USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=29 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: A 67 HIS : no HE2:sc= -1.14! C(o=0.36!,f=-11!) USER MOD Set 1.2: B 69 ASN : amide:sc= 1.49 K(o=0.36,f=-14!) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.747 K(o=1.6,f=-0.79) USER MOD Set 2.2: B 31 TYR OH : rot -104:sc= 0.858 USER MOD Set 3.1: B 9 HIS : no HD1:sc= -0.0572 K(o=-7.6,f=-14!) USER MOD Set 3.2: B 15 CYS SG : rot 70:sc= -7.52! USER MOD Set 4.1: A 9 HIS : no HD1:sc= 1.53 K(o=4.2,f=-3.3!) USER MOD Set 4.2: A 15 CYS SG : rot 172:sc= 0.447 USER MOD Set 4.3: A 37 HIS : no HD1:sc= 0.938 K(o=4.2,f=-1.4) USER MOD Set 4.4: A 40 THR OG1 : rot 69:sc= 1.27 USER MOD Single : A 3 SER OG : rot 130:sc= 0.85 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.825 USER MOD Single : A 12 CYS SG : rot 176:sc= -0.43 USER MOD Single : A 17 SER OG : rot 180:sc= 0.0103 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 1.03 (180deg=0.894) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.785) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0326 USER MOD Single : A 69 ASN : amide:sc= -1.62! C(o=-1.6!,f=-6.8!) USER MOD Single : A 78 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00949) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ -177:sc= 0.247 (180deg=0.239) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 CYS SG : rot 180:sc= 0.0649 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : B 24 ASN : amide:sc=-0.00488 K(o=-0.0049,f=-0.88) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ -177:sc= 1.96 (180deg=1.84) USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -3.09! K(o=-3.1!,f=-1.5) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0.125 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ -170:sc= 1.31 (180deg=1.25) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 180:sc= -0.0735 USER MOD Single : B 67 HIS : no HE2:sc= -3.41! C(o=-3.4!,f=-5.7!) USER MOD Single : B 78 LYS NZ :NH3+ -165:sc= 1.16 (180deg=0.814) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 28.399 15.732 -11.662 1.00 0.00 N ATOM 20 CA ALA A 2 28.406 14.994 -10.409 1.00 0.00 C ATOM 21 C ALA A 2 28.568 15.914 -9.204 1.00 0.00 C ATOM 22 O ALA A 2 29.689 16.237 -8.799 1.00 0.00 O ATOM 23 CB ALA A 2 29.504 13.940 -10.423 1.00 0.00 C ATOM 0 HA ALA A 2 27.438 14.502 -10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 2 29.498 13.395 -9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 2 29.330 13.245 -11.244 1.00 0.00 H new ATOM 0 HB3 ALA A 2 30.471 14.424 -10.556 1.00 0.00 H new ATOM 29 N SER A 3 27.450 16.358 -8.652 1.00 0.00 N ATOM 30 CA SER A 3 27.461 17.063 -7.383 1.00 0.00 C ATOM 31 C SER A 3 27.231 16.054 -6.266 1.00 0.00 C ATOM 32 O SER A 3 26.776 14.939 -6.524 1.00 0.00 O ATOM 33 CB SER A 3 26.399 18.166 -7.361 1.00 0.00 C ATOM 34 OG SER A 3 25.124 17.677 -7.750 1.00 0.00 O ATOM 0 H SER A 3 26.524 16.242 -9.064 1.00 0.00 H new ATOM 0 HA SER A 3 28.427 17.548 -7.240 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.336 18.590 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.699 18.973 -8.030 1.00 0.00 H new ATOM 0 HG SER A 3 24.455 17.944 -7.086 1.00 0.00 H new ATOM 40 N LYS A 4 27.546 16.417 -5.035 1.00 0.00 N ATOM 41 CA LYS A 4 27.480 15.455 -3.952 1.00 0.00 C ATOM 42 C LYS A 4 26.114 15.447 -3.279 1.00 0.00 C ATOM 43 O LYS A 4 25.479 16.489 -3.091 1.00 0.00 O ATOM 44 CB LYS A 4 28.587 15.704 -2.925 1.00 0.00 C ATOM 45 CG LYS A 4 28.478 17.019 -2.177 1.00 0.00 C ATOM 46 CD LYS A 4 29.646 17.182 -1.223 1.00 0.00 C ATOM 47 CE LYS A 4 29.503 18.413 -0.349 1.00 0.00 C ATOM 48 NZ LYS A 4 30.687 18.584 0.531 1.00 0.00 N ATOM 0 H LYS A 4 27.845 17.354 -4.764 1.00 0.00 H new ATOM 0 HA LYS A 4 27.634 14.470 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 4 28.581 14.889 -2.201 1.00 0.00 H new ATOM 0 HB3 LYS A 4 29.550 15.671 -3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 4 28.460 17.847 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 4 27.540 17.053 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 4 29.724 16.297 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 4 30.572 17.249 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 4 29.382 19.296 -0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 4 28.603 18.328 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 30.563 19.433 1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 30.787 17.750 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 31.541 18.688 -0.053 1.00 0.00 H new ATOM 62 N ALA A 5 25.669 14.248 -2.939 1.00 0.00 N ATOM 63 CA ALA A 5 24.431 14.050 -2.212 1.00 0.00 C ATOM 64 C ALA A 5 24.741 13.382 -0.884 1.00 0.00 C ATOM 65 O ALA A 5 25.361 12.316 -0.844 1.00 0.00 O ATOM 66 CB ALA A 5 23.458 13.210 -3.030 1.00 0.00 C ATOM 0 H ALA A 5 26.161 13.382 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 5 23.957 15.014 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 5 22.534 13.072 -2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.239 13.718 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 5 23.904 12.238 -3.239 1.00 0.00 H new ATOM 72 N ILE A 6 24.330 14.011 0.199 1.00 0.00 N ATOM 73 CA ILE A 6 24.688 13.548 1.526 1.00 0.00 C ATOM 74 C ILE A 6 23.598 12.664 2.113 1.00 0.00 C ATOM 75 O ILE A 6 22.505 13.136 2.423 1.00 0.00 O ATOM 76 CB ILE A 6 24.955 14.733 2.482 1.00 0.00 C ATOM 77 CG1 ILE A 6 26.057 15.642 1.924 1.00 0.00 C ATOM 78 CG2 ILE A 6 25.327 14.231 3.871 1.00 0.00 C ATOM 79 CD1 ILE A 6 27.386 14.943 1.715 1.00 0.00 C ATOM 0 H ILE A 6 23.746 14.847 0.186 1.00 0.00 H new ATOM 0 HA ILE A 6 25.603 12.964 1.423 1.00 0.00 H new ATOM 0 HB ILE A 6 24.038 15.317 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 6 25.724 16.058 0.973 1.00 0.00 H new ATOM 0 HG13 ILE A 6 26.202 16.480 2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 6 25.511 15.081 4.528 1.00 0.00 H new ATOM 0 HG22 ILE A 6 24.509 13.632 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 6 26.227 13.620 3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 6 28.112 15.653 1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 6 27.744 14.551 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 6 27.258 14.122 1.009 1.00 0.00 H new ATOM 91 N PHE A 7 23.892 11.383 2.251 1.00 0.00 N ATOM 92 CA PHE A 7 22.981 10.459 2.899 1.00 0.00 C ATOM 93 C PHE A 7 23.254 10.477 4.397 1.00 0.00 C ATOM 94 O PHE A 7 24.142 9.779 4.889 1.00 0.00 O ATOM 95 CB PHE A 7 23.140 9.045 2.328 1.00 0.00 C ATOM 96 CG PHE A 7 22.080 8.079 2.779 1.00 0.00 C ATOM 97 CD1 PHE A 7 20.853 8.033 2.139 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.312 7.212 3.835 1.00 0.00 C ATOM 99 CE1 PHE A 7 19.875 7.145 2.543 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.338 6.321 4.246 1.00 0.00 C ATOM 101 CZ PHE A 7 20.118 6.288 3.599 1.00 0.00 C ATOM 0 H PHE A 7 24.759 10.959 1.921 1.00 0.00 H new ATOM 0 HA PHE A 7 21.952 10.768 2.713 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.127 9.101 1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.117 8.656 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.658 8.700 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.265 7.233 4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.923 7.121 2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.531 5.652 5.072 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.355 5.593 3.918 1.00 0.00 H new ATOM 111 N TYR A 8 22.518 11.310 5.105 1.00 0.00 N ATOM 112 CA TYR A 8 22.761 11.531 6.519 1.00 0.00 C ATOM 113 C TYR A 8 21.829 10.675 7.363 1.00 0.00 C ATOM 114 O TYR A 8 20.612 10.748 7.212 1.00 0.00 O ATOM 115 CB TYR A 8 22.546 13.010 6.850 1.00 0.00 C ATOM 116 CG TYR A 8 23.659 13.627 7.664 1.00 0.00 C ATOM 117 CD1 TYR A 8 24.258 12.927 8.702 1.00 0.00 C ATOM 118 CD2 TYR A 8 24.114 14.910 7.389 1.00 0.00 C ATOM 119 CE1 TYR A 8 25.275 13.489 9.444 1.00 0.00 C ATOM 120 CE2 TYR A 8 25.133 15.478 8.128 1.00 0.00 C ATOM 121 CZ TYR A 8 25.710 14.763 9.154 1.00 0.00 C ATOM 122 OH TYR A 8 26.725 15.325 9.898 1.00 0.00 O ATOM 0 H TYR A 8 21.741 11.849 4.722 1.00 0.00 H new ATOM 0 HA TYR A 8 23.790 11.250 6.746 1.00 0.00 H new ATOM 0 HB2 TYR A 8 22.438 13.568 5.920 1.00 0.00 H new ATOM 0 HB3 TYR A 8 21.609 13.117 7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 8 23.922 11.927 8.932 1.00 0.00 H new ATOM 0 HD2 TYR A 8 23.664 15.472 6.584 1.00 0.00 H new ATOM 0 HE1 TYR A 8 25.729 12.932 10.250 1.00 0.00 H new ATOM 0 HE2 TYR A 8 25.475 16.477 7.903 1.00 0.00 H new ATOM 0 HH TYR A 8 26.914 16.227 9.565 1.00 0.00 H new ATOM 132 N HIS A 9 22.392 9.863 8.245 1.00 0.00 N ATOM 133 CA HIS A 9 21.581 9.057 9.148 1.00 0.00 C ATOM 134 C HIS A 9 22.298 8.845 10.479 1.00 0.00 C ATOM 135 O HIS A 9 23.429 9.299 10.666 1.00 0.00 O ATOM 136 CB HIS A 9 21.211 7.708 8.510 1.00 0.00 C ATOM 137 CG HIS A 9 22.356 6.757 8.332 1.00 0.00 C ATOM 138 ND1 HIS A 9 22.536 5.697 9.185 1.00 0.00 N ATOM 139 CD2 HIS A 9 23.320 6.728 7.381 1.00 0.00 C ATOM 140 CE1 HIS A 9 23.597 5.047 8.736 1.00 0.00 C ATOM 141 NE2 HIS A 9 24.106 5.633 7.645 1.00 0.00 N ATOM 0 H HIS A 9 23.399 9.744 8.355 1.00 0.00 H new ATOM 0 HA HIS A 9 20.657 9.602 9.340 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.452 7.227 9.127 1.00 0.00 H new ATOM 0 HB3 HIS A 9 20.759 7.895 7.536 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.446 7.431 6.571 1.00 0.00 H new ATOM 0 HE1 HIS A 9 24.002 4.156 9.192 1.00 0.00 H new ATOM 0 HE2 HIS A 9 24.920 5.326 7.113 1.00 0.00 H new ATOM 149 N ALA A 10 21.632 8.167 11.403 1.00 0.00 N ATOM 150 CA ALA A 10 22.197 7.920 12.720 1.00 0.00 C ATOM 151 C ALA A 10 22.087 6.448 13.098 1.00 0.00 C ATOM 152 O ALA A 10 22.223 6.086 14.268 1.00 0.00 O ATOM 153 CB ALA A 10 21.506 8.790 13.759 1.00 0.00 C ATOM 0 H ALA A 10 20.699 7.778 11.264 1.00 0.00 H new ATOM 0 HA ALA A 10 23.255 8.179 12.691 1.00 0.00 H new ATOM 0 HB1 ALA A 10 21.938 8.596 14.741 1.00 0.00 H new ATOM 0 HB2 ALA A 10 21.643 9.841 13.503 1.00 0.00 H new ATOM 0 HB3 ALA A 10 20.441 8.557 13.778 1.00 0.00 H new ATOM 159 N GLY A 11 21.859 5.598 12.105 1.00 0.00 N ATOM 160 CA GLY A 11 21.761 4.173 12.363 1.00 0.00 C ATOM 161 C GLY A 11 20.334 3.708 12.569 1.00 0.00 C ATOM 162 O GLY A 11 20.098 2.549 12.911 1.00 0.00 O ATOM 0 H GLY A 11 21.740 5.868 11.128 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.199 3.627 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.349 3.928 13.247 1.00 0.00 H new ATOM 166 N CYS A 12 19.386 4.613 12.373 1.00 0.00 N ATOM 167 CA CYS A 12 17.974 4.279 12.479 1.00 0.00 C ATOM 168 C CYS A 12 17.588 3.256 11.409 1.00 0.00 C ATOM 169 O CYS A 12 17.880 3.447 10.233 1.00 0.00 O ATOM 170 CB CYS A 12 17.130 5.550 12.353 1.00 0.00 C ATOM 171 SG CYS A 12 17.679 6.672 11.043 1.00 0.00 S ATOM 0 H CYS A 12 19.571 5.588 12.139 1.00 0.00 H new ATOM 0 HA CYS A 12 17.783 3.832 13.455 1.00 0.00 H new ATOM 0 HB2 CYS A 12 16.094 5.269 12.165 1.00 0.00 H new ATOM 0 HB3 CYS A 12 17.149 6.082 13.304 1.00 0.00 H new ATOM 0 HG CYS A 12 16.858 7.677 10.960 1.00 0.00 H new ATOM 177 N PRO A 13 16.918 2.162 11.812 1.00 0.00 N ATOM 178 CA PRO A 13 16.616 1.018 10.928 1.00 0.00 C ATOM 179 C PRO A 13 15.940 1.411 9.612 1.00 0.00 C ATOM 180 O PRO A 13 16.051 0.698 8.616 1.00 0.00 O ATOM 181 CB PRO A 13 15.671 0.164 11.772 1.00 0.00 C ATOM 182 CG PRO A 13 16.025 0.492 13.179 1.00 0.00 C ATOM 183 CD PRO A 13 16.404 1.946 13.178 1.00 0.00 C ATOM 0 HA PRO A 13 17.530 0.513 10.617 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.628 0.400 11.560 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.806 -0.898 11.566 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.184 0.308 13.847 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.851 -0.127 13.529 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.547 2.585 13.391 1.00 0.00 H new ATOM 0 HD3 PRO A 13 17.160 2.165 13.932 1.00 0.00 H new ATOM 191 N VAL A 14 15.257 2.547 9.607 1.00 0.00 N ATOM 192 CA VAL A 14 14.555 3.010 8.414 1.00 0.00 C ATOM 193 C VAL A 14 15.527 3.434 7.308 1.00 0.00 C ATOM 194 O VAL A 14 15.129 3.595 6.155 1.00 0.00 O ATOM 195 CB VAL A 14 13.603 4.182 8.736 1.00 0.00 C ATOM 196 CG1 VAL A 14 12.474 3.721 9.644 1.00 0.00 C ATOM 197 CG2 VAL A 14 14.360 5.336 9.373 1.00 0.00 C ATOM 0 H VAL A 14 15.173 3.166 10.414 1.00 0.00 H new ATOM 0 HA VAL A 14 13.968 2.164 8.056 1.00 0.00 H new ATOM 0 HB VAL A 14 13.171 4.534 7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.814 4.561 9.859 1.00 0.00 H new ATOM 0 HG12 VAL A 14 11.908 2.932 9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.890 3.338 10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.668 6.149 9.590 1.00 0.00 H new ATOM 0 HG22 VAL A 14 14.826 4.999 10.299 1.00 0.00 H new ATOM 0 HG23 VAL A 14 15.130 5.689 8.687 1.00 0.00 H new ATOM 207 N CYS A 15 16.802 3.609 7.654 1.00 0.00 N ATOM 208 CA CYS A 15 17.798 4.021 6.671 1.00 0.00 C ATOM 209 C CYS A 15 18.389 2.808 5.965 1.00 0.00 C ATOM 210 O CYS A 15 18.988 2.937 4.900 1.00 0.00 O ATOM 211 CB CYS A 15 18.920 4.833 7.327 1.00 0.00 C ATOM 212 SG CYS A 15 20.067 3.858 8.332 1.00 0.00 S ATOM 0 H CYS A 15 17.165 3.473 8.598 1.00 0.00 H new ATOM 0 HA CYS A 15 17.295 4.652 5.938 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.485 5.344 6.547 1.00 0.00 H new ATOM 0 HB3 CYS A 15 18.473 5.604 7.954 1.00 0.00 H new ATOM 0 HG CYS A 15 21.065 4.605 8.699 1.00 0.00 H new ATOM 218 N VAL A 16 18.209 1.631 6.555 1.00 0.00 N ATOM 219 CA VAL A 16 18.777 0.406 6.001 1.00 0.00 C ATOM 220 C VAL A 16 18.167 0.101 4.638 1.00 0.00 C ATOM 221 O VAL A 16 18.881 -0.019 3.642 1.00 0.00 O ATOM 222 CB VAL A 16 18.564 -0.797 6.946 1.00 0.00 C ATOM 223 CG1 VAL A 16 19.193 -2.058 6.368 1.00 0.00 C ATOM 224 CG2 VAL A 16 19.132 -0.497 8.326 1.00 0.00 C ATOM 0 H VAL A 16 17.676 1.499 7.414 1.00 0.00 H new ATOM 0 HA VAL A 16 19.849 0.567 5.889 1.00 0.00 H new ATOM 0 HB VAL A 16 17.492 -0.969 7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 16 19.030 -2.892 7.051 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.736 -2.284 5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 16 20.264 -1.902 6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 16 18.973 -1.355 8.979 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.200 -0.296 8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 16 18.630 0.375 8.744 1.00 0.00 H new ATOM 234 N SER A 17 16.847 0.007 4.596 1.00 0.00 N ATOM 235 CA SER A 17 16.141 -0.259 3.355 1.00 0.00 C ATOM 236 C SER A 17 16.226 0.946 2.418 1.00 0.00 C ATOM 237 O SER A 17 16.334 0.794 1.200 1.00 0.00 O ATOM 238 CB SER A 17 14.687 -0.614 3.661 1.00 0.00 C ATOM 239 OG SER A 17 14.152 0.256 4.646 1.00 0.00 O ATOM 0 H SER A 17 16.242 0.112 5.411 1.00 0.00 H new ATOM 0 HA SER A 17 16.610 -1.104 2.850 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.092 -0.548 2.750 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.625 -1.645 4.008 1.00 0.00 H new ATOM 0 HG SER A 17 13.220 0.013 4.826 1.00 0.00 H new ATOM 245 N ALA A 18 16.200 2.142 3.000 1.00 0.00 N ATOM 246 CA ALA A 18 16.330 3.375 2.232 1.00 0.00 C ATOM 247 C ALA A 18 17.658 3.408 1.486 1.00 0.00 C ATOM 248 O ALA A 18 17.738 3.878 0.352 1.00 0.00 O ATOM 249 CB ALA A 18 16.206 4.583 3.146 1.00 0.00 C ATOM 0 H ALA A 18 16.090 2.283 4.004 1.00 0.00 H new ATOM 0 HA ALA A 18 15.524 3.408 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.305 5.496 2.558 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.232 4.571 3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.992 4.550 3.901 1.00 0.00 H new ATOM 255 N GLU A 19 18.694 2.893 2.129 1.00 0.00 N ATOM 256 CA GLU A 19 20.015 2.808 1.527 1.00 0.00 C ATOM 257 C GLU A 19 20.013 1.790 0.389 1.00 0.00 C ATOM 258 O GLU A 19 20.620 2.004 -0.656 1.00 0.00 O ATOM 259 CB GLU A 19 21.032 2.407 2.593 1.00 0.00 C ATOM 260 CG GLU A 19 22.474 2.432 2.127 1.00 0.00 C ATOM 261 CD GLU A 19 23.416 1.903 3.183 1.00 0.00 C ATOM 262 OE1 GLU A 19 23.645 2.604 4.187 1.00 0.00 O ATOM 263 OE2 GLU A 19 23.908 0.766 3.029 1.00 0.00 O ATOM 0 H GLU A 19 18.644 2.524 3.078 1.00 0.00 H new ATOM 0 HA GLU A 19 20.287 3.781 1.117 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.928 3.077 3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.794 1.403 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 19 22.573 1.835 1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 19 22.755 3.453 1.869 1.00 0.00 H new ATOM 270 N GLN A 20 19.294 0.695 0.595 1.00 0.00 N ATOM 271 CA GLN A 20 19.244 -0.392 -0.377 1.00 0.00 C ATOM 272 C GLN A 20 18.307 -0.067 -1.536 1.00 0.00 C ATOM 273 O GLN A 20 18.239 -0.810 -2.514 1.00 0.00 O ATOM 274 CB GLN A 20 18.790 -1.678 0.306 1.00 0.00 C ATOM 275 CG GLN A 20 19.713 -2.119 1.424 1.00 0.00 C ATOM 276 CD GLN A 20 19.151 -3.273 2.226 1.00 0.00 C ATOM 277 OE1 GLN A 20 17.936 -3.421 2.359 1.00 0.00 O ATOM 278 NE2 GLN A 20 20.031 -4.096 2.765 1.00 0.00 N ATOM 0 H GLN A 20 18.733 0.534 1.432 1.00 0.00 H new ATOM 0 HA GLN A 20 20.247 -0.523 -0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 20 17.787 -1.534 0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 20 18.725 -2.473 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.675 -2.410 1.002 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.899 -1.276 2.090 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.029 -3.936 2.629 1.00 0.00 H new ATOM 0 HE22 GLN A 20 19.713 -4.892 3.317 1.00 0.00 H new ATOM 287 N ALA A 21 17.572 1.029 -1.415 1.00 0.00 N ATOM 288 CA ALA A 21 16.660 1.446 -2.470 1.00 0.00 C ATOM 289 C ALA A 21 17.044 2.810 -3.040 1.00 0.00 C ATOM 290 O ALA A 21 17.467 2.914 -4.190 1.00 0.00 O ATOM 291 CB ALA A 21 15.235 1.469 -1.946 1.00 0.00 C ATOM 0 H ALA A 21 17.589 1.643 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 21 16.730 0.722 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.560 1.782 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 21 14.957 0.472 -1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.165 2.170 -1.114 1.00 0.00 H new ATOM 297 N VAL A 22 16.917 3.849 -2.225 1.00 0.00 N ATOM 298 CA VAL A 22 17.171 5.216 -2.671 1.00 0.00 C ATOM 299 C VAL A 22 18.659 5.436 -2.934 1.00 0.00 C ATOM 300 O VAL A 22 19.045 5.946 -3.988 1.00 0.00 O ATOM 301 CB VAL A 22 16.678 6.247 -1.632 1.00 0.00 C ATOM 302 CG1 VAL A 22 16.856 7.667 -2.150 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.222 5.987 -1.268 1.00 0.00 C ATOM 0 H VAL A 22 16.638 3.772 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 22 16.617 5.359 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 22 17.283 6.137 -0.732 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.502 8.375 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.911 7.851 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.283 7.794 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.893 6.724 -0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.604 6.064 -2.163 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.126 4.987 -0.846 1.00 0.00 H new ATOM 313 N ALA A 23 19.493 5.026 -1.985 1.00 0.00 N ATOM 314 CA ALA A 23 20.938 5.182 -2.120 1.00 0.00 C ATOM 315 C ALA A 23 21.506 4.150 -3.090 1.00 0.00 C ATOM 316 O ALA A 23 22.677 4.202 -3.458 1.00 0.00 O ATOM 317 CB ALA A 23 21.618 5.078 -0.764 1.00 0.00 C ATOM 0 H ALA A 23 19.195 4.584 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 23 21.137 6.174 -2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 23 22.695 5.197 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.239 5.860 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.408 4.102 -0.326 1.00 0.00 H new ATOM 323 N ASN A 24 20.665 3.208 -3.491 1.00 0.00 N ATOM 324 CA ASN A 24 21.038 2.224 -4.498 1.00 0.00 C ATOM 325 C ASN A 24 20.724 2.772 -5.885 1.00 0.00 C ATOM 326 O ASN A 24 21.427 2.490 -6.858 1.00 0.00 O ATOM 327 CB ASN A 24 20.283 0.912 -4.269 1.00 0.00 C ATOM 328 CG ASN A 24 20.652 -0.164 -5.274 1.00 0.00 C ATOM 329 OD1 ASN A 24 20.087 -0.232 -6.364 1.00 0.00 O ATOM 330 ND2 ASN A 24 21.587 -1.029 -4.905 1.00 0.00 N ATOM 0 H ASN A 24 19.716 3.104 -3.133 1.00 0.00 H new ATOM 0 HA ASN A 24 22.107 2.025 -4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 24 20.492 0.549 -3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.211 1.101 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 24 21.860 -1.784 -5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 24 22.033 -0.939 -3.992 1.00 0.00 H new ATOM 337 N ALA A 25 19.658 3.560 -5.962 1.00 0.00 N ATOM 338 CA ALA A 25 19.257 4.190 -7.209 1.00 0.00 C ATOM 339 C ALA A 25 20.317 5.179 -7.672 1.00 0.00 C ATOM 340 O ALA A 25 20.783 5.121 -8.813 1.00 0.00 O ATOM 341 CB ALA A 25 17.913 4.886 -7.044 1.00 0.00 C ATOM 0 H ALA A 25 19.054 3.777 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 25 19.154 3.416 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.627 5.353 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.157 4.155 -6.757 1.00 0.00 H new ATOM 0 HB3 ALA A 25 17.991 5.650 -6.270 1.00 0.00 H new ATOM 347 N ILE A 26 20.708 6.069 -6.773 1.00 0.00 N ATOM 348 CA ILE A 26 21.719 7.067 -7.076 1.00 0.00 C ATOM 349 C ILE A 26 23.110 6.512 -6.782 1.00 0.00 C ATOM 350 O ILE A 26 23.473 6.304 -5.625 1.00 0.00 O ATOM 351 CB ILE A 26 21.500 8.358 -6.260 1.00 0.00 C ATOM 352 CG1 ILE A 26 20.063 8.860 -6.433 1.00 0.00 C ATOM 353 CG2 ILE A 26 22.495 9.430 -6.690 1.00 0.00 C ATOM 354 CD1 ILE A 26 19.725 10.055 -5.567 1.00 0.00 C ATOM 0 H ILE A 26 20.338 6.119 -5.824 1.00 0.00 H new ATOM 0 HA ILE A 26 21.635 7.311 -8.135 1.00 0.00 H new ATOM 0 HB ILE A 26 21.664 8.136 -5.205 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.904 9.124 -7.478 1.00 0.00 H new ATOM 0 HG13 ILE A 26 19.374 8.048 -6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 26 22.329 10.335 -6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 26 23.511 9.072 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 26 22.357 9.651 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 26 18.692 10.353 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 26 19.851 9.791 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 26 20.389 10.883 -5.815 1.00 0.00 H new ATOM 366 N ASP A 27 23.872 6.259 -7.833 1.00 0.00 N ATOM 367 CA ASP A 27 25.218 5.719 -7.688 1.00 0.00 C ATOM 368 C ASP A 27 26.247 6.845 -7.682 1.00 0.00 C ATOM 369 O ASP A 27 25.992 7.928 -8.214 1.00 0.00 O ATOM 370 CB ASP A 27 25.525 4.728 -8.813 1.00 0.00 C ATOM 371 CG ASP A 27 25.398 5.349 -10.184 1.00 0.00 C ATOM 372 OD1 ASP A 27 24.283 5.314 -10.745 1.00 0.00 O ATOM 373 OD2 ASP A 27 26.406 5.864 -10.704 1.00 0.00 O ATOM 0 H ASP A 27 23.583 6.418 -8.798 1.00 0.00 H new ATOM 0 HA ASP A 27 25.273 5.191 -6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.536 4.341 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 27 24.847 3.878 -8.739 1.00 0.00 H new ATOM 378 N PRO A 28 27.425 6.598 -7.078 1.00 0.00 N ATOM 379 CA PRO A 28 28.479 7.611 -6.921 1.00 0.00 C ATOM 380 C PRO A 28 29.121 8.052 -8.240 1.00 0.00 C ATOM 381 O PRO A 28 29.955 8.957 -8.251 1.00 0.00 O ATOM 382 CB PRO A 28 29.520 6.925 -6.024 1.00 0.00 C ATOM 383 CG PRO A 28 28.820 5.747 -5.440 1.00 0.00 C ATOM 384 CD PRO A 28 27.817 5.320 -6.467 1.00 0.00 C ATOM 0 HA PRO A 28 28.067 8.530 -6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 28 30.394 6.618 -6.599 1.00 0.00 H new ATOM 0 HB3 PRO A 28 29.873 7.600 -5.244 1.00 0.00 H new ATOM 0 HG2 PRO A 28 29.523 4.943 -5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 28 28.332 6.008 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 28 28.250 4.637 -7.198 1.00 0.00 H new ATOM 0 HD3 PRO A 28 26.967 4.808 -6.016 1.00 0.00 H new ATOM 392 N SER A 29 28.744 7.422 -9.345 1.00 0.00 N ATOM 393 CA SER A 29 29.256 7.826 -10.646 1.00 0.00 C ATOM 394 C SER A 29 28.462 9.015 -11.176 1.00 0.00 C ATOM 395 O SER A 29 29.019 9.931 -11.785 1.00 0.00 O ATOM 396 CB SER A 29 29.189 6.662 -11.634 1.00 0.00 C ATOM 397 OG SER A 29 29.900 5.536 -11.146 1.00 0.00 O ATOM 0 H SER A 29 28.092 6.638 -9.367 1.00 0.00 H new ATOM 0 HA SER A 29 30.299 8.121 -10.532 1.00 0.00 H new ATOM 0 HB2 SER A 29 28.148 6.390 -11.810 1.00 0.00 H new ATOM 0 HB3 SER A 29 29.605 6.971 -12.593 1.00 0.00 H new ATOM 0 HG SER A 29 29.840 4.805 -11.796 1.00 0.00 H new ATOM 403 N LYS A 30 27.159 9.000 -10.933 1.00 0.00 N ATOM 404 CA LYS A 30 26.294 10.088 -11.360 1.00 0.00 C ATOM 405 C LYS A 30 26.400 11.267 -10.396 1.00 0.00 C ATOM 406 O LYS A 30 26.582 12.408 -10.815 1.00 0.00 O ATOM 407 CB LYS A 30 24.845 9.609 -11.460 1.00 0.00 C ATOM 408 CG LYS A 30 23.864 10.708 -11.832 1.00 0.00 C ATOM 409 CD LYS A 30 22.441 10.185 -11.915 1.00 0.00 C ATOM 410 CE LYS A 30 21.993 9.966 -13.352 1.00 0.00 C ATOM 411 NZ LYS A 30 22.866 9.007 -14.079 1.00 0.00 N ATOM 0 H LYS A 30 26.679 8.246 -10.442 1.00 0.00 H new ATOM 0 HA LYS A 30 26.619 10.420 -12.346 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.785 8.813 -12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 30 24.548 9.176 -10.505 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.915 11.507 -11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 30 24.149 11.141 -12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.368 9.246 -11.366 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.767 10.891 -11.430 1.00 0.00 H new ATOM 0 HE2 LYS A 30 20.968 9.596 -13.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.990 10.921 -13.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.490 8.853 -15.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.829 9.394 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.890 8.102 -13.567 1.00 0.00 H new ATOM 425 N TYR A 31 26.286 10.979 -9.107 1.00 0.00 N ATOM 426 CA TYR A 31 26.426 11.994 -8.072 1.00 0.00 C ATOM 427 C TYR A 31 27.332 11.475 -6.970 1.00 0.00 C ATOM 428 O TYR A 31 27.406 10.270 -6.744 1.00 0.00 O ATOM 429 CB TYR A 31 25.065 12.372 -7.476 1.00 0.00 C ATOM 430 CG TYR A 31 24.137 13.084 -8.435 1.00 0.00 C ATOM 431 CD1 TYR A 31 24.401 14.382 -8.853 1.00 0.00 C ATOM 432 CD2 TYR A 31 22.995 12.461 -8.917 1.00 0.00 C ATOM 433 CE1 TYR A 31 23.552 15.039 -9.724 1.00 0.00 C ATOM 434 CE2 TYR A 31 22.142 13.111 -9.787 1.00 0.00 C ATOM 435 CZ TYR A 31 22.424 14.397 -10.187 1.00 0.00 C ATOM 436 OH TYR A 31 21.567 15.048 -11.049 1.00 0.00 O ATOM 0 H TYR A 31 26.095 10.042 -8.751 1.00 0.00 H new ATOM 0 HA TYR A 31 26.861 12.884 -8.526 1.00 0.00 H new ATOM 0 HB2 TYR A 31 24.574 11.466 -7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 31 25.227 13.009 -6.607 1.00 0.00 H new ATOM 0 HD1 TYR A 31 25.285 14.887 -8.491 1.00 0.00 H new ATOM 0 HD2 TYR A 31 22.769 11.451 -8.607 1.00 0.00 H new ATOM 0 HE1 TYR A 31 23.771 16.048 -10.039 1.00 0.00 H new ATOM 0 HE2 TYR A 31 21.257 12.612 -10.152 1.00 0.00 H new ATOM 0 HH TYR A 31 20.822 14.454 -11.280 1.00 0.00 H new ATOM 446 N THR A 32 28.015 12.372 -6.284 1.00 0.00 N ATOM 447 CA THR A 32 28.902 11.977 -5.203 1.00 0.00 C ATOM 448 C THR A 32 28.086 11.600 -3.969 1.00 0.00 C ATOM 449 O THR A 32 27.763 12.450 -3.141 1.00 0.00 O ATOM 450 CB THR A 32 29.882 13.108 -4.844 1.00 0.00 C ATOM 451 OG1 THR A 32 30.316 13.779 -6.038 1.00 0.00 O ATOM 452 CG2 THR A 32 31.091 12.561 -4.099 1.00 0.00 C ATOM 0 H THR A 32 27.974 13.377 -6.454 1.00 0.00 H new ATOM 0 HA THR A 32 29.478 11.115 -5.540 1.00 0.00 H new ATOM 0 HB THR A 32 29.364 13.815 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 32 30.938 14.498 -5.801 1.00 0.00 H new ATOM 0 HG21 THR A 32 31.769 13.379 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 32 30.763 12.076 -3.179 1.00 0.00 H new ATOM 0 HG23 THR A 32 31.608 11.836 -4.727 1.00 0.00 H new ATOM 460 N VAL A 33 27.717 10.331 -3.872 1.00 0.00 N ATOM 461 CA VAL A 33 26.896 9.858 -2.769 1.00 0.00 C ATOM 462 C VAL A 33 27.746 9.615 -1.532 1.00 0.00 C ATOM 463 O VAL A 33 28.462 8.617 -1.440 1.00 0.00 O ATOM 464 CB VAL A 33 26.145 8.559 -3.137 1.00 0.00 C ATOM 465 CG1 VAL A 33 25.214 8.131 -2.011 1.00 0.00 C ATOM 466 CG2 VAL A 33 25.374 8.737 -4.434 1.00 0.00 C ATOM 0 H VAL A 33 27.974 9.610 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 33 26.162 10.636 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 33 26.883 7.770 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.697 7.214 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.795 7.955 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.482 8.917 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.852 7.812 -4.677 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.650 9.543 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 33 26.067 8.984 -5.238 1.00 0.00 H new ATOM 476 N GLU A 34 27.679 10.544 -0.591 1.00 0.00 N ATOM 477 CA GLU A 34 28.425 10.426 0.650 1.00 0.00 C ATOM 478 C GLU A 34 27.487 10.113 1.805 1.00 0.00 C ATOM 479 O GLU A 34 26.595 10.898 2.124 1.00 0.00 O ATOM 480 CB GLU A 34 29.202 11.710 0.944 1.00 0.00 C ATOM 481 CG GLU A 34 30.291 12.015 -0.070 1.00 0.00 C ATOM 482 CD GLU A 34 31.180 13.160 0.366 1.00 0.00 C ATOM 483 OE1 GLU A 34 31.919 12.996 1.361 1.00 0.00 O ATOM 484 OE2 GLU A 34 31.157 14.224 -0.285 1.00 0.00 O ATOM 0 H GLU A 34 27.114 11.390 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 34 29.137 9.608 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 34 28.504 12.547 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 34 29.652 11.632 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.900 11.124 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.833 12.259 -1.029 1.00 0.00 H new ATOM 491 N ILE A 35 27.683 8.959 2.419 1.00 0.00 N ATOM 492 CA ILE A 35 26.880 8.554 3.561 1.00 0.00 C ATOM 493 C ILE A 35 27.557 8.994 4.854 1.00 0.00 C ATOM 494 O ILE A 35 28.713 8.650 5.103 1.00 0.00 O ATOM 495 CB ILE A 35 26.660 7.026 3.579 1.00 0.00 C ATOM 496 CG1 ILE A 35 25.993 6.573 2.275 1.00 0.00 C ATOM 497 CG2 ILE A 35 25.818 6.627 4.781 1.00 0.00 C ATOM 498 CD1 ILE A 35 25.774 5.077 2.182 1.00 0.00 C ATOM 0 H ILE A 35 28.395 8.282 2.144 1.00 0.00 H new ATOM 0 HA ILE A 35 25.906 9.036 3.476 1.00 0.00 H new ATOM 0 HB ILE A 35 27.628 6.532 3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 35 25.032 7.077 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 35 26.608 6.893 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 35 25.671 5.547 4.780 1.00 0.00 H new ATOM 0 HG22 ILE A 35 26.329 6.923 5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 35 24.850 7.125 4.728 1.00 0.00 H new ATOM 0 HD11 ILE A 35 25.298 4.837 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 35 26.734 4.564 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.132 4.752 3.001 1.00 0.00 H new ATOM 510 N VAL A 36 26.841 9.762 5.663 1.00 0.00 N ATOM 511 CA VAL A 36 27.406 10.326 6.881 1.00 0.00 C ATOM 512 C VAL A 36 26.594 9.887 8.102 1.00 0.00 C ATOM 513 O VAL A 36 25.363 9.840 8.058 1.00 0.00 O ATOM 514 CB VAL A 36 27.454 11.870 6.812 1.00 0.00 C ATOM 515 CG1 VAL A 36 28.265 12.438 7.964 1.00 0.00 C ATOM 516 CG2 VAL A 36 28.027 12.338 5.482 1.00 0.00 C ATOM 0 H VAL A 36 25.865 10.009 5.497 1.00 0.00 H new ATOM 0 HA VAL A 36 28.426 9.953 6.977 1.00 0.00 H new ATOM 0 HB VAL A 36 26.432 12.239 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 36 28.284 13.526 7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.810 12.143 8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 36 29.284 12.053 7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.050 13.428 5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.039 11.951 5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.403 11.971 4.667 1.00 0.00 H new ATOM 526 N HIS A 37 27.290 9.568 9.187 1.00 0.00 N ATOM 527 CA HIS A 37 26.648 9.027 10.380 1.00 0.00 C ATOM 528 C HIS A 37 26.752 10.010 11.549 1.00 0.00 C ATOM 529 O HIS A 37 27.848 10.427 11.925 1.00 0.00 O ATOM 530 CB HIS A 37 27.304 7.693 10.744 1.00 0.00 C ATOM 531 CG HIS A 37 26.572 6.908 11.790 1.00 0.00 C ATOM 532 ND1 HIS A 37 27.008 6.867 13.091 1.00 0.00 N ATOM 533 CD2 HIS A 37 25.473 6.127 11.668 1.00 0.00 C ATOM 534 CE1 HIS A 37 26.173 6.065 13.727 1.00 0.00 C ATOM 535 NE2 HIS A 37 25.228 5.591 12.907 1.00 0.00 N ATOM 0 H HIS A 37 28.301 9.675 9.266 1.00 0.00 H new ATOM 0 HA HIS A 37 25.590 8.867 10.173 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.387 7.085 9.843 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.318 7.884 11.094 1.00 0.00 H new ATOM 0 HD2 HIS A 37 24.899 5.958 10.769 1.00 0.00 H new ATOM 0 HE1 HIS A 37 26.244 5.822 14.777 1.00 0.00 H new ATOM 0 HE2 HIS A 37 24.471 4.954 13.155 1.00 0.00 H new ATOM 543 N LEU A 38 25.608 10.381 12.114 1.00 0.00 N ATOM 544 CA LEU A 38 25.568 11.312 13.244 1.00 0.00 C ATOM 545 C LEU A 38 25.830 10.610 14.571 1.00 0.00 C ATOM 546 O LEU A 38 26.355 11.212 15.503 1.00 0.00 O ATOM 547 CB LEU A 38 24.214 12.023 13.317 1.00 0.00 C ATOM 548 CG LEU A 38 24.063 13.246 12.415 1.00 0.00 C ATOM 549 CD1 LEU A 38 22.653 13.806 12.508 1.00 0.00 C ATOM 550 CD2 LEU A 38 25.083 14.311 12.794 1.00 0.00 C ATOM 0 H LEU A 38 24.692 10.052 11.809 1.00 0.00 H new ATOM 0 HA LEU A 38 26.359 12.042 13.074 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.433 11.307 13.062 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.040 12.330 14.348 1.00 0.00 H new ATOM 0 HG LEU A 38 24.245 12.941 11.385 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.564 14.677 11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.938 13.045 12.195 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.445 14.098 13.537 1.00 0.00 H new ATOM 0 HD21 LEU A 38 24.964 15.177 12.143 1.00 0.00 H new ATOM 0 HD22 LEU A 38 24.927 14.612 13.830 1.00 0.00 H new ATOM 0 HD23 LEU A 38 26.089 13.908 12.681 1.00 0.00 H new ATOM 562 N GLY A 39 25.491 9.331 14.637 1.00 0.00 N ATOM 563 CA GLY A 39 25.541 8.608 15.901 1.00 0.00 C ATOM 564 C GLY A 39 26.951 8.304 16.376 1.00 0.00 C ATOM 565 O GLY A 39 27.133 7.619 17.382 1.00 0.00 O ATOM 0 H GLY A 39 25.181 8.776 13.839 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.028 9.193 16.664 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.993 7.672 15.796 1.00 0.00 H new ATOM 569 N THR A 40 27.948 8.794 15.655 1.00 0.00 N ATOM 570 CA THR A 40 29.334 8.602 16.048 1.00 0.00 C ATOM 571 C THR A 40 30.010 9.950 16.322 1.00 0.00 C ATOM 572 O THR A 40 31.089 10.010 16.913 1.00 0.00 O ATOM 573 CB THR A 40 30.116 7.833 14.962 1.00 0.00 C ATOM 574 OG1 THR A 40 29.384 6.663 14.569 1.00 0.00 O ATOM 575 CG2 THR A 40 31.487 7.411 15.468 1.00 0.00 C ATOM 0 H THR A 40 27.822 9.327 14.795 1.00 0.00 H new ATOM 0 HA THR A 40 29.341 8.011 16.964 1.00 0.00 H new ATOM 0 HB THR A 40 30.245 8.499 14.109 1.00 0.00 H new ATOM 0 HG1 THR A 40 28.579 6.930 14.079 1.00 0.00 H new ATOM 0 HG21 THR A 40 32.015 6.871 14.682 1.00 0.00 H new ATOM 0 HG22 THR A 40 32.059 8.295 15.748 1.00 0.00 H new ATOM 0 HG23 THR A 40 31.371 6.763 16.337 1.00 0.00 H new ATOM 583 N ASP A 41 29.356 11.035 15.924 1.00 0.00 N ATOM 584 CA ASP A 41 29.934 12.364 16.076 1.00 0.00 C ATOM 585 C ASP A 41 28.844 13.420 16.185 1.00 0.00 C ATOM 586 O ASP A 41 28.185 13.752 15.199 1.00 0.00 O ATOM 587 CB ASP A 41 30.858 12.692 14.899 1.00 0.00 C ATOM 588 CG ASP A 41 31.556 14.027 15.067 1.00 0.00 C ATOM 589 OD1 ASP A 41 32.578 14.076 15.787 1.00 0.00 O ATOM 590 OD2 ASP A 41 31.091 15.029 14.491 1.00 0.00 O ATOM 0 H ASP A 41 28.430 11.021 15.496 1.00 0.00 H new ATOM 0 HA ASP A 41 30.519 12.368 16.996 1.00 0.00 H new ATOM 0 HB2 ASP A 41 31.605 11.905 14.797 1.00 0.00 H new ATOM 0 HB3 ASP A 41 30.277 12.702 13.977 1.00 0.00 H new ATOM 595 N LYS A 42 28.652 13.941 17.389 1.00 0.00 N ATOM 596 CA LYS A 42 27.653 14.973 17.617 1.00 0.00 C ATOM 597 C LYS A 42 28.237 16.364 17.408 1.00 0.00 C ATOM 598 O LYS A 42 27.555 17.369 17.602 1.00 0.00 O ATOM 599 CB LYS A 42 27.045 14.859 19.015 1.00 0.00 C ATOM 600 CG LYS A 42 26.076 13.698 19.162 1.00 0.00 C ATOM 601 CD LYS A 42 25.402 13.701 20.523 1.00 0.00 C ATOM 602 CE LYS A 42 26.412 13.525 21.642 1.00 0.00 C ATOM 603 NZ LYS A 42 25.778 13.609 22.984 1.00 0.00 N ATOM 0 H LYS A 42 29.174 13.666 18.221 1.00 0.00 H new ATOM 0 HA LYS A 42 26.860 14.821 16.885 1.00 0.00 H new ATOM 0 HB2 LYS A 42 27.848 14.746 19.744 1.00 0.00 H new ATOM 0 HB3 LYS A 42 26.526 15.787 19.254 1.00 0.00 H new ATOM 0 HG2 LYS A 42 25.319 13.754 18.380 1.00 0.00 H new ATOM 0 HG3 LYS A 42 26.610 12.758 19.022 1.00 0.00 H new ATOM 0 HD2 LYS A 42 24.863 14.638 20.662 1.00 0.00 H new ATOM 0 HD3 LYS A 42 24.665 12.900 20.567 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.907 12.560 21.535 1.00 0.00 H new ATOM 0 HE3 LYS A 42 27.184 14.290 21.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 26.503 13.484 23.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 25.327 14.539 23.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 25.059 12.863 23.076 1.00 0.00 H new ATOM 617 N ALA A 43 29.497 16.426 17.007 1.00 0.00 N ATOM 618 CA ALA A 43 30.096 17.693 16.623 1.00 0.00 C ATOM 619 C ALA A 43 29.492 18.150 15.301 1.00 0.00 C ATOM 620 O ALA A 43 29.372 19.344 15.030 1.00 0.00 O ATOM 621 CB ALA A 43 31.608 17.569 16.516 1.00 0.00 C ATOM 0 H ALA A 43 30.120 15.621 16.939 1.00 0.00 H new ATOM 0 HA ALA A 43 29.885 18.437 17.391 1.00 0.00 H new ATOM 0 HB1 ALA A 43 32.032 18.531 16.227 1.00 0.00 H new ATOM 0 HB2 ALA A 43 32.017 17.266 17.480 1.00 0.00 H new ATOM 0 HB3 ALA A 43 31.859 16.821 15.764 1.00 0.00 H new ATOM 627 N ARG A 44 29.083 17.176 14.497 1.00 0.00 N ATOM 628 CA ARG A 44 28.434 17.449 13.224 1.00 0.00 C ATOM 629 C ARG A 44 26.933 17.673 13.382 1.00 0.00 C ATOM 630 O ARG A 44 26.220 17.799 12.387 1.00 0.00 O ATOM 631 CB ARG A 44 28.680 16.313 12.234 1.00 0.00 C ATOM 632 CG ARG A 44 29.952 16.476 11.422 1.00 0.00 C ATOM 633 CD ARG A 44 30.080 15.392 10.363 1.00 0.00 C ATOM 634 NE ARG A 44 30.495 14.106 10.922 1.00 0.00 N ATOM 635 CZ ARG A 44 29.664 13.106 11.219 1.00 0.00 C ATOM 636 NH1 ARG A 44 28.350 13.254 11.096 1.00 0.00 N ATOM 637 NH2 ARG A 44 30.156 11.948 11.638 1.00 0.00 N ATOM 0 H ARG A 44 29.191 16.184 14.708 1.00 0.00 H new ATOM 0 HA ARG A 44 28.875 18.368 12.837 1.00 0.00 H new ATOM 0 HB2 ARG A 44 28.726 15.371 12.780 1.00 0.00 H new ATOM 0 HB3 ARG A 44 27.831 16.246 11.554 1.00 0.00 H new ATOM 0 HG2 ARG A 44 29.957 17.456 10.944 1.00 0.00 H new ATOM 0 HG3 ARG A 44 30.816 16.441 12.086 1.00 0.00 H new ATOM 0 HD2 ARG A 44 29.123 15.271 9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 44 30.803 15.707 9.611 1.00 0.00 H new ATOM 0 HE ARG A 44 31.490 13.964 11.097 1.00 0.00 H new ATOM 0 HH11 ARG A 44 27.965 14.141 10.771 1.00 0.00 H new ATOM 0 HH12 ARG A 44 27.726 12.481 11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 44 31.164 11.826 11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 44 29.526 11.179 11.867 1.00 0.00 H new ATOM 651 N ILE A 45 26.447 17.725 14.620 1.00 0.00 N ATOM 652 CA ILE A 45 25.047 18.068 14.861 1.00 0.00 C ATOM 653 C ILE A 45 24.792 19.499 14.407 1.00 0.00 C ATOM 654 O ILE A 45 23.795 19.790 13.747 1.00 0.00 O ATOM 655 CB ILE A 45 24.653 17.920 16.352 1.00 0.00 C ATOM 656 CG1 ILE A 45 24.722 16.452 16.791 1.00 0.00 C ATOM 657 CG2 ILE A 45 23.260 18.484 16.606 1.00 0.00 C ATOM 658 CD1 ILE A 45 23.739 15.542 16.087 1.00 0.00 C ATOM 0 H ILE A 45 26.992 17.537 15.461 1.00 0.00 H new ATOM 0 HA ILE A 45 24.434 17.371 14.290 1.00 0.00 H new ATOM 0 HB ILE A 45 25.368 18.491 16.944 1.00 0.00 H new ATOM 0 HG12 ILE A 45 25.732 16.080 16.616 1.00 0.00 H new ATOM 0 HG13 ILE A 45 24.544 16.398 17.865 1.00 0.00 H new ATOM 0 HG21 ILE A 45 23.007 18.368 17.660 1.00 0.00 H new ATOM 0 HG22 ILE A 45 23.242 19.542 16.343 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.533 17.946 15.997 1.00 0.00 H new ATOM 0 HD11 ILE A 45 23.856 14.524 16.458 1.00 0.00 H new ATOM 0 HD12 ILE A 45 22.723 15.884 16.282 1.00 0.00 H new ATOM 0 HD13 ILE A 45 23.929 15.562 15.014 1.00 0.00 H new ATOM 670 N ALA A 46 25.730 20.382 14.734 1.00 0.00 N ATOM 671 CA ALA A 46 25.653 21.773 14.316 1.00 0.00 C ATOM 672 C ALA A 46 25.806 21.883 12.803 1.00 0.00 C ATOM 673 O ALA A 46 25.248 22.780 12.170 1.00 0.00 O ATOM 674 CB ALA A 46 26.719 22.595 15.020 1.00 0.00 C ATOM 0 H ALA A 46 26.555 20.155 15.290 1.00 0.00 H new ATOM 0 HA ALA A 46 24.674 22.166 14.592 1.00 0.00 H new ATOM 0 HB1 ALA A 46 26.649 23.634 14.697 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.569 22.539 16.098 1.00 0.00 H new ATOM 0 HB3 ALA A 46 27.705 22.203 14.770 1.00 0.00 H new ATOM 680 N GLU A 47 26.560 20.952 12.235 1.00 0.00 N ATOM 681 CA GLU A 47 26.759 20.888 10.795 1.00 0.00 C ATOM 682 C GLU A 47 25.462 20.456 10.116 1.00 0.00 C ATOM 683 O GLU A 47 25.123 20.921 9.026 1.00 0.00 O ATOM 684 CB GLU A 47 27.881 19.898 10.473 1.00 0.00 C ATOM 685 CG GLU A 47 28.505 20.091 9.102 1.00 0.00 C ATOM 686 CD GLU A 47 29.217 21.424 8.973 1.00 0.00 C ATOM 687 OE1 GLU A 47 29.926 21.821 9.924 1.00 0.00 O ATOM 688 OE2 GLU A 47 29.073 22.082 7.928 1.00 0.00 O ATOM 0 H GLU A 47 27.048 20.224 12.757 1.00 0.00 H new ATOM 0 HA GLU A 47 27.041 21.873 10.423 1.00 0.00 H new ATOM 0 HB2 GLU A 47 28.659 19.989 11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.487 18.884 10.541 1.00 0.00 H new ATOM 0 HG2 GLU A 47 29.213 19.284 8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.729 20.021 8.340 1.00 0.00 H new ATOM 695 N ALA A 48 24.730 19.574 10.788 1.00 0.00 N ATOM 696 CA ALA A 48 23.441 19.109 10.299 1.00 0.00 C ATOM 697 C ALA A 48 22.437 20.255 10.274 1.00 0.00 C ATOM 698 O ALA A 48 21.597 20.334 9.378 1.00 0.00 O ATOM 699 CB ALA A 48 22.929 17.965 11.163 1.00 0.00 C ATOM 0 H ALA A 48 25.012 19.165 11.679 1.00 0.00 H new ATOM 0 HA ALA A 48 23.566 18.741 9.281 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.964 17.627 10.785 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.640 17.139 11.132 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.816 18.308 12.191 1.00 0.00 H new ATOM 705 N GLU A 49 22.542 21.146 11.258 1.00 0.00 N ATOM 706 CA GLU A 49 21.701 22.339 11.311 1.00 0.00 C ATOM 707 C GLU A 49 21.907 23.185 10.059 1.00 0.00 C ATOM 708 O GLU A 49 20.959 23.744 9.510 1.00 0.00 O ATOM 709 CB GLU A 49 22.028 23.179 12.550 1.00 0.00 C ATOM 710 CG GLU A 49 21.911 22.424 13.864 1.00 0.00 C ATOM 711 CD GLU A 49 22.191 23.307 15.062 1.00 0.00 C ATOM 712 OE1 GLU A 49 23.378 23.526 15.388 1.00 0.00 O ATOM 713 OE2 GLU A 49 21.226 23.798 15.681 1.00 0.00 O ATOM 0 H GLU A 49 23.203 21.064 12.031 1.00 0.00 H new ATOM 0 HA GLU A 49 20.661 22.017 11.366 1.00 0.00 H new ATOM 0 HB2 GLU A 49 23.043 23.566 12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.360 24.040 12.578 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.909 22.004 13.951 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.608 21.586 13.862 1.00 0.00 H new ATOM 720 N LYS A 50 23.157 23.258 9.609 1.00 0.00 N ATOM 721 CA LYS A 50 23.507 24.023 8.419 1.00 0.00 C ATOM 722 C LYS A 50 22.852 23.420 7.185 1.00 0.00 C ATOM 723 O LYS A 50 22.285 24.133 6.356 1.00 0.00 O ATOM 724 CB LYS A 50 25.022 24.042 8.219 1.00 0.00 C ATOM 725 CG LYS A 50 25.806 24.496 9.438 1.00 0.00 C ATOM 726 CD LYS A 50 27.298 24.396 9.183 1.00 0.00 C ATOM 727 CE LYS A 50 28.111 24.709 10.426 1.00 0.00 C ATOM 728 NZ LYS A 50 29.568 24.561 10.176 1.00 0.00 N ATOM 0 H LYS A 50 23.948 22.793 10.055 1.00 0.00 H new ATOM 0 HA LYS A 50 23.147 25.042 8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 50 25.353 23.042 7.940 1.00 0.00 H new ATOM 0 HB3 LYS A 50 25.258 24.700 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.542 25.525 9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.537 23.883 10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.540 23.392 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.576 25.085 8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.899 25.727 10.754 1.00 0.00 H new ATOM 0 HE3 LYS A 50 27.810 24.044 11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 30.100 24.957 10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 29.801 23.553 10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 29.824 25.069 9.305 1.00 0.00 H new ATOM 742 N ALA A 51 22.934 22.101 7.071 1.00 0.00 N ATOM 743 CA ALA A 51 22.376 21.391 5.928 1.00 0.00 C ATOM 744 C ALA A 51 20.851 21.380 5.971 1.00 0.00 C ATOM 745 O ALA A 51 20.195 21.152 4.956 1.00 0.00 O ATOM 746 CB ALA A 51 22.915 19.970 5.878 1.00 0.00 C ATOM 0 H ALA A 51 23.384 21.499 7.760 1.00 0.00 H new ATOM 0 HA ALA A 51 22.680 21.918 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 51 22.490 19.450 5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.001 19.996 5.786 1.00 0.00 H new ATOM 0 HB3 ALA A 51 22.641 19.444 6.793 1.00 0.00 H new ATOM 752 N GLY A 52 20.294 21.635 7.146 1.00 0.00 N ATOM 753 CA GLY A 52 18.854 21.644 7.295 1.00 0.00 C ATOM 754 C GLY A 52 18.313 20.272 7.629 1.00 0.00 C ATOM 755 O GLY A 52 17.166 19.951 7.319 1.00 0.00 O ATOM 0 H GLY A 52 20.815 21.836 8.000 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.575 22.346 8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.396 22.000 6.372 1.00 0.00 H new ATOM 759 N VAL A 53 19.147 19.460 8.261 1.00 0.00 N ATOM 760 CA VAL A 53 18.754 18.118 8.653 1.00 0.00 C ATOM 761 C VAL A 53 17.935 18.168 9.936 1.00 0.00 C ATOM 762 O VAL A 53 18.463 18.429 11.017 1.00 0.00 O ATOM 763 CB VAL A 53 19.982 17.204 8.853 1.00 0.00 C ATOM 764 CG1 VAL A 53 19.552 15.792 9.227 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.845 17.186 7.600 1.00 0.00 C ATOM 0 H VAL A 53 20.103 19.710 8.513 1.00 0.00 H new ATOM 0 HA VAL A 53 18.149 17.700 7.849 1.00 0.00 H new ATOM 0 HB VAL A 53 20.575 17.607 9.674 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.435 15.167 9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.981 15.819 10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.933 15.378 8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.706 16.537 7.760 1.00 0.00 H new ATOM 0 HG22 VAL A 53 20.259 16.812 6.760 1.00 0.00 H new ATOM 0 HG23 VAL A 53 21.189 18.197 7.381 1.00 0.00 H new ATOM 775 N LYS A 54 16.640 17.944 9.798 1.00 0.00 N ATOM 776 CA LYS A 54 15.724 17.983 10.929 1.00 0.00 C ATOM 777 C LYS A 54 15.481 16.580 11.471 1.00 0.00 C ATOM 778 O LYS A 54 15.089 16.403 12.625 1.00 0.00 O ATOM 779 CB LYS A 54 14.401 18.619 10.503 1.00 0.00 C ATOM 780 CG LYS A 54 14.531 20.079 10.099 1.00 0.00 C ATOM 781 CD LYS A 54 13.285 20.563 9.380 1.00 0.00 C ATOM 782 CE LYS A 54 13.336 22.058 9.108 1.00 0.00 C ATOM 783 NZ LYS A 54 12.209 22.494 8.242 1.00 0.00 N ATOM 0 H LYS A 54 16.194 17.731 8.906 1.00 0.00 H new ATOM 0 HA LYS A 54 16.172 18.584 11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.988 18.054 9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.688 18.540 11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.703 20.690 10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.399 20.204 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.177 20.025 8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.406 20.333 9.981 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.302 22.602 10.052 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.282 22.309 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.275 23.519 8.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.256 21.993 7.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.307 22.276 8.711 1.00 0.00 H new ATOM 797 N SER A 55 15.704 15.582 10.630 1.00 0.00 N ATOM 798 CA SER A 55 15.541 14.191 11.026 1.00 0.00 C ATOM 799 C SER A 55 16.460 13.296 10.203 1.00 0.00 C ATOM 800 O SER A 55 16.941 13.694 9.145 1.00 0.00 O ATOM 801 CB SER A 55 14.084 13.754 10.841 1.00 0.00 C ATOM 802 OG SER A 55 13.205 14.567 11.603 1.00 0.00 O ATOM 0 H SER A 55 16.000 15.711 9.663 1.00 0.00 H new ATOM 0 HA SER A 55 15.807 14.097 12.079 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.815 13.812 9.786 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.973 12.712 11.142 1.00 0.00 H new ATOM 0 HG SER A 55 12.282 14.268 11.466 1.00 0.00 H new ATOM 808 N VAL A 56 16.724 12.100 10.702 1.00 0.00 N ATOM 809 CA VAL A 56 17.505 11.126 9.960 1.00 0.00 C ATOM 810 C VAL A 56 16.685 9.860 9.719 1.00 0.00 C ATOM 811 O VAL A 56 15.892 9.453 10.575 1.00 0.00 O ATOM 812 CB VAL A 56 18.824 10.768 10.684 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.756 11.969 10.723 1.00 0.00 C ATOM 814 CG2 VAL A 56 18.555 10.256 12.091 1.00 0.00 C ATOM 0 H VAL A 56 16.409 11.781 11.618 1.00 0.00 H new ATOM 0 HA VAL A 56 17.763 11.580 9.003 1.00 0.00 H new ATOM 0 HB VAL A 56 19.310 9.970 10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.678 11.697 11.236 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.986 12.284 9.705 1.00 0.00 H new ATOM 0 HG13 VAL A 56 19.272 12.788 11.255 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.500 10.012 12.576 1.00 0.00 H new ATOM 0 HG22 VAL A 56 18.040 11.026 12.666 1.00 0.00 H new ATOM 0 HG23 VAL A 56 17.932 9.363 12.040 1.00 0.00 H new ATOM 824 N PRO A 57 16.865 9.217 8.556 1.00 0.00 N ATOM 825 CA PRO A 57 17.839 9.637 7.549 1.00 0.00 C ATOM 826 C PRO A 57 17.337 10.782 6.673 1.00 0.00 C ATOM 827 O PRO A 57 16.133 10.983 6.520 1.00 0.00 O ATOM 828 CB PRO A 57 18.029 8.374 6.715 1.00 0.00 C ATOM 829 CG PRO A 57 16.713 7.680 6.782 1.00 0.00 C ATOM 830 CD PRO A 57 16.114 8.025 8.123 1.00 0.00 C ATOM 0 HA PRO A 57 18.753 10.020 8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.299 8.615 5.687 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.827 7.750 7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.061 8.005 5.971 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.837 6.602 6.678 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.047 8.234 8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.225 7.205 8.832 1.00 0.00 H new ATOM 838 N ALA A 58 18.272 11.524 6.109 1.00 0.00 N ATOM 839 CA ALA A 58 17.953 12.616 5.211 1.00 0.00 C ATOM 840 C ALA A 58 18.925 12.629 4.044 1.00 0.00 C ATOM 841 O ALA A 58 20.137 12.522 4.236 1.00 0.00 O ATOM 842 CB ALA A 58 17.996 13.946 5.948 1.00 0.00 C ATOM 0 H ALA A 58 19.271 11.386 6.261 1.00 0.00 H new ATOM 0 HA ALA A 58 16.943 12.469 4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.754 14.753 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.270 13.935 6.761 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.995 14.104 6.355 1.00 0.00 H new ATOM 848 N LEU A 59 18.393 12.734 2.842 1.00 0.00 N ATOM 849 CA LEU A 59 19.213 12.801 1.648 1.00 0.00 C ATOM 850 C LEU A 59 19.403 14.254 1.237 1.00 0.00 C ATOM 851 O LEU A 59 18.494 14.882 0.690 1.00 0.00 O ATOM 852 CB LEU A 59 18.576 11.997 0.512 1.00 0.00 C ATOM 853 CG LEU A 59 19.403 11.911 -0.774 1.00 0.00 C ATOM 854 CD1 LEU A 59 20.736 11.223 -0.511 1.00 0.00 C ATOM 855 CD2 LEU A 59 18.627 11.174 -1.854 1.00 0.00 C ATOM 0 H LEU A 59 17.389 12.775 2.666 1.00 0.00 H new ATOM 0 HA LEU A 59 20.188 12.365 1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.384 10.985 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.609 12.440 0.273 1.00 0.00 H new ATOM 0 HG LEU A 59 19.605 12.924 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 59 21.308 11.172 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 59 21.298 11.790 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 59 20.558 10.214 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.228 11.121 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.396 10.165 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.699 11.707 -2.063 1.00 0.00 H new ATOM 867 N VAL A 60 20.573 14.789 1.531 1.00 0.00 N ATOM 868 CA VAL A 60 20.882 16.174 1.224 1.00 0.00 C ATOM 869 C VAL A 60 21.387 16.299 -0.208 1.00 0.00 C ATOM 870 O VAL A 60 22.563 16.063 -0.488 1.00 0.00 O ATOM 871 CB VAL A 60 21.939 16.745 2.195 1.00 0.00 C ATOM 872 CG1 VAL A 60 22.154 18.231 1.955 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.537 16.487 3.640 1.00 0.00 C ATOM 0 H VAL A 60 21.331 14.281 1.986 1.00 0.00 H new ATOM 0 HA VAL A 60 19.963 16.749 1.338 1.00 0.00 H new ATOM 0 HB VAL A 60 22.882 16.233 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.903 18.608 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.498 18.388 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 60 21.216 18.764 2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 60 22.295 16.897 4.307 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.579 16.965 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.449 15.413 3.807 1.00 0.00 H new ATOM 883 N ILE A 61 20.489 16.650 -1.113 1.00 0.00 N ATOM 884 CA ILE A 61 20.830 16.777 -2.522 1.00 0.00 C ATOM 885 C ILE A 61 21.210 18.218 -2.847 1.00 0.00 C ATOM 886 O ILE A 61 20.341 19.088 -2.943 1.00 0.00 O ATOM 887 CB ILE A 61 19.658 16.336 -3.428 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.271 14.886 -3.124 1.00 0.00 C ATOM 889 CG2 ILE A 61 20.025 16.492 -4.898 1.00 0.00 C ATOM 890 CD1 ILE A 61 18.104 14.381 -3.944 1.00 0.00 C ATOM 0 H ILE A 61 19.513 16.853 -0.897 1.00 0.00 H new ATOM 0 HA ILE A 61 21.680 16.123 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 61 18.802 16.978 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.134 14.244 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.024 14.800 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.186 16.176 -5.518 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.257 17.536 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 61 20.895 15.875 -5.123 1.00 0.00 H new ATOM 0 HD11 ILE A 61 17.889 13.347 -3.673 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.227 14.998 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.354 14.434 -5.004 1.00 0.00 H new ATOM 902 N ASP A 62 22.516 18.462 -2.963 1.00 0.00 N ATOM 903 CA ASP A 62 23.055 19.783 -3.323 1.00 0.00 C ATOM 904 C ASP A 62 22.779 20.841 -2.253 1.00 0.00 C ATOM 905 O ASP A 62 23.132 22.009 -2.424 1.00 0.00 O ATOM 906 CB ASP A 62 22.502 20.257 -4.674 1.00 0.00 C ATOM 907 CG ASP A 62 23.253 19.680 -5.856 1.00 0.00 C ATOM 908 OD1 ASP A 62 22.906 18.566 -6.311 1.00 0.00 O ATOM 909 OD2 ASP A 62 24.187 20.342 -6.346 1.00 0.00 O ATOM 0 H ASP A 62 23.233 17.753 -2.811 1.00 0.00 H new ATOM 0 HA ASP A 62 24.135 19.661 -3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 62 21.451 19.979 -4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 62 22.548 21.345 -4.718 1.00 0.00 H new ATOM 914 N GLY A 63 22.165 20.437 -1.152 1.00 0.00 N ATOM 915 CA GLY A 63 21.868 21.374 -0.087 1.00 0.00 C ATOM 916 C GLY A 63 20.503 21.142 0.523 1.00 0.00 C ATOM 917 O GLY A 63 20.296 21.394 1.707 1.00 0.00 O ATOM 0 H GLY A 63 21.867 19.478 -0.976 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.629 21.290 0.689 1.00 0.00 H new ATOM 0 HA3 GLY A 63 21.921 22.391 -0.476 1.00 0.00 H new ATOM 921 N ALA A 64 19.573 20.653 -0.286 1.00 0.00 N ATOM 922 CA ALA A 64 18.225 20.375 0.187 1.00 0.00 C ATOM 923 C ALA A 64 18.162 19.001 0.842 1.00 0.00 C ATOM 924 O ALA A 64 18.462 17.989 0.209 1.00 0.00 O ATOM 925 CB ALA A 64 17.231 20.468 -0.961 1.00 0.00 C ATOM 0 H ALA A 64 19.728 20.441 -1.272 1.00 0.00 H new ATOM 0 HA ALA A 64 17.959 21.122 0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.227 20.258 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.258 21.472 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.494 19.742 -1.730 1.00 0.00 H new ATOM 931 N ALA A 65 17.782 18.971 2.111 1.00 0.00 N ATOM 932 CA ALA A 65 17.722 17.725 2.860 1.00 0.00 C ATOM 933 C ALA A 65 16.343 17.091 2.753 1.00 0.00 C ATOM 934 O ALA A 65 15.360 17.619 3.278 1.00 0.00 O ATOM 935 CB ALA A 65 18.087 17.965 4.317 1.00 0.00 C ATOM 0 H ALA A 65 17.510 19.797 2.644 1.00 0.00 H new ATOM 0 HA ALA A 65 18.446 17.033 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.038 17.024 4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.098 18.367 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.387 18.677 4.755 1.00 0.00 H new ATOM 941 N PHE A 66 16.269 15.973 2.051 1.00 0.00 N ATOM 942 CA PHE A 66 15.025 15.230 1.928 1.00 0.00 C ATOM 943 C PHE A 66 15.021 14.058 2.896 1.00 0.00 C ATOM 944 O PHE A 66 15.727 13.072 2.697 1.00 0.00 O ATOM 945 CB PHE A 66 14.829 14.736 0.495 1.00 0.00 C ATOM 946 CG PHE A 66 14.689 15.848 -0.502 1.00 0.00 C ATOM 947 CD1 PHE A 66 13.458 16.442 -0.725 1.00 0.00 C ATOM 948 CD2 PHE A 66 15.787 16.304 -1.210 1.00 0.00 C ATOM 949 CE1 PHE A 66 13.325 17.470 -1.636 1.00 0.00 C ATOM 950 CE2 PHE A 66 15.661 17.331 -2.123 1.00 0.00 C ATOM 951 CZ PHE A 66 14.428 17.915 -2.336 1.00 0.00 C ATOM 0 H PHE A 66 17.058 15.558 1.556 1.00 0.00 H new ATOM 0 HA PHE A 66 14.198 15.896 2.175 1.00 0.00 H new ATOM 0 HB2 PHE A 66 15.676 14.110 0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.940 14.106 0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 66 12.592 16.097 -0.180 1.00 0.00 H new ATOM 0 HD2 PHE A 66 16.754 15.851 -1.046 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.360 17.925 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.525 17.677 -2.670 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.327 18.719 -3.050 1.00 0.00 H new ATOM 961 N HIS A 67 14.235 14.185 3.949 1.00 0.00 N ATOM 962 CA HIS A 67 14.168 13.170 4.989 1.00 0.00 C ATOM 963 C HIS A 67 13.484 11.920 4.460 1.00 0.00 C ATOM 964 O HIS A 67 12.486 12.010 3.749 1.00 0.00 O ATOM 965 CB HIS A 67 13.409 13.711 6.205 1.00 0.00 C ATOM 966 CG HIS A 67 13.955 15.009 6.718 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.422 16.241 6.415 1.00 0.00 N ATOM 968 CD2 HIS A 67 15.014 15.252 7.525 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.155 17.173 7.032 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.139 16.625 7.719 1.00 0.00 N ATOM 0 H HIS A 67 13.628 14.989 4.109 1.00 0.00 H new ATOM 0 HA HIS A 67 15.183 12.912 5.293 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.361 13.846 5.939 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.442 12.970 7.004 1.00 0.00 H new ATOM 0 HD1 HIS A 67 12.609 16.413 5.823 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.660 14.499 7.951 1.00 0.00 H new ATOM 0 HE1 HIS A 67 13.967 18.235 6.976 1.00 0.00 H new ATOM 978 N ILE A 68 14.026 10.763 4.795 1.00 0.00 N ATOM 979 CA ILE A 68 13.470 9.504 4.331 1.00 0.00 C ATOM 980 C ILE A 68 12.799 8.773 5.483 1.00 0.00 C ATOM 981 O ILE A 68 13.474 8.216 6.351 1.00 0.00 O ATOM 982 CB ILE A 68 14.551 8.597 3.705 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.316 9.356 2.613 1.00 0.00 C ATOM 984 CG2 ILE A 68 13.912 7.338 3.131 1.00 0.00 C ATOM 985 CD1 ILE A 68 16.454 8.565 2.004 1.00 0.00 C ATOM 0 H ILE A 68 14.851 10.669 5.387 1.00 0.00 H new ATOM 0 HA ILE A 68 12.734 9.735 3.561 1.00 0.00 H new ATOM 0 HB ILE A 68 15.258 8.305 4.482 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.619 9.639 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.712 10.280 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.684 6.706 2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.405 6.792 3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.189 7.614 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 68 16.947 9.166 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.173 8.304 2.781 1.00 0.00 H new ATOM 0 HD13 ILE A 68 16.063 7.654 1.551 1.00 0.00 H new ATOM 997 N ASN A 69 11.468 8.798 5.485 1.00 0.00 N ATOM 998 CA ASN A 69 10.667 8.177 6.543 1.00 0.00 C ATOM 999 C ASN A 69 10.856 8.910 7.866 1.00 0.00 C ATOM 1000 O ASN A 69 11.525 9.941 7.934 1.00 0.00 O ATOM 1001 CB ASN A 69 11.030 6.696 6.725 1.00 0.00 C ATOM 1002 CG ASN A 69 10.713 5.848 5.511 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.747 6.102 4.788 1.00 0.00 O ATOM 1004 ND2 ASN A 69 11.532 4.835 5.272 1.00 0.00 N ATOM 0 H ASN A 69 10.914 9.247 4.756 1.00 0.00 H new ATOM 0 HA ASN A 69 9.623 8.246 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.094 6.615 6.949 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.492 6.300 7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.375 4.231 4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.320 4.659 5.895 1.00 0.00 H new ATOM 1011 N PHE A 70 10.250 8.382 8.916 1.00 0.00 N ATOM 1012 CA PHE A 70 10.423 8.933 10.246 1.00 0.00 C ATOM 1013 C PHE A 70 11.324 8.017 11.061 1.00 0.00 C ATOM 1014 O PHE A 70 10.919 6.926 11.460 1.00 0.00 O ATOM 1015 CB PHE A 70 9.067 9.110 10.937 1.00 0.00 C ATOM 1016 CG PHE A 70 9.152 9.809 12.266 1.00 0.00 C ATOM 1017 CD1 PHE A 70 9.245 11.190 12.330 1.00 0.00 C ATOM 1018 CD2 PHE A 70 9.140 9.086 13.449 1.00 0.00 C ATOM 1019 CE1 PHE A 70 9.324 11.837 13.549 1.00 0.00 C ATOM 1020 CE2 PHE A 70 9.220 9.729 14.670 1.00 0.00 C ATOM 1021 CZ PHE A 70 9.311 11.105 14.719 1.00 0.00 C ATOM 0 H PHE A 70 9.633 7.571 8.871 1.00 0.00 H new ATOM 0 HA PHE A 70 10.890 9.915 10.167 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.406 9.676 10.281 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.612 8.130 11.080 1.00 0.00 H new ATOM 0 HD1 PHE A 70 9.256 11.767 11.417 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.067 8.009 13.416 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.396 12.914 13.586 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.211 9.155 15.585 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.372 11.609 15.672 1.00 0.00 H new ATOM 1031 N GLY A 71 12.559 8.444 11.266 1.00 0.00 N ATOM 1032 CA GLY A 71 13.487 7.656 12.044 1.00 0.00 C ATOM 1033 C GLY A 71 13.814 8.311 13.365 1.00 0.00 C ATOM 1034 O GLY A 71 13.264 7.946 14.404 1.00 0.00 O ATOM 0 H GLY A 71 12.935 9.322 10.907 1.00 0.00 H new ATOM 0 HA2 GLY A 71 13.062 6.668 12.224 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.405 7.509 11.475 1.00 0.00 H new ATOM 1038 N ALA A 72 14.700 9.289 13.324 1.00 0.00 N ATOM 1039 CA ALA A 72 15.100 10.004 14.523 1.00 0.00 C ATOM 1040 C ALA A 72 15.228 11.492 14.237 1.00 0.00 C ATOM 1041 O ALA A 72 16.005 11.897 13.372 1.00 0.00 O ATOM 1042 CB ALA A 72 16.413 9.450 15.057 1.00 0.00 C ATOM 0 H ALA A 72 15.158 9.608 12.470 1.00 0.00 H new ATOM 0 HA ALA A 72 14.331 9.864 15.282 1.00 0.00 H new ATOM 0 HB1 ALA A 72 16.700 9.996 15.956 1.00 0.00 H new ATOM 0 HB2 ALA A 72 16.291 8.394 15.297 1.00 0.00 H new ATOM 0 HB3 ALA A 72 17.190 9.563 14.301 1.00 0.00 H new ATOM 1048 N GLY A 73 14.444 12.297 14.938 1.00 0.00 N ATOM 1049 CA GLY A 73 14.537 13.734 14.786 1.00 0.00 C ATOM 1050 C GLY A 73 15.809 14.279 15.399 1.00 0.00 C ATOM 1051 O GLY A 73 16.317 13.724 16.376 1.00 0.00 O ATOM 0 H GLY A 73 13.745 11.981 15.610 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.504 13.991 13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.675 14.207 15.256 1.00 0.00 H new ATOM 1055 N ILE A 74 16.322 15.368 14.836 1.00 0.00 N ATOM 1056 CA ILE A 74 17.567 15.961 15.312 1.00 0.00 C ATOM 1057 C ILE A 74 17.438 16.405 16.769 1.00 0.00 C ATOM 1058 O ILE A 74 18.417 16.418 17.506 1.00 0.00 O ATOM 1059 CB ILE A 74 18.013 17.156 14.431 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.383 17.680 14.885 1.00 0.00 C ATOM 1061 CG2 ILE A 74 16.976 18.272 14.460 1.00 0.00 C ATOM 1062 CD1 ILE A 74 19.911 18.827 14.049 1.00 0.00 C ATOM 0 H ILE A 74 15.895 15.858 14.050 1.00 0.00 H new ATOM 0 HA ILE A 74 18.333 15.189 15.243 1.00 0.00 H new ATOM 0 HB ILE A 74 18.101 16.804 13.403 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.311 18.004 15.923 1.00 0.00 H new ATOM 0 HG13 ILE A 74 20.102 16.861 14.855 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.313 19.098 13.834 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.025 17.895 14.083 1.00 0.00 H new ATOM 0 HG23 ILE A 74 16.847 18.622 15.484 1.00 0.00 H new ATOM 0 HD11 ILE A 74 20.882 19.140 14.433 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.017 18.504 13.014 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.214 19.664 14.098 1.00 0.00 H new ATOM 1074 N ASP A 75 16.218 16.727 17.188 1.00 0.00 N ATOM 1075 CA ASP A 75 15.961 17.164 18.560 1.00 0.00 C ATOM 1076 C ASP A 75 16.378 16.102 19.573 1.00 0.00 C ATOM 1077 O ASP A 75 16.917 16.421 20.635 1.00 0.00 O ATOM 1078 CB ASP A 75 14.480 17.497 18.746 1.00 0.00 C ATOM 1079 CG ASP A 75 14.144 17.835 20.187 1.00 0.00 C ATOM 1080 OD1 ASP A 75 14.602 18.885 20.681 1.00 0.00 O ATOM 1081 OD2 ASP A 75 13.423 17.044 20.838 1.00 0.00 O ATOM 0 H ASP A 75 15.388 16.694 16.596 1.00 0.00 H new ATOM 0 HA ASP A 75 16.559 18.058 18.735 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.216 18.339 18.106 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.876 16.649 18.423 1.00 0.00 H new ATOM 1086 N ASP A 76 16.152 14.839 19.233 1.00 0.00 N ATOM 1087 CA ASP A 76 16.451 13.737 20.145 1.00 0.00 C ATOM 1088 C ASP A 76 17.944 13.431 20.159 1.00 0.00 C ATOM 1089 O ASP A 76 18.436 12.737 21.046 1.00 0.00 O ATOM 1090 CB ASP A 76 15.678 12.475 19.754 1.00 0.00 C ATOM 1091 CG ASP A 76 14.175 12.652 19.826 1.00 0.00 C ATOM 1092 OD1 ASP A 76 13.659 13.008 20.903 1.00 0.00 O ATOM 1093 OD2 ASP A 76 13.497 12.423 18.805 1.00 0.00 O ATOM 0 H ASP A 76 15.764 14.551 18.335 1.00 0.00 H new ATOM 0 HA ASP A 76 16.141 14.048 21.143 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.956 12.186 18.740 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.973 11.657 20.411 1.00 0.00 H new ATOM 1098 N LEU A 77 18.654 13.942 19.165 1.00 0.00 N ATOM 1099 CA LEU A 77 20.094 13.745 19.069 1.00 0.00 C ATOM 1100 C LEU A 77 20.832 14.977 19.581 1.00 0.00 C ATOM 1101 O LEU A 77 21.950 14.883 20.087 1.00 0.00 O ATOM 1102 CB LEU A 77 20.496 13.465 17.618 1.00 0.00 C ATOM 1103 CG LEU A 77 19.851 12.228 16.987 1.00 0.00 C ATOM 1104 CD1 LEU A 77 20.265 12.100 15.531 1.00 0.00 C ATOM 1105 CD2 LEU A 77 20.229 10.974 17.762 1.00 0.00 C ATOM 0 H LEU A 77 18.255 14.499 18.409 1.00 0.00 H new ATOM 0 HA LEU A 77 20.367 12.888 19.684 1.00 0.00 H new ATOM 0 HB2 LEU A 77 20.241 14.335 17.013 1.00 0.00 H new ATOM 0 HB3 LEU A 77 21.579 13.352 17.574 1.00 0.00 H new ATOM 0 HG LEU A 77 18.768 12.343 17.030 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.798 11.216 15.096 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.945 12.986 14.983 1.00 0.00 H new ATOM 0 HD13 LEU A 77 21.349 12.006 15.468 1.00 0.00 H new ATOM 0 HD21 LEU A 77 19.761 10.105 17.299 1.00 0.00 H new ATOM 0 HD22 LEU A 77 21.312 10.852 17.751 1.00 0.00 H new ATOM 0 HD23 LEU A 77 19.885 11.065 18.792 1.00 0.00 H new ATOM 1117 N LYS A 78 20.193 16.128 19.447 1.00 0.00 N ATOM 1118 CA LYS A 78 20.781 17.395 19.853 1.00 0.00 C ATOM 1119 C LYS A 78 20.609 17.616 21.350 1.00 0.00 C ATOM 1120 O LYS A 78 21.532 18.064 22.029 1.00 0.00 O ATOM 1121 CB LYS A 78 20.131 18.538 19.069 1.00 0.00 C ATOM 1122 CG LYS A 78 20.816 19.883 19.240 1.00 0.00 C ATOM 1123 CD LYS A 78 20.159 20.942 18.371 1.00 0.00 C ATOM 1124 CE LYS A 78 20.927 22.252 18.399 1.00 0.00 C ATOM 1125 NZ LYS A 78 20.929 22.881 19.745 1.00 0.00 N ATOM 0 H LYS A 78 19.255 16.211 19.055 1.00 0.00 H new ATOM 0 HA LYS A 78 21.849 17.372 19.636 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.124 18.279 18.010 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.091 18.631 19.381 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.772 20.187 20.286 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.870 19.794 18.977 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.094 20.581 17.345 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.138 21.112 18.714 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.955 22.074 18.083 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.488 22.943 17.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 21.436 23.788 19.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.949 23.046 20.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 21.403 22.250 20.422 1.00 0.00 H new ATOM 1177 N ALA B 2 14.841 -2.827 -14.971 1.00 0.00 N ATOM 1178 CA ALA B 2 14.893 -1.653 -14.120 1.00 0.00 C ATOM 1179 C ALA B 2 13.823 -1.715 -13.041 1.00 0.00 C ATOM 1180 O ALA B 2 12.700 -2.156 -13.289 1.00 0.00 O ATOM 1181 CB ALA B 2 14.721 -0.396 -14.957 1.00 0.00 C ATOM 0 HA ALA B 2 15.867 -1.627 -13.631 1.00 0.00 H new ATOM 0 HB1 ALA B 2 14.761 0.480 -14.310 1.00 0.00 H new ATOM 0 HB2 ALA B 2 15.520 -0.339 -15.696 1.00 0.00 H new ATOM 0 HB3 ALA B 2 13.758 -0.427 -15.466 1.00 0.00 H new ATOM 1187 N SER B 3 14.181 -1.293 -11.839 1.00 0.00 N ATOM 1188 CA SER B 3 13.221 -1.183 -10.756 1.00 0.00 C ATOM 1189 C SER B 3 12.360 0.058 -10.967 1.00 0.00 C ATOM 1190 O SER B 3 12.864 1.113 -11.360 1.00 0.00 O ATOM 1191 CB SER B 3 13.952 -1.119 -9.415 1.00 0.00 C ATOM 1192 OG SER B 3 14.784 -2.256 -9.243 1.00 0.00 O ATOM 0 H SER B 3 15.132 -1.021 -11.590 1.00 0.00 H new ATOM 0 HA SER B 3 12.574 -2.060 -10.748 1.00 0.00 H new ATOM 0 HB2 SER B 3 14.553 -0.211 -9.366 1.00 0.00 H new ATOM 0 HB3 SER B 3 13.228 -1.066 -8.602 1.00 0.00 H new ATOM 0 HG SER B 3 15.245 -2.197 -8.380 1.00 0.00 H new ATOM 1198 N LYS B 4 11.066 -0.072 -10.725 1.00 0.00 N ATOM 1199 CA LYS B 4 10.129 0.999 -11.027 1.00 0.00 C ATOM 1200 C LYS B 4 10.014 1.985 -9.865 1.00 0.00 C ATOM 1201 O LYS B 4 9.448 1.669 -8.822 1.00 0.00 O ATOM 1202 CB LYS B 4 8.756 0.415 -11.364 1.00 0.00 C ATOM 1203 CG LYS B 4 7.808 1.427 -11.975 1.00 0.00 C ATOM 1204 CD LYS B 4 6.465 0.806 -12.314 1.00 0.00 C ATOM 1205 CE LYS B 4 5.612 1.764 -13.125 1.00 0.00 C ATOM 1206 NZ LYS B 4 4.232 1.257 -13.335 1.00 0.00 N ATOM 0 H LYS B 4 10.640 -0.906 -10.321 1.00 0.00 H new ATOM 0 HA LYS B 4 10.509 1.545 -11.891 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.883 -0.418 -12.056 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.308 0.010 -10.456 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.661 2.254 -11.280 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.254 1.844 -12.878 1.00 0.00 H new ATOM 0 HD2 LYS B 4 6.618 -0.115 -12.876 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.943 0.536 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS B 4 5.569 2.727 -12.616 1.00 0.00 H new ATOM 0 HE3 LYS B 4 6.084 1.936 -14.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.705 1.922 -13.936 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.271 0.327 -13.799 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.752 1.166 -12.417 1.00 0.00 H new ATOM 1220 N ALA B 5 10.552 3.179 -10.058 1.00 0.00 N ATOM 1221 CA ALA B 5 10.510 4.213 -9.036 1.00 0.00 C ATOM 1222 C ALA B 5 9.226 5.027 -9.149 1.00 0.00 C ATOM 1223 O ALA B 5 9.075 5.849 -10.051 1.00 0.00 O ATOM 1224 CB ALA B 5 11.729 5.117 -9.146 1.00 0.00 C ATOM 0 H ALA B 5 11.025 3.457 -10.918 1.00 0.00 H new ATOM 0 HA ALA B 5 10.524 3.732 -8.058 1.00 0.00 H new ATOM 0 HB1 ALA B 5 11.683 5.886 -8.374 1.00 0.00 H new ATOM 0 HB2 ALA B 5 12.634 4.525 -9.014 1.00 0.00 H new ATOM 0 HB3 ALA B 5 11.744 5.589 -10.128 1.00 0.00 H new ATOM 1230 N ILE B 6 8.300 4.782 -8.238 1.00 0.00 N ATOM 1231 CA ILE B 6 7.013 5.458 -8.247 1.00 0.00 C ATOM 1232 C ILE B 6 7.037 6.666 -7.325 1.00 0.00 C ATOM 1233 O ILE B 6 7.329 6.547 -6.138 1.00 0.00 O ATOM 1234 CB ILE B 6 5.879 4.514 -7.796 1.00 0.00 C ATOM 1235 CG1 ILE B 6 5.849 3.255 -8.663 1.00 0.00 C ATOM 1236 CG2 ILE B 6 4.538 5.230 -7.856 1.00 0.00 C ATOM 1237 CD1 ILE B 6 5.560 3.537 -10.120 1.00 0.00 C ATOM 0 H ILE B 6 8.417 4.114 -7.476 1.00 0.00 H new ATOM 0 HA ILE B 6 6.825 5.777 -9.272 1.00 0.00 H new ATOM 0 HB ILE B 6 6.070 4.217 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.809 2.744 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.092 2.574 -8.275 1.00 0.00 H new ATOM 0 HG21 ILE B 6 3.748 4.551 -7.535 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.560 6.099 -7.198 1.00 0.00 H new ATOM 0 HG23 ILE B 6 4.344 5.554 -8.878 1.00 0.00 H new ATOM 0 HD11 ILE B 6 5.553 2.600 -10.678 1.00 0.00 H new ATOM 0 HD12 ILE B 6 4.587 4.020 -10.211 1.00 0.00 H new ATOM 0 HD13 ILE B 6 6.331 4.194 -10.523 1.00 0.00 H new ATOM 1249 N PHE B 7 6.733 7.829 -7.865 1.00 0.00 N ATOM 1250 CA PHE B 7 6.683 9.038 -7.069 1.00 0.00 C ATOM 1251 C PHE B 7 5.236 9.430 -6.801 1.00 0.00 C ATOM 1252 O PHE B 7 4.544 9.922 -7.690 1.00 0.00 O ATOM 1253 CB PHE B 7 7.427 10.179 -7.771 1.00 0.00 C ATOM 1254 CG PHE B 7 7.472 11.452 -6.975 1.00 0.00 C ATOM 1255 CD1 PHE B 7 8.274 11.551 -5.849 1.00 0.00 C ATOM 1256 CD2 PHE B 7 6.713 12.549 -7.350 1.00 0.00 C ATOM 1257 CE1 PHE B 7 8.318 12.719 -5.114 1.00 0.00 C ATOM 1258 CE2 PHE B 7 6.753 13.719 -6.619 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.556 13.804 -5.500 1.00 0.00 C ATOM 0 H PHE B 7 6.517 7.962 -8.853 1.00 0.00 H new ATOM 0 HA PHE B 7 7.176 8.846 -6.116 1.00 0.00 H new ATOM 0 HB2 PHE B 7 8.447 9.858 -7.985 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.948 10.377 -8.730 1.00 0.00 H new ATOM 0 HD1 PHE B 7 8.871 10.705 -5.543 1.00 0.00 H new ATOM 0 HD2 PHE B 7 6.083 12.488 -8.225 1.00 0.00 H new ATOM 0 HE1 PHE B 7 8.947 12.784 -4.239 1.00 0.00 H new ATOM 0 HE2 PHE B 7 6.157 14.567 -6.922 1.00 0.00 H new ATOM 0 HZ PHE B 7 7.588 14.719 -4.926 1.00 0.00 H new ATOM 1269 N TYR B 8 4.777 9.184 -5.583 1.00 0.00 N ATOM 1270 CA TYR B 8 3.422 9.549 -5.193 1.00 0.00 C ATOM 1271 C TYR B 8 3.399 10.959 -4.631 1.00 0.00 C ATOM 1272 O TYR B 8 4.169 11.284 -3.723 1.00 0.00 O ATOM 1273 CB TYR B 8 2.861 8.577 -4.149 1.00 0.00 C ATOM 1274 CG TYR B 8 2.424 7.241 -4.707 1.00 0.00 C ATOM 1275 CD1 TYR B 8 1.268 7.130 -5.465 1.00 0.00 C ATOM 1276 CD2 TYR B 8 3.160 6.091 -4.464 1.00 0.00 C ATOM 1277 CE1 TYR B 8 0.857 5.911 -5.969 1.00 0.00 C ATOM 1278 CE2 TYR B 8 2.755 4.866 -4.963 1.00 0.00 C ATOM 1279 CZ TYR B 8 1.604 4.782 -5.715 1.00 0.00 C ATOM 1280 OH TYR B 8 1.199 3.565 -6.214 1.00 0.00 O ATOM 0 H TYR B 8 5.322 8.734 -4.848 1.00 0.00 H new ATOM 0 HA TYR B 8 2.797 9.499 -6.085 1.00 0.00 H new ATOM 0 HB2 TYR B 8 3.620 8.407 -3.385 1.00 0.00 H new ATOM 0 HB3 TYR B 8 2.010 9.046 -3.655 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.678 8.012 -5.665 1.00 0.00 H new ATOM 0 HD2 TYR B 8 4.064 6.153 -3.876 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -0.045 5.844 -6.559 1.00 0.00 H new ATOM 0 HE2 TYR B 8 3.339 3.979 -4.764 1.00 0.00 H new ATOM 0 HH TYR B 8 1.837 2.872 -5.944 1.00 0.00 H new ATOM 1290 N HIS B 9 2.528 11.797 -5.167 1.00 0.00 N ATOM 1291 CA HIS B 9 2.401 13.159 -4.678 1.00 0.00 C ATOM 1292 C HIS B 9 0.937 13.595 -4.668 1.00 0.00 C ATOM 1293 O HIS B 9 0.049 12.824 -5.040 1.00 0.00 O ATOM 1294 CB HIS B 9 3.256 14.120 -5.515 1.00 0.00 C ATOM 1295 CG HIS B 9 2.715 14.424 -6.878 1.00 0.00 C ATOM 1296 ND1 HIS B 9 2.025 15.586 -7.123 1.00 0.00 N ATOM 1297 CD2 HIS B 9 2.806 13.711 -8.023 1.00 0.00 C ATOM 1298 CE1 HIS B 9 1.711 15.555 -8.405 1.00 0.00 C ATOM 1299 NE2 HIS B 9 2.167 14.441 -8.994 1.00 0.00 N ATOM 0 H HIS B 9 1.902 11.560 -5.936 1.00 0.00 H new ATOM 0 HA HIS B 9 2.769 13.189 -3.652 1.00 0.00 H new ATOM 0 HB2 HIS B 9 3.366 15.056 -4.967 1.00 0.00 H new ATOM 0 HB3 HIS B 9 4.254 13.695 -5.623 1.00 0.00 H new ATOM 0 HD2 HIS B 9 3.288 12.753 -8.149 1.00 0.00 H new ATOM 0 HE1 HIS B 9 1.157 16.329 -8.915 1.00 0.00 H new ATOM 0 HE2 HIS B 9 2.060 14.185 -9.975 1.00 0.00 H new ATOM 1307 N ALA B 10 0.692 14.829 -4.239 1.00 0.00 N ATOM 1308 CA ALA B 10 -0.668 15.331 -4.099 1.00 0.00 C ATOM 1309 C ALA B 10 -0.788 16.769 -4.596 1.00 0.00 C ATOM 1310 O ALA B 10 -1.730 17.480 -4.244 1.00 0.00 O ATOM 1311 CB ALA B 10 -1.109 15.234 -2.645 1.00 0.00 C ATOM 0 H ALA B 10 1.418 15.498 -3.983 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.322 14.714 -4.715 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -2.127 15.611 -2.548 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.075 14.193 -2.323 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.441 15.828 -2.022 1.00 0.00 H new ATOM 1317 N GLY B 11 0.166 17.196 -5.417 1.00 0.00 N ATOM 1318 CA GLY B 11 0.120 18.537 -5.976 1.00 0.00 C ATOM 1319 C GLY B 11 0.768 19.579 -5.083 1.00 0.00 C ATOM 1320 O GLY B 11 1.066 20.685 -5.533 1.00 0.00 O ATOM 0 H GLY B 11 0.970 16.639 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY B 11 0.619 18.537 -6.945 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -0.919 18.815 -6.153 1.00 0.00 H new ATOM 1324 N CYS B 12 0.986 19.222 -3.821 1.00 0.00 N ATOM 1325 CA CYS B 12 1.595 20.122 -2.842 1.00 0.00 C ATOM 1326 C CYS B 12 2.949 20.642 -3.332 1.00 0.00 C ATOM 1327 O CYS B 12 3.656 19.945 -4.058 1.00 0.00 O ATOM 1328 CB CYS B 12 1.773 19.378 -1.519 1.00 0.00 C ATOM 1329 SG CYS B 12 0.312 18.446 -1.010 1.00 0.00 S ATOM 0 H CYS B 12 0.747 18.304 -3.447 1.00 0.00 H new ATOM 0 HA CYS B 12 0.937 20.980 -2.703 1.00 0.00 H new ATOM 0 HB2 CYS B 12 2.617 18.694 -1.607 1.00 0.00 H new ATOM 0 HB3 CYS B 12 2.025 20.096 -0.739 1.00 0.00 H new ATOM 0 HG CYS B 12 0.551 17.846 0.118 1.00 0.00 H new ATOM 1335 N PRO B 13 3.336 21.867 -2.931 1.00 0.00 N ATOM 1336 CA PRO B 13 4.612 22.477 -3.342 1.00 0.00 C ATOM 1337 C PRO B 13 5.825 21.603 -3.008 1.00 0.00 C ATOM 1338 O PRO B 13 6.866 21.695 -3.660 1.00 0.00 O ATOM 1339 CB PRO B 13 4.658 23.783 -2.544 1.00 0.00 C ATOM 1340 CG PRO B 13 3.233 24.094 -2.246 1.00 0.00 C ATOM 1341 CD PRO B 13 2.553 22.767 -2.062 1.00 0.00 C ATOM 0 HA PRO B 13 4.659 22.617 -4.422 1.00 0.00 H new ATOM 0 HB2 PRO B 13 5.238 23.667 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO B 13 5.126 24.582 -3.119 1.00 0.00 H new ATOM 0 HG2 PRO B 13 3.146 24.706 -1.348 1.00 0.00 H new ATOM 0 HG3 PRO B 13 2.777 24.657 -3.060 1.00 0.00 H new ATOM 0 HD2 PRO B 13 2.576 22.443 -1.021 1.00 0.00 H new ATOM 0 HD3 PRO B 13 1.506 22.806 -2.361 1.00 0.00 H new ATOM 1349 N VAL B 14 5.677 20.754 -1.993 1.00 0.00 N ATOM 1350 CA VAL B 14 6.730 19.818 -1.602 1.00 0.00 C ATOM 1351 C VAL B 14 7.079 18.872 -2.753 1.00 0.00 C ATOM 1352 O VAL B 14 8.237 18.486 -2.928 1.00 0.00 O ATOM 1353 CB VAL B 14 6.301 18.978 -0.374 1.00 0.00 C ATOM 1354 CG1 VAL B 14 7.427 18.061 0.083 1.00 0.00 C ATOM 1355 CG2 VAL B 14 5.854 19.879 0.766 1.00 0.00 C ATOM 0 H VAL B 14 4.833 20.695 -1.423 1.00 0.00 H new ATOM 0 HA VAL B 14 7.607 20.412 -1.344 1.00 0.00 H new ATOM 0 HB VAL B 14 5.458 18.356 -0.674 1.00 0.00 H new ATOM 0 HG11 VAL B 14 7.098 17.483 0.947 1.00 0.00 H new ATOM 0 HG12 VAL B 14 7.695 17.382 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL B 14 8.296 18.660 0.357 1.00 0.00 H new ATOM 0 HG21 VAL B 14 5.557 19.268 1.618 1.00 0.00 H new ATOM 0 HG22 VAL B 14 6.676 20.532 1.057 1.00 0.00 H new ATOM 0 HG23 VAL B 14 5.008 20.484 0.441 1.00 0.00 H new ATOM 1365 N CYS B 15 6.072 18.530 -3.553 1.00 0.00 N ATOM 1366 CA CYS B 15 6.237 17.571 -4.637 1.00 0.00 C ATOM 1367 C CYS B 15 7.218 18.094 -5.682 1.00 0.00 C ATOM 1368 O CYS B 15 8.082 17.356 -6.154 1.00 0.00 O ATOM 1369 CB CYS B 15 4.885 17.289 -5.291 1.00 0.00 C ATOM 1370 SG CYS B 15 3.537 17.057 -4.105 1.00 0.00 S ATOM 0 H CYS B 15 5.128 18.907 -3.468 1.00 0.00 H new ATOM 0 HA CYS B 15 6.639 16.647 -4.220 1.00 0.00 H new ATOM 0 HB2 CYS B 15 4.634 18.115 -5.956 1.00 0.00 H new ATOM 0 HB3 CYS B 15 4.970 16.396 -5.910 1.00 0.00 H new ATOM 0 HG CYS B 15 3.258 18.193 -3.538 1.00 0.00 H new ATOM 1376 N VAL B 16 7.091 19.376 -6.014 1.00 0.00 N ATOM 1377 CA VAL B 16 7.938 20.004 -7.023 1.00 0.00 C ATOM 1378 C VAL B 16 9.411 19.898 -6.640 1.00 0.00 C ATOM 1379 O VAL B 16 10.246 19.484 -7.447 1.00 0.00 O ATOM 1380 CB VAL B 16 7.570 21.491 -7.215 1.00 0.00 C ATOM 1381 CG1 VAL B 16 8.406 22.121 -8.320 1.00 0.00 C ATOM 1382 CG2 VAL B 16 6.087 21.641 -7.515 1.00 0.00 C ATOM 0 H VAL B 16 6.405 20.004 -5.595 1.00 0.00 H new ATOM 0 HA VAL B 16 7.770 19.473 -7.960 1.00 0.00 H new ATOM 0 HB VAL B 16 7.789 22.016 -6.285 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.127 23.168 -8.435 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.462 22.053 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.228 21.593 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.847 22.696 -7.647 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.843 21.097 -8.427 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.505 21.238 -6.686 1.00 0.00 H new ATOM 1392 N SER B 17 9.714 20.252 -5.399 1.00 0.00 N ATOM 1393 CA SER B 17 11.081 20.216 -4.900 1.00 0.00 C ATOM 1394 C SER B 17 11.647 18.797 -4.956 1.00 0.00 C ATOM 1395 O SER B 17 12.806 18.592 -5.329 1.00 0.00 O ATOM 1396 CB SER B 17 11.115 20.752 -3.468 1.00 0.00 C ATOM 1397 OG SER B 17 10.505 22.032 -3.399 1.00 0.00 O ATOM 0 H SER B 17 9.026 20.569 -4.716 1.00 0.00 H new ATOM 0 HA SER B 17 11.704 20.846 -5.535 1.00 0.00 H new ATOM 0 HB2 SER B 17 10.598 20.060 -2.803 1.00 0.00 H new ATOM 0 HB3 SER B 17 12.147 20.816 -3.122 1.00 0.00 H new ATOM 0 HG SER B 17 10.534 22.359 -2.476 1.00 0.00 H new ATOM 1403 N ALA B 18 10.815 17.821 -4.612 1.00 0.00 N ATOM 1404 CA ALA B 18 11.233 16.427 -4.614 1.00 0.00 C ATOM 1405 C ALA B 18 11.414 15.912 -6.040 1.00 0.00 C ATOM 1406 O ALA B 18 12.326 15.131 -6.314 1.00 0.00 O ATOM 1407 CB ALA B 18 10.227 15.574 -3.859 1.00 0.00 C ATOM 0 H ALA B 18 9.847 17.971 -4.328 1.00 0.00 H new ATOM 0 HA ALA B 18 12.196 16.358 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA B 18 10.552 14.534 -3.869 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.155 15.922 -2.829 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.251 15.653 -4.338 1.00 0.00 H new ATOM 1413 N GLU B 19 10.553 16.358 -6.944 1.00 0.00 N ATOM 1414 CA GLU B 19 10.628 15.950 -8.341 1.00 0.00 C ATOM 1415 C GLU B 19 11.894 16.488 -8.999 1.00 0.00 C ATOM 1416 O GLU B 19 12.636 15.744 -9.641 1.00 0.00 O ATOM 1417 CB GLU B 19 9.403 16.446 -9.109 1.00 0.00 C ATOM 1418 CG GLU B 19 9.399 16.037 -10.573 1.00 0.00 C ATOM 1419 CD GLU B 19 8.305 16.724 -11.361 1.00 0.00 C ATOM 1420 OE1 GLU B 19 7.123 16.348 -11.209 1.00 0.00 O ATOM 1421 OE2 GLU B 19 8.619 17.658 -12.128 1.00 0.00 O ATOM 0 H GLU B 19 9.792 17.004 -6.735 1.00 0.00 H new ATOM 0 HA GLU B 19 10.654 14.861 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU B 19 8.503 16.061 -8.630 1.00 0.00 H new ATOM 0 HB3 GLU B 19 9.359 17.533 -9.043 1.00 0.00 H new ATOM 0 HG2 GLU B 19 10.366 16.274 -11.016 1.00 0.00 H new ATOM 0 HG3 GLU B 19 9.272 14.957 -10.645 1.00 0.00 H new ATOM 1428 N GLN B 20 12.138 17.781 -8.826 1.00 0.00 N ATOM 1429 CA GLN B 20 13.273 18.436 -9.468 1.00 0.00 C ATOM 1430 C GLN B 20 14.597 17.931 -8.909 1.00 0.00 C ATOM 1431 O GLN B 20 15.608 17.929 -9.607 1.00 0.00 O ATOM 1432 CB GLN B 20 13.186 19.953 -9.301 1.00 0.00 C ATOM 1433 CG GLN B 20 11.933 20.562 -9.909 1.00 0.00 C ATOM 1434 CD GLN B 20 11.917 22.076 -9.817 1.00 0.00 C ATOM 1435 OE1 GLN B 20 12.499 22.662 -8.904 1.00 0.00 O ATOM 1436 NE2 GLN B 20 11.235 22.717 -10.752 1.00 0.00 N ATOM 0 H GLN B 20 11.567 18.397 -8.248 1.00 0.00 H new ATOM 0 HA GLN B 20 13.233 18.190 -10.529 1.00 0.00 H new ATOM 0 HB2 GLN B 20 13.219 20.196 -8.239 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.062 20.411 -9.760 1.00 0.00 H new ATOM 0 HG2 GLN B 20 11.860 20.264 -10.955 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.056 20.161 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.767 22.193 -11.491 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.177 23.735 -10.733 1.00 0.00 H new ATOM 1445 N ALA B 21 14.598 17.504 -7.656 1.00 0.00 N ATOM 1446 CA ALA B 21 15.819 17.016 -7.034 1.00 0.00 C ATOM 1447 C ALA B 21 15.913 15.494 -7.097 1.00 0.00 C ATOM 1448 O ALA B 21 16.704 14.947 -7.859 1.00 0.00 O ATOM 1449 CB ALA B 21 15.912 17.496 -5.597 1.00 0.00 C ATOM 0 H ALA B 21 13.775 17.485 -7.054 1.00 0.00 H new ATOM 0 HA ALA B 21 16.661 17.422 -7.595 1.00 0.00 H new ATOM 0 HB1 ALA B 21 16.832 17.122 -5.147 1.00 0.00 H new ATOM 0 HB2 ALA B 21 15.916 18.586 -5.577 1.00 0.00 H new ATOM 0 HB3 ALA B 21 15.056 17.126 -5.034 1.00 0.00 H new ATOM 1455 N VAL B 22 15.079 14.815 -6.315 1.00 0.00 N ATOM 1456 CA VAL B 22 15.156 13.363 -6.176 1.00 0.00 C ATOM 1457 C VAL B 22 14.790 12.651 -7.478 1.00 0.00 C ATOM 1458 O VAL B 22 15.552 11.822 -7.980 1.00 0.00 O ATOM 1459 CB VAL B 22 14.228 12.856 -5.049 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.403 11.359 -4.836 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.482 13.616 -3.756 1.00 0.00 C ATOM 0 H VAL B 22 14.338 15.249 -5.765 1.00 0.00 H new ATOM 0 HA VAL B 22 16.191 13.131 -5.924 1.00 0.00 H new ATOM 0 HB VAL B 22 13.197 13.038 -5.353 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.740 11.025 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL B 22 14.158 10.829 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.436 11.149 -4.560 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.817 13.242 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.518 13.474 -3.448 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.293 14.678 -3.915 1.00 0.00 H new ATOM 1471 N ALA B 23 13.638 13.002 -8.036 1.00 0.00 N ATOM 1472 CA ALA B 23 13.128 12.327 -9.229 1.00 0.00 C ATOM 1473 C ALA B 23 13.919 12.707 -10.478 1.00 0.00 C ATOM 1474 O ALA B 23 13.685 12.170 -11.558 1.00 0.00 O ATOM 1475 CB ALA B 23 11.649 12.634 -9.419 1.00 0.00 C ATOM 0 H ALA B 23 13.038 13.748 -7.684 1.00 0.00 H new ATOM 0 HA ALA B 23 13.251 11.254 -9.079 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.283 12.125 -10.311 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.091 12.288 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.512 13.709 -9.533 1.00 0.00 H new ATOM 1481 N ASN B 24 14.850 13.640 -10.326 1.00 0.00 N ATOM 1482 CA ASN B 24 15.707 14.046 -11.431 1.00 0.00 C ATOM 1483 C ASN B 24 17.129 13.536 -11.205 1.00 0.00 C ATOM 1484 O ASN B 24 17.968 13.552 -12.106 1.00 0.00 O ATOM 1485 CB ASN B 24 15.700 15.571 -11.569 1.00 0.00 C ATOM 1486 CG ASN B 24 16.350 16.057 -12.852 1.00 0.00 C ATOM 1487 OD1 ASN B 24 16.324 15.376 -13.877 1.00 0.00 O ATOM 1488 ND2 ASN B 24 16.919 17.250 -12.809 1.00 0.00 N ATOM 0 H ASN B 24 15.030 14.129 -9.449 1.00 0.00 H new ATOM 0 HA ASN B 24 15.325 13.612 -12.355 1.00 0.00 H new ATOM 0 HB2 ASN B 24 14.671 15.928 -11.532 1.00 0.00 H new ATOM 0 HB3 ASN B 24 16.220 16.009 -10.717 1.00 0.00 H new ATOM 0 HD21 ASN B 24 17.357 17.636 -13.645 1.00 0.00 H new ATOM 0 HD22 ASN B 24 16.920 17.784 -11.940 1.00 0.00 H new ATOM 1495 N ALA B 25 17.392 13.076 -9.986 1.00 0.00 N ATOM 1496 CA ALA B 25 18.694 12.525 -9.640 1.00 0.00 C ATOM 1497 C ALA B 25 18.780 11.063 -10.050 1.00 0.00 C ATOM 1498 O ALA B 25 19.861 10.543 -10.317 1.00 0.00 O ATOM 1499 CB ALA B 25 18.960 12.675 -8.150 1.00 0.00 C ATOM 0 H ALA B 25 16.718 13.075 -9.221 1.00 0.00 H new ATOM 0 HA ALA B 25 19.457 13.082 -10.184 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.938 12.257 -7.911 1.00 0.00 H new ATOM 0 HB2 ALA B 25 18.941 13.731 -7.882 1.00 0.00 H new ATOM 0 HB3 ALA B 25 18.192 12.144 -7.588 1.00 0.00 H new ATOM 1505 N ILE B 26 17.634 10.403 -10.089 1.00 0.00 N ATOM 1506 CA ILE B 26 17.568 9.026 -10.552 1.00 0.00 C ATOM 1507 C ILE B 26 17.715 8.988 -12.071 1.00 0.00 C ATOM 1508 O ILE B 26 17.152 9.824 -12.777 1.00 0.00 O ATOM 1509 CB ILE B 26 16.237 8.355 -10.140 1.00 0.00 C ATOM 1510 CG1 ILE B 26 16.041 8.455 -8.622 1.00 0.00 C ATOM 1511 CG2 ILE B 26 16.211 6.898 -10.585 1.00 0.00 C ATOM 1512 CD1 ILE B 26 14.722 7.890 -8.138 1.00 0.00 C ATOM 0 H ILE B 26 16.737 10.798 -9.806 1.00 0.00 H new ATOM 0 HA ILE B 26 18.384 8.472 -10.087 1.00 0.00 H new ATOM 0 HB ILE B 26 15.418 8.878 -10.633 1.00 0.00 H new ATOM 0 HG12 ILE B 26 16.856 7.929 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE B 26 16.109 9.501 -8.324 1.00 0.00 H new ATOM 0 HG21 ILE B 26 15.267 6.443 -10.286 1.00 0.00 H new ATOM 0 HG22 ILE B 26 16.311 6.847 -11.669 1.00 0.00 H new ATOM 0 HG23 ILE B 26 17.036 6.360 -10.119 1.00 0.00 H new ATOM 0 HD11 ILE B 26 14.656 7.996 -7.055 1.00 0.00 H new ATOM 0 HD12 ILE B 26 13.900 8.432 -8.607 1.00 0.00 H new ATOM 0 HD13 ILE B 26 14.659 6.835 -8.403 1.00 0.00 H new ATOM 1524 N ASP B 27 18.496 8.040 -12.572 1.00 0.00 N ATOM 1525 CA ASP B 27 18.705 7.915 -14.009 1.00 0.00 C ATOM 1526 C ASP B 27 17.523 7.196 -14.647 1.00 0.00 C ATOM 1527 O ASP B 27 17.229 6.051 -14.298 1.00 0.00 O ATOM 1528 CB ASP B 27 19.999 7.154 -14.304 1.00 0.00 C ATOM 1529 CG ASP B 27 20.414 7.246 -15.761 1.00 0.00 C ATOM 1530 OD1 ASP B 27 19.720 6.676 -16.628 1.00 0.00 O ATOM 1531 OD2 ASP B 27 21.447 7.887 -16.045 1.00 0.00 O ATOM 0 H ASP B 27 18.993 7.350 -12.009 1.00 0.00 H new ATOM 0 HA ASP B 27 18.788 8.916 -14.433 1.00 0.00 H new ATOM 0 HB2 ASP B 27 20.799 7.549 -13.677 1.00 0.00 H new ATOM 0 HB3 ASP B 27 19.869 6.106 -14.033 1.00 0.00 H new ATOM 1536 N PRO B 28 16.836 7.858 -15.589 1.00 0.00 N ATOM 1537 CA PRO B 28 15.639 7.312 -16.245 1.00 0.00 C ATOM 1538 C PRO B 28 15.907 6.016 -17.010 1.00 0.00 C ATOM 1539 O PRO B 28 14.996 5.217 -17.228 1.00 0.00 O ATOM 1540 CB PRO B 28 15.217 8.421 -17.217 1.00 0.00 C ATOM 1541 CG PRO B 28 15.873 9.656 -16.705 1.00 0.00 C ATOM 1542 CD PRO B 28 17.161 9.206 -16.082 1.00 0.00 C ATOM 0 HA PRO B 28 14.877 7.049 -15.511 1.00 0.00 H new ATOM 0 HB2 PRO B 28 15.538 8.197 -18.234 1.00 0.00 H new ATOM 0 HB3 PRO B 28 14.133 8.532 -17.242 1.00 0.00 H new ATOM 0 HG2 PRO B 28 16.056 10.365 -17.512 1.00 0.00 H new ATOM 0 HG3 PRO B 28 15.241 10.161 -15.975 1.00 0.00 H new ATOM 0 HD2 PRO B 28 17.975 9.185 -16.807 1.00 0.00 H new ATOM 0 HD3 PRO B 28 17.471 9.868 -15.273 1.00 0.00 H new ATOM 1550 N SER B 29 17.150 5.809 -17.418 1.00 0.00 N ATOM 1551 CA SER B 29 17.513 4.608 -18.154 1.00 0.00 C ATOM 1552 C SER B 29 18.034 3.538 -17.200 1.00 0.00 C ATOM 1553 O SER B 29 18.130 2.360 -17.552 1.00 0.00 O ATOM 1554 CB SER B 29 18.561 4.938 -19.214 1.00 0.00 C ATOM 1555 OG SER B 29 18.108 5.986 -20.060 1.00 0.00 O ATOM 0 H SER B 29 17.922 6.455 -17.253 1.00 0.00 H new ATOM 0 HA SER B 29 16.625 4.220 -18.653 1.00 0.00 H new ATOM 0 HB2 SER B 29 19.493 5.231 -18.732 1.00 0.00 H new ATOM 0 HB3 SER B 29 18.775 4.050 -19.809 1.00 0.00 H new ATOM 0 HG SER B 29 18.794 6.184 -20.731 1.00 0.00 H new ATOM 1561 N LYS B 30 18.365 3.954 -15.987 1.00 0.00 N ATOM 1562 CA LYS B 30 18.819 3.027 -14.965 1.00 0.00 C ATOM 1563 C LYS B 30 17.620 2.448 -14.227 1.00 0.00 C ATOM 1564 O LYS B 30 17.534 1.239 -14.012 1.00 0.00 O ATOM 1565 CB LYS B 30 19.760 3.730 -13.984 1.00 0.00 C ATOM 1566 CG LYS B 30 20.439 2.790 -13.003 1.00 0.00 C ATOM 1567 CD LYS B 30 21.280 3.556 -11.995 1.00 0.00 C ATOM 1568 CE LYS B 30 21.973 2.620 -11.021 1.00 0.00 C ATOM 1569 NZ LYS B 30 22.673 3.365 -9.943 1.00 0.00 N ATOM 0 H LYS B 30 18.327 4.928 -15.687 1.00 0.00 H new ATOM 0 HA LYS B 30 19.368 2.216 -15.443 1.00 0.00 H new ATOM 0 HB2 LYS B 30 20.524 4.265 -14.548 1.00 0.00 H new ATOM 0 HB3 LYS B 30 19.195 4.477 -13.426 1.00 0.00 H new ATOM 0 HG2 LYS B 30 19.686 2.202 -12.479 1.00 0.00 H new ATOM 0 HG3 LYS B 30 21.070 2.087 -13.547 1.00 0.00 H new ATOM 0 HD2 LYS B 30 22.026 4.153 -12.521 1.00 0.00 H new ATOM 0 HD3 LYS B 30 20.646 4.251 -11.444 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.239 1.946 -10.579 1.00 0.00 H new ATOM 0 HE3 LYS B 30 22.690 2.001 -11.560 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 23.176 2.694 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 23.356 4.026 -10.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 21.978 3.897 -9.381 1.00 0.00 H new ATOM 1583 N TYR B 31 16.690 3.319 -13.852 1.00 0.00 N ATOM 1584 CA TYR B 31 15.469 2.903 -13.176 1.00 0.00 C ATOM 1585 C TYR B 31 14.264 3.614 -13.781 1.00 0.00 C ATOM 1586 O TYR B 31 14.317 4.812 -14.061 1.00 0.00 O ATOM 1587 CB TYR B 31 15.556 3.181 -11.672 1.00 0.00 C ATOM 1588 CG TYR B 31 16.595 2.339 -10.962 1.00 0.00 C ATOM 1589 CD1 TYR B 31 16.412 0.973 -10.800 1.00 0.00 C ATOM 1590 CD2 TYR B 31 17.763 2.906 -10.469 1.00 0.00 C ATOM 1591 CE1 TYR B 31 17.360 0.195 -10.162 1.00 0.00 C ATOM 1592 CE2 TYR B 31 18.717 2.133 -9.832 1.00 0.00 C ATOM 1593 CZ TYR B 31 18.510 0.779 -9.681 1.00 0.00 C ATOM 1594 OH TYR B 31 19.462 0.006 -9.055 1.00 0.00 O ATOM 0 H TYR B 31 16.761 4.325 -14.007 1.00 0.00 H new ATOM 0 HA TYR B 31 15.349 1.829 -13.315 1.00 0.00 H new ATOM 0 HB2 TYR B 31 15.787 4.235 -11.518 1.00 0.00 H new ATOM 0 HB3 TYR B 31 14.581 2.999 -11.220 1.00 0.00 H new ATOM 0 HD1 TYR B 31 15.513 0.510 -11.179 1.00 0.00 H new ATOM 0 HD2 TYR B 31 17.929 3.967 -10.585 1.00 0.00 H new ATOM 0 HE1 TYR B 31 17.199 -0.866 -10.041 1.00 0.00 H new ATOM 0 HE2 TYR B 31 19.620 2.589 -9.455 1.00 0.00 H new ATOM 0 HH TYR B 31 19.411 0.145 -8.086 1.00 0.00 H new ATOM 1604 N THR B 32 13.188 2.871 -13.988 1.00 0.00 N ATOM 1605 CA THR B 32 11.994 3.410 -14.618 1.00 0.00 C ATOM 1606 C THR B 32 11.180 4.236 -13.624 1.00 0.00 C ATOM 1607 O THR B 32 10.528 3.690 -12.737 1.00 0.00 O ATOM 1608 CB THR B 32 11.114 2.278 -15.181 1.00 0.00 C ATOM 1609 OG1 THR B 32 11.925 1.361 -15.927 1.00 0.00 O ATOM 1610 CG2 THR B 32 10.018 2.833 -16.079 1.00 0.00 C ATOM 0 H THR B 32 13.118 1.887 -13.727 1.00 0.00 H new ATOM 0 HA THR B 32 12.316 4.053 -15.437 1.00 0.00 H new ATOM 0 HB THR B 32 10.646 1.761 -14.344 1.00 0.00 H new ATOM 0 HG1 THR B 32 11.363 0.641 -16.282 1.00 0.00 H new ATOM 0 HG21 THR B 32 9.412 2.012 -16.463 1.00 0.00 H new ATOM 0 HG22 THR B 32 9.388 3.513 -15.506 1.00 0.00 H new ATOM 0 HG23 THR B 32 10.469 3.372 -16.912 1.00 0.00 H new ATOM 1618 N VAL B 33 11.236 5.552 -13.766 1.00 0.00 N ATOM 1619 CA VAL B 33 10.508 6.450 -12.880 1.00 0.00 C ATOM 1620 C VAL B 33 9.084 6.672 -13.389 1.00 0.00 C ATOM 1621 O VAL B 33 8.864 6.833 -14.592 1.00 0.00 O ATOM 1622 CB VAL B 33 11.226 7.814 -12.749 1.00 0.00 C ATOM 1623 CG1 VAL B 33 10.520 8.708 -11.740 1.00 0.00 C ATOM 1624 CG2 VAL B 33 12.684 7.616 -12.362 1.00 0.00 C ATOM 0 H VAL B 33 11.780 6.024 -14.489 1.00 0.00 H new ATOM 0 HA VAL B 33 10.471 5.979 -11.898 1.00 0.00 H new ATOM 0 HB VAL B 33 11.191 8.309 -13.720 1.00 0.00 H new ATOM 0 HG11 VAL B 33 11.045 9.660 -11.667 1.00 0.00 H new ATOM 0 HG12 VAL B 33 9.494 8.883 -12.064 1.00 0.00 H new ATOM 0 HG13 VAL B 33 10.514 8.222 -10.765 1.00 0.00 H new ATOM 0 HG21 VAL B 33 13.172 8.587 -12.275 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.739 7.095 -11.406 1.00 0.00 H new ATOM 0 HG23 VAL B 33 13.187 7.025 -13.127 1.00 0.00 H new ATOM 1634 N GLU B 34 8.124 6.651 -12.475 1.00 0.00 N ATOM 1635 CA GLU B 34 6.734 6.930 -12.803 1.00 0.00 C ATOM 1636 C GLU B 34 6.113 7.794 -11.713 1.00 0.00 C ATOM 1637 O GLU B 34 6.106 7.422 -10.538 1.00 0.00 O ATOM 1638 CB GLU B 34 5.945 5.628 -12.970 1.00 0.00 C ATOM 1639 CG GLU B 34 4.495 5.836 -13.383 1.00 0.00 C ATOM 1640 CD GLU B 34 3.753 4.530 -13.584 1.00 0.00 C ATOM 1641 OE1 GLU B 34 3.916 3.908 -14.656 1.00 0.00 O ATOM 1642 OE2 GLU B 34 3.011 4.109 -12.675 1.00 0.00 O ATOM 0 H GLU B 34 8.286 6.441 -11.490 1.00 0.00 H new ATOM 0 HA GLU B 34 6.697 7.470 -13.749 1.00 0.00 H new ATOM 0 HB2 GLU B 34 6.440 5.008 -13.717 1.00 0.00 H new ATOM 0 HB3 GLU B 34 5.970 5.076 -12.030 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.985 6.426 -12.621 1.00 0.00 H new ATOM 0 HG3 GLU B 34 4.464 6.413 -14.307 1.00 0.00 H new ATOM 1649 N ILE B 35 5.612 8.954 -12.100 1.00 0.00 N ATOM 1650 CA ILE B 35 5.031 9.894 -11.152 1.00 0.00 C ATOM 1651 C ILE B 35 3.517 9.714 -11.081 1.00 0.00 C ATOM 1652 O ILE B 35 2.826 9.762 -12.102 1.00 0.00 O ATOM 1653 CB ILE B 35 5.368 11.350 -11.538 1.00 0.00 C ATOM 1654 CG1 ILE B 35 6.887 11.537 -11.616 1.00 0.00 C ATOM 1655 CG2 ILE B 35 4.760 12.324 -10.538 1.00 0.00 C ATOM 1656 CD1 ILE B 35 7.312 12.919 -12.065 1.00 0.00 C ATOM 0 H ILE B 35 5.595 9.271 -13.069 1.00 0.00 H new ATOM 0 HA ILE B 35 5.461 9.688 -10.172 1.00 0.00 H new ATOM 0 HB ILE B 35 4.940 11.558 -12.519 1.00 0.00 H new ATOM 0 HG12 ILE B 35 7.319 11.335 -10.636 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.299 10.799 -12.304 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.009 13.345 -10.827 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.677 12.204 -10.526 1.00 0.00 H new ATOM 0 HG23 ILE B 35 5.159 12.121 -9.544 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.400 12.973 -12.095 1.00 0.00 H new ATOM 0 HD12 ILE B 35 6.911 13.118 -13.059 1.00 0.00 H new ATOM 0 HD13 ILE B 35 6.931 13.662 -11.365 1.00 0.00 H new ATOM 1668 N VAL B 36 3.007 9.501 -9.875 1.00 0.00 N ATOM 1669 CA VAL B 36 1.585 9.273 -9.676 1.00 0.00 C ATOM 1670 C VAL B 36 0.984 10.340 -8.766 1.00 0.00 C ATOM 1671 O VAL B 36 1.332 10.448 -7.588 1.00 0.00 O ATOM 1672 CB VAL B 36 1.301 7.874 -9.084 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -0.198 7.640 -8.958 1.00 0.00 C ATOM 1674 CG2 VAL B 36 1.942 6.789 -9.935 1.00 0.00 C ATOM 0 H VAL B 36 3.560 9.482 -9.018 1.00 0.00 H new ATOM 0 HA VAL B 36 1.118 9.330 -10.659 1.00 0.00 H new ATOM 0 HB VAL B 36 1.741 7.830 -8.088 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.378 6.650 -8.539 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.630 8.395 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.661 7.707 -9.943 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.730 5.812 -9.500 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.536 6.832 -10.946 1.00 0.00 H new ATOM 0 HG23 VAL B 36 3.020 6.944 -9.970 1.00 0.00 H new ATOM 1684 N HIS B 37 0.090 11.128 -9.334 1.00 0.00 N ATOM 1685 CA HIS B 37 -0.608 12.171 -8.601 1.00 0.00 C ATOM 1686 C HIS B 37 -1.884 11.605 -7.985 1.00 0.00 C ATOM 1687 O HIS B 37 -2.817 11.247 -8.699 1.00 0.00 O ATOM 1688 CB HIS B 37 -0.922 13.331 -9.556 1.00 0.00 C ATOM 1689 CG HIS B 37 -1.763 14.427 -8.974 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -1.458 15.021 -7.774 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -2.872 15.008 -9.484 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -2.381 15.949 -7.586 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -3.259 15.976 -8.596 1.00 0.00 N ATOM 0 H HIS B 37 -0.174 11.064 -10.317 1.00 0.00 H new ATOM 0 HA HIS B 37 0.020 12.544 -7.792 1.00 0.00 H new ATOM 0 HB2 HIS B 37 0.018 13.761 -9.901 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.431 12.931 -10.433 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.360 14.757 -10.414 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -2.421 16.602 -6.727 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -4.062 16.598 -8.687 1.00 0.00 H new ATOM 1701 N LEU B 38 -1.925 11.523 -6.661 1.00 0.00 N ATOM 1702 CA LEU B 38 -3.073 10.942 -5.974 1.00 0.00 C ATOM 1703 C LEU B 38 -4.165 11.982 -5.752 1.00 0.00 C ATOM 1704 O LEU B 38 -5.201 11.692 -5.155 1.00 0.00 O ATOM 1705 CB LEU B 38 -2.654 10.325 -4.636 1.00 0.00 C ATOM 1706 CG LEU B 38 -1.726 9.112 -4.743 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -1.465 8.519 -3.369 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -2.321 8.062 -5.667 1.00 0.00 C ATOM 0 H LEU B 38 -1.181 11.849 -6.044 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.473 10.154 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -2.158 11.091 -4.040 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -3.552 10.030 -4.093 1.00 0.00 H new ATOM 0 HG LEU B 38 -0.777 9.444 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -0.804 7.658 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.995 9.269 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -2.409 8.204 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.646 7.208 -5.730 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.284 7.736 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.460 8.488 -6.661 1.00 0.00 H new ATOM 1720 N GLY B 39 -3.929 13.190 -6.241 1.00 0.00 N ATOM 1721 CA GLY B 39 -4.923 14.237 -6.132 1.00 0.00 C ATOM 1722 C GLY B 39 -6.021 14.089 -7.165 1.00 0.00 C ATOM 1723 O GLY B 39 -7.111 14.640 -7.009 1.00 0.00 O ATOM 0 H GLY B 39 -3.067 13.464 -6.712 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -5.360 14.219 -5.134 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -4.441 15.208 -6.252 1.00 0.00 H new ATOM 1727 N THR B 40 -5.737 13.337 -8.222 1.00 0.00 N ATOM 1728 CA THR B 40 -6.713 13.101 -9.273 1.00 0.00 C ATOM 1729 C THR B 40 -7.647 11.968 -8.904 1.00 0.00 C ATOM 1730 O THR B 40 -8.803 12.187 -8.537 1.00 0.00 O ATOM 1731 CB THR B 40 -6.039 12.758 -10.610 1.00 0.00 C ATOM 1732 OG1 THR B 40 -4.878 11.948 -10.385 1.00 0.00 O ATOM 1733 CG2 THR B 40 -5.663 14.011 -11.360 1.00 0.00 C ATOM 0 H THR B 40 -4.837 12.881 -8.372 1.00 0.00 H new ATOM 0 HA THR B 40 -7.277 14.027 -9.383 1.00 0.00 H new ATOM 0 HB THR B 40 -6.750 12.198 -11.217 1.00 0.00 H new ATOM 0 HG1 THR B 40 -4.457 11.734 -11.244 1.00 0.00 H new ATOM 0 HG21 THR B 40 -5.187 13.742 -12.303 1.00 0.00 H new ATOM 0 HG22 THR B 40 -6.559 14.598 -11.560 1.00 0.00 H new ATOM 0 HG23 THR B 40 -4.970 14.600 -10.760 1.00 0.00 H new ATOM 1741 N ASP B 41 -7.132 10.756 -8.997 1.00 0.00 N ATOM 1742 CA ASP B 41 -7.929 9.582 -8.740 1.00 0.00 C ATOM 1743 C ASP B 41 -7.955 9.265 -7.256 1.00 0.00 C ATOM 1744 O ASP B 41 -6.974 8.761 -6.703 1.00 0.00 O ATOM 1745 CB ASP B 41 -7.396 8.368 -9.506 1.00 0.00 C ATOM 1746 CG ASP B 41 -7.721 8.398 -10.983 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -7.053 9.138 -11.733 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -8.638 7.666 -11.405 1.00 0.00 O ATOM 0 H ASP B 41 -6.163 10.564 -9.250 1.00 0.00 H new ATOM 0 HA ASP B 41 -8.941 9.797 -9.083 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -6.315 8.315 -9.381 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -7.812 7.461 -9.069 1.00 0.00 H new ATOM 1753 N LYS B 42 -9.075 9.554 -6.612 1.00 0.00 N ATOM 1754 CA LYS B 42 -9.240 9.253 -5.197 1.00 0.00 C ATOM 1755 C LYS B 42 -9.236 7.740 -4.981 1.00 0.00 C ATOM 1756 O LYS B 42 -8.901 7.253 -3.902 1.00 0.00 O ATOM 1757 CB LYS B 42 -10.538 9.879 -4.670 1.00 0.00 C ATOM 1758 CG LYS B 42 -10.787 9.632 -3.189 1.00 0.00 C ATOM 1759 CD LYS B 42 -11.978 10.430 -2.682 1.00 0.00 C ATOM 1760 CE LYS B 42 -12.318 10.072 -1.244 1.00 0.00 C ATOM 1761 NZ LYS B 42 -13.406 10.926 -0.701 1.00 0.00 N ATOM 0 H LYS B 42 -9.884 9.997 -7.046 1.00 0.00 H new ATOM 0 HA LYS B 42 -8.406 9.682 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -10.510 10.954 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -11.378 9.483 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -10.962 8.569 -3.021 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -9.898 9.903 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -11.759 11.496 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -12.842 10.241 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -12.618 9.025 -1.192 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -11.428 10.180 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -13.607 10.649 0.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -13.110 11.923 -0.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -14.263 10.804 -1.277 1.00 0.00 H new ATOM 1775 N ALA B 43 -9.586 7.002 -6.029 1.00 0.00 N ATOM 1776 CA ALA B 43 -9.574 5.546 -5.984 1.00 0.00 C ATOM 1777 C ALA B 43 -8.150 5.004 -5.858 1.00 0.00 C ATOM 1778 O ALA B 43 -7.936 3.918 -5.320 1.00 0.00 O ATOM 1779 CB ALA B 43 -10.249 4.978 -7.222 1.00 0.00 C ATOM 0 H ALA B 43 -9.883 7.392 -6.924 1.00 0.00 H new ATOM 0 HA ALA B 43 -10.129 5.232 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -10.234 3.889 -7.177 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -11.281 5.325 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -9.716 5.312 -8.112 1.00 0.00 H new ATOM 1785 N ARG B 44 -7.173 5.770 -6.342 1.00 0.00 N ATOM 1786 CA ARG B 44 -5.777 5.347 -6.274 1.00 0.00 C ATOM 1787 C ARG B 44 -5.265 5.417 -4.841 1.00 0.00 C ATOM 1788 O ARG B 44 -4.341 4.695 -4.471 1.00 0.00 O ATOM 1789 CB ARG B 44 -4.882 6.209 -7.167 1.00 0.00 C ATOM 1790 CG ARG B 44 -5.162 6.088 -8.656 1.00 0.00 C ATOM 1791 CD ARG B 44 -4.994 4.664 -9.165 1.00 0.00 C ATOM 1792 NE ARG B 44 -4.966 4.625 -10.629 1.00 0.00 N ATOM 1793 CZ ARG B 44 -6.050 4.570 -11.402 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -7.260 4.447 -10.864 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -5.920 4.619 -12.722 1.00 0.00 N ATOM 0 H ARG B 44 -7.321 6.678 -6.781 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.737 4.317 -6.630 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -4.997 7.252 -6.874 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -3.842 5.939 -6.984 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -6.178 6.426 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -4.490 6.748 -9.204 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -4.071 4.240 -8.770 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -5.812 4.045 -8.798 1.00 0.00 H new ATOM 0 HE ARG B 44 -4.055 4.641 -11.088 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -7.365 4.394 -9.851 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -8.083 4.406 -11.465 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -4.993 4.698 -13.141 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -6.747 4.577 -13.318 1.00 0.00 H new ATOM 1809 N ILE B 45 -5.873 6.290 -4.042 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.494 6.450 -2.640 1.00 0.00 C ATOM 1811 C ILE B 45 -5.646 5.128 -1.892 1.00 0.00 C ATOM 1812 O ILE B 45 -4.774 4.736 -1.114 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.350 7.536 -1.949 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -6.158 8.885 -2.649 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -5.994 7.643 -0.470 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -7.015 9.997 -2.079 1.00 0.00 C ATOM 0 H ILE B 45 -6.633 6.900 -4.343 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.450 6.762 -2.614 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.399 7.251 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.110 9.174 -2.578 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -6.386 8.770 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.608 8.413 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.178 6.686 0.019 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -4.941 7.906 -0.367 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -6.824 10.920 -2.626 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -8.068 9.730 -2.174 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -6.771 10.141 -1.027 1.00 0.00 H new ATOM 1828 N ALA B 46 -6.745 4.433 -2.156 1.00 0.00 N ATOM 1829 CA ALA B 46 -7.006 3.147 -1.529 1.00 0.00 C ATOM 1830 C ALA B 46 -5.951 2.123 -1.933 1.00 0.00 C ATOM 1831 O ALA B 46 -5.472 1.349 -1.107 1.00 0.00 O ATOM 1832 CB ALA B 46 -8.395 2.657 -1.900 1.00 0.00 C ATOM 0 H ALA B 46 -7.471 4.741 -2.803 1.00 0.00 H new ATOM 0 HA ALA B 46 -6.956 3.273 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -8.580 1.693 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.138 3.378 -1.559 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -8.465 2.548 -2.982 1.00 0.00 H new ATOM 1838 N GLU B 47 -5.577 2.141 -3.206 1.00 0.00 N ATOM 1839 CA GLU B 47 -4.566 1.225 -3.719 1.00 0.00 C ATOM 1840 C GLU B 47 -3.195 1.547 -3.139 1.00 0.00 C ATOM 1841 O GLU B 47 -2.408 0.648 -2.848 1.00 0.00 O ATOM 1842 CB GLU B 47 -4.520 1.278 -5.245 1.00 0.00 C ATOM 1843 CG GLU B 47 -5.792 0.775 -5.900 1.00 0.00 C ATOM 1844 CD GLU B 47 -6.159 -0.622 -5.441 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -5.463 -1.581 -5.834 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -7.137 -0.764 -4.679 1.00 0.00 O ATOM 0 H GLU B 47 -5.959 2.780 -3.903 1.00 0.00 H new ATOM 0 HA GLU B 47 -4.839 0.215 -3.412 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -4.338 2.305 -5.561 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -3.678 0.682 -5.597 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -6.611 1.457 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -5.667 0.779 -6.983 1.00 0.00 H new ATOM 1853 N ALA B 48 -2.920 2.834 -2.965 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.673 3.274 -2.359 1.00 0.00 C ATOM 1855 C ALA B 48 -1.581 2.778 -0.922 1.00 0.00 C ATOM 1856 O ALA B 48 -0.523 2.340 -0.470 1.00 0.00 O ATOM 1857 CB ALA B 48 -1.562 4.791 -2.409 1.00 0.00 C ATOM 0 H ALA B 48 -3.547 3.592 -3.236 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.843 2.851 -2.925 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.623 5.102 -1.951 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.588 5.124 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -2.396 5.235 -1.865 1.00 0.00 H new ATOM 1863 N GLU B 49 -2.707 2.826 -0.221 1.00 0.00 N ATOM 1864 CA GLU B 49 -2.776 2.355 1.153 1.00 0.00 C ATOM 1865 C GLU B 49 -2.507 0.853 1.219 1.00 0.00 C ATOM 1866 O GLU B 49 -1.823 0.374 2.127 1.00 0.00 O ATOM 1867 CB GLU B 49 -4.146 2.673 1.748 1.00 0.00 C ATOM 1868 CG GLU B 49 -4.247 2.368 3.229 1.00 0.00 C ATOM 1869 CD GLU B 49 -5.623 2.643 3.785 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -6.480 1.735 3.747 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -5.860 3.765 4.267 1.00 0.00 O ATOM 0 H GLU B 49 -3.588 3.189 -0.585 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.010 2.868 1.735 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.368 3.728 1.586 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.906 2.102 1.215 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.993 1.322 3.399 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -3.514 2.966 3.770 1.00 0.00 H new ATOM 1878 N LYS B 50 -3.043 0.120 0.247 1.00 0.00 N ATOM 1879 CA LYS B 50 -2.815 -1.319 0.145 1.00 0.00 C ATOM 1880 C LYS B 50 -1.349 -1.613 -0.157 1.00 0.00 C ATOM 1881 O LYS B 50 -0.790 -2.606 0.314 1.00 0.00 O ATOM 1882 CB LYS B 50 -3.687 -1.925 -0.958 1.00 0.00 C ATOM 1883 CG LYS B 50 -5.181 -1.794 -0.714 1.00 0.00 C ATOM 1884 CD LYS B 50 -5.975 -2.275 -1.916 1.00 0.00 C ATOM 1885 CE LYS B 50 -7.470 -2.104 -1.711 1.00 0.00 C ATOM 1886 NZ LYS B 50 -8.233 -2.444 -2.941 1.00 0.00 N ATOM 0 H LYS B 50 -3.642 0.501 -0.485 1.00 0.00 H new ATOM 0 HA LYS B 50 -3.081 -1.767 1.103 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -3.441 -1.444 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -3.439 -2.981 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -5.461 -2.373 0.166 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -5.428 -0.754 -0.503 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.664 -1.721 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -5.752 -3.326 -2.102 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.800 -2.740 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.683 -1.075 -1.423 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -9.226 -2.157 -2.824 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -7.822 -1.943 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -8.186 -3.470 -3.106 1.00 0.00 H new ATOM 1900 N ALA B 51 -0.735 -0.740 -0.950 1.00 0.00 N ATOM 1901 CA ALA B 51 0.656 -0.902 -1.349 1.00 0.00 C ATOM 1902 C ALA B 51 1.601 -0.659 -0.177 1.00 0.00 C ATOM 1903 O ALA B 51 2.682 -1.244 -0.108 1.00 0.00 O ATOM 1904 CB ALA B 51 0.989 0.035 -2.502 1.00 0.00 C ATOM 0 H ALA B 51 -1.185 0.093 -1.331 1.00 0.00 H new ATOM 0 HA ALA B 51 0.792 -1.931 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA B 51 2.032 -0.098 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA B 51 0.347 -0.192 -3.353 1.00 0.00 H new ATOM 0 HB3 ALA B 51 0.827 1.067 -2.191 1.00 0.00 H new ATOM 1910 N GLY B 52 1.184 0.193 0.747 1.00 0.00 N ATOM 1911 CA GLY B 52 2.008 0.491 1.902 1.00 0.00 C ATOM 1912 C GLY B 52 2.407 1.950 1.961 1.00 0.00 C ATOM 1913 O GLY B 52 3.359 2.317 2.654 1.00 0.00 O ATOM 0 H GLY B 52 0.290 0.684 0.719 1.00 0.00 H new ATOM 0 HA2 GLY B 52 1.466 0.228 2.810 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.905 -0.128 1.875 1.00 0.00 H new ATOM 1917 N VAL B 53 1.687 2.784 1.225 1.00 0.00 N ATOM 1918 CA VAL B 53 1.933 4.215 1.234 1.00 0.00 C ATOM 1919 C VAL B 53 1.186 4.856 2.396 1.00 0.00 C ATOM 1920 O VAL B 53 -0.038 4.978 2.372 1.00 0.00 O ATOM 1921 CB VAL B 53 1.501 4.874 -0.094 1.00 0.00 C ATOM 1922 CG1 VAL B 53 1.796 6.367 -0.085 1.00 0.00 C ATOM 1923 CG2 VAL B 53 2.192 4.202 -1.271 1.00 0.00 C ATOM 0 H VAL B 53 0.926 2.491 0.613 1.00 0.00 H new ATOM 0 HA VAL B 53 3.005 4.372 1.352 1.00 0.00 H new ATOM 0 HB VAL B 53 0.424 4.743 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.482 6.806 -1.032 1.00 0.00 H new ATOM 0 HG12 VAL B 53 1.252 6.840 0.732 1.00 0.00 H new ATOM 0 HG13 VAL B 53 2.866 6.526 0.051 1.00 0.00 H new ATOM 0 HG21 VAL B 53 1.876 4.679 -2.199 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.272 4.299 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL B 53 1.923 3.146 -1.296 1.00 0.00 H new ATOM 1933 N LYS B 54 1.930 5.239 3.422 1.00 0.00 N ATOM 1934 CA LYS B 54 1.339 5.785 4.635 1.00 0.00 C ATOM 1935 C LYS B 54 1.164 7.296 4.507 1.00 0.00 C ATOM 1936 O LYS B 54 0.351 7.905 5.206 1.00 0.00 O ATOM 1937 CB LYS B 54 2.226 5.456 5.839 1.00 0.00 C ATOM 1938 CG LYS B 54 2.661 3.997 5.897 1.00 0.00 C ATOM 1939 CD LYS B 54 3.721 3.772 6.964 1.00 0.00 C ATOM 1940 CE LYS B 54 4.320 2.373 6.887 1.00 0.00 C ATOM 1941 NZ LYS B 54 3.337 1.312 7.235 1.00 0.00 N ATOM 0 H LYS B 54 2.948 5.182 3.439 1.00 0.00 H new ATOM 0 HA LYS B 54 0.358 5.334 4.783 1.00 0.00 H new ATOM 0 HB2 LYS B 54 3.112 6.090 5.810 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.688 5.702 6.754 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.796 3.367 6.104 1.00 0.00 H new ATOM 0 HG3 LYS B 54 3.051 3.694 4.925 1.00 0.00 H new ATOM 0 HD2 LYS B 54 4.513 4.512 6.850 1.00 0.00 H new ATOM 0 HD3 LYS B 54 3.281 3.924 7.950 1.00 0.00 H new ATOM 0 HE2 LYS B 54 4.697 2.198 5.879 1.00 0.00 H new ATOM 0 HE3 LYS B 54 5.173 2.309 7.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.794 0.380 7.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 2.995 1.460 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.534 1.353 6.575 1.00 0.00 H new ATOM 1955 N SER B 55 1.946 7.904 3.629 1.00 0.00 N ATOM 1956 CA SER B 55 1.845 9.331 3.372 1.00 0.00 C ATOM 1957 C SER B 55 2.283 9.651 1.944 1.00 0.00 C ATOM 1958 O SER B 55 3.110 8.943 1.370 1.00 0.00 O ATOM 1959 CB SER B 55 2.704 10.108 4.375 1.00 0.00 C ATOM 1960 OG SER B 55 2.311 9.819 5.709 1.00 0.00 O ATOM 0 H SER B 55 2.661 7.428 3.080 1.00 0.00 H new ATOM 0 HA SER B 55 0.804 9.632 3.489 1.00 0.00 H new ATOM 0 HB2 SER B 55 3.754 9.850 4.237 1.00 0.00 H new ATOM 0 HB3 SER B 55 2.611 11.178 4.188 1.00 0.00 H new ATOM 0 HG SER B 55 2.873 10.324 6.332 1.00 0.00 H new ATOM 1966 N VAL B 56 1.714 10.708 1.375 1.00 0.00 N ATOM 1967 CA VAL B 56 2.118 11.175 0.058 1.00 0.00 C ATOM 1968 C VAL B 56 3.337 12.105 0.189 1.00 0.00 C ATOM 1969 O VAL B 56 3.862 12.245 1.298 1.00 0.00 O ATOM 1970 CB VAL B 56 0.947 11.829 -0.711 1.00 0.00 C ATOM 1971 CG1 VAL B 56 -0.009 10.762 -1.214 1.00 0.00 C ATOM 1972 CG2 VAL B 56 0.202 12.821 0.154 1.00 0.00 C ATOM 0 H VAL B 56 0.971 11.257 1.807 1.00 0.00 H new ATOM 0 HA VAL B 56 2.414 10.315 -0.543 1.00 0.00 H new ATOM 0 HB VAL B 56 1.366 12.369 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -0.830 11.234 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL B 56 0.522 10.083 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.406 10.201 -0.368 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.614 13.262 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.202 12.310 1.028 1.00 0.00 H new ATOM 0 HG23 VAL B 56 0.885 13.607 0.476 1.00 0.00 H new ATOM 1982 N PRO B 57 3.675 12.917 -0.843 1.00 0.00 N ATOM 1983 CA PRO B 57 5.033 13.091 -1.315 1.00 0.00 C ATOM 1984 C PRO B 57 6.034 12.089 -0.741 1.00 0.00 C ATOM 1985 O PRO B 57 6.628 12.287 0.319 1.00 0.00 O ATOM 1986 CB PRO B 57 5.255 14.538 -0.924 1.00 0.00 C ATOM 1987 CG PRO B 57 3.914 15.171 -1.238 1.00 0.00 C ATOM 1988 CD PRO B 57 2.906 14.027 -1.377 1.00 0.00 C ATOM 0 HA PRO B 57 5.184 12.893 -2.376 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.515 14.639 0.130 1.00 0.00 H new ATOM 0 HB3 PRO B 57 6.063 14.994 -1.496 1.00 0.00 H new ATOM 0 HG2 PRO B 57 3.615 15.856 -0.445 1.00 0.00 H new ATOM 0 HG3 PRO B 57 3.967 15.753 -2.158 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.994 14.209 -0.808 1.00 0.00 H new ATOM 0 HD3 PRO B 57 2.608 13.863 -2.413 1.00 0.00 H new ATOM 1996 N ALA B 58 6.186 10.992 -1.480 1.00 0.00 N ATOM 1997 CA ALA B 58 7.056 9.892 -1.098 1.00 0.00 C ATOM 1998 C ALA B 58 7.582 9.181 -2.344 1.00 0.00 C ATOM 1999 O ALA B 58 7.038 9.350 -3.439 1.00 0.00 O ATOM 2000 CB ALA B 58 6.301 8.915 -0.210 1.00 0.00 C ATOM 0 H ALA B 58 5.703 10.845 -2.366 1.00 0.00 H new ATOM 0 HA ALA B 58 7.904 10.288 -0.540 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.961 8.094 0.071 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.959 9.429 0.688 1.00 0.00 H new ATOM 0 HB3 ALA B 58 5.442 8.520 -0.752 1.00 0.00 H new ATOM 2006 N LEU B 59 8.627 8.384 -2.174 1.00 0.00 N ATOM 2007 CA LEU B 59 9.245 7.670 -3.281 1.00 0.00 C ATOM 2008 C LEU B 59 9.155 6.163 -3.062 1.00 0.00 C ATOM 2009 O LEU B 59 9.670 5.632 -2.078 1.00 0.00 O ATOM 2010 CB LEU B 59 10.709 8.092 -3.432 1.00 0.00 C ATOM 2011 CG LEU B 59 11.453 7.468 -4.613 1.00 0.00 C ATOM 2012 CD1 LEU B 59 10.825 7.894 -5.932 1.00 0.00 C ATOM 2013 CD2 LEU B 59 12.924 7.850 -4.573 1.00 0.00 C ATOM 0 H LEU B 59 9.068 8.215 -1.270 1.00 0.00 H new ATOM 0 HA LEU B 59 8.709 7.922 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU B 59 10.748 9.177 -3.532 1.00 0.00 H new ATOM 0 HB3 LEU B 59 11.239 7.837 -2.515 1.00 0.00 H new ATOM 0 HG LEU B 59 11.374 6.384 -4.534 1.00 0.00 H new ATOM 0 HD11 LEU B 59 11.370 7.438 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU B 59 9.785 7.570 -5.961 1.00 0.00 H new ATOM 0 HD13 LEU B 59 10.870 8.979 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU B 59 13.440 7.398 -5.420 1.00 0.00 H new ATOM 0 HD22 LEU B 59 13.020 8.934 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU B 59 13.368 7.491 -3.644 1.00 0.00 H new ATOM 2025 N VAL B 60 8.493 5.485 -3.980 1.00 0.00 N ATOM 2026 CA VAL B 60 8.313 4.046 -3.904 1.00 0.00 C ATOM 2027 C VAL B 60 9.266 3.340 -4.861 1.00 0.00 C ATOM 2028 O VAL B 60 9.101 3.408 -6.075 1.00 0.00 O ATOM 2029 CB VAL B 60 6.860 3.653 -4.244 1.00 0.00 C ATOM 2030 CG1 VAL B 60 6.656 2.152 -4.126 1.00 0.00 C ATOM 2031 CG2 VAL B 60 5.888 4.398 -3.346 1.00 0.00 C ATOM 0 H VAL B 60 8.065 5.915 -4.800 1.00 0.00 H new ATOM 0 HA VAL B 60 8.531 3.736 -2.882 1.00 0.00 H new ATOM 0 HB VAL B 60 6.665 3.935 -5.279 1.00 0.00 H new ATOM 0 HG11 VAL B 60 5.623 1.905 -4.371 1.00 0.00 H new ATOM 0 HG12 VAL B 60 7.326 1.638 -4.816 1.00 0.00 H new ATOM 0 HG13 VAL B 60 6.873 1.834 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL B 60 4.867 4.111 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL B 60 6.090 4.147 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL B 60 6.009 5.472 -3.491 1.00 0.00 H new ATOM 2041 N ILE B 61 10.259 2.664 -4.318 1.00 0.00 N ATOM 2042 CA ILE B 61 11.249 1.988 -5.138 1.00 0.00 C ATOM 2043 C ILE B 61 10.822 0.554 -5.431 1.00 0.00 C ATOM 2044 O ILE B 61 10.996 -0.340 -4.600 1.00 0.00 O ATOM 2045 CB ILE B 61 12.644 1.991 -4.475 1.00 0.00 C ATOM 2046 CG1 ILE B 61 13.110 3.429 -4.214 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.656 1.255 -5.348 1.00 0.00 C ATOM 2048 CD1 ILE B 61 13.265 4.259 -5.470 1.00 0.00 C ATOM 0 H ILE B 61 10.403 2.567 -3.313 1.00 0.00 H new ATOM 0 HA ILE B 61 11.317 2.541 -6.075 1.00 0.00 H new ATOM 0 HB ILE B 61 12.571 1.471 -3.520 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.395 3.918 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE B 61 14.064 3.402 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.632 1.268 -4.863 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.334 0.223 -5.487 1.00 0.00 H new ATOM 0 HG23 ILE B 61 13.726 1.747 -6.318 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.597 5.263 -5.204 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.002 3.794 -6.125 1.00 0.00 H new ATOM 0 HD13 ILE B 61 12.307 4.319 -5.987 1.00 0.00 H new ATOM 2060 N ASP B 62 10.205 0.371 -6.597 1.00 0.00 N ATOM 2061 CA ASP B 62 9.844 -0.951 -7.119 1.00 0.00 C ATOM 2062 C ASP B 62 8.911 -1.695 -6.163 1.00 0.00 C ATOM 2063 O ASP B 62 8.827 -2.925 -6.177 1.00 0.00 O ATOM 2064 CB ASP B 62 11.113 -1.766 -7.393 1.00 0.00 C ATOM 2065 CG ASP B 62 10.894 -2.885 -8.393 1.00 0.00 C ATOM 2066 OD1 ASP B 62 10.495 -2.592 -9.542 1.00 0.00 O ATOM 2067 OD2 ASP B 62 11.143 -4.059 -8.044 1.00 0.00 O ATOM 0 H ASP B 62 9.939 1.140 -7.212 1.00 0.00 H new ATOM 0 HA ASP B 62 9.303 -0.815 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP B 62 11.892 -1.101 -7.765 1.00 0.00 H new ATOM 0 HB3 ASP B 62 11.476 -2.189 -6.456 1.00 0.00 H new ATOM 2072 N GLY B 63 8.190 -0.939 -5.348 1.00 0.00 N ATOM 2073 CA GLY B 63 7.283 -1.540 -4.393 1.00 0.00 C ATOM 2074 C GLY B 63 7.496 -1.035 -2.981 1.00 0.00 C ATOM 2075 O GLY B 63 6.548 -0.940 -2.203 1.00 0.00 O ATOM 0 H GLY B 63 8.217 0.081 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY B 63 6.256 -1.335 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY B 63 7.410 -2.622 -4.410 1.00 0.00 H new ATOM 2079 N ALA B 64 8.737 -0.703 -2.647 1.00 0.00 N ATOM 2080 CA ALA B 64 9.059 -0.228 -1.306 1.00 0.00 C ATOM 2081 C ALA B 64 8.820 1.275 -1.188 1.00 0.00 C ATOM 2082 O ALA B 64 9.533 2.077 -1.789 1.00 0.00 O ATOM 2083 CB ALA B 64 10.500 -0.572 -0.962 1.00 0.00 C ATOM 0 H ALA B 64 9.534 -0.753 -3.282 1.00 0.00 H new ATOM 0 HA ALA B 64 8.401 -0.728 -0.595 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.730 -0.213 0.041 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.635 -1.653 -1.001 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.169 -0.097 -1.680 1.00 0.00 H new ATOM 2089 N ALA B 65 7.819 1.649 -0.405 1.00 0.00 N ATOM 2090 CA ALA B 65 7.417 3.043 -0.279 1.00 0.00 C ATOM 2091 C ALA B 65 8.178 3.752 0.836 1.00 0.00 C ATOM 2092 O ALA B 65 8.003 3.436 2.014 1.00 0.00 O ATOM 2093 CB ALA B 65 5.918 3.133 -0.029 1.00 0.00 C ATOM 0 H ALA B 65 7.266 1.001 0.157 1.00 0.00 H new ATOM 0 HA ALA B 65 7.660 3.545 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA B 65 5.627 4.179 0.064 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.382 2.680 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA B 65 5.670 2.604 0.891 1.00 0.00 H new ATOM 2099 N PHE B 66 9.019 4.708 0.459 1.00 0.00 N ATOM 2100 CA PHE B 66 9.760 5.511 1.425 1.00 0.00 C ATOM 2101 C PHE B 66 9.284 6.956 1.372 1.00 0.00 C ATOM 2102 O PHE B 66 9.235 7.556 0.304 1.00 0.00 O ATOM 2103 CB PHE B 66 11.262 5.451 1.140 1.00 0.00 C ATOM 2104 CG PHE B 66 11.821 4.059 1.170 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.112 3.442 2.373 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.051 3.368 -0.007 1.00 0.00 C ATOM 2107 CE1 PHE B 66 12.620 2.160 2.404 1.00 0.00 C ATOM 2108 CE2 PHE B 66 12.559 2.085 0.017 1.00 0.00 C ATOM 2109 CZ PHE B 66 12.844 1.481 1.224 1.00 0.00 C ATOM 0 H PHE B 66 9.206 4.947 -0.515 1.00 0.00 H new ATOM 0 HA PHE B 66 9.579 5.106 2.421 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.456 5.891 0.162 1.00 0.00 H new ATOM 0 HB3 PHE B 66 11.788 6.061 1.874 1.00 0.00 H new ATOM 0 HD1 PHE B 66 11.939 3.970 3.299 1.00 0.00 H new ATOM 0 HD2 PHE B 66 11.831 3.838 -0.954 1.00 0.00 H new ATOM 0 HE1 PHE B 66 12.842 1.689 3.350 1.00 0.00 H new ATOM 0 HE2 PHE B 66 12.733 1.555 -0.908 1.00 0.00 H new ATOM 0 HZ PHE B 66 13.242 0.477 1.245 1.00 0.00 H new ATOM 2119 N HIS B 67 8.942 7.511 2.520 1.00 0.00 N ATOM 2120 CA HIS B 67 8.377 8.855 2.578 1.00 0.00 C ATOM 2121 C HIS B 67 9.464 9.913 2.433 1.00 0.00 C ATOM 2122 O HIS B 67 10.528 9.803 3.041 1.00 0.00 O ATOM 2123 CB HIS B 67 7.617 9.055 3.893 1.00 0.00 C ATOM 2124 CG HIS B 67 6.527 8.049 4.102 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.450 7.211 5.193 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.457 7.748 3.322 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.367 6.442 5.042 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.725 6.729 3.924 1.00 0.00 N ATOM 0 H HIS B 67 9.044 7.056 3.427 1.00 0.00 H new ATOM 0 HA HIS B 67 7.682 8.966 1.746 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.320 8.998 4.724 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.187 10.056 3.908 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.103 7.182 5.976 1.00 0.00 H new ATOM 0 HD2 HIS B 67 5.213 8.224 2.384 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.057 5.683 5.745 1.00 0.00 H new ATOM 2136 N ILE B 68 9.192 10.927 1.619 1.00 0.00 N ATOM 2137 CA ILE B 68 10.126 12.025 1.422 1.00 0.00 C ATOM 2138 C ILE B 68 9.642 13.240 2.196 1.00 0.00 C ATOM 2139 O ILE B 68 8.717 13.931 1.764 1.00 0.00 O ATOM 2140 CB ILE B 68 10.281 12.398 -0.069 1.00 0.00 C ATOM 2141 CG1 ILE B 68 10.749 11.186 -0.878 1.00 0.00 C ATOM 2142 CG2 ILE B 68 11.261 13.554 -0.229 1.00 0.00 C ATOM 2143 CD1 ILE B 68 10.896 11.464 -2.359 1.00 0.00 C ATOM 0 H ILE B 68 8.328 11.010 1.084 1.00 0.00 H new ATOM 0 HA ILE B 68 11.101 11.700 1.785 1.00 0.00 H new ATOM 0 HB ILE B 68 9.309 12.713 -0.449 1.00 0.00 H new ATOM 0 HG12 ILE B 68 11.707 10.845 -0.484 1.00 0.00 H new ATOM 0 HG13 ILE B 68 10.039 10.371 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE B 68 11.359 13.804 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE B 68 10.892 14.422 0.317 1.00 0.00 H new ATOM 0 HG23 ILE B 68 12.234 13.263 0.167 1.00 0.00 H new ATOM 0 HD11 ILE B 68 11.231 10.560 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE B 68 9.935 11.776 -2.768 1.00 0.00 H new ATOM 0 HD13 ILE B 68 11.629 12.257 -2.509 1.00 0.00 H new ATOM 2155 N ASN B 69 10.263 13.480 3.348 1.00 0.00 N ATOM 2156 CA ASN B 69 9.803 14.506 4.277 1.00 0.00 C ATOM 2157 C ASN B 69 8.390 14.163 4.730 1.00 0.00 C ATOM 2158 O ASN B 69 7.967 13.008 4.644 1.00 0.00 O ATOM 2159 CB ASN B 69 9.833 15.903 3.632 1.00 0.00 C ATOM 2160 CG ASN B 69 11.237 16.384 3.318 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.198 16.003 3.979 1.00 0.00 O ATOM 2162 ND2 ASN B 69 11.364 17.241 2.317 1.00 0.00 N ATOM 0 H ASN B 69 11.091 12.974 3.661 1.00 0.00 H new ATOM 0 HA ASN B 69 10.474 14.530 5.136 1.00 0.00 H new ATOM 0 HB2 ASN B 69 9.248 15.885 2.713 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.352 16.616 4.302 1.00 0.00 H new ATOM 0 HD21 ASN B 69 12.284 17.607 2.073 1.00 0.00 H new ATOM 0 HD22 ASN B 69 10.542 17.535 1.790 1.00 0.00 H new ATOM 2169 N PHE B 70 7.666 15.143 5.231 1.00 0.00 N ATOM 2170 CA PHE B 70 6.265 14.938 5.534 1.00 0.00 C ATOM 2171 C PHE B 70 5.418 15.664 4.501 1.00 0.00 C ATOM 2172 O PHE B 70 5.100 16.843 4.666 1.00 0.00 O ATOM 2173 CB PHE B 70 5.925 15.416 6.951 1.00 0.00 C ATOM 2174 CG PHE B 70 4.503 15.134 7.357 1.00 0.00 C ATOM 2175 CD1 PHE B 70 4.082 13.836 7.600 1.00 0.00 C ATOM 2176 CD2 PHE B 70 3.589 16.167 7.495 1.00 0.00 C ATOM 2177 CE1 PHE B 70 2.777 13.574 7.972 1.00 0.00 C ATOM 2178 CE2 PHE B 70 2.283 15.911 7.865 1.00 0.00 C ATOM 2179 CZ PHE B 70 1.877 14.613 8.104 1.00 0.00 C ATOM 0 H PHE B 70 8.019 16.078 5.435 1.00 0.00 H new ATOM 0 HA PHE B 70 6.049 13.870 5.494 1.00 0.00 H new ATOM 0 HB2 PHE B 70 6.599 14.934 7.659 1.00 0.00 H new ATOM 0 HB3 PHE B 70 6.107 16.489 7.017 1.00 0.00 H new ATOM 0 HD1 PHE B 70 4.782 13.020 7.497 1.00 0.00 H new ATOM 0 HD2 PHE B 70 3.902 17.184 7.311 1.00 0.00 H new ATOM 0 HE1 PHE B 70 2.462 12.558 8.159 1.00 0.00 H new ATOM 0 HE2 PHE B 70 1.580 16.725 7.967 1.00 0.00 H new ATOM 0 HZ PHE B 70 0.857 14.411 8.394 1.00 0.00 H new ATOM 2189 N GLY B 71 5.107 14.972 3.408 1.00 0.00 N ATOM 2190 CA GLY B 71 4.259 15.547 2.395 1.00 0.00 C ATOM 2191 C GLY B 71 2.851 15.711 2.904 1.00 0.00 C ATOM 2192 O GLY B 71 2.499 16.757 3.450 1.00 0.00 O ATOM 0 H GLY B 71 5.430 14.025 3.212 1.00 0.00 H new ATOM 0 HA2 GLY B 71 4.655 16.516 2.090 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.259 14.910 1.511 1.00 0.00 H new ATOM 2196 N ALA B 72 2.029 14.696 2.711 1.00 0.00 N ATOM 2197 CA ALA B 72 0.696 14.709 3.310 1.00 0.00 C ATOM 2198 C ALA B 72 0.326 13.334 3.837 1.00 0.00 C ATOM 2199 O ALA B 72 0.667 12.325 3.231 1.00 0.00 O ATOM 2200 CB ALA B 72 -0.352 15.227 2.332 1.00 0.00 C ATOM 0 H ALA B 72 2.248 13.867 2.158 1.00 0.00 H new ATOM 0 HA ALA B 72 0.719 15.398 4.154 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -1.331 15.223 2.812 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -0.099 16.244 2.033 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -0.377 14.585 1.451 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.363 13.286 4.963 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.808 12.011 5.489 1.00 0.00 C ATOM 2208 C GLY B 73 -1.934 11.434 4.655 1.00 0.00 C ATOM 2209 O GLY B 73 -2.846 12.162 4.258 1.00 0.00 O ATOM 0 H GLY B 73 -0.622 14.099 5.521 1.00 0.00 H new ATOM 0 HA2 GLY B 73 0.028 11.312 5.509 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -1.143 12.137 6.519 1.00 0.00 H new ATOM 2213 N ILE B 74 -1.883 10.134 4.381 1.00 0.00 N ATOM 2214 CA ILE B 74 -2.921 9.490 3.582 1.00 0.00 C ATOM 2215 C ILE B 74 -4.233 9.459 4.362 1.00 0.00 C ATOM 2216 O ILE B 74 -5.323 9.414 3.788 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.516 8.056 3.156 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.455 7.542 2.061 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.524 7.108 4.349 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -3.047 6.202 1.487 1.00 0.00 C ATOM 0 H ILE B 74 -1.141 9.510 4.697 1.00 0.00 H new ATOM 0 HA ILE B 74 -3.052 10.076 2.672 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.501 8.093 2.761 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.463 7.461 2.468 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -3.495 8.275 1.255 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.236 6.109 4.022 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -1.817 7.462 5.100 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -3.524 7.074 4.780 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.759 5.904 0.718 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -2.052 6.282 1.049 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -3.035 5.455 2.280 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.111 9.515 5.681 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.264 9.551 6.565 1.00 0.00 C ATOM 2234 C ASP B 75 -5.871 10.951 6.581 1.00 0.00 C ATOM 2235 O ASP B 75 -7.074 11.123 6.792 1.00 0.00 O ATOM 2236 CB ASP B 75 -4.845 9.132 7.975 1.00 0.00 C ATOM 2237 CG ASP B 75 -5.989 9.175 8.963 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -6.770 8.199 9.021 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -6.109 10.176 9.693 1.00 0.00 O ATOM 0 H ASP B 75 -3.213 9.537 6.165 1.00 0.00 H new ATOM 0 HA ASP B 75 -6.018 8.854 6.200 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -4.437 8.122 7.943 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -4.046 9.788 8.322 1.00 0.00 H new ATOM 2244 N ASP B 76 -5.026 11.946 6.335 1.00 0.00 N ATOM 2245 CA ASP B 76 -5.453 13.342 6.280 1.00 0.00 C ATOM 2246 C ASP B 76 -6.229 13.608 4.999 1.00 0.00 C ATOM 2247 O ASP B 76 -7.143 14.434 4.975 1.00 0.00 O ATOM 2248 CB ASP B 76 -4.246 14.281 6.353 1.00 0.00 C ATOM 2249 CG ASP B 76 -3.517 14.204 7.679 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -2.947 13.136 7.987 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -3.497 15.214 8.413 1.00 0.00 O ATOM 0 H ASP B 76 -4.029 11.810 6.168 1.00 0.00 H new ATOM 0 HA ASP B 76 -6.099 13.532 7.137 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -3.553 14.036 5.548 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -4.579 15.305 6.186 1.00 0.00 H new ATOM 2256 N LEU B 77 -5.853 12.899 3.937 1.00 0.00 N ATOM 2257 CA LEU B 77 -6.542 13.002 2.655 1.00 0.00 C ATOM 2258 C LEU B 77 -8.015 12.645 2.817 1.00 0.00 C ATOM 2259 O LEU B 77 -8.887 13.233 2.176 1.00 0.00 O ATOM 2260 CB LEU B 77 -5.892 12.075 1.622 1.00 0.00 C ATOM 2261 CG LEU B 77 -4.414 12.353 1.331 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -3.867 11.339 0.338 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -4.226 13.768 0.805 1.00 0.00 C ATOM 0 H LEU B 77 -5.071 12.244 3.941 1.00 0.00 H new ATOM 0 HA LEU B 77 -6.463 14.031 2.303 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -5.990 11.046 1.969 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.450 12.151 0.688 1.00 0.00 H new ATOM 0 HG LEU B 77 -3.858 12.258 2.264 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.816 11.551 0.143 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -3.963 10.335 0.752 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -4.429 11.402 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -3.169 13.944 0.605 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -4.795 13.892 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -4.579 14.483 1.549 1.00 0.00 H new ATOM 2275 N LYS B 78 -8.286 11.682 3.687 1.00 0.00 N ATOM 2276 CA LYS B 78 -9.652 11.305 4.003 1.00 0.00 C ATOM 2277 C LYS B 78 -10.212 12.255 5.052 1.00 0.00 C ATOM 2278 O LYS B 78 -10.141 11.980 6.251 1.00 0.00 O ATOM 2279 CB LYS B 78 -9.714 9.874 4.535 1.00 0.00 C ATOM 2280 CG LYS B 78 -8.976 8.857 3.685 1.00 0.00 C ATOM 2281 CD LYS B 78 -8.981 7.498 4.358 1.00 0.00 C ATOM 2282 CE LYS B 78 -8.067 6.510 3.660 1.00 0.00 C ATOM 2283 NZ LYS B 78 -7.974 5.238 4.419 1.00 0.00 N ATOM 0 H LYS B 78 -7.575 11.148 4.186 1.00 0.00 H new ATOM 0 HA LYS B 78 -10.245 11.364 3.090 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -9.300 9.856 5.543 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -10.759 9.574 4.614 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -9.446 8.785 2.704 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -7.949 9.186 3.524 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -8.669 7.608 5.397 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -9.997 7.104 4.370 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -8.441 6.311 2.656 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -7.073 6.945 3.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -7.165 4.685 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -7.843 5.446 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -8.849 4.691 4.289 1.00 0.00 H new