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 180:sc= 0.0485 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.958 K(o=1,f=-2.7!) USER MOD Set 2.1: A 78 SER OG : rot -100:sc= 1.58 USER MOD Set 2.2: A 80 CYS SG : rot 97:sc= 0.331 USER MOD Set 3.1: A 16 GLN : amide:sc= -0.594 X(o=0.038,f=0.47) USER MOD Set 3.2: A 34 SER OG : rot 81:sc= 0.473 USER MOD Set 3.3: A 62 SER OG : rot -8:sc= 0.159 USER MOD Set 4.1: A 23 LYS NZ :NH3+ -179:sc= 2.31 (180deg=1.14) USER MOD Set 4.2: A 60 GLN : amide:sc= 0.958 K(o=3.3,f=-6.4!) USER MOD Set 5.1: A 8 CYS SG : rot -131:sc= 1.3 USER MOD Set 5.2: A 15 SER OG : rot -116:sc= 1.35 USER MOD Set 6.1: A 11 ASN : amide:sc= 0.355! C(o=-0.4!,f=-4.3!) USER MOD Set 6.2: A 13 CYS SG : rot -151:sc= -0.367 USER MOD Set 6.3: A 43 HIS : no HD1:sc= -0.383! K(o=-0.4!,f=-4.3) USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.063) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.125 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 3 LYS NZ :NH3+ -168:sc= 1.26 (180deg=1.11) USER MOD Single : A 5 MET CE :methyl -175:sc= -0.0356 (180deg=-0.14) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0675 USER MOD Single : A 17 MET CE :methyl -171:sc= -2.33 (180deg=-2.41) USER MOD Single : A 24 THR OG1 : rot 101:sc= 0.577 USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.993) USER MOD Single : A 33 THR OG1 : rot 61:sc= 0.774 USER MOD Single : A 35 CYS SG : rot -90:sc= -0.406 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 167:sc= -0.259 (180deg=-0.603) USER MOD Single : A 50 MET CE :methyl -111:sc= -0.217 (180deg=-2.67!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0769 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.46 K(o=0.46,f=-0.74) USER MOD Single : A 69 ASN : amide:sc= 0.278 X(o=0.28,f=-0.046) USER MOD Single : A 73 TYR OH : rot 76:sc= 0.124 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.589 K(o=-0.59,f=-4.6!) USER MOD Single : A 107 GLN : amide:sc= 0.152 K(o=0.15,f=-5.4!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 118 GLN : amide:sc= 1.13 K(o=1.1,f=-0.0047) USER MOD Single : A 120 LYS NZ :NH3+ 172:sc= 2.57 (180deg=2.35) USER MOD Single : A 125 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 161:sc= 1.2 (180deg=1.15) USER MOD Single : A 131 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.887 -1.719 2.162 1.00 0.00 N ATOM 2 CA MET A 1 1.620 -0.908 1.137 1.00 0.00 C ATOM 3 C MET A 1 2.914 -1.643 0.723 1.00 0.00 C ATOM 4 O MET A 1 3.361 -2.485 1.494 1.00 0.00 O ATOM 5 CB MET A 1 1.877 0.525 1.681 1.00 0.00 C ATOM 6 CG MET A 1 2.069 1.591 0.593 1.00 0.00 C ATOM 7 SD MET A 1 0.677 1.759 -0.568 1.00 0.00 S ATOM 8 CE MET A 1 1.188 3.245 -1.478 1.00 0.00 C ATOM 0 H1 MET A 1 0.026 -2.119 1.737 1.00 0.00 H new ATOM 0 H2 MET A 1 1.499 -2.491 2.496 1.00 0.00 H new ATOM 0 H3 MET A 1 0.627 -1.111 2.965 1.00 0.00 H new ATOM 0 HA MET A 1 1.016 -0.796 0.237 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.039 0.816 2.314 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.764 0.506 2.315 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.240 2.554 1.074 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.969 1.353 0.026 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.391 3.547 -2.158 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.389 4.052 -0.773 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.091 3.029 -2.050 1.00 0.00 H new ATOM 18 N LYS A 2 3.517 -1.369 -0.457 1.00 0.00 N ATOM 19 CA LYS A 2 4.656 -2.142 -1.007 1.00 0.00 C ATOM 20 C LYS A 2 5.716 -2.350 0.065 1.00 0.00 C ATOM 21 O LYS A 2 6.222 -1.358 0.588 1.00 0.00 O ATOM 22 CB LYS A 2 5.314 -1.495 -2.253 1.00 0.00 C ATOM 23 CG LYS A 2 4.354 -1.071 -3.373 1.00 0.00 C ATOM 24 CD LYS A 2 3.798 0.372 -3.238 1.00 0.00 C ATOM 25 CE LYS A 2 4.730 1.497 -3.745 1.00 0.00 C ATOM 26 NZ LYS A 2 4.416 1.879 -5.152 1.00 0.00 N ATOM 0 H LYS A 2 3.225 -0.599 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 2 4.237 -3.095 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.875 -0.618 -1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.035 -2.200 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.871 -1.159 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.516 -1.768 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.856 0.432 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.571 0.558 -2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.631 2.370 -3.100 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.767 1.168 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.060 2.636 -5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.534 1.052 -5.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.434 2.217 -5.209 1.00 0.00 H new ATOM 40 N LYS A 3 6.016 -3.588 0.440 1.00 0.00 N ATOM 41 CA LYS A 3 6.847 -3.861 1.607 1.00 0.00 C ATOM 42 C LYS A 3 8.286 -4.004 1.150 1.00 0.00 C ATOM 43 O LYS A 3 8.561 -4.702 0.175 1.00 0.00 O ATOM 44 CB LYS A 3 6.334 -5.077 2.400 1.00 0.00 C ATOM 45 CG LYS A 3 4.814 -5.090 2.642 1.00 0.00 C ATOM 46 CD LYS A 3 4.271 -6.348 3.339 1.00 0.00 C ATOM 47 CE LYS A 3 5.071 -6.767 4.585 1.00 0.00 C ATOM 48 NZ LYS A 3 4.463 -7.925 5.292 1.00 0.00 N ATOM 0 H LYS A 3 5.694 -4.423 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 3 6.792 -3.028 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.611 -5.986 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.842 -5.106 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.551 -4.219 3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.309 -4.980 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.235 -6.173 3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.269 -7.173 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.089 -7.020 4.290 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.138 -5.922 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.914 -8.039 6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.444 -7.758 5.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.605 -8.788 4.730 1.00 0.00 H new ATOM 62 N VAL A 4 9.194 -3.359 1.870 1.00 0.00 N ATOM 63 CA VAL A 4 10.618 -3.381 1.594 1.00 0.00 C ATOM 64 C VAL A 4 11.308 -4.121 2.733 1.00 0.00 C ATOM 65 O VAL A 4 10.818 -4.113 3.866 1.00 0.00 O ATOM 66 CB VAL A 4 11.189 -1.968 1.395 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.606 -2.040 0.803 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.326 -1.100 0.462 1.00 0.00 C ATOM 0 H VAL A 4 8.951 -2.792 2.682 1.00 0.00 H new ATOM 0 HA VAL A 4 10.801 -3.903 0.654 1.00 0.00 H new ATOM 0 HB VAL A 4 11.201 -1.507 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.996 -1.031 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.256 -2.593 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.572 -2.548 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.779 -0.114 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.261 -1.573 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.326 -0.998 0.882 1.00 0.00 H new ATOM 78 N MET A 5 12.459 -4.716 2.451 1.00 0.00 N ATOM 79 CA MET A 5 13.250 -5.463 3.407 1.00 0.00 C ATOM 80 C MET A 5 14.703 -5.076 3.215 1.00 0.00 C ATOM 81 O MET A 5 15.134 -4.934 2.069 1.00 0.00 O ATOM 82 CB MET A 5 13.078 -6.955 3.132 1.00 0.00 C ATOM 83 CG MET A 5 13.825 -7.848 4.129 1.00 0.00 C ATOM 84 SD MET A 5 13.358 -7.610 5.860 1.00 0.00 S ATOM 85 CE MET A 5 11.807 -8.545 5.849 1.00 0.00 C ATOM 0 H MET A 5 12.877 -4.689 1.521 1.00 0.00 H new ATOM 0 HA MET A 5 12.934 -5.246 4.427 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.017 -7.202 3.159 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.431 -7.174 2.124 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.653 -8.890 3.861 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.895 -7.665 4.028 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.314 -8.443 6.816 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.154 -8.158 5.067 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.018 -9.597 5.658 1.00 0.00 H new ATOM 95 N PHE A 6 15.453 -5.000 4.312 1.00 0.00 N ATOM 96 CA PHE A 6 16.871 -4.679 4.320 1.00 0.00 C ATOM 97 C PHE A 6 17.579 -5.780 5.115 1.00 0.00 C ATOM 98 O PHE A 6 17.410 -5.860 6.332 1.00 0.00 O ATOM 99 CB PHE A 6 17.095 -3.287 4.911 1.00 0.00 C ATOM 100 CG PHE A 6 16.446 -2.204 4.079 1.00 0.00 C ATOM 101 CD1 PHE A 6 15.123 -1.823 4.350 1.00 0.00 C ATOM 102 CD2 PHE A 6 17.108 -1.671 2.960 1.00 0.00 C ATOM 103 CE1 PHE A 6 14.451 -0.949 3.490 1.00 0.00 C ATOM 104 CE2 PHE A 6 16.444 -0.761 2.121 1.00 0.00 C ATOM 105 CZ PHE A 6 15.117 -0.391 2.390 1.00 0.00 C ATOM 0 H PHE A 6 15.076 -5.166 5.245 1.00 0.00 H new ATOM 0 HA PHE A 6 17.282 -4.646 3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.693 -3.255 5.924 1.00 0.00 H new ATOM 0 HB3 PHE A 6 18.165 -3.094 4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 6 14.622 -2.206 5.226 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.126 -1.961 2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 6 13.416 -0.703 3.674 1.00 0.00 H new ATOM 0 HE2 PHE A 6 16.956 -0.345 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.612 0.320 1.753 1.00 0.00 H new ATOM 115 N VAL A 7 18.305 -6.670 4.446 1.00 0.00 N ATOM 116 CA VAL A 7 18.911 -7.863 5.048 1.00 0.00 C ATOM 117 C VAL A 7 20.348 -7.527 5.431 1.00 0.00 C ATOM 118 O VAL A 7 21.018 -6.868 4.644 1.00 0.00 O ATOM 119 CB VAL A 7 18.923 -9.043 4.048 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.188 -10.390 4.735 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.647 -9.158 3.193 1.00 0.00 C ATOM 0 H VAL A 7 18.495 -6.584 3.448 1.00 0.00 H new ATOM 0 HA VAL A 7 18.329 -8.156 5.921 1.00 0.00 H new ATOM 0 HB VAL A 7 19.749 -8.807 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.186 -11.185 3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.158 -10.360 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.408 -10.582 5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.736 -10.010 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.784 -9.299 3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.516 -8.246 2.610 1.00 0.00 H new ATOM 131 N CYS A 8 20.864 -8.016 6.562 1.00 0.00 N ATOM 132 CA CYS A 8 22.263 -7.812 6.935 1.00 0.00 C ATOM 133 C CYS A 8 22.967 -9.091 7.397 1.00 0.00 C ATOM 134 O CYS A 8 22.330 -10.055 7.824 1.00 0.00 O ATOM 135 CB CYS A 8 22.315 -6.777 8.060 1.00 0.00 C ATOM 136 SG CYS A 8 23.821 -5.764 7.889 1.00 0.00 S ATOM 0 H CYS A 8 20.328 -8.560 7.238 1.00 0.00 H new ATOM 0 HA CYS A 8 22.791 -7.472 6.044 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.431 -6.141 8.024 1.00 0.00 H new ATOM 0 HB3 CYS A 8 22.309 -7.277 9.029 1.00 0.00 H new ATOM 0 HG CYS A 8 24.440 -5.710 9.031 1.00 0.00 H new ATOM 142 N LYS A 9 24.306 -9.029 7.399 1.00 0.00 N ATOM 143 CA LYS A 9 25.224 -10.015 7.989 1.00 0.00 C ATOM 144 C LYS A 9 26.421 -9.274 8.626 1.00 0.00 C ATOM 145 O LYS A 9 27.555 -9.748 8.602 1.00 0.00 O ATOM 146 CB LYS A 9 25.609 -11.036 6.890 1.00 0.00 C ATOM 147 CG LYS A 9 26.114 -12.373 7.463 1.00 0.00 C ATOM 148 CD LYS A 9 26.433 -13.363 6.330 1.00 0.00 C ATOM 149 CE LYS A 9 26.844 -14.754 6.847 1.00 0.00 C ATOM 150 NZ LYS A 9 28.171 -14.768 7.522 1.00 0.00 N ATOM 0 H LYS A 9 24.804 -8.250 6.967 1.00 0.00 H new ATOM 0 HA LYS A 9 24.762 -10.583 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 9 24.743 -11.223 6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.382 -10.604 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.006 -12.202 8.066 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.359 -12.800 8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.559 -13.464 5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.237 -12.957 5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 9 26.087 -15.112 7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.863 -15.453 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.386 -15.733 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.904 -14.455 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.151 -14.125 8.340 1.00 0.00 H new ATOM 164 N ARG A 10 26.186 -8.042 9.102 1.00 0.00 N ATOM 165 CA ARG A 10 27.189 -7.070 9.567 1.00 0.00 C ATOM 166 C ARG A 10 26.477 -6.126 10.548 1.00 0.00 C ATOM 167 O ARG A 10 25.312 -6.349 10.875 1.00 0.00 O ATOM 168 CB ARG A 10 27.777 -6.362 8.313 1.00 0.00 C ATOM 169 CG ARG A 10 28.955 -5.383 8.510 1.00 0.00 C ATOM 170 CD ARG A 10 30.194 -5.985 9.196 1.00 0.00 C ATOM 171 NE ARG A 10 31.038 -6.712 8.232 1.00 0.00 N ATOM 172 CZ ARG A 10 31.860 -7.745 8.453 1.00 0.00 C ATOM 173 NH1 ARG A 10 31.815 -8.450 9.582 1.00 0.00 N ATOM 174 NH2 ARG A 10 32.751 -8.050 7.519 1.00 0.00 N ATOM 0 H ARG A 10 25.237 -7.676 9.177 1.00 0.00 H new ATOM 0 HA ARG A 10 28.029 -7.519 10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 10 28.100 -7.135 7.616 1.00 0.00 H new ATOM 0 HB3 ARG A 10 26.967 -5.815 7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.251 -4.994 7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 10 28.608 -4.535 9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 10 30.775 -5.191 9.665 1.00 0.00 H new ATOM 0 HD3 ARG A 10 29.880 -6.662 9.991 1.00 0.00 H new ATOM 0 HE ARG A 10 30.990 -6.384 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 10 31.141 -8.208 10.308 1.00 0.00 H new ATOM 0 HH12 ARG A 10 32.455 -9.232 9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 10 32.797 -7.502 6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 10 33.390 -8.832 7.660 1.00 0.00 H new ATOM 188 N ASN A 11 27.166 -5.087 11.023 1.00 0.00 N ATOM 189 CA ASN A 11 26.614 -4.031 11.869 1.00 0.00 C ATOM 190 C ASN A 11 25.357 -3.419 11.255 1.00 0.00 C ATOM 191 O ASN A 11 25.293 -3.190 10.048 1.00 0.00 O ATOM 192 CB ASN A 11 27.669 -2.944 12.118 1.00 0.00 C ATOM 193 CG ASN A 11 27.286 -2.122 13.341 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.496 -1.188 13.256 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.793 -2.506 14.494 1.00 0.00 N ATOM 0 H ASN A 11 28.157 -4.954 10.822 1.00 0.00 H new ATOM 0 HA ASN A 11 26.333 -4.480 12.821 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.647 -3.401 12.268 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.750 -2.297 11.245 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.531 -2.022 15.353 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.448 -3.287 14.528 1.00 0.00 H new ATOM 202 N SER A 12 24.370 -3.102 12.091 1.00 0.00 N ATOM 203 CA SER A 12 23.072 -2.575 11.693 1.00 0.00 C ATOM 204 C SER A 12 23.150 -1.165 11.094 1.00 0.00 C ATOM 205 O SER A 12 22.213 -0.754 10.402 1.00 0.00 O ATOM 206 CB SER A 12 22.188 -2.615 12.942 1.00 0.00 C ATOM 207 OG SER A 12 22.884 -2.069 14.052 1.00 0.00 O ATOM 0 H SER A 12 24.459 -3.210 13.101 1.00 0.00 H new ATOM 0 HA SER A 12 22.654 -3.184 10.892 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.271 -2.053 12.766 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.895 -3.643 13.157 1.00 0.00 H new ATOM 0 HG SER A 12 22.309 -2.098 14.845 1.00 0.00 H new ATOM 213 N CYS A 13 24.252 -0.430 11.300 1.00 0.00 N ATOM 214 CA CYS A 13 24.404 0.935 10.808 1.00 0.00 C ATOM 215 C CYS A 13 24.351 1.053 9.281 1.00 0.00 C ATOM 216 O CYS A 13 24.234 2.178 8.802 1.00 0.00 O ATOM 217 CB CYS A 13 25.681 1.568 11.375 1.00 0.00 C ATOM 218 SG CYS A 13 27.142 0.690 10.763 1.00 0.00 S ATOM 0 H CYS A 13 25.063 -0.772 11.815 1.00 0.00 H new ATOM 0 HA CYS A 13 23.539 1.491 11.169 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.733 2.618 11.088 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.659 1.536 12.464 1.00 0.00 H new ATOM 0 HG CYS A 13 28.099 0.778 11.638 1.00 0.00 H new ATOM 224 N ARG A 14 24.409 -0.053 8.518 1.00 0.00 N ATOM 225 CA ARG A 14 24.130 -0.001 7.077 1.00 0.00 C ATOM 226 C ARG A 14 22.712 -0.487 6.760 1.00 0.00 C ATOM 227 O ARG A 14 22.047 0.147 5.953 1.00 0.00 O ATOM 228 CB ARG A 14 25.267 -0.627 6.220 1.00 0.00 C ATOM 229 CG ARG A 14 25.517 -2.145 6.294 1.00 0.00 C ATOM 230 CD ARG A 14 26.655 -2.600 5.341 1.00 0.00 C ATOM 231 NE ARG A 14 26.617 -4.073 5.150 1.00 0.00 N ATOM 232 CZ ARG A 14 27.656 -4.873 4.859 1.00 0.00 C ATOM 233 NH1 ARG A 14 28.853 -4.375 4.621 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.499 -6.192 4.841 1.00 0.00 N ATOM 0 H ARG A 14 24.643 -0.981 8.872 1.00 0.00 H new ATOM 0 HA ARG A 14 24.136 1.044 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.067 -0.378 5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.197 -0.128 6.494 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.771 -2.420 7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 14 24.599 -2.675 6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 14 26.552 -2.100 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.621 -2.306 5.752 1.00 0.00 H new ATOM 0 HE ARG A 14 25.707 -4.524 5.250 1.00 0.00 H new ATOM 0 HH11 ARG A 14 29.002 -3.367 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 14 29.630 -4.998 4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.587 -6.600 5.049 1.00 0.00 H new ATOM 0 HH22 ARG A 14 28.290 -6.797 4.620 1.00 0.00 H new ATOM 248 N SER A 15 22.176 -1.511 7.428 1.00 0.00 N ATOM 249 CA SER A 15 20.925 -2.161 7.017 1.00 0.00 C ATOM 250 C SER A 15 19.676 -1.693 7.773 1.00 0.00 C ATOM 251 O SER A 15 18.720 -1.240 7.149 1.00 0.00 O ATOM 252 CB SER A 15 21.142 -3.649 7.232 1.00 0.00 C ATOM 253 OG SER A 15 21.656 -3.787 8.561 1.00 0.00 O ATOM 0 H SER A 15 22.594 -1.914 8.267 1.00 0.00 H new ATOM 0 HA SER A 15 20.721 -1.898 5.979 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.209 -4.200 7.116 1.00 0.00 H new ATOM 0 HB3 SER A 15 21.842 -4.051 6.500 1.00 0.00 H new ATOM 0 HG SER A 15 22.567 -4.146 8.524 1.00 0.00 H new ATOM 259 N GLN A 16 19.668 -1.744 9.108 1.00 0.00 N ATOM 260 CA GLN A 16 18.591 -1.134 9.901 1.00 0.00 C ATOM 261 C GLN A 16 18.656 0.385 9.728 1.00 0.00 C ATOM 262 O GLN A 16 17.641 1.058 9.848 1.00 0.00 O ATOM 263 CB GLN A 16 18.677 -1.627 11.345 1.00 0.00 C ATOM 264 CG GLN A 16 17.413 -1.291 12.145 1.00 0.00 C ATOM 265 CD GLN A 16 17.494 -1.801 13.581 1.00 0.00 C ATOM 266 OE1 GLN A 16 18.185 -1.222 14.412 1.00 0.00 O ATOM 267 NE2 GLN A 16 16.830 -2.904 13.906 1.00 0.00 N ATOM 0 H GLN A 16 20.392 -2.200 9.663 1.00 0.00 H new ATOM 0 HA GLN A 16 17.603 -1.437 9.554 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.833 -2.706 11.351 1.00 0.00 H new ATOM 0 HB3 GLN A 16 19.543 -1.177 11.830 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.264 -0.211 12.151 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.545 -1.729 11.653 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.258 -3.379 13.208 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.892 -3.276 14.854 1.00 0.00 H new ATOM 276 N MET A 17 19.814 0.950 9.363 1.00 0.00 N ATOM 277 CA MET A 17 19.853 2.344 8.948 1.00 0.00 C ATOM 278 C MET A 17 19.112 2.515 7.628 1.00 0.00 C ATOM 279 O MET A 17 18.360 3.469 7.476 1.00 0.00 O ATOM 280 CB MET A 17 21.282 2.825 8.751 1.00 0.00 C ATOM 281 CG MET A 17 21.324 4.276 8.239 1.00 0.00 C ATOM 282 SD MET A 17 20.653 5.612 9.280 1.00 0.00 S ATOM 283 CE MET A 17 18.835 5.631 9.355 1.00 0.00 C ATOM 0 H MET A 17 20.714 0.470 9.349 1.00 0.00 H new ATOM 0 HA MET A 17 19.380 2.931 9.736 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.824 2.755 9.694 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.792 2.173 8.042 1.00 0.00 H new ATOM 0 HG2 MET A 17 22.366 4.518 8.027 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.791 4.303 7.289 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.501 6.539 9.856 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.429 5.604 8.344 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.485 4.761 9.910 1.00 0.00 H new ATOM 293 N ALA A 18 19.325 1.620 6.665 1.00 0.00 N ATOM 294 CA ALA A 18 18.639 1.725 5.393 1.00 0.00 C ATOM 295 C ALA A 18 17.132 1.652 5.620 1.00 0.00 C ATOM 296 O ALA A 18 16.396 2.459 5.067 1.00 0.00 O ATOM 297 CB ALA A 18 19.152 0.631 4.459 1.00 0.00 C ATOM 0 H ALA A 18 19.960 0.826 6.746 1.00 0.00 H new ATOM 0 HA ALA A 18 18.843 2.684 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.641 0.703 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.225 0.754 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.957 -0.346 4.901 1.00 0.00 H new ATOM 303 N GLU A 19 16.701 0.783 6.530 1.00 0.00 N ATOM 304 CA GLU A 19 15.340 0.723 7.024 1.00 0.00 C ATOM 305 C GLU A 19 14.933 2.066 7.656 1.00 0.00 C ATOM 306 O GLU A 19 13.859 2.570 7.326 1.00 0.00 O ATOM 307 CB GLU A 19 15.241 -0.478 7.978 1.00 0.00 C ATOM 308 CG GLU A 19 13.824 -0.931 8.326 1.00 0.00 C ATOM 309 CD GLU A 19 13.026 0.052 9.196 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.648 0.791 9.991 1.00 0.00 O ATOM 311 OE2 GLU A 19 11.775 0.017 9.136 1.00 0.00 O ATOM 0 H GLU A 19 17.311 0.083 6.953 1.00 0.00 H new ATOM 0 HA GLU A 19 14.625 0.568 6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.772 -1.318 7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.760 -0.228 8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.275 -1.102 7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.881 -1.888 8.844 1.00 0.00 H new ATOM 318 N GLY A 20 15.769 2.713 8.483 1.00 0.00 N ATOM 319 CA GLY A 20 15.388 3.919 9.198 1.00 0.00 C ATOM 320 C GLY A 20 15.268 5.119 8.272 1.00 0.00 C ATOM 321 O GLY A 20 14.327 5.900 8.391 1.00 0.00 O ATOM 0 H GLY A 20 16.724 2.407 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.436 3.755 9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.127 4.130 9.971 1.00 0.00 H new ATOM 325 N PHE A 21 16.164 5.253 7.296 1.00 0.00 N ATOM 326 CA PHE A 21 16.014 6.243 6.238 1.00 0.00 C ATOM 327 C PHE A 21 14.810 5.878 5.388 1.00 0.00 C ATOM 328 O PHE A 21 14.101 6.777 4.958 1.00 0.00 O ATOM 329 CB PHE A 21 17.277 6.323 5.371 1.00 0.00 C ATOM 330 CG PHE A 21 18.393 7.195 5.909 1.00 0.00 C ATOM 331 CD1 PHE A 21 18.163 8.559 6.180 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.688 6.675 6.072 1.00 0.00 C ATOM 333 CE1 PHE A 21 19.205 9.379 6.645 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.727 7.493 6.529 1.00 0.00 C ATOM 335 CZ PHE A 21 20.493 8.846 6.824 1.00 0.00 C ATOM 0 H PHE A 21 17.006 4.683 7.218 1.00 0.00 H new ATOM 0 HA PHE A 21 15.863 7.224 6.689 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.665 5.314 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.995 6.693 4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 21 17.179 8.977 6.029 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.883 5.638 5.843 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.016 10.419 6.865 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.717 7.081 6.656 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.296 9.471 7.185 1.00 0.00 H new ATOM 345 N ALA A 22 14.537 4.601 5.136 1.00 0.00 N ATOM 346 CA ALA A 22 13.462 4.222 4.236 1.00 0.00 C ATOM 347 C ALA A 22 12.100 4.469 4.880 1.00 0.00 C ATOM 348 O ALA A 22 11.222 4.988 4.201 1.00 0.00 O ATOM 349 CB ALA A 22 13.646 2.777 3.765 1.00 0.00 C ATOM 0 H ALA A 22 15.046 3.816 5.543 1.00 0.00 H new ATOM 0 HA ALA A 22 13.500 4.853 3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.833 2.508 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.597 2.683 3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.639 2.110 4.627 1.00 0.00 H new ATOM 355 N LYS A 23 11.898 4.197 6.172 1.00 0.00 N ATOM 356 CA LYS A 23 10.633 4.522 6.843 1.00 0.00 C ATOM 357 C LYS A 23 10.420 6.037 6.929 1.00 0.00 C ATOM 358 O LYS A 23 9.287 6.500 6.962 1.00 0.00 O ATOM 359 CB LYS A 23 10.550 3.819 8.213 1.00 0.00 C ATOM 360 CG LYS A 23 11.425 4.477 9.293 1.00 0.00 C ATOM 361 CD LYS A 23 11.406 3.748 10.642 1.00 0.00 C ATOM 362 CE LYS A 23 12.228 4.567 11.653 1.00 0.00 C ATOM 363 NZ LYS A 23 12.450 3.841 12.930 1.00 0.00 N ATOM 0 H LYS A 23 12.591 3.754 6.775 1.00 0.00 H new ATOM 0 HA LYS A 23 9.809 4.138 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.513 3.816 8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.851 2.778 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.453 4.526 8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.090 5.503 9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.381 3.630 10.994 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.824 2.747 10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.192 4.821 11.211 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.714 5.506 11.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.993 4.443 13.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.533 3.606 13.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.980 2.965 12.744 1.00 0.00 H new ATOM 377 N THR A 24 11.510 6.801 6.946 1.00 0.00 N ATOM 378 CA THR A 24 11.534 8.251 6.983 1.00 0.00 C ATOM 379 C THR A 24 11.178 8.829 5.607 1.00 0.00 C ATOM 380 O THR A 24 10.296 9.678 5.483 1.00 0.00 O ATOM 381 CB THR A 24 12.962 8.604 7.451 1.00 0.00 C ATOM 382 OG1 THR A 24 13.047 8.428 8.850 1.00 0.00 O ATOM 383 CG2 THR A 24 13.496 9.974 7.057 1.00 0.00 C ATOM 0 H THR A 24 12.447 6.398 6.934 1.00 0.00 H new ATOM 0 HA THR A 24 10.795 8.681 7.659 1.00 0.00 H new ATOM 0 HB THR A 24 13.611 7.914 6.911 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.493 7.578 9.046 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.507 10.096 7.447 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.513 10.059 5.970 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.851 10.749 7.471 1.00 0.00 H new ATOM 391 N LEU A 25 11.855 8.350 4.562 1.00 0.00 N ATOM 392 CA LEU A 25 11.827 8.914 3.217 1.00 0.00 C ATOM 393 C LEU A 25 10.710 8.314 2.352 1.00 0.00 C ATOM 394 O LEU A 25 10.209 8.969 1.442 1.00 0.00 O ATOM 395 CB LEU A 25 13.186 8.658 2.550 1.00 0.00 C ATOM 396 CG LEU A 25 14.364 9.489 3.070 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.655 9.024 2.380 1.00 0.00 C ATOM 398 CD2 LEU A 25 14.177 10.989 2.817 1.00 0.00 C ATOM 0 H LEU A 25 12.458 7.530 4.634 1.00 0.00 H new ATOM 0 HA LEU A 25 11.627 9.982 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.432 7.603 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.083 8.842 1.481 1.00 0.00 H new ATOM 0 HG LEU A 25 14.421 9.338 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.496 9.613 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.826 7.970 2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.561 9.159 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 25 15.038 11.533 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.085 11.169 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.274 11.333 3.321 1.00 0.00 H new ATOM 410 N GLY A 26 10.319 7.070 2.644 1.00 0.00 N ATOM 411 CA GLY A 26 9.303 6.278 1.948 1.00 0.00 C ATOM 412 C GLY A 26 7.955 6.326 2.663 1.00 0.00 C ATOM 413 O GLY A 26 7.077 5.508 2.386 1.00 0.00 O ATOM 0 H GLY A 26 10.731 6.557 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.187 6.650 0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.638 5.243 1.873 1.00 0.00 H new ATOM 417 N ALA A 27 7.806 7.240 3.622 1.00 0.00 N ATOM 418 CA ALA A 27 6.676 7.322 4.530 1.00 0.00 C ATOM 419 C ALA A 27 5.386 7.536 3.741 1.00 0.00 C ATOM 420 O ALA A 27 5.274 8.489 2.966 1.00 0.00 O ATOM 421 CB ALA A 27 6.914 8.452 5.540 1.00 0.00 C ATOM 0 H ALA A 27 8.500 7.969 3.789 1.00 0.00 H new ATOM 0 HA ALA A 27 6.575 6.387 5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.066 8.515 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.822 8.248 6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.023 9.398 5.009 1.00 0.00 H new ATOM 427 N GLY A 28 4.419 6.636 3.933 1.00 0.00 N ATOM 428 CA GLY A 28 3.121 6.704 3.270 1.00 0.00 C ATOM 429 C GLY A 28 3.154 6.252 1.811 1.00 0.00 C ATOM 430 O GLY A 28 2.156 6.407 1.106 1.00 0.00 O ATOM 0 H GLY A 28 4.518 5.836 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.410 6.085 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.752 7.729 3.316 1.00 0.00 H new ATOM 434 N LYS A 29 4.277 5.691 1.347 1.00 0.00 N ATOM 435 CA LYS A 29 4.505 5.292 -0.028 1.00 0.00 C ATOM 436 C LYS A 29 4.894 3.830 -0.064 1.00 0.00 C ATOM 437 O LYS A 29 4.400 3.100 -0.914 1.00 0.00 O ATOM 438 CB LYS A 29 5.612 6.155 -0.633 1.00 0.00 C ATOM 439 CG LYS A 29 5.239 7.639 -0.731 1.00 0.00 C ATOM 440 CD LYS A 29 4.154 7.893 -1.795 1.00 0.00 C ATOM 441 CE LYS A 29 3.979 9.375 -2.160 1.00 0.00 C ATOM 442 NZ LYS A 29 5.116 9.915 -2.954 1.00 0.00 N ATOM 0 H LYS A 29 5.077 5.499 1.950 1.00 0.00 H new ATOM 0 HA LYS A 29 3.595 5.431 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.514 6.053 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.851 5.781 -1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.884 7.988 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.128 8.221 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.404 7.333 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.203 7.503 -1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.056 9.498 -2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.871 9.959 -1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.809 10.767 -3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.900 10.159 -2.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.435 9.198 -3.636 1.00 0.00 H new ATOM 456 N ILE A 30 5.733 3.394 0.874 1.00 0.00 N ATOM 457 CA ILE A 30 6.159 2.012 1.027 1.00 0.00 C ATOM 458 C ILE A 30 6.225 1.661 2.516 1.00 0.00 C ATOM 459 O ILE A 30 6.337 2.539 3.373 1.00 0.00 O ATOM 460 CB ILE A 30 7.461 1.759 0.217 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.647 2.739 0.392 1.00 0.00 C ATOM 462 CG2 ILE A 30 7.104 1.801 -1.274 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.440 2.553 1.680 1.00 0.00 C ATOM 0 H ILE A 30 6.146 4.016 1.569 1.00 0.00 H new ATOM 0 HA ILE A 30 5.432 1.322 0.599 1.00 0.00 H new ATOM 0 HB ILE A 30 7.814 0.805 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.323 2.625 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.266 3.760 0.360 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.001 1.626 -1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.367 1.028 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.690 2.778 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.250 3.281 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.782 2.698 2.537 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.856 1.546 1.709 1.00 0.00 H new ATOM 475 N ALA A 31 6.109 0.366 2.809 1.00 0.00 N ATOM 476 CA ALA A 31 6.268 -0.212 4.141 1.00 0.00 C ATOM 477 C ALA A 31 7.700 -0.726 4.218 1.00 0.00 C ATOM 478 O ALA A 31 8.280 -1.058 3.185 1.00 0.00 O ATOM 479 CB ALA A 31 5.235 -1.320 4.353 1.00 0.00 C ATOM 0 H ALA A 31 5.894 -0.334 2.099 1.00 0.00 H new ATOM 0 HA ALA A 31 6.097 0.518 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.359 -1.747 5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.232 -0.905 4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.378 -2.099 3.604 1.00 0.00 H new ATOM 485 N VAL A 32 8.287 -0.832 5.408 1.00 0.00 N ATOM 486 CA VAL A 32 9.716 -1.066 5.554 1.00 0.00 C ATOM 487 C VAL A 32 10.016 -2.050 6.707 1.00 0.00 C ATOM 488 O VAL A 32 9.293 -2.061 7.711 1.00 0.00 O ATOM 489 CB VAL A 32 10.364 0.327 5.770 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.825 0.320 5.373 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.726 1.494 4.980 1.00 0.00 C ATOM 0 H VAL A 32 7.785 -0.758 6.293 1.00 0.00 H new ATOM 0 HA VAL A 32 10.134 -1.542 4.667 1.00 0.00 H new ATOM 0 HB VAL A 32 10.207 0.500 6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.251 1.310 5.536 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.363 -0.410 5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.914 0.055 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.256 2.419 5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.792 1.289 3.911 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.679 1.597 5.265 1.00 0.00 H new ATOM 501 N THR A 33 11.067 -2.878 6.561 1.00 0.00 N ATOM 502 CA THR A 33 11.448 -3.924 7.526 1.00 0.00 C ATOM 503 C THR A 33 12.959 -4.234 7.417 1.00 0.00 C ATOM 504 O THR A 33 13.543 -4.001 6.359 1.00 0.00 O ATOM 505 CB THR A 33 10.614 -5.208 7.275 1.00 0.00 C ATOM 506 OG1 THR A 33 9.595 -5.064 6.292 1.00 0.00 O ATOM 507 CG2 THR A 33 9.935 -5.707 8.553 1.00 0.00 C ATOM 0 H THR A 33 11.687 -2.837 5.752 1.00 0.00 H new ATOM 0 HA THR A 33 11.242 -3.563 8.534 1.00 0.00 H new ATOM 0 HB THR A 33 11.352 -5.923 6.912 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.001 -4.832 5.431 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.362 -6.607 8.333 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.693 -5.934 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.266 -4.935 8.935 1.00 0.00 H new ATOM 515 N SER A 34 13.604 -4.803 8.447 1.00 0.00 N ATOM 516 CA SER A 34 15.019 -5.213 8.410 1.00 0.00 C ATOM 517 C SER A 34 15.195 -6.633 8.981 1.00 0.00 C ATOM 518 O SER A 34 14.372 -7.063 9.790 1.00 0.00 O ATOM 519 CB SER A 34 15.892 -4.172 9.133 1.00 0.00 C ATOM 520 OG SER A 34 15.336 -3.740 10.368 1.00 0.00 O ATOM 0 H SER A 34 13.153 -4.994 9.341 1.00 0.00 H new ATOM 0 HA SER A 34 15.353 -5.252 7.373 1.00 0.00 H new ATOM 0 HB2 SER A 34 16.879 -4.597 9.315 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.032 -3.309 8.482 1.00 0.00 H new ATOM 0 HG SER A 34 15.538 -4.398 11.066 1.00 0.00 H new ATOM 526 N CYS A 35 16.262 -7.359 8.607 1.00 0.00 N ATOM 527 CA CYS A 35 16.562 -8.692 9.140 1.00 0.00 C ATOM 528 C CYS A 35 18.074 -8.890 9.214 1.00 0.00 C ATOM 529 O CYS A 35 18.790 -8.386 8.352 1.00 0.00 O ATOM 530 CB CYS A 35 15.846 -9.774 8.310 1.00 0.00 C ATOM 531 SG CYS A 35 16.102 -9.635 6.523 1.00 0.00 S ATOM 0 H CYS A 35 16.943 -7.032 7.922 1.00 0.00 H new ATOM 0 HA CYS A 35 16.180 -8.783 10.157 1.00 0.00 H new ATOM 0 HB2 CYS A 35 16.190 -10.754 8.639 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.777 -9.725 8.517 1.00 0.00 H new ATOM 0 HG CYS A 35 15.178 -8.878 6.010 1.00 0.00 H new ATOM 537 N GLY A 36 18.554 -9.624 10.225 1.00 0.00 N ATOM 538 CA GLY A 36 19.978 -9.713 10.565 1.00 0.00 C ATOM 539 C GLY A 36 20.409 -8.401 11.228 1.00 0.00 C ATOM 540 O GLY A 36 20.121 -7.320 10.712 1.00 0.00 O ATOM 0 H GLY A 36 17.956 -10.179 10.837 1.00 0.00 H new ATOM 0 HA2 GLY A 36 20.154 -10.552 11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.570 -9.895 9.668 1.00 0.00 H new ATOM 544 N LEU A 37 21.071 -8.449 12.390 1.00 0.00 N ATOM 545 CA LEU A 37 21.312 -7.258 13.200 1.00 0.00 C ATOM 546 C LEU A 37 22.606 -7.439 14.001 1.00 0.00 C ATOM 547 O LEU A 37 22.631 -7.333 15.224 1.00 0.00 O ATOM 548 CB LEU A 37 20.034 -7.021 14.038 1.00 0.00 C ATOM 549 CG LEU A 37 19.857 -5.556 14.455 1.00 0.00 C ATOM 550 CD1 LEU A 37 19.467 -4.673 13.261 1.00 0.00 C ATOM 551 CD2 LEU A 37 18.745 -5.379 15.498 1.00 0.00 C ATOM 0 H LEU A 37 21.450 -9.308 12.789 1.00 0.00 H new ATOM 0 HA LEU A 37 21.482 -6.357 12.611 1.00 0.00 H new ATOM 0 HB2 LEU A 37 19.164 -7.337 13.462 1.00 0.00 H new ATOM 0 HB3 LEU A 37 20.070 -7.646 14.930 1.00 0.00 H new ATOM 0 HG LEU A 37 20.821 -5.260 14.868 1.00 0.00 H new ATOM 0 HD11 LEU A 37 19.350 -3.642 13.594 1.00 0.00 H new ATOM 0 HD12 LEU A 37 20.247 -4.723 12.501 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.526 -5.027 12.839 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.658 -4.325 15.762 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.799 -5.729 15.084 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.987 -5.957 16.390 1.00 0.00 H new ATOM 563 N GLU A 38 23.673 -7.775 13.268 1.00 0.00 N ATOM 564 CA GLU A 38 24.985 -8.214 13.746 1.00 0.00 C ATOM 565 C GLU A 38 24.866 -9.492 14.586 1.00 0.00 C ATOM 566 O GLU A 38 25.063 -10.590 14.061 1.00 0.00 O ATOM 567 CB GLU A 38 25.728 -7.047 14.427 1.00 0.00 C ATOM 568 CG GLU A 38 27.233 -7.306 14.563 1.00 0.00 C ATOM 569 CD GLU A 38 27.958 -6.094 15.187 1.00 0.00 C ATOM 570 OE1 GLU A 38 28.009 -5.990 16.438 1.00 0.00 O ATOM 571 OE2 GLU A 38 28.477 -5.239 14.428 1.00 0.00 O ATOM 0 H GLU A 38 23.637 -7.744 12.249 1.00 0.00 H new ATOM 0 HA GLU A 38 25.612 -8.499 12.901 1.00 0.00 H new ATOM 0 HB2 GLU A 38 25.571 -6.135 13.851 1.00 0.00 H new ATOM 0 HB3 GLU A 38 25.301 -6.877 15.416 1.00 0.00 H new ATOM 0 HG2 GLU A 38 27.398 -8.188 15.181 1.00 0.00 H new ATOM 0 HG3 GLU A 38 27.657 -7.520 13.582 1.00 0.00 H new ATOM 578 N SER A 39 24.486 -9.352 15.853 1.00 0.00 N ATOM 579 CA SER A 39 24.275 -10.423 16.826 1.00 0.00 C ATOM 580 C SER A 39 23.595 -9.882 18.101 1.00 0.00 C ATOM 581 O SER A 39 23.744 -10.449 19.190 1.00 0.00 O ATOM 582 CB SER A 39 25.611 -11.149 17.112 1.00 0.00 C ATOM 583 OG SER A 39 26.698 -10.247 17.324 1.00 0.00 O ATOM 0 H SER A 39 24.306 -8.431 16.254 1.00 0.00 H new ATOM 0 HA SER A 39 23.592 -11.163 16.409 1.00 0.00 H new ATOM 0 HB2 SER A 39 25.494 -11.782 17.991 1.00 0.00 H new ATOM 0 HB3 SER A 39 25.848 -11.806 16.275 1.00 0.00 H new ATOM 0 HG SER A 39 27.516 -10.757 17.502 1.00 0.00 H new ATOM 589 N SER A 40 22.835 -8.790 17.964 1.00 0.00 N ATOM 590 CA SER A 40 22.287 -8.015 19.077 1.00 0.00 C ATOM 591 C SER A 40 20.849 -7.581 18.767 1.00 0.00 C ATOM 592 O SER A 40 20.421 -7.626 17.613 1.00 0.00 O ATOM 593 CB SER A 40 23.191 -6.792 19.329 1.00 0.00 C ATOM 594 OG SER A 40 24.547 -7.182 19.521 1.00 0.00 O ATOM 0 H SER A 40 22.579 -8.413 17.052 1.00 0.00 H new ATOM 0 HA SER A 40 22.261 -8.630 19.977 1.00 0.00 H new ATOM 0 HB2 SER A 40 23.124 -6.107 18.484 1.00 0.00 H new ATOM 0 HB3 SER A 40 22.838 -6.251 20.207 1.00 0.00 H new ATOM 0 HG SER A 40 25.097 -6.386 19.677 1.00 0.00 H new ATOM 600 N ARG A 41 20.093 -7.154 19.788 1.00 0.00 N ATOM 601 CA ARG A 41 18.724 -6.651 19.590 1.00 0.00 C ATOM 602 C ARG A 41 18.718 -5.247 18.976 1.00 0.00 C ATOM 603 O ARG A 41 17.744 -4.888 18.327 1.00 0.00 O ATOM 604 CB ARG A 41 17.947 -6.657 20.926 1.00 0.00 C ATOM 605 CG ARG A 41 17.254 -7.995 21.243 1.00 0.00 C ATOM 606 CD ARG A 41 18.215 -9.169 21.474 1.00 0.00 C ATOM 607 NE ARG A 41 17.482 -10.391 21.859 1.00 0.00 N ATOM 608 CZ ARG A 41 18.025 -11.564 22.218 1.00 0.00 C ATOM 609 NH1 ARG A 41 19.347 -11.720 22.254 1.00 0.00 N ATOM 610 NH2 ARG A 41 17.235 -12.587 22.541 1.00 0.00 N ATOM 0 H ARG A 41 20.405 -7.146 20.759 1.00 0.00 H new ATOM 0 HA ARG A 41 18.227 -7.321 18.888 1.00 0.00 H new ATOM 0 HB2 ARG A 41 18.636 -6.416 21.736 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.196 -5.868 20.901 1.00 0.00 H new ATOM 0 HG2 ARG A 41 16.635 -7.868 22.131 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.584 -8.247 20.421 1.00 0.00 H new ATOM 0 HD2 ARG A 41 18.789 -9.357 20.566 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.930 -8.909 22.255 1.00 0.00 H new ATOM 0 HE ARG A 41 16.463 -10.338 21.851 1.00 0.00 H new ATOM 0 HH11 ARG A 41 19.959 -10.942 22.007 1.00 0.00 H new ATOM 0 HH12 ARG A 41 19.747 -12.617 22.529 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.221 -12.477 22.515 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.644 -13.481 22.814 1.00 0.00 H new ATOM 624 N VAL A 42 19.784 -4.467 19.166 1.00 0.00 N ATOM 625 CA VAL A 42 19.998 -3.120 18.635 1.00 0.00 C ATOM 626 C VAL A 42 21.450 -2.743 18.952 1.00 0.00 C ATOM 627 O VAL A 42 22.134 -3.484 19.666 1.00 0.00 O ATOM 628 CB VAL A 42 18.902 -2.150 19.185 1.00 0.00 C ATOM 629 CG1 VAL A 42 19.357 -1.145 20.257 1.00 0.00 C ATOM 630 CG2 VAL A 42 18.204 -1.430 18.024 1.00 0.00 C ATOM 0 H VAL A 42 20.572 -4.781 19.732 1.00 0.00 H new ATOM 0 HA VAL A 42 19.881 -3.057 17.553 1.00 0.00 H new ATOM 0 HB VAL A 42 18.204 -2.797 19.716 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.511 -0.528 20.560 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.740 -1.685 21.123 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.142 -0.509 19.849 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.443 -0.757 18.418 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.938 -0.856 17.458 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.735 -2.165 17.370 1.00 0.00 H new ATOM 640 N HIS A 43 21.938 -1.621 18.413 1.00 0.00 N ATOM 641 CA HIS A 43 23.339 -1.231 18.509 1.00 0.00 C ATOM 642 C HIS A 43 23.409 0.284 18.749 1.00 0.00 C ATOM 643 O HIS A 43 23.056 1.051 17.851 1.00 0.00 O ATOM 644 CB HIS A 43 24.020 -1.660 17.211 1.00 0.00 C ATOM 645 CG HIS A 43 25.509 -1.437 17.227 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.422 -2.054 18.054 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.202 -0.550 16.452 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.636 -1.546 17.786 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.552 -0.624 16.807 1.00 0.00 N ATOM 0 H HIS A 43 21.363 -0.956 17.895 1.00 0.00 H new ATOM 0 HA HIS A 43 23.854 -1.711 19.341 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.818 -2.716 17.033 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.584 -1.108 16.379 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.780 0.096 15.696 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.549 -1.835 18.284 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.320 -0.087 16.405 1.00 0.00 H new ATOM 657 N PRO A 44 23.863 0.753 19.925 1.00 0.00 N ATOM 658 CA PRO A 44 23.753 2.154 20.328 1.00 0.00 C ATOM 659 C PRO A 44 24.558 3.090 19.433 1.00 0.00 C ATOM 660 O PRO A 44 24.147 4.233 19.234 1.00 0.00 O ATOM 661 CB PRO A 44 24.258 2.204 21.773 1.00 0.00 C ATOM 662 CG PRO A 44 25.290 1.085 21.782 1.00 0.00 C ATOM 663 CD PRO A 44 24.584 0.015 20.951 1.00 0.00 C ATOM 0 HA PRO A 44 22.723 2.498 20.239 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.700 3.170 22.018 1.00 0.00 H new ATOM 0 HB3 PRO A 44 23.458 2.028 22.492 1.00 0.00 H new ATOM 0 HG2 PRO A 44 26.235 1.394 21.335 1.00 0.00 H new ATOM 0 HG3 PRO A 44 25.513 0.740 22.792 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.300 -0.678 20.509 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.904 -0.576 21.564 1.00 0.00 H new ATOM 671 N THR A 45 25.672 2.626 18.857 1.00 0.00 N ATOM 672 CA THR A 45 26.471 3.476 17.990 1.00 0.00 C ATOM 673 C THR A 45 25.654 3.832 16.747 1.00 0.00 C ATOM 674 O THR A 45 25.693 4.978 16.302 1.00 0.00 O ATOM 675 CB THR A 45 27.808 2.801 17.633 1.00 0.00 C ATOM 676 OG1 THR A 45 28.398 2.269 18.811 1.00 0.00 O ATOM 677 CG2 THR A 45 28.772 3.804 16.987 1.00 0.00 C ATOM 0 H THR A 45 26.031 1.679 18.977 1.00 0.00 H new ATOM 0 HA THR A 45 26.723 4.399 18.513 1.00 0.00 H new ATOM 0 HB THR A 45 27.612 2.000 16.920 1.00 0.00 H new ATOM 0 HG1 THR A 45 29.248 1.838 18.585 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.709 3.303 16.744 1.00 0.00 H new ATOM 0 HG22 THR A 45 28.326 4.202 16.075 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.967 4.621 17.682 1.00 0.00 H new ATOM 685 N ALA A 46 24.848 2.893 16.218 1.00 0.00 N ATOM 686 CA ALA A 46 23.994 3.203 15.081 1.00 0.00 C ATOM 687 C ALA A 46 22.967 4.241 15.522 1.00 0.00 C ATOM 688 O ALA A 46 22.793 5.237 14.832 1.00 0.00 O ATOM 689 CB ALA A 46 23.334 1.944 14.493 1.00 0.00 C ATOM 0 H ALA A 46 24.777 1.934 16.559 1.00 0.00 H new ATOM 0 HA ALA A 46 24.599 3.615 14.273 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.706 2.224 13.647 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.106 1.251 14.158 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.722 1.464 15.256 1.00 0.00 H new ATOM 695 N ILE A 47 22.364 4.073 16.699 1.00 0.00 N ATOM 696 CA ILE A 47 21.358 5.014 17.194 1.00 0.00 C ATOM 697 C ILE A 47 21.956 6.418 17.250 1.00 0.00 C ATOM 698 O ILE A 47 21.349 7.344 16.723 1.00 0.00 O ATOM 699 CB ILE A 47 20.799 4.590 18.559 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.716 3.513 18.445 1.00 0.00 C ATOM 701 CG2 ILE A 47 20.186 5.752 19.369 1.00 0.00 C ATOM 702 CD1 ILE A 47 20.153 2.111 18.063 1.00 0.00 C ATOM 0 H ILE A 47 22.555 3.293 17.328 1.00 0.00 H new ATOM 0 HA ILE A 47 20.516 5.014 16.502 1.00 0.00 H new ATOM 0 HB ILE A 47 21.676 4.204 19.079 1.00 0.00 H new ATOM 0 HG12 ILE A 47 19.200 3.454 19.403 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.985 3.849 17.709 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.812 5.375 20.321 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.948 6.509 19.553 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.364 6.194 18.806 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.282 1.457 18.021 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.637 2.134 17.087 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.855 1.733 18.807 1.00 0.00 H new ATOM 714 N ALA A 48 23.142 6.583 17.842 1.00 0.00 N ATOM 715 CA ALA A 48 23.751 7.897 17.987 1.00 0.00 C ATOM 716 C ALA A 48 24.007 8.530 16.621 1.00 0.00 C ATOM 717 O ALA A 48 23.728 9.706 16.416 1.00 0.00 O ATOM 718 CB ALA A 48 25.051 7.790 18.779 1.00 0.00 C ATOM 0 H ALA A 48 23.696 5.818 18.227 1.00 0.00 H new ATOM 0 HA ALA A 48 23.060 8.539 18.533 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.497 8.779 18.881 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.842 7.383 19.768 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.744 7.132 18.254 1.00 0.00 H new ATOM 724 N MET A 49 24.493 7.741 15.668 1.00 0.00 N ATOM 725 CA MET A 49 24.745 8.198 14.310 1.00 0.00 C ATOM 726 C MET A 49 23.466 8.624 13.612 1.00 0.00 C ATOM 727 O MET A 49 23.539 9.432 12.683 1.00 0.00 O ATOM 728 CB MET A 49 25.428 7.087 13.516 1.00 0.00 C ATOM 729 CG MET A 49 26.822 6.789 14.066 1.00 0.00 C ATOM 730 SD MET A 49 28.092 7.965 13.535 1.00 0.00 S ATOM 731 CE MET A 49 28.283 8.921 15.062 1.00 0.00 C ATOM 0 H MET A 49 24.724 6.759 15.820 1.00 0.00 H new ATOM 0 HA MET A 49 25.396 9.070 14.363 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.819 6.184 13.553 1.00 0.00 H new ATOM 0 HB3 MET A 49 25.503 7.379 12.468 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.778 6.785 15.155 1.00 0.00 H new ATOM 0 HG3 MET A 49 27.117 5.787 13.755 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.180 9.536 14.996 1.00 0.00 H new ATOM 0 HE2 MET A 49 27.413 9.563 15.201 1.00 0.00 H new ATOM 0 HE3 MET A 49 28.371 8.240 15.909 1.00 0.00 H new ATOM 741 N MET A 50 22.311 8.112 14.027 1.00 0.00 N ATOM 742 CA MET A 50 21.053 8.414 13.365 1.00 0.00 C ATOM 743 C MET A 50 20.393 9.571 14.101 1.00 0.00 C ATOM 744 O MET A 50 19.782 10.432 13.474 1.00 0.00 O ATOM 745 CB MET A 50 20.165 7.166 13.318 1.00 0.00 C ATOM 746 CG MET A 50 20.814 5.938 12.660 1.00 0.00 C ATOM 747 SD MET A 50 22.411 6.174 11.791 1.00 0.00 S ATOM 748 CE MET A 50 22.985 4.469 11.675 1.00 0.00 C ATOM 0 H MET A 50 22.224 7.482 14.825 1.00 0.00 H new ATOM 0 HA MET A 50 21.221 8.712 12.330 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.875 6.905 14.336 1.00 0.00 H new ATOM 0 HB3 MET A 50 19.250 7.409 12.778 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.962 5.184 13.433 1.00 0.00 H new ATOM 0 HG3 MET A 50 20.102 5.526 11.945 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.851 4.332 12.323 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.188 3.795 11.987 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.264 4.248 10.645 1.00 0.00 H new ATOM 758 N GLU A 51 20.606 9.669 15.411 1.00 0.00 N ATOM 759 CA GLU A 51 20.232 10.809 16.222 1.00 0.00 C ATOM 760 C GLU A 51 20.951 12.069 15.722 1.00 0.00 C ATOM 761 O GLU A 51 20.356 13.147 15.686 1.00 0.00 O ATOM 762 CB GLU A 51 20.557 10.482 17.690 1.00 0.00 C ATOM 763 CG GLU A 51 20.091 11.584 18.648 1.00 0.00 C ATOM 764 CD GLU A 51 20.321 11.186 20.118 1.00 0.00 C ATOM 765 OE1 GLU A 51 21.465 11.320 20.618 1.00 0.00 O ATOM 766 OE2 GLU A 51 19.354 10.753 20.792 1.00 0.00 O ATOM 0 H GLU A 51 21.059 8.929 15.948 1.00 0.00 H new ATOM 0 HA GLU A 51 19.164 11.012 16.144 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.081 9.540 17.964 1.00 0.00 H new ATOM 0 HB3 GLU A 51 21.632 10.340 17.799 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.628 12.507 18.431 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.032 11.785 18.486 1.00 0.00 H new ATOM 773 N GLU A 52 22.184 11.917 15.231 1.00 0.00 N ATOM 774 CA GLU A 52 22.974 12.963 14.591 1.00 0.00 C ATOM 775 C GLU A 52 22.328 13.471 13.282 1.00 0.00 C ATOM 776 O GLU A 52 22.766 14.496 12.756 1.00 0.00 O ATOM 777 CB GLU A 52 24.413 12.453 14.360 1.00 0.00 C ATOM 778 CG GLU A 52 25.311 12.519 15.609 1.00 0.00 C ATOM 779 CD GLU A 52 25.724 13.964 15.944 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.719 14.454 15.355 1.00 0.00 O ATOM 781 OE2 GLU A 52 25.074 14.611 16.800 1.00 0.00 O ATOM 0 H GLU A 52 22.676 11.024 15.272 1.00 0.00 H new ATOM 0 HA GLU A 52 23.007 13.824 15.259 1.00 0.00 H new ATOM 0 HB2 GLU A 52 24.370 11.421 14.011 1.00 0.00 H new ATOM 0 HB3 GLU A 52 24.872 13.040 13.564 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.783 12.086 16.459 1.00 0.00 H new ATOM 0 HG3 GLU A 52 26.204 11.915 15.447 1.00 0.00 H new ATOM 788 N VAL A 53 21.277 12.816 12.767 1.00 0.00 N ATOM 789 CA VAL A 53 20.472 13.248 11.628 1.00 0.00 C ATOM 790 C VAL A 53 18.964 13.232 11.967 1.00 0.00 C ATOM 791 O VAL A 53 18.124 13.354 11.072 1.00 0.00 O ATOM 792 CB VAL A 53 20.838 12.423 10.373 1.00 0.00 C ATOM 793 CG1 VAL A 53 22.157 12.918 9.764 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.917 10.903 10.574 1.00 0.00 C ATOM 0 H VAL A 53 20.955 11.930 13.156 1.00 0.00 H new ATOM 0 HA VAL A 53 20.704 14.287 11.396 1.00 0.00 H new ATOM 0 HB VAL A 53 20.001 12.589 9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 53 22.396 12.324 8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 53 22.056 13.965 9.480 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.957 12.817 10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.180 10.424 9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 53 21.676 10.674 11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.950 10.530 10.913 1.00 0.00 H new ATOM 804 N GLY A 54 18.605 13.134 13.254 1.00 0.00 N ATOM 805 CA GLY A 54 17.225 13.206 13.712 1.00 0.00 C ATOM 806 C GLY A 54 16.384 12.005 13.268 1.00 0.00 C ATOM 807 O GLY A 54 15.206 12.173 12.939 1.00 0.00 O ATOM 0 H GLY A 54 19.278 13.001 14.009 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.212 13.269 14.800 1.00 0.00 H new ATOM 0 HA3 GLY A 54 16.770 14.121 13.334 1.00 0.00 H new ATOM 811 N ILE A 55 16.970 10.804 13.263 1.00 0.00 N ATOM 812 CA ILE A 55 16.307 9.535 12.989 1.00 0.00 C ATOM 813 C ILE A 55 16.484 8.659 14.237 1.00 0.00 C ATOM 814 O ILE A 55 17.456 8.807 14.981 1.00 0.00 O ATOM 815 CB ILE A 55 16.807 8.900 11.668 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.534 9.908 10.532 1.00 0.00 C ATOM 817 CG2 ILE A 55 16.120 7.535 11.403 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.731 9.320 9.144 1.00 0.00 C ATOM 0 H ILE A 55 17.964 10.690 13.459 1.00 0.00 H new ATOM 0 HA ILE A 55 15.240 9.667 12.812 1.00 0.00 H new ATOM 0 HB ILE A 55 17.875 8.692 11.729 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.512 10.277 10.621 1.00 0.00 H new ATOM 0 HG13 ILE A 55 17.194 10.767 10.652 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.493 7.116 10.468 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.342 6.851 12.222 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.042 7.678 11.332 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.523 10.082 8.393 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.760 8.977 9.037 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.052 8.479 9.005 1.00 0.00 H new ATOM 830 N ASP A 56 15.550 7.736 14.461 1.00 0.00 N ATOM 831 CA ASP A 56 15.508 6.865 15.634 1.00 0.00 C ATOM 832 C ASP A 56 15.390 5.432 15.134 1.00 0.00 C ATOM 833 O ASP A 56 14.482 5.138 14.352 1.00 0.00 O ATOM 834 CB ASP A 56 14.305 7.240 16.512 1.00 0.00 C ATOM 835 CG ASP A 56 14.190 6.351 17.766 1.00 0.00 C ATOM 836 OD1 ASP A 56 13.870 5.144 17.642 1.00 0.00 O ATOM 837 OD2 ASP A 56 14.386 6.878 18.886 1.00 0.00 O ATOM 0 H ASP A 56 14.780 7.569 13.813 1.00 0.00 H new ATOM 0 HA ASP A 56 16.408 6.975 16.239 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.393 8.283 16.817 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.390 7.155 15.925 1.00 0.00 H new ATOM 842 N ILE A 57 16.314 4.560 15.547 1.00 0.00 N ATOM 843 CA ILE A 57 16.290 3.130 15.243 1.00 0.00 C ATOM 844 C ILE A 57 16.459 2.284 16.522 1.00 0.00 C ATOM 845 O ILE A 57 16.664 1.080 16.448 1.00 0.00 O ATOM 846 CB ILE A 57 17.247 2.803 14.064 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.744 3.071 14.339 1.00 0.00 C ATOM 848 CG2 ILE A 57 16.837 3.562 12.782 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.654 2.666 13.168 1.00 0.00 C ATOM 0 H ILE A 57 17.116 4.836 16.114 1.00 0.00 H new ATOM 0 HA ILE A 57 15.306 2.839 14.875 1.00 0.00 H new ATOM 0 HB ILE A 57 17.140 1.726 13.932 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.884 4.131 14.551 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.047 2.525 15.232 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.526 3.312 11.975 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.825 3.275 12.497 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.871 4.635 12.968 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.692 2.879 13.423 1.00 0.00 H new ATOM 0 HD12 ILE A 57 19.540 1.600 12.971 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.376 3.231 12.279 1.00 0.00 H new ATOM 861 N SER A 58 16.337 2.891 17.704 1.00 0.00 N ATOM 862 CA SER A 58 16.501 2.261 19.011 1.00 0.00 C ATOM 863 C SER A 58 15.293 1.436 19.447 1.00 0.00 C ATOM 864 O SER A 58 15.461 0.433 20.142 1.00 0.00 O ATOM 865 CB SER A 58 16.783 3.334 20.071 1.00 0.00 C ATOM 866 OG SER A 58 16.980 4.632 19.511 1.00 0.00 O ATOM 0 H SER A 58 16.110 3.883 17.777 1.00 0.00 H new ATOM 0 HA SER A 58 17.341 1.573 18.916 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.951 3.370 20.774 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.669 3.051 20.640 1.00 0.00 H new ATOM 0 HG SER A 58 17.154 5.275 20.230 1.00 0.00 H new ATOM 872 N GLY A 59 14.086 1.833 19.034 1.00 0.00 N ATOM 873 CA GLY A 59 12.872 1.085 19.341 1.00 0.00 C ATOM 874 C GLY A 59 12.783 -0.214 18.539 1.00 0.00 C ATOM 875 O GLY A 59 11.891 -1.029 18.786 1.00 0.00 O ATOM 0 H GLY A 59 13.927 2.676 18.482 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.847 0.856 20.406 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.001 1.704 19.127 1.00 0.00 H new ATOM 879 N GLN A 60 13.671 -0.399 17.556 1.00 0.00 N ATOM 880 CA GLN A 60 13.641 -1.510 16.630 1.00 0.00 C ATOM 881 C GLN A 60 14.301 -2.746 17.220 1.00 0.00 C ATOM 882 O GLN A 60 15.155 -2.675 18.103 1.00 0.00 O ATOM 883 CB GLN A 60 14.342 -1.123 15.312 1.00 0.00 C ATOM 884 CG GLN A 60 13.535 -0.010 14.640 1.00 0.00 C ATOM 885 CD GLN A 60 14.057 0.446 13.281 1.00 0.00 C ATOM 886 OE1 GLN A 60 14.159 1.647 13.057 1.00 0.00 O ATOM 887 NE2 GLN A 60 14.346 -0.437 12.341 1.00 0.00 N ATOM 0 H GLN A 60 14.446 0.243 17.388 1.00 0.00 H new ATOM 0 HA GLN A 60 12.596 -1.747 16.431 1.00 0.00 H new ATOM 0 HB2 GLN A 60 15.360 -0.786 15.509 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.414 -1.989 14.653 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.507 -0.352 14.520 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.509 0.851 15.308 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.259 -1.435 12.534 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.656 -0.121 11.422 1.00 0.00 H new ATOM 896 N THR A 61 13.926 -3.868 16.625 1.00 0.00 N ATOM 897 CA THR A 61 14.492 -5.190 16.765 1.00 0.00 C ATOM 898 C THR A 61 14.335 -5.855 15.396 1.00 0.00 C ATOM 899 O THR A 61 13.512 -5.425 14.576 1.00 0.00 O ATOM 900 CB THR A 61 13.799 -6.001 17.885 1.00 0.00 C ATOM 901 OG1 THR A 61 12.405 -5.722 17.975 1.00 0.00 O ATOM 902 CG2 THR A 61 14.458 -5.701 19.229 1.00 0.00 C ATOM 0 H THR A 61 13.143 -3.870 15.971 1.00 0.00 H new ATOM 0 HA THR A 61 15.540 -5.141 17.062 1.00 0.00 H new ATOM 0 HB THR A 61 13.913 -7.055 17.633 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.010 -6.258 18.694 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.964 -6.276 20.013 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.512 -5.976 19.187 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.369 -4.637 19.449 1.00 0.00 H new ATOM 910 N SER A 62 15.139 -6.880 15.124 1.00 0.00 N ATOM 911 CA SER A 62 15.138 -7.601 13.860 1.00 0.00 C ATOM 912 C SER A 62 15.510 -9.066 14.141 1.00 0.00 C ATOM 913 O SER A 62 15.959 -9.398 15.241 1.00 0.00 O ATOM 914 CB SER A 62 16.098 -6.901 12.886 1.00 0.00 C ATOM 915 OG SER A 62 15.772 -5.521 12.730 1.00 0.00 O ATOM 0 H SER A 62 15.822 -7.237 15.792 1.00 0.00 H new ATOM 0 HA SER A 62 14.156 -7.599 13.387 1.00 0.00 H new ATOM 0 HB2 SER A 62 17.121 -6.995 13.251 1.00 0.00 H new ATOM 0 HB3 SER A 62 16.059 -7.397 11.916 1.00 0.00 H new ATOM 0 HG SER A 62 14.923 -5.332 13.182 1.00 0.00 H new ATOM 921 N ASP A 63 15.319 -9.938 13.152 1.00 0.00 N ATOM 922 CA ASP A 63 15.398 -11.401 13.285 1.00 0.00 C ATOM 923 C ASP A 63 16.048 -11.942 11.996 1.00 0.00 C ATOM 924 O ASP A 63 16.122 -11.174 11.032 1.00 0.00 O ATOM 925 CB ASP A 63 13.954 -11.894 13.509 1.00 0.00 C ATOM 926 CG ASP A 63 13.846 -13.186 14.339 1.00 0.00 C ATOM 927 OD1 ASP A 63 14.430 -13.248 15.447 1.00 0.00 O ATOM 928 OD2 ASP A 63 13.127 -14.125 13.920 1.00 0.00 O ATOM 0 H ASP A 63 15.097 -9.640 12.202 1.00 0.00 H new ATOM 0 HA ASP A 63 16.006 -11.747 14.121 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.388 -11.108 14.008 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.485 -12.059 12.539 1.00 0.00 H new ATOM 933 N PRO A 64 16.588 -13.174 11.915 1.00 0.00 N ATOM 934 CA PRO A 64 17.388 -13.586 10.760 1.00 0.00 C ATOM 935 C PRO A 64 16.549 -13.823 9.499 1.00 0.00 C ATOM 936 O PRO A 64 15.330 -14.000 9.558 1.00 0.00 O ATOM 937 CB PRO A 64 18.145 -14.841 11.206 1.00 0.00 C ATOM 938 CG PRO A 64 17.252 -15.433 12.289 1.00 0.00 C ATOM 939 CD PRO A 64 16.637 -14.202 12.946 1.00 0.00 C ATOM 0 HA PRO A 64 18.075 -12.793 10.465 1.00 0.00 H new ATOM 0 HB2 PRO A 64 18.288 -15.537 10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.135 -14.596 11.592 1.00 0.00 H new ATOM 0 HG2 PRO A 64 16.489 -16.088 11.868 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.824 -16.027 13.002 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.639 -14.421 13.326 1.00 0.00 H new ATOM 0 HD3 PRO A 64 17.236 -13.874 13.795 1.00 0.00 H new ATOM 947 N ILE A 65 17.236 -13.877 8.349 1.00 0.00 N ATOM 948 CA ILE A 65 16.645 -13.968 7.012 1.00 0.00 C ATOM 949 C ILE A 65 15.741 -15.190 6.893 1.00 0.00 C ATOM 950 O ILE A 65 14.706 -15.150 6.238 1.00 0.00 O ATOM 951 CB ILE A 65 17.782 -13.979 5.950 1.00 0.00 C ATOM 952 CG1 ILE A 65 17.206 -13.922 4.515 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.754 -15.170 6.128 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.237 -14.031 3.388 1.00 0.00 C ATOM 0 H ILE A 65 18.256 -13.858 8.327 1.00 0.00 H new ATOM 0 HA ILE A 65 16.014 -13.097 6.834 1.00 0.00 H new ATOM 0 HB ILE A 65 18.372 -13.077 6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.481 -14.728 4.400 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.662 -12.985 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.526 -15.127 5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.218 -15.117 7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 65 18.203 -16.106 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 65 17.730 -13.980 2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 65 18.950 -13.210 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 65 18.766 -14.980 3.470 1.00 0.00 H new ATOM 966 N GLU A 66 16.132 -16.278 7.548 1.00 0.00 N ATOM 967 CA GLU A 66 15.512 -17.577 7.375 1.00 0.00 C ATOM 968 C GLU A 66 14.114 -17.653 7.999 1.00 0.00 C ATOM 969 O GLU A 66 13.326 -18.528 7.627 1.00 0.00 O ATOM 970 CB GLU A 66 16.483 -18.639 7.908 1.00 0.00 C ATOM 971 CG GLU A 66 16.699 -18.579 9.427 1.00 0.00 C ATOM 972 CD GLU A 66 17.673 -19.680 9.890 1.00 0.00 C ATOM 973 OE1 GLU A 66 17.217 -20.806 10.209 1.00 0.00 O ATOM 974 OE2 GLU A 66 18.901 -19.424 9.953 1.00 0.00 O ATOM 0 H GLU A 66 16.898 -16.277 8.221 1.00 0.00 H new ATOM 0 HA GLU A 66 15.332 -17.764 6.316 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.106 -19.627 7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 66 17.445 -18.521 7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.092 -17.601 9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 66 15.744 -18.695 9.939 1.00 0.00 H new ATOM 981 N ASN A 67 13.784 -16.731 8.914 1.00 0.00 N ATOM 982 CA ASN A 67 12.436 -16.577 9.430 1.00 0.00 C ATOM 983 C ASN A 67 11.560 -15.738 8.479 1.00 0.00 C ATOM 984 O ASN A 67 10.335 -15.780 8.610 1.00 0.00 O ATOM 985 CB ASN A 67 12.450 -16.021 10.869 1.00 0.00 C ATOM 986 CG ASN A 67 11.900 -14.602 10.966 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.752 -14.371 11.342 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.707 -13.629 10.589 1.00 0.00 N ATOM 0 H ASN A 67 14.454 -16.073 9.312 1.00 0.00 H new ATOM 0 HA ASN A 67 11.979 -17.565 9.479 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.863 -16.677 11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.472 -16.035 11.248 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.383 -12.662 10.606 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.655 -13.844 10.281 1.00 0.00 H new ATOM 995 N PHE A 68 12.151 -14.995 7.532 1.00 0.00 N ATOM 996 CA PHE A 68 11.438 -14.123 6.611 1.00 0.00 C ATOM 997 C PHE A 68 11.183 -14.832 5.275 1.00 0.00 C ATOM 998 O PHE A 68 11.713 -15.915 5.005 1.00 0.00 O ATOM 999 CB PHE A 68 12.186 -12.787 6.439 1.00 0.00 C ATOM 1000 CG PHE A 68 11.993 -11.839 7.607 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.753 -11.201 7.788 1.00 0.00 C ATOM 1002 CD2 PHE A 68 13.034 -11.606 8.524 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.550 -10.334 8.878 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.827 -10.744 9.619 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.589 -10.102 9.794 1.00 0.00 C ATOM 0 H PHE A 68 13.161 -14.989 7.389 1.00 0.00 H new ATOM 0 HA PHE A 68 10.461 -13.888 7.033 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.250 -12.987 6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.844 -12.302 5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.951 -11.377 7.086 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.991 -12.088 8.389 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.595 -9.847 9.010 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.624 -10.576 10.328 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.437 -9.434 10.629 1.00 0.00 H new ATOM 1015 N ASN A 69 10.339 -14.216 4.442 1.00 0.00 N ATOM 1016 CA ASN A 69 9.789 -14.781 3.231 1.00 0.00 C ATOM 1017 C ASN A 69 9.687 -13.606 2.270 1.00 0.00 C ATOM 1018 O ASN A 69 8.728 -12.840 2.366 1.00 0.00 O ATOM 1019 CB ASN A 69 8.421 -15.374 3.606 1.00 0.00 C ATOM 1020 CG ASN A 69 7.587 -15.823 2.419 1.00 0.00 C ATOM 1021 OD1 ASN A 69 7.441 -17.004 2.115 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.937 -14.850 1.829 1.00 0.00 N ATOM 0 H ASN A 69 10.012 -13.265 4.612 1.00 0.00 H new ATOM 0 HA ASN A 69 10.377 -15.575 2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.577 -16.226 4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.858 -14.630 4.170 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.275 -15.059 1.081 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.093 -13.884 2.117 1.00 0.00 H new ATOM 1029 N ALA A 70 10.700 -13.381 1.428 1.00 0.00 N ATOM 1030 CA ALA A 70 10.685 -12.312 0.441 1.00 0.00 C ATOM 1031 C ALA A 70 9.450 -12.331 -0.447 1.00 0.00 C ATOM 1032 O ALA A 70 9.080 -11.291 -0.980 1.00 0.00 O ATOM 1033 CB ALA A 70 11.872 -12.432 -0.492 1.00 0.00 C ATOM 0 H ALA A 70 11.553 -13.940 1.416 1.00 0.00 H new ATOM 0 HA ALA A 70 10.705 -11.390 1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.843 -11.624 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.795 -12.368 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.833 -13.391 -1.009 1.00 0.00 H new ATOM 1039 N ASP A 71 8.819 -13.487 -0.617 1.00 0.00 N ATOM 1040 CA ASP A 71 7.560 -13.594 -1.338 1.00 0.00 C ATOM 1041 C ASP A 71 6.495 -12.645 -0.749 1.00 0.00 C ATOM 1042 O ASP A 71 5.575 -12.236 -1.464 1.00 0.00 O ATOM 1043 CB ASP A 71 7.097 -15.055 -1.417 1.00 0.00 C ATOM 1044 CG ASP A 71 5.570 -15.198 -1.355 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.032 -15.255 -0.223 1.00 0.00 O ATOM 1046 OD2 ASP A 71 4.922 -15.297 -2.423 1.00 0.00 O ATOM 0 H ASP A 71 9.167 -14.376 -0.258 1.00 0.00 H new ATOM 0 HA ASP A 71 7.717 -13.266 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.462 -15.498 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.544 -15.618 -0.598 1.00 0.00 H new ATOM 1051 N ASP A 72 6.661 -12.234 0.511 1.00 0.00 N ATOM 1052 CA ASP A 72 5.783 -11.320 1.224 1.00 0.00 C ATOM 1053 C ASP A 72 6.312 -9.869 1.259 1.00 0.00 C ATOM 1054 O ASP A 72 5.701 -9.025 1.913 1.00 0.00 O ATOM 1055 CB ASP A 72 5.524 -11.855 2.642 1.00 0.00 C ATOM 1056 CG ASP A 72 4.365 -11.112 3.334 1.00 0.00 C ATOM 1057 OD1 ASP A 72 3.222 -11.152 2.815 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.570 -10.543 4.433 1.00 0.00 O ATOM 0 H ASP A 72 7.447 -12.546 1.081 1.00 0.00 H new ATOM 0 HA ASP A 72 4.843 -11.275 0.674 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.294 -12.919 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.430 -11.752 3.240 1.00 0.00 H new ATOM 1063 N TYR A 73 7.405 -9.529 0.555 1.00 0.00 N ATOM 1064 CA TYR A 73 7.946 -8.176 0.521 1.00 0.00 C ATOM 1065 C TYR A 73 8.326 -7.834 -0.906 1.00 0.00 C ATOM 1066 O TYR A 73 9.249 -8.420 -1.464 1.00 0.00 O ATOM 1067 CB TYR A 73 9.146 -7.974 1.453 1.00 0.00 C ATOM 1068 CG TYR A 73 8.911 -8.399 2.882 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.920 -9.765 3.192 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.627 -7.454 3.879 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.545 -10.216 4.466 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.284 -7.887 5.173 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.200 -9.271 5.462 1.00 0.00 C ATOM 1074 OH TYR A 73 7.766 -9.667 6.693 1.00 0.00 O ATOM 0 H TYR A 73 7.935 -10.195 -0.007 1.00 0.00 H new ATOM 0 HA TYR A 73 7.168 -7.505 0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.995 -8.532 1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.424 -6.920 1.442 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.220 -10.480 2.440 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.671 -6.399 3.654 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.520 -11.273 4.685 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.084 -7.162 5.948 1.00 0.00 H new ATOM 0 HH TYR A 73 8.528 -9.981 7.223 1.00 0.00 H new ATOM 1084 N ASP A 74 7.614 -6.872 -1.488 1.00 0.00 N ATOM 1085 CA ASP A 74 7.685 -6.569 -2.913 1.00 0.00 C ATOM 1086 C ASP A 74 9.064 -6.104 -3.372 1.00 0.00 C ATOM 1087 O ASP A 74 9.325 -6.091 -4.573 1.00 0.00 O ATOM 1088 CB ASP A 74 6.676 -5.467 -3.274 1.00 0.00 C ATOM 1089 CG ASP A 74 5.264 -5.730 -2.731 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.048 -5.460 -1.525 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.386 -6.192 -3.499 1.00 0.00 O ATOM 0 H ASP A 74 6.964 -6.275 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 74 7.456 -7.506 -3.421 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.035 -4.514 -2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.628 -5.370 -4.359 1.00 0.00 H new ATOM 1096 N VAL A 75 9.943 -5.681 -2.471 1.00 0.00 N ATOM 1097 CA VAL A 75 11.210 -5.043 -2.797 1.00 0.00 C ATOM 1098 C VAL A 75 12.189 -5.537 -1.733 1.00 0.00 C ATOM 1099 O VAL A 75 11.949 -5.343 -0.540 1.00 0.00 O ATOM 1100 CB VAL A 75 10.956 -3.526 -2.795 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.154 -2.570 -2.647 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.083 -3.035 -3.952 1.00 0.00 C ATOM 0 H VAL A 75 9.789 -5.775 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 75 11.629 -5.281 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 75 10.422 -3.462 -1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.801 -1.539 -2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.660 -2.764 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.851 -2.730 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.953 -1.955 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.565 -3.277 -4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.109 -3.522 -3.905 1.00 0.00 H new ATOM 1112 N VAL A 76 13.293 -6.179 -2.112 1.00 0.00 N ATOM 1113 CA VAL A 76 14.195 -6.762 -1.142 1.00 0.00 C ATOM 1114 C VAL A 76 15.604 -6.303 -1.450 1.00 0.00 C ATOM 1115 O VAL A 76 16.061 -6.335 -2.592 1.00 0.00 O ATOM 1116 CB VAL A 76 14.044 -8.292 -1.097 1.00 0.00 C ATOM 1117 CG1 VAL A 76 12.726 -8.705 -0.426 1.00 0.00 C ATOM 1118 CG2 VAL A 76 14.127 -8.994 -2.456 1.00 0.00 C ATOM 0 H VAL A 76 13.577 -6.304 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 76 13.946 -6.419 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 76 14.904 -8.618 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.651 -9.792 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.703 -8.325 0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.887 -8.291 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.009 -10.069 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.335 -8.623 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.096 -8.791 -2.912 1.00 0.00 H new ATOM 1128 N ILE A 77 16.268 -5.841 -0.402 1.00 0.00 N ATOM 1129 CA ILE A 77 17.537 -5.169 -0.466 1.00 0.00 C ATOM 1130 C ILE A 77 18.391 -5.966 0.489 1.00 0.00 C ATOM 1131 O ILE A 77 18.286 -5.832 1.704 1.00 0.00 O ATOM 1132 CB ILE A 77 17.367 -3.688 -0.081 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.276 -2.970 -0.908 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.714 -2.967 -0.204 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.510 -2.973 -2.426 1.00 0.00 C ATOM 0 H ILE A 77 15.915 -5.933 0.551 1.00 0.00 H new ATOM 0 HA ILE A 77 17.993 -5.133 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 77 17.028 -3.656 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.315 -3.441 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.204 -1.937 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.592 -1.919 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.439 -3.434 0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.071 -3.035 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.694 -2.447 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.452 -2.473 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.550 -4.001 -2.786 1.00 0.00 H new ATOM 1147 N SER A 78 19.159 -6.897 -0.049 1.00 0.00 N ATOM 1148 CA SER A 78 20.162 -7.554 0.755 1.00 0.00 C ATOM 1149 C SER A 78 21.285 -6.535 1.041 1.00 0.00 C ATOM 1150 O SER A 78 21.320 -5.460 0.443 1.00 0.00 O ATOM 1151 CB SER A 78 20.511 -8.862 0.042 1.00 0.00 C ATOM 1152 OG SER A 78 21.561 -9.563 0.666 1.00 0.00 O ATOM 0 H SER A 78 19.107 -7.207 -1.019 1.00 0.00 H new ATOM 0 HA SER A 78 19.851 -7.864 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.627 -9.498 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.788 -8.645 -0.990 1.00 0.00 H new ATOM 0 HG SER A 78 22.398 -9.394 0.185 1.00 0.00 H new ATOM 1158 N LEU A 79 22.179 -6.811 1.984 1.00 0.00 N ATOM 1159 CA LEU A 79 23.371 -6.009 2.273 1.00 0.00 C ATOM 1160 C LEU A 79 24.420 -7.011 2.733 1.00 0.00 C ATOM 1161 O LEU A 79 25.000 -6.880 3.813 1.00 0.00 O ATOM 1162 CB LEU A 79 23.162 -4.876 3.319 1.00 0.00 C ATOM 1163 CG LEU A 79 22.188 -3.741 2.942 1.00 0.00 C ATOM 1164 CD1 LEU A 79 20.743 -3.990 3.392 1.00 0.00 C ATOM 1165 CD2 LEU A 79 22.637 -2.413 3.568 1.00 0.00 C ATOM 0 H LEU A 79 22.094 -7.626 2.591 1.00 0.00 H new ATOM 0 HA LEU A 79 23.668 -5.460 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 79 22.809 -5.331 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.133 -4.431 3.533 1.00 0.00 H new ATOM 0 HG LEU A 79 22.209 -3.703 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.118 -3.149 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.370 -4.903 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.713 -4.095 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 79 21.937 -1.625 3.290 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.660 -2.512 4.653 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.633 -2.158 3.205 1.00 0.00 H new ATOM 1177 N CYS A 80 24.589 -8.079 1.953 1.00 0.00 N ATOM 1178 CA CYS A 80 25.394 -9.244 2.302 1.00 0.00 C ATOM 1179 C CYS A 80 26.591 -9.385 1.349 1.00 0.00 C ATOM 1180 O CYS A 80 27.262 -10.415 1.370 1.00 0.00 O ATOM 1181 CB CYS A 80 24.513 -10.506 2.343 1.00 0.00 C ATOM 1182 SG CYS A 80 23.051 -10.270 3.401 1.00 0.00 S ATOM 0 H CYS A 80 24.155 -8.157 1.033 1.00 0.00 H new ATOM 0 HA CYS A 80 25.808 -9.109 3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.194 -10.760 1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 80 25.099 -11.347 2.714 1.00 0.00 H new ATOM 0 HG CYS A 80 22.030 -9.945 2.665 1.00 0.00 H new ATOM 1188 N GLY A 81 26.871 -8.370 0.520 1.00 0.00 N ATOM 1189 CA GLY A 81 28.072 -8.363 -0.319 1.00 0.00 C ATOM 1190 C GLY A 81 27.789 -8.808 -1.749 1.00 0.00 C ATOM 1191 O GLY A 81 28.707 -9.232 -2.447 1.00 0.00 O ATOM 0 H GLY A 81 26.281 -7.545 0.414 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.496 -7.359 -0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.822 -9.020 0.121 1.00 0.00 H new ATOM 1195 N CYS A 82 26.523 -8.711 -2.175 1.00 0.00 N ATOM 1196 CA CYS A 82 26.026 -9.104 -3.493 1.00 0.00 C ATOM 1197 C CYS A 82 26.529 -10.505 -3.900 1.00 0.00 C ATOM 1198 O CYS A 82 26.948 -10.728 -5.041 1.00 0.00 O ATOM 1199 CB CYS A 82 26.332 -7.976 -4.493 1.00 0.00 C ATOM 1200 SG CYS A 82 25.190 -8.028 -5.911 1.00 0.00 S ATOM 0 H CYS A 82 25.785 -8.338 -1.578 1.00 0.00 H new ATOM 0 HA CYS A 82 24.943 -9.222 -3.477 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.252 -7.011 -3.993 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.359 -8.068 -4.846 1.00 0.00 H new ATOM 0 HG CYS A 82 25.475 -7.062 -6.733 1.00 0.00 H new ATOM 1206 N GLY A 83 26.538 -11.441 -2.943 1.00 0.00 N ATOM 1207 CA GLY A 83 27.172 -12.745 -3.111 1.00 0.00 C ATOM 1208 C GLY A 83 26.692 -13.764 -2.080 1.00 0.00 C ATOM 1209 O GLY A 83 27.489 -14.580 -1.614 1.00 0.00 O ATOM 0 H GLY A 83 26.103 -11.310 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 83 26.964 -13.121 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.253 -12.633 -3.031 1.00 0.00 H new ATOM 1213 N VAL A 84 25.405 -13.710 -1.711 1.00 0.00 N ATOM 1214 CA VAL A 84 24.754 -14.690 -0.849 1.00 0.00 C ATOM 1215 C VAL A 84 23.640 -15.347 -1.659 1.00 0.00 C ATOM 1216 O VAL A 84 22.929 -14.680 -2.416 1.00 0.00 O ATOM 1217 CB VAL A 84 24.306 -14.049 0.479 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.622 -15.045 1.430 1.00 0.00 C ATOM 1219 CG2 VAL A 84 25.554 -13.494 1.177 1.00 0.00 C ATOM 0 H VAL A 84 24.778 -12.964 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 84 25.441 -15.477 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 84 23.577 -13.273 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 84 23.331 -14.532 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.736 -15.458 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 84 24.314 -15.852 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 84 25.267 -13.033 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 84 26.256 -14.306 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.027 -12.748 0.538 1.00 0.00 H new ATOM 1229 N ASN A 85 23.519 -16.671 -1.532 1.00 0.00 N ATOM 1230 CA ASN A 85 22.634 -17.493 -2.347 1.00 0.00 C ATOM 1231 C ASN A 85 21.213 -17.452 -1.779 1.00 0.00 C ATOM 1232 O ASN A 85 20.743 -18.413 -1.164 1.00 0.00 O ATOM 1233 CB ASN A 85 23.201 -18.919 -2.462 1.00 0.00 C ATOM 1234 CG ASN A 85 22.517 -19.664 -3.600 1.00 0.00 C ATOM 1235 OD1 ASN A 85 21.667 -20.527 -3.395 1.00 0.00 O ATOM 1236 ND2 ASN A 85 22.879 -19.332 -4.830 1.00 0.00 N ATOM 0 H ASN A 85 24.047 -17.208 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 85 22.578 -17.095 -3.360 1.00 0.00 H new ATOM 0 HB2 ASN A 85 24.276 -18.878 -2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 85 23.052 -19.455 -1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 85 22.450 -19.796 -5.631 1.00 0.00 H new ATOM 0 HD22 ASN A 85 23.587 -18.612 -4.977 1.00 0.00 H new ATOM 1243 N LEU A 86 20.567 -16.288 -1.891 1.00 0.00 N ATOM 1244 CA LEU A 86 19.205 -16.084 -1.401 1.00 0.00 C ATOM 1245 C LEU A 86 18.262 -17.074 -2.114 1.00 0.00 C ATOM 1246 O LEU A 86 18.471 -17.339 -3.305 1.00 0.00 O ATOM 1247 CB LEU A 86 18.712 -14.643 -1.645 1.00 0.00 C ATOM 1248 CG LEU A 86 19.660 -13.484 -1.279 1.00 0.00 C ATOM 1249 CD1 LEU A 86 18.930 -12.149 -1.462 1.00 0.00 C ATOM 1250 CD2 LEU A 86 20.199 -13.548 0.154 1.00 0.00 C ATOM 0 H LEU A 86 20.976 -15.461 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 86 19.204 -16.256 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.462 -14.550 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 86 17.786 -14.507 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 86 20.516 -13.574 -1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.600 -11.329 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.615 -12.046 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.055 -12.121 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.858 -12.698 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.367 -13.517 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.756 -14.475 0.292 1.00 0.00 H new ATOM 1262 N PRO A 87 17.222 -17.600 -1.438 1.00 0.00 N ATOM 1263 CA PRO A 87 16.166 -18.373 -2.088 1.00 0.00 C ATOM 1264 C PRO A 87 15.547 -17.613 -3.272 1.00 0.00 C ATOM 1265 O PRO A 87 15.515 -16.381 -3.252 1.00 0.00 O ATOM 1266 CB PRO A 87 15.115 -18.637 -1.008 1.00 0.00 C ATOM 1267 CG PRO A 87 15.878 -18.503 0.312 1.00 0.00 C ATOM 1268 CD PRO A 87 17.010 -17.526 -0.001 1.00 0.00 C ATOM 0 HA PRO A 87 16.565 -19.299 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.296 -17.920 -1.067 1.00 0.00 H new ATOM 0 HB3 PRO A 87 14.678 -19.630 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.235 -18.124 1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.265 -19.465 0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.745 -16.513 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.917 -17.794 0.541 1.00 0.00 H new ATOM 1276 N PRO A 88 14.961 -18.298 -4.266 1.00 0.00 N ATOM 1277 CA PRO A 88 14.552 -17.648 -5.506 1.00 0.00 C ATOM 1278 C PRO A 88 13.410 -16.634 -5.343 1.00 0.00 C ATOM 1279 O PRO A 88 13.258 -15.746 -6.182 1.00 0.00 O ATOM 1280 CB PRO A 88 14.202 -18.785 -6.476 1.00 0.00 C ATOM 1281 CG PRO A 88 13.855 -19.953 -5.554 1.00 0.00 C ATOM 1282 CD PRO A 88 14.787 -19.739 -4.362 1.00 0.00 C ATOM 0 HA PRO A 88 15.364 -17.029 -5.887 1.00 0.00 H new ATOM 0 HB2 PRO A 88 13.363 -18.519 -7.119 1.00 0.00 H new ATOM 0 HB3 PRO A 88 15.040 -19.026 -7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 88 12.807 -19.934 -5.255 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.031 -20.914 -6.037 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.355 -20.145 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.742 -20.241 -4.514 1.00 0.00 H new ATOM 1290 N GLU A 89 12.633 -16.694 -4.258 1.00 0.00 N ATOM 1291 CA GLU A 89 11.588 -15.719 -3.981 1.00 0.00 C ATOM 1292 C GLU A 89 12.176 -14.326 -3.758 1.00 0.00 C ATOM 1293 O GLU A 89 11.529 -13.319 -4.023 1.00 0.00 O ATOM 1294 CB GLU A 89 10.740 -16.159 -2.783 1.00 0.00 C ATOM 1295 CG GLU A 89 11.529 -16.531 -1.521 1.00 0.00 C ATOM 1296 CD GLU A 89 10.581 -16.900 -0.367 1.00 0.00 C ATOM 1297 OE1 GLU A 89 10.054 -15.968 0.281 1.00 0.00 O ATOM 1298 OE2 GLU A 89 10.383 -18.113 -0.111 1.00 0.00 O ATOM 0 H GLU A 89 12.715 -17.423 -3.549 1.00 0.00 H new ATOM 0 HA GLU A 89 10.938 -15.665 -4.854 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.048 -15.355 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.138 -17.017 -3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.190 -17.370 -1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.162 -15.695 -1.224 1.00 0.00 H new ATOM 1305 N TRP A 90 13.429 -14.246 -3.320 1.00 0.00 N ATOM 1306 CA TRP A 90 14.127 -12.984 -3.177 1.00 0.00 C ATOM 1307 C TRP A 90 14.431 -12.322 -4.530 1.00 0.00 C ATOM 1308 O TRP A 90 14.898 -11.190 -4.543 1.00 0.00 O ATOM 1309 CB TRP A 90 15.391 -13.192 -2.332 1.00 0.00 C ATOM 1310 CG TRP A 90 15.162 -13.551 -0.887 1.00 0.00 C ATOM 1311 CD1 TRP A 90 14.829 -14.771 -0.411 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.176 -12.679 0.284 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.620 -14.709 0.954 1.00 0.00 N ATOM 1314 CE2 TRP A 90 14.769 -13.427 1.427 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.369 -11.298 0.466 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.556 -12.830 2.677 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.153 -10.679 1.713 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.754 -11.447 2.824 1.00 0.00 C ATOM 0 H TRP A 90 13.985 -15.059 -3.055 1.00 0.00 H new ATOM 0 HA TRP A 90 13.472 -12.285 -2.657 1.00 0.00 H new ATOM 0 HB2 TRP A 90 15.987 -13.980 -2.792 1.00 0.00 H new ATOM 0 HB3 TRP A 90 15.985 -12.279 -2.370 1.00 0.00 H new ATOM 0 HD1 TRP A 90 14.739 -15.665 -1.010 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.385 -15.513 1.536 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.691 -10.697 -0.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.242 -13.428 3.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.294 -9.613 1.817 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.601 -10.975 3.784 1.00 0.00 H new ATOM 1329 N VAL A 91 14.148 -12.972 -5.663 1.00 0.00 N ATOM 1330 CA VAL A 91 14.489 -12.492 -6.994 1.00 0.00 C ATOM 1331 C VAL A 91 13.239 -12.024 -7.752 1.00 0.00 C ATOM 1332 O VAL A 91 13.325 -11.130 -8.595 1.00 0.00 O ATOM 1333 CB VAL A 91 15.269 -13.584 -7.740 1.00 0.00 C ATOM 1334 CG1 VAL A 91 15.805 -13.121 -9.101 1.00 0.00 C ATOM 1335 CG2 VAL A 91 16.446 -14.147 -6.919 1.00 0.00 C ATOM 0 H VAL A 91 13.663 -13.869 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 91 15.133 -11.616 -6.916 1.00 0.00 H new ATOM 0 HB VAL A 91 14.533 -14.372 -7.900 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.346 -13.939 -9.576 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.972 -12.819 -9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.478 -12.275 -8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.959 -14.915 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 91 17.143 -13.343 -6.684 1.00 0.00 H new ATOM 0 HG23 VAL A 91 16.069 -14.582 -5.994 1.00 0.00 H new ATOM 1345 N THR A 92 12.071 -12.594 -7.451 1.00 0.00 N ATOM 1346 CA THR A 92 10.845 -12.405 -8.231 1.00 0.00 C ATOM 1347 C THR A 92 10.165 -11.047 -7.970 1.00 0.00 C ATOM 1348 O THR A 92 9.356 -10.578 -8.777 1.00 0.00 O ATOM 1349 CB THR A 92 9.914 -13.589 -7.925 1.00 0.00 C ATOM 1350 OG1 THR A 92 9.830 -13.799 -6.526 1.00 0.00 O ATOM 1351 CG2 THR A 92 10.500 -14.866 -8.535 1.00 0.00 C ATOM 0 H THR A 92 11.948 -13.209 -6.647 1.00 0.00 H new ATOM 0 HA THR A 92 11.093 -12.384 -9.292 1.00 0.00 H new ATOM 0 HB THR A 92 8.930 -13.365 -8.338 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.233 -14.555 -6.344 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.842 -15.708 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.592 -14.745 -9.614 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.484 -15.056 -8.106 1.00 0.00 H new ATOM 1359 N GLN A 93 10.515 -10.424 -6.844 1.00 0.00 N ATOM 1360 CA GLN A 93 10.149 -9.108 -6.378 1.00 0.00 C ATOM 1361 C GLN A 93 10.357 -7.999 -7.417 1.00 0.00 C ATOM 1362 O GLN A 93 11.133 -8.131 -8.365 1.00 0.00 O ATOM 1363 CB GLN A 93 11.005 -8.898 -5.118 1.00 0.00 C ATOM 1364 CG GLN A 93 10.731 -9.870 -3.961 1.00 0.00 C ATOM 1365 CD GLN A 93 9.319 -10.474 -3.962 1.00 0.00 C ATOM 1366 OE1 GLN A 93 8.291 -9.796 -3.938 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.246 -11.784 -4.131 1.00 0.00 N ATOM 0 H GLN A 93 11.127 -10.888 -6.173 1.00 0.00 H new ATOM 0 HA GLN A 93 9.080 -9.049 -6.174 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.056 -8.980 -5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.848 -7.881 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.460 -10.680 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.889 -9.347 -3.018 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.098 -12.344 -4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.337 -12.234 -4.242 1.00 0.00 H new ATOM 1376 N GLU A 94 9.658 -6.882 -7.202 1.00 0.00 N ATOM 1377 CA GLU A 94 9.704 -5.687 -8.018 1.00 0.00 C ATOM 1378 C GLU A 94 11.114 -5.096 -7.962 1.00 0.00 C ATOM 1379 O GLU A 94 11.637 -4.670 -8.993 1.00 0.00 O ATOM 1380 CB GLU A 94 8.602 -4.727 -7.528 1.00 0.00 C ATOM 1381 CG GLU A 94 8.938 -3.249 -7.690 1.00 0.00 C ATOM 1382 CD GLU A 94 7.706 -2.353 -7.460 1.00 0.00 C ATOM 1383 OE1 GLU A 94 7.268 -2.190 -6.296 1.00 0.00 O ATOM 1384 OE2 GLU A 94 7.174 -1.798 -8.452 1.00 0.00 O ATOM 0 H GLU A 94 9.017 -6.792 -6.414 1.00 0.00 H new ATOM 0 HA GLU A 94 9.504 -5.897 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.682 -4.940 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.403 -4.929 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.723 -2.975 -6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.333 -3.074 -8.691 1.00 0.00 H new ATOM 1391 N ILE A 95 11.744 -5.136 -6.782 1.00 0.00 N ATOM 1392 CA ILE A 95 13.157 -4.813 -6.641 1.00 0.00 C ATOM 1393 C ILE A 95 13.852 -5.977 -5.952 1.00 0.00 C ATOM 1394 O ILE A 95 13.344 -6.534 -4.975 1.00 0.00 O ATOM 1395 CB ILE A 95 13.405 -3.529 -5.821 1.00 0.00 C ATOM 1396 CG1 ILE A 95 12.891 -2.235 -6.460 1.00 0.00 C ATOM 1397 CG2 ILE A 95 14.903 -3.325 -5.516 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.529 -1.814 -7.790 1.00 0.00 C ATOM 0 H ILE A 95 11.287 -5.392 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 95 13.554 -4.638 -7.641 1.00 0.00 H new ATOM 0 HB ILE A 95 12.830 -3.705 -4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 95 11.817 -2.338 -6.617 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.032 -1.425 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.035 -2.411 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.277 -4.174 -4.944 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.457 -3.246 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.076 -0.884 -8.133 1.00 0.00 H new ATOM 0 HD12 ILE A 95 14.600 -1.666 -7.649 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.366 -2.593 -8.535 1.00 0.00 H new ATOM 1410 N PHE A 96 15.043 -6.290 -6.449 1.00 0.00 N ATOM 1411 CA PHE A 96 15.990 -7.163 -5.803 1.00 0.00 C ATOM 1412 C PHE A 96 17.319 -6.458 -6.054 1.00 0.00 C ATOM 1413 O PHE A 96 17.757 -6.337 -7.202 1.00 0.00 O ATOM 1414 CB PHE A 96 16.015 -8.611 -6.301 1.00 0.00 C ATOM 1415 CG PHE A 96 17.205 -9.379 -5.726 1.00 0.00 C ATOM 1416 CD1 PHE A 96 17.664 -9.115 -4.415 1.00 0.00 C ATOM 1417 CD2 PHE A 96 17.933 -10.276 -6.529 1.00 0.00 C ATOM 1418 CE1 PHE A 96 18.851 -9.678 -3.936 1.00 0.00 C ATOM 1419 CE2 PHE A 96 19.106 -10.878 -6.033 1.00 0.00 C ATOM 1420 CZ PHE A 96 19.576 -10.570 -4.744 1.00 0.00 C ATOM 0 H PHE A 96 15.378 -5.927 -7.341 1.00 0.00 H new ATOM 0 HA PHE A 96 15.732 -7.300 -4.753 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.088 -9.110 -6.019 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.065 -8.622 -7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.087 -8.467 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.592 -10.504 -7.528 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.209 -9.428 -2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.648 -11.581 -6.647 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.489 -11.016 -4.377 1.00 0.00 H new ATOM 1430 N GLU A 97 17.920 -5.951 -4.987 1.00 0.00 N ATOM 1431 CA GLU A 97 19.240 -5.352 -4.994 1.00 0.00 C ATOM 1432 C GLU A 97 19.982 -5.917 -3.781 1.00 0.00 C ATOM 1433 O GLU A 97 19.405 -6.570 -2.906 1.00 0.00 O ATOM 1434 CB GLU A 97 19.137 -3.808 -4.954 1.00 0.00 C ATOM 1435 CG GLU A 97 18.873 -3.151 -6.318 1.00 0.00 C ATOM 1436 CD GLU A 97 18.739 -1.615 -6.237 1.00 0.00 C ATOM 1437 OE1 GLU A 97 19.662 -0.935 -5.723 1.00 0.00 O ATOM 1438 OE2 GLU A 97 17.718 -1.075 -6.726 1.00 0.00 O ATOM 0 H GLU A 97 17.485 -5.947 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 97 19.786 -5.590 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.337 -3.528 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 97 20.063 -3.405 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.686 -3.403 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 97 17.960 -3.567 -6.744 1.00 0.00 H new ATOM 1445 N ASP A 98 21.275 -5.631 -3.716 1.00 0.00 N ATOM 1446 CA ASP A 98 22.114 -5.896 -2.560 1.00 0.00 C ATOM 1447 C ASP A 98 23.024 -4.692 -2.409 1.00 0.00 C ATOM 1448 O ASP A 98 23.796 -4.379 -3.318 1.00 0.00 O ATOM 1449 CB ASP A 98 22.919 -7.193 -2.676 1.00 0.00 C ATOM 1450 CG ASP A 98 23.750 -7.457 -1.408 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.752 -6.763 -1.143 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.450 -8.423 -0.673 1.00 0.00 O ATOM 0 H ASP A 98 21.781 -5.197 -4.488 1.00 0.00 H new ATOM 0 HA ASP A 98 21.489 -6.043 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.241 -8.029 -2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.581 -7.136 -3.540 1.00 0.00 H new ATOM 1457 N TRP A 99 22.887 -3.967 -1.305 1.00 0.00 N ATOM 1458 CA TRP A 99 23.691 -2.803 -0.993 1.00 0.00 C ATOM 1459 C TRP A 99 24.848 -3.293 -0.142 1.00 0.00 C ATOM 1460 O TRP A 99 24.908 -3.025 1.056 1.00 0.00 O ATOM 1461 CB TRP A 99 22.825 -1.687 -0.383 1.00 0.00 C ATOM 1462 CG TRP A 99 21.717 -1.210 -1.280 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.574 -1.493 -2.600 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.560 -0.392 -0.935 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.392 -0.973 -3.064 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.713 -0.309 -2.078 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.124 0.273 0.232 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.486 0.347 -2.065 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.895 0.962 0.248 1.00 0.00 C ATOM 1470 CH2 TRP A 99 18.071 0.970 -0.885 1.00 0.00 C ATOM 0 H TRP A 99 22.195 -4.182 -0.587 1.00 0.00 H new ATOM 0 HA TRP A 99 24.114 -2.325 -1.877 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.393 -2.047 0.551 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.465 -0.841 -0.133 1.00 0.00 H new ATOM 0 HD1 TRP A 99 22.285 -2.045 -3.196 1.00 0.00 H new ATOM 0 HE1 TRP A 99 20.061 -1.069 -4.024 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.738 0.253 1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.867 0.374 -2.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.586 1.487 1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 99 17.110 1.460 -0.846 1.00 0.00 H new ATOM 1481 N GLN A 100 25.735 -4.059 -0.787 1.00 0.00 N ATOM 1482 CA GLN A 100 27.031 -4.483 -0.272 1.00 0.00 C ATOM 1483 C GLN A 100 27.664 -3.357 0.554 1.00 0.00 C ATOM 1484 O GLN A 100 28.027 -3.563 1.712 1.00 0.00 O ATOM 1485 CB GLN A 100 27.960 -4.955 -1.410 1.00 0.00 C ATOM 1486 CG GLN A 100 28.371 -3.975 -2.518 1.00 0.00 C ATOM 1487 CD GLN A 100 27.190 -3.369 -3.270 1.00 0.00 C ATOM 1488 OE1 GLN A 100 26.743 -2.272 -2.941 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.618 -4.089 -4.220 1.00 0.00 N ATOM 0 H GLN A 100 25.555 -4.414 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 100 26.881 -5.339 0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.875 -5.326 -0.949 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.478 -5.806 -1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 100 28.962 -3.171 -2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 100 29.015 -4.493 -3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 100 27.007 -4.997 -4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 100 25.788 -3.737 -4.697 1.00 0.00 H new ATOM 1498 N LEU A 101 27.676 -2.174 -0.071 1.00 0.00 N ATOM 1499 CA LEU A 101 28.182 -0.885 0.378 1.00 0.00 C ATOM 1500 C LEU A 101 29.483 -1.007 1.189 1.00 0.00 C ATOM 1501 O LEU A 101 30.267 -1.940 0.996 1.00 0.00 O ATOM 1502 CB LEU A 101 27.017 -0.054 1.008 1.00 0.00 C ATOM 1503 CG LEU A 101 26.622 1.232 0.242 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.734 2.286 0.309 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.275 0.958 -1.227 1.00 0.00 C ATOM 0 H LEU A 101 27.285 -2.096 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 101 28.519 -0.292 -0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 101 26.138 -0.694 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.300 0.222 2.024 1.00 0.00 H new ATOM 0 HG LEU A 101 25.729 1.613 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.425 3.176 -0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 101 27.925 2.548 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.644 1.884 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.005 1.893 -1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.138 0.520 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.435 0.265 -1.279 1.00 0.00 H new ATOM 1517 N GLU A 102 29.781 0.007 1.999 1.00 0.00 N ATOM 1518 CA GLU A 102 30.850 -0.044 2.985 1.00 0.00 C ATOM 1519 C GLU A 102 30.564 -1.177 3.981 1.00 0.00 C ATOM 1520 O GLU A 102 29.453 -1.697 4.086 1.00 0.00 O ATOM 1521 CB GLU A 102 31.025 1.329 3.658 1.00 0.00 C ATOM 1522 CG GLU A 102 31.669 2.327 2.693 1.00 0.00 C ATOM 1523 CD GLU A 102 31.517 3.780 3.176 1.00 0.00 C ATOM 1524 OE1 GLU A 102 30.429 4.365 2.959 1.00 0.00 O ATOM 1525 OE2 GLU A 102 32.498 4.348 3.715 1.00 0.00 O ATOM 0 H GLU A 102 29.280 0.895 1.986 1.00 0.00 H new ATOM 0 HA GLU A 102 31.802 -0.267 2.503 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.056 1.705 3.985 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.644 1.226 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.727 2.091 2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.214 2.223 1.708 1.00 0.00 H new ATOM 1532 N ASP A 103 31.574 -1.524 4.765 1.00 0.00 N ATOM 1533 CA ASP A 103 31.637 -2.704 5.627 1.00 0.00 C ATOM 1534 C ASP A 103 32.140 -2.308 7.020 1.00 0.00 C ATOM 1535 O ASP A 103 33.288 -2.578 7.372 1.00 0.00 O ATOM 1536 CB ASP A 103 32.481 -3.779 4.916 1.00 0.00 C ATOM 1537 CG ASP A 103 32.291 -5.163 5.544 1.00 0.00 C ATOM 1538 OD1 ASP A 103 31.118 -5.577 5.680 1.00 0.00 O ATOM 1539 OD2 ASP A 103 33.277 -5.862 5.867 1.00 0.00 O ATOM 0 H ASP A 103 32.422 -0.960 4.823 1.00 0.00 H new ATOM 0 HA ASP A 103 30.652 -3.139 5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 103 32.206 -3.818 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.534 -3.502 4.961 1.00 0.00 H new ATOM 1544 N PRO A 104 31.309 -1.580 7.797 1.00 0.00 N ATOM 1545 CA PRO A 104 31.701 -0.929 9.044 1.00 0.00 C ATOM 1546 C PRO A 104 31.825 -1.875 10.254 1.00 0.00 C ATOM 1547 O PRO A 104 31.275 -1.606 11.320 1.00 0.00 O ATOM 1548 CB PRO A 104 30.673 0.201 9.229 1.00 0.00 C ATOM 1549 CG PRO A 104 29.406 -0.428 8.663 1.00 0.00 C ATOM 1550 CD PRO A 104 29.931 -1.218 7.472 1.00 0.00 C ATOM 0 HA PRO A 104 32.718 -0.542 8.983 1.00 0.00 H new ATOM 0 HB2 PRO A 104 30.557 0.480 10.276 1.00 0.00 H new ATOM 0 HB3 PRO A 104 30.957 1.104 8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 104 28.913 -1.072 9.391 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.679 0.326 8.361 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.326 -2.108 7.298 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.890 -0.621 6.561 1.00 0.00 H new ATOM 1558 N ASP A 105 32.542 -2.990 10.114 1.00 0.00 N ATOM 1559 CA ASP A 105 32.907 -3.849 11.244 1.00 0.00 C ATOM 1560 C ASP A 105 33.799 -3.062 12.217 1.00 0.00 C ATOM 1561 O ASP A 105 34.983 -2.842 11.941 1.00 0.00 O ATOM 1562 CB ASP A 105 33.638 -5.104 10.753 1.00 0.00 C ATOM 1563 CG ASP A 105 34.183 -5.926 11.936 1.00 0.00 C ATOM 1564 OD1 ASP A 105 33.421 -6.183 12.897 1.00 0.00 O ATOM 1565 OD2 ASP A 105 35.364 -6.345 11.892 1.00 0.00 O ATOM 0 H ASP A 105 32.887 -3.325 9.214 1.00 0.00 H new ATOM 0 HA ASP A 105 31.999 -4.163 11.759 1.00 0.00 H new ATOM 0 HB2 ASP A 105 32.957 -5.718 10.163 1.00 0.00 H new ATOM 0 HB3 ASP A 105 34.459 -4.817 10.096 1.00 0.00 H new ATOM 1570 N GLY A 106 33.222 -2.598 13.333 1.00 0.00 N ATOM 1571 CA GLY A 106 33.942 -1.890 14.392 1.00 0.00 C ATOM 1572 C GLY A 106 34.593 -0.575 13.940 1.00 0.00 C ATOM 1573 O GLY A 106 35.615 -0.176 14.506 1.00 0.00 O ATOM 0 H GLY A 106 32.226 -2.707 13.526 1.00 0.00 H new ATOM 0 HA2 GLY A 106 33.250 -1.678 15.207 1.00 0.00 H new ATOM 0 HA3 GLY A 106 34.715 -2.546 14.792 1.00 0.00 H new ATOM 1577 N GLN A 107 34.054 0.070 12.900 1.00 0.00 N ATOM 1578 CA GLN A 107 34.613 1.287 12.320 1.00 0.00 C ATOM 1579 C GLN A 107 34.624 2.495 13.259 1.00 0.00 C ATOM 1580 O GLN A 107 33.957 2.532 14.298 1.00 0.00 O ATOM 1581 CB GLN A 107 33.822 1.662 11.053 1.00 0.00 C ATOM 1582 CG GLN A 107 34.495 1.122 9.791 1.00 0.00 C ATOM 1583 CD GLN A 107 35.774 1.840 9.360 1.00 0.00 C ATOM 1584 OE1 GLN A 107 36.403 2.568 10.124 1.00 0.00 O ATOM 1585 NE2 GLN A 107 36.144 1.679 8.097 1.00 0.00 N ATOM 0 H GLN A 107 33.204 -0.247 12.433 1.00 0.00 H new ATOM 0 HA GLN A 107 35.655 1.054 12.099 1.00 0.00 H new ATOM 0 HB2 GLN A 107 32.809 1.265 11.125 1.00 0.00 H new ATOM 0 HB3 GLN A 107 33.735 2.746 10.985 1.00 0.00 H new ATOM 0 HG2 GLN A 107 34.727 0.069 9.948 1.00 0.00 H new ATOM 0 HG3 GLN A 107 33.779 1.171 8.971 1.00 0.00 H new ATOM 0 HE21 GLN A 107 35.606 1.069 7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 107 36.967 2.165 7.741 1.00 0.00 H new ATOM 1594 N SER A 108 35.368 3.503 12.809 1.00 0.00 N ATOM 1595 CA SER A 108 35.386 4.844 13.374 1.00 0.00 C ATOM 1596 C SER A 108 34.030 5.512 13.130 1.00 0.00 C ATOM 1597 O SER A 108 33.358 5.210 12.137 1.00 0.00 O ATOM 1598 CB SER A 108 36.511 5.660 12.719 1.00 0.00 C ATOM 1599 OG SER A 108 37.763 5.004 12.881 1.00 0.00 O ATOM 0 H SER A 108 35.996 3.401 12.012 1.00 0.00 H new ATOM 0 HA SER A 108 35.569 4.793 14.447 1.00 0.00 H new ATOM 0 HB2 SER A 108 36.300 5.795 11.658 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.554 6.654 13.165 1.00 0.00 H new ATOM 0 HG SER A 108 38.468 5.536 12.457 1.00 0.00 H new ATOM 1605 N LEU A 109 33.649 6.476 13.982 1.00 0.00 N ATOM 1606 CA LEU A 109 32.363 7.168 13.866 1.00 0.00 C ATOM 1607 C LEU A 109 32.224 7.865 12.522 1.00 0.00 C ATOM 1608 O LEU A 109 31.137 7.887 11.964 1.00 0.00 O ATOM 1609 CB LEU A 109 32.148 8.196 14.995 1.00 0.00 C ATOM 1610 CG LEU A 109 32.015 7.645 16.430 1.00 0.00 C ATOM 1611 CD1 LEU A 109 31.530 8.774 17.353 1.00 0.00 C ATOM 1612 CD2 LEU A 109 31.056 6.454 16.535 1.00 0.00 C ATOM 0 H LEU A 109 34.221 6.794 14.764 1.00 0.00 H new ATOM 0 HA LEU A 109 31.598 6.396 13.952 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.982 8.897 14.978 1.00 0.00 H new ATOM 0 HB3 LEU A 109 31.248 8.766 14.767 1.00 0.00 H new ATOM 0 HG LEU A 109 32.998 7.283 16.730 1.00 0.00 H new ATOM 0 HD11 LEU A 109 31.432 8.395 18.370 1.00 0.00 H new ATOM 0 HD12 LEU A 109 32.251 9.592 17.338 1.00 0.00 H new ATOM 0 HD13 LEU A 109 30.562 9.137 17.007 1.00 0.00 H new ATOM 0 HD21 LEU A 109 31.008 6.115 17.570 1.00 0.00 H new ATOM 0 HD22 LEU A 109 30.062 6.757 16.206 1.00 0.00 H new ATOM 0 HD23 LEU A 109 31.415 5.641 15.903 1.00 0.00 H new ATOM 1624 N GLU A 110 33.313 8.394 11.969 1.00 0.00 N ATOM 1625 CA GLU A 110 33.267 9.106 10.689 1.00 0.00 C ATOM 1626 C GLU A 110 32.787 8.184 9.581 1.00 0.00 C ATOM 1627 O GLU A 110 31.986 8.583 8.734 1.00 0.00 O ATOM 1628 CB GLU A 110 34.648 9.647 10.315 1.00 0.00 C ATOM 1629 CG GLU A 110 35.119 10.654 11.356 1.00 0.00 C ATOM 1630 CD GLU A 110 36.408 11.376 10.921 1.00 0.00 C ATOM 1631 OE1 GLU A 110 37.519 10.852 11.180 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.320 12.478 10.324 1.00 0.00 O ATOM 0 H GLU A 110 34.242 8.344 12.387 1.00 0.00 H new ATOM 0 HA GLU A 110 32.571 9.938 10.802 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.361 8.826 10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.608 10.120 9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 110 34.333 11.389 11.530 1.00 0.00 H new ATOM 0 HG3 GLU A 110 35.292 10.142 12.303 1.00 0.00 H new ATOM 1639 N VAL A 111 33.233 6.930 9.597 1.00 0.00 N ATOM 1640 CA VAL A 111 32.788 5.979 8.609 1.00 0.00 C ATOM 1641 C VAL A 111 31.353 5.589 8.910 1.00 0.00 C ATOM 1642 O VAL A 111 30.576 5.587 7.970 1.00 0.00 O ATOM 1643 CB VAL A 111 33.766 4.801 8.491 1.00 0.00 C ATOM 1644 CG1 VAL A 111 33.286 3.797 7.438 1.00 0.00 C ATOM 1645 CG2 VAL A 111 35.168 5.300 8.100 1.00 0.00 C ATOM 0 H VAL A 111 33.895 6.562 10.280 1.00 0.00 H new ATOM 0 HA VAL A 111 32.788 6.428 7.616 1.00 0.00 H new ATOM 0 HB VAL A 111 33.810 4.311 9.463 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.995 2.972 7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 111 32.306 3.412 7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 111 33.215 4.292 6.469 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.847 4.451 8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 111 35.117 5.814 7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.535 5.989 8.861 1.00 0.00 H new ATOM 1655 N PHE A 112 30.938 5.387 10.167 1.00 0.00 N ATOM 1656 CA PHE A 112 29.508 5.207 10.462 1.00 0.00 C ATOM 1657 C PHE A 112 28.668 6.346 9.847 1.00 0.00 C ATOM 1658 O PHE A 112 27.695 6.069 9.146 1.00 0.00 O ATOM 1659 CB PHE A 112 29.229 5.100 11.965 1.00 0.00 C ATOM 1660 CG PHE A 112 29.344 3.722 12.593 1.00 0.00 C ATOM 1661 CD1 PHE A 112 30.588 3.068 12.669 1.00 0.00 C ATOM 1662 CD2 PHE A 112 28.207 3.110 13.157 1.00 0.00 C ATOM 1663 CE1 PHE A 112 30.688 1.812 13.293 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.310 1.854 13.784 1.00 0.00 C ATOM 1665 CZ PHE A 112 29.552 1.201 13.847 1.00 0.00 C ATOM 0 H PHE A 112 31.553 5.344 10.979 1.00 0.00 H new ATOM 0 HA PHE A 112 29.214 4.262 10.006 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.916 5.767 12.485 1.00 0.00 H new ATOM 0 HB3 PHE A 112 28.222 5.473 12.150 1.00 0.00 H new ATOM 0 HD1 PHE A 112 31.467 3.532 12.247 1.00 0.00 H new ATOM 0 HD2 PHE A 112 27.250 3.608 13.108 1.00 0.00 H new ATOM 0 HE1 PHE A 112 31.645 1.314 13.346 1.00 0.00 H new ATOM 0 HE2 PHE A 112 27.434 1.393 14.216 1.00 0.00 H new ATOM 0 HZ PHE A 112 29.633 0.233 14.320 1.00 0.00 H new ATOM 1675 N ARG A 113 29.076 7.614 10.023 1.00 0.00 N ATOM 1676 CA ARG A 113 28.376 8.769 9.426 1.00 0.00 C ATOM 1677 C ARG A 113 28.342 8.644 7.908 1.00 0.00 C ATOM 1678 O ARG A 113 27.315 8.909 7.282 1.00 0.00 O ATOM 1679 CB ARG A 113 29.068 10.110 9.756 1.00 0.00 C ATOM 1680 CG ARG A 113 29.091 10.503 11.240 1.00 0.00 C ATOM 1681 CD ARG A 113 29.849 11.820 11.459 1.00 0.00 C ATOM 1682 NE ARG A 113 30.073 12.065 12.900 1.00 0.00 N ATOM 1683 CZ ARG A 113 29.318 12.801 13.732 1.00 0.00 C ATOM 1684 NH1 ARG A 113 28.253 13.462 13.293 1.00 0.00 N ATOM 1685 NH2 ARG A 113 29.626 12.877 15.021 1.00 0.00 N ATOM 0 H ARG A 113 29.893 7.868 10.578 1.00 0.00 H new ATOM 0 HA ARG A 113 27.371 8.765 9.849 1.00 0.00 H new ATOM 0 HB2 ARG A 113 30.096 10.065 9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 113 28.569 10.902 9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 113 28.070 10.604 11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.562 9.710 11.821 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.806 11.784 10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 113 29.283 12.646 11.029 1.00 0.00 H new ATOM 0 HE ARG A 113 30.896 11.624 13.310 1.00 0.00 H new ATOM 0 HH11 ARG A 113 27.995 13.416 12.307 1.00 0.00 H new ATOM 0 HH12 ARG A 113 27.693 14.015 13.942 1.00 0.00 H new ATOM 0 HH21 ARG A 113 30.438 12.376 15.382 1.00 0.00 H new ATOM 0 HH22 ARG A 113 29.051 13.437 15.651 1.00 0.00 H new ATOM 1699 N THR A 114 29.466 8.264 7.317 1.00 0.00 N ATOM 1700 CA THR A 114 29.602 8.209 5.880 1.00 0.00 C ATOM 1701 C THR A 114 28.743 7.074 5.326 1.00 0.00 C ATOM 1702 O THR A 114 28.058 7.277 4.323 1.00 0.00 O ATOM 1703 CB THR A 114 31.082 8.020 5.518 1.00 0.00 C ATOM 1704 OG1 THR A 114 31.860 9.086 6.041 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.297 7.970 4.005 1.00 0.00 C ATOM 0 H THR A 114 30.305 7.986 7.826 1.00 0.00 H new ATOM 0 HA THR A 114 29.256 9.141 5.434 1.00 0.00 H new ATOM 0 HB THR A 114 31.393 7.070 5.953 1.00 0.00 H new ATOM 0 HG1 THR A 114 32.073 8.906 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.358 7.835 3.792 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.734 7.137 3.585 1.00 0.00 H new ATOM 0 HG23 THR A 114 30.953 8.902 3.558 1.00 0.00 H new ATOM 1713 N VAL A 115 28.731 5.911 5.982 1.00 0.00 N ATOM 1714 CA VAL A 115 28.049 4.724 5.475 1.00 0.00 C ATOM 1715 C VAL A 115 26.566 5.049 5.454 1.00 0.00 C ATOM 1716 O VAL A 115 25.910 4.919 4.428 1.00 0.00 O ATOM 1717 CB VAL A 115 28.340 3.482 6.348 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.606 2.247 5.806 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.833 3.142 6.501 1.00 0.00 C ATOM 0 H VAL A 115 29.195 5.769 6.879 1.00 0.00 H new ATOM 0 HA VAL A 115 28.406 4.475 4.476 1.00 0.00 H new ATOM 0 HB VAL A 115 27.972 3.750 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.827 1.386 6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.532 2.432 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.938 2.045 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 115 29.942 2.258 7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 115 30.264 2.946 5.519 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.352 3.982 6.964 1.00 0.00 H new ATOM 1729 N ARG A 116 26.073 5.582 6.567 1.00 0.00 N ATOM 1730 CA ARG A 116 24.740 6.141 6.702 1.00 0.00 C ATOM 1731 C ARG A 116 24.426 7.074 5.536 1.00 0.00 C ATOM 1732 O ARG A 116 23.403 6.887 4.890 1.00 0.00 O ATOM 1733 CB ARG A 116 24.746 6.813 8.080 1.00 0.00 C ATOM 1734 CG ARG A 116 23.631 7.804 8.400 1.00 0.00 C ATOM 1735 CD ARG A 116 24.123 8.706 9.522 1.00 0.00 C ATOM 1736 NE ARG A 116 24.867 9.869 8.983 1.00 0.00 N ATOM 1737 CZ ARG A 116 25.223 10.968 9.658 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.974 11.084 10.957 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.847 11.949 9.020 1.00 0.00 N ATOM 0 H ARG A 116 26.614 5.637 7.430 1.00 0.00 H new ATOM 0 HA ARG A 116 23.942 5.400 6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.720 6.027 8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.697 7.333 8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.378 8.393 7.518 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.726 7.277 8.702 1.00 0.00 H new ATOM 0 HD2 ARG A 116 23.275 9.054 10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.767 8.138 10.194 1.00 0.00 H new ATOM 0 HE ARG A 116 25.134 9.827 8.000 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.504 10.328 11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.252 11.929 11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 116 26.051 11.861 8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 116 26.123 12.791 9.525 1.00 0.00 H new ATOM 1753 N GLY A 117 25.279 8.046 5.219 1.00 0.00 N ATOM 1754 CA GLY A 117 24.974 8.988 4.144 1.00 0.00 C ATOM 1755 C GLY A 117 24.876 8.305 2.782 1.00 0.00 C ATOM 1756 O GLY A 117 23.918 8.536 2.048 1.00 0.00 O ATOM 0 H GLY A 117 26.174 8.201 5.683 1.00 0.00 H new ATOM 0 HA2 GLY A 117 24.033 9.493 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.747 9.756 4.108 1.00 0.00 H new ATOM 1760 N GLN A 118 25.793 7.397 2.451 1.00 0.00 N ATOM 1761 CA GLN A 118 25.720 6.679 1.183 1.00 0.00 C ATOM 1762 C GLN A 118 24.506 5.754 1.135 1.00 0.00 C ATOM 1763 O GLN A 118 23.869 5.610 0.090 1.00 0.00 O ATOM 1764 CB GLN A 118 27.020 5.918 0.903 1.00 0.00 C ATOM 1765 CG GLN A 118 28.212 6.887 0.862 1.00 0.00 C ATOM 1766 CD GLN A 118 29.329 6.375 -0.049 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.401 6.738 -1.222 1.00 0.00 O ATOM 1768 NE2 GLN A 118 30.211 5.515 0.440 1.00 0.00 N ATOM 0 H GLN A 118 26.588 7.144 3.038 1.00 0.00 H new ATOM 0 HA GLN A 118 25.595 7.417 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 118 27.182 5.166 1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 118 26.941 5.388 -0.046 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.875 7.863 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.601 7.028 1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.147 5.217 1.413 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.954 5.151 -0.157 1.00 0.00 H new ATOM 1777 N VAL A 119 24.129 5.180 2.274 1.00 0.00 N ATOM 1778 CA VAL A 119 22.898 4.414 2.399 1.00 0.00 C ATOM 1779 C VAL A 119 21.716 5.344 2.138 1.00 0.00 C ATOM 1780 O VAL A 119 20.794 4.939 1.443 1.00 0.00 O ATOM 1781 CB VAL A 119 22.814 3.744 3.783 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.433 3.162 4.079 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.819 2.580 3.873 1.00 0.00 C ATOM 0 H VAL A 119 24.671 5.234 3.136 1.00 0.00 H new ATOM 0 HA VAL A 119 22.878 3.610 1.663 1.00 0.00 H new ATOM 0 HB VAL A 119 23.035 4.529 4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.436 2.703 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.689 3.958 4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 119 21.188 2.409 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.750 2.115 4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.590 1.841 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.830 2.959 3.722 1.00 0.00 H new ATOM 1793 N LYS A 120 21.714 6.585 2.633 1.00 0.00 N ATOM 1794 CA LYS A 120 20.571 7.480 2.456 1.00 0.00 C ATOM 1795 C LYS A 120 20.297 7.738 0.977 1.00 0.00 C ATOM 1796 O LYS A 120 19.139 7.768 0.572 1.00 0.00 O ATOM 1797 CB LYS A 120 20.717 8.753 3.313 1.00 0.00 C ATOM 1798 CG LYS A 120 21.330 10.037 2.705 1.00 0.00 C ATOM 1799 CD LYS A 120 20.463 11.272 3.002 1.00 0.00 C ATOM 1800 CE LYS A 120 19.149 11.285 2.197 1.00 0.00 C ATOM 1801 NZ LYS A 120 19.273 11.997 0.902 1.00 0.00 N ATOM 0 H LYS A 120 22.489 6.990 3.158 1.00 0.00 H new ATOM 0 HA LYS A 120 19.674 6.987 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.723 9.012 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 120 21.318 8.489 4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.331 10.189 3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.435 9.916 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 120 20.232 11.301 4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 120 21.032 12.173 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 120 18.831 10.259 2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.368 11.758 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 18.405 11.859 0.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 19.415 13.012 1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 20.086 11.619 0.375 1.00 0.00 H new ATOM 1815 N GLU A 121 21.345 7.858 0.162 1.00 0.00 N ATOM 1816 CA GLU A 121 21.195 8.001 -1.278 1.00 0.00 C ATOM 1817 C GLU A 121 20.704 6.698 -1.902 1.00 0.00 C ATOM 1818 O GLU A 121 19.845 6.747 -2.777 1.00 0.00 O ATOM 1819 CB GLU A 121 22.519 8.433 -1.935 1.00 0.00 C ATOM 1820 CG GLU A 121 23.028 9.805 -1.483 1.00 0.00 C ATOM 1821 CD GLU A 121 22.028 10.934 -1.793 1.00 0.00 C ATOM 1822 OE1 GLU A 121 22.057 11.479 -2.924 1.00 0.00 O ATOM 1823 OE2 GLU A 121 21.211 11.275 -0.905 1.00 0.00 O ATOM 0 H GLU A 121 22.313 7.858 0.483 1.00 0.00 H new ATOM 0 HA GLU A 121 20.453 8.779 -1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 121 23.281 7.685 -1.715 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.387 8.446 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.224 9.781 -0.411 1.00 0.00 H new ATOM 0 HG3 GLU A 121 23.976 10.018 -1.976 1.00 0.00 H new ATOM 1830 N ARG A 122 21.193 5.532 -1.464 1.00 0.00 N ATOM 1831 CA ARG A 122 20.704 4.237 -1.953 1.00 0.00 C ATOM 1832 C ARG A 122 19.221 4.086 -1.640 1.00 0.00 C ATOM 1833 O ARG A 122 18.447 3.754 -2.531 1.00 0.00 O ATOM 1834 CB ARG A 122 21.519 3.104 -1.332 1.00 0.00 C ATOM 1835 CG ARG A 122 22.934 3.070 -1.937 1.00 0.00 C ATOM 1836 CD ARG A 122 23.182 1.861 -2.842 1.00 0.00 C ATOM 1837 NE ARG A 122 22.118 1.584 -3.840 1.00 0.00 N ATOM 1838 CZ ARG A 122 22.068 1.989 -5.118 1.00 0.00 C ATOM 1839 NH1 ARG A 122 22.888 2.941 -5.558 1.00 0.00 N ATOM 1840 NH2 ARG A 122 21.190 1.441 -5.956 1.00 0.00 N ATOM 0 H ARG A 122 21.933 5.459 -0.766 1.00 0.00 H new ATOM 0 HA ARG A 122 20.827 4.190 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.581 3.241 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 122 21.019 2.151 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 122 23.097 3.983 -2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.666 3.065 -1.129 1.00 0.00 H new ATOM 0 HD2 ARG A 122 24.123 2.012 -3.371 1.00 0.00 H new ATOM 0 HD3 ARG A 122 23.307 0.978 -2.215 1.00 0.00 H new ATOM 0 HE ARG A 122 21.333 1.019 -3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 122 23.561 3.368 -4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 122 22.843 3.243 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 122 20.556 0.714 -5.626 1.00 0.00 H new ATOM 0 HH22 ARG A 122 21.152 1.749 -6.928 1.00 0.00 H new ATOM 1854 N VAL A 123 18.810 4.404 -0.413 1.00 0.00 N ATOM 1855 CA VAL A 123 17.429 4.391 0.010 1.00 0.00 C ATOM 1856 C VAL A 123 16.618 5.306 -0.886 1.00 0.00 C ATOM 1857 O VAL A 123 15.615 4.881 -1.451 1.00 0.00 O ATOM 1858 CB VAL A 123 17.380 4.780 1.491 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.961 4.995 1.997 1.00 0.00 C ATOM 1860 CG2 VAL A 123 18.018 3.721 2.396 1.00 0.00 C ATOM 0 H VAL A 123 19.454 4.684 0.327 1.00 0.00 H new ATOM 0 HA VAL A 123 16.984 3.400 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 123 17.942 5.713 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.988 5.268 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.489 5.795 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.388 4.076 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.957 4.046 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.488 2.776 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 123 19.064 3.587 2.118 1.00 0.00 H new ATOM 1870 N GLU A 124 17.061 6.539 -1.061 1.00 0.00 N ATOM 1871 CA GLU A 124 16.308 7.517 -1.814 1.00 0.00 C ATOM 1872 C GLU A 124 16.231 7.141 -3.294 1.00 0.00 C ATOM 1873 O GLU A 124 15.195 7.355 -3.919 1.00 0.00 O ATOM 1874 CB GLU A 124 16.927 8.876 -1.538 1.00 0.00 C ATOM 1875 CG GLU A 124 16.077 10.005 -2.108 1.00 0.00 C ATOM 1876 CD GLU A 124 16.678 11.392 -1.812 1.00 0.00 C ATOM 1877 OE1 GLU A 124 16.995 11.687 -0.634 1.00 0.00 O ATOM 1878 OE2 GLU A 124 16.827 12.203 -2.757 1.00 0.00 O ATOM 0 H GLU A 124 17.945 6.885 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 124 15.265 7.550 -1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.041 9.013 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.926 8.917 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.980 9.876 -3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 124 15.073 9.949 -1.688 1.00 0.00 H new ATOM 1885 N ASN A 125 17.267 6.504 -3.840 1.00 0.00 N ATOM 1886 CA ASN A 125 17.250 5.954 -5.188 1.00 0.00 C ATOM 1887 C ASN A 125 16.177 4.884 -5.318 1.00 0.00 C ATOM 1888 O ASN A 125 15.382 4.920 -6.248 1.00 0.00 O ATOM 1889 CB ASN A 125 18.608 5.356 -5.576 1.00 0.00 C ATOM 1890 CG ASN A 125 19.495 6.371 -6.286 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.541 6.420 -7.512 1.00 0.00 O ATOM 1892 ND2 ASN A 125 20.198 7.206 -5.539 1.00 0.00 N ATOM 0 H ASN A 125 18.149 6.356 -3.350 1.00 0.00 H new ATOM 0 HA ASN A 125 17.029 6.779 -5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 125 19.114 4.995 -4.681 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.453 4.494 -6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.793 7.908 -5.980 1.00 0.00 H new ATOM 0 HD22 ASN A 125 20.145 7.148 -4.522 1.00 0.00 H new ATOM 1899 N LEU A 126 16.140 3.932 -4.383 1.00 0.00 N ATOM 1900 CA LEU A 126 15.128 2.876 -4.363 1.00 0.00 C ATOM 1901 C LEU A 126 13.737 3.483 -4.285 1.00 0.00 C ATOM 1902 O LEU A 126 12.869 3.117 -5.069 1.00 0.00 O ATOM 1903 CB LEU A 126 15.461 1.884 -3.238 1.00 0.00 C ATOM 1904 CG LEU A 126 14.320 1.212 -2.444 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.621 -0.270 -2.308 1.00 0.00 C ATOM 1906 CD2 LEU A 126 14.172 1.760 -1.022 1.00 0.00 C ATOM 0 H LEU A 126 16.812 3.872 -3.618 1.00 0.00 H new ATOM 0 HA LEU A 126 15.136 2.303 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 126 16.066 1.089 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 126 16.093 2.407 -2.520 1.00 0.00 H new ATOM 0 HG LEU A 126 13.401 1.412 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.821 -0.754 -1.748 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.694 -0.719 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.565 -0.403 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 126 13.353 1.247 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 126 15.098 1.596 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.959 2.828 -1.064 1.00 0.00 H new ATOM 1918 N ILE A 127 13.559 4.451 -3.399 1.00 0.00 N ATOM 1919 CA ILE A 127 12.311 5.183 -3.208 1.00 0.00 C ATOM 1920 C ILE A 127 11.915 5.880 -4.509 1.00 0.00 C ATOM 1921 O ILE A 127 10.749 5.842 -4.875 1.00 0.00 O ATOM 1922 CB ILE A 127 12.534 6.137 -2.032 1.00 0.00 C ATOM 1923 CG1 ILE A 127 12.336 5.270 -0.773 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.652 7.384 -1.992 1.00 0.00 C ATOM 1925 CD1 ILE A 127 13.110 5.848 0.389 1.00 0.00 C ATOM 0 H ILE A 127 14.302 4.760 -2.772 1.00 0.00 H new ATOM 0 HA ILE A 127 11.473 4.530 -2.966 1.00 0.00 H new ATOM 0 HB ILE A 127 13.531 6.570 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.276 5.217 -0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 127 12.669 4.251 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.904 7.980 -1.114 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.818 7.976 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.604 7.087 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.961 5.225 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 127 14.171 5.877 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.757 6.859 0.594 1.00 0.00 H new ATOM 1937 N ALA A 128 12.861 6.471 -5.242 1.00 0.00 N ATOM 1938 CA ALA A 128 12.561 7.152 -6.492 1.00 0.00 C ATOM 1939 C ALA A 128 11.935 6.204 -7.526 1.00 0.00 C ATOM 1940 O ALA A 128 11.169 6.650 -8.383 1.00 0.00 O ATOM 1941 CB ALA A 128 13.822 7.833 -7.036 1.00 0.00 C ATOM 0 H ALA A 128 13.848 6.488 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 128 11.816 7.921 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.587 8.340 -7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 128 14.184 8.561 -6.310 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.593 7.083 -7.213 1.00 0.00 H new ATOM 1947 N LYS A 129 12.234 4.900 -7.457 1.00 0.00 N ATOM 1948 CA LYS A 129 11.638 3.903 -8.335 1.00 0.00 C ATOM 1949 C LYS A 129 10.200 3.576 -7.929 1.00 0.00 C ATOM 1950 O LYS A 129 9.352 3.393 -8.806 1.00 0.00 O ATOM 1951 CB LYS A 129 12.471 2.613 -8.326 1.00 0.00 C ATOM 1952 CG LYS A 129 13.941 2.839 -8.699 1.00 0.00 C ATOM 1953 CD LYS A 129 14.740 1.561 -8.444 1.00 0.00 C ATOM 1954 CE LYS A 129 16.225 1.842 -8.700 1.00 0.00 C ATOM 1955 NZ LYS A 129 17.053 0.607 -8.796 1.00 0.00 N ATOM 0 H LYS A 129 12.898 4.513 -6.787 1.00 0.00 H new ATOM 0 HA LYS A 129 11.625 4.327 -9.339 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.420 2.162 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.032 1.900 -9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.020 3.126 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.353 3.660 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.592 1.223 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.390 0.761 -9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.325 2.411 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.612 2.469 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.949 0.826 -9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.251 0.247 -7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.538 -0.115 -9.339 1.00 0.00 H new ATOM 1969 N ILE A 130 9.923 3.485 -6.622 1.00 0.00 N ATOM 1970 CA ILE A 130 8.670 2.954 -6.097 1.00 0.00 C ATOM 1971 C ILE A 130 7.652 3.973 -5.594 1.00 0.00 C ATOM 1972 O ILE A 130 6.450 3.708 -5.691 1.00 0.00 O ATOM 1973 CB ILE A 130 8.980 1.903 -5.011 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.865 2.365 -3.835 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.483 0.625 -5.701 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.442 1.220 -2.984 1.00 0.00 C ATOM 0 H ILE A 130 10.574 3.783 -5.895 1.00 0.00 H new ATOM 0 HA ILE A 130 8.169 2.507 -6.956 1.00 0.00 H new ATOM 0 HB ILE A 130 8.044 1.703 -4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.689 2.960 -4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.279 3.020 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.708 -0.131 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.713 0.248 -6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.385 0.850 -6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.051 1.635 -2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.626 0.637 -2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 130 11.059 0.576 -3.611 1.00 0.00 H new ATOM 1988 N SER A 131 8.086 5.089 -5.035 1.00 0.00 N ATOM 1989 CA SER A 131 7.246 6.054 -4.360 1.00 0.00 C ATOM 1990 C SER A 131 6.803 7.181 -5.306 1.00 0.00 C ATOM 1991 O SER A 131 6.106 8.107 -4.828 1.00 0.00 O ATOM 1992 CB SER A 131 8.025 6.582 -3.160 1.00 0.00 C ATOM 1993 OG SER A 131 8.437 5.489 -2.343 1.00 0.00 O ATOM 1994 OXT SER A 131 7.138 7.154 -6.515 1.00 0.00 O ATOM 0 H SER A 131 9.071 5.355 -5.041 1.00 0.00 H new ATOM 0 HA SER A 131 6.324 5.581 -4.021 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.895 7.146 -3.497 1.00 0.00 H new ATOM 0 HB3 SER A 131 7.404 7.268 -2.583 1.00 0.00 H new ATOM 0 HG SER A 131 8.797 5.830 -1.498 1.00 0.00 H new TER 2000 SER A 131