USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 952 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= 0.0556 USER MOD Set 1.2: A 93 GLN : amide:sc= 0.929 K(o=0.98,f=-3!) USER MOD Set 2.1: A 78 SER OG : rot -99:sc= 1.59 USER MOD Set 2.2: A 80 CYS SG : rot 89:sc= 0.413 USER MOD Set 3.1: A 16 GLN : amide:sc= -0.795 X(o=-0.16,f=-0.22) USER MOD Set 3.2: A 34 SER OG : rot 19:sc= 0.634 USER MOD Set 4.1: A 8 CYS SG : rot 71:sc= 0.0136 USER MOD Set 4.2: A 15 SER OG : rot -130:sc= -0.156 USER MOD Set 5.1: A 11 ASN : amide:sc= 0.711 K(o=-0.0058,f=-8.6!) USER MOD Set 5.2: A 13 CYS SG : rot -164:sc= -0.867 USER MOD Set 5.3: A 43 HIS : no HD1:sc= 0.15 K(o=-0.0058,f=-8.6) USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0301) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.129 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 1.29 (180deg=1.27) USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 1.33 (180deg=1.29) USER MOD Single : A 5 MET CE :methyl -176:sc= -0.307 (180deg=-0.34) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0816 USER MOD Single : A 17 MET CE :methyl 174:sc= -2.23 (180deg=-2.34) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= 1.24 (180deg=1.19) USER MOD Single : A 24 THR OG1 : rot 98:sc= 0.6 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 1.19 (180deg=1.14) USER MOD Single : A 33 THR OG1 : rot 72:sc= 0.649 USER MOD Single : A 35 CYS SG : rot -85:sc= 0.329 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 168:sc= -0.882 (180deg=-1.39) USER MOD Single : A 50 MET CE :methyl -146:sc= -0.0679 (180deg=-0.359) USER MOD Single : A 58 SER OG : rot 69:sc= 1.24 USER MOD Single : A 60 GLN : amide:sc= 1.55 K(o=1.6,f=-3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.105 USER MOD Single : A 67 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.268 X(o=0.27,f=-0.076) USER MOD Single : A 73 TYR OH : rot 82:sc= 0.597 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 100 GLN : amide:sc= 0.411 X(o=0.41,f=0) USER MOD Single : A 107 GLN : amide:sc= -1.28! X(o=-1.3!,f=-1.1) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 118 GLN : amide:sc= 1.48 K(o=1.5,f=-0.038) USER MOD Single : A 120 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.17) USER MOD Single : A 125 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 84:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.719 -2.134 1.779 1.00 0.00 N ATOM 2 CA MET A 1 1.460 -1.259 0.816 1.00 0.00 C ATOM 3 C MET A 1 2.753 -1.971 0.364 1.00 0.00 C ATOM 4 O MET A 1 3.192 -2.871 1.073 1.00 0.00 O ATOM 5 CB MET A 1 1.727 0.133 1.456 1.00 0.00 C ATOM 6 CG MET A 1 1.938 1.262 0.441 1.00 0.00 C ATOM 7 SD MET A 1 0.534 1.541 -0.678 1.00 0.00 S ATOM 8 CE MET A 1 1.060 3.071 -1.500 1.00 0.00 C ATOM 0 H1 MET A 1 -0.113 -2.543 1.307 1.00 0.00 H new ATOM 0 H2 MET A 1 1.344 -2.900 2.104 1.00 0.00 H new ATOM 0 H3 MET A 1 0.411 -1.568 2.596 1.00 0.00 H new ATOM 0 HA MET A 1 0.858 -1.083 -0.076 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.886 0.391 2.100 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.608 0.064 2.094 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.145 2.186 0.982 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.822 1.037 -0.155 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.271 3.414 -2.169 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.259 3.837 -0.750 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.967 2.882 -2.075 1.00 0.00 H new ATOM 18 N LYS A 2 3.370 -1.613 -0.783 1.00 0.00 N ATOM 19 CA LYS A 2 4.539 -2.333 -1.345 1.00 0.00 C ATOM 20 C LYS A 2 5.583 -2.547 -0.262 1.00 0.00 C ATOM 21 O LYS A 2 6.005 -1.561 0.340 1.00 0.00 O ATOM 22 CB LYS A 2 5.202 -1.616 -2.545 1.00 0.00 C ATOM 23 CG LYS A 2 4.257 -1.151 -3.659 1.00 0.00 C ATOM 24 CD LYS A 2 3.669 0.273 -3.454 1.00 0.00 C ATOM 25 CE LYS A 2 4.600 1.449 -3.843 1.00 0.00 C ATOM 26 NZ LYS A 2 4.297 1.948 -5.218 1.00 0.00 N ATOM 0 H LYS A 2 3.073 -0.817 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 2 4.154 -3.283 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.743 -0.748 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.941 -2.288 -2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.794 -1.175 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.434 -1.862 -3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.751 0.354 -4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.393 0.384 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.483 2.261 -3.125 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.640 1.125 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.958 2.712 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.399 1.170 -5.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.323 2.310 -5.249 1.00 0.00 H new ATOM 40 N LYS A 3 5.968 -3.785 0.025 1.00 0.00 N ATOM 41 CA LYS A 3 6.792 -4.087 1.191 1.00 0.00 C ATOM 42 C LYS A 3 8.238 -4.191 0.739 1.00 0.00 C ATOM 43 O LYS A 3 8.528 -4.831 -0.270 1.00 0.00 O ATOM 44 CB LYS A 3 6.291 -5.345 1.928 1.00 0.00 C ATOM 45 CG LYS A 3 4.764 -5.454 2.087 1.00 0.00 C ATOM 46 CD LYS A 3 4.304 -6.741 2.788 1.00 0.00 C ATOM 47 CE LYS A 3 4.706 -6.831 4.268 1.00 0.00 C ATOM 48 NZ LYS A 3 4.156 -8.058 4.905 1.00 0.00 N ATOM 0 H LYS A 3 5.722 -4.600 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 3 6.718 -3.284 1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.647 -6.225 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.745 -5.370 2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.405 -4.595 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.301 -5.403 1.102 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.219 -6.814 2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.719 -7.598 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.793 -6.831 4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.345 -5.950 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.487 -8.116 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.117 -8.021 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.480 -8.896 4.381 1.00 0.00 H new ATOM 62 N VAL A 4 9.138 -3.586 1.506 1.00 0.00 N ATOM 63 CA VAL A 4 10.569 -3.607 1.259 1.00 0.00 C ATOM 64 C VAL A 4 11.232 -4.389 2.386 1.00 0.00 C ATOM 65 O VAL A 4 10.695 -4.458 3.494 1.00 0.00 O ATOM 66 CB VAL A 4 11.150 -2.188 1.130 1.00 0.00 C ATOM 67 CG1 VAL A 4 12.588 -2.264 0.583 1.00 0.00 C ATOM 68 CG2 VAL A 4 10.300 -1.269 0.228 1.00 0.00 C ATOM 0 H VAL A 4 8.882 -3.054 2.338 1.00 0.00 H new ATOM 0 HA VAL A 4 10.768 -4.096 0.305 1.00 0.00 H new ATOM 0 HB VAL A 4 11.144 -1.750 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.997 -1.258 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.207 -2.847 1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.580 -2.741 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.761 -0.283 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.242 -1.695 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.296 -1.179 0.643 1.00 0.00 H new ATOM 78 N MET A 5 12.418 -4.931 2.125 1.00 0.00 N ATOM 79 CA MET A 5 13.208 -5.651 3.095 1.00 0.00 C ATOM 80 C MET A 5 14.638 -5.167 2.946 1.00 0.00 C ATOM 81 O MET A 5 15.117 -5.059 1.816 1.00 0.00 O ATOM 82 CB MET A 5 13.107 -7.138 2.772 1.00 0.00 C ATOM 83 CG MET A 5 13.913 -8.013 3.735 1.00 0.00 C ATOM 84 SD MET A 5 13.493 -7.853 5.489 1.00 0.00 S ATOM 85 CE MET A 5 11.945 -8.799 5.520 1.00 0.00 C ATOM 0 H MET A 5 12.860 -4.875 1.207 1.00 0.00 H new ATOM 0 HA MET A 5 12.866 -5.487 4.117 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.060 -7.441 2.803 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.458 -7.308 1.754 1.00 0.00 H new ATOM 0 HG2 MET A 5 13.783 -9.055 3.444 1.00 0.00 H new ATOM 0 HG3 MET A 5 14.970 -7.777 3.611 1.00 0.00 H new ATOM 0 HE1 MET A 5 11.506 -8.746 6.516 1.00 0.00 H new ATOM 0 HE2 MET A 5 11.248 -8.381 4.793 1.00 0.00 H new ATOM 0 HE3 MET A 5 12.150 -9.840 5.269 1.00 0.00 H new ATOM 95 N PHE A 6 15.316 -4.940 4.068 1.00 0.00 N ATOM 96 CA PHE A 6 16.710 -4.530 4.103 1.00 0.00 C ATOM 97 C PHE A 6 17.458 -5.617 4.871 1.00 0.00 C ATOM 98 O PHE A 6 17.148 -5.856 6.037 1.00 0.00 O ATOM 99 CB PHE A 6 16.847 -3.148 4.751 1.00 0.00 C ATOM 100 CG PHE A 6 16.162 -2.076 3.938 1.00 0.00 C ATOM 101 CD1 PHE A 6 16.860 -1.382 2.934 1.00 0.00 C ATOM 102 CD2 PHE A 6 14.785 -1.876 4.100 1.00 0.00 C ATOM 103 CE1 PHE A 6 16.174 -0.478 2.106 1.00 0.00 C ATOM 104 CE2 PHE A 6 14.093 -1.023 3.238 1.00 0.00 C ATOM 105 CZ PHE A 6 14.787 -0.299 2.253 1.00 0.00 C ATOM 0 H PHE A 6 14.900 -5.039 4.994 1.00 0.00 H new ATOM 0 HA PHE A 6 17.131 -4.428 3.103 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.419 -3.173 5.753 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.903 -2.901 4.861 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.919 -1.543 2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 6 14.257 -2.383 4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 6 16.713 0.081 1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 6 13.022 -0.919 3.328 1.00 0.00 H new ATOM 0 HZ PHE A 6 14.258 0.391 1.613 1.00 0.00 H new ATOM 115 N VAL A 7 18.395 -6.308 4.229 1.00 0.00 N ATOM 116 CA VAL A 7 19.017 -7.511 4.792 1.00 0.00 C ATOM 117 C VAL A 7 20.368 -7.103 5.383 1.00 0.00 C ATOM 118 O VAL A 7 21.134 -6.393 4.728 1.00 0.00 O ATOM 119 CB VAL A 7 19.144 -8.597 3.702 1.00 0.00 C ATOM 120 CG1 VAL A 7 19.485 -9.968 4.292 1.00 0.00 C ATOM 121 CG2 VAL A 7 17.853 -8.733 2.864 1.00 0.00 C ATOM 0 H VAL A 7 18.747 -6.054 3.306 1.00 0.00 H new ATOM 0 HA VAL A 7 18.407 -7.943 5.585 1.00 0.00 H new ATOM 0 HB VAL A 7 19.960 -8.268 3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 7 19.564 -10.700 3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 7 20.434 -9.909 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.699 -10.272 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 7 17.989 -9.508 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 7 17.022 -9.003 3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 7 17.636 -7.784 2.374 1.00 0.00 H new ATOM 131 N CYS A 8 20.665 -7.529 6.612 1.00 0.00 N ATOM 132 CA CYS A 8 21.801 -7.045 7.384 1.00 0.00 C ATOM 133 C CYS A 8 22.880 -8.109 7.585 1.00 0.00 C ATOM 134 O CYS A 8 22.618 -9.228 8.031 1.00 0.00 O ATOM 135 CB CYS A 8 21.272 -6.452 8.709 1.00 0.00 C ATOM 136 SG CYS A 8 22.567 -6.058 9.928 1.00 0.00 S ATOM 0 H CYS A 8 20.112 -8.231 7.103 1.00 0.00 H new ATOM 0 HA CYS A 8 22.309 -6.259 6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 8 20.710 -5.544 8.488 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.573 -7.159 9.156 1.00 0.00 H new ATOM 0 HG CYS A 8 23.252 -5.032 9.517 1.00 0.00 H new ATOM 142 N LYS A 9 24.109 -7.672 7.295 1.00 0.00 N ATOM 143 CA LYS A 9 25.396 -8.304 7.561 1.00 0.00 C ATOM 144 C LYS A 9 26.287 -7.136 7.981 1.00 0.00 C ATOM 145 O LYS A 9 26.075 -6.018 7.492 1.00 0.00 O ATOM 146 CB LYS A 9 25.940 -9.043 6.322 1.00 0.00 C ATOM 147 CG LYS A 9 25.199 -10.353 5.993 1.00 0.00 C ATOM 148 CD LYS A 9 25.249 -11.436 7.089 1.00 0.00 C ATOM 149 CE LYS A 9 26.683 -11.896 7.416 1.00 0.00 C ATOM 150 NZ LYS A 9 26.720 -12.866 8.541 1.00 0.00 N ATOM 0 H LYS A 9 24.235 -6.778 6.821 1.00 0.00 H new ATOM 0 HA LYS A 9 25.338 -9.078 8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 9 25.879 -8.378 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.995 -9.265 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.155 -10.118 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.620 -10.768 5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 9 24.782 -11.050 7.995 1.00 0.00 H new ATOM 0 HD3 LYS A 9 24.661 -12.296 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.127 -12.352 6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 9 27.293 -11.028 7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 27.704 -13.147 8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.321 -12.424 9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.161 -13.707 8.293 1.00 0.00 H new ATOM 164 N ARG A 10 27.292 -7.375 8.823 1.00 0.00 N ATOM 165 CA ARG A 10 28.068 -6.319 9.492 1.00 0.00 C ATOM 166 C ARG A 10 27.132 -5.430 10.314 1.00 0.00 C ATOM 167 O ARG A 10 25.985 -5.801 10.561 1.00 0.00 O ATOM 168 CB ARG A 10 29.037 -5.616 8.506 1.00 0.00 C ATOM 169 CG ARG A 10 30.266 -6.469 8.152 1.00 0.00 C ATOM 170 CD ARG A 10 31.284 -6.543 9.303 1.00 0.00 C ATOM 171 NE ARG A 10 32.464 -7.340 8.931 1.00 0.00 N ATOM 172 CZ ARG A 10 33.528 -7.596 9.709 1.00 0.00 C ATOM 173 NH1 ARG A 10 33.594 -7.169 10.970 1.00 0.00 N ATOM 174 NH2 ARG A 10 34.539 -8.308 9.214 1.00 0.00 N ATOM 0 H ARG A 10 27.598 -8.317 9.066 1.00 0.00 H new ATOM 0 HA ARG A 10 28.752 -6.740 10.228 1.00 0.00 H new ATOM 0 HB2 ARG A 10 28.498 -5.370 7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 10 29.370 -4.675 8.943 1.00 0.00 H new ATOM 0 HG2 ARG A 10 29.942 -7.477 7.893 1.00 0.00 H new ATOM 0 HG3 ARG A 10 30.751 -6.053 7.269 1.00 0.00 H new ATOM 0 HD2 ARG A 10 31.596 -5.536 9.579 1.00 0.00 H new ATOM 0 HD3 ARG A 10 30.810 -6.981 10.181 1.00 0.00 H new ATOM 0 HE ARG A 10 32.475 -7.736 7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 10 32.823 -6.632 11.368 1.00 0.00 H new ATOM 0 HH12 ARG A 10 34.415 -7.379 11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 10 34.499 -8.652 8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 10 35.353 -8.510 9.794 1.00 0.00 H new ATOM 188 N ASN A 11 27.650 -4.315 10.830 1.00 0.00 N ATOM 189 CA ASN A 11 26.932 -3.526 11.826 1.00 0.00 C ATOM 190 C ASN A 11 25.573 -3.051 11.341 1.00 0.00 C ATOM 191 O ASN A 11 25.476 -2.429 10.284 1.00 0.00 O ATOM 192 CB ASN A 11 27.785 -2.349 12.318 1.00 0.00 C ATOM 193 CG ASN A 11 27.240 -1.729 13.608 1.00 0.00 C ATOM 194 OD1 ASN A 11 26.150 -1.163 13.641 1.00 0.00 O ATOM 195 ND2 ASN A 11 27.989 -1.828 14.691 1.00 0.00 N ATOM 0 H ASN A 11 28.563 -3.940 10.574 1.00 0.00 H new ATOM 0 HA ASN A 11 26.743 -4.192 12.668 1.00 0.00 H new ATOM 0 HB2 ASN A 11 28.807 -2.690 12.486 1.00 0.00 H new ATOM 0 HB3 ASN A 11 27.827 -1.585 11.541 1.00 0.00 H new ATOM 0 HD21 ASN A 11 27.665 -1.431 15.573 1.00 0.00 H new ATOM 0 HD22 ASN A 11 28.891 -2.301 14.645 1.00 0.00 H new ATOM 202 N SER A 12 24.535 -3.275 12.147 1.00 0.00 N ATOM 203 CA SER A 12 23.189 -2.729 11.986 1.00 0.00 C ATOM 204 C SER A 12 23.113 -1.302 11.410 1.00 0.00 C ATOM 205 O SER A 12 22.212 -1.015 10.621 1.00 0.00 O ATOM 206 CB SER A 12 22.561 -2.785 13.373 1.00 0.00 C ATOM 207 OG SER A 12 22.681 -4.114 13.875 1.00 0.00 O ATOM 0 H SER A 12 24.615 -3.872 12.970 1.00 0.00 H new ATOM 0 HA SER A 12 22.660 -3.323 11.241 1.00 0.00 H new ATOM 0 HB2 SER A 12 23.058 -2.082 14.042 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.512 -2.492 13.325 1.00 0.00 H new ATOM 0 HG SER A 12 22.282 -4.163 14.769 1.00 0.00 H new ATOM 213 N CYS A 13 24.064 -0.419 11.743 1.00 0.00 N ATOM 214 CA CYS A 13 24.106 0.977 11.295 1.00 0.00 C ATOM 215 C CYS A 13 24.214 1.179 9.776 1.00 0.00 C ATOM 216 O CYS A 13 24.058 2.317 9.339 1.00 0.00 O ATOM 217 CB CYS A 13 25.249 1.719 12.008 1.00 0.00 C ATOM 218 SG CYS A 13 26.832 1.051 11.464 1.00 0.00 S ATOM 0 H CYS A 13 24.847 -0.664 12.349 1.00 0.00 H new ATOM 0 HA CYS A 13 23.136 1.394 11.567 1.00 0.00 H new ATOM 0 HB2 CYS A 13 25.197 2.785 11.788 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.149 1.611 13.088 1.00 0.00 H new ATOM 0 HG CYS A 13 27.767 1.427 12.285 1.00 0.00 H new ATOM 224 N ARG A 14 24.456 0.136 8.969 1.00 0.00 N ATOM 225 CA ARG A 14 24.384 0.257 7.498 1.00 0.00 C ATOM 226 C ARG A 14 23.052 -0.284 6.972 1.00 0.00 C ATOM 227 O ARG A 14 22.292 0.436 6.336 1.00 0.00 O ATOM 228 CB ARG A 14 25.665 -0.325 6.817 1.00 0.00 C ATOM 229 CG ARG A 14 25.881 -1.853 6.898 1.00 0.00 C ATOM 230 CD ARG A 14 27.286 -2.337 6.480 1.00 0.00 C ATOM 231 NE ARG A 14 27.418 -2.593 5.036 1.00 0.00 N ATOM 232 CZ ARG A 14 27.043 -3.695 4.370 1.00 0.00 C ATOM 233 NH1 ARG A 14 26.400 -4.698 4.968 1.00 0.00 N ATOM 234 NH2 ARG A 14 27.310 -3.804 3.078 1.00 0.00 N ATOM 0 H ARG A 14 24.702 -0.796 9.303 1.00 0.00 H new ATOM 0 HA ARG A 14 24.386 1.310 7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 14 25.645 -0.043 5.764 1.00 0.00 H new ATOM 0 HB3 ARG A 14 26.533 0.162 7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.691 -2.178 7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.141 -2.343 6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 14 28.021 -1.589 6.776 1.00 0.00 H new ATOM 0 HD3 ARG A 14 27.523 -3.251 7.025 1.00 0.00 H new ATOM 0 HE ARG A 14 27.842 -1.850 4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.179 -4.641 5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 14 26.129 -5.522 4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 14 27.799 -3.052 2.593 1.00 0.00 H new ATOM 0 HH22 ARG A 14 27.027 -4.640 2.567 1.00 0.00 H new ATOM 248 N SER A 15 22.687 -1.511 7.325 1.00 0.00 N ATOM 249 CA SER A 15 21.568 -2.212 6.697 1.00 0.00 C ATOM 250 C SER A 15 20.250 -2.056 7.444 1.00 0.00 C ATOM 251 O SER A 15 19.264 -1.627 6.845 1.00 0.00 O ATOM 252 CB SER A 15 21.983 -3.675 6.553 1.00 0.00 C ATOM 253 OG SER A 15 22.805 -4.046 7.657 1.00 0.00 O ATOM 0 H SER A 15 23.156 -2.049 8.053 1.00 0.00 H new ATOM 0 HA SER A 15 21.365 -1.768 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 15 21.100 -4.313 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.524 -3.820 5.618 1.00 0.00 H new ATOM 0 HG SER A 15 23.618 -4.483 7.327 1.00 0.00 H new ATOM 259 N GLN A 16 20.199 -2.314 8.752 1.00 0.00 N ATOM 260 CA GLN A 16 18.954 -2.023 9.463 1.00 0.00 C ATOM 261 C GLN A 16 18.739 -0.503 9.548 1.00 0.00 C ATOM 262 O GLN A 16 17.604 -0.045 9.646 1.00 0.00 O ATOM 263 CB GLN A 16 18.839 -2.775 10.791 1.00 0.00 C ATOM 264 CG GLN A 16 19.017 -4.309 10.662 1.00 0.00 C ATOM 265 CD GLN A 16 17.908 -5.190 11.279 1.00 0.00 C ATOM 266 OE1 GLN A 16 17.825 -6.373 10.966 1.00 0.00 O ATOM 267 NE2 GLN A 16 17.063 -4.697 12.180 1.00 0.00 N ATOM 0 H GLN A 16 20.957 -2.701 9.314 1.00 0.00 H new ATOM 0 HA GLN A 16 18.116 -2.416 8.887 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.589 -2.389 11.482 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.863 -2.568 11.231 1.00 0.00 H new ATOM 0 HG2 GLN A 16 19.097 -4.554 9.603 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.965 -4.582 11.125 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.121 -3.715 12.450 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.357 -5.301 12.601 1.00 0.00 H new ATOM 276 N MET A 17 19.798 0.306 9.416 1.00 0.00 N ATOM 277 CA MET A 17 19.661 1.754 9.234 1.00 0.00 C ATOM 278 C MET A 17 18.944 2.022 7.930 1.00 0.00 C ATOM 279 O MET A 17 18.128 2.931 7.862 1.00 0.00 O ATOM 280 CB MET A 17 21.037 2.404 9.137 1.00 0.00 C ATOM 281 CG MET A 17 21.047 3.841 8.576 1.00 0.00 C ATOM 282 SD MET A 17 20.368 5.197 9.574 1.00 0.00 S ATOM 283 CE MET A 17 18.559 5.117 9.656 1.00 0.00 C ATOM 0 H MET A 17 20.764 -0.022 9.432 1.00 0.00 H new ATOM 0 HA MET A 17 19.109 2.160 10.082 1.00 0.00 H new ATOM 0 HB2 MET A 17 21.486 2.416 10.130 1.00 0.00 H new ATOM 0 HB3 MET A 17 21.672 1.781 8.507 1.00 0.00 H new ATOM 0 HG2 MET A 17 22.082 4.093 8.344 1.00 0.00 H new ATOM 0 HG3 MET A 17 20.503 3.826 7.632 1.00 0.00 H new ATOM 0 HE1 MET A 17 18.192 5.877 10.346 1.00 0.00 H new ATOM 0 HE2 MET A 17 18.142 5.294 8.665 1.00 0.00 H new ATOM 0 HE3 MET A 17 18.254 4.131 10.007 1.00 0.00 H new ATOM 293 N ALA A 18 19.243 1.263 6.884 1.00 0.00 N ATOM 294 CA ALA A 18 18.566 1.459 5.623 1.00 0.00 C ATOM 295 C ALA A 18 17.062 1.298 5.812 1.00 0.00 C ATOM 296 O ALA A 18 16.313 2.121 5.302 1.00 0.00 O ATOM 297 CB ALA A 18 19.173 0.509 4.597 1.00 0.00 C ATOM 0 H ALA A 18 19.940 0.518 6.889 1.00 0.00 H new ATOM 0 HA ALA A 18 18.706 2.471 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.674 0.643 3.637 1.00 0.00 H new ATOM 0 HB2 ALA A 18 20.236 0.724 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.044 -0.520 4.933 1.00 0.00 H new ATOM 303 N GLU A 19 16.623 0.355 6.653 1.00 0.00 N ATOM 304 CA GLU A 19 15.212 0.302 7.043 1.00 0.00 C ATOM 305 C GLU A 19 14.797 1.583 7.770 1.00 0.00 C ATOM 306 O GLU A 19 13.711 2.088 7.507 1.00 0.00 O ATOM 307 CB GLU A 19 14.911 -0.925 7.919 1.00 0.00 C ATOM 308 CG GLU A 19 13.404 -1.127 8.164 1.00 0.00 C ATOM 309 CD GLU A 19 13.056 -1.608 9.583 1.00 0.00 C ATOM 310 OE1 GLU A 19 13.066 -0.764 10.515 1.00 0.00 O ATOM 311 OE2 GLU A 19 12.718 -2.796 9.769 1.00 0.00 O ATOM 0 H GLU A 19 17.211 -0.367 7.069 1.00 0.00 H new ATOM 0 HA GLU A 19 14.628 0.214 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.320 -1.816 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.419 -0.815 8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.887 -0.186 7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.024 -1.851 7.443 1.00 0.00 H new ATOM 318 N GLY A 20 15.625 2.157 8.648 1.00 0.00 N ATOM 319 CA GLY A 20 15.250 3.337 9.417 1.00 0.00 C ATOM 320 C GLY A 20 15.066 4.551 8.519 1.00 0.00 C ATOM 321 O GLY A 20 14.081 5.271 8.640 1.00 0.00 O ATOM 0 H GLY A 20 16.567 1.816 8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 20 14.325 3.141 9.959 1.00 0.00 H new ATOM 0 HA3 GLY A 20 16.018 3.547 10.162 1.00 0.00 H new ATOM 325 N PHE A 21 15.963 4.753 7.555 1.00 0.00 N ATOM 326 CA PHE A 21 15.796 5.807 6.563 1.00 0.00 C ATOM 327 C PHE A 21 14.606 5.465 5.685 1.00 0.00 C ATOM 328 O PHE A 21 13.842 6.359 5.346 1.00 0.00 O ATOM 329 CB PHE A 21 17.058 5.981 5.710 1.00 0.00 C ATOM 330 CG PHE A 21 18.124 6.879 6.300 1.00 0.00 C ATOM 331 CD1 PHE A 21 17.844 8.230 6.578 1.00 0.00 C ATOM 332 CD2 PHE A 21 19.428 6.395 6.500 1.00 0.00 C ATOM 333 CE1 PHE A 21 18.844 9.076 7.093 1.00 0.00 C ATOM 334 CE2 PHE A 21 20.428 7.241 6.995 1.00 0.00 C ATOM 335 CZ PHE A 21 20.138 8.579 7.310 1.00 0.00 C ATOM 0 H PHE A 21 16.812 4.199 7.442 1.00 0.00 H new ATOM 0 HA PHE A 21 15.622 6.752 7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 21 17.494 4.998 5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 21 16.767 6.381 4.739 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.854 8.621 6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 21 19.660 5.365 6.271 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.616 10.107 7.321 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.430 6.862 7.136 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.906 9.221 7.716 1.00 0.00 H new ATOM 345 N ALA A 22 14.402 4.202 5.320 1.00 0.00 N ATOM 346 CA ALA A 22 13.356 3.868 4.369 1.00 0.00 C ATOM 347 C ALA A 22 11.985 4.041 5.005 1.00 0.00 C ATOM 348 O ALA A 22 11.099 4.598 4.373 1.00 0.00 O ATOM 349 CB ALA A 22 13.597 2.468 3.817 1.00 0.00 C ATOM 0 H ALA A 22 14.940 3.407 5.664 1.00 0.00 H new ATOM 0 HA ALA A 22 13.383 4.553 3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.812 2.218 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.565 2.436 3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.587 1.748 4.635 1.00 0.00 H new ATOM 355 N LYS A 23 11.795 3.657 6.266 1.00 0.00 N ATOM 356 CA LYS A 23 10.524 3.838 6.966 1.00 0.00 C ATOM 357 C LYS A 23 10.257 5.304 7.317 1.00 0.00 C ATOM 358 O LYS A 23 9.130 5.666 7.636 1.00 0.00 O ATOM 359 CB LYS A 23 10.459 2.892 8.176 1.00 0.00 C ATOM 360 CG LYS A 23 11.214 3.405 9.412 1.00 0.00 C ATOM 361 CD LYS A 23 11.619 2.285 10.380 1.00 0.00 C ATOM 362 CE LYS A 23 10.434 1.441 10.883 1.00 0.00 C ATOM 363 NZ LYS A 23 10.878 0.365 11.815 1.00 0.00 N ATOM 0 H LYS A 23 12.518 3.212 6.831 1.00 0.00 H new ATOM 0 HA LYS A 23 9.710 3.565 6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.414 2.731 8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.868 1.923 7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.108 3.938 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.588 4.124 9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.335 1.630 9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.130 2.725 11.237 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.716 2.087 11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.918 0.995 10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.140 -0.365 11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.757 -0.062 11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.048 0.770 12.758 1.00 0.00 H new ATOM 377 N THR A 24 11.290 6.136 7.249 1.00 0.00 N ATOM 378 CA THR A 24 11.237 7.572 7.445 1.00 0.00 C ATOM 379 C THR A 24 10.856 8.254 6.126 1.00 0.00 C ATOM 380 O THR A 24 9.929 9.060 6.080 1.00 0.00 O ATOM 381 CB THR A 24 12.641 7.964 7.952 1.00 0.00 C ATOM 382 OG1 THR A 24 12.737 7.685 9.334 1.00 0.00 O ATOM 383 CG2 THR A 24 13.095 9.391 7.676 1.00 0.00 C ATOM 0 H THR A 24 12.233 5.806 7.045 1.00 0.00 H new ATOM 0 HA THR A 24 10.483 7.887 8.166 1.00 0.00 H new ATOM 0 HB THR A 24 13.325 7.353 7.363 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.182 6.822 9.463 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.096 9.539 8.082 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.110 9.566 6.600 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.405 10.090 8.148 1.00 0.00 H new ATOM 391 N LEU A 25 11.560 7.908 5.046 1.00 0.00 N ATOM 392 CA LEU A 25 11.501 8.600 3.766 1.00 0.00 C ATOM 393 C LEU A 25 10.410 8.049 2.847 1.00 0.00 C ATOM 394 O LEU A 25 9.898 8.777 1.998 1.00 0.00 O ATOM 395 CB LEU A 25 12.862 8.472 3.070 1.00 0.00 C ATOM 396 CG LEU A 25 13.996 9.307 3.677 1.00 0.00 C ATOM 397 CD1 LEU A 25 15.289 9.028 2.899 1.00 0.00 C ATOM 398 CD2 LEU A 25 13.725 10.814 3.646 1.00 0.00 C ATOM 0 H LEU A 25 12.203 7.116 5.042 1.00 0.00 H new ATOM 0 HA LEU A 25 11.258 9.644 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.160 7.423 3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.744 8.757 2.025 1.00 0.00 H new ATOM 0 HG LEU A 25 14.080 9.015 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.103 9.617 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 25 15.534 7.968 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 25 15.150 9.300 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 25 14.567 11.344 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.596 11.139 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.819 11.032 4.211 1.00 0.00 H new ATOM 410 N GLY A 26 10.045 6.778 3.025 1.00 0.00 N ATOM 411 CA GLY A 26 9.046 6.049 2.243 1.00 0.00 C ATOM 412 C GLY A 26 7.716 5.932 2.979 1.00 0.00 C ATOM 413 O GLY A 26 6.874 5.112 2.613 1.00 0.00 O ATOM 0 H GLY A 26 10.460 6.200 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.890 6.557 1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.422 5.052 2.014 1.00 0.00 H new ATOM 417 N ALA A 27 7.538 6.710 4.043 1.00 0.00 N ATOM 418 CA ALA A 27 6.390 6.652 4.921 1.00 0.00 C ATOM 419 C ALA A 27 5.138 7.015 4.121 1.00 0.00 C ATOM 420 O ALA A 27 5.092 8.062 3.471 1.00 0.00 O ATOM 421 CB ALA A 27 6.637 7.597 6.105 1.00 0.00 C ATOM 0 H ALA A 27 8.216 7.420 4.321 1.00 0.00 H new ATOM 0 HA ALA A 27 6.237 5.650 5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.781 7.567 6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.532 7.282 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.773 8.614 5.737 1.00 0.00 H new ATOM 427 N GLY A 28 4.139 6.129 4.146 1.00 0.00 N ATOM 428 CA GLY A 28 2.882 6.317 3.426 1.00 0.00 C ATOM 429 C GLY A 28 2.965 5.971 1.940 1.00 0.00 C ATOM 430 O GLY A 28 2.010 6.218 1.201 1.00 0.00 O ATOM 0 H GLY A 28 4.182 5.256 4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.112 5.701 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.566 7.355 3.531 1.00 0.00 H new ATOM 434 N LYS A 29 4.085 5.396 1.487 1.00 0.00 N ATOM 435 CA LYS A 29 4.370 5.072 0.104 1.00 0.00 C ATOM 436 C LYS A 29 4.729 3.607 0.006 1.00 0.00 C ATOM 437 O LYS A 29 4.249 2.930 -0.896 1.00 0.00 O ATOM 438 CB LYS A 29 5.544 5.924 -0.377 1.00 0.00 C ATOM 439 CG LYS A 29 5.212 7.418 -0.430 1.00 0.00 C ATOM 440 CD LYS A 29 4.248 7.732 -1.590 1.00 0.00 C ATOM 441 CE LYS A 29 4.319 9.206 -2.020 1.00 0.00 C ATOM 442 NZ LYS A 29 3.776 9.401 -3.388 1.00 0.00 N ATOM 0 H LYS A 29 4.847 5.136 2.113 1.00 0.00 H new ATOM 0 HA LYS A 29 3.497 5.275 -0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.395 5.769 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.848 5.589 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.763 7.727 0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.130 7.993 -0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.487 7.095 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.228 7.492 -1.288 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.759 9.819 -1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.354 9.546 -1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.006 10.360 -3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.198 8.702 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.743 9.279 -3.372 1.00 0.00 H new ATOM 456 N ILE A 30 5.540 3.110 0.942 1.00 0.00 N ATOM 457 CA ILE A 30 5.983 1.730 1.001 1.00 0.00 C ATOM 458 C ILE A 30 6.064 1.287 2.463 1.00 0.00 C ATOM 459 O ILE A 30 6.241 2.101 3.371 1.00 0.00 O ATOM 460 CB ILE A 30 7.292 1.551 0.184 1.00 0.00 C ATOM 461 CG1 ILE A 30 8.447 2.561 0.392 1.00 0.00 C ATOM 462 CG2 ILE A 30 6.927 1.636 -1.308 1.00 0.00 C ATOM 463 CD1 ILE A 30 9.278 2.344 1.651 1.00 0.00 C ATOM 0 H ILE A 30 5.914 3.681 1.700 1.00 0.00 H new ATOM 0 HA ILE A 30 5.263 1.063 0.526 1.00 0.00 H new ATOM 0 HB ILE A 30 7.679 0.597 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.108 2.516 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.028 3.567 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.827 1.514 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.216 0.847 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.479 2.607 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.060 3.101 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.636 2.421 2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.733 1.354 1.620 1.00 0.00 H new ATOM 475 N ALA A 31 5.882 -0.015 2.676 1.00 0.00 N ATOM 476 CA ALA A 31 6.070 -0.675 3.963 1.00 0.00 C ATOM 477 C ALA A 31 7.526 -1.122 4.007 1.00 0.00 C ATOM 478 O ALA A 31 8.116 -1.395 2.962 1.00 0.00 O ATOM 479 CB ALA A 31 5.099 -1.851 4.094 1.00 0.00 C ATOM 0 H ALA A 31 5.592 -0.656 1.937 1.00 0.00 H new ATOM 0 HA ALA A 31 5.860 -0.010 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.246 -2.338 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.074 -1.486 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.285 -2.567 3.293 1.00 0.00 H new ATOM 485 N VAL A 32 8.115 -1.228 5.191 1.00 0.00 N ATOM 486 CA VAL A 32 9.551 -1.407 5.345 1.00 0.00 C ATOM 487 C VAL A 32 9.841 -2.421 6.460 1.00 0.00 C ATOM 488 O VAL A 32 9.182 -2.400 7.501 1.00 0.00 O ATOM 489 CB VAL A 32 10.167 -0.016 5.639 1.00 0.00 C ATOM 490 CG1 VAL A 32 11.655 0.044 5.342 1.00 0.00 C ATOM 491 CG2 VAL A 32 9.520 1.129 4.836 1.00 0.00 C ATOM 0 H VAL A 32 7.607 -1.192 6.075 1.00 0.00 H new ATOM 0 HA VAL A 32 9.999 -1.810 4.437 1.00 0.00 H new ATOM 0 HB VAL A 32 9.976 0.119 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.031 1.042 5.567 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.179 -0.688 5.957 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.825 -0.179 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.002 2.072 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.641 0.939 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.458 1.187 5.076 1.00 0.00 H new ATOM 501 N THR A 33 10.835 -3.285 6.236 1.00 0.00 N ATOM 502 CA THR A 33 11.157 -4.418 7.107 1.00 0.00 C ATOM 503 C THR A 33 12.676 -4.659 7.080 1.00 0.00 C ATOM 504 O THR A 33 13.335 -4.263 6.115 1.00 0.00 O ATOM 505 CB THR A 33 10.395 -5.671 6.624 1.00 0.00 C ATOM 506 OG1 THR A 33 9.252 -5.366 5.835 1.00 0.00 O ATOM 507 CG2 THR A 33 9.937 -6.552 7.787 1.00 0.00 C ATOM 0 H THR A 33 11.451 -3.214 5.426 1.00 0.00 H new ATOM 0 HA THR A 33 10.853 -4.202 8.131 1.00 0.00 H new ATOM 0 HB THR A 33 11.119 -6.205 6.009 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.539 -5.041 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.406 -7.421 7.398 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.805 -6.883 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.273 -5.981 8.436 1.00 0.00 H new ATOM 515 N SER A 34 13.249 -5.334 8.077 1.00 0.00 N ATOM 516 CA SER A 34 14.673 -5.634 8.121 1.00 0.00 C ATOM 517 C SER A 34 14.909 -6.979 8.805 1.00 0.00 C ATOM 518 O SER A 34 14.076 -7.431 9.597 1.00 0.00 O ATOM 519 CB SER A 34 15.389 -4.494 8.850 1.00 0.00 C ATOM 520 OG SER A 34 16.759 -4.412 8.506 1.00 0.00 O ATOM 0 H SER A 34 12.731 -5.689 8.881 1.00 0.00 H new ATOM 0 HA SER A 34 15.075 -5.713 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.900 -3.550 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.295 -4.639 9.926 1.00 0.00 H new ATOM 0 HG SER A 34 16.913 -4.884 7.661 1.00 0.00 H new ATOM 526 N CYS A 35 16.043 -7.615 8.500 1.00 0.00 N ATOM 527 CA CYS A 35 16.464 -8.865 9.119 1.00 0.00 C ATOM 528 C CYS A 35 17.979 -8.906 9.211 1.00 0.00 C ATOM 529 O CYS A 35 18.665 -8.295 8.392 1.00 0.00 O ATOM 530 CB CYS A 35 15.932 -10.058 8.306 1.00 0.00 C ATOM 531 SG CYS A 35 16.340 -9.958 6.538 1.00 0.00 S ATOM 0 H CYS A 35 16.702 -7.266 7.804 1.00 0.00 H new ATOM 0 HA CYS A 35 16.054 -8.928 10.127 1.00 0.00 H new ATOM 0 HB2 CYS A 35 16.343 -10.981 8.716 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.849 -10.113 8.420 1.00 0.00 H new ATOM 0 HG CYS A 35 15.446 -9.240 5.926 1.00 0.00 H new ATOM 537 N GLY A 36 18.498 -9.656 10.183 1.00 0.00 N ATOM 538 CA GLY A 36 19.902 -9.647 10.569 1.00 0.00 C ATOM 539 C GLY A 36 19.977 -8.939 11.918 1.00 0.00 C ATOM 540 O GLY A 36 19.340 -9.422 12.856 1.00 0.00 O ATOM 0 H GLY A 36 17.935 -10.303 10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 36 20.291 -10.663 10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 36 20.505 -9.128 9.825 1.00 0.00 H new ATOM 624 N VAL A 42 20.185 -4.800 19.933 1.00 0.00 N ATOM 625 CA VAL A 42 20.201 -3.414 19.465 1.00 0.00 C ATOM 626 C VAL A 42 21.594 -2.852 19.758 1.00 0.00 C ATOM 627 O VAL A 42 22.313 -3.391 20.606 1.00 0.00 O ATOM 628 CB VAL A 42 19.008 -2.609 20.054 1.00 0.00 C ATOM 629 CG1 VAL A 42 19.364 -1.447 20.998 1.00 0.00 C ATOM 630 CG2 VAL A 42 18.140 -2.086 18.900 1.00 0.00 C ATOM 0 HA VAL A 42 20.041 -3.338 18.389 1.00 0.00 H new ATOM 0 HB VAL A 42 18.476 -3.318 20.688 1.00 0.00 H new ATOM 0 HG11 VAL A 42 18.449 -0.964 21.342 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.916 -1.831 21.856 1.00 0.00 H new ATOM 0 HG13 VAL A 42 19.979 -0.721 20.466 1.00 0.00 H new ATOM 0 HG21 VAL A 42 17.301 -1.520 19.304 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.739 -1.439 18.259 1.00 0.00 H new ATOM 0 HG23 VAL A 42 17.764 -2.927 18.318 1.00 0.00 H new ATOM 640 N HIS A 43 21.976 -1.777 19.056 1.00 0.00 N ATOM 641 CA HIS A 43 23.340 -1.262 19.064 1.00 0.00 C ATOM 642 C HIS A 43 23.310 0.253 19.267 1.00 0.00 C ATOM 643 O HIS A 43 22.933 0.981 18.345 1.00 0.00 O ATOM 644 CB HIS A 43 24.000 -1.671 17.748 1.00 0.00 C ATOM 645 CG HIS A 43 25.471 -1.352 17.728 1.00 0.00 C ATOM 646 ND1 HIS A 43 26.440 -1.894 18.546 1.00 0.00 N ATOM 647 CD2 HIS A 43 26.087 -0.428 16.932 1.00 0.00 C ATOM 648 CE1 HIS A 43 27.611 -1.307 18.241 1.00 0.00 C ATOM 649 NE2 HIS A 43 27.445 -0.406 17.256 1.00 0.00 N ATOM 0 H HIS A 43 21.340 -1.242 18.465 1.00 0.00 H new ATOM 0 HA HIS A 43 23.925 -1.676 19.885 1.00 0.00 H new ATOM 0 HB2 HIS A 43 23.859 -2.740 17.590 1.00 0.00 H new ATOM 0 HB3 HIS A 43 23.507 -1.159 16.922 1.00 0.00 H new ATOM 0 HD2 HIS A 43 25.606 0.181 16.181 1.00 0.00 H new ATOM 0 HE1 HIS A 43 28.553 -1.528 18.720 1.00 0.00 H new ATOM 0 HE2 HIS A 43 28.166 0.176 16.831 1.00 0.00 H new ATOM 657 N PRO A 44 23.717 0.760 20.439 1.00 0.00 N ATOM 658 CA PRO A 44 23.511 2.151 20.820 1.00 0.00 C ATOM 659 C PRO A 44 24.270 3.115 19.916 1.00 0.00 C ATOM 660 O PRO A 44 23.782 4.218 19.691 1.00 0.00 O ATOM 661 CB PRO A 44 24.003 2.255 22.267 1.00 0.00 C ATOM 662 CG PRO A 44 25.137 1.234 22.273 1.00 0.00 C ATOM 663 CD PRO A 44 24.530 0.096 21.448 1.00 0.00 C ATOM 0 HA PRO A 44 22.462 2.429 20.722 1.00 0.00 H new ATOM 0 HB2 PRO A 44 24.352 3.258 22.511 1.00 0.00 H new ATOM 0 HB3 PRO A 44 23.222 2.006 22.985 1.00 0.00 H new ATOM 0 HG2 PRO A 44 26.046 1.629 21.820 1.00 0.00 H new ATOM 0 HG3 PRO A 44 25.396 0.915 23.283 1.00 0.00 H new ATOM 0 HD2 PRO A 44 25.306 -0.518 20.990 1.00 0.00 H new ATOM 0 HD3 PRO A 44 23.926 -0.565 22.070 1.00 0.00 H new ATOM 671 N THR A 45 25.420 2.722 19.360 1.00 0.00 N ATOM 672 CA THR A 45 26.168 3.616 18.493 1.00 0.00 C ATOM 673 C THR A 45 25.354 3.888 17.226 1.00 0.00 C ATOM 674 O THR A 45 25.330 5.021 16.750 1.00 0.00 O ATOM 675 CB THR A 45 27.566 3.050 18.175 1.00 0.00 C ATOM 676 OG1 THR A 45 28.180 2.629 19.384 1.00 0.00 O ATOM 677 CG2 THR A 45 28.434 4.110 17.481 1.00 0.00 C ATOM 0 H THR A 45 25.842 1.804 19.496 1.00 0.00 H new ATOM 0 HA THR A 45 26.332 4.563 19.008 1.00 0.00 H new ATOM 0 HB THR A 45 27.465 2.201 17.499 1.00 0.00 H new ATOM 0 HG1 THR A 45 29.069 2.266 19.190 1.00 0.00 H new ATOM 0 HG21 THR A 45 29.417 3.691 17.265 1.00 0.00 H new ATOM 0 HG22 THR A 45 27.958 4.417 16.550 1.00 0.00 H new ATOM 0 HG23 THR A 45 28.544 4.975 18.135 1.00 0.00 H new ATOM 685 N ALA A 46 24.618 2.888 16.707 1.00 0.00 N ATOM 686 CA ALA A 46 23.751 3.121 15.560 1.00 0.00 C ATOM 687 C ALA A 46 22.637 4.070 15.978 1.00 0.00 C ATOM 688 O ALA A 46 22.391 5.045 15.281 1.00 0.00 O ATOM 689 CB ALA A 46 23.194 1.804 14.979 1.00 0.00 C ATOM 0 H ALA A 46 24.612 1.932 17.062 1.00 0.00 H new ATOM 0 HA ALA A 46 24.333 3.576 14.759 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.553 2.025 14.126 1.00 0.00 H new ATOM 0 HB2 ALA A 46 24.020 1.170 14.657 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.615 1.285 15.743 1.00 0.00 H new ATOM 695 N ILE A 47 22.029 3.852 17.147 1.00 0.00 N ATOM 696 CA ILE A 47 20.933 4.706 17.617 1.00 0.00 C ATOM 697 C ILE A 47 21.424 6.150 17.700 1.00 0.00 C ATOM 698 O ILE A 47 20.771 7.028 17.149 1.00 0.00 O ATOM 699 CB ILE A 47 20.356 4.220 18.961 1.00 0.00 C ATOM 700 CG1 ILE A 47 19.375 3.051 18.809 1.00 0.00 C ATOM 701 CG2 ILE A 47 19.605 5.321 19.742 1.00 0.00 C ATOM 702 CD1 ILE A 47 19.944 1.698 18.409 1.00 0.00 C ATOM 0 H ILE A 47 22.275 3.094 17.784 1.00 0.00 H new ATOM 0 HA ILE A 47 20.113 4.650 16.901 1.00 0.00 H new ATOM 0 HB ILE A 47 21.243 3.906 19.511 1.00 0.00 H new ATOM 0 HG12 ILE A 47 18.851 2.928 19.757 1.00 0.00 H new ATOM 0 HG13 ILE A 47 18.629 3.334 18.067 1.00 0.00 H new ATOM 0 HG21 ILE A 47 19.226 4.909 20.677 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.287 6.144 19.958 1.00 0.00 H new ATOM 0 HG23 ILE A 47 18.772 5.688 19.143 1.00 0.00 H new ATOM 0 HD11 ILE A 47 19.136 0.970 18.340 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.439 1.783 17.442 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.665 1.371 19.158 1.00 0.00 H new ATOM 714 N ALA A 48 22.579 6.400 18.321 1.00 0.00 N ATOM 715 CA ALA A 48 23.099 7.752 18.459 1.00 0.00 C ATOM 716 C ALA A 48 23.360 8.376 17.094 1.00 0.00 C ATOM 717 O ALA A 48 22.968 9.514 16.847 1.00 0.00 O ATOM 718 CB ALA A 48 24.378 7.750 19.287 1.00 0.00 C ATOM 0 H ALA A 48 23.169 5.679 18.735 1.00 0.00 H new ATOM 0 HA ALA A 48 22.348 8.351 18.974 1.00 0.00 H new ATOM 0 HB1 ALA A 48 24.753 8.769 19.380 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.169 7.348 20.279 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.129 7.131 18.796 1.00 0.00 H new ATOM 724 N MET A 49 23.979 7.618 16.192 1.00 0.00 N ATOM 725 CA MET A 49 24.228 8.056 14.828 1.00 0.00 C ATOM 726 C MET A 49 22.943 8.407 14.104 1.00 0.00 C ATOM 727 O MET A 49 22.993 9.220 13.182 1.00 0.00 O ATOM 728 CB MET A 49 24.976 6.972 14.050 1.00 0.00 C ATOM 729 CG MET A 49 26.431 6.858 14.495 1.00 0.00 C ATOM 730 SD MET A 49 27.505 8.115 13.756 1.00 0.00 S ATOM 731 CE MET A 49 27.702 9.209 15.179 1.00 0.00 C ATOM 0 H MET A 49 24.322 6.678 16.391 1.00 0.00 H new ATOM 0 HA MET A 49 24.841 8.956 14.884 1.00 0.00 H new ATOM 0 HB2 MET A 49 24.477 6.013 14.191 1.00 0.00 H new ATOM 0 HB3 MET A 49 24.938 7.198 12.984 1.00 0.00 H new ATOM 0 HG2 MET A 49 26.479 6.941 15.581 1.00 0.00 H new ATOM 0 HG3 MET A 49 26.807 5.869 14.234 1.00 0.00 H new ATOM 0 HE1 MET A 49 28.500 9.925 14.980 1.00 0.00 H new ATOM 0 HE2 MET A 49 26.770 9.745 15.358 1.00 0.00 H new ATOM 0 HE3 MET A 49 27.956 8.619 16.059 1.00 0.00 H new ATOM 741 N MET A 50 21.805 7.836 14.489 1.00 0.00 N ATOM 742 CA MET A 50 20.556 8.098 13.796 1.00 0.00 C ATOM 743 C MET A 50 19.805 9.199 14.531 1.00 0.00 C ATOM 744 O MET A 50 19.096 9.985 13.912 1.00 0.00 O ATOM 745 CB MET A 50 19.771 6.800 13.611 1.00 0.00 C ATOM 746 CG MET A 50 20.573 5.715 12.878 1.00 0.00 C ATOM 747 SD MET A 50 22.092 6.218 11.980 1.00 0.00 S ATOM 748 CE MET A 50 22.992 4.661 11.871 1.00 0.00 C ATOM 0 H MET A 50 21.726 7.191 15.275 1.00 0.00 H new ATOM 0 HA MET A 50 20.733 8.467 12.786 1.00 0.00 H new ATOM 0 HB2 MET A 50 19.467 6.423 14.588 1.00 0.00 H new ATOM 0 HB3 MET A 50 18.859 7.010 13.053 1.00 0.00 H new ATOM 0 HG2 MET A 50 20.854 4.957 13.609 1.00 0.00 H new ATOM 0 HG3 MET A 50 19.906 5.235 12.162 1.00 0.00 H new ATOM 0 HE1 MET A 50 24.063 4.855 11.934 1.00 0.00 H new ATOM 0 HE2 MET A 50 22.692 4.009 12.691 1.00 0.00 H new ATOM 0 HE3 MET A 50 22.767 4.176 10.921 1.00 0.00 H new ATOM 758 N GLU A 51 20.041 9.348 15.829 1.00 0.00 N ATOM 759 CA GLU A 51 19.577 10.465 16.625 1.00 0.00 C ATOM 760 C GLU A 51 20.230 11.768 16.151 1.00 0.00 C ATOM 761 O GLU A 51 19.583 12.817 16.175 1.00 0.00 O ATOM 762 CB GLU A 51 19.857 10.150 18.107 1.00 0.00 C ATOM 763 CG GLU A 51 19.237 11.188 19.046 1.00 0.00 C ATOM 764 CD GLU A 51 19.455 10.804 20.519 1.00 0.00 C ATOM 765 OE1 GLU A 51 20.546 11.091 21.071 1.00 0.00 O ATOM 766 OE2 GLU A 51 18.533 10.225 21.145 1.00 0.00 O ATOM 0 H GLU A 51 20.579 8.670 16.369 1.00 0.00 H new ATOM 0 HA GLU A 51 18.503 10.610 16.506 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.462 9.163 18.348 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.934 10.111 18.271 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.678 12.166 18.853 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.169 11.274 18.844 1.00 0.00 H new ATOM 773 N GLU A 52 21.454 11.697 15.610 1.00 0.00 N ATOM 774 CA GLU A 52 22.108 12.825 14.949 1.00 0.00 C ATOM 775 C GLU A 52 21.273 13.376 13.775 1.00 0.00 C ATOM 776 O GLU A 52 21.437 14.542 13.404 1.00 0.00 O ATOM 777 CB GLU A 52 23.497 12.449 14.402 1.00 0.00 C ATOM 778 CG GLU A 52 24.586 12.094 15.426 1.00 0.00 C ATOM 779 CD GLU A 52 25.990 12.308 14.847 1.00 0.00 C ATOM 780 OE1 GLU A 52 26.222 11.968 13.661 1.00 0.00 O ATOM 781 OE2 GLU A 52 26.877 12.801 15.582 1.00 0.00 O ATOM 0 H GLU A 52 22.019 10.848 15.621 1.00 0.00 H new ATOM 0 HA GLU A 52 22.208 13.589 15.720 1.00 0.00 H new ATOM 0 HB2 GLU A 52 23.376 11.599 13.730 1.00 0.00 H new ATOM 0 HB3 GLU A 52 23.859 13.282 13.800 1.00 0.00 H new ATOM 0 HG2 GLU A 52 24.462 12.707 16.319 1.00 0.00 H new ATOM 0 HG3 GLU A 52 24.473 11.055 15.734 1.00 0.00 H new ATOM 788 N VAL A 53 20.375 12.569 13.199 1.00 0.00 N ATOM 789 CA VAL A 53 19.568 12.892 12.030 1.00 0.00 C ATOM 790 C VAL A 53 18.060 12.729 12.327 1.00 0.00 C ATOM 791 O VAL A 53 17.234 12.808 11.414 1.00 0.00 O ATOM 792 CB VAL A 53 20.077 12.081 10.814 1.00 0.00 C ATOM 793 CG1 VAL A 53 21.456 12.577 10.349 1.00 0.00 C ATOM 794 CG2 VAL A 53 20.187 10.565 11.032 1.00 0.00 C ATOM 0 H VAL A 53 20.187 11.632 13.556 1.00 0.00 H new ATOM 0 HA VAL A 53 19.683 13.945 11.772 1.00 0.00 H new ATOM 0 HB VAL A 53 19.307 12.250 10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 53 21.785 11.987 9.494 1.00 0.00 H new ATOM 0 HG12 VAL A 53 21.387 13.626 10.061 1.00 0.00 H new ATOM 0 HG13 VAL A 53 22.174 12.470 11.162 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.552 10.092 10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.881 10.364 11.848 1.00 0.00 H new ATOM 0 HG23 VAL A 53 19.206 10.161 11.282 1.00 0.00 H new ATOM 804 N GLY A 54 17.683 12.566 13.603 1.00 0.00 N ATOM 805 CA GLY A 54 16.295 12.498 14.040 1.00 0.00 C ATOM 806 C GLY A 54 15.579 11.228 13.566 1.00 0.00 C ATOM 807 O GLY A 54 14.417 11.304 13.161 1.00 0.00 O ATOM 0 H GLY A 54 18.351 12.477 14.368 1.00 0.00 H new ATOM 0 HA2 GLY A 54 16.260 12.543 15.128 1.00 0.00 H new ATOM 0 HA3 GLY A 54 15.759 13.371 13.667 1.00 0.00 H new ATOM 811 N ILE A 55 16.254 10.073 13.609 1.00 0.00 N ATOM 812 CA ILE A 55 15.722 8.765 13.239 1.00 0.00 C ATOM 813 C ILE A 55 15.922 7.824 14.433 1.00 0.00 C ATOM 814 O ILE A 55 16.836 8.013 15.240 1.00 0.00 O ATOM 815 CB ILE A 55 16.327 8.255 11.910 1.00 0.00 C ATOM 816 CG1 ILE A 55 16.019 9.304 10.822 1.00 0.00 C ATOM 817 CG2 ILE A 55 15.766 6.860 11.531 1.00 0.00 C ATOM 818 CD1 ILE A 55 16.417 8.839 9.436 1.00 0.00 C ATOM 0 H ILE A 55 17.226 10.027 13.916 1.00 0.00 H new ATOM 0 HA ILE A 55 14.654 8.822 13.030 1.00 0.00 H new ATOM 0 HB ILE A 55 17.405 8.130 12.012 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.953 9.531 10.833 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.545 10.230 11.056 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.212 6.531 10.592 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.007 6.145 12.317 1.00 0.00 H new ATOM 0 HG23 ILE A 55 14.684 6.922 11.417 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.178 9.615 8.709 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.488 8.638 9.413 1.00 0.00 H new ATOM 0 HD13 ILE A 55 15.872 7.929 9.187 1.00 0.00 H new ATOM 830 N ASP A 56 15.082 6.794 14.531 1.00 0.00 N ATOM 831 CA ASP A 56 15.087 5.806 15.611 1.00 0.00 C ATOM 832 C ASP A 56 15.261 4.415 15.011 1.00 0.00 C ATOM 833 O ASP A 56 14.492 4.017 14.137 1.00 0.00 O ATOM 834 CB ASP A 56 13.773 5.874 16.405 1.00 0.00 C ATOM 835 CG ASP A 56 13.595 4.635 17.299 1.00 0.00 C ATOM 836 OD1 ASP A 56 14.567 4.248 17.989 1.00 0.00 O ATOM 837 OD2 ASP A 56 12.497 4.031 17.299 1.00 0.00 O ATOM 0 H ASP A 56 14.355 6.618 13.838 1.00 0.00 H new ATOM 0 HA ASP A 56 15.911 6.020 16.292 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.764 6.773 17.021 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.932 5.951 15.715 1.00 0.00 H new ATOM 842 N ILE A 57 16.260 3.676 15.502 1.00 0.00 N ATOM 843 CA ILE A 57 16.477 2.257 15.217 1.00 0.00 C ATOM 844 C ILE A 57 16.670 1.450 16.514 1.00 0.00 C ATOM 845 O ILE A 57 17.105 0.307 16.476 1.00 0.00 O ATOM 846 CB ILE A 57 17.558 2.076 14.118 1.00 0.00 C ATOM 847 CG1 ILE A 57 18.923 2.722 14.435 1.00 0.00 C ATOM 848 CG2 ILE A 57 17.045 2.606 12.761 1.00 0.00 C ATOM 849 CD1 ILE A 57 19.969 2.419 13.359 1.00 0.00 C ATOM 0 H ILE A 57 16.964 4.064 16.130 1.00 0.00 H new ATOM 0 HA ILE A 57 15.580 1.819 14.779 1.00 0.00 H new ATOM 0 HB ILE A 57 17.734 1.001 14.075 1.00 0.00 H new ATOM 0 HG12 ILE A 57 18.800 3.801 14.526 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.280 2.359 15.399 1.00 0.00 H new ATOM 0 HG21 ILE A 57 17.816 2.471 12.003 1.00 0.00 H new ATOM 0 HG22 ILE A 57 16.150 2.056 12.470 1.00 0.00 H new ATOM 0 HG23 ILE A 57 16.806 3.666 12.851 1.00 0.00 H new ATOM 0 HD11 ILE A 57 20.913 2.894 13.625 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.113 1.341 13.285 1.00 0.00 H new ATOM 0 HD13 ILE A 57 19.626 2.806 12.399 1.00 0.00 H new ATOM 861 N SER A 58 16.297 2.012 17.665 1.00 0.00 N ATOM 862 CA SER A 58 16.208 1.337 18.952 1.00 0.00 C ATOM 863 C SER A 58 14.931 0.492 19.078 1.00 0.00 C ATOM 864 O SER A 58 14.917 -0.483 19.833 1.00 0.00 O ATOM 865 CB SER A 58 16.287 2.358 20.100 1.00 0.00 C ATOM 866 OG SER A 58 16.418 3.716 19.695 1.00 0.00 O ATOM 0 H SER A 58 16.037 2.997 17.723 1.00 0.00 H new ATOM 0 HA SER A 58 17.056 0.656 19.018 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.390 2.263 20.712 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.135 2.102 20.735 1.00 0.00 H new ATOM 0 HG SER A 58 15.587 4.012 19.268 1.00 0.00 H new ATOM 872 N GLY A 59 13.873 0.832 18.332 1.00 0.00 N ATOM 873 CA GLY A 59 12.645 0.037 18.289 1.00 0.00 C ATOM 874 C GLY A 59 12.812 -1.253 17.476 1.00 0.00 C ATOM 875 O GLY A 59 11.951 -2.132 17.529 1.00 0.00 O ATOM 0 H GLY A 59 13.846 1.665 17.743 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.342 -0.214 19.306 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.843 0.635 17.856 1.00 0.00 H new ATOM 879 N GLN A 60 13.904 -1.366 16.708 1.00 0.00 N ATOM 880 CA GLN A 60 14.250 -2.541 15.934 1.00 0.00 C ATOM 881 C GLN A 60 14.734 -3.664 16.851 1.00 0.00 C ATOM 882 O GLN A 60 15.186 -3.413 17.971 1.00 0.00 O ATOM 883 CB GLN A 60 15.375 -2.192 14.954 1.00 0.00 C ATOM 884 CG GLN A 60 14.942 -1.171 13.908 1.00 0.00 C ATOM 885 CD GLN A 60 15.998 -1.011 12.818 1.00 0.00 C ATOM 886 OE1 GLN A 60 17.182 -1.233 13.038 1.00 0.00 O ATOM 887 NE2 GLN A 60 15.602 -0.666 11.609 1.00 0.00 N ATOM 0 H GLN A 60 14.585 -0.613 16.613 1.00 0.00 H new ATOM 0 HA GLN A 60 13.363 -2.873 15.394 1.00 0.00 H new ATOM 0 HB2 GLN A 60 16.227 -1.800 15.509 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.711 -3.100 14.453 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.999 -1.484 13.460 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.763 -0.209 14.388 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.615 -0.482 11.429 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.282 -0.583 10.854 1.00 0.00 H new ATOM 896 N THR A 61 14.742 -4.879 16.305 1.00 0.00 N ATOM 897 CA THR A 61 15.342 -6.060 16.915 1.00 0.00 C ATOM 898 C THR A 61 15.882 -7.015 15.839 1.00 0.00 C ATOM 899 O THR A 61 15.635 -6.821 14.642 1.00 0.00 O ATOM 900 CB THR A 61 14.339 -6.779 17.844 1.00 0.00 C ATOM 901 OG1 THR A 61 13.025 -6.785 17.296 1.00 0.00 O ATOM 902 CG2 THR A 61 14.306 -6.115 19.220 1.00 0.00 C ATOM 0 H THR A 61 14.317 -5.072 15.398 1.00 0.00 H new ATOM 0 HA THR A 61 16.182 -5.732 17.527 1.00 0.00 H new ATOM 0 HB THR A 61 14.679 -7.810 17.943 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.417 -7.249 17.909 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.593 -6.637 19.859 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.298 -6.161 19.670 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.003 -5.073 19.114 1.00 0.00 H new ATOM 910 N SER A 62 16.669 -8.008 16.261 1.00 0.00 N ATOM 911 CA SER A 62 17.187 -9.070 15.415 1.00 0.00 C ATOM 912 C SER A 62 16.049 -10.008 15.005 1.00 0.00 C ATOM 913 O SER A 62 15.147 -10.285 15.805 1.00 0.00 O ATOM 914 CB SER A 62 18.298 -9.831 16.169 1.00 0.00 C ATOM 915 OG SER A 62 18.183 -9.703 17.588 1.00 0.00 O ATOM 0 H SER A 62 16.969 -8.092 17.232 1.00 0.00 H new ATOM 0 HA SER A 62 17.617 -8.646 14.507 1.00 0.00 H new ATOM 0 HB2 SER A 62 18.259 -10.886 15.898 1.00 0.00 H new ATOM 0 HB3 SER A 62 19.271 -9.456 15.851 1.00 0.00 H new ATOM 0 HG SER A 62 18.906 -10.203 18.021 1.00 0.00 H new ATOM 921 N ASP A 63 16.104 -10.518 13.771 1.00 0.00 N ATOM 922 CA ASP A 63 15.178 -11.535 13.267 1.00 0.00 C ATOM 923 C ASP A 63 15.830 -12.196 12.038 1.00 0.00 C ATOM 924 O ASP A 63 16.327 -11.446 11.189 1.00 0.00 O ATOM 925 CB ASP A 63 13.829 -10.882 12.910 1.00 0.00 C ATOM 926 CG ASP A 63 12.663 -11.887 12.857 1.00 0.00 C ATOM 927 OD1 ASP A 63 12.681 -12.904 13.591 1.00 0.00 O ATOM 928 OD2 ASP A 63 11.678 -11.615 12.131 1.00 0.00 O ATOM 0 H ASP A 63 16.803 -10.232 13.085 1.00 0.00 H new ATOM 0 HA ASP A 63 14.980 -12.295 14.023 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.601 -10.110 13.644 1.00 0.00 H new ATOM 0 HB3 ASP A 63 13.917 -10.387 11.943 1.00 0.00 H new ATOM 933 N PRO A 64 15.951 -13.537 11.938 1.00 0.00 N ATOM 934 CA PRO A 64 16.704 -14.198 10.862 1.00 0.00 C ATOM 935 C PRO A 64 16.108 -14.009 9.460 1.00 0.00 C ATOM 936 O PRO A 64 14.886 -13.932 9.305 1.00 0.00 O ATOM 937 CB PRO A 64 16.733 -15.692 11.218 1.00 0.00 C ATOM 938 CG PRO A 64 16.474 -15.722 12.721 1.00 0.00 C ATOM 939 CD PRO A 64 15.566 -14.518 12.946 1.00 0.00 C ATOM 0 HA PRO A 64 17.695 -13.748 10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 64 15.971 -16.247 10.671 1.00 0.00 H new ATOM 0 HB3 PRO A 64 17.694 -16.142 10.970 1.00 0.00 H new ATOM 0 HG2 PRO A 64 15.993 -16.651 13.028 1.00 0.00 H new ATOM 0 HG3 PRO A 64 17.400 -15.639 13.290 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.517 -14.795 12.842 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.692 -14.116 13.951 1.00 0.00 H new ATOM 947 N ILE A 65 16.960 -14.058 8.427 1.00 0.00 N ATOM 948 CA ILE A 65 16.558 -14.009 7.017 1.00 0.00 C ATOM 949 C ILE A 65 15.674 -15.201 6.656 1.00 0.00 C ATOM 950 O ILE A 65 14.672 -15.047 5.964 1.00 0.00 O ATOM 951 CB ILE A 65 17.808 -13.898 6.098 1.00 0.00 C ATOM 952 CG1 ILE A 65 17.400 -13.769 4.608 1.00 0.00 C ATOM 953 CG2 ILE A 65 18.823 -15.048 6.293 1.00 0.00 C ATOM 954 CD1 ILE A 65 18.577 -13.630 3.631 1.00 0.00 C ATOM 0 H ILE A 65 17.969 -14.134 8.552 1.00 0.00 H new ATOM 0 HA ILE A 65 15.957 -13.114 6.856 1.00 0.00 H new ATOM 0 HB ILE A 65 18.320 -12.985 6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 65 16.815 -14.645 4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 65 16.749 -12.902 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 65 19.668 -14.905 5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 65 19.176 -15.050 7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 65 18.341 -16.000 6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 65 18.197 -13.546 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 65 19.152 -12.738 3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 65 19.219 -14.508 3.707 1.00 0.00 H new ATOM 966 N GLU A 66 16.022 -16.386 7.158 1.00 0.00 N ATOM 967 CA GLU A 66 15.336 -17.627 6.818 1.00 0.00 C ATOM 968 C GLU A 66 13.929 -17.686 7.422 1.00 0.00 C ATOM 969 O GLU A 66 13.075 -18.434 6.939 1.00 0.00 O ATOM 970 CB GLU A 66 16.185 -18.819 7.289 1.00 0.00 C ATOM 971 CG GLU A 66 17.380 -19.084 6.365 1.00 0.00 C ATOM 972 CD GLU A 66 18.150 -20.348 6.783 1.00 0.00 C ATOM 973 OE1 GLU A 66 19.069 -20.250 7.632 1.00 0.00 O ATOM 974 OE2 GLU A 66 17.850 -21.453 6.262 1.00 0.00 O ATOM 0 H GLU A 66 16.792 -16.510 7.815 1.00 0.00 H new ATOM 0 HA GLU A 66 15.215 -17.670 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.546 -18.628 8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.560 -19.711 7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 66 17.030 -19.194 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 66 18.052 -18.226 6.383 1.00 0.00 H new ATOM 981 N ASN A 67 13.679 -16.888 8.467 1.00 0.00 N ATOM 982 CA ASN A 67 12.358 -16.706 9.039 1.00 0.00 C ATOM 983 C ASN A 67 11.464 -15.832 8.138 1.00 0.00 C ATOM 984 O ASN A 67 10.236 -15.898 8.272 1.00 0.00 O ATOM 985 CB ASN A 67 12.471 -16.172 10.480 1.00 0.00 C ATOM 986 CG ASN A 67 11.671 -14.897 10.739 1.00 0.00 C ATOM 987 OD1 ASN A 67 10.563 -14.941 11.270 1.00 0.00 O ATOM 988 ND2 ASN A 67 12.228 -13.752 10.399 1.00 0.00 N ATOM 0 H ASN A 67 14.404 -16.348 8.939 1.00 0.00 H new ATOM 0 HA ASN A 67 11.862 -17.675 9.093 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.134 -16.946 11.170 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.521 -15.981 10.704 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.739 -12.875 10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.149 -13.743 9.960 1.00 0.00 H new ATOM 995 N PHE A 68 12.041 -15.051 7.214 1.00 0.00 N ATOM 996 CA PHE A 68 11.290 -14.245 6.264 1.00 0.00 C ATOM 997 C PHE A 68 11.059 -15.011 4.958 1.00 0.00 C ATOM 998 O PHE A 68 11.621 -16.083 4.723 1.00 0.00 O ATOM 999 CB PHE A 68 11.977 -12.889 6.040 1.00 0.00 C ATOM 1000 CG PHE A 68 11.708 -11.906 7.161 1.00 0.00 C ATOM 1001 CD1 PHE A 68 10.431 -11.327 7.294 1.00 0.00 C ATOM 1002 CD2 PHE A 68 12.716 -11.584 8.086 1.00 0.00 C ATOM 1003 CE1 PHE A 68 10.168 -10.420 8.335 1.00 0.00 C ATOM 1004 CE2 PHE A 68 12.455 -10.667 9.119 1.00 0.00 C ATOM 1005 CZ PHE A 68 11.185 -10.083 9.244 1.00 0.00 C ATOM 0 H PHE A 68 13.052 -14.966 7.111 1.00 0.00 H new ATOM 0 HA PHE A 68 10.305 -14.037 6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.052 -13.042 5.946 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.632 -12.463 5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.650 -11.581 6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 68 13.691 -12.041 8.003 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.186 -9.983 8.436 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.236 -10.411 9.820 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.990 -9.376 10.037 1.00 0.00 H new ATOM 1015 N ASN A 69 10.202 -14.444 4.105 1.00 0.00 N ATOM 1016 CA ASN A 69 9.713 -15.024 2.877 1.00 0.00 C ATOM 1017 C ASN A 69 9.679 -13.843 1.920 1.00 0.00 C ATOM 1018 O ASN A 69 8.702 -13.093 1.922 1.00 0.00 O ATOM 1019 CB ASN A 69 8.326 -15.619 3.162 1.00 0.00 C ATOM 1020 CG ASN A 69 7.581 -16.065 1.915 1.00 0.00 C ATOM 1021 OD1 ASN A 69 7.471 -17.244 1.587 1.00 0.00 O ATOM 1022 ND2 ASN A 69 6.968 -15.093 1.284 1.00 0.00 N ATOM 0 H ASN A 69 9.816 -13.515 4.274 1.00 0.00 H new ATOM 0 HA ASN A 69 10.313 -15.833 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.438 -16.472 3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.724 -14.878 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 69 6.370 -15.301 0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.089 -14.128 1.593 1.00 0.00 H new ATOM 1029 N ALA A 70 10.783 -13.571 1.214 1.00 0.00 N ATOM 1030 CA ALA A 70 10.852 -12.453 0.290 1.00 0.00 C ATOM 1031 C ALA A 70 9.734 -12.457 -0.744 1.00 0.00 C ATOM 1032 O ALA A 70 9.413 -11.401 -1.279 1.00 0.00 O ATOM 1033 CB ALA A 70 12.156 -12.477 -0.472 1.00 0.00 C ATOM 0 H ALA A 70 11.641 -14.119 1.272 1.00 0.00 H new ATOM 0 HA ALA A 70 10.760 -11.561 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.191 -11.632 -1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 70 12.988 -12.409 0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 70 12.231 -13.407 -1.035 1.00 0.00 H new ATOM 1039 N ASP A 71 9.155 -13.620 -1.035 1.00 0.00 N ATOM 1040 CA ASP A 71 7.983 -13.739 -1.892 1.00 0.00 C ATOM 1041 C ASP A 71 6.854 -12.797 -1.433 1.00 0.00 C ATOM 1042 O ASP A 71 6.080 -12.311 -2.263 1.00 0.00 O ATOM 1043 CB ASP A 71 7.522 -15.204 -1.987 1.00 0.00 C ATOM 1044 CG ASP A 71 5.996 -15.339 -2.095 1.00 0.00 C ATOM 1045 OD1 ASP A 71 5.340 -15.422 -1.030 1.00 0.00 O ATOM 1046 OD2 ASP A 71 5.469 -15.401 -3.231 1.00 0.00 O ATOM 0 H ASP A 71 9.492 -14.514 -0.678 1.00 0.00 H new ATOM 0 HA ASP A 71 8.261 -13.423 -2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.986 -15.671 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.870 -15.748 -1.109 1.00 0.00 H new ATOM 1051 N ASP A 72 6.794 -12.485 -0.136 1.00 0.00 N ATOM 1052 CA ASP A 72 5.806 -11.587 0.448 1.00 0.00 C ATOM 1053 C ASP A 72 6.173 -10.096 0.299 1.00 0.00 C ATOM 1054 O ASP A 72 5.298 -9.249 0.481 1.00 0.00 O ATOM 1055 CB ASP A 72 5.598 -11.939 1.927 1.00 0.00 C ATOM 1056 CG ASP A 72 4.419 -11.162 2.543 1.00 0.00 C ATOM 1057 OD1 ASP A 72 3.259 -11.387 2.120 1.00 0.00 O ATOM 1058 OD2 ASP A 72 4.637 -10.378 3.497 1.00 0.00 O ATOM 0 H ASP A 72 7.449 -12.861 0.550 1.00 0.00 H new ATOM 0 HA ASP A 72 4.879 -11.731 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.417 -13.010 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.509 -11.718 2.484 1.00 0.00 H new ATOM 1063 N TYR A 73 7.416 -9.742 -0.065 1.00 0.00 N ATOM 1064 CA TYR A 73 7.928 -8.379 -0.031 1.00 0.00 C ATOM 1065 C TYR A 73 8.383 -7.977 -1.422 1.00 0.00 C ATOM 1066 O TYR A 73 9.361 -8.511 -1.935 1.00 0.00 O ATOM 1067 CB TYR A 73 9.072 -8.190 0.976 1.00 0.00 C ATOM 1068 CG TYR A 73 8.767 -8.636 2.386 1.00 0.00 C ATOM 1069 CD1 TYR A 73 8.772 -10.005 2.685 1.00 0.00 C ATOM 1070 CD2 TYR A 73 8.453 -7.706 3.388 1.00 0.00 C ATOM 1071 CE1 TYR A 73 8.393 -10.466 3.953 1.00 0.00 C ATOM 1072 CE2 TYR A 73 8.067 -8.152 4.667 1.00 0.00 C ATOM 1073 CZ TYR A 73 8.009 -9.538 4.947 1.00 0.00 C ATOM 1074 OH TYR A 73 7.572 -9.988 6.159 1.00 0.00 O ATOM 0 H TYR A 73 8.103 -10.419 -0.398 1.00 0.00 H new ATOM 0 HA TYR A 73 7.114 -7.735 0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.943 -8.739 0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.346 -7.135 0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.072 -10.714 1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.507 -6.648 3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.394 -11.524 4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.815 -7.436 5.435 1.00 0.00 H new ATOM 0 HH TYR A 73 8.342 -10.194 6.729 1.00 0.00 H new ATOM 1084 N ASP A 74 7.685 -7.009 -2.012 1.00 0.00 N ATOM 1085 CA ASP A 74 7.812 -6.640 -3.418 1.00 0.00 C ATOM 1086 C ASP A 74 9.196 -6.126 -3.803 1.00 0.00 C ATOM 1087 O ASP A 74 9.493 -6.023 -4.990 1.00 0.00 O ATOM 1088 CB ASP A 74 6.787 -5.546 -3.773 1.00 0.00 C ATOM 1089 CG ASP A 74 5.372 -5.842 -3.265 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.122 -5.577 -2.064 1.00 0.00 O ATOM 1091 OD2 ASP A 74 4.521 -6.316 -4.057 1.00 0.00 O ATOM 0 H ASP A 74 6.998 -6.446 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 74 7.633 -7.560 -3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 74 7.122 -4.597 -3.356 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.757 -5.425 -4.856 1.00 0.00 H new ATOM 1096 N VAL A 75 10.040 -5.749 -2.846 1.00 0.00 N ATOM 1097 CA VAL A 75 11.295 -5.054 -3.102 1.00 0.00 C ATOM 1098 C VAL A 75 12.301 -5.560 -2.061 1.00 0.00 C ATOM 1099 O VAL A 75 12.041 -5.530 -0.856 1.00 0.00 O ATOM 1100 CB VAL A 75 10.984 -3.550 -3.053 1.00 0.00 C ATOM 1101 CG1 VAL A 75 12.145 -2.568 -2.857 1.00 0.00 C ATOM 1102 CG2 VAL A 75 10.118 -3.034 -4.212 1.00 0.00 C ATOM 0 H VAL A 75 9.867 -5.921 -1.856 1.00 0.00 H new ATOM 0 HA VAL A 75 11.743 -5.243 -4.077 1.00 0.00 H new ATOM 0 HB VAL A 75 10.422 -3.547 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.761 -1.548 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.644 -2.779 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.856 -2.678 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.951 -1.963 -4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.628 -3.219 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.160 -3.553 -4.209 1.00 0.00 H new ATOM 1112 N VAL A 76 13.465 -6.025 -2.504 1.00 0.00 N ATOM 1113 CA VAL A 76 14.496 -6.576 -1.651 1.00 0.00 C ATOM 1114 C VAL A 76 15.724 -5.735 -1.879 1.00 0.00 C ATOM 1115 O VAL A 76 16.189 -5.609 -3.013 1.00 0.00 O ATOM 1116 CB VAL A 76 14.748 -8.046 -2.050 1.00 0.00 C ATOM 1117 CG1 VAL A 76 16.121 -8.566 -1.587 1.00 0.00 C ATOM 1118 CG2 VAL A 76 13.637 -8.946 -1.486 1.00 0.00 C ATOM 0 H VAL A 76 13.717 -6.026 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 76 14.215 -6.562 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 76 14.741 -8.080 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 76 16.240 -9.604 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.909 -7.961 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 76 16.187 -8.501 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.825 -9.980 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.623 -8.869 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.674 -8.628 -1.885 1.00 0.00 H new ATOM 1128 N ILE A 77 16.282 -5.243 -0.782 1.00 0.00 N ATOM 1129 CA ILE A 77 17.563 -4.597 -0.755 1.00 0.00 C ATOM 1130 C ILE A 77 18.395 -5.442 0.185 1.00 0.00 C ATOM 1131 O ILE A 77 18.304 -5.328 1.406 1.00 0.00 O ATOM 1132 CB ILE A 77 17.428 -3.148 -0.283 1.00 0.00 C ATOM 1133 CG1 ILE A 77 16.570 -2.273 -1.216 1.00 0.00 C ATOM 1134 CG2 ILE A 77 18.820 -2.520 -0.122 1.00 0.00 C ATOM 1135 CD1 ILE A 77 16.913 -2.308 -2.715 1.00 0.00 C ATOM 0 H ILE A 77 15.834 -5.289 0.133 1.00 0.00 H new ATOM 0 HA ILE A 77 18.028 -4.531 -1.738 1.00 0.00 H new ATOM 0 HB ILE A 77 16.910 -3.183 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 77 15.529 -2.573 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 77 16.644 -1.240 -0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.717 -1.488 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 77 19.392 -3.086 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.341 -2.539 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 77 16.236 -1.650 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.940 -1.973 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.807 -3.326 -3.089 1.00 0.00 H new ATOM 1147 N SER A 78 19.149 -6.366 -0.382 1.00 0.00 N ATOM 1148 CA SER A 78 20.150 -7.039 0.403 1.00 0.00 C ATOM 1149 C SER A 78 21.303 -6.032 0.600 1.00 0.00 C ATOM 1150 O SER A 78 21.345 -4.988 -0.057 1.00 0.00 O ATOM 1151 CB SER A 78 20.457 -8.375 -0.276 1.00 0.00 C ATOM 1152 OG SER A 78 21.534 -9.043 0.336 1.00 0.00 O ATOM 0 H SER A 78 19.086 -6.657 -1.357 1.00 0.00 H new ATOM 0 HA SER A 78 19.855 -7.328 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.571 -9.010 -0.244 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.688 -8.203 -1.327 1.00 0.00 H new ATOM 0 HG SER A 78 22.353 -8.881 -0.177 1.00 0.00 H new ATOM 1158 N LEU A 79 22.231 -6.292 1.522 1.00 0.00 N ATOM 1159 CA LEU A 79 23.465 -5.503 1.678 1.00 0.00 C ATOM 1160 C LEU A 79 24.630 -6.448 1.971 1.00 0.00 C ATOM 1161 O LEU A 79 25.584 -6.081 2.658 1.00 0.00 O ATOM 1162 CB LEU A 79 23.352 -4.400 2.762 1.00 0.00 C ATOM 1163 CG LEU A 79 22.343 -3.268 2.466 1.00 0.00 C ATOM 1164 CD1 LEU A 79 20.928 -3.529 3.002 1.00 0.00 C ATOM 1165 CD2 LEU A 79 22.841 -1.938 3.048 1.00 0.00 C ATOM 0 H LEU A 79 22.152 -7.060 2.189 1.00 0.00 H new ATOM 0 HA LEU A 79 23.642 -4.975 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.075 -4.871 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 79 24.337 -3.955 2.905 1.00 0.00 H new ATOM 0 HG LEU A 79 22.277 -3.225 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.283 -2.687 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 79 20.530 -4.438 2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 79 20.965 -3.648 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 79 22.118 -1.152 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 79 22.958 -2.034 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 79 23.801 -1.682 2.600 1.00 0.00 H new ATOM 1177 N CYS A 80 24.538 -7.703 1.533 1.00 0.00 N ATOM 1178 CA CYS A 80 25.466 -8.756 1.915 1.00 0.00 C ATOM 1179 C CYS A 80 26.743 -8.753 1.059 1.00 0.00 C ATOM 1180 O CYS A 80 27.620 -9.585 1.286 1.00 0.00 O ATOM 1181 CB CYS A 80 24.747 -10.115 1.867 1.00 0.00 C ATOM 1182 SG CYS A 80 23.227 -10.111 2.871 1.00 0.00 S ATOM 0 H CYS A 80 23.806 -8.017 0.895 1.00 0.00 H new ATOM 0 HA CYS A 80 25.796 -8.567 2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 80 24.500 -10.359 0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 80 25.418 -10.895 2.227 1.00 0.00 H new ATOM 0 HG CYS A 80 22.225 -9.723 2.140 1.00 0.00 H new ATOM 1188 N GLY A 81 26.856 -7.847 0.080 1.00 0.00 N ATOM 1189 CA GLY A 81 28.052 -7.686 -0.744 1.00 0.00 C ATOM 1190 C GLY A 81 27.839 -8.216 -2.158 1.00 0.00 C ATOM 1191 O GLY A 81 28.806 -8.589 -2.822 1.00 0.00 O ATOM 0 H GLY A 81 26.107 -7.198 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 81 28.324 -6.631 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 81 28.887 -8.212 -0.280 1.00 0.00 H new ATOM 1195 N CYS A 82 26.576 -8.271 -2.600 1.00 0.00 N ATOM 1196 CA CYS A 82 26.130 -8.841 -3.875 1.00 0.00 C ATOM 1197 C CYS A 82 26.803 -10.196 -4.179 1.00 0.00 C ATOM 1198 O CYS A 82 27.297 -10.430 -5.285 1.00 0.00 O ATOM 1199 CB CYS A 82 26.294 -7.784 -4.979 1.00 0.00 C ATOM 1200 SG CYS A 82 25.111 -8.088 -6.326 1.00 0.00 S ATOM 0 H CYS A 82 25.801 -7.901 -2.050 1.00 0.00 H new ATOM 0 HA CYS A 82 25.070 -9.089 -3.818 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.136 -6.788 -4.565 1.00 0.00 H new ATOM 0 HB3 CYS A 82 27.312 -7.809 -5.368 1.00 0.00 H new ATOM 0 HG CYS A 82 25.262 -7.185 -7.249 1.00 0.00 H new ATOM 1206 N GLY A 83 26.864 -11.077 -3.172 1.00 0.00 N ATOM 1207 CA GLY A 83 27.616 -12.328 -3.249 1.00 0.00 C ATOM 1208 C GLY A 83 27.080 -13.386 -2.290 1.00 0.00 C ATOM 1209 O GLY A 83 27.864 -14.138 -1.710 1.00 0.00 O ATOM 0 H GLY A 83 26.390 -10.938 -2.280 1.00 0.00 H new ATOM 0 HA2 GLY A 83 27.576 -12.711 -4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 83 28.664 -12.134 -3.023 1.00 0.00 H new ATOM 1213 N VAL A 84 25.757 -13.426 -2.093 1.00 0.00 N ATOM 1214 CA VAL A 84 25.068 -14.379 -1.236 1.00 0.00 C ATOM 1215 C VAL A 84 24.034 -15.126 -2.072 1.00 0.00 C ATOM 1216 O VAL A 84 23.382 -14.546 -2.946 1.00 0.00 O ATOM 1217 CB VAL A 84 24.488 -13.659 -0.003 1.00 0.00 C ATOM 1218 CG1 VAL A 84 23.682 -14.569 0.937 1.00 0.00 C ATOM 1219 CG2 VAL A 84 25.665 -13.059 0.774 1.00 0.00 C ATOM 0 H VAL A 84 25.120 -12.770 -2.545 1.00 0.00 H new ATOM 0 HA VAL A 84 25.754 -15.126 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 84 23.788 -12.905 -0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 84 23.310 -13.985 1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.841 -15.000 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 84 24.323 -15.369 1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 84 25.291 -12.540 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 84 26.342 -13.856 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.200 -12.354 0.137 1.00 0.00 H new ATOM 1229 N ASN A 85 23.888 -16.424 -1.796 1.00 0.00 N ATOM 1230 CA ASN A 85 22.987 -17.322 -2.511 1.00 0.00 C ATOM 1231 C ASN A 85 21.561 -17.178 -1.964 1.00 0.00 C ATOM 1232 O ASN A 85 21.002 -18.110 -1.383 1.00 0.00 O ATOM 1233 CB ASN A 85 23.528 -18.760 -2.439 1.00 0.00 C ATOM 1234 CG ASN A 85 22.880 -19.620 -3.519 1.00 0.00 C ATOM 1235 OD1 ASN A 85 22.025 -20.464 -3.260 1.00 0.00 O ATOM 1236 ND2 ASN A 85 23.283 -19.411 -4.765 1.00 0.00 N ATOM 0 H ASN A 85 24.407 -16.888 -1.051 1.00 0.00 H new ATOM 0 HA ASN A 85 22.940 -17.055 -3.567 1.00 0.00 H new ATOM 0 HB2 ASN A 85 24.610 -18.756 -2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 85 23.325 -19.184 -1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 85 22.882 -19.955 -5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 85 23.994 -18.706 -4.960 1.00 0.00 H new ATOM 1243 N LEU A 86 21.010 -15.962 -2.061 1.00 0.00 N ATOM 1244 CA LEU A 86 19.651 -15.656 -1.620 1.00 0.00 C ATOM 1245 C LEU A 86 18.684 -16.602 -2.357 1.00 0.00 C ATOM 1246 O LEU A 86 18.850 -16.771 -3.571 1.00 0.00 O ATOM 1247 CB LEU A 86 19.286 -14.188 -1.924 1.00 0.00 C ATOM 1248 CG LEU A 86 20.222 -13.116 -1.327 1.00 0.00 C ATOM 1249 CD1 LEU A 86 19.823 -11.731 -1.847 1.00 0.00 C ATOM 1250 CD2 LEU A 86 20.211 -13.096 0.205 1.00 0.00 C ATOM 0 H LEU A 86 21.502 -15.159 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 86 19.578 -15.797 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.262 -14.058 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.276 -14.003 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 86 21.233 -13.373 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.487 -10.978 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 86 19.903 -11.714 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.795 -11.515 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.889 -12.321 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.201 -12.887 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.535 -14.065 0.584 1.00 0.00 H new ATOM 1262 N PRO A 87 17.705 -17.228 -1.671 1.00 0.00 N ATOM 1263 CA PRO A 87 16.739 -18.113 -2.313 1.00 0.00 C ATOM 1264 C PRO A 87 16.006 -17.437 -3.482 1.00 0.00 C ATOM 1265 O PRO A 87 15.839 -16.217 -3.456 1.00 0.00 O ATOM 1266 CB PRO A 87 15.744 -18.518 -1.228 1.00 0.00 C ATOM 1267 CG PRO A 87 16.506 -18.318 0.085 1.00 0.00 C ATOM 1268 CD PRO A 87 17.536 -17.234 -0.226 1.00 0.00 C ATOM 0 HA PRO A 87 17.253 -18.973 -2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.846 -17.902 -1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.425 -19.553 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.837 -18.010 0.888 1.00 0.00 H new ATOM 0 HG3 PRO A 87 16.988 -19.241 0.408 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.195 -16.261 0.129 1.00 0.00 H new ATOM 0 HD3 PRO A 87 18.482 -17.442 0.274 1.00 0.00 H new ATOM 1276 N PRO A 88 15.482 -18.191 -4.467 1.00 0.00 N ATOM 1277 CA PRO A 88 14.926 -17.619 -5.688 1.00 0.00 C ATOM 1278 C PRO A 88 13.828 -16.564 -5.500 1.00 0.00 C ATOM 1279 O PRO A 88 13.685 -15.661 -6.322 1.00 0.00 O ATOM 1280 CB PRO A 88 14.411 -18.805 -6.509 1.00 0.00 C ATOM 1281 CG PRO A 88 15.301 -19.959 -6.057 1.00 0.00 C ATOM 1282 CD PRO A 88 15.561 -19.644 -4.585 1.00 0.00 C ATOM 0 HA PRO A 88 15.715 -17.056 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 88 13.359 -19.006 -6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 88 14.502 -18.623 -7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 88 14.806 -20.922 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 88 16.228 -20.001 -6.630 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.823 -20.129 -3.946 1.00 0.00 H new ATOM 0 HD3 PRO A 88 16.540 -20.008 -4.275 1.00 0.00 H new ATOM 1290 N GLU A 89 13.057 -16.637 -4.414 1.00 0.00 N ATOM 1291 CA GLU A 89 11.975 -15.703 -4.154 1.00 0.00 C ATOM 1292 C GLU A 89 12.500 -14.291 -3.897 1.00 0.00 C ATOM 1293 O GLU A 89 11.803 -13.304 -4.113 1.00 0.00 O ATOM 1294 CB GLU A 89 11.131 -16.205 -2.981 1.00 0.00 C ATOM 1295 CG GLU A 89 11.910 -16.537 -1.700 1.00 0.00 C ATOM 1296 CD GLU A 89 10.953 -16.999 -0.590 1.00 0.00 C ATOM 1297 OE1 GLU A 89 10.251 -16.134 -0.020 1.00 0.00 O ATOM 1298 OE2 GLU A 89 10.914 -18.219 -0.288 1.00 0.00 O ATOM 0 H GLU A 89 13.170 -17.349 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 89 11.345 -15.648 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.383 -15.448 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.592 -17.098 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.642 -17.318 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.465 -15.660 -1.368 1.00 0.00 H new ATOM 1305 N TRP A 90 13.746 -14.170 -3.454 1.00 0.00 N ATOM 1306 CA TRP A 90 14.366 -12.888 -3.189 1.00 0.00 C ATOM 1307 C TRP A 90 14.679 -12.097 -4.461 1.00 0.00 C ATOM 1308 O TRP A 90 14.921 -10.895 -4.347 1.00 0.00 O ATOM 1309 CB TRP A 90 15.623 -13.087 -2.330 1.00 0.00 C ATOM 1310 CG TRP A 90 15.395 -13.531 -0.903 1.00 0.00 C ATOM 1311 CD1 TRP A 90 15.089 -14.776 -0.477 1.00 0.00 C ATOM 1312 CD2 TRP A 90 15.385 -12.720 0.309 1.00 0.00 C ATOM 1313 NE1 TRP A 90 14.885 -14.777 0.894 1.00 0.00 N ATOM 1314 CE2 TRP A 90 15.002 -13.517 1.422 1.00 0.00 C ATOM 1315 CE3 TRP A 90 15.538 -11.350 0.547 1.00 0.00 C ATOM 1316 CZ2 TRP A 90 14.764 -12.971 2.694 1.00 0.00 C ATOM 1317 CZ3 TRP A 90 15.325 -10.774 1.810 1.00 0.00 C ATOM 1318 CH2 TRP A 90 14.929 -11.587 2.890 1.00 0.00 C ATOM 0 H TRP A 90 14.354 -14.968 -3.269 1.00 0.00 H new ATOM 0 HA TRP A 90 13.645 -12.285 -2.638 1.00 0.00 H new ATOM 0 HB2 TRP A 90 16.259 -13.824 -2.820 1.00 0.00 H new ATOM 0 HB3 TRP A 90 16.177 -12.149 -2.312 1.00 0.00 H new ATOM 0 HD1 TRP A 90 15.014 -15.645 -1.113 1.00 0.00 H new ATOM 0 HE1 TRP A 90 14.674 -15.611 1.442 1.00 0.00 H new ATOM 0 HE3 TRP A 90 15.831 -10.710 -0.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 14.458 -13.606 3.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 15.464 -9.713 1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 90 14.753 -11.151 3.862 1.00 0.00 H new ATOM 1329 N VAL A 91 14.643 -12.703 -5.655 1.00 0.00 N ATOM 1330 CA VAL A 91 15.094 -12.060 -6.885 1.00 0.00 C ATOM 1331 C VAL A 91 13.954 -11.798 -7.884 1.00 0.00 C ATOM 1332 O VAL A 91 14.152 -11.062 -8.851 1.00 0.00 O ATOM 1333 CB VAL A 91 16.297 -12.810 -7.497 1.00 0.00 C ATOM 1334 CG1 VAL A 91 17.478 -12.877 -6.510 1.00 0.00 C ATOM 1335 CG2 VAL A 91 16.005 -14.237 -7.974 1.00 0.00 C ATOM 0 H VAL A 91 14.299 -13.654 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 91 15.451 -11.065 -6.618 1.00 0.00 H new ATOM 0 HB VAL A 91 16.543 -12.217 -8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 91 18.308 -13.411 -6.972 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.795 -11.866 -6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.167 -13.401 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.913 -14.676 -8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.661 -14.839 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.232 -14.213 -8.742 1.00 0.00 H new ATOM 1345 N THR A 92 12.760 -12.355 -7.659 1.00 0.00 N ATOM 1346 CA THR A 92 11.626 -12.246 -8.583 1.00 0.00 C ATOM 1347 C THR A 92 10.823 -10.944 -8.390 1.00 0.00 C ATOM 1348 O THR A 92 10.046 -10.543 -9.260 1.00 0.00 O ATOM 1349 CB THR A 92 10.755 -13.495 -8.383 1.00 0.00 C ATOM 1350 OG1 THR A 92 10.542 -13.719 -6.997 1.00 0.00 O ATOM 1351 CG2 THR A 92 11.487 -14.714 -8.952 1.00 0.00 C ATOM 0 H THR A 92 12.551 -12.900 -6.822 1.00 0.00 H new ATOM 0 HA THR A 92 11.991 -12.196 -9.609 1.00 0.00 H new ATOM 0 HB THR A 92 9.801 -13.345 -8.888 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.985 -14.516 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.874 -15.604 -8.813 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.672 -14.563 -10.016 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.437 -14.843 -8.433 1.00 0.00 H new ATOM 1359 N GLN A 93 11.033 -10.292 -7.245 1.00 0.00 N ATOM 1360 CA GLN A 93 10.529 -9.016 -6.798 1.00 0.00 C ATOM 1361 C GLN A 93 10.719 -7.871 -7.805 1.00 0.00 C ATOM 1362 O GLN A 93 11.549 -7.943 -8.713 1.00 0.00 O ATOM 1363 CB GLN A 93 11.285 -8.771 -5.480 1.00 0.00 C ATOM 1364 CG GLN A 93 11.020 -9.785 -4.362 1.00 0.00 C ATOM 1365 CD GLN A 93 9.620 -10.415 -4.412 1.00 0.00 C ATOM 1366 OE1 GLN A 93 8.581 -9.760 -4.478 1.00 0.00 O ATOM 1367 NE2 GLN A 93 9.583 -11.727 -4.533 1.00 0.00 N ATOM 0 H GLN A 93 11.634 -10.706 -6.532 1.00 0.00 H new ATOM 0 HA GLN A 93 9.446 -9.038 -6.676 1.00 0.00 H new ATOM 0 HB2 GLN A 93 12.354 -8.763 -5.692 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.026 -7.778 -5.113 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.766 -10.577 -4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.152 -9.292 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.445 -12.269 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.692 -12.201 -4.682 1.00 0.00 H new ATOM 1376 N GLU A 94 9.954 -6.791 -7.609 1.00 0.00 N ATOM 1377 CA GLU A 94 9.987 -5.581 -8.407 1.00 0.00 C ATOM 1378 C GLU A 94 11.372 -4.946 -8.282 1.00 0.00 C ATOM 1379 O GLU A 94 11.930 -4.492 -9.285 1.00 0.00 O ATOM 1380 CB GLU A 94 8.841 -4.652 -7.957 1.00 0.00 C ATOM 1381 CG GLU A 94 9.143 -3.168 -8.120 1.00 0.00 C ATOM 1382 CD GLU A 94 7.880 -2.308 -7.920 1.00 0.00 C ATOM 1383 OE1 GLU A 94 7.463 -2.085 -6.758 1.00 0.00 O ATOM 1384 OE2 GLU A 94 7.306 -1.842 -8.936 1.00 0.00 O ATOM 0 H GLU A 94 9.269 -6.744 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 94 9.827 -5.791 -9.465 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.945 -4.894 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.615 -4.853 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.905 -2.870 -7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.554 -2.986 -9.113 1.00 0.00 H new ATOM 1391 N ILE A 95 11.942 -4.980 -7.073 1.00 0.00 N ATOM 1392 CA ILE A 95 13.332 -4.621 -6.863 1.00 0.00 C ATOM 1393 C ILE A 95 14.030 -5.803 -6.216 1.00 0.00 C ATOM 1394 O ILE A 95 13.517 -6.420 -5.282 1.00 0.00 O ATOM 1395 CB ILE A 95 13.494 -3.383 -5.957 1.00 0.00 C ATOM 1396 CG1 ILE A 95 13.051 -2.053 -6.585 1.00 0.00 C ATOM 1397 CG2 ILE A 95 14.943 -3.193 -5.470 1.00 0.00 C ATOM 1398 CD1 ILE A 95 13.745 -1.632 -7.889 1.00 0.00 C ATOM 0 H ILE A 95 11.450 -5.256 -6.224 1.00 0.00 H new ATOM 0 HA ILE A 95 13.769 -4.372 -7.830 1.00 0.00 H new ATOM 0 HB ILE A 95 12.826 -3.611 -5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 95 11.979 -2.108 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 95 13.204 -1.263 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 95 15.001 -2.308 -4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 95 15.253 -4.069 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.602 -3.068 -6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 95 13.340 -0.677 -8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 95 14.816 -1.531 -7.715 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.572 -2.389 -8.654 1.00 0.00 H new ATOM 1410 N PHE A 96 15.225 -6.078 -6.713 1.00 0.00 N ATOM 1411 CA PHE A 96 16.188 -6.952 -6.088 1.00 0.00 C ATOM 1412 C PHE A 96 17.480 -6.208 -6.374 1.00 0.00 C ATOM 1413 O PHE A 96 17.883 -6.053 -7.532 1.00 0.00 O ATOM 1414 CB PHE A 96 16.233 -8.402 -6.575 1.00 0.00 C ATOM 1415 CG PHE A 96 17.577 -9.029 -6.215 1.00 0.00 C ATOM 1416 CD1 PHE A 96 18.049 -8.959 -4.887 1.00 0.00 C ATOM 1417 CD2 PHE A 96 18.441 -9.496 -7.225 1.00 0.00 C ATOM 1418 CE1 PHE A 96 19.374 -9.312 -4.575 1.00 0.00 C ATOM 1419 CE2 PHE A 96 19.754 -9.893 -6.905 1.00 0.00 C ATOM 1420 CZ PHE A 96 20.225 -9.794 -5.584 1.00 0.00 C ATOM 0 H PHE A 96 15.557 -5.682 -7.593 1.00 0.00 H new ATOM 0 HA PHE A 96 15.950 -7.118 -5.037 1.00 0.00 H new ATOM 0 HB2 PHE A 96 15.423 -8.972 -6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 96 16.083 -8.437 -7.654 1.00 0.00 H new ATOM 0 HD1 PHE A 96 17.385 -8.631 -4.101 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.096 -9.550 -8.247 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.737 -9.213 -3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.403 -10.276 -7.679 1.00 0.00 H new ATOM 0 HZ PHE A 96 21.237 -10.087 -5.346 1.00 0.00 H new ATOM 1430 N GLU A 97 18.074 -5.693 -5.314 1.00 0.00 N ATOM 1431 CA GLU A 97 19.361 -5.044 -5.342 1.00 0.00 C ATOM 1432 C GLU A 97 20.122 -5.576 -4.135 1.00 0.00 C ATOM 1433 O GLU A 97 19.546 -6.137 -3.193 1.00 0.00 O ATOM 1434 CB GLU A 97 19.185 -3.510 -5.306 1.00 0.00 C ATOM 1435 CG GLU A 97 19.789 -2.793 -6.525 1.00 0.00 C ATOM 1436 CD GLU A 97 21.331 -2.722 -6.491 1.00 0.00 C ATOM 1437 OE1 GLU A 97 21.986 -3.791 -6.479 1.00 0.00 O ATOM 1438 OE2 GLU A 97 21.885 -1.594 -6.485 1.00 0.00 O ATOM 0 H GLU A 97 17.657 -5.718 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 97 19.916 -5.256 -6.256 1.00 0.00 H new ATOM 0 HB2 GLU A 97 18.122 -3.276 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 97 19.648 -3.121 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 97 19.476 -3.309 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 97 19.387 -1.781 -6.579 1.00 0.00 H new ATOM 1445 N ASP A 98 21.425 -5.361 -4.151 1.00 0.00 N ATOM 1446 CA ASP A 98 22.299 -5.604 -3.025 1.00 0.00 C ATOM 1447 C ASP A 98 23.203 -4.395 -2.906 1.00 0.00 C ATOM 1448 O ASP A 98 24.148 -4.206 -3.685 1.00 0.00 O ATOM 1449 CB ASP A 98 23.077 -6.912 -3.111 1.00 0.00 C ATOM 1450 CG ASP A 98 23.804 -7.179 -1.785 1.00 0.00 C ATOM 1451 OD1 ASP A 98 24.757 -6.456 -1.423 1.00 0.00 O ATOM 1452 OD2 ASP A 98 23.471 -8.174 -1.106 1.00 0.00 O ATOM 0 H ASP A 98 21.915 -5.003 -4.971 1.00 0.00 H new ATOM 0 HA ASP A 98 21.700 -5.733 -2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 98 22.398 -7.735 -3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 98 23.798 -6.863 -3.927 1.00 0.00 H new ATOM 1457 N TRP A 99 22.851 -3.518 -1.970 1.00 0.00 N ATOM 1458 CA TRP A 99 23.629 -2.341 -1.650 1.00 0.00 C ATOM 1459 C TRP A 99 24.802 -2.821 -0.810 1.00 0.00 C ATOM 1460 O TRP A 99 24.812 -2.713 0.414 1.00 0.00 O ATOM 1461 CB TRP A 99 22.768 -1.258 -0.993 1.00 0.00 C ATOM 1462 CG TRP A 99 21.605 -0.770 -1.806 1.00 0.00 C ATOM 1463 CD1 TRP A 99 21.340 -1.051 -3.102 1.00 0.00 C ATOM 1464 CD2 TRP A 99 20.481 0.033 -1.347 1.00 0.00 C ATOM 1465 NE1 TRP A 99 20.145 -0.471 -3.475 1.00 0.00 N ATOM 1466 CE2 TRP A 99 19.537 0.143 -2.407 1.00 0.00 C ATOM 1467 CE3 TRP A 99 20.142 0.625 -0.115 1.00 0.00 C ATOM 1468 CZ2 TRP A 99 18.282 0.730 -2.232 1.00 0.00 C ATOM 1469 CZ3 TRP A 99 18.876 1.205 0.074 1.00 0.00 C ATOM 1470 CH2 TRP A 99 17.938 1.221 -0.966 1.00 0.00 C ATOM 0 H TRP A 99 22.005 -3.613 -1.409 1.00 0.00 H new ATOM 0 HA TRP A 99 24.014 -1.846 -2.541 1.00 0.00 H new ATOM 0 HB2 TRP A 99 22.390 -1.645 -0.047 1.00 0.00 H new ATOM 0 HB3 TRP A 99 23.406 -0.406 -0.757 1.00 0.00 H new ATOM 0 HD1 TRP A 99 21.971 -1.642 -3.749 1.00 0.00 H new ATOM 0 HE1 TRP A 99 19.763 -0.495 -4.420 1.00 0.00 H new ATOM 0 HE3 TRP A 99 20.861 0.633 0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 17.589 0.804 -3.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 18.624 1.642 1.029 1.00 0.00 H new ATOM 0 HH2 TRP A 99 16.947 1.613 -0.791 1.00 0.00 H new ATOM 1481 N GLN A 100 25.779 -3.379 -1.518 1.00 0.00 N ATOM 1482 CA GLN A 100 27.125 -3.799 -1.151 1.00 0.00 C ATOM 1483 C GLN A 100 27.980 -2.672 -0.518 1.00 0.00 C ATOM 1484 O GLN A 100 29.181 -2.572 -0.778 1.00 0.00 O ATOM 1485 CB GLN A 100 27.768 -4.335 -2.442 1.00 0.00 C ATOM 1486 CG GLN A 100 27.812 -3.353 -3.635 1.00 0.00 C ATOM 1487 CD GLN A 100 27.730 -4.080 -4.981 1.00 0.00 C ATOM 1488 OE1 GLN A 100 28.744 -4.369 -5.613 1.00 0.00 O ATOM 1489 NE2 GLN A 100 26.527 -4.388 -5.453 1.00 0.00 N ATOM 0 H GLN A 100 25.618 -3.574 -2.506 1.00 0.00 H new ATOM 0 HA GLN A 100 27.073 -4.560 -0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 100 28.788 -4.645 -2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 100 27.225 -5.228 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 100 26.986 -2.647 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 100 28.733 -2.772 -3.592 1.00 0.00 H new ATOM 0 HE21 GLN A 100 25.692 -4.144 -4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 100 26.438 -4.869 -6.348 1.00 0.00 H new ATOM 1498 N LEU A 101 27.354 -1.761 0.234 1.00 0.00 N ATOM 1499 CA LEU A 101 27.949 -0.526 0.719 1.00 0.00 C ATOM 1500 C LEU A 101 29.042 -0.793 1.754 1.00 0.00 C ATOM 1501 O LEU A 101 29.186 -1.922 2.226 1.00 0.00 O ATOM 1502 CB LEU A 101 26.823 0.392 1.289 1.00 0.00 C ATOM 1503 CG LEU A 101 26.551 1.708 0.533 1.00 0.00 C ATOM 1504 CD1 LEU A 101 27.732 2.675 0.646 1.00 0.00 C ATOM 1505 CD2 LEU A 101 26.243 1.461 -0.944 1.00 0.00 C ATOM 0 H LEU A 101 26.384 -1.874 0.529 1.00 0.00 H new ATOM 0 HA LEU A 101 28.436 -0.015 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 101 25.897 -0.182 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 101 27.075 0.638 2.320 1.00 0.00 H new ATOM 0 HG LEU A 101 25.676 2.157 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 101 27.505 3.592 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 101 27.910 2.911 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 101 28.623 2.212 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 101 26.057 2.413 -1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 101 27.092 0.965 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 101 25.360 0.828 -1.031 1.00 0.00 H new ATOM 1517 N GLU A 102 29.761 0.264 2.141 1.00 0.00 N ATOM 1518 CA GLU A 102 30.852 0.234 3.108 1.00 0.00 C ATOM 1519 C GLU A 102 30.473 -0.487 4.399 1.00 0.00 C ATOM 1520 O GLU A 102 29.314 -0.526 4.811 1.00 0.00 O ATOM 1521 CB GLU A 102 31.282 1.670 3.447 1.00 0.00 C ATOM 1522 CG GLU A 102 32.119 2.323 2.346 1.00 0.00 C ATOM 1523 CD GLU A 102 32.705 3.666 2.815 1.00 0.00 C ATOM 1524 OE1 GLU A 102 31.986 4.693 2.751 1.00 0.00 O ATOM 1525 OE2 GLU A 102 33.891 3.703 3.228 1.00 0.00 O ATOM 0 H GLU A 102 29.589 1.199 1.772 1.00 0.00 H new ATOM 0 HA GLU A 102 31.671 -0.318 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 102 30.394 2.276 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 102 31.855 1.662 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 102 32.927 1.653 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 102 31.502 2.482 1.462 1.00 0.00 H new ATOM 1532 N ASP A 103 31.504 -0.984 5.066 1.00 0.00 N ATOM 1533 CA ASP A 103 31.462 -1.635 6.359 1.00 0.00 C ATOM 1534 C ASP A 103 32.062 -0.692 7.416 1.00 0.00 C ATOM 1535 O ASP A 103 33.266 -0.426 7.389 1.00 0.00 O ATOM 1536 CB ASP A 103 32.250 -2.948 6.320 1.00 0.00 C ATOM 1537 CG ASP A 103 32.433 -3.480 7.746 1.00 0.00 C ATOM 1538 OD1 ASP A 103 31.490 -3.288 8.549 1.00 0.00 O ATOM 1539 OD2 ASP A 103 33.504 -4.064 8.043 1.00 0.00 O ATOM 0 H ASP A 103 32.451 -0.938 4.691 1.00 0.00 H new ATOM 0 HA ASP A 103 30.427 -1.863 6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 103 31.722 -3.683 5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 103 33.222 -2.787 5.854 1.00 0.00 H new ATOM 1544 N PRO A 104 31.249 -0.151 8.336 1.00 0.00 N ATOM 1545 CA PRO A 104 31.706 0.678 9.441 1.00 0.00 C ATOM 1546 C PRO A 104 31.913 -0.128 10.743 1.00 0.00 C ATOM 1547 O PRO A 104 32.251 0.476 11.757 1.00 0.00 O ATOM 1548 CB PRO A 104 30.559 1.677 9.621 1.00 0.00 C ATOM 1549 CG PRO A 104 29.341 0.780 9.396 1.00 0.00 C ATOM 1550 CD PRO A 104 29.799 -0.206 8.325 1.00 0.00 C ATOM 0 HA PRO A 104 32.673 1.135 9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 104 30.559 2.128 10.613 1.00 0.00 H new ATOM 0 HB3 PRO A 104 30.607 2.493 8.900 1.00 0.00 H new ATOM 0 HG2 PRO A 104 29.049 0.267 10.312 1.00 0.00 H new ATOM 0 HG3 PRO A 104 28.477 1.356 9.064 1.00 0.00 H new ATOM 0 HD2 PRO A 104 29.444 -1.213 8.542 1.00 0.00 H new ATOM 0 HD3 PRO A 104 29.404 0.067 7.346 1.00 0.00 H new ATOM 1558 N ASP A 105 31.692 -1.450 10.753 1.00 0.00 N ATOM 1559 CA ASP A 105 31.626 -2.287 11.961 1.00 0.00 C ATOM 1560 C ASP A 105 32.812 -2.133 12.914 1.00 0.00 C ATOM 1561 O ASP A 105 32.637 -2.129 14.135 1.00 0.00 O ATOM 1562 CB ASP A 105 31.469 -3.751 11.564 1.00 0.00 C ATOM 1563 CG ASP A 105 31.323 -4.689 12.769 1.00 0.00 C ATOM 1564 OD1 ASP A 105 30.451 -4.447 13.636 1.00 0.00 O ATOM 1565 OD2 ASP A 105 32.032 -5.725 12.785 1.00 0.00 O ATOM 0 H ASP A 105 31.550 -1.983 9.895 1.00 0.00 H new ATOM 0 HA ASP A 105 30.757 -1.935 12.516 1.00 0.00 H new ATOM 0 HB2 ASP A 105 30.594 -3.855 10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 105 32.334 -4.057 10.976 1.00 0.00 H new ATOM 1570 N GLY A 106 34.010 -1.959 12.351 1.00 0.00 N ATOM 1571 CA GLY A 106 35.250 -1.795 13.102 1.00 0.00 C ATOM 1572 C GLY A 106 35.805 -0.373 13.020 1.00 0.00 C ATOM 1573 O GLY A 106 37.022 -0.209 13.136 1.00 0.00 O ATOM 0 H GLY A 106 34.144 -1.928 11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 106 35.074 -2.052 14.146 1.00 0.00 H new ATOM 0 HA3 GLY A 106 35.995 -2.494 12.722 1.00 0.00 H new ATOM 1577 N GLN A 107 34.962 0.641 12.772 1.00 0.00 N ATOM 1578 CA GLN A 107 35.402 2.002 12.461 1.00 0.00 C ATOM 1579 C GLN A 107 34.861 3.061 13.416 1.00 0.00 C ATOM 1580 O GLN A 107 34.068 2.798 14.324 1.00 0.00 O ATOM 1581 CB GLN A 107 35.064 2.357 10.999 1.00 0.00 C ATOM 1582 CG GLN A 107 35.798 1.382 10.071 1.00 0.00 C ATOM 1583 CD GLN A 107 36.060 1.972 8.692 1.00 0.00 C ATOM 1584 OE1 GLN A 107 37.024 2.708 8.493 1.00 0.00 O ATOM 1585 NE2 GLN A 107 35.223 1.688 7.711 1.00 0.00 N ATOM 0 H GLN A 107 33.948 0.534 12.783 1.00 0.00 H new ATOM 0 HA GLN A 107 36.484 2.008 12.596 1.00 0.00 H new ATOM 0 HB2 GLN A 107 33.988 2.296 10.835 1.00 0.00 H new ATOM 0 HB3 GLN A 107 35.362 3.382 10.781 1.00 0.00 H new ATOM 0 HG2 GLN A 107 36.746 1.097 10.526 1.00 0.00 H new ATOM 0 HG3 GLN A 107 35.208 0.471 9.967 1.00 0.00 H new ATOM 0 HE21 GLN A 107 34.425 1.077 7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 107 35.375 2.080 6.782 1.00 0.00 H new ATOM 1594 N SER A 108 35.362 4.273 13.185 1.00 0.00 N ATOM 1595 CA SER A 108 35.080 5.472 13.955 1.00 0.00 C ATOM 1596 C SER A 108 33.661 5.970 13.656 1.00 0.00 C ATOM 1597 O SER A 108 33.068 5.592 12.637 1.00 0.00 O ATOM 1598 CB SER A 108 36.134 6.541 13.607 1.00 0.00 C ATOM 1599 OG SER A 108 37.450 5.995 13.660 1.00 0.00 O ATOM 0 H SER A 108 36.008 4.449 12.415 1.00 0.00 H new ATOM 0 HA SER A 108 35.133 5.255 15.022 1.00 0.00 H new ATOM 0 HB2 SER A 108 35.940 6.937 12.610 1.00 0.00 H new ATOM 0 HB3 SER A 108 36.054 7.376 14.303 1.00 0.00 H new ATOM 0 HG SER A 108 38.102 6.691 13.434 1.00 0.00 H new ATOM 1605 N LEU A 109 33.160 6.897 14.483 1.00 0.00 N ATOM 1606 CA LEU A 109 31.857 7.536 14.277 1.00 0.00 C ATOM 1607 C LEU A 109 31.778 8.178 12.902 1.00 0.00 C ATOM 1608 O LEU A 109 30.713 8.204 12.307 1.00 0.00 O ATOM 1609 CB LEU A 109 31.549 8.614 15.337 1.00 0.00 C ATOM 1610 CG LEU A 109 31.335 8.147 16.791 1.00 0.00 C ATOM 1611 CD1 LEU A 109 30.731 9.299 17.610 1.00 0.00 C ATOM 1612 CD2 LEU A 109 30.432 6.913 16.909 1.00 0.00 C ATOM 0 H LEU A 109 33.650 7.225 15.316 1.00 0.00 H new ATOM 0 HA LEU A 109 31.117 6.741 14.367 1.00 0.00 H new ATOM 0 HB2 LEU A 109 32.368 9.333 15.333 1.00 0.00 H new ATOM 0 HB3 LEU A 109 30.654 9.149 15.021 1.00 0.00 H new ATOM 0 HG LEU A 109 32.313 7.860 17.177 1.00 0.00 H new ATOM 0 HD11 LEU A 109 30.578 8.973 18.639 1.00 0.00 H new ATOM 0 HD12 LEU A 109 31.411 10.151 17.597 1.00 0.00 H new ATOM 0 HD13 LEU A 109 29.775 9.592 17.176 1.00 0.00 H new ATOM 0 HD21 LEU A 109 30.325 6.640 17.959 1.00 0.00 H new ATOM 0 HD22 LEU A 109 29.451 7.139 16.491 1.00 0.00 H new ATOM 0 HD23 LEU A 109 30.878 6.082 16.362 1.00 0.00 H new ATOM 1624 N GLU A 110 32.897 8.665 12.367 1.00 0.00 N ATOM 1625 CA GLU A 110 32.913 9.318 11.064 1.00 0.00 C ATOM 1626 C GLU A 110 32.487 8.351 9.979 1.00 0.00 C ATOM 1627 O GLU A 110 31.719 8.736 9.100 1.00 0.00 O ATOM 1628 CB GLU A 110 34.306 9.861 10.751 1.00 0.00 C ATOM 1629 CG GLU A 110 34.597 11.069 11.636 1.00 0.00 C ATOM 1630 CD GLU A 110 35.958 11.703 11.300 1.00 0.00 C ATOM 1631 OE1 GLU A 110 36.994 11.250 11.845 1.00 0.00 O ATOM 1632 OE2 GLU A 110 36.002 12.665 10.496 1.00 0.00 O ATOM 0 H GLU A 110 33.809 8.618 12.822 1.00 0.00 H new ATOM 0 HA GLU A 110 32.208 10.149 11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 110 35.055 9.087 10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 110 34.369 10.144 9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 110 33.808 11.811 11.510 1.00 0.00 H new ATOM 0 HG3 GLU A 110 34.585 10.765 12.683 1.00 0.00 H new ATOM 1639 N VAL A 111 32.935 7.093 10.022 1.00 0.00 N ATOM 1640 CA VAL A 111 32.522 6.160 8.999 1.00 0.00 C ATOM 1641 C VAL A 111 31.099 5.720 9.285 1.00 0.00 C ATOM 1642 O VAL A 111 30.314 5.712 8.346 1.00 0.00 O ATOM 1643 CB VAL A 111 33.563 5.054 8.775 1.00 0.00 C ATOM 1644 CG1 VAL A 111 33.167 4.258 7.520 1.00 0.00 C ATOM 1645 CG2 VAL A 111 34.955 5.676 8.548 1.00 0.00 C ATOM 0 H VAL A 111 33.562 6.717 10.733 1.00 0.00 H new ATOM 0 HA VAL A 111 32.489 6.636 8.019 1.00 0.00 H new ATOM 0 HB VAL A 111 33.598 4.405 9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 111 33.897 3.467 7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 111 32.181 3.817 7.665 1.00 0.00 H new ATOM 0 HG13 VAL A 111 33.142 4.925 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 111 35.686 4.883 8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 111 34.926 6.323 7.671 1.00 0.00 H new ATOM 0 HG23 VAL A 111 35.238 6.262 9.422 1.00 0.00 H new ATOM 1655 N PHE A 112 30.707 5.481 10.541 1.00 0.00 N ATOM 1656 CA PHE A 112 29.277 5.297 10.859 1.00 0.00 C ATOM 1657 C PHE A 112 28.416 6.404 10.200 1.00 0.00 C ATOM 1658 O PHE A 112 27.461 6.083 9.492 1.00 0.00 O ATOM 1659 CB PHE A 112 29.010 5.267 12.372 1.00 0.00 C ATOM 1660 CG PHE A 112 29.172 3.937 13.090 1.00 0.00 C ATOM 1661 CD1 PHE A 112 30.439 3.342 13.221 1.00 0.00 C ATOM 1662 CD2 PHE A 112 28.055 3.322 13.696 1.00 0.00 C ATOM 1663 CE1 PHE A 112 30.587 2.144 13.942 1.00 0.00 C ATOM 1664 CE2 PHE A 112 28.204 2.120 14.412 1.00 0.00 C ATOM 1665 CZ PHE A 112 29.472 1.530 14.534 1.00 0.00 C ATOM 0 H PHE A 112 31.338 5.411 11.340 1.00 0.00 H new ATOM 0 HA PHE A 112 28.994 4.326 10.452 1.00 0.00 H new ATOM 0 HB2 PHE A 112 29.677 5.987 12.845 1.00 0.00 H new ATOM 0 HB3 PHE A 112 27.992 5.618 12.540 1.00 0.00 H new ATOM 0 HD1 PHE A 112 31.301 3.807 12.766 1.00 0.00 H new ATOM 0 HD2 PHE A 112 27.079 3.777 13.609 1.00 0.00 H new ATOM 0 HE1 PHE A 112 31.564 1.694 14.041 1.00 0.00 H new ATOM 0 HE2 PHE A 112 27.344 1.652 14.867 1.00 0.00 H new ATOM 0 HZ PHE A 112 29.589 0.607 15.082 1.00 0.00 H new ATOM 1675 N ARG A 113 28.786 7.691 10.332 1.00 0.00 N ATOM 1676 CA ARG A 113 28.084 8.815 9.679 1.00 0.00 C ATOM 1677 C ARG A 113 28.124 8.682 8.160 1.00 0.00 C ATOM 1678 O ARG A 113 27.117 8.888 7.487 1.00 0.00 O ATOM 1679 CB ARG A 113 28.728 10.176 10.023 1.00 0.00 C ATOM 1680 CG ARG A 113 28.577 10.650 11.475 1.00 0.00 C ATOM 1681 CD ARG A 113 29.190 12.046 11.635 1.00 0.00 C ATOM 1682 NE ARG A 113 28.921 12.591 12.976 1.00 0.00 N ATOM 1683 CZ ARG A 113 29.710 13.412 13.683 1.00 0.00 C ATOM 1684 NH1 ARG A 113 30.865 13.860 13.190 1.00 0.00 N ATOM 1685 NH2 ARG A 113 29.331 13.781 14.897 1.00 0.00 N ATOM 0 H ARG A 113 29.584 7.983 10.897 1.00 0.00 H new ATOM 0 HA ARG A 113 27.059 8.778 10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 113 29.791 10.121 9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 113 28.297 10.934 9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 113 27.523 10.672 11.752 1.00 0.00 H new ATOM 0 HG3 ARG A 113 29.068 9.948 12.149 1.00 0.00 H new ATOM 0 HD2 ARG A 113 30.266 11.996 11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 113 28.781 12.715 10.878 1.00 0.00 H new ATOM 0 HE ARG A 113 28.042 12.315 13.413 1.00 0.00 H new ATOM 0 HH11 ARG A 113 31.164 13.579 12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 113 31.449 14.484 13.746 1.00 0.00 H new ATOM 0 HH21 ARG A 113 28.450 13.441 15.282 1.00 0.00 H new ATOM 0 HH22 ARG A 113 29.920 14.405 15.448 1.00 0.00 H new ATOM 1699 N THR A 114 29.294 8.376 7.616 1.00 0.00 N ATOM 1700 CA THR A 114 29.522 8.383 6.183 1.00 0.00 C ATOM 1701 C THR A 114 28.735 7.254 5.519 1.00 0.00 C ATOM 1702 O THR A 114 28.209 7.445 4.420 1.00 0.00 O ATOM 1703 CB THR A 114 31.032 8.259 5.925 1.00 0.00 C ATOM 1704 OG1 THR A 114 31.713 9.371 6.481 1.00 0.00 O ATOM 1705 CG2 THR A 114 31.382 8.185 4.440 1.00 0.00 C ATOM 0 H THR A 114 30.115 8.115 8.162 1.00 0.00 H new ATOM 0 HA THR A 114 29.170 9.318 5.746 1.00 0.00 H new ATOM 0 HB THR A 114 31.344 7.326 6.396 1.00 0.00 H new ATOM 0 HG1 THR A 114 31.894 9.203 7.429 1.00 0.00 H new ATOM 0 HG21 THR A 114 32.462 8.099 4.325 1.00 0.00 H new ATOM 0 HG22 THR A 114 30.899 7.315 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 114 31.035 9.089 3.939 1.00 0.00 H new ATOM 1713 N VAL A 115 28.620 6.080 6.148 1.00 0.00 N ATOM 1714 CA VAL A 115 27.919 4.967 5.513 1.00 0.00 C ATOM 1715 C VAL A 115 26.423 5.238 5.606 1.00 0.00 C ATOM 1716 O VAL A 115 25.730 5.148 4.599 1.00 0.00 O ATOM 1717 CB VAL A 115 28.337 3.602 6.109 1.00 0.00 C ATOM 1718 CG1 VAL A 115 27.675 2.446 5.341 1.00 0.00 C ATOM 1719 CG2 VAL A 115 29.859 3.406 6.032 1.00 0.00 C ATOM 0 H VAL A 115 28.995 5.881 7.075 1.00 0.00 H new ATOM 0 HA VAL A 115 28.196 4.898 4.461 1.00 0.00 H new ATOM 0 HB VAL A 115 28.014 3.599 7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 115 27.983 1.496 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 115 26.591 2.540 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 115 27.981 2.481 4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 115 30.123 2.438 6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 115 30.178 3.443 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 115 30.357 4.197 6.593 1.00 0.00 H new ATOM 1729 N ARG A 116 25.948 5.685 6.772 1.00 0.00 N ATOM 1730 CA ARG A 116 24.589 6.177 6.985 1.00 0.00 C ATOM 1731 C ARG A 116 24.167 7.130 5.872 1.00 0.00 C ATOM 1732 O ARG A 116 23.125 6.907 5.270 1.00 0.00 O ATOM 1733 CB ARG A 116 24.591 6.815 8.384 1.00 0.00 C ATOM 1734 CG ARG A 116 23.386 7.666 8.782 1.00 0.00 C ATOM 1735 CD ARG A 116 23.782 8.541 9.971 1.00 0.00 C ATOM 1736 NE ARG A 116 24.357 9.846 9.553 1.00 0.00 N ATOM 1737 CZ ARG A 116 24.886 10.766 10.375 1.00 0.00 C ATOM 1738 NH1 ARG A 116 24.848 10.595 11.689 1.00 0.00 N ATOM 1739 NH2 ARG A 116 25.476 11.847 9.883 1.00 0.00 N ATOM 0 H ARG A 116 26.518 5.714 7.618 1.00 0.00 H new ATOM 0 HA ARG A 116 23.847 5.380 6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 116 24.692 6.014 9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 116 25.482 7.437 8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 116 23.067 8.287 7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 116 22.542 7.028 9.045 1.00 0.00 H new ATOM 0 HD2 ARG A 116 22.906 8.717 10.595 1.00 0.00 H new ATOM 0 HD3 ARG A 116 24.508 8.008 10.584 1.00 0.00 H new ATOM 0 HE ARG A 116 24.349 10.061 8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 116 24.415 9.760 12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 116 25.252 11.299 12.307 1.00 0.00 H new ATOM 0 HH21 ARG A 116 25.530 11.984 8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 116 25.876 12.542 10.514 1.00 0.00 H new ATOM 1753 N GLY A 117 24.961 8.151 5.545 1.00 0.00 N ATOM 1754 CA GLY A 117 24.567 9.118 4.523 1.00 0.00 C ATOM 1755 C GLY A 117 24.438 8.479 3.145 1.00 0.00 C ATOM 1756 O GLY A 117 23.449 8.699 2.454 1.00 0.00 O ATOM 0 H GLY A 117 25.872 8.328 5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 117 23.616 9.572 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 117 25.303 9.921 4.482 1.00 0.00 H new ATOM 1760 N GLN A 118 25.370 7.612 2.751 1.00 0.00 N ATOM 1761 CA GLN A 118 25.277 6.930 1.461 1.00 0.00 C ATOM 1762 C GLN A 118 24.079 5.995 1.429 1.00 0.00 C ATOM 1763 O GLN A 118 23.404 5.874 0.405 1.00 0.00 O ATOM 1764 CB GLN A 118 26.558 6.151 1.176 1.00 0.00 C ATOM 1765 CG GLN A 118 27.759 7.097 1.116 1.00 0.00 C ATOM 1766 CD GLN A 118 29.059 6.302 1.082 1.00 0.00 C ATOM 1767 OE1 GLN A 118 29.550 5.897 0.032 1.00 0.00 O ATOM 1768 NE2 GLN A 118 29.610 6.044 2.253 1.00 0.00 N ATOM 0 H GLN A 118 26.192 7.367 3.302 1.00 0.00 H new ATOM 0 HA GLN A 118 25.145 7.686 0.687 1.00 0.00 H new ATOM 0 HB2 GLN A 118 26.716 5.403 1.953 1.00 0.00 H new ATOM 0 HB3 GLN A 118 26.462 5.615 0.232 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.688 7.729 0.231 1.00 0.00 H new ATOM 0 HG3 GLN A 118 27.752 7.759 1.982 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.178 6.394 3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.468 5.494 2.303 1.00 0.00 H new ATOM 1777 N VAL A 119 23.774 5.367 2.565 1.00 0.00 N ATOM 1778 CA VAL A 119 22.577 4.556 2.696 1.00 0.00 C ATOM 1779 C VAL A 119 21.363 5.464 2.517 1.00 0.00 C ATOM 1780 O VAL A 119 20.455 5.076 1.797 1.00 0.00 O ATOM 1781 CB VAL A 119 22.572 3.809 4.043 1.00 0.00 C ATOM 1782 CG1 VAL A 119 21.222 3.168 4.358 1.00 0.00 C ATOM 1783 CG2 VAL A 119 23.629 2.693 4.037 1.00 0.00 C ATOM 0 H VAL A 119 24.347 5.409 3.408 1.00 0.00 H new ATOM 0 HA VAL A 119 22.547 3.785 1.926 1.00 0.00 H new ATOM 0 HB VAL A 119 22.791 4.558 4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 119 21.278 2.656 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 119 20.454 3.940 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 119 20.969 2.450 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 119 23.615 2.173 4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 119 23.407 1.986 3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 119 24.616 3.127 3.874 1.00 0.00 H new ATOM 1793 N LYS A 120 21.329 6.671 3.093 1.00 0.00 N ATOM 1794 CA LYS A 120 20.172 7.563 2.961 1.00 0.00 C ATOM 1795 C LYS A 120 19.890 7.894 1.501 1.00 0.00 C ATOM 1796 O LYS A 120 18.736 7.928 1.089 1.00 0.00 O ATOM 1797 CB LYS A 120 20.314 8.796 3.884 1.00 0.00 C ATOM 1798 CG LYS A 120 20.943 10.104 3.343 1.00 0.00 C ATOM 1799 CD LYS A 120 19.985 11.308 3.319 1.00 0.00 C ATOM 1800 CE LYS A 120 18.885 11.174 2.247 1.00 0.00 C ATOM 1801 NZ LYS A 120 18.027 12.388 2.172 1.00 0.00 N ATOM 0 H LYS A 120 22.090 7.052 3.655 1.00 0.00 H new ATOM 0 HA LYS A 120 19.280 7.042 3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 120 19.317 9.043 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 120 20.902 8.487 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 120 21.809 10.356 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 120 21.308 9.926 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 120 19.520 11.416 4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 120 20.556 12.218 3.135 1.00 0.00 H new ATOM 0 HE2 LYS A 120 19.346 10.995 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 120 18.265 10.306 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 17.475 12.369 1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 17.379 12.406 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 18.626 13.238 2.188 1.00 0.00 H new ATOM 1815 N GLU A 121 20.939 8.107 0.717 1.00 0.00 N ATOM 1816 CA GLU A 121 20.881 8.406 -0.700 1.00 0.00 C ATOM 1817 C GLU A 121 20.396 7.176 -1.468 1.00 0.00 C ATOM 1818 O GLU A 121 19.512 7.297 -2.314 1.00 0.00 O ATOM 1819 CB GLU A 121 22.296 8.892 -1.096 1.00 0.00 C ATOM 1820 CG GLU A 121 22.845 8.386 -2.429 1.00 0.00 C ATOM 1821 CD GLU A 121 24.125 9.142 -2.834 1.00 0.00 C ATOM 1822 OE1 GLU A 121 25.225 8.782 -2.348 1.00 0.00 O ATOM 1823 OE2 GLU A 121 24.038 10.092 -3.649 1.00 0.00 O ATOM 0 H GLU A 121 21.895 8.074 1.072 1.00 0.00 H new ATOM 0 HA GLU A 121 20.165 9.189 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 121 22.287 9.982 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 121 22.990 8.598 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 121 23.059 7.320 -2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 121 22.089 8.506 -3.205 1.00 0.00 H new ATOM 1830 N ARG A 122 20.911 5.982 -1.160 1.00 0.00 N ATOM 1831 CA ARG A 122 20.444 4.759 -1.818 1.00 0.00 C ATOM 1832 C ARG A 122 19.003 4.429 -1.454 1.00 0.00 C ATOM 1833 O ARG A 122 18.222 4.116 -2.347 1.00 0.00 O ATOM 1834 CB ARG A 122 21.382 3.589 -1.529 1.00 0.00 C ATOM 1835 CG ARG A 122 22.630 3.643 -2.431 1.00 0.00 C ATOM 1836 CD ARG A 122 23.087 2.219 -2.735 1.00 0.00 C ATOM 1837 NE ARG A 122 24.061 2.160 -3.848 1.00 0.00 N ATOM 1838 CZ ARG A 122 23.975 1.381 -4.942 1.00 0.00 C ATOM 1839 NH1 ARG A 122 22.885 0.653 -5.167 1.00 0.00 N ATOM 1840 NH2 ARG A 122 24.987 1.325 -5.800 1.00 0.00 N ATOM 0 H ARG A 122 21.644 5.837 -0.466 1.00 0.00 H new ATOM 0 HA ARG A 122 20.461 4.940 -2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 122 21.685 3.612 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 122 20.855 2.648 -1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 122 22.402 4.171 -3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 122 23.428 4.197 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 122 23.536 1.787 -1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 122 22.219 1.608 -2.983 1.00 0.00 H new ATOM 0 HE ARG A 122 24.876 2.769 -3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 122 22.107 0.683 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 122 22.827 0.065 -5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 122 25.831 1.873 -5.630 1.00 0.00 H new ATOM 0 HH22 ARG A 122 24.921 0.734 -6.629 1.00 0.00 H new ATOM 1854 N VAL A 123 18.617 4.588 -0.190 1.00 0.00 N ATOM 1855 CA VAL A 123 17.244 4.467 0.252 1.00 0.00 C ATOM 1856 C VAL A 123 16.388 5.411 -0.576 1.00 0.00 C ATOM 1857 O VAL A 123 15.435 4.981 -1.220 1.00 0.00 O ATOM 1858 CB VAL A 123 17.194 4.742 1.766 1.00 0.00 C ATOM 1859 CG1 VAL A 123 15.774 4.972 2.260 1.00 0.00 C ATOM 1860 CG2 VAL A 123 17.760 3.573 2.580 1.00 0.00 C ATOM 0 H VAL A 123 19.268 4.808 0.564 1.00 0.00 H new ATOM 0 HA VAL A 123 16.844 3.465 0.101 1.00 0.00 H new ATOM 0 HB VAL A 123 17.797 5.638 1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 123 15.788 5.162 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 123 15.344 5.831 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 123 15.170 4.088 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 123 17.705 3.809 3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 123 17.178 2.674 2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 123 18.799 3.404 2.299 1.00 0.00 H new ATOM 1870 N GLU A 124 16.760 6.679 -0.635 1.00 0.00 N ATOM 1871 CA GLU A 124 15.975 7.681 -1.322 1.00 0.00 C ATOM 1872 C GLU A 124 15.891 7.400 -2.826 1.00 0.00 C ATOM 1873 O GLU A 124 14.851 7.644 -3.431 1.00 0.00 O ATOM 1874 CB GLU A 124 16.563 9.034 -0.961 1.00 0.00 C ATOM 1875 CG GLU A 124 15.709 10.177 -1.485 1.00 0.00 C ATOM 1876 CD GLU A 124 16.273 11.542 -1.053 1.00 0.00 C ATOM 1877 OE1 GLU A 124 16.205 11.876 0.156 1.00 0.00 O ATOM 1878 OE2 GLU A 124 16.798 12.284 -1.916 1.00 0.00 O ATOM 0 H GLU A 124 17.614 7.038 -0.208 1.00 0.00 H new ATOM 0 HA GLU A 124 14.933 7.663 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 124 16.653 9.114 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 124 17.570 9.114 -1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 124 15.662 10.129 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 124 14.689 10.070 -1.116 1.00 0.00 H new ATOM 1885 N ASN A 125 16.932 6.822 -3.429 1.00 0.00 N ATOM 1886 CA ASN A 125 16.906 6.375 -4.817 1.00 0.00 C ATOM 1887 C ASN A 125 15.878 5.274 -5.026 1.00 0.00 C ATOM 1888 O ASN A 125 15.103 5.336 -5.973 1.00 0.00 O ATOM 1889 CB ASN A 125 18.274 5.860 -5.278 1.00 0.00 C ATOM 1890 CG ASN A 125 19.108 6.970 -5.909 1.00 0.00 C ATOM 1891 OD1 ASN A 125 19.175 7.096 -7.127 1.00 0.00 O ATOM 1892 ND2 ASN A 125 19.734 7.807 -5.099 1.00 0.00 N ATOM 0 H ASN A 125 17.822 6.651 -2.961 1.00 0.00 H new ATOM 0 HA ASN A 125 16.635 7.247 -5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 125 18.811 5.440 -4.428 1.00 0.00 H new ATOM 0 HB3 ASN A 125 18.136 5.054 -5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 125 20.285 8.574 -5.485 1.00 0.00 H new ATOM 0 HD22 ASN A 125 19.666 7.686 -4.089 1.00 0.00 H new ATOM 1899 N LEU A 126 15.848 4.275 -4.140 1.00 0.00 N ATOM 1900 CA LEU A 126 14.845 3.208 -4.184 1.00 0.00 C ATOM 1901 C LEU A 126 13.462 3.818 -4.094 1.00 0.00 C ATOM 1902 O LEU A 126 12.613 3.522 -4.924 1.00 0.00 O ATOM 1903 CB LEU A 126 15.141 2.150 -3.105 1.00 0.00 C ATOM 1904 CG LEU A 126 13.960 1.543 -2.318 1.00 0.00 C ATOM 1905 CD1 LEU A 126 14.142 0.045 -2.139 1.00 0.00 C ATOM 1906 CD2 LEU A 126 13.801 2.129 -0.915 1.00 0.00 C ATOM 0 H LEU A 126 16.516 4.183 -3.375 1.00 0.00 H new ATOM 0 HA LEU A 126 14.889 2.674 -5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 126 15.675 1.330 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 126 15.825 2.597 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 126 13.077 1.779 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 126 13.297 -0.360 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 126 14.195 -0.434 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 126 15.064 -0.146 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 126 12.953 1.658 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 126 14.708 1.944 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 126 13.629 3.203 -0.987 1.00 0.00 H new ATOM 1918 N ILE A 127 13.274 4.721 -3.147 1.00 0.00 N ATOM 1919 CA ILE A 127 12.023 5.437 -2.945 1.00 0.00 C ATOM 1920 C ILE A 127 11.647 6.192 -4.218 1.00 0.00 C ATOM 1921 O ILE A 127 10.493 6.149 -4.620 1.00 0.00 O ATOM 1922 CB ILE A 127 12.230 6.339 -1.719 1.00 0.00 C ATOM 1923 CG1 ILE A 127 11.876 5.509 -0.471 1.00 0.00 C ATOM 1924 CG2 ILE A 127 11.471 7.671 -1.715 1.00 0.00 C ATOM 1925 CD1 ILE A 127 12.881 5.767 0.641 1.00 0.00 C ATOM 0 H ILE A 127 14.002 4.984 -2.482 1.00 0.00 H new ATOM 0 HA ILE A 127 11.181 4.773 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 127 13.274 6.652 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.873 5.764 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 127 11.867 4.448 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.699 8.217 -0.799 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.775 8.265 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.399 7.479 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 127 12.616 5.173 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 127 13.879 5.489 0.302 1.00 0.00 H new ATOM 0 HD13 ILE A 127 12.869 6.825 0.904 1.00 0.00 H new ATOM 1937 N ALA A 128 12.604 6.824 -4.898 1.00 0.00 N ATOM 1938 CA ALA A 128 12.335 7.544 -6.132 1.00 0.00 C ATOM 1939 C ALA A 128 11.788 6.622 -7.231 1.00 0.00 C ATOM 1940 O ALA A 128 11.043 7.090 -8.096 1.00 0.00 O ATOM 1941 CB ALA A 128 13.592 8.290 -6.595 1.00 0.00 C ATOM 0 H ALA A 128 13.581 6.848 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 128 11.555 8.277 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.377 8.825 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.897 9.001 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 128 14.396 7.575 -6.768 1.00 0.00 H new ATOM 1947 N LYS A 129 12.123 5.325 -7.203 1.00 0.00 N ATOM 1948 CA LYS A 129 11.563 4.343 -8.118 1.00 0.00 C ATOM 1949 C LYS A 129 10.140 3.937 -7.734 1.00 0.00 C ATOM 1950 O LYS A 129 9.306 3.789 -8.630 1.00 0.00 O ATOM 1951 CB LYS A 129 12.447 3.090 -8.172 1.00 0.00 C ATOM 1952 CG LYS A 129 13.884 3.382 -8.604 1.00 0.00 C ATOM 1953 CD LYS A 129 14.707 2.112 -8.405 1.00 0.00 C ATOM 1954 CE LYS A 129 16.199 2.371 -8.620 1.00 0.00 C ATOM 1955 NZ LYS A 129 16.563 2.616 -10.047 1.00 0.00 N ATOM 0 H LYS A 129 12.793 4.934 -6.540 1.00 0.00 H new ATOM 0 HA LYS A 129 11.528 4.816 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.459 2.620 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 129 12.006 2.372 -8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.912 3.694 -9.648 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.299 4.201 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.545 1.726 -7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.366 1.344 -9.099 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.499 3.233 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 129 16.765 1.515 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.587 2.784 -10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.307 1.786 -10.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.050 3.450 -10.398 1.00 0.00 H new ATOM 1969 N ILE A 130 9.854 3.744 -6.438 1.00 0.00 N ATOM 1970 CA ILE A 130 8.610 3.135 -5.983 1.00 0.00 C ATOM 1971 C ILE A 130 7.531 4.086 -5.465 1.00 0.00 C ATOM 1972 O ILE A 130 6.348 3.789 -5.649 1.00 0.00 O ATOM 1973 CB ILE A 130 8.907 2.013 -4.968 1.00 0.00 C ATOM 1974 CG1 ILE A 130 9.722 2.397 -3.717 1.00 0.00 C ATOM 1975 CG2 ILE A 130 9.445 0.782 -5.724 1.00 0.00 C ATOM 1976 CD1 ILE A 130 10.274 1.189 -2.935 1.00 0.00 C ATOM 0 H ILE A 130 10.484 4.008 -5.680 1.00 0.00 H new ATOM 0 HA ILE A 130 8.161 2.723 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 130 7.955 1.765 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 130 10.554 3.033 -4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 130 9.093 2.990 -3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 130 9.658 -0.017 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 130 8.699 0.441 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 130 10.360 1.051 -6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 130 10.835 1.541 -2.070 1.00 0.00 H new ATOM 0 HD12 ILE A 130 9.447 0.563 -2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 130 10.931 0.607 -3.581 1.00 0.00 H new ATOM 1988 N SER A 131 7.890 5.173 -4.802 1.00 0.00 N ATOM 1989 CA SER A 131 6.955 6.109 -4.216 1.00 0.00 C ATOM 1990 C SER A 131 6.342 7.032 -5.279 1.00 0.00 C ATOM 1991 O SER A 131 6.911 7.176 -6.389 1.00 0.00 O ATOM 1992 CB SER A 131 7.681 6.908 -3.138 1.00 0.00 C ATOM 1993 OG SER A 131 8.258 6.016 -2.187 1.00 0.00 O ATOM 1994 OXT SER A 131 5.283 7.640 -4.989 1.00 0.00 O ATOM 0 H SER A 131 8.865 5.432 -4.655 1.00 0.00 H new ATOM 0 HA SER A 131 6.126 5.561 -3.768 1.00 0.00 H new ATOM 0 HB2 SER A 131 8.457 7.525 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 131 6.985 7.584 -2.642 1.00 0.00 H new ATOM 0 HG SER A 131 9.127 5.704 -2.516 1.00 0.00 H new