ASN A 67 4.001 14.114 -19.665 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.343 12.445 -21.142 1.00 0.00 H new ATOM 0 HB3 ASN A 67 6.053 12.728 -20.888 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.445 9.795 -18.735 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.016 11.456 -18.919 1.00 0.00 H new ATOM 995 N PHE A 68 4.909 12.877 -16.887 1.00 0.00 N ATOM 996 CA PHE A 68 4.583 12.150 -15.656 1.00 0.00 C ATOM 997 C PHE A 68 3.853 13.011 -14.609 1.00 0.00 C ATOM 998 O PHE A 68 3.713 14.228 -14.751 1.00 0.00 O ATOM 999 CB PHE A 68 5.870 11.504 -15.122 1.00 0.00 C ATOM 1000 CG PHE A 68 6.327 10.271 -15.881 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.470 9.163 -16.031 1.00 0.00 C ATOM 1002 CD2 PHE A 68 7.627 10.214 -16.415 1.00 0.00 C ATOM 1003 CE1 PHE A 68 5.899 8.018 -16.724 1.00 0.00 C ATOM 1004 CE2 PHE A 68 8.054 9.068 -17.110 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.194 7.970 -17.265 1.00 0.00 C ATOM 0 H PHE A 68 5.759 13.435 -16.804 1.00 0.00 H new ATOM 0 HA PHE A 68 3.860 11.368 -15.888 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.669 12.245 -15.147 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.718 11.234 -14.077 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.476 9.194 -15.610 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.298 11.051 -16.291 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.233 7.176 -16.840 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.050 9.033 -17.527 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.527 7.092 -17.798 1.00 0.00 H new ATOM 1015 N ASN A 69 3.359 12.354 -13.552 1.00 0.00 N ATOM 1016 CA ASN A 69 2.455 12.922 -12.548 1.00 0.00 C ATOM 1017 C ASN A 69 3.031 12.820 -11.122 1.00 0.00 C ATOM 1018 O ASN A 69 2.700 11.892 -10.381 1.00 0.00 O ATOM 1019 CB ASN A 69 1.056 12.280 -12.714 1.00 0.00 C ATOM 1020 CG ASN A 69 1.034 10.761 -12.896 1.00 0.00 C ATOM 1021 OD1 ASN A 69 0.677 10.247 -13.949 1.00 0.00 O ATOM 1022 ND2 ASN A 69 1.399 9.998 -11.893 1.00 0.00 N ATOM 0 H ASN A 69 3.587 11.377 -13.367 1.00 0.00 H new ATOM 0 HA ASN A 69 2.348 13.994 -12.712 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.457 12.530 -11.838 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.568 12.737 -13.575 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.384 8.983 -11.993 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.697 10.420 -11.014 1.00 0.00 H new ATOM 1029 N ALA A 70 3.859 13.794 -10.715 1.00 0.00 N ATOM 1030 CA ALA A 70 4.498 13.794 -9.393 1.00 0.00 C ATOM 1031 C ALA A 70 3.494 13.598 -8.242 1.00 0.00 C ATOM 1032 O ALA A 70 3.804 12.923 -7.264 1.00 0.00 O ATOM 1033 CB ALA A 70 5.240 15.110 -9.157 1.00 0.00 C ATOM 0 H ALA A 70 4.103 14.600 -11.291 1.00 0.00 H new ATOM 0 HA ALA A 70 5.190 12.951 -9.395 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.708 15.093 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.007 15.237 -9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.535 15.940 -9.209 1.00 0.00 H new ATOM 1039 N ASP A 71 2.283 14.148 -8.394 1.00 0.00 N ATOM 1040 CA ASP A 71 1.186 14.104 -7.420 1.00 0.00 C ATOM 1041 C ASP A 71 0.774 12.683 -6.985 1.00 0.00 C ATOM 1042 O ASP A 71 0.268 12.501 -5.874 1.00 0.00 O ATOM 1043 CB ASP A 71 -0.021 14.809 -8.051 1.00 0.00 C ATOM 1044 CG ASP A 71 -1.186 14.964 -7.059 1.00 0.00 C ATOM 1045 OD1 ASP A 71 -1.054 15.746 -6.085 1.00 0.00 O ATOM 1046 OD2 ASP A 71 -2.254 14.340 -7.270 1.00 0.00 O ATOM 0 H ASP A 71 2.030 14.660 -9.239 1.00 0.00 H new ATOM 0 HA ASP A 71 1.537 14.598 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.282 15.793 -8.410 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.358 14.242 -8.919 1.00 0.00 H new ATOM 1051 N ASP A 72 0.995 11.673 -7.836 1.00 0.00 N ATOM 1052 CA ASP A 72 0.729 10.272 -7.495 1.00 0.00 C ATOM 1053 C ASP A 72 1.876 9.608 -6.725 1.00 0.00 C ATOM 1054 O ASP A 72 1.635 8.725 -5.900 1.00 0.00 O ATOM 1055 CB ASP A 72 0.438 9.470 -8.764 1.00 0.00 C ATOM 1056 CG ASP A 72 -0.079 8.060 -8.433 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -1.187 7.944 -7.852 1.00 0.00 O ATOM 1058 OD2 ASP A 72 0.601 7.065 -8.778 1.00 0.00 O ATOM 0 H ASP A 72 1.363 11.805 -8.778 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.140 10.275 -6.837 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.301 9.997 -9.368 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.345 9.395 -9.364 1.00 0.00 H new ATOM 1063 N TYR A 73 3.119 10.014 -6.980 1.00 0.00 N ATOM 1064 CA TYR A 73 4.304 9.365 -6.440 1.00 0.00 C ATOM 1065 C TYR A 73 4.514 9.819 -4.990 1.00 0.00 C ATOM 1066 O TYR A 73 4.911 10.955 -4.735 1.00 0.00 O ATOM 1067 CB TYR A 73 5.518 9.654 -7.340 1.00 0.00 C ATOM 1068 CG TYR A 73 5.287 9.513 -8.839 1.00 0.00 C ATOM 1069 CD1 TYR A 73 4.503 8.465 -9.364 1.00 0.00 C ATOM 1070 CD2 TYR A 73 5.843 10.467 -9.715 1.00 0.00 C ATOM 1071 CE1 TYR A 73 4.219 8.413 -10.742 1.00 0.00 C ATOM 1072 CE2 TYR A 73 5.553 10.425 -11.092 1.00 0.00 C ATOM 1073 CZ TYR A 73 4.720 9.409 -11.603 1.00 0.00 C ATOM 1074 OH TYR A 73 4.407 9.396 -12.928 1.00 0.00 O ATOM 0 H TYR A 73 3.330 10.814 -7.576 1.00 0.00 H new ATOM 0 HA TYR A 73 4.174 8.283 -6.427 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.861 10.669 -7.139 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.327 8.982 -7.052 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.119 7.699 -8.706 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.496 11.235 -9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.617 7.609 -11.139 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.968 11.169 -11.755 1.00 0.00 H new ATOM 0 HH TYR A 73 3.523 8.992 -13.051 1.00 0.00 H new ATOM 1084 N ASP A 74 4.269 8.923 -4.028 1.00 0.00 N ATOM 1085 CA ASP A 74 4.533 9.165 -2.602 1.00 0.00 C ATOM 1086 C ASP A 74 5.971 9.667 -2.377 1.00 0.00 C ATOM 1087 O ASP A 74 6.219 10.530 -1.536 1.00 0.00 O ATOM 1088 CB ASP A 74 4.351 7.863 -1.810 1.00 0.00 C ATOM 1089 CG ASP A 74 2.925 7.317 -1.835 1.00 0.00 C ATOM 1090 OD1 ASP A 74 2.623 6.545 -2.777 1.00 0.00 O ATOM 1091 OD2 ASP A 74 2.151 7.593 -0.892 1.00 0.00 O ATOM 0 H ASP A 74 3.878 8.000 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 74 3.830 9.925 -2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.026 7.107 -2.212 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.646 8.035 -0.775 1.00 0.00 H new ATOM 1096 N VAL A 75 6.918 9.144 -3.163 1.00 0.00 N ATOM 1097 CA VAL A 75 8.341 9.473 -3.068 1.00 0.00 C ATOM 1098 C VAL A 75 8.938 9.754 -4.448 1.00 0.00 C ATOM 1099 O VAL A 75 8.694 9.011 -5.401 1.00 0.00 O ATOM 1100 CB VAL A 75 9.106 8.337 -2.377 1.00 0.00 C ATOM 1101 CG1 VAL A 75 10.569 8.723 -2.152 1.00 0.00 C ATOM 1102 CG2 VAL A 75 8.486 7.933 -1.033 1.00 0.00 C ATOM 0 H VAL A 75 6.711 8.467 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 75 8.437 10.379 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 75 9.043 7.481 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.091 7.902 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.042 8.931 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.618 9.612 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.070 7.126 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.485 8.791 -0.360 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.462 7.595 -1.192 1.00 0.00 H new ATOM 1112 N VAL A 76 9.787 10.777 -4.551 1.00 0.00 N ATOM 1113 CA VAL A 76 10.558 11.097 -5.769 1.00 0.00 C ATOM 1114 C VAL A 76 12.054 11.136 -5.461 1.00 0.00 C ATOM 1115 O VAL A 76 12.471 11.686 -4.447 1.00 0.00 O ATOM 1116 CB VAL A 76 10.066 12.412 -6.395 1.00 0.00 C ATOM 1117 CG1 VAL A 76 10.987 12.946 -7.499 1.00 0.00 C ATOM 1118 CG2 VAL A 76 8.686 12.214 -7.026 1.00 0.00 C ATOM 0 H VAL A 76 9.966 11.422 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 76 10.395 10.309 -6.504 1.00 0.00 H new ATOM 0 HB VAL A 76 10.045 13.131 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.579 13.876 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.979 13.132 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.059 12.210 -8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.349 13.153 -7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.747 11.451 -7.802 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.978 11.897 -6.260 1.00 0.00 H new ATOM 1128 N ILE A 77 12.871 10.559 -6.342 1.00 0.00 N ATOM 1129 CA ILE A 77 14.305 10.349 -6.126 1.00 0.00 C ATOM 1130 C ILE A 77 15.116 10.867 -7.309 1.00 0.00 C ATOM 1131 O ILE A 77 15.080 10.269 -8.379 1.00 0.00 O ATOM 1132 CB ILE A 77 14.586 8.841 -5.936 1.00 0.00 C ATOM 1133 CG1 ILE A 77 13.692 8.146 -4.886 1.00 0.00 C ATOM 1134 CG2 ILE A 77 16.068 8.618 -5.610 1.00 0.00 C ATOM 1135 CD1 ILE A 77 13.882 8.657 -3.458 1.00 0.00 C ATOM 0 H ILE A 77 12.548 10.216 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 77 14.601 10.899 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 77 14.332 8.372 -6.886 1.00 0.00 H new ATOM 0 HG12 ILE A 77 12.648 8.278 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 77 13.894 7.075 -4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 77 16.255 7.552 -5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 77 16.681 8.996 -6.428 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.322 9.147 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 77 13.216 8.115 -2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 77 14.916 8.499 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 77 13.650 9.721 -3.418 1.00 0.00 H new ATOM 1147 N SER A 78 15.880 11.940 -7.135 1.00 0.00 N ATOM 1148 CA SER A 78 16.868 12.357 -8.132 1.00 0.00 C ATOM 1149 C SER A 78 18.172 11.584 -7.908 1.00 0.00 C ATOM 1150 O SER A 78 18.543 11.269 -6.777 1.00 0.00 O ATOM 1151 CB SER A 78 17.108 13.861 -8.099 1.00 0.00 C ATOM 1152 OG SER A 78 17.954 14.198 -9.190 1.00 0.00 O ATOM 0 H SER A 78 15.836 12.540 -6.312 1.00 0.00 H new ATOM 0 HA SER A 78 16.478 12.126 -9.123 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.163 14.399 -8.170 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.570 14.152 -7.155 1.00 0.00 H new ATOM 0 HG SER A 78 18.120 15.164 -9.189 1.00 0.00 H new ATOM 1158 N LEU A 79 18.875 11.273 -8.998 1.00 0.00 N ATOM 1159 CA LEU A 79 20.238 10.728 -8.980 1.00 0.00 C ATOM 1160 C LEU A 79 21.158 11.509 -9.939 1.00 0.00 C ATOM 1161 O LEU A 79 22.169 10.981 -10.395 1.00 0.00 O ATOM 1162 CB LEU A 79 20.223 9.207 -9.282 1.00 0.00 C ATOM 1163 CG LEU A 79 19.166 8.338 -8.556 1.00 0.00 C ATOM 1164 CD1 LEU A 79 17.897 8.176 -9.394 1.00 0.00 C ATOM 1165 CD2 LEU A 79 19.702 6.930 -8.302 1.00 0.00 C ATOM 0 H LEU A 79 18.506 11.395 -9.941 1.00 0.00 H new ATOM 0 HA LEU A 79 20.650 10.852 -7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 79 20.082 9.080 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 79 21.208 8.808 -9.041 1.00 0.00 H new ATOM 0 HG LEU A 79 18.942 8.851 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.179 7.560 -8.852 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.461 9.156 -9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.145 7.696 -10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 79 18.942 6.338 -7.791 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.951 6.458 -9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.596 6.987 -7.681 1.00 0.00 H new ATOM 1177 N CYS A 80 20.800 12.752 -10.288 1.00 0.00 N ATOM 1178 CA CYS A 80 21.430 13.540 -11.362 1.00 0.00 C ATOM 1179 C CYS A 80 22.858 14.024 -11.067 1.00 0.00 C ATOM 1180 O CYS A 80 23.707 13.965 -11.957 1.00 0.00 O ATOM 1181 CB CYS A 80 20.529 14.744 -11.685 1.00 0.00 C ATOM 1182 SG CYS A 80 18.916 14.169 -12.287 1.00 0.00 S ATOM 0 H CYS A 80 20.044 13.253 -9.820 1.00 0.00 H new ATOM 0 HA CYS A 80 21.530 12.866 -12.213 1.00 0.00 H new ATOM 0 HB2 CYS A 80 20.396 15.358 -10.795 1.00 0.00 H new ATOM 0 HB3 CYS A 80 21.004 15.373 -12.438 1.00 0.00 H new ATOM 0 HG CYS A 80 18.133 13.938 -11.276 1.00 0.00 H new ATOM 1188 N GLY A 81 23.135 14.475 -9.841 1.00 0.00 N ATOM 1189 CA GLY A 81 24.385 15.168 -9.499 1.00 0.00 C ATOM 1190 C GLY A 81 24.231 16.689 -9.617 1.00 0.00 C ATOM 1191 O GLY A 81 23.136 17.235 -9.449 1.00 0.00 O ATOM 0 H GLY A 81 22.497 14.370 -9.052 1.00 0.00 H new ATOM 0 HA2 GLY A 81 24.680 14.908 -8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 81 25.183 14.829 -10.159 1.00 0.00 H new ATOM 1195 N CYS A 82 25.330 17.383 -9.911 1.00 0.00 N ATOM 1196 CA CYS A 82 25.356 18.842 -10.075 1.00 0.00 C ATOM 1197 C CYS A 82 24.519 19.317 -11.287 1.00 0.00 C ATOM 1198 O CYS A 82 24.333 18.580 -12.260 1.00 0.00 O ATOM 1199 CB CYS A 82 26.828 19.277 -10.184 1.00 0.00 C ATOM 1200 SG CYS A 82 26.997 21.077 -9.977 1.00 0.00 S ATOM 0 H CYS A 82 26.241 16.945 -10.044 1.00 0.00 H new ATOM 0 HA CYS A 82 24.892 19.313 -9.209 1.00 0.00 H new ATOM 0 HB2 CYS A 82 27.419 18.764 -9.426 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.227 18.980 -11.154 1.00 0.00 H new ATOM 0 HG CYS A 82 28.250 21.409 -10.072 1.00 0.00 H new ATOM 1206 N GLY A 83 24.031 20.564 -11.236 1.00 0.00 N ATOM 1207 CA GLY A 83 23.319 21.224 -12.342 1.00 0.00 C ATOM 1208 C GLY A 83 21.809 20.962 -12.415 1.00 0.00 C ATOM 1209 O GLY A 83 21.163 21.452 -13.342 1.00 0.00 O ATOM 0 H GLY A 83 24.121 21.155 -10.409 1.00 0.00 H new ATOM 0 HA2 GLY A 83 23.479 22.299 -12.261 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.770 20.904 -13.281 1.00 0.00 H new ATOM 1213 N VAL A 84 21.235 20.203 -11.469 1.00 0.00 N ATOM 1214 CA VAL A 84 19.812 19.806 -11.476 1.00 0.00 C ATOM 1215 C VAL A 84 19.130 19.985 -10.119 1.00 0.00 C ATOM 1216 O VAL A 84 19.626 19.546 -9.082 1.00 0.00 O ATOM 1217 CB VAL A 84 19.641 18.347 -11.954 1.00 0.00 C ATOM 1218 CG1 VAL A 84 18.190 17.853 -11.850 1.00 0.00 C ATOM 1219 CG2 VAL A 84 20.043 18.211 -13.424 1.00 0.00 C ATOM 0 H VAL A 84 21.750 19.841 -10.666 1.00 0.00 H new ATOM 0 HA VAL A 84 19.322 20.480 -12.179 1.00 0.00 H new ATOM 0 HB VAL A 84 20.279 17.750 -11.302 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.131 16.822 -12.199 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.862 17.904 -10.812 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.546 18.482 -12.465 1.00 0.00 H new ATOM 0 HG21 VAL A 84 19.916 17.176 -13.742 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.414 18.858 -14.035 1.00 0.00 H new ATOM 0 HG23 VAL A 84 21.087 18.501 -13.544 1.00 0.00 H new ATOM 1229 N ASN A 85 17.941 20.586 -10.176 1.00 0.00 N ATOM 1230 CA ASN A 85 16.947 20.708 -9.109 1.00 0.00 C ATOM 1231 C ASN A 85 15.552 20.566 -9.755 1.00 0.00 C ATOM 1232 O ASN A 85 15.400 20.798 -10.956 1.00 0.00 O ATOM 1233 CB ASN A 85 17.133 22.044 -8.362 1.00 0.00 C ATOM 1234 CG ASN A 85 18.302 21.998 -7.386 1.00 0.00 C ATOM 1235 OD1 ASN A 85 18.183 21.512 -6.269 1.00 0.00 O ATOM 1236 ND2 ASN A 85 19.467 22.483 -7.760 1.00 0.00 N ATOM 0 H ASN A 85 17.624 21.035 -11.035 1.00 0.00 H new ATOM 0 HA ASN A 85 17.064 19.926 -8.359 1.00 0.00 H new ATOM 0 HB2 ASN A 85 17.296 22.843 -9.085 1.00 0.00 H new ATOM 0 HB3 ASN A 85 16.219 22.286 -7.820 1.00 0.00 H new ATOM 0 HD21 ASN A 85 20.261 22.452 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 85 19.576 22.890 -8.689 1.00 0.00 H new ATOM 1243 N LEU A 86 14.536 20.175 -8.980 1.00 0.00 N ATOM 1244 CA LEU A 86 13.163 19.924 -9.459 1.00 0.00 C ATOM 1245 C LEU A 86 12.145 20.872 -8.783 1.00 0.00 C ATOM 1246 O LEU A 86 11.313 20.406 -8.010 1.00 0.00 O ATOM 1247 CB LEU A 86 12.811 18.437 -9.222 1.00 0.00 C ATOM 1248 CG LEU A 86 13.608 17.356 -9.952 1.00 0.00 C ATOM 1249 CD1 LEU A 86 12.992 16.009 -9.564 1.00 0.00 C ATOM 1250 CD2 LEU A 86 13.495 17.543 -11.462 1.00 0.00 C ATOM 0 H LEU A 86 14.642 20.019 -7.978 1.00 0.00 H new ATOM 0 HA LEU A 86 13.111 20.133 -10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.901 18.245 -8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.761 18.303 -9.483 1.00 0.00 H new ATOM 0 HG LEU A 86 14.662 17.409 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.532 15.205 -10.064 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.060 15.875 -8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.945 15.987 -9.867 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.068 16.766 -11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.449 17.475 -11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.888 18.522 -11.738 1.00 0.00 H new ATOM 1262 N PRO A 87 12.168 22.194 -9.048 1.00 0.00 N ATOM 1263 CA PRO A 87 11.308 23.163 -8.358 1.00 0.00 C ATOM 1264 C PRO A 87 9.764 22.994 -8.450 1.00 0.00 C ATOM 1265 O PRO A 87 9.096 23.613 -7.611 1.00 0.00 O ATOM 1266 CB PRO A 87 11.762 24.540 -8.859 1.00 0.00 C ATOM 1267 CG PRO A 87 12.429 24.260 -10.203 1.00 0.00 C ATOM 1268 CD PRO A 87 13.048 22.881 -9.988 1.00 0.00 C ATOM 0 HA PRO A 87 11.446 23.002 -7.289 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.917 25.220 -8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.457 25.006 -8.161 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.708 24.257 -11.020 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.183 25.009 -10.445 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.120 22.334 -10.928 1.00 0.00 H new ATOM 0 HD3 PRO A 87 14.059 22.964 -9.589 1.00 0.00 H new ATOM 1276 N PRO A 88 9.146 22.215 -9.378 1.00 0.00 N ATOM 1277 CA PRO A 88 7.688 22.001 -9.381 1.00 0.00 C ATOM 1278 C PRO A 88 7.180 21.049 -8.274 1.00 0.00 C ATOM 1279 O PRO A 88 7.864 20.745 -7.296 1.00 0.00 O ATOM 1280 CB PRO A 88 7.361 21.472 -10.792 1.00 0.00 C ATOM 1281 CG PRO A 88 8.586 21.760 -11.643 1.00 0.00 C ATOM 1282 CD PRO A 88 9.703 21.676 -10.617 1.00 0.00 C ATOM 0 HA PRO A 88 7.173 22.935 -9.155 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.146 20.404 -10.768 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.479 21.966 -11.199 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.709 21.030 -12.443 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.536 22.742 -12.113 1.00 0.00 H new ATOM 0 HD2 PRO A 88 10.033 20.646 -10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.572 22.250 -10.937 1.00 0.00 H new ATOM 1290 N GLU A 89 5.978 20.486 -8.471 1.00 0.00 N ATOM 1291 CA GLU A 89 5.371 19.428 -7.634 1.00 0.00 C ATOM 1292 C GLU A 89 6.253 18.178 -7.413 1.00 0.00 C ATOM 1293 O GLU A 89 6.025 17.394 -6.493 1.00 0.00 O ATOM 1294 CB GLU A 89 3.996 19.037 -8.215 1.00 0.00 C ATOM 1295 CG GLU A 89 4.012 18.689 -9.713 1.00 0.00 C ATOM 1296 CD GLU A 89 2.626 18.192 -10.182 1.00 0.00 C ATOM 1297 OE1 GLU A 89 1.705 19.032 -10.339 1.00 0.00 O ATOM 1298 OE2 GLU A 89 2.453 16.971 -10.412 1.00 0.00 O ATOM 0 H GLU A 89 5.375 20.763 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 89 5.259 19.860 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.611 18.181 -7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.300 19.860 -8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.302 19.567 -10.291 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.761 17.920 -9.903 1.00 0.00 H new ATOM 1305 N TRP A 90 7.316 18.013 -8.200 1.00 0.00 N ATOM 1306 CA TRP A 90 8.339 16.968 -8.064 1.00 0.00 C ATOM 1307 C TRP A 90 9.097 16.964 -6.726 1.00 0.00 C ATOM 1308 O TRP A 90 9.675 15.938 -6.373 1.00 0.00 O ATOM 1309 CB TRP A 90 9.276 17.077 -9.265 1.00 0.00 C ATOM 1310 CG TRP A 90 8.602 16.613 -10.515 1.00 0.00 C ATOM 1311 CD1 TRP A 90 7.918 17.379 -11.394 1.00 0.00 C ATOM 1312 CD2 TRP A 90 8.482 15.249 -11.007 1.00 0.00 C ATOM 1313 NE1 TRP A 90 7.253 16.563 -12.291 1.00 0.00 N ATOM 1314 CE2 TRP A 90 7.575 15.238 -12.105 1.00 0.00 C ATOM 1315 CE3 TRP A 90 9.083 14.027 -10.652 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 7.235 14.060 -12.782 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 8.811 12.855 -11.374 1.00 0.00 C ATOM 1318 CH2 TRP A 90 7.887 12.865 -12.432 1.00 0.00 C ATOM 0 H TRP A 90 7.499 18.633 -8.989 1.00 0.00 H new ATOM 0 HA TRP A 90 7.832 16.003 -8.053 1.00 0.00 H new ATOM 0 HB2 TRP A 90 9.600 18.111 -9.385 1.00 0.00 H new ATOM 0 HB3 TRP A 90 10.171 16.481 -9.088 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.895 18.459 -11.396 1.00 0.00 H new ATOM 0 HE1 TRP A 90 6.605 16.901 -13.002 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.762 13.991 -9.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 6.485 14.070 -13.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 9.317 11.937 -11.114 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.678 11.956 -12.976 1.00 0.00 H new ATOM 1329 N VAL A 91 9.048 18.056 -5.950 1.00 0.00 N ATOM 1330 CA VAL A 91 9.630 18.140 -4.590 1.00 0.00 C ATOM 1331 C VAL A 91 8.602 18.453 -3.492 1.00 0.00 C ATOM 1332 O VAL A 91 8.971 18.557 -2.322 1.00 0.00 O ATOM 1333 CB VAL A 91 10.832 19.105 -4.534 1.00 0.00 C ATOM 1334 CG1 VAL A 91 11.959 18.649 -5.461 1.00 0.00 C ATOM 1335 CG2 VAL A 91 10.439 20.560 -4.830 1.00 0.00 C ATOM 0 H VAL A 91 8.598 18.922 -6.248 1.00 0.00 H new ATOM 0 HA VAL A 91 9.997 17.137 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 91 11.198 19.076 -3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.790 19.352 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 91 12.298 17.658 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.594 18.612 -6.487 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.324 21.194 -4.777 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.006 20.624 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.707 20.896 -4.095 1.00 0.00 H new ATOM 1345 N THR A 92 7.309 18.566 -3.832 1.00 0.00 N ATOM 1346 CA THR A 92 6.215 18.784 -2.858 1.00 0.00 C ATOM 1347 C THR A 92 5.607 17.472 -2.334 1.00 0.00 C ATOM 1348 O THR A 92 4.682 17.496 -1.519 1.00 0.00 O ATOM 1349 CB THR A 92 5.111 19.696 -3.420 1.00 0.00 C ATOM 1350 OG1 THR A 92 4.436 19.043 -4.472 1.00 0.00 O ATOM 1351 CG2 THR A 92 5.653 21.017 -3.967 1.00 0.00 C ATOM 0 H THR A 92 6.985 18.509 -4.797 1.00 0.00 H new ATOM 0 HA THR A 92 6.679 19.290 -2.011 1.00 0.00 H new ATOM 0 HB THR A 92 4.442 19.912 -2.587 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.072 18.498 -4.981 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.828 21.618 -4.350 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.159 21.561 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.359 20.815 -4.773 1.00 0.00 H new ATOM 1359 N GLN A 93 6.127 16.319 -2.779 1.00 0.00 N ATOM 1360 CA GLN A 93 5.677 14.993 -2.349 1.00 0.00 C ATOM 1361 C GLN A 93 6.156 14.649 -0.925 1.00 0.00 C ATOM 1362 O GLN A 93 6.884 15.412 -0.287 1.00 0.00 O ATOM 1363 CB GLN A 93 6.078 13.929 -3.391 1.00 0.00 C ATOM 1364 CG GLN A 93 5.580 14.235 -4.816 1.00 0.00 C ATOM 1365 CD GLN A 93 4.129 14.734 -4.849 1.00 0.00 C ATOM 1366 OE1 GLN A 93 3.204 14.120 -4.327 1.00 0.00 O ATOM 1367 NE2 GLN A 93 3.891 15.916 -5.383 1.00 0.00 N ATOM 0 H GLN A 93 6.886 16.284 -3.460 1.00 0.00 H new ATOM 0 HA GLN A 93 4.588 15.003 -2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.164 13.841 -3.407 1.00 0.00 H new ATOM 0 HB3 GLN A 93 5.684 12.962 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.227 14.987 -5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.663 13.335 -5.425 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.649 16.440 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.949 16.307 -5.358 1.00 0.00 H new ATOM 1376 N GLU A 94 5.729 13.493 -0.410 1.00 0.00 N ATOM 1377 CA GLU A 94 5.919 13.126 1.005 1.00 0.00 C ATOM 1378 C GLU A 94 7.401 12.937 1.376 1.00 0.00 C ATOM 1379 O GLU A 94 7.817 13.368 2.455 1.00 0.00 O ATOM 1380 CB GLU A 94 5.050 11.905 1.345 1.00 0.00 C ATOM 1381 CG GLU A 94 5.216 11.441 2.794 1.00 0.00 C ATOM 1382 CD GLU A 94 4.116 10.438 3.177 1.00 0.00 C ATOM 1383 OE1 GLU A 94 4.039 9.352 2.554 1.00 0.00 O ATOM 1384 OE2 GLU A 94 3.307 10.728 4.094 1.00 0.00 O ATOM 0 H GLU A 94 5.242 12.783 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 94 5.585 13.958 1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.003 12.149 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.306 11.085 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.195 10.980 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.178 12.301 3.462 1.00 0.00 H new ATOM 1391 N ILE A 95 8.206 12.368 0.470 1.00 0.00 N ATOM 1392 CA ILE A 95 9.673 12.320 0.588 1.00 0.00 C ATOM 1393 C ILE A 95 10.320 12.651 -0.767 1.00 0.00 C ATOM 1394 O ILE A 95 9.906 12.140 -1.811 1.00 0.00 O ATOM 1395 CB ILE A 95 10.166 10.956 1.144 1.00 0.00 C ATOM 1396 CG1 ILE A 95 9.520 10.620 2.509 1.00 0.00 C ATOM 1397 CG2 ILE A 95 11.706 10.921 1.251 1.00 0.00 C ATOM 1398 CD1 ILE A 95 10.003 9.313 3.149 1.00 0.00 C ATOM 0 H ILE A 95 7.855 11.922 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 95 9.982 13.075 1.311 1.00 0.00 H new ATOM 0 HB ILE A 95 9.852 10.192 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.718 11.440 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.439 10.566 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 95 12.022 9.954 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 95 12.143 11.072 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 95 12.042 11.712 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 95 9.494 9.164 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.780 8.478 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.079 9.366 3.317 1.00 0.00 H new ATOM 1410 N PHE A 96 11.361 13.484 -0.744 1.00 0.00 N ATOM 1411 CA PHE A 96 12.241 13.735 -1.887 1.00 0.00 C ATOM 1412 C PHE A 96 13.699 13.449 -1.489 1.00 0.00 C ATOM 1413 O PHE A 96 14.141 13.864 -0.415 1.00 0.00 O ATOM 1414 CB PHE A 96 12.051 15.152 -2.447 1.00 0.00 C ATOM 1415 CG PHE A 96 13.064 15.494 -3.528 1.00 0.00 C ATOM 1416 CD1 PHE A 96 12.884 15.050 -4.854 1.00 0.00 C ATOM 1417 CD2 PHE A 96 14.236 16.194 -3.183 1.00 0.00 C ATOM 1418 CE1 PHE A 96 13.889 15.271 -5.812 1.00 0.00 C ATOM 1419 CE2 PHE A 96 15.225 16.441 -4.151 1.00 0.00 C ATOM 1420 CZ PHE A 96 15.057 15.971 -5.465 1.00 0.00 C ATOM 0 H PHE A 96 11.622 14.015 0.087 1.00 0.00 H new ATOM 0 HA PHE A 96 11.973 13.056 -2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.044 15.246 -2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 96 12.134 15.874 -1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 96 11.974 14.540 -5.134 1.00 0.00 H new ATOM 0 HD2 PHE A 96 14.376 16.543 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 96 13.763 14.901 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 96 16.115 16.992 -3.885 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.823 16.147 -6.206 1.00 0.00 H new ATOM 1430 N GLU A 97 14.446 12.748 -2.346 1.00 0.00 N ATOM 1431 CA GLU A 97 15.880 12.469 -2.155 1.00 0.00 C ATOM 1432 C GLU A 97 16.706 12.830 -3.395 1.00 0.00 C ATOM 1433 O GLU A 97 16.191 12.848 -4.512 1.00 0.00 O ATOM 1434 CB GLU A 97 16.134 11.006 -1.767 1.00 0.00 C ATOM 1435 CG GLU A 97 15.439 10.553 -0.473 1.00 0.00 C ATOM 1436 CD GLU A 97 15.989 11.218 0.814 1.00 0.00 C ATOM 1437 OE1 GLU A 97 17.006 11.958 0.781 1.00 0.00 O ATOM 1438 OE2 GLU A 97 15.397 10.982 1.898 1.00 0.00 O ATOM 0 H GLU A 97 14.070 12.350 -3.207 1.00 0.00 H new ATOM 0 HA GLU A 97 16.203 13.104 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 97 15.803 10.365 -2.584 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.208 10.855 -1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.374 10.769 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.539 9.472 -0.380 1.00 0.00 H new ATOM 1445 N ASP A 98 18.001 13.084 -3.202 1.00 0.00 N ATOM 1446 CA ASP A 98 18.955 13.411 -4.262 1.00 0.00 C ATOM 1447 C ASP A 98 20.272 12.653 -4.025 1.00 0.00 C ATOM 1448 O ASP A 98 21.230 13.187 -3.454 1.00 0.00 O ATOM 1449 CB ASP A 98 19.137 14.933 -4.349 1.00 0.00 C ATOM 1450 CG ASP A 98 20.182 15.349 -5.402 1.00 0.00 C ATOM 1451 OD1 ASP A 98 20.319 14.663 -6.442 1.00 0.00 O ATOM 1452 OD2 ASP A 98 20.852 16.390 -5.194 1.00 0.00 O ATOM 0 H ASP A 98 18.428 13.067 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 98 18.575 13.087 -5.231 1.00 0.00 H new ATOM 0 HB2 ASP A 98 18.180 15.396 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 98 19.439 15.315 -3.374 1.00 0.00 H new ATOM 1457 N TRP A 99 20.303 11.373 -4.415 1.00 0.00 N ATOM 1458 CA TRP A 99 21.467 10.500 -4.235 1.00 0.00 C ATOM 1459 C TRP A 99 22.480 10.723 -5.369 1.00 0.00 C ATOM 1460 O TRP A 99 22.521 9.986 -6.356 1.00 0.00 O ATOM 1461 CB TRP A 99 21.052 9.031 -4.086 1.00 0.00 C ATOM 1462 CG TRP A 99 19.869 8.725 -3.214 1.00 0.00 C ATOM 1463 CD1 TRP A 99 18.704 8.260 -3.704 1.00 0.00 C ATOM 1464 CD2 TRP A 99 19.684 8.785 -1.759 1.00 0.00 C ATOM 1465 NE1 TRP A 99 17.821 8.012 -2.674 1.00 0.00 N ATOM 1466 CE2 TRP A 99 18.402 8.232 -1.451 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.460 9.214 -0.663 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 17.942 8.028 -0.144 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 19.987 9.076 0.659 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.742 8.472 0.923 1.00 0.00 C ATOM 0 H TRP A 99 19.514 10.911 -4.868 1.00 0.00 H new ATOM 0 HA TRP A 99 21.963 10.766 -3.301 1.00 0.00 H new ATOM 0 HB2 TRP A 99 20.845 8.638 -5.082 1.00 0.00 H new ATOM 0 HB3 TRP A 99 21.907 8.479 -3.697 1.00 0.00 H new ATOM 0 HD1 TRP A 99 18.492 8.104 -4.751 1.00 0.00 H new ATOM 0 HE1 TRP A 99 16.858 7.704 -2.805 1.00 0.00 H new ATOM 0 HE3 TRP A 99 21.430 9.655 -0.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 16.996 7.541 0.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 20.588 9.438 1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 99 18.404 8.351 1.941 1.00 0.00 H new ATOM 1481 N GLN A 100 23.273 11.789 -5.257 1.00 0.00 N ATOM 1482 CA GLN A 100 24.236 12.188 -6.288 1.00 0.00 C ATOM 1483 C GLN A 100 25.340 11.121 -6.464 1.00 0.00 C ATOM 1484 O GLN A 100 25.978 10.718 -5.490 1.00 0.00 O ATOM 1485 CB GLN A 100 24.842 13.564 -5.949 1.00 0.00 C ATOM 1486 CG GLN A 100 23.785 14.686 -5.856 1.00 0.00 C ATOM 1487 CD GLN A 100 24.368 16.098 -5.770 1.00 0.00 C ATOM 1488 OE1 GLN A 100 25.559 16.343 -5.918 1.00 0.00 O ATOM 1489 NE2 GLN A 100 23.536 17.092 -5.560 1.00 0.00 N ATOM 0 H GLN A 100 23.266 12.405 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 100 23.707 12.270 -7.238 1.00 0.00 H new ATOM 0 HB2 GLN A 100 25.375 13.496 -5.001 1.00 0.00 H new ATOM 0 HB3 GLN A 100 25.577 13.828 -6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 100 23.133 14.628 -6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 100 23.162 14.509 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 100 22.541 16.906 -5.435 1.00 0.00 H new ATOM 0 HE22 GLN A 100 23.885 18.050 -5.522 1.00 0.00 H new ATOM 1498 N LEU A 101 25.565 10.675 -7.707 1.00 0.00 N ATOM 1499 CA LEU A 101 26.559 9.661 -8.100 1.00 0.00 C ATOM 1500 C LEU A 101 27.227 10.060 -9.431 1.00 0.00 C ATOM 1501 O LEU A 101 26.734 10.935 -10.149 1.00 0.00 O ATOM 1502 CB LEU A 101 25.877 8.277 -8.217 1.00 0.00 C ATOM 1503 CG LEU A 101 25.419 7.626 -6.895 1.00 0.00 C ATOM 1504 CD1 LEU A 101 24.722 6.300 -7.189 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.576 7.330 -5.943 1.00 0.00 C ATOM 0 H LEU A 101 25.035 11.026 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 101 27.334 9.601 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.008 8.378 -8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 101 26.569 7.596 -8.712 1.00 0.00 H new ATOM 0 HG LEU A 101 24.750 8.343 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 101 24.400 5.843 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 101 23.854 6.478 -7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 101 25.414 5.631 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.190 6.873 -5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.276 6.646 -6.423 1.00 0.00 H new ATOM 0 HD23 LEU A 101 27.089 8.259 -5.694 1.00 0.00 H new ATOM 1517 N GLU A 102 28.337 9.410 -9.778 1.00 0.00 N ATOM 1518 CA GLU A 102 29.008 9.563 -11.069 1.00 0.00 C ATOM 1519 C GLU A 102 28.212 8.910 -12.211 1.00 0.00 C ATOM 1520 O GLU A 102 27.274 8.143 -11.991 1.00 0.00 O ATOM 1521 CB GLU A 102 30.458 9.043 -10.999 1.00 0.00 C ATOM 1522 CG GLU A 102 30.634 7.553 -10.661 1.00 0.00 C ATOM 1523 CD GLU A 102 30.707 7.292 -9.141 1.00 0.00 C ATOM 1524 OE1 GLU A 102 29.656 7.317 -8.456 1.00 0.00 O ATOM 1525 OE2 GLU A 102 31.829 7.064 -8.623 1.00 0.00 O ATOM 0 H GLU A 102 28.805 8.749 -9.158 1.00 0.00 H new ATOM 0 HA GLU A 102 29.052 10.628 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.936 9.234 -11.960 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.995 9.628 -10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 102 29.803 6.988 -11.083 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.544 7.182 -11.133 1.00 0.00 H new ATOM 1532 N ASP A 103 28.596 9.219 -13.448 1.00 0.00 N ATOM 1533 CA ASP A 103 27.931 8.737 -14.664 1.00 0.00 C ATOM 1534 C ASP A 103 28.756 7.636 -15.372 1.00 0.00 C ATOM 1535 O ASP A 103 29.827 7.945 -15.902 1.00 0.00 O ATOM 1536 CB ASP A 103 27.645 9.933 -15.577 1.00 0.00 C ATOM 1537 CG ASP A 103 26.708 9.520 -16.712 1.00 0.00 C ATOM 1538 OD1 ASP A 103 25.556 9.134 -16.405 1.00 0.00 O ATOM 1539 OD2 ASP A 103 27.077 9.590 -17.902 1.00 0.00 O ATOM 0 H ASP A 103 29.394 9.824 -13.640 1.00 0.00 H new ATOM 0 HA ASP A 103 26.985 8.266 -14.398 1.00 0.00 H new ATOM 0 HB2 ASP A 103 27.195 10.741 -15.000 1.00 0.00 H new ATOM 0 HB3 ASP A 103 28.579 10.317 -15.988 1.00 0.00 H new ATOM 1544 N PRO A 104 28.296 6.363 -15.400 1.00 0.00 N ATOM 1545 CA PRO A 104 29.090 5.232 -15.905 1.00 0.00 C ATOM 1546 C PRO A 104 29.299 5.143 -17.426 1.00 0.00 C ATOM 1547 O PRO A 104 30.131 4.355 -17.872 1.00 0.00 O ATOM 1548 CB PRO A 104 28.388 3.976 -15.393 1.00 0.00 C ATOM 1549 CG PRO A 104 27.642 4.455 -14.161 1.00 0.00 C ATOM 1550 CD PRO A 104 27.182 5.833 -14.616 1.00 0.00 C ATOM 0 HA PRO A 104 30.108 5.364 -15.539 1.00 0.00 H new ATOM 0 HB2 PRO A 104 27.707 3.566 -16.139 1.00 0.00 H new ATOM 0 HB3 PRO A 104 29.102 3.190 -15.148 1.00 0.00 H new ATOM 0 HG2 PRO A 104 26.805 3.804 -13.907 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.286 4.504 -13.283 1.00 0.00 H new ATOM 0 HD2 PRO A 104 26.273 5.768 -15.215 1.00 0.00 H new ATOM 0 HD3 PRO A 104 26.958 6.475 -13.765 1.00 0.00 H new ATOM 1558 N ASP A 105 28.580 5.925 -18.233 1.00 0.00 N ATOM 1559 CA ASP A 105 28.678 5.888 -19.700 1.00 0.00 C ATOM 1560 C ASP A 105 30.117 6.140 -20.198 1.00 0.00 C ATOM 1561 O ASP A 105 30.677 7.227 -20.021 1.00 0.00 O ATOM 1562 CB ASP A 105 27.699 6.904 -20.311 1.00 0.00 C ATOM 1563 CG ASP A 105 27.842 7.031 -21.842 1.00 0.00 C ATOM 1564 OD1 ASP A 105 28.175 6.026 -22.516 1.00 0.00 O ATOM 1565 OD2 ASP A 105 27.605 8.142 -22.376 1.00 0.00 O ATOM 0 H ASP A 105 27.907 6.609 -17.888 1.00 0.00 H new ATOM 0 HA ASP A 105 28.407 4.884 -20.028 1.00 0.00 H new ATOM 0 HB2 ASP A 105 26.678 6.607 -20.070 1.00 0.00 H new ATOM 0 HB3 ASP A 105 27.864 7.880 -19.854 1.00 0.00 H new ATOM 1570 N GLY A 106 30.715 5.122 -20.832 1.00 0.00 N ATOM 1571 CA GLY A 106 32.079 5.179 -21.371 1.00 0.00 C ATOM 1572 C GLY A 106 33.185 5.120 -20.309 1.00 0.00 C ATOM 1573 O GLY A 106 34.337 5.433 -20.618 1.00 0.00 O ATOM 0 H GLY A 106 30.258 4.224 -20.987 1.00 0.00 H new ATOM 0 HA2 GLY A 106 32.216 4.351 -22.067 1.00 0.00 H new ATOM 0 HA3 GLY A 106 32.192 6.099 -21.944 1.00 0.00 H new ATOM 1577 N GLN A 107 32.852 4.742 -19.067 1.00 0.00 N ATOM 1578 CA GLN A 107 33.811 4.648 -17.957 1.00 0.00 C ATOM 1579 C GLN A 107 34.470 3.254 -17.918 1.00 0.00 C ATOM 1580 O GLN A 107 35.436 2.997 -18.643 1.00 0.00 O ATOM 1581 CB GLN A 107 33.164 5.041 -16.612 1.00 0.00 C ATOM 1582 CG GLN A 107 32.449 6.394 -16.562 1.00 0.00 C ATOM 1583 CD GLN A 107 33.315 7.643 -16.684 1.00 0.00 C ATOM 1584 OE1 GLN A 107 34.530 7.616 -16.838 1.00 0.00 O ATOM 1585 NE2 GLN A 107 32.690 8.797 -16.601 1.00 0.00 N ATOM 0 H GLN A 107 31.900 4.490 -18.802 1.00 0.00 H new ATOM 0 HA GLN A 107 34.607 5.371 -18.132 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.446 4.267 -16.341 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.941 5.038 -15.847 1.00 0.00 H new ATOM 0 HG2 GLN A 107 31.710 6.416 -17.363 1.00 0.00 H new ATOM 0 HG3 GLN A 107 31.902 6.453 -15.621 1.00 0.00 H new ATOM 0 HE21 GLN A 107 31.678 8.821 -16.473 1.00 0.00 H new ATOM 0 HE22 GLN A 107 33.217 9.668 -16.665 1.00 0.00 H new ATOM 1594 N SER A 108 33.943 2.352 -17.085 1.00 0.00 N ATOM 1595 CA SER A 108 34.343 0.945 -16.960 1.00 0.00 C ATOM 1596 C SER A 108 33.235 0.143 -16.273 1.00 0.00 C ATOM 1597 O SER A 108 32.368 0.717 -15.610 1.00 0.00 O ATOM 1598 CB SER A 108 35.646 0.821 -16.157 1.00 0.00 C ATOM 1599 OG SER A 108 35.430 1.110 -14.784 1.00 0.00 O ATOM 0 H SER A 108 33.186 2.595 -16.446 1.00 0.00 H new ATOM 0 HA SER A 108 34.510 0.546 -17.960 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.046 -0.188 -16.261 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.393 1.504 -16.562 1.00 0.00 H new ATOM 0 HG SER A 108 36.274 1.022 -14.294 1.00 0.00 H new ATOM 1605 N LEU A 109 33.280 -1.189 -16.362 1.00 0.00 N ATOM 1606 CA LEU A 109 32.330 -2.049 -15.638 1.00 0.00 C ATOM 1607 C LEU A 109 32.477 -1.901 -14.123 1.00 0.00 C ATOM 1608 O LEU A 109 31.484 -1.863 -13.410 1.00 0.00 O ATOM 1609 CB LEU A 109 32.507 -3.516 -16.059 1.00 0.00 C ATOM 1610 CG LEU A 109 32.384 -3.790 -17.569 1.00 0.00 C ATOM 1611 CD1 LEU A 109 32.527 -5.293 -17.787 1.00 0.00 C ATOM 1612 CD2 LEU A 109 31.057 -3.305 -18.155 1.00 0.00 C ATOM 0 H LEU A 109 33.961 -1.698 -16.926 1.00 0.00 H new ATOM 0 HA LEU A 109 31.323 -1.727 -15.902 1.00 0.00 H new ATOM 0 HB2 LEU A 109 33.487 -3.857 -15.724 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.764 -4.118 -15.536 1.00 0.00 H new ATOM 0 HG LEU A 109 33.169 -3.236 -18.083 1.00 0.00 H new ATOM 0 HD11 LEU A 109 32.444 -5.516 -18.851 1.00 0.00 H new ATOM 0 HD12 LEU A 109 33.500 -5.623 -17.422 1.00 0.00 H new ATOM 0 HD13 LEU A 109 31.740 -5.816 -17.244 1.00 0.00 H new ATOM 0 HD21 LEU A 109 31.028 -3.525 -19.222 1.00 0.00 H new ATOM 0 HD22 LEU A 109 30.232 -3.814 -17.657 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.964 -2.229 -18.004 1.00 0.00 H new ATOM 1624 N GLU A 110 33.701 -1.721 -13.631 1.00 0.00 N ATOM 1625 CA GLU A 110 33.958 -1.415 -12.215 1.00 0.00 C ATOM 1626 C GLU A 110 33.263 -0.115 -11.767 1.00 0.00 C ATOM 1627 O GLU A 110 32.679 -0.075 -10.683 1.00 0.00 O ATOM 1628 CB GLU A 110 35.475 -1.371 -11.978 1.00 0.00 C ATOM 1629 CG GLU A 110 35.829 -1.218 -10.495 1.00 0.00 C ATOM 1630 CD GLU A 110 37.352 -1.293 -10.282 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.887 -2.409 -10.072 1.00 0.00 O ATOM 1632 OE2 GLU A 110 38.026 -0.234 -10.312 1.00 0.00 O ATOM 0 H GLU A 110 34.546 -1.782 -14.198 1.00 0.00 H new ATOM 0 HA GLU A 110 33.528 -2.205 -11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.927 -2.284 -12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 110 35.904 -0.541 -12.539 1.00 0.00 H new ATOM 0 HG2 GLU A 110 35.453 -0.265 -10.124 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.338 -2.001 -9.917 1.00 0.00 H new ATOM 1639 N VAL A 111 33.226 0.923 -12.611 1.00 0.00 N ATOM 1640 CA VAL A 111 32.478 2.161 -12.321 1.00 0.00 C ATOM 1641 C VAL A 111 30.963 1.939 -12.398 1.00 0.00 C ATOM 1642 O VAL A 111 30.246 2.433 -11.529 1.00 0.00 O ATOM 1643 CB VAL A 111 32.945 3.315 -13.221 1.00 0.00 C ATOM 1644 CG1 VAL A 111 32.061 4.563 -13.099 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.372 3.741 -12.849 1.00 0.00 C ATOM 0 H VAL A 111 33.709 0.933 -13.509 1.00 0.00 H new ATOM 0 HA VAL A 111 32.697 2.448 -11.293 1.00 0.00 H new ATOM 0 HB VAL A 111 32.889 2.933 -14.241 1.00 0.00 H new ATOM 0 HG11 VAL A 111 32.441 5.344 -13.758 1.00 0.00 H new ATOM 0 HG12 VAL A 111 31.039 4.314 -13.383 1.00 0.00 H new ATOM 0 HG13 VAL A 111 32.075 4.919 -12.069 1.00 0.00 H new ATOM 0 HG21 VAL A 111 34.688 4.559 -13.496 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.394 4.070 -11.810 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.049 2.896 -12.976 1.00 0.00 H new ATOM 1655 N PHE A 112 30.457 1.135 -13.343 1.00 0.00 N ATOM 1656 CA PHE A 112 29.037 0.746 -13.343 1.00 0.00 C ATOM 1657 C PHE A 112 28.664 -0.005 -12.062 1.00 0.00 C ATOM 1658 O PHE A 112 27.682 0.349 -11.420 1.00 0.00 O ATOM 1659 CB PHE A 112 28.704 -0.130 -14.553 1.00 0.00 C ATOM 1660 CG PHE A 112 28.207 0.589 -15.786 1.00 0.00 C ATOM 1661 CD1 PHE A 112 26.831 0.852 -15.936 1.00 0.00 C ATOM 1662 CD2 PHE A 112 29.105 0.956 -16.799 1.00 0.00 C ATOM 1663 CE1 PHE A 112 26.359 1.479 -17.103 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.637 1.596 -17.956 1.00 0.00 C ATOM 1665 CZ PHE A 112 27.267 1.867 -18.103 1.00 0.00 C ATOM 0 H PHE A 112 31.002 0.744 -14.111 1.00 0.00 H new ATOM 0 HA PHE A 112 28.457 1.667 -13.396 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.597 -0.694 -14.823 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.948 -0.855 -14.252 1.00 0.00 H new ATOM 0 HD1 PHE A 112 26.139 0.572 -15.155 1.00 0.00 H new ATOM 0 HD2 PHE A 112 30.158 0.745 -16.688 1.00 0.00 H new ATOM 0 HE1 PHE A 112 25.302 1.662 -17.230 1.00 0.00 H new ATOM 0 HE2 PHE A 112 29.330 1.880 -18.734 1.00 0.00 H new ATOM 0 HZ PHE A 112 26.910 2.375 -18.987 1.00 0.00 H new ATOM 1675 N ARG A 113 29.468 -0.986 -11.642 1.00 0.00 N ATOM 1676 CA ARG A 113 29.269 -1.754 -10.396 1.00 0.00 C ATOM 1677 C ARG A 113 29.342 -0.857 -9.156 1.00 0.00 C ATOM 1678 O ARG A 113 28.509 -0.986 -8.262 1.00 0.00 O ATOM 1679 CB ARG A 113 30.317 -2.880 -10.326 1.00 0.00 C ATOM 1680 CG ARG A 113 30.095 -3.961 -11.405 1.00 0.00 C ATOM 1681 CD ARG A 113 31.274 -4.935 -11.433 1.00 0.00 C ATOM 1682 NE ARG A 113 31.158 -5.921 -12.524 1.00 0.00 N ATOM 1683 CZ ARG A 113 32.130 -6.379 -13.293 1.00 0.00 C ATOM 1684 NH1 ARG A 113 33.355 -5.933 -13.229 1.00 0.00 N ATOM 1685 NH2 ARG A 113 31.883 -7.315 -14.155 1.00 0.00 N ATOM 0 H ARG A 113 30.294 -1.279 -12.164 1.00 0.00 H new ATOM 0 HA ARG A 113 28.269 -2.188 -10.409 1.00 0.00 H new ATOM 0 HB2 ARG A 113 31.313 -2.453 -10.443 1.00 0.00 H new ATOM 0 HB3 ARG A 113 30.283 -3.343 -9.340 1.00 0.00 H new ATOM 0 HG2 ARG A 113 29.172 -4.503 -11.201 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.980 -3.491 -12.382 1.00 0.00 H new ATOM 0 HD2 ARG A 113 32.202 -4.376 -11.549 1.00 0.00 H new ATOM 0 HD3 ARG A 113 31.334 -5.458 -10.478 1.00 0.00 H new ATOM 0 HE ARG A 113 30.224 -6.290 -12.705 1.00 0.00 H new ATOM 0 HH11 ARG A 113 33.596 -5.199 -12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 113 34.071 -6.319 -13.844 1.00 0.00 H new ATOM 0 HH21 ARG A 113 30.940 -7.696 -14.238 1.00 0.00 H new ATOM 0 HH22 ARG A 113 32.631 -7.671 -14.750 1.00 0.00 H new ATOM 1699 N THR A 114 30.254 0.119 -9.152 1.00 0.00 N ATOM 1700 CA THR A 114 30.394 1.131 -8.082 1.00 0.00 C ATOM 1701 C THR A 114 29.143 2.003 -7.954 1.00 0.00 C ATOM 1702 O THR A 114 28.706 2.305 -6.841 1.00 0.00 O ATOM 1703 CB THR A 114 31.635 2.009 -8.339 1.00 0.00 C ATOM 1704 OG1 THR A 114 32.808 1.225 -8.259 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.795 3.139 -7.324 1.00 0.00 C ATOM 0 H THR A 114 30.933 0.237 -9.904 1.00 0.00 H new ATOM 0 HA THR A 114 30.519 0.599 -7.139 1.00 0.00 H new ATOM 0 HB THR A 114 31.490 2.438 -9.330 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.908 0.702 -9.081 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.687 3.718 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.920 3.788 -7.361 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.892 2.718 -6.323 1.00 0.00 H new ATOM 1713 N VAL A 115 28.514 2.373 -9.074 1.00 0.00 N ATOM 1714 CA VAL A 115 27.222 3.083 -9.077 1.00 0.00 C ATOM 1715 C VAL A 115 26.076 2.146 -8.689 1.00 0.00 C ATOM 1716 O VAL A 115 25.314 2.473 -7.786 1.00 0.00 O ATOM 1717 CB VAL A 115 27.011 3.784 -10.435 1.00 0.00 C ATOM 1718 CG1 VAL A 115 25.581 4.285 -10.676 1.00 0.00 C ATOM 1719 CG2 VAL A 115 27.943 4.996 -10.504 1.00 0.00 C ATOM 0 H VAL A 115 28.883 2.190 -10.007 1.00 0.00 H new ATOM 0 HA VAL A 115 27.233 3.863 -8.315 1.00 0.00 H new ATOM 0 HB VAL A 115 27.221 3.036 -11.199 1.00 0.00 H new ATOM 0 HG11 VAL A 115 25.523 4.764 -11.653 1.00 0.00 H new ATOM 0 HG12 VAL A 115 24.890 3.443 -10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 115 25.312 5.005 -9.903 1.00 0.00 H new ATOM 0 HG21 VAL A 115 27.808 5.505 -11.458 1.00 0.00 H new ATOM 0 HG22 VAL A 115 27.708 5.682 -9.690 1.00 0.00 H new ATOM 0 HG23 VAL A 115 28.978 4.665 -10.413 1.00 0.00 H new ATOM 1729 N ARG A 116 25.994 0.955 -9.296 1.00 0.00 N ATOM 1730 CA ARG A 116 24.959 -0.074 -9.059 1.00 0.00 C ATOM 1731 C ARG A 116 24.806 -0.412 -7.573 1.00 0.00 C ATOM 1732 O ARG A 116 23.696 -0.376 -7.061 1.00 0.00 O ATOM 1733 CB ARG A 116 25.316 -1.320 -9.903 1.00 0.00 C ATOM 1734 CG ARG A 116 24.232 -2.408 -9.874 1.00 0.00 C ATOM 1735 CD ARG A 116 24.698 -3.742 -10.469 1.00 0.00 C ATOM 1736 NE ARG A 116 25.722 -4.394 -9.613 1.00 0.00 N ATOM 1737 CZ ARG A 116 26.647 -5.255 -10.005 1.00 0.00 C ATOM 1738 NH1 ARG A 116 26.666 -5.718 -11.214 1.00 0.00 N ATOM 1739 NH2 ARG A 116 27.579 -5.662 -9.198 1.00 0.00 N ATOM 0 H ARG A 116 26.675 0.664 -9.998 1.00 0.00 H new ATOM 0 HA ARG A 116 23.988 0.312 -9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.485 -1.014 -10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.253 -1.741 -9.538 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.915 -2.568 -8.844 1.00 0.00 H new ATOM 0 HG3 ARG A 116 23.359 -2.057 -10.425 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.843 -4.408 -10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 116 25.109 -3.573 -11.464 1.00 0.00 H new ATOM 0 HE ARG A 116 25.711 -4.153 -8.622 1.00 0.00 H new ATOM 0 HH11 ARG A 116 25.959 -5.420 -11.886 1.00 0.00 H new ATOM 0 HH12 ARG A 116 27.388 -6.381 -11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 116 27.609 -5.317 -8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 116 28.281 -6.326 -9.524 1.00 0.00 H new ATOM 1753 N GLY A 117 25.910 -0.673 -6.871 1.00 0.00 N ATOM 1754 CA GLY A 117 25.900 -1.017 -5.440 1.00 0.00 C ATOM 1755 C GLY A 117 25.351 0.101 -4.549 1.00 0.00 C ATOM 1756 O GLY A 117 24.580 -0.161 -3.627 1.00 0.00 O ATOM 0 H GLY A 117 26.845 -0.653 -7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 117 25.300 -1.915 -5.294 1.00 0.00 H new ATOM 0 HA3 GLY A 117 26.915 -1.257 -5.125 1.00 0.00 H new ATOM 1760 N GLN A 118 25.654 1.362 -4.881 1.00 0.00 N ATOM 1761 CA GLN A 118 25.116 2.517 -4.148 1.00 0.00 C ATOM 1762 C GLN A 118 23.638 2.759 -4.493 1.00 0.00 C ATOM 1763 O GLN A 118 22.812 2.865 -3.593 1.00 0.00 O ATOM 1764 CB GLN A 118 25.992 3.761 -4.383 1.00 0.00 C ATOM 1765 CG GLN A 118 27.389 3.591 -3.766 1.00 0.00 C ATOM 1766 CD GLN A 118 28.312 4.754 -4.121 1.00 0.00 C ATOM 1767 OE1 GLN A 118 28.444 5.729 -3.393 1.00 0.00 O ATOM 1768 NE2 GLN A 118 28.973 4.695 -5.258 1.00 0.00 N ATOM 0 H GLN A 118 26.271 1.610 -5.655 1.00 0.00 H new ATOM 0 HA GLN A 118 25.148 2.298 -3.081 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.086 3.944 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.506 4.636 -3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.301 3.515 -2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.830 2.658 -4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 118 28.867 3.885 -5.868 1.00 0.00 H new ATOM 0 HE22 GLN A 118 29.592 5.460 -5.529 1.00 0.00 H new ATOM 1777 N VAL A 119 23.262 2.739 -5.778 1.00 0.00 N ATOM 1778 CA VAL A 119 21.849 2.812 -6.217 1.00 0.00 C ATOM 1779 C VAL A 119 20.990 1.726 -5.547 1.00 0.00 C ATOM 1780 O VAL A 119 19.904 2.026 -5.048 1.00 0.00 O ATOM 1781 CB VAL A 119 21.754 2.747 -7.759 1.00 0.00 C ATOM 1782 CG1 VAL A 119 20.305 2.714 -8.238 1.00 0.00 C ATOM 1783 CG2 VAL A 119 22.389 3.977 -8.412 1.00 0.00 C ATOM 0 H VAL A 119 23.925 2.672 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 119 21.446 3.773 -5.897 1.00 0.00 H new ATOM 0 HB VAL A 119 22.278 1.834 -8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 119 20.283 2.669 -9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 119 19.806 1.836 -7.828 1.00 0.00 H new ATOM 0 HG13 VAL A 119 19.790 3.614 -7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 119 22.304 3.898 -9.496 1.00 0.00 H new ATOM 0 HG22 VAL A 119 21.874 4.876 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 119 23.441 4.034 -8.133 1.00 0.00 H new ATOM 1793 N LYS A 120 21.508 0.492 -5.445 1.00 0.00 N ATOM 1794 CA LYS A 120 20.872 -0.616 -4.712 1.00 0.00 C ATOM 1795 C LYS A 120 20.667 -0.269 -3.240 1.00 0.00 C ATOM 1796 O LYS A 120 19.535 -0.302 -2.769 1.00 0.00 O ATOM 1797 CB LYS A 120 21.727 -1.888 -4.857 1.00 0.00 C ATOM 1798 CG LYS A 120 21.053 -3.102 -4.201 1.00 0.00 C ATOM 1799 CD LYS A 120 21.941 -4.352 -4.262 1.00 0.00 C ATOM 1800 CE LYS A 120 21.132 -5.558 -3.757 1.00 0.00 C ATOM 1801 NZ LYS A 120 22.001 -6.744 -3.499 1.00 0.00 N ATOM 0 H LYS A 120 22.395 0.231 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 120 19.886 -0.793 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 120 21.898 -2.093 -5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 120 22.704 -1.724 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 120 20.822 -2.871 -3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 120 20.106 -3.305 -4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.279 -4.525 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.832 -4.212 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 120 20.608 -5.286 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 120 20.372 -5.819 -4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 21.417 -7.535 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 22.481 -7.020 -4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 22.711 -6.504 -2.778 1.00 0.00 H new ATOM 1815 N GLU A 121 21.731 0.095 -2.517 1.00 0.00 N ATOM 1816 CA GLU A 121 21.636 0.332 -1.068 1.00 0.00 C ATOM 1817 C GLU A 121 20.725 1.508 -0.738 1.00 0.00 C ATOM 1818 O GLU A 121 19.943 1.413 0.203 1.00 0.00 O ATOM 1819 CB GLU A 121 23.029 0.441 -0.407 1.00 0.00 C ATOM 1820 CG GLU A 121 23.662 1.840 -0.410 1.00 0.00 C ATOM 1821 CD GLU A 121 24.908 1.925 0.485 1.00 0.00 C ATOM 1822 OE1 GLU A 121 25.917 1.223 0.237 1.00 0.00 O ATOM 1823 OE2 GLU A 121 24.872 2.737 1.444 1.00 0.00 O ATOM 0 H GLU A 121 22.664 0.232 -2.906 1.00 0.00 H new ATOM 0 HA GLU A 121 21.162 -0.546 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 121 22.948 0.102 0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 121 23.706 -0.245 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.933 2.110 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 121 22.926 2.569 -0.072 1.00 0.00 H new ATOM 1830 N ARG A 122 20.739 2.583 -1.539 1.00 0.00 N ATOM 1831 CA ARG A 122 19.858 3.736 -1.303 1.00 0.00 C ATOM 1832 C ARG A 122 18.396 3.322 -1.447 1.00 0.00 C ATOM 1833 O ARG A 122 17.604 3.633 -0.563 1.00 0.00 O ATOM 1834 CB ARG A 122 20.228 4.893 -2.253 1.00 0.00 C ATOM 1835 CG ARG A 122 21.631 5.498 -2.046 1.00 0.00 C ATOM 1836 CD ARG A 122 21.862 6.168 -0.685 1.00 0.00 C ATOM 1837 NE ARG A 122 22.415 5.241 0.330 1.00 0.00 N ATOM 1838 CZ ARG A 122 22.312 5.334 1.647 1.00 0.00 C ATOM 1839 NH1 ARG A 122 21.580 6.249 2.215 1.00 0.00 N ATOM 1840 NH2 ARG A 122 22.954 4.510 2.422 1.00 0.00 N ATOM 0 H ARG A 122 21.347 2.678 -2.352 1.00 0.00 H new ATOM 0 HA ARG A 122 19.997 4.094 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 122 20.154 4.535 -3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 122 19.489 5.686 -2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.372 4.709 -2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 122 21.811 6.234 -2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 122 22.544 7.009 -0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 122 20.918 6.575 -0.322 1.00 0.00 H new ATOM 0 HE ARG A 122 22.935 4.439 -0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 122 21.066 6.919 1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 122 21.520 6.296 3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 122 23.544 3.783 2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 122 22.868 4.591 3.435 1.00 0.00 H new ATOM 1854 N VAL A 123 18.058 2.517 -2.453 1.00 0.00 N ATOM 1855 CA VAL A 123 16.723 1.916 -2.582 1.00 0.00 C ATOM 1856 C VAL A 123 16.382 0.961 -1.440 1.00 0.00 C ATOM 1857 O VAL A 123 15.315 1.122 -0.859 1.00 0.00 O ATOM 1858 CB VAL A 123 16.566 1.268 -3.974 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.456 0.220 -4.038 1.00 0.00 C ATOM 1860 CG2 VAL A 123 16.292 2.361 -5.012 1.00 0.00 C ATOM 0 H VAL A 123 18.699 2.260 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 123 15.989 2.717 -2.498 1.00 0.00 H new ATOM 0 HB VAL A 123 17.500 0.748 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.403 -0.193 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.669 -0.580 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 123 14.503 0.684 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 123 16.180 1.908 -5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 123 15.376 2.890 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 123 17.125 3.064 -5.028 1.00 0.00 H new ATOM 1870 N GLU A 124 17.243 0.019 -1.051 1.00 0.00 N ATOM 1871 CA GLU A 124 16.936 -0.890 0.074 1.00 0.00 C ATOM 1872 C GLU A 124 16.714 -0.138 1.385 1.00 0.00 C ATOM 1873 O GLU A 124 15.817 -0.485 2.155 1.00 0.00 O ATOM 1874 CB GLU A 124 18.027 -1.948 0.267 1.00 0.00 C ATOM 1875 CG GLU A 124 18.157 -2.920 -0.895 1.00 0.00 C ATOM 1876 CD GLU A 124 19.152 -4.035 -0.517 1.00 0.00 C ATOM 1877 OE1 GLU A 124 20.383 -3.830 -0.641 1.00 0.00 O ATOM 1878 OE2 GLU A 124 18.711 -5.121 -0.063 1.00 0.00 O ATOM 0 H GLU A 124 18.151 -0.140 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 124 16.006 -1.390 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 124 18.983 -1.446 0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.817 -2.511 1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 124 17.185 -3.350 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 124 18.502 -2.396 -1.786 1.00 0.00 H new ATOM 1885 N ASN A 125 17.468 0.940 1.603 1.00 0.00 N ATOM 1886 CA ASN A 125 17.325 1.745 2.815 1.00 0.00 C ATOM 1887 C ASN A 125 16.049 2.603 2.826 1.00 0.00 C ATOM 1888 O ASN A 125 15.560 2.984 3.888 1.00 0.00 O ATOM 1889 CB ASN A 125 18.624 2.539 3.072 1.00 0.00 C ATOM 1890 CG ASN A 125 18.458 4.049 3.106 1.00 0.00 C ATOM 1891 OD1 ASN A 125 18.421 4.679 4.152 1.00 0.00 O ATOM 1892 ND2 ASN A 125 18.321 4.669 1.957 1.00 0.00 N ATOM 0 H ASN A 125 18.183 1.275 0.957 1.00 0.00 H new ATOM 0 HA ASN A 125 17.184 1.072 3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.049 2.214 4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 125 19.346 2.285 2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 125 18.183 5.679 1.936 1.00 0.00 H new ATOM 0 HD22 ASN A 125 18.352 4.140 1.085 1.00 0.00 H new ATOM 1899 N LEU A 126 15.523 2.907 1.639 1.00 0.00 N ATOM 1900 CA LEU A 126 14.302 3.676 1.436 1.00 0.00 C ATOM 1901 C LEU A 126 13.066 2.784 1.514 1.00 0.00 C ATOM 1902 O LEU A 126 12.167 3.078 2.293 1.00 0.00 O ATOM 1903 CB LEU A 126 14.453 4.416 0.092 1.00 0.00 C ATOM 1904 CG LEU A 126 13.201 5.161 -0.389 1.00 0.00 C ATOM 1905 CD1 LEU A 126 12.842 6.335 0.519 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.432 5.648 -1.813 1.00 0.00 C ATOM 0 H LEU A 126 15.954 2.612 0.763 1.00 0.00 H new ATOM 0 HA LEU A 126 14.156 4.411 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.271 5.132 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 126 14.742 3.694 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 126 12.360 4.469 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 126 11.949 6.831 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 126 12.651 5.969 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 126 13.669 7.044 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.547 6.179 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.290 6.320 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.624 4.794 -2.463 1.00 0.00 H new ATOM 1918 N ILE A 127 13.018 1.666 0.778 1.00 0.00 N ATOM 1919 CA ILE A 127 11.815 0.813 0.776 1.00 0.00 C ATOM 1920 C ILE A 127 11.514 0.272 2.171 1.00 0.00 C ATOM 1921 O ILE A 127 10.349 0.211 2.544 1.00 0.00 O ATOM 1922 CB ILE A 127 11.855 -0.305 -0.291 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.987 -1.337 -0.074 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.873 0.345 -1.689 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.283 -2.240 -1.277 1.00 0.00 C ATOM 0 H ILE A 127 13.779 1.333 0.187 1.00 0.00 H new ATOM 0 HA ILE A 127 10.984 1.456 0.486 1.00 0.00 H new ATOM 0 HB ILE A 127 10.951 -0.907 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 127 13.899 -0.802 0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.726 -1.966 0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.901 -0.433 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 127 10.976 0.950 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.755 0.979 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 127 14.091 -2.928 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.389 -2.808 -1.534 1.00 0.00 H new ATOM 0 HD13 ILE A 127 13.580 -1.627 -2.128 1.00 0.00 H new ATOM 1937 N ALA A 128 12.531 0.000 2.987 1.00 0.00 N ATOM 1938 CA ALA A 128 12.336 -0.488 4.348 1.00 0.00 C ATOM 1939 C ALA A 128 11.627 0.527 5.280 1.00 0.00 C ATOM 1940 O ALA A 128 11.062 0.113 6.296 1.00 0.00 O ATOM 1941 CB ALA A 128 13.702 -0.911 4.901 1.00 0.00 C ATOM 0 H ALA A 128 13.510 0.112 2.723 1.00 0.00 H new ATOM 0 HA ALA A 128 11.658 -1.341 4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.584 -1.280 5.920 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.120 -1.700 4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.375 -0.054 4.902 1.00 0.00 H new ATOM 1947 N LYS A 129 11.620 1.833 4.942 1.00 0.00 N ATOM 1948 CA LYS A 129 10.874 2.875 5.685 1.00 0.00 C ATOM 1949 C LYS A 129 9.519 3.273 5.081 1.00 0.00 C ATOM 1950 O LYS A 129 8.598 3.568 5.843 1.00 0.00 O ATOM 1951 CB LYS A 129 11.768 4.086 6.010 1.00 0.00 C ATOM 1952 CG LYS A 129 12.488 4.746 4.822 1.00 0.00 C ATOM 1953 CD LYS A 129 13.224 6.045 5.203 1.00 0.00 C ATOM 1954 CE LYS A 129 14.321 5.887 6.273 1.00 0.00 C ATOM 1955 NZ LYS A 129 15.550 5.199 5.769 1.00 0.00 N ATOM 0 H LYS A 129 12.135 2.199 4.141 1.00 0.00 H new ATOM 0 HA LYS A 129 10.596 2.403 6.627 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.154 4.842 6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.521 3.770 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.205 4.040 4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.760 4.964 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 129 13.674 6.466 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 129 12.491 6.768 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.594 6.872 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 129 13.918 5.324 7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.066 4.780 6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 15.279 4.449 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.161 5.889 5.286 1.00 0.00 H new ATOM 1969 N ILE A 130 9.370 3.260 3.749 1.00 0.00 N ATOM 1970 CA ILE A 130 8.108 3.643 3.060 1.00 0.00 C ATOM 1971 C ILE A 130 7.194 2.476 2.621 1.00 0.00 C ATOM 1972 O ILE A 130 6.113 2.738 2.091 1.00 0.00 O ATOM 1973 CB ILE A 130 8.330 4.691 1.942 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.280 4.280 0.797 1.00 0.00 C ATOM 1975 CG2 ILE A 130 8.841 5.999 2.563 1.00 0.00 C ATOM 1976 CD1 ILE A 130 8.744 3.189 -0.128 1.00 0.00 C ATOM 0 H ILE A 130 10.116 2.985 3.110 1.00 0.00 H new ATOM 0 HA ILE A 130 7.529 4.128 3.846 1.00 0.00 H new ATOM 0 HB ILE A 130 7.352 4.802 1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 130 9.507 5.163 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 130 10.220 3.938 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 130 8.998 6.738 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.106 6.376 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 130 9.783 5.813 3.079 1.00 0.00 H new ATOM 0 HD11 ILE A 130 9.483 2.970 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 130 8.545 2.287 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 130 7.821 3.530 -0.597 1.00 0.00 H new ATOM 1988 N SER A 131 7.581 1.209 2.838 1.00 0.00 N ATOM 1989 CA SER A 131 6.729 0.024 2.568 1.00 0.00 C ATOM 1990 C SER A 131 5.376 0.093 3.295 1.00 0.00 C ATOM 1991 O SER A 131 4.326 -0.019 2.615 1.00 0.00 O ATOM 1992 CB SER A 131 7.446 -1.265 2.966 1.00 0.00 C ATOM 1993 OG SER A 131 8.491 -1.529 2.058 1.00 0.00 O ATOM 1994 OXT SER A 131 5.361 0.231 4.541 1.00 0.00 O ATOM 0 H SER A 131 8.500 0.969 3.209 1.00 0.00 H new ATOM 0 HA SER A 131 6.538 0.025 1.495 1.00 0.00 H new ATOM 0 HB2 SER A 131 7.844 -1.173 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.741 -2.096 2.975 1.00 0.00 H new ATOM 0 HG SER A 131 9.294 -1.039 2.332 1.00 0.00 H new TER 2000 SER A 131