USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1122 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: B 9 HIS : no HD1:sc= -0.778 K(o=1.1,f=-5.4!) USER MOD Set 1.2: B 37 HIS : no HD1:sc= 0.818 K(o=1.1,f=-2.7) USER MOD Set 1.3: B 40 THR OG1 : rot 69:sc= 1.06 USER MOD Set 2.1: A 69 ASN : amide:sc= -1.17 K(o=-3,f=-7.7!) USER MOD Set 2.2: B 67 HIS : no HE2:sc= -1.86! C(o=-3!,f=-9.3!) USER MOD Set 3.1: A 67 HIS : no HE2:sc= -0.31 K(o=-2.2,f=-8.9!) USER MOD Set 3.2: B 69 ASN : amide:sc= -1.89! K(o=-2.2!,f=-8.1) USER MOD Set 4.1: A 37 HIS : no HD1:sc= 0.275 K(o=0.28,f=-3.4!) USER MOD Set 4.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 9 HIS : no HD1:sc= 0.399! C(o=-2!,f=-12!) USER MOD Set 5.2: A 15 CYS SG : rot 104:sc= -2.37! USER MOD Single : A 3 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 1.26 (180deg=1.23) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.53 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.104 K(o=-0.1,f=-2.1) USER MOD Single : A 24 ASN : amide:sc= 1.05 K(o=1,f=-0.037) USER MOD Single : A 29 SER OG : rot 99:sc= 1.22 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 1.13 (180deg=1.08) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= 1.13 (180deg=0.388) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc=-0.00676 (180deg=-0.135) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= -0.0342 (180deg=-0.177) USER MOD Single : A 55 SER OG : rot -129:sc= 0.187 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 1.94 (180deg=1.31) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 CYS SG : rot 180:sc= 0.0149 USER MOD Single : B 15 CYS SG : rot 15:sc= -6.87! USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.323 K(o=-0.32,f=-1) USER MOD Single : B 24 ASN : amide:sc= 0.7 K(o=0.7,f=-0.072) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 167:sc= -0.0331 (180deg=-0.203) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 169:sc= -0.0166 (180deg=-0.198) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ 164:sc= 0.297! (180deg=-0.328!) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 26.945 15.842 -12.790 1.00 0.00 N ATOM 20 CA ALA A 2 27.119 15.404 -11.415 1.00 0.00 C ATOM 21 C ALA A 2 26.816 16.542 -10.450 1.00 0.00 C ATOM 22 O ALA A 2 26.899 17.714 -10.816 1.00 0.00 O ATOM 23 CB ALA A 2 28.531 14.884 -11.202 1.00 0.00 C ATOM 0 HA ALA A 2 26.418 14.593 -11.218 1.00 0.00 H new ATOM 0 HB1 ALA A 2 28.647 14.559 -10.168 1.00 0.00 H new ATOM 0 HB2 ALA A 2 28.713 14.042 -11.869 1.00 0.00 H new ATOM 0 HB3 ALA A 2 29.247 15.678 -11.416 1.00 0.00 H new ATOM 29 N SER A 3 26.443 16.197 -9.227 1.00 0.00 N ATOM 30 CA SER A 3 26.144 17.196 -8.213 1.00 0.00 C ATOM 31 C SER A 3 26.423 16.660 -6.811 1.00 0.00 C ATOM 32 O SER A 3 26.701 15.469 -6.629 1.00 0.00 O ATOM 33 CB SER A 3 24.685 17.645 -8.324 1.00 0.00 C ATOM 34 OG SER A 3 24.431 18.249 -9.582 1.00 0.00 O ATOM 0 H SER A 3 26.340 15.232 -8.913 1.00 0.00 H new ATOM 0 HA SER A 3 26.795 18.054 -8.384 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.026 16.787 -8.189 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.457 18.351 -7.525 1.00 0.00 H new ATOM 0 HG SER A 3 23.492 18.526 -9.628 1.00 0.00 H new ATOM 40 N LYS A 4 26.349 17.557 -5.835 1.00 0.00 N ATOM 41 CA LYS A 4 26.583 17.222 -4.436 1.00 0.00 C ATOM 42 C LYS A 4 25.455 16.347 -3.891 1.00 0.00 C ATOM 43 O LYS A 4 24.281 16.606 -4.149 1.00 0.00 O ATOM 44 CB LYS A 4 26.684 18.515 -3.616 1.00 0.00 C ATOM 45 CG LYS A 4 27.003 18.304 -2.143 1.00 0.00 C ATOM 46 CD LYS A 4 28.444 17.867 -1.933 1.00 0.00 C ATOM 47 CE LYS A 4 28.747 17.662 -0.459 1.00 0.00 C ATOM 48 NZ LYS A 4 30.168 17.307 -0.217 1.00 0.00 N ATOM 0 H LYS A 4 26.124 18.540 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 4 27.515 16.662 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 4 27.454 19.149 -4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 4 25.741 19.056 -3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 4 26.820 19.229 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 4 26.331 17.551 -1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 4 28.629 16.941 -2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 4 29.118 18.618 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 4 28.505 18.573 0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 4 28.106 16.873 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 30.313 17.128 0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 30.409 16.452 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 30.779 18.092 -0.521 1.00 0.00 H new ATOM 62 N ALA A 5 25.815 15.311 -3.147 1.00 0.00 N ATOM 63 CA ALA A 5 24.831 14.446 -2.514 1.00 0.00 C ATOM 64 C ALA A 5 25.314 14.016 -1.134 1.00 0.00 C ATOM 65 O ALA A 5 26.372 13.405 -1.000 1.00 0.00 O ATOM 66 CB ALA A 5 24.547 13.231 -3.384 1.00 0.00 C ATOM 0 H ALA A 5 26.784 15.049 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 5 23.903 15.006 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.809 12.597 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 5 24.161 13.557 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 5 25.468 12.667 -3.533 1.00 0.00 H new ATOM 72 N ILE A 6 24.545 14.349 -0.111 1.00 0.00 N ATOM 73 CA ILE A 6 24.921 14.026 1.259 1.00 0.00 C ATOM 74 C ILE A 6 23.861 13.141 1.902 1.00 0.00 C ATOM 75 O ILE A 6 22.666 13.399 1.769 1.00 0.00 O ATOM 76 CB ILE A 6 25.097 15.297 2.118 1.00 0.00 C ATOM 77 CG1 ILE A 6 25.984 16.318 1.399 1.00 0.00 C ATOM 78 CG2 ILE A 6 25.700 14.937 3.468 1.00 0.00 C ATOM 79 CD1 ILE A 6 26.112 17.637 2.135 1.00 0.00 C ATOM 0 H ILE A 6 23.657 14.842 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 6 25.874 13.500 1.216 1.00 0.00 H new ATOM 0 HB ILE A 6 24.116 15.745 2.276 1.00 0.00 H new ATOM 0 HG12 ILE A 6 26.977 15.891 1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 6 25.577 16.504 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 6 25.820 15.841 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 6 25.040 14.243 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 6 26.673 14.469 3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 6 26.754 18.310 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 6 25.126 18.087 2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 6 26.548 17.464 3.119 1.00 0.00 H new ATOM 91 N PHE A 7 24.295 12.100 2.592 1.00 0.00 N ATOM 92 CA PHE A 7 23.370 11.190 3.250 1.00 0.00 C ATOM 93 C PHE A 7 23.616 11.189 4.758 1.00 0.00 C ATOM 94 O PHE A 7 24.609 10.638 5.233 1.00 0.00 O ATOM 95 CB PHE A 7 23.532 9.779 2.676 1.00 0.00 C ATOM 96 CG PHE A 7 22.394 8.848 2.990 1.00 0.00 C ATOM 97 CD1 PHE A 7 22.324 8.199 4.209 1.00 0.00 C ATOM 98 CD2 PHE A 7 21.398 8.617 2.055 1.00 0.00 C ATOM 99 CE1 PHE A 7 21.281 7.338 4.495 1.00 0.00 C ATOM 100 CE2 PHE A 7 20.354 7.755 2.334 1.00 0.00 C ATOM 101 CZ PHE A 7 20.296 7.115 3.555 1.00 0.00 C ATOM 0 H PHE A 7 25.280 11.863 2.712 1.00 0.00 H new ATOM 0 HA PHE A 7 22.349 11.525 3.069 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.640 9.850 1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.456 9.347 3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 7 23.094 8.367 4.947 1.00 0.00 H new ATOM 0 HD2 PHE A 7 21.438 9.116 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 7 21.237 6.841 5.453 1.00 0.00 H new ATOM 0 HE2 PHE A 7 19.584 7.583 1.597 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.481 6.441 3.774 1.00 0.00 H new ATOM 111 N TYR A 8 22.716 11.820 5.501 1.00 0.00 N ATOM 112 CA TYR A 8 22.839 11.903 6.953 1.00 0.00 C ATOM 113 C TYR A 8 22.041 10.800 7.634 1.00 0.00 C ATOM 114 O TYR A 8 20.841 10.654 7.386 1.00 0.00 O ATOM 115 CB TYR A 8 22.336 13.256 7.470 1.00 0.00 C ATOM 116 CG TYR A 8 23.217 14.436 7.126 1.00 0.00 C ATOM 117 CD1 TYR A 8 24.396 14.669 7.821 1.00 0.00 C ATOM 118 CD2 TYR A 8 22.855 15.329 6.127 1.00 0.00 C ATOM 119 CE1 TYR A 8 25.191 15.760 7.529 1.00 0.00 C ATOM 120 CE2 TYR A 8 23.648 16.420 5.826 1.00 0.00 C ATOM 121 CZ TYR A 8 24.814 16.632 6.531 1.00 0.00 C ATOM 122 OH TYR A 8 25.603 17.721 6.238 1.00 0.00 O ATOM 0 H TYR A 8 21.890 12.283 5.122 1.00 0.00 H new ATOM 0 HA TYR A 8 23.897 11.789 7.190 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.339 13.435 7.066 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.235 13.200 8.554 1.00 0.00 H new ATOM 0 HD1 TYR A 8 24.696 13.986 8.602 1.00 0.00 H new ATOM 0 HD2 TYR A 8 21.940 15.169 5.577 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.104 15.929 8.080 1.00 0.00 H new ATOM 0 HE2 TYR A 8 23.356 17.103 5.042 1.00 0.00 H new ATOM 0 HH TYR A 8 25.195 18.234 5.509 1.00 0.00 H new ATOM 132 N HIS A 9 22.700 10.030 8.492 1.00 0.00 N ATOM 133 CA HIS A 9 22.010 9.044 9.315 1.00 0.00 C ATOM 134 C HIS A 9 22.888 8.628 10.494 1.00 0.00 C ATOM 135 O HIS A 9 24.051 9.021 10.575 1.00 0.00 O ATOM 136 CB HIS A 9 21.581 7.823 8.488 1.00 0.00 C ATOM 137 CG HIS A 9 22.693 6.909 8.063 1.00 0.00 C ATOM 138 ND1 HIS A 9 22.936 5.738 8.729 1.00 0.00 N ATOM 139 CD2 HIS A 9 23.542 7.006 7.014 1.00 0.00 C ATOM 140 CE1 HIS A 9 23.917 5.146 8.072 1.00 0.00 C ATOM 141 NE2 HIS A 9 24.319 5.874 7.021 1.00 0.00 N ATOM 0 H HIS A 9 23.709 10.069 8.636 1.00 0.00 H new ATOM 0 HA HIS A 9 21.103 9.505 9.706 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.862 7.246 9.070 1.00 0.00 H new ATOM 0 HB3 HIS A 9 21.061 8.174 7.596 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.598 7.819 6.306 1.00 0.00 H new ATOM 0 HE1 HIS A 9 24.343 4.193 8.348 1.00 0.00 H new ATOM 0 HE2 HIS A 9 25.056 5.635 6.358 1.00 0.00 H new ATOM 149 N ALA A 10 22.328 7.842 11.408 1.00 0.00 N ATOM 150 CA ALA A 10 23.046 7.450 12.617 1.00 0.00 C ATOM 151 C ALA A 10 23.279 5.941 12.673 1.00 0.00 C ATOM 152 O ALA A 10 23.773 5.420 13.670 1.00 0.00 O ATOM 153 CB ALA A 10 22.287 7.914 13.849 1.00 0.00 C ATOM 0 H ALA A 10 21.383 7.465 11.336 1.00 0.00 H new ATOM 0 HA ALA A 10 24.023 7.932 12.595 1.00 0.00 H new ATOM 0 HB1 ALA A 10 22.831 7.616 14.745 1.00 0.00 H new ATOM 0 HB2 ALA A 10 22.188 8.999 13.828 1.00 0.00 H new ATOM 0 HB3 ALA A 10 21.296 7.460 13.859 1.00 0.00 H new ATOM 159 N GLY A 11 22.947 5.247 11.595 1.00 0.00 N ATOM 160 CA GLY A 11 23.109 3.804 11.565 1.00 0.00 C ATOM 161 C GLY A 11 21.887 3.077 12.084 1.00 0.00 C ATOM 162 O GLY A 11 21.944 1.887 12.389 1.00 0.00 O ATOM 0 H GLY A 11 22.568 5.654 10.740 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.312 3.485 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.976 3.526 12.164 1.00 0.00 H new ATOM 166 N CYS A 12 20.780 3.798 12.185 1.00 0.00 N ATOM 167 CA CYS A 12 19.526 3.230 12.657 1.00 0.00 C ATOM 168 C CYS A 12 19.005 2.191 11.663 1.00 0.00 C ATOM 169 O CYS A 12 19.205 2.333 10.458 1.00 0.00 O ATOM 170 CB CYS A 12 18.497 4.348 12.832 1.00 0.00 C ATOM 171 SG CYS A 12 19.136 5.796 13.704 1.00 0.00 S ATOM 0 H CYS A 12 20.725 4.788 11.944 1.00 0.00 H new ATOM 0 HA CYS A 12 19.695 2.738 13.615 1.00 0.00 H new ATOM 0 HB2 CYS A 12 18.138 4.656 11.850 1.00 0.00 H new ATOM 0 HB3 CYS A 12 17.638 3.957 13.377 1.00 0.00 H new ATOM 0 HG CYS A 12 18.198 6.691 13.804 1.00 0.00 H new ATOM 177 N PRO A 13 18.322 1.140 12.148 1.00 0.00 N ATOM 178 CA PRO A 13 17.787 0.071 11.290 1.00 0.00 C ATOM 179 C PRO A 13 16.899 0.608 10.165 1.00 0.00 C ATOM 180 O PRO A 13 16.787 0.000 9.101 1.00 0.00 O ATOM 181 CB PRO A 13 16.965 -0.801 12.253 1.00 0.00 C ATOM 182 CG PRO A 13 16.812 0.010 13.497 1.00 0.00 C ATOM 183 CD PRO A 13 18.020 0.896 13.566 1.00 0.00 C ATOM 0 HA PRO A 13 18.586 -0.472 10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.994 -1.049 11.825 1.00 0.00 H new ATOM 0 HB3 PRO A 13 17.473 -1.743 12.459 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.896 0.601 13.467 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.749 -0.632 14.376 1.00 0.00 H new ATOM 0 HD2 PRO A 13 17.813 1.823 14.101 1.00 0.00 H new ATOM 0 HD3 PRO A 13 18.850 0.410 14.079 1.00 0.00 H new ATOM 191 N VAL A 14 16.284 1.762 10.404 1.00 0.00 N ATOM 192 CA VAL A 14 15.408 2.386 9.421 1.00 0.00 C ATOM 193 C VAL A 14 16.206 2.927 8.236 1.00 0.00 C ATOM 194 O VAL A 14 15.846 2.707 7.077 1.00 0.00 O ATOM 195 CB VAL A 14 14.591 3.537 10.051 1.00 0.00 C ATOM 196 CG1 VAL A 14 13.635 4.146 9.033 1.00 0.00 C ATOM 197 CG2 VAL A 14 13.831 3.049 11.275 1.00 0.00 C ATOM 0 H VAL A 14 16.378 2.285 11.275 1.00 0.00 H new ATOM 0 HA VAL A 14 14.723 1.615 9.068 1.00 0.00 H new ATOM 0 HB VAL A 14 15.288 4.313 10.367 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.072 4.954 9.501 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.203 4.540 8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.945 3.380 8.678 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.263 3.875 11.703 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.148 2.250 10.985 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.537 2.672 12.015 1.00 0.00 H new ATOM 207 N CYS A 15 17.309 3.609 8.523 1.00 0.00 N ATOM 208 CA CYS A 15 18.085 4.255 7.474 1.00 0.00 C ATOM 209 C CYS A 15 18.994 3.260 6.763 1.00 0.00 C ATOM 210 O CYS A 15 19.482 3.537 5.668 1.00 0.00 O ATOM 211 CB CYS A 15 18.895 5.422 8.038 1.00 0.00 C ATOM 212 SG CYS A 15 19.966 4.997 9.425 1.00 0.00 S ATOM 0 H CYS A 15 17.683 3.728 9.465 1.00 0.00 H new ATOM 0 HA CYS A 15 17.384 4.649 6.738 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.507 5.841 7.239 1.00 0.00 H new ATOM 0 HB3 CYS A 15 18.206 6.205 8.355 1.00 0.00 H new ATOM 0 HG CYS A 15 21.199 4.937 9.018 1.00 0.00 H new ATOM 218 N VAL A 16 19.212 2.101 7.379 1.00 0.00 N ATOM 219 CA VAL A 16 19.986 1.038 6.744 1.00 0.00 C ATOM 220 C VAL A 16 19.337 0.630 5.424 1.00 0.00 C ATOM 221 O VAL A 16 20.009 0.518 4.399 1.00 0.00 O ATOM 222 CB VAL A 16 20.124 -0.204 7.658 1.00 0.00 C ATOM 223 CG1 VAL A 16 20.848 -1.333 6.938 1.00 0.00 C ATOM 224 CG2 VAL A 16 20.859 0.156 8.941 1.00 0.00 C ATOM 0 H VAL A 16 18.866 1.875 8.311 1.00 0.00 H new ATOM 0 HA VAL A 16 20.985 1.432 6.559 1.00 0.00 H new ATOM 0 HB VAL A 16 19.121 -0.547 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.932 -2.193 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.287 -1.615 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 16 21.845 -1.000 6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.946 -0.729 9.571 1.00 0.00 H new ATOM 0 HG22 VAL A 16 21.854 0.528 8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.303 0.927 9.474 1.00 0.00 H new ATOM 234 N SER A 17 18.021 0.445 5.449 1.00 0.00 N ATOM 235 CA SER A 17 17.272 0.087 4.251 1.00 0.00 C ATOM 236 C SER A 17 17.390 1.184 3.189 1.00 0.00 C ATOM 237 O SER A 17 17.420 0.906 1.990 1.00 0.00 O ATOM 238 CB SER A 17 15.804 -0.143 4.608 1.00 0.00 C ATOM 239 OG SER A 17 15.680 -1.071 5.675 1.00 0.00 O ATOM 0 H SER A 17 17.450 0.538 6.289 1.00 0.00 H new ATOM 0 HA SER A 17 17.691 -0.832 3.841 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.342 0.803 4.889 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.267 -0.513 3.735 1.00 0.00 H new ATOM 0 HG SER A 17 14.732 -1.201 5.887 1.00 0.00 H new ATOM 245 N ALA A 18 17.476 2.429 3.641 1.00 0.00 N ATOM 246 CA ALA A 18 17.594 3.564 2.737 1.00 0.00 C ATOM 247 C ALA A 18 18.986 3.615 2.112 1.00 0.00 C ATOM 248 O ALA A 18 19.134 3.922 0.929 1.00 0.00 O ATOM 249 CB ALA A 18 17.290 4.861 3.473 1.00 0.00 C ATOM 0 H ALA A 18 17.466 2.678 4.630 1.00 0.00 H new ATOM 0 HA ALA A 18 16.866 3.442 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.382 5.701 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.275 4.826 3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.995 4.987 4.295 1.00 0.00 H new ATOM 255 N GLU A 19 19.997 3.297 2.912 1.00 0.00 N ATOM 256 CA GLU A 19 21.375 3.266 2.440 1.00 0.00 C ATOM 257 C GLU A 19 21.562 2.123 1.440 1.00 0.00 C ATOM 258 O GLU A 19 22.455 2.156 0.594 1.00 0.00 O ATOM 259 CB GLU A 19 22.330 3.104 3.628 1.00 0.00 C ATOM 260 CG GLU A 19 23.798 3.287 3.271 1.00 0.00 C ATOM 261 CD GLU A 19 24.718 3.068 4.455 1.00 0.00 C ATOM 262 OE1 GLU A 19 25.039 1.897 4.751 1.00 0.00 O ATOM 263 OE2 GLU A 19 25.132 4.062 5.091 1.00 0.00 O ATOM 0 H GLU A 19 19.886 3.056 3.897 1.00 0.00 H new ATOM 0 HA GLU A 19 21.602 4.206 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.061 3.827 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 19 22.192 2.112 4.059 1.00 0.00 H new ATOM 0 HG2 GLU A 19 24.064 2.591 2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.950 4.293 2.879 1.00 0.00 H new ATOM 270 N GLN A 20 20.706 1.119 1.540 1.00 0.00 N ATOM 271 CA GLN A 20 20.733 -0.003 0.614 1.00 0.00 C ATOM 272 C GLN A 20 19.975 0.330 -0.668 1.00 0.00 C ATOM 273 O GLN A 20 20.537 0.278 -1.758 1.00 0.00 O ATOM 274 CB GLN A 20 20.130 -1.244 1.269 1.00 0.00 C ATOM 275 CG GLN A 20 20.935 -1.760 2.448 1.00 0.00 C ATOM 276 CD GLN A 20 20.213 -2.852 3.208 1.00 0.00 C ATOM 277 OE1 GLN A 20 18.983 -2.868 3.279 1.00 0.00 O ATOM 278 NE2 GLN A 20 20.970 -3.773 3.780 1.00 0.00 N ATOM 0 H GLN A 20 19.981 1.058 2.255 1.00 0.00 H new ATOM 0 HA GLN A 20 21.773 -0.205 0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.119 -1.013 1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.046 -2.034 0.523 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.892 -2.141 2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.153 -0.934 3.125 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.985 -3.722 3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 20 20.539 -4.534 4.305 1.00 0.00 H new ATOM 287 N ALA A 21 18.706 0.687 -0.531 1.00 0.00 N ATOM 288 CA ALA A 21 17.855 0.920 -1.688 1.00 0.00 C ATOM 289 C ALA A 21 18.105 2.287 -2.320 1.00 0.00 C ATOM 290 O ALA A 21 18.621 2.379 -3.434 1.00 0.00 O ATOM 291 CB ALA A 21 16.392 0.778 -1.299 1.00 0.00 C ATOM 0 H ALA A 21 18.244 0.821 0.368 1.00 0.00 H new ATOM 0 HA ALA A 21 18.106 0.167 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.764 0.954 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.212 -0.228 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.149 1.506 -0.525 1.00 0.00 H new ATOM 297 N VAL A 22 17.766 3.348 -1.595 1.00 0.00 N ATOM 298 CA VAL A 22 17.814 4.701 -2.145 1.00 0.00 C ATOM 299 C VAL A 22 19.244 5.111 -2.496 1.00 0.00 C ATOM 300 O VAL A 22 19.488 5.718 -3.538 1.00 0.00 O ATOM 301 CB VAL A 22 17.213 5.736 -1.167 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.099 7.104 -1.827 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.855 5.274 -0.660 1.00 0.00 C ATOM 0 H VAL A 22 17.455 3.299 -0.625 1.00 0.00 H new ATOM 0 HA VAL A 22 17.214 4.687 -3.055 1.00 0.00 H new ATOM 0 HB VAL A 22 17.886 5.823 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.673 7.815 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 22 18.088 7.444 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.453 7.033 -2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.451 6.018 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.175 5.151 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.965 4.322 -0.140 1.00 0.00 H new ATOM 313 N ALA A 23 20.193 4.743 -1.643 1.00 0.00 N ATOM 314 CA ALA A 23 21.588 5.123 -1.846 1.00 0.00 C ATOM 315 C ALA A 23 22.262 4.269 -2.923 1.00 0.00 C ATOM 316 O ALA A 23 23.456 4.419 -3.184 1.00 0.00 O ATOM 317 CB ALA A 23 22.358 5.042 -0.538 1.00 0.00 C ATOM 0 H ALA A 23 20.024 4.184 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 23 21.598 6.155 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.396 5.329 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.910 5.718 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.321 4.021 -0.157 1.00 0.00 H new ATOM 323 N ASN A 24 21.509 3.355 -3.525 1.00 0.00 N ATOM 324 CA ASN A 24 21.990 2.628 -4.699 1.00 0.00 C ATOM 325 C ASN A 24 21.150 2.976 -5.919 1.00 0.00 C ATOM 326 O ASN A 24 21.477 2.600 -7.044 1.00 0.00 O ATOM 327 CB ASN A 24 21.994 1.114 -4.472 1.00 0.00 C ATOM 328 CG ASN A 24 23.249 0.639 -3.764 1.00 0.00 C ATOM 329 OD1 ASN A 24 24.274 0.387 -4.401 1.00 0.00 O ATOM 330 ND2 ASN A 24 23.176 0.490 -2.452 1.00 0.00 N ATOM 0 H ASN A 24 20.569 3.099 -3.224 1.00 0.00 H new ATOM 0 HA ASN A 24 23.021 2.937 -4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 24 21.120 0.835 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 24 21.907 0.605 -5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 24 23.987 0.156 -1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 24 22.309 0.709 -1.961 1.00 0.00 H new ATOM 337 N ALA A 25 20.055 3.687 -5.686 1.00 0.00 N ATOM 338 CA ALA A 25 19.246 4.218 -6.770 1.00 0.00 C ATOM 339 C ALA A 25 19.885 5.495 -7.290 1.00 0.00 C ATOM 340 O ALA A 25 19.806 5.816 -8.475 1.00 0.00 O ATOM 341 CB ALA A 25 17.823 4.476 -6.298 1.00 0.00 C ATOM 0 H ALA A 25 19.708 3.909 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 25 19.199 3.488 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.232 4.873 -7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.380 3.543 -5.951 1.00 0.00 H new ATOM 0 HB3 ALA A 25 17.836 5.197 -5.481 1.00 0.00 H new ATOM 347 N ILE A 26 20.520 6.215 -6.377 1.00 0.00 N ATOM 348 CA ILE A 26 21.314 7.380 -6.721 1.00 0.00 C ATOM 349 C ILE A 26 22.791 7.017 -6.613 1.00 0.00 C ATOM 350 O ILE A 26 23.340 6.938 -5.515 1.00 0.00 O ATOM 351 CB ILE A 26 21.006 8.571 -5.790 1.00 0.00 C ATOM 352 CG1 ILE A 26 19.505 8.878 -5.798 1.00 0.00 C ATOM 353 CG2 ILE A 26 21.805 9.798 -6.210 1.00 0.00 C ATOM 354 CD1 ILE A 26 19.096 9.950 -4.811 1.00 0.00 C ATOM 0 H ILE A 26 20.498 6.007 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 26 21.066 7.680 -7.739 1.00 0.00 H new ATOM 0 HB ILE A 26 21.299 8.303 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.213 9.190 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 26 18.955 7.963 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 26 21.575 10.628 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 26 22.870 9.574 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 26 21.542 10.071 -7.232 1.00 0.00 H new ATOM 0 HD11 ILE A 26 18.020 10.112 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 26 19.356 9.633 -3.801 1.00 0.00 H new ATOM 0 HD13 ILE A 26 19.617 10.878 -5.045 1.00 0.00 H new ATOM 366 N ASP A 27 23.421 6.762 -7.749 1.00 0.00 N ATOM 367 CA ASP A 27 24.794 6.281 -7.759 1.00 0.00 C ATOM 368 C ASP A 27 25.761 7.392 -8.184 1.00 0.00 C ATOM 369 O ASP A 27 25.338 8.418 -8.728 1.00 0.00 O ATOM 370 CB ASP A 27 24.917 5.064 -8.683 1.00 0.00 C ATOM 371 CG ASP A 27 24.973 5.437 -10.146 1.00 0.00 C ATOM 372 OD1 ASP A 27 23.905 5.578 -10.772 1.00 0.00 O ATOM 373 OD2 ASP A 27 26.094 5.561 -10.677 1.00 0.00 O ATOM 0 H ASP A 27 23.006 6.879 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 27 25.064 5.978 -6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 27 25.816 4.505 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 27 24.069 4.400 -8.515 1.00 0.00 H new ATOM 378 N PRO A 28 27.077 7.197 -7.940 1.00 0.00 N ATOM 379 CA PRO A 28 28.109 8.224 -8.169 1.00 0.00 C ATOM 380 C PRO A 28 28.260 8.674 -9.626 1.00 0.00 C ATOM 381 O PRO A 28 28.981 9.637 -9.897 1.00 0.00 O ATOM 382 CB PRO A 28 29.406 7.554 -7.695 1.00 0.00 C ATOM 383 CG PRO A 28 28.969 6.437 -6.818 1.00 0.00 C ATOM 384 CD PRO A 28 27.668 5.963 -7.389 1.00 0.00 C ATOM 0 HA PRO A 28 27.844 9.139 -7.639 1.00 0.00 H new ATOM 0 HB2 PRO A 28 29.991 7.187 -8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 28 30.037 8.258 -7.152 1.00 0.00 H new ATOM 0 HG2 PRO A 28 29.707 5.635 -6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 28 28.846 6.772 -5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 28 27.817 5.208 -8.161 1.00 0.00 H new ATOM 0 HD3 PRO A 28 27.031 5.517 -6.625 1.00 0.00 H new ATOM 392 N SER A 29 27.603 7.996 -10.562 1.00 0.00 N ATOM 393 CA SER A 29 27.657 8.410 -11.962 1.00 0.00 C ATOM 394 C SER A 29 26.799 9.651 -12.173 1.00 0.00 C ATOM 395 O SER A 29 27.004 10.419 -13.117 1.00 0.00 O ATOM 396 CB SER A 29 27.175 7.286 -12.881 1.00 0.00 C ATOM 397 OG SER A 29 27.823 6.063 -12.576 1.00 0.00 O ATOM 0 H SER A 29 27.034 7.169 -10.382 1.00 0.00 H new ATOM 0 HA SER A 29 28.693 8.640 -12.210 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.097 7.165 -12.778 1.00 0.00 H new ATOM 0 HB3 SER A 29 27.368 7.554 -13.920 1.00 0.00 H new ATOM 0 HG SER A 29 27.236 5.512 -12.018 1.00 0.00 H new ATOM 403 N LYS A 30 25.838 9.847 -11.283 1.00 0.00 N ATOM 404 CA LYS A 30 24.941 10.983 -11.375 1.00 0.00 C ATOM 405 C LYS A 30 25.205 11.975 -10.249 1.00 0.00 C ATOM 406 O LYS A 30 25.297 13.178 -10.480 1.00 0.00 O ATOM 407 CB LYS A 30 23.484 10.517 -11.338 1.00 0.00 C ATOM 408 CG LYS A 30 23.125 9.558 -12.462 1.00 0.00 C ATOM 409 CD LYS A 30 21.643 9.223 -12.458 1.00 0.00 C ATOM 410 CE LYS A 30 20.791 10.448 -12.761 1.00 0.00 C ATOM 411 NZ LYS A 30 20.968 10.924 -14.160 1.00 0.00 N ATOM 0 H LYS A 30 25.661 9.232 -10.489 1.00 0.00 H new ATOM 0 HA LYS A 30 25.125 11.485 -12.325 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.290 10.032 -10.381 1.00 0.00 H new ATOM 0 HB3 LYS A 30 22.831 11.388 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.396 10.001 -13.420 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.706 8.642 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.443 8.448 -13.197 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.364 8.816 -11.486 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.741 10.210 -12.590 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.052 11.250 -12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.320 11.717 -14.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.949 11.241 -14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 20.759 10.148 -14.820 1.00 0.00 H new ATOM 425 N TYR A 31 25.331 11.468 -9.031 1.00 0.00 N ATOM 426 CA TYR A 31 25.566 12.318 -7.873 1.00 0.00 C ATOM 427 C TYR A 31 26.673 11.737 -7.007 1.00 0.00 C ATOM 428 O TYR A 31 26.783 10.523 -6.861 1.00 0.00 O ATOM 429 CB TYR A 31 24.286 12.470 -7.043 1.00 0.00 C ATOM 430 CG TYR A 31 23.174 13.216 -7.751 1.00 0.00 C ATOM 431 CD1 TYR A 31 22.257 12.544 -8.551 1.00 0.00 C ATOM 432 CD2 TYR A 31 23.040 14.590 -7.616 1.00 0.00 C ATOM 433 CE1 TYR A 31 21.242 13.222 -9.195 1.00 0.00 C ATOM 434 CE2 TYR A 31 22.026 15.276 -8.258 1.00 0.00 C ATOM 435 CZ TYR A 31 21.130 14.587 -9.047 1.00 0.00 C ATOM 436 OH TYR A 31 20.117 15.264 -9.685 1.00 0.00 O ATOM 0 H TYR A 31 25.274 10.472 -8.819 1.00 0.00 H new ATOM 0 HA TYR A 31 25.871 13.302 -8.231 1.00 0.00 H new ATOM 0 HB2 TYR A 31 23.925 11.479 -6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.526 12.992 -6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.340 11.474 -8.671 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.740 15.133 -6.999 1.00 0.00 H new ATOM 0 HE1 TYR A 31 20.538 12.684 -9.813 1.00 0.00 H new ATOM 0 HE2 TYR A 31 21.936 16.346 -8.142 1.00 0.00 H new ATOM 0 HH TYR A 31 20.179 16.219 -9.475 1.00 0.00 H new ATOM 446 N THR A 32 27.492 12.604 -6.439 1.00 0.00 N ATOM 447 CA THR A 32 28.559 12.168 -5.561 1.00 0.00 C ATOM 448 C THR A 32 28.014 11.973 -4.148 1.00 0.00 C ATOM 449 O THR A 32 27.962 12.914 -3.357 1.00 0.00 O ATOM 450 CB THR A 32 29.716 13.187 -5.546 1.00 0.00 C ATOM 451 OG1 THR A 32 30.045 13.563 -6.893 1.00 0.00 O ATOM 452 CG2 THR A 32 30.947 12.605 -4.867 1.00 0.00 C ATOM 0 H THR A 32 27.437 13.614 -6.571 1.00 0.00 H new ATOM 0 HA THR A 32 28.948 11.221 -5.935 1.00 0.00 H new ATOM 0 HB THR A 32 29.393 14.064 -4.984 1.00 0.00 H new ATOM 0 HG1 THR A 32 30.779 14.212 -6.881 1.00 0.00 H new ATOM 0 HG21 THR A 32 31.748 13.344 -4.870 1.00 0.00 H new ATOM 0 HG22 THR A 32 30.703 12.338 -3.839 1.00 0.00 H new ATOM 0 HG23 THR A 32 31.273 11.715 -5.405 1.00 0.00 H new ATOM 460 N VAL A 33 27.573 10.758 -3.853 1.00 0.00 N ATOM 461 CA VAL A 33 26.921 10.465 -2.584 1.00 0.00 C ATOM 462 C VAL A 33 27.938 10.261 -1.465 1.00 0.00 C ATOM 463 O VAL A 33 28.683 9.278 -1.457 1.00 0.00 O ATOM 464 CB VAL A 33 26.018 9.217 -2.689 1.00 0.00 C ATOM 465 CG1 VAL A 33 25.280 8.972 -1.381 1.00 0.00 C ATOM 466 CG2 VAL A 33 25.034 9.362 -3.842 1.00 0.00 C ATOM 0 H VAL A 33 27.655 9.956 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 33 26.303 11.330 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 33 26.653 8.354 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.650 8.088 -1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 33 26.002 8.816 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.658 9.836 -1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.407 8.472 -3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.407 10.238 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 33 25.583 9.480 -4.776 1.00 0.00 H new ATOM 476 N GLU A 34 27.970 11.201 -0.534 1.00 0.00 N ATOM 477 CA GLU A 34 28.831 11.099 0.631 1.00 0.00 C ATOM 478 C GLU A 34 28.011 10.769 1.873 1.00 0.00 C ATOM 479 O GLU A 34 27.118 11.525 2.264 1.00 0.00 O ATOM 480 CB GLU A 34 29.613 12.396 0.839 1.00 0.00 C ATOM 481 CG GLU A 34 30.640 12.662 -0.251 1.00 0.00 C ATOM 482 CD GLU A 34 31.402 13.952 -0.035 1.00 0.00 C ATOM 483 OE1 GLU A 34 32.244 14.006 0.887 1.00 0.00 O ATOM 484 OE2 GLU A 34 31.160 14.920 -0.784 1.00 0.00 O ATOM 0 H GLU A 34 27.404 12.049 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 34 29.543 10.292 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 34 28.913 13.231 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 34 30.119 12.356 1.803 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.345 11.831 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.137 12.700 -1.217 1.00 0.00 H new ATOM 491 N ILE A 35 28.304 9.624 2.471 1.00 0.00 N ATOM 492 CA ILE A 35 27.609 9.181 3.670 1.00 0.00 C ATOM 493 C ILE A 35 28.181 9.877 4.903 1.00 0.00 C ATOM 494 O ILE A 35 29.398 9.887 5.111 1.00 0.00 O ATOM 495 CB ILE A 35 27.723 7.649 3.859 1.00 0.00 C ATOM 496 CG1 ILE A 35 27.290 6.907 2.587 1.00 0.00 C ATOM 497 CG2 ILE A 35 26.889 7.192 5.050 1.00 0.00 C ATOM 498 CD1 ILE A 35 25.845 7.135 2.198 1.00 0.00 C ATOM 0 H ILE A 35 29.024 8.981 2.142 1.00 0.00 H new ATOM 0 HA ILE A 35 26.557 9.442 3.550 1.00 0.00 H new ATOM 0 HB ILE A 35 28.768 7.410 4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 35 27.930 7.219 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 35 27.452 5.839 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.982 6.112 5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 35 27.244 7.686 5.954 1.00 0.00 H new ATOM 0 HG23 ILE A 35 25.843 7.450 4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 35 25.620 6.576 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 35 25.194 6.796 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.679 8.198 2.020 1.00 0.00 H new ATOM 510 N VAL A 36 27.308 10.463 5.708 1.00 0.00 N ATOM 511 CA VAL A 36 27.726 11.125 6.932 1.00 0.00 C ATOM 512 C VAL A 36 27.044 10.489 8.139 1.00 0.00 C ATOM 513 O VAL A 36 25.829 10.598 8.316 1.00 0.00 O ATOM 514 CB VAL A 36 27.425 12.640 6.904 1.00 0.00 C ATOM 515 CG1 VAL A 36 27.913 13.310 8.181 1.00 0.00 C ATOM 516 CG2 VAL A 36 28.062 13.289 5.684 1.00 0.00 C ATOM 0 H VAL A 36 26.303 10.493 5.534 1.00 0.00 H new ATOM 0 HA VAL A 36 28.806 10.999 7.012 1.00 0.00 H new ATOM 0 HB VAL A 36 26.345 12.772 6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 36 27.691 14.376 8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.409 12.867 9.040 1.00 0.00 H new ATOM 0 HG13 VAL A 36 28.989 13.167 8.279 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.839 14.356 5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.142 13.144 5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.662 12.833 4.779 1.00 0.00 H new ATOM 526 N HIS A 37 27.838 9.811 8.952 1.00 0.00 N ATOM 527 CA HIS A 37 27.334 9.127 10.132 1.00 0.00 C ATOM 528 C HIS A 37 27.328 10.077 11.327 1.00 0.00 C ATOM 529 O HIS A 37 28.378 10.554 11.763 1.00 0.00 O ATOM 530 CB HIS A 37 28.200 7.899 10.427 1.00 0.00 C ATOM 531 CG HIS A 37 27.620 6.969 11.447 1.00 0.00 C ATOM 532 ND1 HIS A 37 28.087 6.938 12.739 1.00 0.00 N ATOM 533 CD2 HIS A 37 26.643 6.041 11.309 1.00 0.00 C ATOM 534 CE1 HIS A 37 27.391 5.995 13.352 1.00 0.00 C ATOM 535 NE2 HIS A 37 26.504 5.425 12.526 1.00 0.00 N ATOM 0 H HIS A 37 28.844 9.719 8.814 1.00 0.00 H new ATOM 0 HA HIS A 37 26.311 8.799 9.947 1.00 0.00 H new ATOM 0 HB2 HIS A 37 28.359 7.349 9.499 1.00 0.00 H new ATOM 0 HB3 HIS A 37 29.179 8.233 10.771 1.00 0.00 H new ATOM 0 HD2 HIS A 37 26.081 5.827 10.412 1.00 0.00 H new ATOM 0 HE1 HIS A 37 27.521 5.719 14.388 1.00 0.00 H new ATOM 0 HE2 HIS A 37 25.851 4.677 12.758 1.00 0.00 H new ATOM 543 N LEU A 38 26.140 10.350 11.850 1.00 0.00 N ATOM 544 CA LEU A 38 25.984 11.286 12.959 1.00 0.00 C ATOM 545 C LEU A 38 26.036 10.563 14.302 1.00 0.00 C ATOM 546 O LEU A 38 25.902 11.181 15.357 1.00 0.00 O ATOM 547 CB LEU A 38 24.655 12.040 12.829 1.00 0.00 C ATOM 548 CG LEU A 38 24.456 12.794 11.512 1.00 0.00 C ATOM 549 CD1 LEU A 38 23.091 13.464 11.485 1.00 0.00 C ATOM 550 CD2 LEU A 38 25.555 13.824 11.310 1.00 0.00 C ATOM 0 H LEU A 38 25.267 9.936 11.524 1.00 0.00 H new ATOM 0 HA LEU A 38 26.810 11.996 12.919 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.839 11.327 12.947 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.578 12.752 13.651 1.00 0.00 H new ATOM 0 HG LEU A 38 24.507 12.074 10.695 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.965 13.996 10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 38 22.312 12.707 11.581 1.00 0.00 H new ATOM 0 HD13 LEU A 38 23.016 14.170 12.312 1.00 0.00 H new ATOM 0 HD21 LEU A 38 25.394 14.348 10.368 1.00 0.00 H new ATOM 0 HD22 LEU A 38 25.538 14.540 12.131 1.00 0.00 H new ATOM 0 HD23 LEU A 38 26.523 13.323 11.286 1.00 0.00 H new ATOM 562 N GLY A 39 26.235 9.252 14.257 1.00 0.00 N ATOM 563 CA GLY A 39 26.249 8.466 15.475 1.00 0.00 C ATOM 564 C GLY A 39 27.568 8.566 16.213 1.00 0.00 C ATOM 565 O GLY A 39 27.604 8.936 17.388 1.00 0.00 O ATOM 0 H GLY A 39 26.387 8.720 13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.444 8.801 16.129 1.00 0.00 H new ATOM 0 HA3 GLY A 39 26.050 7.422 15.233 1.00 0.00 H new ATOM 569 N THR A 40 28.653 8.238 15.524 1.00 0.00 N ATOM 570 CA THR A 40 29.977 8.267 16.127 1.00 0.00 C ATOM 571 C THR A 40 30.431 9.705 16.368 1.00 0.00 C ATOM 572 O THR A 40 31.003 10.018 17.412 1.00 0.00 O ATOM 573 CB THR A 40 31.002 7.535 15.239 1.00 0.00 C ATOM 574 OG1 THR A 40 30.505 6.229 14.914 1.00 0.00 O ATOM 575 CG2 THR A 40 32.348 7.405 15.938 1.00 0.00 C ATOM 0 H THR A 40 28.641 7.949 14.546 1.00 0.00 H new ATOM 0 HA THR A 40 29.917 7.753 17.086 1.00 0.00 H new ATOM 0 HB THR A 40 31.145 8.120 14.330 1.00 0.00 H new ATOM 0 HG1 THR A 40 31.155 5.763 14.348 1.00 0.00 H new ATOM 0 HG21 THR A 40 33.048 6.884 15.285 1.00 0.00 H new ATOM 0 HG22 THR A 40 32.736 8.397 16.168 1.00 0.00 H new ATOM 0 HG23 THR A 40 32.225 6.840 16.862 1.00 0.00 H new ATOM 583 N ASP A 41 30.151 10.579 15.413 1.00 0.00 N ATOM 584 CA ASP A 41 30.511 11.981 15.549 1.00 0.00 C ATOM 585 C ASP A 41 29.259 12.801 15.830 1.00 0.00 C ATOM 586 O ASP A 41 28.518 13.162 14.914 1.00 0.00 O ATOM 587 CB ASP A 41 31.205 12.491 14.287 1.00 0.00 C ATOM 588 CG ASP A 41 31.982 13.773 14.525 1.00 0.00 C ATOM 589 OD1 ASP A 41 31.502 14.647 15.278 1.00 0.00 O ATOM 590 OD2 ASP A 41 33.089 13.906 13.961 1.00 0.00 O ATOM 0 H ASP A 41 29.678 10.344 14.540 1.00 0.00 H new ATOM 0 HA ASP A 41 31.208 12.085 16.381 1.00 0.00 H new ATOM 0 HB2 ASP A 41 31.883 11.723 13.915 1.00 0.00 H new ATOM 0 HB3 ASP A 41 30.459 12.661 13.510 1.00 0.00 H new ATOM 595 N LYS A 42 29.029 13.083 17.103 1.00 0.00 N ATOM 596 CA LYS A 42 27.806 13.751 17.534 1.00 0.00 C ATOM 597 C LYS A 42 27.923 15.263 17.399 1.00 0.00 C ATOM 598 O LYS A 42 26.947 15.990 17.579 1.00 0.00 O ATOM 599 CB LYS A 42 27.482 13.365 18.979 1.00 0.00 C ATOM 600 CG LYS A 42 27.221 11.879 19.151 1.00 0.00 C ATOM 601 CD LYS A 42 27.053 11.500 20.614 1.00 0.00 C ATOM 602 CE LYS A 42 26.879 9.998 20.779 1.00 0.00 C ATOM 603 NZ LYS A 42 27.983 9.244 20.126 1.00 0.00 N ATOM 0 H LYS A 42 29.675 12.859 17.860 1.00 0.00 H new ATOM 0 HA LYS A 42 26.993 13.424 16.886 1.00 0.00 H new ATOM 0 HB2 LYS A 42 28.311 13.660 19.623 1.00 0.00 H new ATOM 0 HB3 LYS A 42 26.606 13.923 19.311 1.00 0.00 H new ATOM 0 HG2 LYS A 42 26.323 11.601 18.598 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.048 11.313 18.722 1.00 0.00 H new ATOM 0 HD2 LYS A 42 27.923 11.832 21.180 1.00 0.00 H new ATOM 0 HD3 LYS A 42 26.187 12.016 21.029 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.845 9.749 21.840 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.925 9.692 20.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 28.022 8.280 20.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 27.813 9.198 19.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 28.887 9.726 20.306 1.00 0.00 H new ATOM 617 N ALA A 43 29.116 15.736 17.072 1.00 0.00 N ATOM 618 CA ALA A 43 29.328 17.155 16.846 1.00 0.00 C ATOM 619 C ALA A 43 28.766 17.551 15.491 1.00 0.00 C ATOM 620 O ALA A 43 28.411 18.707 15.259 1.00 0.00 O ATOM 621 CB ALA A 43 30.805 17.497 16.940 1.00 0.00 C ATOM 0 H ALA A 43 29.949 15.159 16.958 1.00 0.00 H new ATOM 0 HA ALA A 43 28.805 17.718 17.619 1.00 0.00 H new ATOM 0 HB1 ALA A 43 30.943 18.564 16.768 1.00 0.00 H new ATOM 0 HB2 ALA A 43 31.176 17.239 17.932 1.00 0.00 H new ATOM 0 HB3 ALA A 43 31.357 16.934 16.188 1.00 0.00 H new ATOM 627 N ARG A 44 28.653 16.567 14.606 1.00 0.00 N ATOM 628 CA ARG A 44 28.114 16.789 13.272 1.00 0.00 C ATOM 629 C ARG A 44 26.606 16.990 13.326 1.00 0.00 C ATOM 630 O ARG A 44 25.988 17.377 12.336 1.00 0.00 O ATOM 631 CB ARG A 44 28.463 15.622 12.353 1.00 0.00 C ATOM 632 CG ARG A 44 29.955 15.456 12.151 1.00 0.00 C ATOM 633 CD ARG A 44 30.277 14.290 11.236 1.00 0.00 C ATOM 634 NE ARG A 44 31.719 14.140 11.063 1.00 0.00 N ATOM 635 CZ ARG A 44 32.291 13.349 10.161 1.00 0.00 C ATOM 636 NH1 ARG A 44 31.552 12.582 9.368 1.00 0.00 N ATOM 637 NH2 ARG A 44 33.612 13.319 10.069 1.00 0.00 N ATOM 0 H ARG A 44 28.930 15.603 14.791 1.00 0.00 H new ATOM 0 HA ARG A 44 28.566 17.695 12.869 1.00 0.00 H new ATOM 0 HB2 ARG A 44 28.054 14.702 12.771 1.00 0.00 H new ATOM 0 HB3 ARG A 44 27.985 15.773 11.385 1.00 0.00 H new ATOM 0 HG2 ARG A 44 30.368 16.372 11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 44 30.437 15.303 13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 44 29.860 13.372 11.651 1.00 0.00 H new ATOM 0 HD3 ARG A 44 29.805 14.444 10.266 1.00 0.00 H new ATOM 0 HE ARG A 44 32.330 14.679 11.677 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.535 12.596 9.448 1.00 0.00 H new ATOM 0 HH12 ARG A 44 32.001 11.979 8.679 1.00 0.00 H new ATOM 0 HH21 ARG A 44 34.180 13.899 10.687 1.00 0.00 H new ATOM 0 HH22 ARG A 44 34.062 12.716 9.380 1.00 0.00 H new ATOM 651 N ILE A 45 26.016 16.728 14.487 1.00 0.00 N ATOM 652 CA ILE A 45 24.604 17.013 14.702 1.00 0.00 C ATOM 653 C ILE A 45 24.375 18.521 14.632 1.00 0.00 C ATOM 654 O ILE A 45 23.333 18.987 14.168 1.00 0.00 O ATOM 655 CB ILE A 45 24.118 16.458 16.063 1.00 0.00 C ATOM 656 CG1 ILE A 45 24.262 14.932 16.089 1.00 0.00 C ATOM 657 CG2 ILE A 45 22.675 16.866 16.335 1.00 0.00 C ATOM 658 CD1 ILE A 45 23.864 14.302 17.408 1.00 0.00 C ATOM 0 H ILE A 45 26.493 16.320 15.291 1.00 0.00 H new ATOM 0 HA ILE A 45 24.027 16.519 13.920 1.00 0.00 H new ATOM 0 HB ILE A 45 24.739 16.884 16.851 1.00 0.00 H new ATOM 0 HG12 ILE A 45 23.650 14.505 15.294 1.00 0.00 H new ATOM 0 HG13 ILE A 45 25.297 14.670 15.870 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.358 16.463 17.297 1.00 0.00 H new ATOM 0 HG22 ILE A 45 22.602 17.953 16.355 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.031 16.473 15.548 1.00 0.00 H new ATOM 0 HD11 ILE A 45 23.993 13.221 17.349 1.00 0.00 H new ATOM 0 HD12 ILE A 45 24.492 14.699 18.205 1.00 0.00 H new ATOM 0 HD13 ILE A 45 22.820 14.531 17.620 1.00 0.00 H new ATOM 670 N ALA A 46 25.382 19.280 15.054 1.00 0.00 N ATOM 671 CA ALA A 46 25.335 20.731 14.961 1.00 0.00 C ATOM 672 C ALA A 46 25.412 21.165 13.504 1.00 0.00 C ATOM 673 O ALA A 46 24.764 22.129 13.093 1.00 0.00 O ATOM 674 CB ALA A 46 26.467 21.354 15.765 1.00 0.00 C ATOM 0 H ALA A 46 26.240 18.911 15.464 1.00 0.00 H new ATOM 0 HA ALA A 46 24.390 21.077 15.378 1.00 0.00 H new ATOM 0 HB1 ALA A 46 26.416 22.440 15.684 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.373 21.063 16.811 1.00 0.00 H new ATOM 0 HB3 ALA A 46 27.424 21.006 15.376 1.00 0.00 H new ATOM 680 N GLU A 47 26.204 20.438 12.722 1.00 0.00 N ATOM 681 CA GLU A 47 26.336 20.706 11.294 1.00 0.00 C ATOM 682 C GLU A 47 25.052 20.323 10.562 1.00 0.00 C ATOM 683 O GLU A 47 24.700 20.920 9.543 1.00 0.00 O ATOM 684 CB GLU A 47 27.526 19.938 10.715 1.00 0.00 C ATOM 685 CG GLU A 47 28.861 20.334 11.327 1.00 0.00 C ATOM 686 CD GLU A 47 30.025 19.550 10.755 1.00 0.00 C ATOM 687 OE1 GLU A 47 30.436 19.837 9.610 1.00 0.00 O ATOM 688 OE2 GLU A 47 30.537 18.646 11.447 1.00 0.00 O ATOM 0 H GLU A 47 26.767 19.655 13.055 1.00 0.00 H new ATOM 0 HA GLU A 47 26.511 21.773 11.156 1.00 0.00 H new ATOM 0 HB2 GLU A 47 27.368 18.870 10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.566 20.104 9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 47 29.030 21.398 11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.821 20.181 12.405 1.00 0.00 H new ATOM 695 N ALA A 48 24.351 19.331 11.099 1.00 0.00 N ATOM 696 CA ALA A 48 23.081 18.897 10.535 1.00 0.00 C ATOM 697 C ALA A 48 22.046 20.014 10.611 1.00 0.00 C ATOM 698 O ALA A 48 21.476 20.408 9.592 1.00 0.00 O ATOM 699 CB ALA A 48 22.579 17.651 11.249 1.00 0.00 C ATOM 0 H ALA A 48 24.643 18.812 11.927 1.00 0.00 H new ATOM 0 HA ALA A 48 23.239 18.652 9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.629 17.341 10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.308 16.849 11.137 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.440 17.870 12.308 1.00 0.00 H new ATOM 705 N GLU A 49 21.822 20.539 11.814 1.00 0.00 N ATOM 706 CA GLU A 49 20.872 21.634 12.004 1.00 0.00 C ATOM 707 C GLU A 49 21.338 22.881 11.269 1.00 0.00 C ATOM 708 O GLU A 49 20.529 23.696 10.829 1.00 0.00 O ATOM 709 CB GLU A 49 20.681 21.946 13.488 1.00 0.00 C ATOM 710 CG GLU A 49 20.108 20.789 14.281 1.00 0.00 C ATOM 711 CD GLU A 49 19.602 21.210 15.641 1.00 0.00 C ATOM 712 OE1 GLU A 49 18.433 21.635 15.735 1.00 0.00 O ATOM 713 OE2 GLU A 49 20.358 21.109 16.629 1.00 0.00 O ATOM 0 H GLU A 49 22.283 20.226 12.668 1.00 0.00 H new ATOM 0 HA GLU A 49 19.914 21.317 11.592 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.642 22.230 13.918 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.020 22.807 13.588 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.292 20.337 13.718 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.874 20.023 14.404 1.00 0.00 H new ATOM 720 N LYS A 50 22.654 23.011 11.137 1.00 0.00 N ATOM 721 CA LYS A 50 23.262 24.112 10.402 1.00 0.00 C ATOM 722 C LYS A 50 22.835 24.078 8.935 1.00 0.00 C ATOM 723 O LYS A 50 22.604 25.117 8.319 1.00 0.00 O ATOM 724 CB LYS A 50 24.785 24.017 10.519 1.00 0.00 C ATOM 725 CG LYS A 50 25.543 25.121 9.808 1.00 0.00 C ATOM 726 CD LYS A 50 27.042 24.937 9.961 1.00 0.00 C ATOM 727 CE LYS A 50 27.822 26.039 9.267 1.00 0.00 C ATOM 728 NZ LYS A 50 27.594 26.047 7.800 1.00 0.00 N ATOM 0 H LYS A 50 23.327 22.357 11.536 1.00 0.00 H new ATOM 0 HA LYS A 50 22.926 25.057 10.828 1.00 0.00 H new ATOM 0 HB2 LYS A 50 25.057 24.029 11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 50 25.108 23.056 10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.280 25.125 8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.248 26.089 10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.300 24.922 11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.333 23.971 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.533 27.004 9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.886 25.911 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 28.279 26.684 7.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 27.715 25.085 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.628 26.378 7.601 1.00 0.00 H new ATOM 742 N ALA A 51 22.721 22.872 8.388 1.00 0.00 N ATOM 743 CA ALA A 51 22.306 22.693 7.003 1.00 0.00 C ATOM 744 C ALA A 51 20.785 22.694 6.879 1.00 0.00 C ATOM 745 O ALA A 51 20.239 23.011 5.823 1.00 0.00 O ATOM 746 CB ALA A 51 22.882 21.401 6.442 1.00 0.00 C ATOM 0 H ALA A 51 22.911 22.002 8.885 1.00 0.00 H new ATOM 0 HA ALA A 51 22.692 23.532 6.424 1.00 0.00 H new ATOM 0 HB1 ALA A 51 22.564 21.280 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 51 23.970 21.439 6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 51 22.525 20.557 7.032 1.00 0.00 H new ATOM 752 N GLY A 52 20.105 22.339 7.963 1.00 0.00 N ATOM 753 CA GLY A 52 18.654 22.325 7.955 1.00 0.00 C ATOM 754 C GLY A 52 18.083 20.946 8.220 1.00 0.00 C ATOM 755 O GLY A 52 16.868 20.751 8.167 1.00 0.00 O ATOM 0 H GLY A 52 20.532 22.061 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.283 23.019 8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.296 22.683 6.990 1.00 0.00 H new ATOM 759 N VAL A 53 18.958 19.993 8.510 1.00 0.00 N ATOM 760 CA VAL A 53 18.539 18.627 8.794 1.00 0.00 C ATOM 761 C VAL A 53 17.819 18.564 10.135 1.00 0.00 C ATOM 762 O VAL A 53 18.417 18.812 11.182 1.00 0.00 O ATOM 763 CB VAL A 53 19.745 17.664 8.808 1.00 0.00 C ATOM 764 CG1 VAL A 53 19.310 16.248 9.157 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.460 17.690 7.466 1.00 0.00 C ATOM 0 H VAL A 53 19.966 20.141 8.555 1.00 0.00 H new ATOM 0 HA VAL A 53 17.858 18.316 8.001 1.00 0.00 H new ATOM 0 HB VAL A 53 20.439 18.000 9.578 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.179 15.591 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.848 16.242 10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.591 15.896 8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.308 17.006 7.492 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.770 17.383 6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.815 18.700 7.262 1.00 0.00 H new ATOM 775 N LYS A 54 16.535 18.248 10.093 1.00 0.00 N ATOM 776 CA LYS A 54 15.720 18.224 11.298 1.00 0.00 C ATOM 777 C LYS A 54 15.283 16.807 11.654 1.00 0.00 C ATOM 778 O LYS A 54 14.762 16.568 12.742 1.00 0.00 O ATOM 779 CB LYS A 54 14.504 19.133 11.122 1.00 0.00 C ATOM 780 CG LYS A 54 14.871 20.604 11.022 1.00 0.00 C ATOM 781 CD LYS A 54 13.673 21.457 10.645 1.00 0.00 C ATOM 782 CE LYS A 54 14.013 22.940 10.660 1.00 0.00 C ATOM 783 NZ LYS A 54 15.178 23.263 9.793 1.00 0.00 N ATOM 0 H LYS A 54 16.034 18.005 9.238 1.00 0.00 H new ATOM 0 HA LYS A 54 16.327 18.594 12.124 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.964 18.837 10.223 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.826 18.990 11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.274 20.944 11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.658 20.733 10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.322 21.174 9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.855 21.264 11.339 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.147 23.512 10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.227 23.251 11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.277 24.295 9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.043 22.863 10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.030 22.857 8.847 1.00 0.00 H new ATOM 797 N SER A 55 15.497 15.869 10.743 1.00 0.00 N ATOM 798 CA SER A 55 15.180 14.471 11.003 1.00 0.00 C ATOM 799 C SER A 55 16.192 13.557 10.318 1.00 0.00 C ATOM 800 O SER A 55 16.889 13.973 9.392 1.00 0.00 O ATOM 801 CB SER A 55 13.765 14.141 10.516 1.00 0.00 C ATOM 802 OG SER A 55 12.797 14.968 11.143 1.00 0.00 O ATOM 0 H SER A 55 15.888 16.049 9.818 1.00 0.00 H new ATOM 0 HA SER A 55 15.229 14.306 12.079 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.711 14.270 9.435 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.542 13.095 10.724 1.00 0.00 H new ATOM 0 HG SER A 55 12.084 14.410 11.519 1.00 0.00 H new ATOM 808 N VAL A 56 16.287 12.327 10.793 1.00 0.00 N ATOM 809 CA VAL A 56 17.127 11.326 10.154 1.00 0.00 C ATOM 810 C VAL A 56 16.286 10.121 9.744 1.00 0.00 C ATOM 811 O VAL A 56 15.320 9.768 10.428 1.00 0.00 O ATOM 812 CB VAL A 56 18.289 10.867 11.068 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.265 12.008 11.311 1.00 0.00 C ATOM 814 CG2 VAL A 56 17.765 10.324 12.390 1.00 0.00 C ATOM 0 H VAL A 56 15.792 11.996 11.621 1.00 0.00 H new ATOM 0 HA VAL A 56 17.566 11.789 9.270 1.00 0.00 H new ATOM 0 HB VAL A 56 18.818 10.062 10.557 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.074 11.664 11.956 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.677 12.343 10.359 1.00 0.00 H new ATOM 0 HG13 VAL A 56 18.744 12.836 11.793 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.603 10.009 13.012 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.203 11.102 12.906 1.00 0.00 H new ATOM 0 HG23 VAL A 56 17.113 9.471 12.200 1.00 0.00 H new ATOM 824 N PRO A 57 16.625 9.479 8.613 1.00 0.00 N ATOM 825 CA PRO A 57 17.748 9.887 7.763 1.00 0.00 C ATOM 826 C PRO A 57 17.403 11.066 6.854 1.00 0.00 C ATOM 827 O PRO A 57 16.235 11.322 6.563 1.00 0.00 O ATOM 828 CB PRO A 57 18.013 8.636 6.930 1.00 0.00 C ATOM 829 CG PRO A 57 16.680 7.982 6.804 1.00 0.00 C ATOM 830 CD PRO A 57 15.929 8.298 8.074 1.00 0.00 C ATOM 0 HA PRO A 57 18.602 10.228 8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.425 8.890 5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.733 7.979 7.418 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.144 8.357 5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.786 6.905 6.673 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.879 8.510 7.875 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.959 7.463 8.774 1.00 0.00 H new ATOM 838 N ALA A 58 18.426 11.770 6.401 1.00 0.00 N ATOM 839 CA ALA A 58 18.232 12.923 5.537 1.00 0.00 C ATOM 840 C ALA A 58 19.077 12.807 4.278 1.00 0.00 C ATOM 841 O ALA A 58 20.301 12.680 4.346 1.00 0.00 O ATOM 842 CB ALA A 58 18.565 14.205 6.284 1.00 0.00 C ATOM 0 H ALA A 58 19.401 11.563 6.617 1.00 0.00 H new ATOM 0 HA ALA A 58 17.184 12.953 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.415 15.060 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.914 14.299 7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.605 14.176 6.610 1.00 0.00 H new ATOM 848 N LEU A 59 18.415 12.836 3.134 1.00 0.00 N ATOM 849 CA LEU A 59 19.093 12.794 1.850 1.00 0.00 C ATOM 850 C LEU A 59 19.190 14.200 1.272 1.00 0.00 C ATOM 851 O LEU A 59 18.187 14.782 0.859 1.00 0.00 O ATOM 852 CB LEU A 59 18.340 11.873 0.885 1.00 0.00 C ATOM 853 CG LEU A 59 18.938 11.762 -0.520 1.00 0.00 C ATOM 854 CD1 LEU A 59 20.329 11.147 -0.468 1.00 0.00 C ATOM 855 CD2 LEU A 59 18.023 10.945 -1.417 1.00 0.00 C ATOM 0 H LEU A 59 17.398 12.889 3.069 1.00 0.00 H new ATOM 0 HA LEU A 59 20.099 12.400 1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.296 10.875 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.313 12.229 0.797 1.00 0.00 H new ATOM 0 HG LEU A 59 19.029 12.765 -0.937 1.00 0.00 H new ATOM 0 HD11 LEU A 59 20.734 11.078 -1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 59 20.981 11.772 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 59 20.270 10.150 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.459 10.873 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 59 17.903 9.945 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.049 11.430 -1.482 1.00 0.00 H new ATOM 867 N VAL A 60 20.391 14.748 1.262 1.00 0.00 N ATOM 868 CA VAL A 60 20.607 16.100 0.777 1.00 0.00 C ATOM 869 C VAL A 60 21.073 16.083 -0.672 1.00 0.00 C ATOM 870 O VAL A 60 22.211 15.716 -0.967 1.00 0.00 O ATOM 871 CB VAL A 60 21.643 16.856 1.637 1.00 0.00 C ATOM 872 CG1 VAL A 60 21.798 18.293 1.157 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.250 16.819 3.105 1.00 0.00 C ATOM 0 H VAL A 60 21.235 14.276 1.585 1.00 0.00 H new ATOM 0 HA VAL A 60 19.652 16.621 0.847 1.00 0.00 H new ATOM 0 HB VAL A 60 22.606 16.356 1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.533 18.807 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.133 18.296 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 60 20.839 18.806 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 60 21.993 17.357 3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.275 17.290 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.200 15.784 3.442 1.00 0.00 H new ATOM 883 N ILE A 61 20.181 16.468 -1.570 1.00 0.00 N ATOM 884 CA ILE A 61 20.505 16.556 -2.982 1.00 0.00 C ATOM 885 C ILE A 61 20.877 17.992 -3.331 1.00 0.00 C ATOM 886 O ILE A 61 20.008 18.864 -3.397 1.00 0.00 O ATOM 887 CB ILE A 61 19.327 16.089 -3.866 1.00 0.00 C ATOM 888 CG1 ILE A 61 18.931 14.654 -3.501 1.00 0.00 C ATOM 889 CG2 ILE A 61 19.699 16.183 -5.342 1.00 0.00 C ATOM 890 CD1 ILE A 61 17.734 14.135 -4.268 1.00 0.00 C ATOM 0 H ILE A 61 19.221 16.726 -1.343 1.00 0.00 H new ATOM 0 HA ILE A 61 21.350 15.896 -3.178 1.00 0.00 H new ATOM 0 HB ILE A 61 18.473 16.742 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.780 13.996 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.715 14.607 -2.434 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.858 15.850 -5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.941 17.216 -5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.564 15.550 -5.540 1.00 0.00 H new ATOM 0 HD11 ILE A 61 17.516 13.114 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 61 16.870 14.769 -4.067 1.00 0.00 H new ATOM 0 HD13 ILE A 61 17.953 14.148 -5.336 1.00 0.00 H new ATOM 902 N ASP A 62 22.176 18.221 -3.524 1.00 0.00 N ATOM 903 CA ASP A 62 22.735 19.550 -3.799 1.00 0.00 C ATOM 904 C ASP A 62 22.557 20.484 -2.606 1.00 0.00 C ATOM 905 O ASP A 62 23.509 20.770 -1.880 1.00 0.00 O ATOM 906 CB ASP A 62 22.120 20.174 -5.057 1.00 0.00 C ATOM 907 CG ASP A 62 22.749 21.511 -5.393 1.00 0.00 C ATOM 908 OD1 ASP A 62 23.877 21.524 -5.924 1.00 0.00 O ATOM 909 OD2 ASP A 62 22.123 22.560 -5.126 1.00 0.00 O ATOM 0 H ASP A 62 22.879 17.483 -3.494 1.00 0.00 H new ATOM 0 HA ASP A 62 23.802 19.415 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP A 62 22.246 19.493 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 62 21.048 20.304 -4.910 1.00 0.00 H new ATOM 914 N GLY A 63 21.337 20.948 -2.408 1.00 0.00 N ATOM 915 CA GLY A 63 21.038 21.814 -1.291 1.00 0.00 C ATOM 916 C GLY A 63 19.655 21.565 -0.732 1.00 0.00 C ATOM 917 O GLY A 63 19.172 22.320 0.110 1.00 0.00 O ATOM 0 H GLY A 63 20.539 20.738 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 63 21.779 21.661 -0.506 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.119 22.854 -1.607 1.00 0.00 H new ATOM 921 N ALA A 64 19.015 20.502 -1.202 1.00 0.00 N ATOM 922 CA ALA A 64 17.677 20.156 -0.753 1.00 0.00 C ATOM 923 C ALA A 64 17.708 18.887 0.089 1.00 0.00 C ATOM 924 O ALA A 64 18.051 17.813 -0.404 1.00 0.00 O ATOM 925 CB ALA A 64 16.749 19.986 -1.946 1.00 0.00 C ATOM 0 H ALA A 64 19.404 19.864 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 64 17.297 20.967 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA A 64 15.750 19.727 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 64 16.706 20.918 -2.509 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.125 19.191 -2.589 1.00 0.00 H new ATOM 931 N ALA A 65 17.364 19.019 1.361 1.00 0.00 N ATOM 932 CA ALA A 65 17.392 17.892 2.280 1.00 0.00 C ATOM 933 C ALA A 65 16.029 17.215 2.360 1.00 0.00 C ATOM 934 O ALA A 65 15.053 17.811 2.819 1.00 0.00 O ATOM 935 CB ALA A 65 17.839 18.348 3.661 1.00 0.00 C ATOM 0 H ALA A 65 17.061 19.898 1.781 1.00 0.00 H new ATOM 0 HA ALA A 65 18.108 17.163 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.855 17.494 4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.838 18.779 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.144 19.098 4.039 1.00 0.00 H new ATOM 941 N PHE A 66 15.966 15.977 1.898 1.00 0.00 N ATOM 942 CA PHE A 66 14.743 15.193 1.964 1.00 0.00 C ATOM 943 C PHE A 66 14.869 14.121 3.036 1.00 0.00 C ATOM 944 O PHE A 66 15.702 13.221 2.932 1.00 0.00 O ATOM 945 CB PHE A 66 14.443 14.546 0.610 1.00 0.00 C ATOM 946 CG PHE A 66 14.229 15.538 -0.495 1.00 0.00 C ATOM 947 CD1 PHE A 66 12.980 16.103 -0.705 1.00 0.00 C ATOM 948 CD2 PHE A 66 15.275 15.905 -1.326 1.00 0.00 C ATOM 949 CE1 PHE A 66 12.781 17.017 -1.721 1.00 0.00 C ATOM 950 CE2 PHE A 66 15.080 16.817 -2.344 1.00 0.00 C ATOM 951 CZ PHE A 66 13.832 17.374 -2.542 1.00 0.00 C ATOM 0 H PHE A 66 16.754 15.490 1.470 1.00 0.00 H new ATOM 0 HA PHE A 66 13.919 15.859 2.219 1.00 0.00 H new ATOM 0 HB2 PHE A 66 15.268 13.887 0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.554 13.922 0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 66 12.154 15.825 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 66 16.253 15.473 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 66 11.804 17.452 -1.873 1.00 0.00 H new ATOM 0 HE2 PHE A 66 15.903 17.095 -2.985 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.678 18.088 -3.338 1.00 0.00 H new ATOM 961 N HIS A 67 14.054 14.231 4.071 1.00 0.00 N ATOM 962 CA HIS A 67 14.076 13.262 5.159 1.00 0.00 C ATOM 963 C HIS A 67 13.410 11.965 4.715 1.00 0.00 C ATOM 964 O HIS A 67 12.206 11.929 4.480 1.00 0.00 O ATOM 965 CB HIS A 67 13.362 13.830 6.389 1.00 0.00 C ATOM 966 CG HIS A 67 13.927 15.136 6.868 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.259 16.339 6.785 1.00 0.00 N ATOM 968 CD2 HIS A 67 15.115 15.411 7.459 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.041 17.284 7.320 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.182 16.773 7.746 1.00 0.00 N ATOM 0 H HIS A 67 13.369 14.979 4.183 1.00 0.00 H new ATOM 0 HA HIS A 67 15.112 13.053 5.424 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.306 13.966 6.154 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.418 13.102 7.198 1.00 0.00 H new ATOM 0 HD1 HIS A 67 12.332 16.483 6.386 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.888 14.688 7.674 1.00 0.00 H new ATOM 0 HE1 HIS A 67 13.774 18.328 7.394 1.00 0.00 H new ATOM 978 N ILE A 68 14.196 10.907 4.581 1.00 0.00 N ATOM 979 CA ILE A 68 13.675 9.629 4.112 1.00 0.00 C ATOM 980 C ILE A 68 12.866 8.957 5.214 1.00 0.00 C ATOM 981 O ILE A 68 13.418 8.249 6.059 1.00 0.00 O ATOM 982 CB ILE A 68 14.804 8.687 3.642 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.696 9.402 2.623 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.220 7.415 3.039 1.00 0.00 C ATOM 985 CD1 ILE A 68 16.870 8.572 2.152 1.00 0.00 C ATOM 0 H ILE A 68 15.194 10.907 4.789 1.00 0.00 H new ATOM 0 HA ILE A 68 13.031 9.831 3.256 1.00 0.00 H new ATOM 0 HB ILE A 68 15.411 8.411 4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 68 15.093 9.684 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.070 10.325 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.030 6.762 2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.618 6.900 3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.594 7.672 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 68 17.455 9.145 1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.497 8.312 3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 68 16.505 7.661 1.679 1.00 0.00 H new ATOM 997 N ASN A 69 11.556 9.197 5.188 1.00 0.00 N ATOM 998 CA ASN A 69 10.642 8.779 6.253 1.00 0.00 C ATOM 999 C ASN A 69 10.949 9.544 7.538 1.00 0.00 C ATOM 1000 O ASN A 69 11.954 10.249 7.634 1.00 0.00 O ATOM 1001 CB ASN A 69 10.711 7.267 6.522 1.00 0.00 C ATOM 1002 CG ASN A 69 10.342 6.425 5.314 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.168 6.144 5.071 1.00 0.00 O ATOM 1004 ND2 ASN A 69 11.344 6.000 4.560 1.00 0.00 N ATOM 0 H ASN A 69 11.095 9.690 4.423 1.00 0.00 H new ATOM 0 HA ASN A 69 9.631 9.008 5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.720 7.008 6.842 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.042 7.021 7.346 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.157 5.418 3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.303 6.255 4.795 1.00 0.00 H new ATOM 1011 N PHE A 70 10.077 9.422 8.522 1.00 0.00 N ATOM 1012 CA PHE A 70 10.319 10.045 9.808 1.00 0.00 C ATOM 1013 C PHE A 70 10.845 9.007 10.787 1.00 0.00 C ATOM 1014 O PHE A 70 10.073 8.311 11.449 1.00 0.00 O ATOM 1015 CB PHE A 70 9.045 10.703 10.351 1.00 0.00 C ATOM 1016 CG PHE A 70 9.266 11.502 11.607 1.00 0.00 C ATOM 1017 CD1 PHE A 70 9.855 12.755 11.550 1.00 0.00 C ATOM 1018 CD2 PHE A 70 8.891 10.999 12.843 1.00 0.00 C ATOM 1019 CE1 PHE A 70 10.064 13.492 12.700 1.00 0.00 C ATOM 1020 CE2 PHE A 70 9.099 11.730 13.997 1.00 0.00 C ATOM 1021 CZ PHE A 70 9.687 12.978 13.926 1.00 0.00 C ATOM 0 H PHE A 70 9.202 8.902 8.456 1.00 0.00 H new ATOM 0 HA PHE A 70 11.066 10.828 9.681 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.628 11.356 9.584 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.303 9.930 10.549 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.154 13.161 10.595 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.431 10.024 12.905 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.521 14.469 12.641 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.802 11.326 14.954 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.852 13.551 14.827 1.00 0.00 H new ATOM 1031 N GLY A 71 12.162 8.871 10.831 1.00 0.00 N ATOM 1032 CA GLY A 71 12.776 7.939 11.751 1.00 0.00 C ATOM 1033 C GLY A 71 12.939 8.542 13.126 1.00 0.00 C ATOM 1034 O GLY A 71 12.259 8.143 14.074 1.00 0.00 O ATOM 0 H GLY A 71 12.816 9.390 10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.166 7.038 11.818 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.751 7.637 11.368 1.00 0.00 H new ATOM 1038 N ALA A 72 13.832 9.514 13.229 1.00 0.00 N ATOM 1039 CA ALA A 72 14.062 10.209 14.482 1.00 0.00 C ATOM 1040 C ALA A 72 14.248 11.700 14.238 1.00 0.00 C ATOM 1041 O ALA A 72 15.024 12.101 13.368 1.00 0.00 O ATOM 1042 CB ALA A 72 15.278 9.634 15.194 1.00 0.00 C ATOM 0 H ALA A 72 14.411 9.839 12.455 1.00 0.00 H new ATOM 0 HA ALA A 72 13.188 10.068 15.119 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.436 10.167 16.132 1.00 0.00 H new ATOM 0 HB2 ALA A 72 15.112 8.577 15.401 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.158 9.746 14.560 1.00 0.00 H new ATOM 1048 N GLY A 73 13.520 12.514 14.989 1.00 0.00 N ATOM 1049 CA GLY A 73 13.681 13.949 14.890 1.00 0.00 C ATOM 1050 C GLY A 73 14.935 14.410 15.599 1.00 0.00 C ATOM 1051 O GLY A 73 15.301 13.865 16.641 1.00 0.00 O ATOM 0 H GLY A 73 12.821 12.206 15.665 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.725 14.241 13.841 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.812 14.446 15.322 1.00 0.00 H new ATOM 1055 N ILE A 74 15.593 15.423 15.057 1.00 0.00 N ATOM 1056 CA ILE A 74 16.856 15.887 15.607 1.00 0.00 C ATOM 1057 C ILE A 74 16.636 16.624 16.930 1.00 0.00 C ATOM 1058 O ILE A 74 17.568 16.831 17.706 1.00 0.00 O ATOM 1059 CB ILE A 74 17.614 16.787 14.604 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.102 16.833 14.956 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.027 18.194 14.579 1.00 0.00 C ATOM 1062 CD1 ILE A 74 19.967 17.402 13.854 1.00 0.00 C ATOM 0 H ILE A 74 15.273 15.939 14.237 1.00 0.00 H new ATOM 0 HA ILE A 74 17.472 15.009 15.799 1.00 0.00 H new ATOM 0 HB ILE A 74 17.501 16.359 13.608 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.235 17.432 15.857 1.00 0.00 H new ATOM 0 HG13 ILE A 74 19.443 15.824 15.190 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.579 18.806 13.865 1.00 0.00 H new ATOM 0 HG22 ILE A 74 15.979 18.146 14.282 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.103 18.637 15.572 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.009 17.404 14.174 1.00 0.00 H new ATOM 0 HD12 ILE A 74 19.863 16.790 12.958 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.653 18.423 13.635 1.00 0.00 H new ATOM 1074 N ASP A 75 15.391 17.009 17.190 1.00 0.00 N ATOM 1075 CA ASP A 75 15.038 17.617 18.468 1.00 0.00 C ATOM 1076 C ASP A 75 14.858 16.536 19.520 1.00 0.00 C ATOM 1077 O ASP A 75 14.977 16.788 20.718 1.00 0.00 O ATOM 1078 CB ASP A 75 13.765 18.458 18.352 1.00 0.00 C ATOM 1079 CG ASP A 75 13.937 19.637 17.419 1.00 0.00 C ATOM 1080 OD1 ASP A 75 14.845 20.461 17.657 1.00 0.00 O ATOM 1081 OD2 ASP A 75 13.177 19.737 16.433 1.00 0.00 O ATOM 0 H ASP A 75 14.613 16.912 16.537 1.00 0.00 H new ATOM 0 HA ASP A 75 15.850 18.280 18.765 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.949 17.830 17.994 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.479 18.818 19.340 1.00 0.00 H new ATOM 1086 N ASP A 76 14.581 15.325 19.062 1.00 0.00 N ATOM 1087 CA ASP A 76 14.475 14.178 19.951 1.00 0.00 C ATOM 1088 C ASP A 76 15.867 13.645 20.256 1.00 0.00 C ATOM 1089 O ASP A 76 16.126 13.117 21.338 1.00 0.00 O ATOM 1090 CB ASP A 76 13.614 13.085 19.318 1.00 0.00 C ATOM 1091 CG ASP A 76 13.437 11.884 20.224 1.00 0.00 C ATOM 1092 OD1 ASP A 76 12.636 11.972 21.177 1.00 0.00 O ATOM 1093 OD2 ASP A 76 14.083 10.846 19.974 1.00 0.00 O ATOM 0 H ASP A 76 14.425 15.111 18.077 1.00 0.00 H new ATOM 0 HA ASP A 76 13.997 14.490 20.880 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.635 13.496 19.071 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.071 12.765 18.382 1.00 0.00 H new ATOM 1098 N LEU A 77 16.764 13.810 19.290 1.00 0.00 N ATOM 1099 CA LEU A 77 18.165 13.447 19.464 1.00 0.00 C ATOM 1100 C LEU A 77 18.832 14.367 20.484 1.00 0.00 C ATOM 1101 O LEU A 77 19.822 14.000 21.111 1.00 0.00 O ATOM 1102 CB LEU A 77 18.906 13.526 18.125 1.00 0.00 C ATOM 1103 CG LEU A 77 18.383 12.589 17.033 1.00 0.00 C ATOM 1104 CD1 LEU A 77 19.152 12.797 15.737 1.00 0.00 C ATOM 1105 CD2 LEU A 77 18.481 11.138 17.479 1.00 0.00 C ATOM 0 H LEU A 77 16.543 14.196 18.372 1.00 0.00 H new ATOM 0 HA LEU A 77 18.211 12.422 19.833 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.852 14.551 17.758 1.00 0.00 H new ATOM 0 HB3 LEU A 77 19.959 13.304 18.297 1.00 0.00 H new ATOM 0 HG LEU A 77 17.334 12.825 16.855 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.766 12.122 14.973 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.033 13.828 15.405 1.00 0.00 H new ATOM 0 HD13 LEU A 77 20.209 12.590 15.904 1.00 0.00 H new ATOM 0 HD21 LEU A 77 18.104 10.488 16.689 1.00 0.00 H new ATOM 0 HD22 LEU A 77 19.522 10.891 17.687 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.887 10.994 18.381 1.00 0.00 H new ATOM 1117 N LYS A 78 18.277 15.567 20.643 1.00 0.00 N ATOM 1118 CA LYS A 78 18.772 16.515 21.637 1.00 0.00 C ATOM 1119 C LYS A 78 18.535 15.986 23.046 1.00 0.00 C ATOM 1120 O LYS A 78 19.370 16.152 23.936 1.00 0.00 O ATOM 1121 CB LYS A 78 18.079 17.872 21.494 1.00 0.00 C ATOM 1122 CG LYS A 78 18.380 18.607 20.200 1.00 0.00 C ATOM 1123 CD LYS A 78 17.711 19.972 20.185 1.00 0.00 C ATOM 1124 CE LYS A 78 18.064 20.767 18.939 1.00 0.00 C ATOM 1125 NZ LYS A 78 17.476 20.178 17.708 1.00 0.00 N ATOM 0 H LYS A 78 17.485 15.905 20.096 1.00 0.00 H new ATOM 0 HA LYS A 78 19.842 16.639 21.467 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.002 17.724 21.569 1.00 0.00 H new ATOM 0 HB3 LYS A 78 18.373 18.504 22.332 1.00 0.00 H new ATOM 0 HG2 LYS A 78 19.458 18.724 20.085 1.00 0.00 H new ATOM 0 HG3 LYS A 78 18.032 18.017 19.352 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.630 19.846 20.240 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.012 20.533 21.070 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.711 21.792 19.053 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.148 20.813 18.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.673 20.800 16.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.896 19.242 17.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.448 20.080 17.827 1.00 0.00 H new ATOM 1177 N ALA B 2 16.898 -2.270 -14.150 1.00 0.00 N ATOM 1178 CA ALA B 2 15.840 -1.273 -14.122 1.00 0.00 C ATOM 1179 C ALA B 2 14.577 -1.824 -13.469 1.00 0.00 C ATOM 1180 O ALA B 2 13.711 -2.393 -14.139 1.00 0.00 O ATOM 1181 CB ALA B 2 15.538 -0.772 -15.527 1.00 0.00 C ATOM 0 HA ALA B 2 16.190 -0.434 -13.521 1.00 0.00 H new ATOM 0 HB1 ALA B 2 14.744 -0.027 -15.485 1.00 0.00 H new ATOM 0 HB2 ALA B 2 16.435 -0.323 -15.954 1.00 0.00 H new ATOM 0 HB3 ALA B 2 15.219 -1.607 -16.150 1.00 0.00 H new ATOM 1187 N SER B 3 14.502 -1.693 -12.153 1.00 0.00 N ATOM 1188 CA SER B 3 13.311 -2.061 -11.407 1.00 0.00 C ATOM 1189 C SER B 3 12.299 -0.922 -11.462 1.00 0.00 C ATOM 1190 O SER B 3 12.628 0.178 -11.908 1.00 0.00 O ATOM 1191 CB SER B 3 13.688 -2.381 -9.959 1.00 0.00 C ATOM 1192 OG SER B 3 14.706 -3.369 -9.912 1.00 0.00 O ATOM 0 H SER B 3 15.261 -1.331 -11.576 1.00 0.00 H new ATOM 0 HA SER B 3 12.860 -2.948 -11.852 1.00 0.00 H new ATOM 0 HB2 SER B 3 14.030 -1.475 -9.458 1.00 0.00 H new ATOM 0 HB3 SER B 3 12.809 -2.731 -9.418 1.00 0.00 H new ATOM 0 HG SER B 3 14.935 -3.559 -8.978 1.00 0.00 H new ATOM 1198 N LYS B 4 11.075 -1.171 -11.027 1.00 0.00 N ATOM 1199 CA LYS B 4 10.041 -0.152 -11.087 1.00 0.00 C ATOM 1200 C LYS B 4 9.953 0.627 -9.778 1.00 0.00 C ATOM 1201 O LYS B 4 9.811 0.048 -8.700 1.00 0.00 O ATOM 1202 CB LYS B 4 8.689 -0.776 -11.431 1.00 0.00 C ATOM 1203 CG LYS B 4 7.579 0.248 -11.600 1.00 0.00 C ATOM 1204 CD LYS B 4 6.335 -0.365 -12.219 1.00 0.00 C ATOM 1205 CE LYS B 4 5.277 0.691 -12.487 1.00 0.00 C ATOM 1206 NZ LYS B 4 4.120 0.141 -13.237 1.00 0.00 N ATOM 0 H LYS B 4 10.775 -2.062 -10.632 1.00 0.00 H new ATOM 0 HA LYS B 4 10.311 0.549 -11.876 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.786 -1.351 -12.352 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.410 -1.477 -10.645 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.329 0.676 -10.629 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.932 1.066 -12.228 1.00 0.00 H new ATOM 0 HD2 LYS B 4 6.598 -0.865 -13.151 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.931 -1.127 -11.552 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.931 1.106 -11.540 1.00 0.00 H new ATOM 0 HE3 LYS B 4 5.719 1.511 -13.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.421 0.894 -13.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.445 -0.232 -14.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.682 -0.625 -12.687 1.00 0.00 H new ATOM 1220 N ALA B 5 10.043 1.942 -9.890 1.00 0.00 N ATOM 1221 CA ALA B 5 9.926 2.828 -8.746 1.00 0.00 C ATOM 1222 C ALA B 5 8.814 3.842 -8.991 1.00 0.00 C ATOM 1223 O ALA B 5 8.890 4.652 -9.915 1.00 0.00 O ATOM 1224 CB ALA B 5 11.248 3.535 -8.480 1.00 0.00 C ATOM 0 H ALA B 5 10.199 2.424 -10.775 1.00 0.00 H new ATOM 0 HA ALA B 5 9.676 2.237 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA B 5 11.141 4.195 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA B 5 12.022 2.795 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA B 5 11.529 4.122 -9.354 1.00 0.00 H new ATOM 1230 N ILE B 6 7.776 3.781 -8.177 1.00 0.00 N ATOM 1231 CA ILE B 6 6.626 4.655 -8.349 1.00 0.00 C ATOM 1232 C ILE B 6 6.640 5.764 -7.306 1.00 0.00 C ATOM 1233 O ILE B 6 6.755 5.503 -6.109 1.00 0.00 O ATOM 1234 CB ILE B 6 5.301 3.873 -8.248 1.00 0.00 C ATOM 1235 CG1 ILE B 6 5.315 2.670 -9.196 1.00 0.00 C ATOM 1236 CG2 ILE B 6 4.124 4.785 -8.567 1.00 0.00 C ATOM 1237 CD1 ILE B 6 4.085 1.794 -9.090 1.00 0.00 C ATOM 0 H ILE B 6 7.704 3.136 -7.390 1.00 0.00 H new ATOM 0 HA ILE B 6 6.694 5.091 -9.346 1.00 0.00 H new ATOM 0 HB ILE B 6 5.192 3.507 -7.227 1.00 0.00 H new ATOM 0 HG12 ILE B 6 5.407 3.028 -10.221 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.199 2.066 -8.989 1.00 0.00 H new ATOM 0 HG21 ILE B 6 3.195 4.220 -8.492 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.103 5.613 -7.859 1.00 0.00 H new ATOM 0 HG23 ILE B 6 4.230 5.176 -9.579 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.168 0.964 -9.791 1.00 0.00 H new ATOM 0 HD12 ILE B 6 4.002 1.405 -8.075 1.00 0.00 H new ATOM 0 HD13 ILE B 6 3.198 2.382 -9.327 1.00 0.00 H new ATOM 1249 N PHE B 7 6.530 6.999 -7.765 1.00 0.00 N ATOM 1250 CA PHE B 7 6.530 8.141 -6.871 1.00 0.00 C ATOM 1251 C PHE B 7 5.119 8.693 -6.728 1.00 0.00 C ATOM 1252 O PHE B 7 4.443 8.953 -7.723 1.00 0.00 O ATOM 1253 CB PHE B 7 7.476 9.227 -7.391 1.00 0.00 C ATOM 1254 CG PHE B 7 7.600 10.407 -6.469 1.00 0.00 C ATOM 1255 CD1 PHE B 7 8.347 10.316 -5.308 1.00 0.00 C ATOM 1256 CD2 PHE B 7 6.965 11.603 -6.762 1.00 0.00 C ATOM 1257 CE1 PHE B 7 8.460 11.395 -4.454 1.00 0.00 C ATOM 1258 CE2 PHE B 7 7.074 12.686 -5.911 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.823 12.581 -4.756 1.00 0.00 C ATOM 0 H PHE B 7 6.440 7.235 -8.753 1.00 0.00 H new ATOM 0 HA PHE B 7 6.882 7.818 -5.891 1.00 0.00 H new ATOM 0 HB2 PHE B 7 8.464 8.793 -7.547 1.00 0.00 H new ATOM 0 HB3 PHE B 7 7.122 9.571 -8.363 1.00 0.00 H new ATOM 0 HD1 PHE B 7 8.848 9.390 -5.067 1.00 0.00 H new ATOM 0 HD2 PHE B 7 6.379 11.690 -7.665 1.00 0.00 H new ATOM 0 HE1 PHE B 7 9.046 11.311 -3.551 1.00 0.00 H new ATOM 0 HE2 PHE B 7 6.574 13.613 -6.149 1.00 0.00 H new ATOM 0 HZ PHE B 7 7.910 13.426 -4.090 1.00 0.00 H new ATOM 1269 N TYR B 8 4.675 8.856 -5.493 1.00 0.00 N ATOM 1270 CA TYR B 8 3.344 9.376 -5.221 1.00 0.00 C ATOM 1271 C TYR B 8 3.436 10.744 -4.561 1.00 0.00 C ATOM 1272 O TYR B 8 4.217 10.935 -3.626 1.00 0.00 O ATOM 1273 CB TYR B 8 2.569 8.428 -4.301 1.00 0.00 C ATOM 1274 CG TYR B 8 2.324 7.051 -4.878 1.00 0.00 C ATOM 1275 CD1 TYR B 8 1.251 6.814 -5.725 1.00 0.00 C ATOM 1276 CD2 TYR B 8 3.157 5.986 -4.559 1.00 0.00 C ATOM 1277 CE1 TYR B 8 1.014 5.555 -6.241 1.00 0.00 C ATOM 1278 CE2 TYR B 8 2.925 4.723 -5.070 1.00 0.00 C ATOM 1279 CZ TYR B 8 1.853 4.513 -5.910 1.00 0.00 C ATOM 1280 OH TYR B 8 1.618 3.256 -6.417 1.00 0.00 O ATOM 0 H TYR B 8 5.219 8.635 -4.659 1.00 0.00 H new ATOM 0 HA TYR B 8 2.817 9.463 -6.171 1.00 0.00 H new ATOM 0 HB2 TYR B 8 3.117 8.323 -3.365 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.608 8.882 -4.059 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.590 7.628 -5.985 1.00 0.00 H new ATOM 0 HD2 TYR B 8 3.999 6.147 -3.902 1.00 0.00 H new ATOM 0 HE1 TYR B 8 0.175 5.388 -6.901 1.00 0.00 H new ATOM 0 HE2 TYR B 8 3.581 3.905 -4.812 1.00 0.00 H new ATOM 0 HH TYR B 8 2.302 2.637 -6.087 1.00 0.00 H new ATOM 1290 N HIS B 9 2.649 11.696 -5.044 1.00 0.00 N ATOM 1291 CA HIS B 9 2.577 13.008 -4.414 1.00 0.00 C ATOM 1292 C HIS B 9 1.195 13.629 -4.613 1.00 0.00 C ATOM 1293 O HIS B 9 0.347 13.057 -5.297 1.00 0.00 O ATOM 1294 CB HIS B 9 3.680 13.940 -4.932 1.00 0.00 C ATOM 1295 CG HIS B 9 3.538 14.363 -6.360 1.00 0.00 C ATOM 1296 ND1 HIS B 9 2.844 15.495 -6.698 1.00 0.00 N ATOM 1297 CD2 HIS B 9 4.058 13.811 -7.478 1.00 0.00 C ATOM 1298 CE1 HIS B 9 2.962 15.611 -8.009 1.00 0.00 C ATOM 1299 NE2 HIS B 9 3.693 14.614 -8.529 1.00 0.00 N ATOM 0 H HIS B 9 2.054 11.586 -5.865 1.00 0.00 H new ATOM 0 HA HIS B 9 2.739 12.873 -3.345 1.00 0.00 H new ATOM 0 HB2 HIS B 9 3.703 14.832 -4.306 1.00 0.00 H new ATOM 0 HB3 HIS B 9 4.641 13.441 -4.811 1.00 0.00 H new ATOM 0 HD2 HIS B 9 4.649 12.909 -7.534 1.00 0.00 H new ATOM 0 HE1 HIS B 9 2.524 16.409 -8.590 1.00 0.00 H new ATOM 0 HE2 HIS B 9 3.931 14.479 -9.512 1.00 0.00 H new ATOM 1307 N ALA B 10 0.975 14.799 -4.020 1.00 0.00 N ATOM 1308 CA ALA B 10 -0.354 15.404 -4.004 1.00 0.00 C ATOM 1309 C ALA B 10 -0.347 16.838 -4.532 1.00 0.00 C ATOM 1310 O ALA B 10 -1.327 17.565 -4.372 1.00 0.00 O ATOM 1311 CB ALA B 10 -0.922 15.365 -2.594 1.00 0.00 C ATOM 0 H ALA B 10 1.695 15.345 -3.547 1.00 0.00 H new ATOM 0 HA ALA B 10 -0.987 14.821 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -1.914 15.818 -2.589 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -0.994 14.330 -2.259 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.266 15.919 -1.922 1.00 0.00 H new ATOM 1317 N GLY B 11 0.750 17.243 -5.158 1.00 0.00 N ATOM 1318 CA GLY B 11 0.808 18.564 -5.765 1.00 0.00 C ATOM 1319 C GLY B 11 1.297 19.652 -4.822 1.00 0.00 C ATOM 1320 O GLY B 11 1.375 20.819 -5.208 1.00 0.00 O ATOM 0 H GLY B 11 1.598 16.686 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY B 11 1.466 18.526 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -0.184 18.830 -6.129 1.00 0.00 H new ATOM 1324 N CYS B 12 1.620 19.278 -3.591 1.00 0.00 N ATOM 1325 CA CYS B 12 2.153 20.224 -2.610 1.00 0.00 C ATOM 1326 C CYS B 12 3.484 20.813 -3.097 1.00 0.00 C ATOM 1327 O CYS B 12 4.150 20.222 -3.948 1.00 0.00 O ATOM 1328 CB CYS B 12 2.360 19.519 -1.265 1.00 0.00 C ATOM 1329 SG CYS B 12 0.900 18.653 -0.642 1.00 0.00 S ATOM 0 H CYS B 12 1.523 18.324 -3.244 1.00 0.00 H new ATOM 0 HA CYS B 12 1.436 21.036 -2.486 1.00 0.00 H new ATOM 0 HB2 CYS B 12 3.176 18.804 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS B 12 2.672 20.257 -0.526 1.00 0.00 H new ATOM 0 HG CYS B 12 1.182 18.091 0.496 1.00 0.00 H new ATOM 1335 N PRO B 13 3.898 21.978 -2.564 1.00 0.00 N ATOM 1336 CA PRO B 13 5.174 22.611 -2.929 1.00 0.00 C ATOM 1337 C PRO B 13 6.358 21.658 -2.761 1.00 0.00 C ATOM 1338 O PRO B 13 7.287 21.650 -3.570 1.00 0.00 O ATOM 1339 CB PRO B 13 5.297 23.795 -1.957 1.00 0.00 C ATOM 1340 CG PRO B 13 4.245 23.578 -0.919 1.00 0.00 C ATOM 1341 CD PRO B 13 3.156 22.787 -1.585 1.00 0.00 C ATOM 0 HA PRO B 13 5.188 22.911 -3.977 1.00 0.00 H new ATOM 0 HB2 PRO B 13 6.289 23.831 -1.507 1.00 0.00 H new ATOM 0 HB3 PRO B 13 5.147 24.743 -2.474 1.00 0.00 H new ATOM 0 HG2 PRO B 13 4.649 23.039 -0.062 1.00 0.00 H new ATOM 0 HG3 PRO B 13 3.864 24.529 -0.547 1.00 0.00 H new ATOM 0 HD2 PRO B 13 2.614 22.165 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO B 13 2.422 23.433 -2.067 1.00 0.00 H new ATOM 1349 N VAL B 14 6.301 20.842 -1.711 1.00 0.00 N ATOM 1350 CA VAL B 14 7.335 19.848 -1.441 1.00 0.00 C ATOM 1351 C VAL B 14 7.395 18.814 -2.566 1.00 0.00 C ATOM 1352 O VAL B 14 8.462 18.298 -2.897 1.00 0.00 O ATOM 1353 CB VAL B 14 7.075 19.127 -0.099 1.00 0.00 C ATOM 1354 CG1 VAL B 14 8.193 18.144 0.223 1.00 0.00 C ATOM 1355 CG2 VAL B 14 6.908 20.135 1.028 1.00 0.00 C ATOM 0 H VAL B 14 5.543 20.851 -1.029 1.00 0.00 H new ATOM 0 HA VAL B 14 8.288 20.373 -1.381 1.00 0.00 H new ATOM 0 HB VAL B 14 6.148 18.561 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL B 14 7.983 17.652 1.173 1.00 0.00 H new ATOM 0 HG12 VAL B 14 8.258 17.396 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL B 14 9.139 18.680 0.294 1.00 0.00 H new ATOM 0 HG21 VAL B 14 6.726 19.607 1.964 1.00 0.00 H new ATOM 0 HG22 VAL B 14 7.815 20.733 1.119 1.00 0.00 H new ATOM 0 HG23 VAL B 14 6.063 20.788 0.810 1.00 0.00 H new ATOM 1365 N CYS B 15 6.244 18.541 -3.172 1.00 0.00 N ATOM 1366 CA CYS B 15 6.150 17.544 -4.230 1.00 0.00 C ATOM 1367 C CYS B 15 6.942 17.984 -5.453 1.00 0.00 C ATOM 1368 O CYS B 15 7.677 17.195 -6.037 1.00 0.00 O ATOM 1369 CB CYS B 15 4.688 17.315 -4.612 1.00 0.00 C ATOM 1370 SG CYS B 15 3.616 16.917 -3.212 1.00 0.00 S ATOM 0 H CYS B 15 5.361 18.999 -2.947 1.00 0.00 H new ATOM 0 HA CYS B 15 6.572 16.610 -3.859 1.00 0.00 H new ATOM 0 HB2 CYS B 15 4.308 18.210 -5.105 1.00 0.00 H new ATOM 0 HB3 CYS B 15 4.636 16.504 -5.339 1.00 0.00 H new ATOM 0 HG CYS B 15 4.227 17.206 -2.102 1.00 0.00 H new ATOM 1376 N VAL B 16 6.802 19.257 -5.814 1.00 0.00 N ATOM 1377 CA VAL B 16 7.501 19.814 -6.969 1.00 0.00 C ATOM 1378 C VAL B 16 9.011 19.650 -6.813 1.00 0.00 C ATOM 1379 O VAL B 16 9.704 19.227 -7.741 1.00 0.00 O ATOM 1380 CB VAL B 16 7.164 21.310 -7.162 1.00 0.00 C ATOM 1381 CG1 VAL B 16 7.827 21.860 -8.418 1.00 0.00 C ATOM 1382 CG2 VAL B 16 5.657 21.518 -7.217 1.00 0.00 C ATOM 0 H VAL B 16 6.209 19.924 -5.321 1.00 0.00 H new ATOM 0 HA VAL B 16 7.166 19.265 -7.849 1.00 0.00 H new ATOM 0 HB VAL B 16 7.556 21.858 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL B 16 7.574 22.914 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL B 16 8.909 21.753 -8.335 1.00 0.00 H new ATOM 0 HG13 VAL B 16 7.473 21.307 -9.288 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.441 22.578 -7.353 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.242 20.953 -8.051 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.208 21.173 -6.286 1.00 0.00 H new ATOM 1392 N SER B 17 9.509 19.965 -5.623 1.00 0.00 N ATOM 1393 CA SER B 17 10.925 19.821 -5.327 1.00 0.00 C ATOM 1394 C SER B 17 11.324 18.346 -5.376 1.00 0.00 C ATOM 1395 O SER B 17 12.357 17.989 -5.938 1.00 0.00 O ATOM 1396 CB SER B 17 11.242 20.419 -3.951 1.00 0.00 C ATOM 1397 OG SER B 17 12.636 20.407 -3.689 1.00 0.00 O ATOM 0 H SER B 17 8.950 20.322 -4.848 1.00 0.00 H new ATOM 0 HA SER B 17 11.500 20.362 -6.079 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.870 21.443 -3.903 1.00 0.00 H new ATOM 0 HB3 SER B 17 10.720 19.854 -3.178 1.00 0.00 H new ATOM 0 HG SER B 17 12.806 20.796 -2.806 1.00 0.00 H new ATOM 1403 N ALA B 18 10.480 17.491 -4.810 1.00 0.00 N ATOM 1404 CA ALA B 18 10.742 16.059 -4.783 1.00 0.00 C ATOM 1405 C ALA B 18 10.802 15.479 -6.195 1.00 0.00 C ATOM 1406 O ALA B 18 11.616 14.599 -6.475 1.00 0.00 O ATOM 1407 CB ALA B 18 9.687 15.344 -3.955 1.00 0.00 C ATOM 0 H ALA B 18 9.606 17.767 -4.363 1.00 0.00 H new ATOM 0 HA ALA B 18 11.716 15.903 -4.319 1.00 0.00 H new ATOM 0 HB1 ALA B 18 9.896 14.274 -3.944 1.00 0.00 H new ATOM 0 HB2 ALA B 18 9.704 15.727 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA B 18 8.703 15.517 -4.391 1.00 0.00 H new ATOM 1413 N GLU B 19 9.946 15.976 -7.082 1.00 0.00 N ATOM 1414 CA GLU B 19 9.948 15.536 -8.472 1.00 0.00 C ATOM 1415 C GLU B 19 11.247 15.936 -9.160 1.00 0.00 C ATOM 1416 O GLU B 19 11.951 15.099 -9.722 1.00 0.00 O ATOM 1417 CB GLU B 19 8.768 16.134 -9.245 1.00 0.00 C ATOM 1418 CG GLU B 19 7.402 15.705 -8.740 1.00 0.00 C ATOM 1419 CD GLU B 19 6.275 16.255 -9.593 1.00 0.00 C ATOM 1420 OE1 GLU B 19 6.019 17.479 -9.541 1.00 0.00 O ATOM 1421 OE2 GLU B 19 5.644 15.468 -10.332 1.00 0.00 O ATOM 0 H GLU B 19 9.243 16.682 -6.863 1.00 0.00 H new ATOM 0 HA GLU B 19 9.856 14.450 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU B 19 8.833 17.221 -9.199 1.00 0.00 H new ATOM 0 HB3 GLU B 19 8.858 15.853 -10.294 1.00 0.00 H new ATOM 0 HG2 GLU B 19 7.347 14.616 -8.727 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.275 16.043 -7.712 1.00 0.00 H new ATOM 1428 N GLN B 20 11.573 17.218 -9.096 1.00 0.00 N ATOM 1429 CA GLN B 20 12.712 17.753 -9.830 1.00 0.00 C ATOM 1430 C GLN B 20 14.045 17.315 -9.231 1.00 0.00 C ATOM 1431 O GLN B 20 15.056 17.277 -9.931 1.00 0.00 O ATOM 1432 CB GLN B 20 12.634 19.277 -9.895 1.00 0.00 C ATOM 1433 CG GLN B 20 11.419 19.774 -10.657 1.00 0.00 C ATOM 1434 CD GLN B 20 11.346 19.203 -12.063 1.00 0.00 C ATOM 1435 OE1 GLN B 20 12.370 18.929 -12.692 1.00 0.00 O ATOM 1436 NE2 GLN B 20 10.135 18.993 -12.552 1.00 0.00 N ATOM 0 H GLN B 20 11.065 17.909 -8.543 1.00 0.00 H new ATOM 0 HA GLN B 20 12.664 17.347 -10.840 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.610 19.678 -8.882 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.537 19.662 -10.369 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.515 19.505 -10.111 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.447 20.862 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN B 20 9.313 19.234 -11.999 1.00 0.00 H new ATOM 0 HE22 GLN B 20 10.023 18.590 -13.482 1.00 0.00 H new ATOM 1445 N ALA B 21 14.046 16.981 -7.949 1.00 0.00 N ATOM 1446 CA ALA B 21 15.265 16.537 -7.289 1.00 0.00 C ATOM 1447 C ALA B 21 15.326 15.015 -7.190 1.00 0.00 C ATOM 1448 O ALA B 21 16.122 14.380 -7.874 1.00 0.00 O ATOM 1449 CB ALA B 21 15.389 17.168 -5.910 1.00 0.00 C ATOM 0 H ALA B 21 13.222 17.008 -7.348 1.00 0.00 H new ATOM 0 HA ALA B 21 16.108 16.863 -7.898 1.00 0.00 H new ATOM 0 HB1 ALA B 21 16.307 16.823 -5.433 1.00 0.00 H new ATOM 0 HB2 ALA B 21 15.416 18.253 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA B 21 14.533 16.880 -5.300 1.00 0.00 H new ATOM 1455 N VAL B 22 14.466 14.431 -6.361 1.00 0.00 N ATOM 1456 CA VAL B 22 14.510 12.993 -6.092 1.00 0.00 C ATOM 1457 C VAL B 22 14.091 12.175 -7.311 1.00 0.00 C ATOM 1458 O VAL B 22 14.795 11.249 -7.718 1.00 0.00 O ATOM 1459 CB VAL B 22 13.613 12.610 -4.893 1.00 0.00 C ATOM 1460 CG1 VAL B 22 13.634 11.106 -4.655 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.053 13.349 -3.641 1.00 0.00 C ATOM 0 H VAL B 22 13.729 14.930 -5.862 1.00 0.00 H new ATOM 0 HA VAL B 22 15.547 12.760 -5.850 1.00 0.00 H new ATOM 0 HB VAL B 22 12.590 12.903 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL B 22 12.995 10.863 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL B 22 13.268 10.592 -5.544 1.00 0.00 H new ATOM 0 HG13 VAL B 22 14.654 10.785 -4.445 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.410 13.067 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.085 13.088 -3.408 1.00 0.00 H new ATOM 0 HG23 VAL B 22 13.980 14.424 -3.808 1.00 0.00 H new ATOM 1471 N ALA B 23 12.957 12.530 -7.903 1.00 0.00 N ATOM 1472 CA ALA B 23 12.416 11.777 -9.031 1.00 0.00 C ATOM 1473 C ALA B 23 13.240 11.997 -10.300 1.00 0.00 C ATOM 1474 O ALA B 23 13.008 11.351 -11.319 1.00 0.00 O ATOM 1475 CB ALA B 23 10.960 12.144 -9.265 1.00 0.00 C ATOM 0 H ALA B 23 12.394 13.333 -7.622 1.00 0.00 H new ATOM 0 HA ALA B 23 12.473 10.717 -8.782 1.00 0.00 H new ATOM 0 HB1 ALA B 23 10.572 11.574 -10.109 1.00 0.00 H new ATOM 0 HB2 ALA B 23 10.378 11.912 -8.373 1.00 0.00 H new ATOM 0 HB3 ALA B 23 10.884 13.210 -9.481 1.00 0.00 H new ATOM 1481 N ASN B 24 14.192 12.917 -10.235 1.00 0.00 N ATOM 1482 CA ASN B 24 15.111 13.145 -11.346 1.00 0.00 C ATOM 1483 C ASN B 24 16.513 12.672 -10.991 1.00 0.00 C ATOM 1484 O ASN B 24 17.396 12.612 -11.850 1.00 0.00 O ATOM 1485 CB ASN B 24 15.134 14.623 -11.745 1.00 0.00 C ATOM 1486 CG ASN B 24 14.060 14.967 -12.761 1.00 0.00 C ATOM 1487 OD1 ASN B 24 14.297 14.927 -13.968 1.00 0.00 O ATOM 1488 ND2 ASN B 24 12.870 15.296 -12.286 1.00 0.00 N ATOM 0 H ASN B 24 14.350 13.518 -9.426 1.00 0.00 H new ATOM 0 HA ASN B 24 14.755 12.566 -12.198 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.999 15.238 -10.856 1.00 0.00 H new ATOM 0 HB3 ASN B 24 16.112 14.870 -12.157 1.00 0.00 H new ATOM 0 HD21 ASN B 24 12.111 15.527 -12.927 1.00 0.00 H new ATOM 0 HD22 ASN B 24 12.711 15.318 -11.279 1.00 0.00 H new ATOM 1495 N ALA B 25 16.714 12.342 -9.719 1.00 0.00 N ATOM 1496 CA ALA B 25 17.981 11.794 -9.260 1.00 0.00 C ATOM 1497 C ALA B 25 18.088 10.342 -9.685 1.00 0.00 C ATOM 1498 O ALA B 25 19.139 9.885 -10.132 1.00 0.00 O ATOM 1499 CB ALA B 25 18.110 11.922 -7.750 1.00 0.00 C ATOM 0 H ALA B 25 16.011 12.446 -8.987 1.00 0.00 H new ATOM 0 HA ALA B 25 18.796 12.359 -9.712 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.065 11.506 -7.430 1.00 0.00 H new ATOM 0 HB2 ALA B 25 18.060 12.974 -7.468 1.00 0.00 H new ATOM 0 HB3 ALA B 25 17.297 11.378 -7.268 1.00 0.00 H new ATOM 1505 N ILE B 26 16.984 9.623 -9.541 1.00 0.00 N ATOM 1506 CA ILE B 26 16.889 8.275 -10.062 1.00 0.00 C ATOM 1507 C ILE B 26 16.644 8.351 -11.561 1.00 0.00 C ATOM 1508 O ILE B 26 15.606 8.839 -12.007 1.00 0.00 O ATOM 1509 CB ILE B 26 15.755 7.475 -9.386 1.00 0.00 C ATOM 1510 CG1 ILE B 26 15.940 7.478 -7.866 1.00 0.00 C ATOM 1511 CG2 ILE B 26 15.725 6.048 -9.917 1.00 0.00 C ATOM 1512 CD1 ILE B 26 14.846 6.749 -7.119 1.00 0.00 C ATOM 0 H ILE B 26 16.144 9.954 -9.067 1.00 0.00 H new ATOM 0 HA ILE B 26 17.823 7.755 -9.850 1.00 0.00 H new ATOM 0 HB ILE B 26 14.803 7.950 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE B 26 16.899 7.021 -7.625 1.00 0.00 H new ATOM 0 HG13 ILE B 26 15.982 8.509 -7.516 1.00 0.00 H new ATOM 0 HG21 ILE B 26 14.920 5.496 -9.431 1.00 0.00 H new ATOM 0 HG22 ILE B 26 15.556 6.064 -10.994 1.00 0.00 H new ATOM 0 HG23 ILE B 26 16.677 5.561 -9.707 1.00 0.00 H new ATOM 0 HD11 ILE B 26 15.045 6.793 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE B 26 13.886 7.220 -7.330 1.00 0.00 H new ATOM 0 HD13 ILE B 26 14.818 5.708 -7.440 1.00 0.00 H new ATOM 1524 N ASP B 27 17.616 7.898 -12.331 1.00 0.00 N ATOM 1525 CA ASP B 27 17.575 8.058 -13.776 1.00 0.00 C ATOM 1526 C ASP B 27 16.550 7.119 -14.405 1.00 0.00 C ATOM 1527 O ASP B 27 16.463 5.949 -14.032 1.00 0.00 O ATOM 1528 CB ASP B 27 18.957 7.799 -14.373 1.00 0.00 C ATOM 1529 CG ASP B 27 19.080 8.342 -15.778 1.00 0.00 C ATOM 1530 OD1 ASP B 27 18.735 7.618 -16.731 1.00 0.00 O ATOM 1531 OD2 ASP B 27 19.515 9.505 -15.928 1.00 0.00 O ATOM 0 H ASP B 27 18.444 7.416 -11.982 1.00 0.00 H new ATOM 0 HA ASP B 27 17.276 9.083 -13.994 1.00 0.00 H new ATOM 0 HB2 ASP B 27 19.717 8.257 -13.740 1.00 0.00 H new ATOM 0 HB3 ASP B 27 19.153 6.727 -14.381 1.00 0.00 H new ATOM 1536 N PRO B 28 15.760 7.626 -15.367 1.00 0.00 N ATOM 1537 CA PRO B 28 14.757 6.828 -16.086 1.00 0.00 C ATOM 1538 C PRO B 28 15.377 5.677 -16.877 1.00 0.00 C ATOM 1539 O PRO B 28 14.693 4.717 -17.232 1.00 0.00 O ATOM 1540 CB PRO B 28 14.102 7.834 -17.040 1.00 0.00 C ATOM 1541 CG PRO B 28 14.419 9.173 -16.469 1.00 0.00 C ATOM 1542 CD PRO B 28 15.760 9.030 -15.813 1.00 0.00 C ATOM 0 HA PRO B 28 14.057 6.356 -15.397 1.00 0.00 H new ATOM 0 HB2 PRO B 28 14.497 7.733 -18.051 1.00 0.00 H new ATOM 0 HB3 PRO B 28 13.025 7.676 -17.101 1.00 0.00 H new ATOM 0 HG2 PRO B 28 14.444 9.935 -17.248 1.00 0.00 H new ATOM 0 HG3 PRO B 28 13.662 9.480 -15.748 1.00 0.00 H new ATOM 0 HD2 PRO B 28 16.574 9.233 -16.509 1.00 0.00 H new ATOM 0 HD3 PRO B 28 15.876 9.720 -14.977 1.00 0.00 H new ATOM 1550 N SER B 29 16.670 5.776 -17.159 1.00 0.00 N ATOM 1551 CA SER B 29 17.379 4.713 -17.857 1.00 0.00 C ATOM 1552 C SER B 29 18.105 3.818 -16.859 1.00 0.00 C ATOM 1553 O SER B 29 18.814 2.885 -17.238 1.00 0.00 O ATOM 1554 CB SER B 29 18.367 5.306 -18.860 1.00 0.00 C ATOM 1555 OG SER B 29 17.703 6.169 -19.771 1.00 0.00 O ATOM 0 H SER B 29 17.248 6.581 -16.915 1.00 0.00 H new ATOM 0 HA SER B 29 16.654 4.108 -18.401 1.00 0.00 H new ATOM 0 HB2 SER B 29 19.144 5.857 -18.330 1.00 0.00 H new ATOM 0 HB3 SER B 29 18.862 4.504 -19.407 1.00 0.00 H new ATOM 0 HG SER B 29 18.353 6.540 -20.404 1.00 0.00 H new ATOM 1561 N LYS B 30 17.926 4.113 -15.581 1.00 0.00 N ATOM 1562 CA LYS B 30 18.509 3.312 -14.519 1.00 0.00 C ATOM 1563 C LYS B 30 17.415 2.485 -13.852 1.00 0.00 C ATOM 1564 O LYS B 30 17.607 1.308 -13.548 1.00 0.00 O ATOM 1565 CB LYS B 30 19.196 4.213 -13.489 1.00 0.00 C ATOM 1566 CG LYS B 30 20.009 3.456 -12.451 1.00 0.00 C ATOM 1567 CD LYS B 30 20.505 4.383 -11.352 1.00 0.00 C ATOM 1568 CE LYS B 30 21.362 3.643 -10.339 1.00 0.00 C ATOM 1569 NZ LYS B 30 22.666 3.226 -10.912 1.00 0.00 N ATOM 0 H LYS B 30 17.377 4.908 -15.254 1.00 0.00 H new ATOM 0 HA LYS B 30 19.259 2.644 -14.943 1.00 0.00 H new ATOM 0 HB2 LYS B 30 19.851 4.910 -14.011 1.00 0.00 H new ATOM 0 HB3 LYS B 30 18.438 4.808 -12.979 1.00 0.00 H new ATOM 0 HG2 LYS B 30 19.399 2.665 -12.014 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.859 2.973 -12.933 1.00 0.00 H new ATOM 0 HD2 LYS B 30 21.083 5.195 -11.794 1.00 0.00 H new ATOM 0 HD3 LYS B 30 19.653 4.837 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.534 4.283 -9.474 1.00 0.00 H new ATOM 0 HE3 LYS B 30 20.825 2.764 -9.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 23.219 2.725 -10.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 22.503 2.594 -11.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 23.191 4.066 -11.228 1.00 0.00 H new ATOM 1583 N TYR B 31 16.266 3.116 -13.635 1.00 0.00 N ATOM 1584 CA TYR B 31 15.097 2.447 -13.080 1.00 0.00 C ATOM 1585 C TYR B 31 13.841 2.953 -13.775 1.00 0.00 C ATOM 1586 O TYR B 31 13.854 4.016 -14.394 1.00 0.00 O ATOM 1587 CB TYR B 31 14.983 2.690 -11.568 1.00 0.00 C ATOM 1588 CG TYR B 31 16.076 2.040 -10.748 1.00 0.00 C ATOM 1589 CD1 TYR B 31 16.019 0.690 -10.428 1.00 0.00 C ATOM 1590 CD2 TYR B 31 17.163 2.775 -10.295 1.00 0.00 C ATOM 1591 CE1 TYR B 31 17.016 0.092 -9.680 1.00 0.00 C ATOM 1592 CE2 TYR B 31 18.162 2.184 -9.547 1.00 0.00 C ATOM 1593 CZ TYR B 31 18.085 0.843 -9.243 1.00 0.00 C ATOM 1594 OH TYR B 31 19.084 0.253 -8.502 1.00 0.00 O ATOM 0 H TYR B 31 16.120 4.105 -13.839 1.00 0.00 H new ATOM 0 HA TYR B 31 15.206 1.375 -13.246 1.00 0.00 H new ATOM 0 HB2 TYR B 31 14.996 3.764 -11.383 1.00 0.00 H new ATOM 0 HB3 TYR B 31 14.018 2.319 -11.224 1.00 0.00 H new ATOM 0 HD1 TYR B 31 15.183 0.098 -10.769 1.00 0.00 H new ATOM 0 HD2 TYR B 31 17.228 3.827 -10.532 1.00 0.00 H new ATOM 0 HE1 TYR B 31 16.957 -0.959 -9.439 1.00 0.00 H new ATOM 0 HE2 TYR B 31 19.000 2.771 -9.202 1.00 0.00 H new ATOM 0 HH TYR B 31 19.763 0.923 -8.276 1.00 0.00 H new ATOM 1604 N THR B 32 12.762 2.195 -13.670 1.00 0.00 N ATOM 1605 CA THR B 32 11.495 2.586 -14.262 1.00 0.00 C ATOM 1606 C THR B 32 10.732 3.492 -13.303 1.00 0.00 C ATOM 1607 O THR B 32 10.054 3.016 -12.393 1.00 0.00 O ATOM 1608 CB THR B 32 10.634 1.352 -14.600 1.00 0.00 C ATOM 1609 OG1 THR B 32 11.410 0.407 -15.354 1.00 0.00 O ATOM 1610 CG2 THR B 32 9.401 1.748 -15.400 1.00 0.00 C ATOM 0 H THR B 32 12.739 1.302 -13.178 1.00 0.00 H new ATOM 0 HA THR B 32 11.706 3.123 -15.187 1.00 0.00 H new ATOM 0 HB THR B 32 10.309 0.899 -13.664 1.00 0.00 H new ATOM 0 HG1 THR B 32 10.859 -0.375 -15.564 1.00 0.00 H new ATOM 0 HG21 THR B 32 8.812 0.859 -15.625 1.00 0.00 H new ATOM 0 HG22 THR B 32 8.798 2.445 -14.818 1.00 0.00 H new ATOM 0 HG23 THR B 32 9.709 2.224 -16.331 1.00 0.00 H new ATOM 1618 N VAL B 33 10.872 4.795 -13.492 1.00 0.00 N ATOM 1619 CA VAL B 33 10.276 5.765 -12.587 1.00 0.00 C ATOM 1620 C VAL B 33 8.953 6.288 -13.134 1.00 0.00 C ATOM 1621 O VAL B 33 8.909 6.908 -14.198 1.00 0.00 O ATOM 1622 CB VAL B 33 11.224 6.957 -12.335 1.00 0.00 C ATOM 1623 CG1 VAL B 33 10.638 7.908 -11.299 1.00 0.00 C ATOM 1624 CG2 VAL B 33 12.596 6.467 -11.901 1.00 0.00 C ATOM 0 H VAL B 33 11.394 5.206 -14.266 1.00 0.00 H new ATOM 0 HA VAL B 33 10.096 5.248 -11.644 1.00 0.00 H new ATOM 0 HB VAL B 33 11.336 7.505 -13.270 1.00 0.00 H new ATOM 0 HG11 VAL B 33 11.324 8.739 -11.139 1.00 0.00 H new ATOM 0 HG12 VAL B 33 9.682 8.290 -11.656 1.00 0.00 H new ATOM 0 HG13 VAL B 33 10.488 7.375 -10.360 1.00 0.00 H new ATOM 0 HG21 VAL B 33 13.250 7.322 -11.728 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.502 5.890 -10.981 1.00 0.00 H new ATOM 0 HG23 VAL B 33 13.021 5.837 -12.682 1.00 0.00 H new ATOM 1634 N GLU B 34 7.877 6.031 -12.405 1.00 0.00 N ATOM 1635 CA GLU B 34 6.565 6.549 -12.765 1.00 0.00 C ATOM 1636 C GLU B 34 6.028 7.440 -11.654 1.00 0.00 C ATOM 1637 O GLU B 34 5.862 7.001 -10.515 1.00 0.00 O ATOM 1638 CB GLU B 34 5.583 5.408 -13.054 1.00 0.00 C ATOM 1639 CG GLU B 34 5.848 4.694 -14.371 1.00 0.00 C ATOM 1640 CD GLU B 34 4.833 3.607 -14.665 1.00 0.00 C ATOM 1641 OE1 GLU B 34 3.628 3.827 -14.424 1.00 0.00 O ATOM 1642 OE2 GLU B 34 5.237 2.519 -15.132 1.00 0.00 O ATOM 0 H GLU B 34 7.887 5.464 -11.557 1.00 0.00 H new ATOM 0 HA GLU B 34 6.671 7.142 -13.673 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.632 4.683 -12.241 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.569 5.807 -13.064 1.00 0.00 H new ATOM 0 HG2 GLU B 34 5.839 5.422 -15.182 1.00 0.00 H new ATOM 0 HG3 GLU B 34 6.846 4.256 -14.347 1.00 0.00 H new ATOM 1649 N ILE B 35 5.783 8.699 -11.982 1.00 0.00 N ATOM 1650 CA ILE B 35 5.275 9.658 -11.013 1.00 0.00 C ATOM 1651 C ILE B 35 3.754 9.750 -11.100 1.00 0.00 C ATOM 1652 O ILE B 35 3.203 10.070 -12.154 1.00 0.00 O ATOM 1653 CB ILE B 35 5.884 11.057 -11.241 1.00 0.00 C ATOM 1654 CG1 ILE B 35 7.414 10.981 -11.234 1.00 0.00 C ATOM 1655 CG2 ILE B 35 5.393 12.026 -10.175 1.00 0.00 C ATOM 1656 CD1 ILE B 35 8.091 12.295 -11.567 1.00 0.00 C ATOM 0 H ILE B 35 5.928 9.082 -12.916 1.00 0.00 H new ATOM 0 HA ILE B 35 5.563 9.307 -10.022 1.00 0.00 H new ATOM 0 HB ILE B 35 5.562 11.423 -12.216 1.00 0.00 H new ATOM 0 HG12 ILE B 35 7.748 10.649 -10.251 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.735 10.225 -11.951 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.830 13.009 -10.348 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.306 12.099 -10.222 1.00 0.00 H new ATOM 0 HG23 ILE B 35 5.690 11.665 -9.190 1.00 0.00 H new ATOM 0 HD11 ILE B 35 9.173 12.163 -11.543 1.00 0.00 H new ATOM 0 HD12 ILE B 35 7.787 12.619 -12.562 1.00 0.00 H new ATOM 0 HD13 ILE B 35 7.801 13.049 -10.836 1.00 0.00 H new ATOM 1668 N VAL B 36 3.082 9.470 -9.994 1.00 0.00 N ATOM 1669 CA VAL B 36 1.629 9.483 -9.957 1.00 0.00 C ATOM 1670 C VAL B 36 1.115 10.636 -9.098 1.00 0.00 C ATOM 1671 O VAL B 36 1.429 10.733 -7.909 1.00 0.00 O ATOM 1672 CB VAL B 36 1.061 8.151 -9.417 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -0.460 8.172 -9.417 1.00 0.00 C ATOM 1674 CG2 VAL B 36 1.578 6.976 -10.232 1.00 0.00 C ATOM 0 H VAL B 36 3.523 9.230 -9.106 1.00 0.00 H new ATOM 0 HA VAL B 36 1.287 9.617 -10.983 1.00 0.00 H new ATOM 0 HB VAL B 36 1.401 8.031 -8.388 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.837 7.224 -9.033 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.813 8.986 -8.784 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.822 8.321 -10.434 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.166 6.048 -9.835 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.273 7.092 -11.272 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.666 6.944 -10.174 1.00 0.00 H new ATOM 1684 N HIS B 37 0.330 11.508 -9.714 1.00 0.00 N ATOM 1685 CA HIS B 37 -0.279 12.624 -9.007 1.00 0.00 C ATOM 1686 C HIS B 37 -1.569 12.155 -8.339 1.00 0.00 C ATOM 1687 O HIS B 37 -2.562 11.875 -9.014 1.00 0.00 O ATOM 1688 CB HIS B 37 -0.575 13.764 -9.989 1.00 0.00 C ATOM 1689 CG HIS B 37 -0.784 15.100 -9.339 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -1.878 15.361 -8.549 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -0.011 16.210 -9.404 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -1.746 16.619 -8.156 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -0.631 17.171 -8.649 1.00 0.00 N ATOM 0 H HIS B 37 0.099 11.463 -10.707 1.00 0.00 H new ATOM 0 HA HIS B 37 0.407 12.991 -8.244 1.00 0.00 H new ATOM 0 HB2 HIS B 37 0.251 13.842 -10.696 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.465 13.510 -10.565 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.916 16.317 -9.947 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -2.449 17.134 -7.518 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -0.305 18.125 -8.493 1.00 0.00 H new ATOM 1701 N LEU B 38 -1.548 12.047 -7.018 1.00 0.00 N ATOM 1702 CA LEU B 38 -2.697 11.542 -6.277 1.00 0.00 C ATOM 1703 C LEU B 38 -3.754 12.624 -6.101 1.00 0.00 C ATOM 1704 O LEU B 38 -4.936 12.327 -5.942 1.00 0.00 O ATOM 1705 CB LEU B 38 -2.263 11.002 -4.912 1.00 0.00 C ATOM 1706 CG LEU B 38 -1.286 9.824 -4.960 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -0.941 9.360 -3.555 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -1.871 8.676 -5.766 1.00 0.00 C ATOM 0 H LEU B 38 -0.749 12.302 -6.437 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.134 10.727 -6.854 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -1.803 11.813 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -3.152 10.695 -4.361 1.00 0.00 H new ATOM 0 HG LEU B 38 -0.371 10.159 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -0.246 8.522 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.480 10.180 -3.004 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.850 9.045 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.162 7.849 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -2.801 8.344 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.070 9.011 -6.784 1.00 0.00 H new ATOM 1720 N GLY B 39 -3.330 13.879 -6.159 1.00 0.00 N ATOM 1721 CA GLY B 39 -4.254 14.986 -5.989 1.00 0.00 C ATOM 1722 C GLY B 39 -4.968 15.342 -7.279 1.00 0.00 C ATOM 1723 O GLY B 39 -5.073 16.515 -7.636 1.00 0.00 O ATOM 0 H GLY B 39 -2.361 14.152 -6.321 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -4.990 14.728 -5.228 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -3.710 15.858 -5.625 1.00 0.00 H new ATOM 1727 N THR B 40 -5.446 14.325 -7.979 1.00 0.00 N ATOM 1728 CA THR B 40 -6.147 14.515 -9.240 1.00 0.00 C ATOM 1729 C THR B 40 -7.322 13.546 -9.349 1.00 0.00 C ATOM 1730 O THR B 40 -8.459 13.953 -9.593 1.00 0.00 O ATOM 1731 CB THR B 40 -5.202 14.313 -10.445 1.00 0.00 C ATOM 1732 OG1 THR B 40 -4.098 15.227 -10.368 1.00 0.00 O ATOM 1733 CG2 THR B 40 -5.939 14.525 -11.759 1.00 0.00 C ATOM 0 H THR B 40 -5.360 13.350 -7.692 1.00 0.00 H new ATOM 0 HA THR B 40 -6.518 15.540 -9.257 1.00 0.00 H new ATOM 0 HB THR B 40 -4.832 13.288 -10.411 1.00 0.00 H new ATOM 0 HG1 THR B 40 -3.520 14.979 -9.616 1.00 0.00 H new ATOM 0 HG21 THR B 40 -5.250 14.377 -12.591 1.00 0.00 H new ATOM 0 HG22 THR B 40 -6.759 13.811 -11.835 1.00 0.00 H new ATOM 0 HG23 THR B 40 -6.336 15.539 -11.794 1.00 0.00 H new ATOM 1741 N ASP B 41 -7.044 12.264 -9.151 1.00 0.00 N ATOM 1742 CA ASP B 41 -8.071 11.236 -9.251 1.00 0.00 C ATOM 1743 C ASP B 41 -8.280 10.578 -7.892 1.00 0.00 C ATOM 1744 O ASP B 41 -7.317 10.191 -7.229 1.00 0.00 O ATOM 1745 CB ASP B 41 -7.669 10.191 -10.295 1.00 0.00 C ATOM 1746 CG ASP B 41 -8.766 9.183 -10.581 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -9.027 8.318 -9.727 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -9.358 9.244 -11.676 1.00 0.00 O ATOM 0 H ASP B 41 -6.115 11.911 -8.920 1.00 0.00 H new ATOM 0 HA ASP B 41 -9.008 11.697 -9.565 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -7.398 10.697 -11.222 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -6.780 9.663 -9.949 1.00 0.00 H new ATOM 1753 N LYS B 42 -9.535 10.453 -7.485 1.00 0.00 N ATOM 1754 CA LYS B 42 -9.868 9.957 -6.152 1.00 0.00 C ATOM 1755 C LYS B 42 -9.548 8.471 -5.991 1.00 0.00 C ATOM 1756 O LYS B 42 -9.271 8.008 -4.883 1.00 0.00 O ATOM 1757 CB LYS B 42 -11.346 10.209 -5.847 1.00 0.00 C ATOM 1758 CG LYS B 42 -11.707 11.684 -5.749 1.00 0.00 C ATOM 1759 CD LYS B 42 -10.967 12.365 -4.609 1.00 0.00 C ATOM 1760 CE LYS B 42 -11.348 13.833 -4.480 1.00 0.00 C ATOM 1761 NZ LYS B 42 -12.793 14.012 -4.170 1.00 0.00 N ATOM 0 H LYS B 42 -10.344 10.689 -8.059 1.00 0.00 H new ATOM 0 HA LYS B 42 -9.249 10.504 -5.441 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -11.953 9.746 -6.626 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -11.603 9.718 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -11.467 12.182 -6.689 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -12.782 11.787 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -11.187 11.850 -3.674 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -9.893 12.282 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -10.749 14.295 -3.695 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -11.110 14.352 -5.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -12.966 14.994 -3.875 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -13.359 13.800 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -13.066 13.367 -3.401 1.00 0.00 H new ATOM 1775 N ALA B 43 -9.559 7.726 -7.088 1.00 0.00 N ATOM 1776 CA ALA B 43 -9.324 6.289 -7.024 1.00 0.00 C ATOM 1777 C ALA B 43 -7.846 5.990 -6.806 1.00 0.00 C ATOM 1778 O ALA B 43 -7.486 4.924 -6.301 1.00 0.00 O ATOM 1779 CB ALA B 43 -9.825 5.607 -8.286 1.00 0.00 C ATOM 0 H ALA B 43 -9.727 8.089 -8.026 1.00 0.00 H new ATOM 0 HA ALA B 43 -9.880 5.893 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -9.640 4.535 -8.218 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -10.895 5.785 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -9.300 6.012 -9.151 1.00 0.00 H new ATOM 1785 N ARG B 44 -7.001 6.953 -7.169 1.00 0.00 N ATOM 1786 CA ARG B 44 -5.553 6.820 -7.017 1.00 0.00 C ATOM 1787 C ARG B 44 -5.180 6.674 -5.546 1.00 0.00 C ATOM 1788 O ARG B 44 -4.221 5.984 -5.198 1.00 0.00 O ATOM 1789 CB ARG B 44 -4.843 8.043 -7.599 1.00 0.00 C ATOM 1790 CG ARG B 44 -5.163 8.323 -9.059 1.00 0.00 C ATOM 1791 CD ARG B 44 -4.098 7.788 -10.004 1.00 0.00 C ATOM 1792 NE ARG B 44 -4.121 6.331 -10.128 1.00 0.00 N ATOM 1793 CZ ARG B 44 -3.578 5.665 -11.148 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -2.994 6.324 -12.144 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -3.629 4.343 -11.178 1.00 0.00 N ATOM 0 H ARG B 44 -7.297 7.841 -7.574 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.237 5.927 -7.556 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -5.111 8.918 -7.007 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -3.767 7.906 -7.496 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -6.124 7.874 -9.309 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -5.266 9.398 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -4.238 8.233 -10.989 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -3.116 8.101 -9.650 1.00 0.00 H new ATOM 0 HE ARG B 44 -4.579 5.793 -9.392 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -2.960 7.343 -12.130 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -2.580 5.810 -12.922 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -4.084 3.833 -10.421 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -3.214 3.834 -11.958 1.00 0.00 H new ATOM 1809 N ILE B 45 -5.956 7.329 -4.687 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.713 7.313 -3.248 1.00 0.00 C ATOM 1811 C ILE B 45 -5.787 5.889 -2.701 1.00 0.00 C ATOM 1812 O ILE B 45 -4.890 5.441 -1.984 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.738 8.201 -2.506 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -6.699 9.627 -3.061 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -6.461 8.202 -1.005 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -7.774 10.531 -2.495 1.00 0.00 C ATOM 0 H ILE B 45 -6.766 7.882 -4.966 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.712 7.709 -3.079 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.735 7.791 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.722 10.063 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -6.803 9.588 -4.145 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -7.193 8.833 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.533 7.184 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.459 8.590 -0.820 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -7.683 11.524 -2.935 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -8.756 10.119 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -7.658 10.601 -1.413 1.00 0.00 H new ATOM 1828 N ALA B 46 -6.847 5.179 -3.069 1.00 0.00 N ATOM 1829 CA ALA B 46 -7.055 3.811 -2.605 1.00 0.00 C ATOM 1830 C ALA B 46 -5.932 2.896 -3.076 1.00 0.00 C ATOM 1831 O ALA B 46 -5.499 2.004 -2.347 1.00 0.00 O ATOM 1832 CB ALA B 46 -8.399 3.292 -3.088 1.00 0.00 C ATOM 0 H ALA B 46 -7.578 5.528 -3.689 1.00 0.00 H new ATOM 0 HA ALA B 46 -7.050 3.817 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -8.543 2.271 -2.736 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.195 3.926 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -8.424 3.307 -4.178 1.00 0.00 H new ATOM 1838 N GLU B 47 -5.457 3.134 -4.294 1.00 0.00 N ATOM 1839 CA GLU B 47 -4.374 2.345 -4.865 1.00 0.00 C ATOM 1840 C GLU B 47 -3.104 2.511 -4.039 1.00 0.00 C ATOM 1841 O GLU B 47 -2.420 1.537 -3.719 1.00 0.00 O ATOM 1842 CB GLU B 47 -4.116 2.773 -6.312 1.00 0.00 C ATOM 1843 CG GLU B 47 -5.322 2.605 -7.218 1.00 0.00 C ATOM 1844 CD GLU B 47 -5.092 3.165 -8.606 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -4.592 2.429 -9.481 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -5.416 4.348 -8.835 1.00 0.00 O ATOM 0 H GLU B 47 -5.808 3.871 -4.906 1.00 0.00 H new ATOM 0 HA GLU B 47 -4.666 1.295 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -3.806 3.818 -6.324 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -3.287 2.190 -6.713 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -5.570 1.546 -7.294 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -6.182 3.102 -6.768 1.00 0.00 H new ATOM 1853 N ALA B 48 -2.813 3.755 -3.677 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.618 4.073 -2.913 1.00 0.00 C ATOM 1855 C ALA B 48 -1.664 3.448 -1.521 1.00 0.00 C ATOM 1856 O ALA B 48 -0.682 2.854 -1.071 1.00 0.00 O ATOM 1857 CB ALA B 48 -1.440 5.580 -2.817 1.00 0.00 C ATOM 0 H ALA B 48 -3.394 4.563 -3.903 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.761 3.650 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.541 5.804 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.344 6.000 -3.818 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -2.306 6.018 -2.321 1.00 0.00 H new ATOM 1863 N GLU B 49 -2.807 3.564 -0.849 1.00 0.00 N ATOM 1864 CA GLU B 49 -2.952 3.016 0.498 1.00 0.00 C ATOM 1865 C GLU B 49 -2.731 1.506 0.503 1.00 0.00 C ATOM 1866 O GLU B 49 -2.084 0.971 1.405 1.00 0.00 O ATOM 1867 CB GLU B 49 -4.324 3.345 1.091 1.00 0.00 C ATOM 1868 CG GLU B 49 -4.574 4.834 1.270 1.00 0.00 C ATOM 1869 CD GLU B 49 -5.699 5.124 2.242 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -6.879 4.935 1.881 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -5.410 5.535 3.385 1.00 0.00 O ATOM 0 H GLU B 49 -3.640 4.028 -1.211 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.188 3.484 1.119 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -5.098 2.931 0.444 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.419 2.851 2.058 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.661 5.312 1.624 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -4.811 5.277 0.303 1.00 0.00 H new ATOM 1878 N LYS B 50 -3.245 0.829 -0.519 1.00 0.00 N ATOM 1879 CA LYS B 50 -3.093 -0.620 -0.638 1.00 0.00 C ATOM 1880 C LYS B 50 -1.638 -1.002 -0.901 1.00 0.00 C ATOM 1881 O LYS B 50 -1.186 -2.080 -0.510 1.00 0.00 O ATOM 1882 CB LYS B 50 -3.984 -1.158 -1.760 1.00 0.00 C ATOM 1883 CG LYS B 50 -5.470 -1.024 -1.473 1.00 0.00 C ATOM 1884 CD LYS B 50 -6.306 -1.470 -2.660 1.00 0.00 C ATOM 1885 CE LYS B 50 -7.792 -1.360 -2.370 1.00 0.00 C ATOM 1886 NZ LYS B 50 -8.617 -1.788 -3.531 1.00 0.00 N ATOM 0 H LYS B 50 -3.772 1.260 -1.279 1.00 0.00 H new ATOM 0 HA LYS B 50 -3.399 -1.067 0.308 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -3.751 -0.628 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -3.748 -2.209 -1.928 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -5.729 -1.622 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -5.703 0.013 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -6.058 -0.861 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.059 -2.501 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.039 -1.973 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -8.036 -0.330 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -9.625 -1.698 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -8.400 -1.187 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -8.403 -2.779 -3.762 1.00 0.00 H new ATOM 1900 N ALA B 51 -0.904 -0.110 -1.556 1.00 0.00 N ATOM 1901 CA ALA B 51 0.504 -0.348 -1.859 1.00 0.00 C ATOM 1902 C ALA B 51 1.378 -0.146 -0.622 1.00 0.00 C ATOM 1903 O ALA B 51 2.564 -0.485 -0.621 1.00 0.00 O ATOM 1904 CB ALA B 51 0.963 0.566 -2.987 1.00 0.00 C ATOM 0 H ALA B 51 -1.260 0.786 -1.888 1.00 0.00 H new ATOM 0 HA ALA B 51 0.609 -1.385 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA B 51 2.015 0.378 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA B 51 0.369 0.369 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA B 51 0.834 1.606 -2.688 1.00 0.00 H new ATOM 1910 N GLY B 52 0.784 0.405 0.429 1.00 0.00 N ATOM 1911 CA GLY B 52 1.514 0.637 1.659 1.00 0.00 C ATOM 1912 C GLY B 52 1.806 2.106 1.885 1.00 0.00 C ATOM 1913 O GLY B 52 2.433 2.477 2.877 1.00 0.00 O ATOM 0 H GLY B 52 -0.193 0.696 0.451 1.00 0.00 H new ATOM 0 HA2 GLY B 52 0.938 0.250 2.499 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.452 0.082 1.633 1.00 0.00 H new ATOM 1917 N VAL B 53 1.346 2.944 0.966 1.00 0.00 N ATOM 1918 CA VAL B 53 1.572 4.378 1.056 1.00 0.00 C ATOM 1919 C VAL B 53 0.645 4.997 2.096 1.00 0.00 C ATOM 1920 O VAL B 53 -0.565 5.093 1.892 1.00 0.00 O ATOM 1921 CB VAL B 53 1.362 5.068 -0.311 1.00 0.00 C ATOM 1922 CG1 VAL B 53 1.622 6.563 -0.216 1.00 0.00 C ATOM 1923 CG2 VAL B 53 2.253 4.435 -1.368 1.00 0.00 C ATOM 0 H VAL B 53 0.812 2.653 0.147 1.00 0.00 H new ATOM 0 HA VAL B 53 2.607 4.532 1.360 1.00 0.00 H new ATOM 0 HB VAL B 53 0.322 4.928 -0.604 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.467 7.022 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL B 53 0.937 7.006 0.507 1.00 0.00 H new ATOM 0 HG13 VAL B 53 2.649 6.734 0.106 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.093 4.933 -2.324 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.297 4.541 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.009 3.377 -1.464 1.00 0.00 H new ATOM 1933 N LYS B 54 1.220 5.394 3.223 1.00 0.00 N ATOM 1934 CA LYS B 54 0.448 5.986 4.306 1.00 0.00 C ATOM 1935 C LYS B 54 0.589 7.504 4.312 1.00 0.00 C ATOM 1936 O LYS B 54 -0.147 8.207 5.007 1.00 0.00 O ATOM 1937 CB LYS B 54 0.881 5.396 5.649 1.00 0.00 C ATOM 1938 CG LYS B 54 0.506 3.932 5.805 1.00 0.00 C ATOM 1939 CD LYS B 54 1.055 3.344 7.093 1.00 0.00 C ATOM 1940 CE LYS B 54 0.564 1.919 7.305 1.00 0.00 C ATOM 1941 NZ LYS B 54 0.902 1.032 6.160 1.00 0.00 N ATOM 0 H LYS B 54 2.220 5.317 3.411 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.604 5.750 4.146 1.00 0.00 H new ATOM 0 HB2 LYS B 54 1.961 5.502 5.754 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.424 5.970 6.455 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -0.579 3.831 5.793 1.00 0.00 H new ATOM 0 HG3 LYS B 54 0.888 3.366 4.955 1.00 0.00 H new ATOM 0 HD2 LYS B 54 2.145 3.355 7.065 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.752 3.964 7.936 1.00 0.00 H new ATOM 0 HE2 LYS B 54 1.005 1.516 8.217 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -0.516 1.927 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 0.719 0.042 6.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 0.317 1.287 5.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.907 1.146 5.918 1.00 0.00 H new ATOM 1955 N SER B 55 1.541 8.010 3.548 1.00 0.00 N ATOM 1956 CA SER B 55 1.693 9.443 3.386 1.00 0.00 C ATOM 1957 C SER B 55 2.116 9.781 1.959 1.00 0.00 C ATOM 1958 O SER B 55 2.839 9.016 1.324 1.00 0.00 O ATOM 1959 CB SER B 55 2.721 9.977 4.389 1.00 0.00 C ATOM 1960 OG SER B 55 2.322 9.688 5.721 1.00 0.00 O ATOM 0 H SER B 55 2.219 7.450 3.031 1.00 0.00 H new ATOM 0 HA SER B 55 0.732 9.920 3.578 1.00 0.00 H new ATOM 0 HB2 SER B 55 3.695 9.530 4.191 1.00 0.00 H new ATOM 0 HB3 SER B 55 2.833 11.054 4.264 1.00 0.00 H new ATOM 0 HG SER B 55 2.992 10.036 6.346 1.00 0.00 H new ATOM 1966 N VAL B 56 1.638 10.911 1.449 1.00 0.00 N ATOM 1967 CA VAL B 56 2.088 11.403 0.159 1.00 0.00 C ATOM 1968 C VAL B 56 3.481 12.028 0.319 1.00 0.00 C ATOM 1969 O VAL B 56 3.981 12.096 1.447 1.00 0.00 O ATOM 1970 CB VAL B 56 1.076 12.375 -0.489 1.00 0.00 C ATOM 1971 CG1 VAL B 56 -0.159 11.620 -0.950 1.00 0.00 C ATOM 1972 CG2 VAL B 56 0.684 13.480 0.464 1.00 0.00 C ATOM 0 H VAL B 56 0.943 11.498 1.909 1.00 0.00 H new ATOM 0 HA VAL B 56 2.157 10.563 -0.532 1.00 0.00 H new ATOM 0 HB VAL B 56 1.559 12.832 -1.353 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -0.863 12.317 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL B 56 0.128 10.865 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.629 11.135 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.028 14.145 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL B 56 0.226 13.048 1.354 1.00 0.00 H new ATOM 0 HG23 VAL B 56 1.571 14.045 0.750 1.00 0.00 H new ATOM 1982 N PRO B 57 4.019 12.709 -0.715 1.00 0.00 N ATOM 1983 CA PRO B 57 5.378 12.527 -1.174 1.00 0.00 C ATOM 1984 C PRO B 57 6.082 11.292 -0.615 1.00 0.00 C ATOM 1985 O PRO B 57 6.669 11.303 0.463 1.00 0.00 O ATOM 1986 CB PRO B 57 5.965 13.860 -0.757 1.00 0.00 C ATOM 1987 CG PRO B 57 4.833 14.821 -1.056 1.00 0.00 C ATOM 1988 CD PRO B 57 3.572 13.974 -1.254 1.00 0.00 C ATOM 0 HA PRO B 57 5.480 12.308 -2.237 1.00 0.00 H new ATOM 0 HB2 PRO B 57 6.239 13.871 0.298 1.00 0.00 H new ATOM 0 HB3 PRO B 57 6.864 14.103 -1.323 1.00 0.00 H new ATOM 0 HG2 PRO B 57 4.699 15.527 -0.237 1.00 0.00 H new ATOM 0 HG3 PRO B 57 5.049 15.407 -1.950 1.00 0.00 H new ATOM 0 HD2 PRO B 57 2.714 14.375 -0.714 1.00 0.00 H new ATOM 0 HD3 PRO B 57 3.283 13.899 -2.302 1.00 0.00 H new ATOM 1996 N ALA B 58 5.984 10.214 -1.394 1.00 0.00 N ATOM 1997 CA ALA B 58 6.585 8.932 -1.057 1.00 0.00 C ATOM 1998 C ALA B 58 7.067 8.226 -2.321 1.00 0.00 C ATOM 1999 O ALA B 58 6.505 8.422 -3.400 1.00 0.00 O ATOM 2000 CB ALA B 58 5.586 8.057 -0.317 1.00 0.00 C ATOM 0 H ALA B 58 5.481 10.210 -2.281 1.00 0.00 H new ATOM 0 HA ALA B 58 7.441 9.111 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.050 7.102 -0.072 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.276 8.556 0.601 1.00 0.00 H new ATOM 0 HB3 ALA B 58 4.715 7.885 -0.949 1.00 0.00 H new ATOM 2006 N LEU B 59 8.101 7.411 -2.182 1.00 0.00 N ATOM 2007 CA LEU B 59 8.686 6.695 -3.308 1.00 0.00 C ATOM 2008 C LEU B 59 8.670 5.190 -3.049 1.00 0.00 C ATOM 2009 O LEU B 59 9.262 4.712 -2.083 1.00 0.00 O ATOM 2010 CB LEU B 59 10.123 7.177 -3.525 1.00 0.00 C ATOM 2011 CG LEU B 59 10.897 6.491 -4.652 1.00 0.00 C ATOM 2012 CD1 LEU B 59 10.288 6.820 -6.005 1.00 0.00 C ATOM 2013 CD2 LEU B 59 12.358 6.906 -4.608 1.00 0.00 C ATOM 0 H LEU B 59 8.558 7.227 -1.289 1.00 0.00 H new ATOM 0 HA LEU B 59 8.097 6.895 -4.203 1.00 0.00 H new ATOM 0 HB2 LEU B 59 10.099 8.248 -3.727 1.00 0.00 H new ATOM 0 HB3 LEU B 59 10.676 7.040 -2.596 1.00 0.00 H new ATOM 0 HG LEU B 59 10.834 5.412 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU B 59 10.855 6.321 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU B 59 9.253 6.478 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU B 59 10.318 7.898 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU B 59 12.901 6.412 -5.414 1.00 0.00 H new ATOM 0 HD22 LEU B 59 12.433 7.987 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU B 59 12.790 6.617 -3.650 1.00 0.00 H new ATOM 2025 N VAL B 60 7.988 4.446 -3.906 1.00 0.00 N ATOM 2026 CA VAL B 60 7.898 3.000 -3.759 1.00 0.00 C ATOM 2027 C VAL B 60 8.820 2.304 -4.755 1.00 0.00 C ATOM 2028 O VAL B 60 8.530 2.246 -5.950 1.00 0.00 O ATOM 2029 CB VAL B 60 6.452 2.498 -3.958 1.00 0.00 C ATOM 2030 CG1 VAL B 60 6.365 0.997 -3.730 1.00 0.00 C ATOM 2031 CG2 VAL B 60 5.497 3.234 -3.031 1.00 0.00 C ATOM 0 H VAL B 60 7.488 4.820 -4.712 1.00 0.00 H new ATOM 0 HA VAL B 60 8.209 2.757 -2.743 1.00 0.00 H new ATOM 0 HB VAL B 60 6.160 2.704 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL B 60 5.337 0.666 -3.876 1.00 0.00 H new ATOM 0 HG12 VAL B 60 7.015 0.483 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL B 60 6.680 0.765 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL B 60 4.483 2.866 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL B 60 5.791 3.062 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL B 60 5.532 4.302 -3.246 1.00 0.00 H new ATOM 2041 N ILE B 61 9.929 1.782 -4.256 1.00 0.00 N ATOM 2042 CA ILE B 61 10.922 1.129 -5.100 1.00 0.00 C ATOM 2043 C ILE B 61 10.778 -0.387 -5.032 1.00 0.00 C ATOM 2044 O ILE B 61 11.137 -1.004 -4.026 1.00 0.00 O ATOM 2045 CB ILE B 61 12.360 1.513 -4.682 1.00 0.00 C ATOM 2046 CG1 ILE B 61 12.526 3.036 -4.671 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.374 0.872 -5.623 1.00 0.00 C ATOM 2048 CD1 ILE B 61 13.880 3.496 -4.174 1.00 0.00 C ATOM 0 H ILE B 61 10.167 1.797 -3.264 1.00 0.00 H new ATOM 0 HA ILE B 61 10.746 1.469 -6.120 1.00 0.00 H new ATOM 0 HB ILE B 61 12.540 1.140 -3.674 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.370 3.417 -5.680 1.00 0.00 H new ATOM 0 HG13 ILE B 61 11.750 3.473 -4.042 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.382 1.151 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.271 -0.212 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE B 61 13.195 1.218 -6.641 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.924 4.585 -4.194 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.031 3.146 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.661 3.089 -4.816 1.00 0.00 H new ATOM 2060 N ASP B 62 10.227 -0.974 -6.094 1.00 0.00 N ATOM 2061 CA ASP B 62 10.103 -2.433 -6.221 1.00 0.00 C ATOM 2062 C ASP B 62 9.279 -3.026 -5.070 1.00 0.00 C ATOM 2063 O ASP B 62 9.380 -4.210 -4.749 1.00 0.00 O ATOM 2064 CB ASP B 62 11.505 -3.068 -6.283 1.00 0.00 C ATOM 2065 CG ASP B 62 11.484 -4.535 -6.674 1.00 0.00 C ATOM 2066 OD1 ASP B 62 11.050 -4.850 -7.802 1.00 0.00 O ATOM 2067 OD2 ASP B 62 11.913 -5.381 -5.860 1.00 0.00 O ATOM 0 H ASP B 62 9.854 -0.457 -6.890 1.00 0.00 H new ATOM 0 HA ASP B 62 9.572 -2.658 -7.146 1.00 0.00 H new ATOM 0 HB2 ASP B 62 12.114 -2.517 -6.999 1.00 0.00 H new ATOM 0 HB3 ASP B 62 11.986 -2.965 -5.310 1.00 0.00 H new ATOM 2072 N GLY B 63 8.444 -2.193 -4.460 1.00 0.00 N ATOM 2073 CA GLY B 63 7.620 -2.646 -3.358 1.00 0.00 C ATOM 2074 C GLY B 63 7.974 -1.961 -2.053 1.00 0.00 C ATOM 2075 O GLY B 63 7.133 -1.833 -1.160 1.00 0.00 O ATOM 0 H GLY B 63 8.324 -1.211 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY B 63 6.572 -2.459 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY B 63 7.733 -3.724 -3.242 1.00 0.00 H new ATOM 2079 N ALA B 64 9.211 -1.503 -1.945 1.00 0.00 N ATOM 2080 CA ALA B 64 9.683 -0.847 -0.733 1.00 0.00 C ATOM 2081 C ALA B 64 9.293 0.625 -0.738 1.00 0.00 C ATOM 2082 O ALA B 64 9.788 1.404 -1.555 1.00 0.00 O ATOM 2083 CB ALA B 64 11.184 -1.013 -0.587 1.00 0.00 C ATOM 0 H ALA B 64 9.910 -1.573 -2.685 1.00 0.00 H new ATOM 0 HA ALA B 64 9.207 -1.320 0.126 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.518 -0.516 0.324 1.00 0.00 H new ATOM 0 HB2 ALA B 64 11.429 -2.074 -0.533 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.685 -0.568 -1.447 1.00 0.00 H new ATOM 2089 N ALA B 65 8.397 0.995 0.164 1.00 0.00 N ATOM 2090 CA ALA B 65 7.873 2.349 0.210 1.00 0.00 C ATOM 2091 C ALA B 65 8.684 3.233 1.146 1.00 0.00 C ATOM 2092 O ALA B 65 8.678 3.044 2.364 1.00 0.00 O ATOM 2093 CB ALA B 65 6.412 2.328 0.634 1.00 0.00 C ATOM 0 H ALA B 65 8.017 0.372 0.877 1.00 0.00 H new ATOM 0 HA ALA B 65 7.950 2.773 -0.791 1.00 0.00 H new ATOM 0 HB1 ALA B 65 6.028 3.347 0.666 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.834 1.744 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.327 1.877 1.623 1.00 0.00 H new ATOM 2099 N PHE B 66 9.388 4.193 0.567 1.00 0.00 N ATOM 2100 CA PHE B 66 10.146 5.166 1.336 1.00 0.00 C ATOM 2101 C PHE B 66 9.532 6.545 1.158 1.00 0.00 C ATOM 2102 O PHE B 66 9.568 7.105 0.065 1.00 0.00 O ATOM 2103 CB PHE B 66 11.610 5.200 0.884 1.00 0.00 C ATOM 2104 CG PHE B 66 12.298 3.867 0.930 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.750 3.345 2.131 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.502 3.144 -0.232 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.393 2.122 2.170 1.00 0.00 C ATOM 2108 CE2 PHE B 66 13.143 1.921 -0.199 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.589 1.410 1.003 1.00 0.00 C ATOM 0 H PHE B 66 9.450 4.319 -0.443 1.00 0.00 H new ATOM 0 HA PHE B 66 10.113 4.876 2.386 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.655 5.585 -0.135 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.157 5.901 1.514 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.599 3.899 3.046 1.00 0.00 H new ATOM 0 HD2 PHE B 66 12.156 3.540 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.742 1.724 3.112 1.00 0.00 H new ATOM 0 HE2 PHE B 66 13.295 1.365 -1.113 1.00 0.00 H new ATOM 0 HZ PHE B 66 14.091 0.454 1.031 1.00 0.00 H new ATOM 2119 N HIS B 67 8.949 7.083 2.218 1.00 0.00 N ATOM 2120 CA HIS B 67 8.362 8.415 2.162 1.00 0.00 C ATOM 2121 C HIS B 67 9.454 9.458 1.936 1.00 0.00 C ATOM 2122 O HIS B 67 10.469 9.471 2.637 1.00 0.00 O ATOM 2123 CB HIS B 67 7.580 8.718 3.445 1.00 0.00 C ATOM 2124 CG HIS B 67 6.399 7.815 3.657 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.420 6.694 4.458 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.140 7.890 3.155 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.202 6.135 4.419 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.385 6.822 3.640 1.00 0.00 N ATOM 0 H HIS B 67 8.869 6.621 3.124 1.00 0.00 H new ATOM 0 HA HIS B 67 7.663 8.454 1.326 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.252 8.630 4.299 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.236 9.752 3.415 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.221 6.350 4.987 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.779 8.656 2.485 1.00 0.00 H new ATOM 0 HE1 HIS B 67 4.925 5.239 4.955 1.00 0.00 H new ATOM 2136 N ILE B 68 9.248 10.316 0.949 1.00 0.00 N ATOM 2137 CA ILE B 68 10.253 11.293 0.563 1.00 0.00 C ATOM 2138 C ILE B 68 9.995 12.613 1.264 1.00 0.00 C ATOM 2139 O ILE B 68 9.164 13.414 0.828 1.00 0.00 O ATOM 2140 CB ILE B 68 10.288 11.511 -0.968 1.00 0.00 C ATOM 2141 CG1 ILE B 68 10.604 10.195 -1.684 1.00 0.00 C ATOM 2142 CG2 ILE B 68 11.312 12.578 -1.339 1.00 0.00 C ATOM 2143 CD1 ILE B 68 11.933 9.581 -1.285 1.00 0.00 C ATOM 0 H ILE B 68 8.390 10.355 0.399 1.00 0.00 H new ATOM 0 HA ILE B 68 11.224 10.900 0.866 1.00 0.00 H new ATOM 0 HB ILE B 68 9.305 11.856 -1.288 1.00 0.00 H new ATOM 0 HG12 ILE B 68 9.808 9.480 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE B 68 10.604 10.369 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE B 68 11.319 12.715 -2.420 1.00 0.00 H new ATOM 0 HG22 ILE B 68 11.048 13.519 -0.856 1.00 0.00 H new ATOM 0 HG23 ILE B 68 12.301 12.264 -1.006 1.00 0.00 H new ATOM 0 HD11 ILE B 68 12.084 8.652 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE B 68 12.740 10.276 -1.518 1.00 0.00 H new ATOM 0 HD13 ILE B 68 11.931 9.373 -0.215 1.00 0.00 H new ATOM 2155 N ASN B 69 10.705 12.808 2.368 1.00 0.00 N ATOM 2156 CA ASN B 69 10.536 13.974 3.227 1.00 0.00 C ATOM 2157 C ASN B 69 9.167 13.918 3.890 1.00 0.00 C ATOM 2158 O ASN B 69 8.449 12.924 3.769 1.00 0.00 O ATOM 2159 CB ASN B 69 10.706 15.280 2.442 1.00 0.00 C ATOM 2160 CG ASN B 69 11.497 16.317 3.214 1.00 0.00 C ATOM 2161 OD1 ASN B 69 11.523 16.307 4.444 1.00 0.00 O ATOM 2162 ND2 ASN B 69 12.151 17.215 2.496 1.00 0.00 N ATOM 0 H ASN B 69 11.419 12.157 2.695 1.00 0.00 H new ATOM 0 HA ASN B 69 11.311 13.956 3.994 1.00 0.00 H new ATOM 0 HB2 ASN B 69 11.210 15.071 1.498 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.724 15.684 2.197 1.00 0.00 H new ATOM 0 HD21 ASN B 69 12.704 17.935 2.961 1.00 0.00 H new ATOM 0 HD22 ASN B 69 12.102 17.187 1.478 1.00 0.00 H new ATOM 2169 N PHE B 70 8.805 14.961 4.609 1.00 0.00 N ATOM 2170 CA PHE B 70 7.492 15.016 5.214 1.00 0.00 C ATOM 2171 C PHE B 70 6.518 15.687 4.257 1.00 0.00 C ATOM 2172 O PHE B 70 6.430 16.917 4.207 1.00 0.00 O ATOM 2173 CB PHE B 70 7.533 15.759 6.553 1.00 0.00 C ATOM 2174 CG PHE B 70 6.241 15.689 7.321 1.00 0.00 C ATOM 2175 CD1 PHE B 70 5.915 14.553 8.046 1.00 0.00 C ATOM 2176 CD2 PHE B 70 5.353 16.753 7.315 1.00 0.00 C ATOM 2177 CE1 PHE B 70 4.729 14.481 8.750 1.00 0.00 C ATOM 2178 CE2 PHE B 70 4.166 16.686 8.018 1.00 0.00 C ATOM 2179 CZ PHE B 70 3.853 15.550 8.737 1.00 0.00 C ATOM 0 H PHE B 70 9.395 15.774 4.787 1.00 0.00 H new ATOM 0 HA PHE B 70 7.155 13.999 5.412 1.00 0.00 H new ATOM 0 HB2 PHE B 70 8.333 15.343 7.165 1.00 0.00 H new ATOM 0 HB3 PHE B 70 7.782 16.805 6.371 1.00 0.00 H new ATOM 0 HD1 PHE B 70 6.596 13.715 8.060 1.00 0.00 H new ATOM 0 HD2 PHE B 70 5.592 17.645 6.754 1.00 0.00 H new ATOM 0 HE1 PHE B 70 4.486 13.590 9.310 1.00 0.00 H new ATOM 0 HE2 PHE B 70 3.483 17.522 8.005 1.00 0.00 H new ATOM 0 HZ PHE B 70 2.926 15.497 9.288 1.00 0.00 H new ATOM 2189 N GLY B 71 5.826 14.878 3.460 1.00 0.00 N ATOM 2190 CA GLY B 71 4.836 15.410 2.570 1.00 0.00 C ATOM 2191 C GLY B 71 3.531 15.623 3.286 1.00 0.00 C ATOM 2192 O GLY B 71 3.372 16.592 4.029 1.00 0.00 O ATOM 0 H GLY B 71 5.941 13.865 3.422 1.00 0.00 H new ATOM 0 HA2 GLY B 71 5.185 16.355 2.154 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.689 14.728 1.733 1.00 0.00 H new ATOM 2196 N ALA B 72 2.583 14.737 3.054 1.00 0.00 N ATOM 2197 CA ALA B 72 1.300 14.837 3.753 1.00 0.00 C ATOM 2198 C ALA B 72 0.793 13.467 4.157 1.00 0.00 C ATOM 2199 O ALA B 72 1.193 12.470 3.576 1.00 0.00 O ATOM 2200 CB ALA B 72 0.265 15.578 2.915 1.00 0.00 C ATOM 0 H ALA B 72 2.664 13.955 2.405 1.00 0.00 H new ATOM 0 HA ALA B 72 1.464 15.417 4.661 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -0.675 15.634 3.464 1.00 0.00 H new ATOM 0 HB2 ALA B 72 0.622 16.586 2.703 1.00 0.00 H new ATOM 0 HB3 ALA B 72 0.107 15.045 1.978 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.095 13.412 5.134 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.737 12.156 5.453 1.00 0.00 C ATOM 2208 C GLY B 73 -1.809 11.835 4.433 1.00 0.00 C ATOM 2209 O GLY B 73 -2.721 12.633 4.230 1.00 0.00 O ATOM 0 H GLY B 73 -0.381 14.205 5.707 1.00 0.00 H new ATOM 0 HA2 GLY B 73 0.004 11.357 5.474 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -1.178 12.209 6.449 1.00 0.00 H new ATOM 2213 N ILE B 74 -1.711 10.679 3.784 1.00 0.00 N ATOM 2214 CA ILE B 74 -2.645 10.335 2.709 1.00 0.00 C ATOM 2215 C ILE B 74 -4.060 10.167 3.262 1.00 0.00 C ATOM 2216 O ILE B 74 -5.049 10.259 2.534 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.218 9.049 1.958 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -2.981 8.925 0.637 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.454 7.816 2.821 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -2.565 7.735 -0.197 1.00 0.00 C ATOM 0 H ILE B 74 -1.004 9.970 3.978 1.00 0.00 H new ATOM 0 HA ILE B 74 -2.630 11.159 1.995 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.152 9.118 1.742 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.048 8.853 0.849 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -2.832 9.835 0.055 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.147 6.925 2.274 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -1.871 7.897 3.738 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -3.513 7.743 3.069 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.149 7.714 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.506 7.814 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.740 6.818 0.365 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.145 9.948 4.566 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.422 9.786 5.236 1.00 0.00 C ATOM 2234 C ASP B 75 -6.185 11.108 5.271 1.00 0.00 C ATOM 2235 O ASP B 75 -7.413 11.129 5.347 1.00 0.00 O ATOM 2236 CB ASP B 75 -5.202 9.262 6.652 1.00 0.00 C ATOM 2237 CG ASP B 75 -6.497 8.886 7.330 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -7.092 7.857 6.945 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -6.924 9.611 8.248 1.00 0.00 O ATOM 0 H ASP B 75 -3.336 9.878 5.183 1.00 0.00 H new ATOM 0 HA ASP B 75 -6.019 9.064 4.679 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -4.546 8.392 6.618 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -4.692 10.022 7.243 1.00 0.00 H new ATOM 2244 N ASP B 76 -5.446 12.210 5.176 1.00 0.00 N ATOM 2245 CA ASP B 76 -6.039 13.546 5.185 1.00 0.00 C ATOM 2246 C ASP B 76 -6.892 13.757 3.941 1.00 0.00 C ATOM 2247 O ASP B 76 -7.821 14.565 3.935 1.00 0.00 O ATOM 2248 CB ASP B 76 -4.941 14.612 5.248 1.00 0.00 C ATOM 2249 CG ASP B 76 -5.487 16.015 5.429 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -5.748 16.406 6.586 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -5.639 16.740 4.421 1.00 0.00 O ATOM 0 H ASP B 76 -4.430 12.204 5.091 1.00 0.00 H new ATOM 0 HA ASP B 76 -6.673 13.636 6.067 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -4.266 14.382 6.072 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -4.351 14.573 4.332 1.00 0.00 H new ATOM 2256 N LEU B 77 -6.592 12.993 2.896 1.00 0.00 N ATOM 2257 CA LEU B 77 -7.306 13.101 1.631 1.00 0.00 C ATOM 2258 C LEU B 77 -8.731 12.560 1.753 1.00 0.00 C ATOM 2259 O LEU B 77 -9.537 12.704 0.837 1.00 0.00 O ATOM 2260 CB LEU B 77 -6.546 12.356 0.529 1.00 0.00 C ATOM 2261 CG LEU B 77 -5.123 12.859 0.265 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -4.451 12.021 -0.811 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -5.140 14.326 -0.138 1.00 0.00 C ATOM 0 H LEU B 77 -5.854 12.288 2.902 1.00 0.00 H new ATOM 0 HA LEU B 77 -7.369 14.157 1.367 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -6.498 11.300 0.793 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -7.117 12.427 -0.397 1.00 0.00 H new ATOM 0 HG LEU B 77 -4.550 12.761 1.187 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -3.441 12.393 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -4.404 10.982 -0.486 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -5.026 12.086 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -4.120 14.665 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -5.731 14.447 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -5.581 14.918 0.664 1.00 0.00 H new ATOM 2275 N LYS B 78 -9.036 11.937 2.889 1.00 0.00 N ATOM 2276 CA LYS B 78 -10.387 11.456 3.158 1.00 0.00 C ATOM 2277 C LYS B 78 -11.199 12.540 3.857 1.00 0.00 C ATOM 2278 O LYS B 78 -12.391 12.370 4.123 1.00 0.00 O ATOM 2279 CB LYS B 78 -10.362 10.204 4.039 1.00 0.00 C ATOM 2280 CG LYS B 78 -9.487 9.080 3.517 1.00 0.00 C ATOM 2281 CD LYS B 78 -9.635 7.835 4.378 1.00 0.00 C ATOM 2282 CE LYS B 78 -8.634 6.760 3.995 1.00 0.00 C ATOM 2283 NZ LYS B 78 -7.242 7.153 4.336 1.00 0.00 N ATOM 0 H LYS B 78 -8.366 11.754 3.636 1.00 0.00 H new ATOM 0 HA LYS B 78 -10.848 11.205 2.202 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -10.016 10.483 5.034 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -11.381 9.832 4.148 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -9.759 8.850 2.487 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -8.445 9.399 3.507 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -9.499 8.100 5.426 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -10.647 7.442 4.277 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -8.885 5.831 4.507 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -8.704 6.563 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -6.629 6.313 4.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -6.898 7.848 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -7.223 7.573 5.287 1.00 0.00 H new