USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1214 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 Single : A 1 MET CE :methyl 152:sc= -0.0429 (180deg=-0.702) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 130:sc= -2.36! (180deg=-5.87!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0882 K(o=-0.088,f=-4.6!) USER MOD Single : A 12 GLN : amide:sc= -0.548 X(o=-0.55,f=-0.082) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -9.65! C(o=-9.7!,f=-15!) USER MOD Single : A 31 GLN : amide:sc= -11! C(o=-11!,f=-18!) USER MOD Single : A 33 CYS SG : rot 30:sc= -4.32! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -4.05! C(o=-4.1!,f=-3.9!) USER MOD Single : A 41 HIS : no HD1:sc= -8.72! C(o=-8.7!,f=-9.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 140:sc= 0.00134 USER MOD Single : A 53 GLN : amide:sc= -0.478 K(o=-0.48,f=-2.2!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.672 USER MOD Single : A 61 TYR OH : rot 16:sc= 0.272 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.648 USER MOD Single : A 64 HIS : no HD1:sc= -0.415 K(o=-0.42,f=-4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -151:sc= -0.347 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.36) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 152:sc= -0.0195 (180deg=-0.7) USER MOD Single : B 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00137) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 133:sc= -2.43! (180deg=-6.02!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -0.0861 K(o=-0.086,f=-4.7!) USER MOD Single : B 12 GLN : amide:sc= -0.618 X(o=-0.62,f=-0.12) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -9.69! C(o=-9.7!,f=-15!) USER MOD Single : B 31 GLN : amide:sc= -11.2! C(o=-11!,f=-19!) USER MOD Single : B 33 CYS SG : rot 31:sc= -4.4! USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 ASN : amide:sc= -3.93! C(o=-3.9!,f=-4.1!) USER MOD Single : B 41 HIS : no HD1:sc= -8.43! C(o=-8.4!,f=-10!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 140:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.466 K(o=-0.47,f=-2.2!) USER MOD Single : B 56 TYR OH : rot 180:sc= -0.559 USER MOD Single : B 61 TYR OH : rot 18:sc= 0.285 USER MOD Single : B 62 THR OG1 : rot 180:sc= -0.679 USER MOD Single : B 64 HIS : no HD1:sc= -0.449 K(o=-0.45,f=-4.3!) USER MOD Single : B 66 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -145:sc= -0.305 USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.31) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.514 16.897 1.717 1.00 42.32 N ATOM 2 CA MET A 1 -0.258 17.172 2.470 1.00 40.89 C ATOM 3 C MET A 1 -0.028 16.060 3.494 1.00 34.75 C ATOM 4 O MET A 1 1.055 15.522 3.611 1.00 33.97 O ATOM 5 CB MET A 1 -0.382 18.521 3.195 1.00 48.45 C ATOM 6 CG MET A 1 0.631 18.603 4.348 1.00 56.13 C ATOM 7 SD MET A 1 1.577 20.141 4.212 1.00 64.91 S ATOM 8 CE MET A 1 0.184 21.282 4.386 1.00 63.43 C ATOM 0 H1 MET A 1 -1.673 17.652 1.020 1.00 42.32 H new ATOM 0 H2 MET A 1 -1.432 15.984 1.226 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.315 16.863 2.379 1.00 42.32 H new ATOM 0 HA MET A 1 0.583 17.209 1.778 1.00 40.89 H new ATOM 0 HB2 MET A 1 -0.210 19.336 2.492 1.00 48.45 H new ATOM 0 HB3 MET A 1 -1.394 18.642 3.582 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.112 18.566 5.306 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.304 17.746 4.317 1.00 56.13 H new ATOM 0 HE1 MET A 1 0.533 22.219 4.819 1.00 63.43 H new ATOM 0 HE2 MET A 1 -0.252 21.476 3.406 1.00 63.43 H new ATOM 0 HE3 MET A 1 -0.570 20.840 5.038 1.00 63.43 H new ATOM 20 N ILE A 2 -1.034 15.728 4.252 1.00 28.59 N ATOM 21 CA ILE A 2 -0.869 14.673 5.286 1.00 24.58 C ATOM 22 C ILE A 2 -0.049 15.256 6.434 1.00 19.29 C ATOM 23 O ILE A 2 1.128 14.987 6.575 1.00 19.53 O ATOM 24 CB ILE A 2 -0.140 13.469 4.695 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.692 13.159 3.303 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.358 12.260 5.603 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.396 12.494 2.469 1.00 33.80 C ATOM 0 H ILE A 2 -1.964 16.143 4.199 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.845 14.346 5.643 1.00 24.58 H new ATOM 0 HB ILE A 2 0.924 13.692 4.618 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.559 12.503 3.380 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.028 14.076 2.819 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.160 11.395 5.188 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.035 12.476 6.597 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.424 12.045 5.673 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.007 12.271 1.475 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.250 13.166 2.382 1.00 33.80 H new ATOM 0 HD13 ILE A 2 0.710 11.569 2.952 1.00 33.80 H new ATOM 39 N LYS A 3 -0.661 16.078 7.236 1.00 18.14 N ATOM 40 CA LYS A 3 0.071 16.720 8.363 1.00 16.66 C ATOM 41 C LYS A 3 0.437 15.691 9.429 1.00 14.94 C ATOM 42 O LYS A 3 -0.197 14.664 9.571 1.00 13.94 O ATOM 43 CB LYS A 3 -0.810 17.803 8.989 1.00 16.94 C ATOM 44 CG LYS A 3 -0.461 19.163 8.381 1.00 17.85 C ATOM 45 CD LYS A 3 -1.638 20.122 8.569 1.00 19.63 C ATOM 46 CE LYS A 3 -1.138 21.432 9.180 1.00 26.28 C ATOM 47 NZ LYS A 3 -1.842 22.578 8.539 1.00 32.72 N ATOM 0 H LYS A 3 -1.645 16.336 7.160 1.00 18.14 H new ATOM 0 HA LYS A 3 0.989 17.161 7.974 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.862 17.575 8.816 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.662 17.827 10.069 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.432 19.568 8.857 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -0.234 19.052 7.321 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -2.119 20.316 7.610 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -2.389 19.670 9.217 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.317 21.436 10.255 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -0.062 21.526 9.036 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -1.503 23.470 8.954 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -1.649 22.576 7.517 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -2.866 22.489 8.698 1.00 32.72 H new ATOM 61 N VAL A 4 1.460 15.977 10.185 1.00 12.42 N ATOM 62 CA VAL A 4 1.891 15.046 11.258 1.00 12.99 C ATOM 63 C VAL A 4 2.750 15.825 12.264 1.00 14.26 C ATOM 64 O VAL A 4 3.148 16.945 12.018 1.00 13.80 O ATOM 65 CB VAL A 4 2.676 13.858 10.642 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.275 14.253 9.292 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.802 13.400 11.583 1.00 10.41 C ATOM 0 H VAL A 4 2.020 16.826 10.102 1.00 12.42 H new ATOM 0 HA VAL A 4 1.025 14.634 11.777 1.00 12.99 H new ATOM 0 HB VAL A 4 1.975 13.035 10.499 1.00 12.94 H new ATOM 0 HG11 VAL A 4 3.822 13.407 8.875 1.00 14.46 H new ATOM 0 HG12 VAL A 4 2.475 14.540 8.609 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.955 15.094 9.428 1.00 14.46 H new ATOM 0 HG21 VAL A 4 4.338 12.566 11.130 1.00 10.41 H new ATOM 0 HG22 VAL A 4 4.492 14.226 11.753 1.00 10.41 H new ATOM 0 HG23 VAL A 4 3.375 13.082 12.534 1.00 10.41 H new ATOM 77 N GLU A 5 3.023 15.244 13.399 1.00 9.27 N ATOM 78 CA GLU A 5 3.841 15.947 14.430 1.00 10.51 C ATOM 79 C GLU A 5 4.738 14.944 15.138 1.00 10.00 C ATOM 80 O GLU A 5 4.287 14.120 15.904 1.00 10.96 O ATOM 81 CB GLU A 5 2.914 16.606 15.449 1.00 10.42 C ATOM 82 CG GLU A 5 2.360 17.897 14.855 1.00 18.68 C ATOM 83 CD GLU A 5 1.229 18.429 15.737 1.00 18.63 C ATOM 84 OE1 GLU A 5 0.490 17.618 16.271 1.00 22.12 O ATOM 85 OE2 GLU A 5 1.122 19.637 15.864 1.00 19.38 O ATOM 0 H GLU A 5 2.714 14.308 13.659 1.00 9.27 H new ATOM 0 HA GLU A 5 4.456 16.708 13.949 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.099 15.931 15.708 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.457 16.818 16.370 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.153 18.641 14.776 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.991 17.715 13.845 1.00 18.68 H new ATOM 92 N ILE A 6 6.009 15.012 14.899 1.00 9.86 N ATOM 93 CA ILE A 6 6.924 14.059 15.586 1.00 10.60 C ATOM 94 C ILE A 6 7.016 14.474 17.063 1.00 10.16 C ATOM 95 O ILE A 6 7.711 15.407 17.415 1.00 11.64 O ATOM 96 CB ILE A 6 8.308 14.069 14.902 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.340 12.966 13.838 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.417 13.801 15.919 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.293 13.585 12.442 1.00 13.81 C ATOM 0 H ILE A 6 6.456 15.676 14.266 1.00 9.86 H new ATOM 0 HA ILE A 6 6.544 13.039 15.523 1.00 10.60 H new ATOM 0 HB ILE A 6 8.471 15.048 14.452 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.245 12.368 13.949 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.494 12.293 13.975 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.383 13.813 15.415 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.400 14.573 16.688 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.260 12.826 16.380 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.316 12.794 11.692 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.376 14.163 12.331 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.154 14.240 12.305 1.00 13.81 H new ATOM 111 N LYS A 7 6.303 13.791 17.927 1.00 11.63 N ATOM 112 CA LYS A 7 6.325 14.142 19.371 1.00 11.59 C ATOM 113 C LYS A 7 7.769 14.375 19.821 1.00 12.98 C ATOM 114 O LYS A 7 8.696 14.088 19.091 1.00 9.79 O ATOM 115 CB LYS A 7 5.707 12.987 20.166 1.00 12.52 C ATOM 116 CG LYS A 7 4.247 13.307 20.522 1.00 14.26 C ATOM 117 CD LYS A 7 3.538 13.977 19.342 1.00 15.70 C ATOM 118 CE LYS A 7 3.204 15.422 19.703 1.00 19.19 C ATOM 119 NZ LYS A 7 4.094 16.349 18.948 1.00 25.43 N ATOM 0 H LYS A 7 5.705 13.001 17.686 1.00 11.63 H new ATOM 0 HA LYS A 7 5.753 15.054 19.544 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.753 12.068 19.581 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.281 12.815 21.076 1.00 12.52 H new ATOM 0 HG2 LYS A 7 3.724 12.390 20.794 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.215 13.963 21.392 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.175 13.950 18.458 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.627 13.433 19.095 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.161 15.633 19.469 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.328 15.577 20.775 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 3.519 17.082 18.486 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 4.765 16.797 19.604 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 4.620 15.815 18.227 1.00 25.43 H new ATOM 133 N PRO A 8 7.917 14.891 21.015 1.00 13.56 N ATOM 134 CA PRO A 8 9.240 15.175 21.594 1.00 11.93 C ATOM 135 C PRO A 8 9.899 13.873 22.042 1.00 10.20 C ATOM 136 O PRO A 8 11.107 13.768 22.126 1.00 12.05 O ATOM 137 CB PRO A 8 8.929 16.088 22.783 1.00 12.78 C ATOM 138 CG PRO A 8 7.450 15.830 23.153 1.00 12.51 C ATOM 139 CD PRO A 8 6.783 15.231 21.900 1.00 13.61 C ATOM 0 HA PRO A 8 9.934 15.640 20.894 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.585 15.867 23.625 1.00 12.78 H new ATOM 0 HB3 PRO A 8 9.088 17.134 22.522 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.375 15.145 23.997 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.957 16.756 23.450 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.191 14.349 22.146 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.109 15.945 21.427 1.00 13.61 H new ATOM 147 N SER A 9 9.109 12.878 22.311 1.00 10.65 N ATOM 148 CA SER A 9 9.673 11.569 22.735 1.00 10.83 C ATOM 149 C SER A 9 9.846 10.676 21.504 1.00 10.94 C ATOM 150 O SER A 9 10.274 9.543 21.601 1.00 13.16 O ATOM 151 CB SER A 9 8.721 10.898 23.725 1.00 13.01 C ATOM 152 OG SER A 9 9.059 11.299 25.047 1.00 15.52 O ATOM 0 H SER A 9 8.091 12.913 22.256 1.00 10.65 H new ATOM 0 HA SER A 9 10.639 11.723 23.215 1.00 10.83 H new ATOM 0 HB2 SER A 9 7.691 11.174 23.501 1.00 13.01 H new ATOM 0 HB3 SER A 9 8.787 9.814 23.633 1.00 13.01 H new ATOM 0 HG SER A 9 8.449 10.872 25.684 1.00 15.52 H new ATOM 158 N GLN A 10 9.520 11.181 20.343 1.00 10.02 N ATOM 159 CA GLN A 10 9.668 10.369 19.104 1.00 11.55 C ATOM 160 C GLN A 10 10.633 11.077 18.152 1.00 13.72 C ATOM 161 O GLN A 10 10.421 11.117 16.957 1.00 17.31 O ATOM 162 CB GLN A 10 8.311 10.216 18.421 1.00 6.60 C ATOM 163 CG GLN A 10 7.226 10.066 19.482 1.00 7.20 C ATOM 164 CD GLN A 10 7.315 8.677 20.118 1.00 10.36 C ATOM 165 OE1 GLN A 10 7.647 7.713 19.457 1.00 13.01 O ATOM 166 NE2 GLN A 10 7.030 8.534 21.384 1.00 4.80 N ATOM 0 H GLN A 10 9.157 12.124 20.201 1.00 10.02 H new ATOM 0 HA GLN A 10 10.056 9.383 19.362 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.106 11.085 17.795 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.317 9.345 17.765 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.342 10.835 20.246 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.243 10.209 19.033 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.751 9.343 21.939 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.086 7.613 21.818 1.00 4.80 H new ATOM 175 N ALA A 11 11.683 11.652 18.670 1.00 15.28 N ATOM 176 CA ALA A 11 12.648 12.370 17.788 1.00 18.95 C ATOM 177 C ALA A 11 13.947 11.568 17.661 1.00 20.75 C ATOM 178 O ALA A 11 14.989 12.110 17.350 1.00 24.78 O ATOM 179 CB ALA A 11 12.955 13.744 18.384 1.00 17.72 C ATOM 0 H ALA A 11 11.915 11.656 19.663 1.00 15.28 H new ATOM 0 HA ALA A 11 12.206 12.487 16.799 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.660 14.270 17.741 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.034 14.321 18.461 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.390 13.621 19.376 1.00 17.72 H new ATOM 185 N GLN A 12 13.900 10.285 17.899 1.00 22.50 N ATOM 186 CA GLN A 12 15.133 9.465 17.790 1.00 25.43 C ATOM 187 C GLN A 12 14.766 8.096 17.196 1.00 22.80 C ATOM 188 O GLN A 12 13.821 7.461 17.620 1.00 20.93 O ATOM 189 CB GLN A 12 15.741 9.305 19.191 1.00 30.18 C ATOM 190 CG GLN A 12 16.440 7.954 19.310 1.00 42.11 C ATOM 191 CD GLN A 12 17.478 8.005 20.433 1.00 46.61 C ATOM 192 OE1 GLN A 12 17.536 7.119 21.263 1.00 46.27 O ATOM 193 NE2 GLN A 12 18.304 9.013 20.496 1.00 47.90 N ATOM 0 H GLN A 12 13.059 9.772 18.164 1.00 22.50 H new ATOM 0 HA GLN A 12 15.864 9.946 17.140 1.00 25.43 H new ATOM 0 HB2 GLN A 12 16.452 10.109 19.381 1.00 30.18 H new ATOM 0 HB3 GLN A 12 14.959 9.386 19.946 1.00 30.18 H new ATOM 0 HG2 GLN A 12 15.708 7.172 19.514 1.00 42.11 H new ATOM 0 HG3 GLN A 12 16.923 7.700 18.367 1.00 42.11 H new ATOM 0 HE21 GLN A 12 18.255 9.757 19.799 1.00 47.90 H new ATOM 0 HE22 GLN A 12 18.998 9.057 21.242 1.00 47.90 H new ATOM 202 N PHE A 13 15.504 7.635 16.220 1.00 21.61 N ATOM 203 CA PHE A 13 15.192 6.318 15.614 1.00 20.51 C ATOM 204 C PHE A 13 15.914 5.215 16.378 1.00 18.83 C ATOM 205 O PHE A 13 16.681 5.468 17.286 1.00 18.83 O ATOM 206 CB PHE A 13 15.681 6.311 14.172 1.00 19.56 C ATOM 207 CG PHE A 13 17.138 6.712 14.160 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.128 5.759 14.421 1.00 15.55 C ATOM 209 CD2 PHE A 13 17.498 8.041 13.898 1.00 20.50 C ATOM 210 CE1 PHE A 13 19.476 6.133 14.418 1.00 14.07 C ATOM 211 CE2 PHE A 13 18.845 8.414 13.895 1.00 20.75 C ATOM 212 CZ PHE A 13 19.833 7.460 14.155 1.00 18.48 C ATOM 0 H PHE A 13 16.309 8.118 15.820 1.00 21.61 H new ATOM 0 HA PHE A 13 14.116 6.147 15.654 1.00 20.51 H new ATOM 0 HB2 PHE A 13 15.557 5.321 13.734 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.093 7.002 13.569 1.00 19.56 H new ATOM 0 HD1 PHE A 13 17.852 4.735 14.625 1.00 15.55 H new ATOM 0 HD2 PHE A 13 16.734 8.778 13.698 1.00 20.50 H new ATOM 0 HE1 PHE A 13 20.241 5.398 14.619 1.00 14.07 H new ATOM 0 HE2 PHE A 13 19.122 9.438 13.692 1.00 20.75 H new ATOM 0 HZ PHE A 13 20.874 7.748 14.153 1.00 18.48 H new ATOM 222 N THR A 14 15.687 3.992 16.000 1.00 14.89 N ATOM 223 CA THR A 14 16.371 2.863 16.681 1.00 13.37 C ATOM 224 C THR A 14 16.980 1.951 15.622 1.00 11.97 C ATOM 225 O THR A 14 16.518 1.890 14.500 1.00 10.76 O ATOM 226 CB THR A 14 15.365 2.073 17.519 1.00 13.68 C ATOM 227 OG1 THR A 14 14.997 2.835 18.660 1.00 13.48 O ATOM 228 CG2 THR A 14 15.998 0.754 17.965 1.00 9.24 C ATOM 0 H THR A 14 15.055 3.724 15.246 1.00 14.89 H new ATOM 0 HA THR A 14 17.151 3.248 17.338 1.00 13.37 H new ATOM 0 HB THR A 14 14.477 1.865 16.922 1.00 13.68 H new ATOM 0 HG1 THR A 14 14.351 2.330 19.196 1.00 13.48 H new ATOM 0 HG21 THR A 14 15.282 0.190 18.562 1.00 9.24 H new ATOM 0 HG22 THR A 14 16.278 0.170 17.088 1.00 9.24 H new ATOM 0 HG23 THR A 14 16.886 0.960 18.563 1.00 9.24 H new ATOM 236 N THR A 15 18.015 1.242 15.964 1.00 13.20 N ATOM 237 CA THR A 15 18.651 0.338 14.971 1.00 12.54 C ATOM 238 C THR A 15 18.269 -1.108 15.282 1.00 14.34 C ATOM 239 O THR A 15 18.635 -1.653 16.305 1.00 17.35 O ATOM 240 CB THR A 15 20.170 0.491 15.042 1.00 11.88 C ATOM 241 OG1 THR A 15 20.494 1.674 15.760 1.00 17.15 O ATOM 242 CG2 THR A 15 20.737 0.579 13.626 1.00 8.30 C ATOM 0 H THR A 15 18.448 1.249 16.887 1.00 13.20 H new ATOM 0 HA THR A 15 18.307 0.598 13.970 1.00 12.54 H new ATOM 0 HB THR A 15 20.601 -0.370 15.552 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.468 1.772 15.807 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.820 0.688 13.674 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.488 -0.329 13.077 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.308 1.441 13.115 1.00 8.30 H new ATOM 435 N LEU A 28 18.525 -0.969 9.330 1.00 18.57 N ATOM 436 CA LEU A 28 18.174 0.460 9.094 1.00 16.31 C ATOM 437 C LEU A 28 17.635 1.086 10.384 1.00 14.21 C ATOM 438 O LEU A 28 17.226 0.399 11.299 1.00 16.97 O ATOM 439 CB LEU A 28 17.108 0.545 8.001 1.00 16.48 C ATOM 440 CG LEU A 28 17.496 1.627 6.991 1.00 22.19 C ATOM 441 CD1 LEU A 28 17.504 1.032 5.581 1.00 24.00 C ATOM 442 CD2 LEU A 28 16.481 2.771 7.057 1.00 22.01 C ATOM 0 HA LEU A 28 19.066 1.002 8.781 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.010 -0.417 7.499 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.138 0.775 8.442 1.00 16.48 H new ATOM 0 HG LEU A 28 18.490 2.007 7.229 1.00 22.19 H new ATOM 0 HD11 LEU A 28 17.780 1.803 4.862 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.226 0.217 5.534 1.00 24.00 H new ATOM 0 HD13 LEU A 28 16.511 0.651 5.341 1.00 24.00 H new ATOM 0 HD21 LEU A 28 16.756 3.543 6.338 1.00 22.01 H new ATOM 0 HD22 LEU A 28 15.488 2.390 6.819 1.00 22.01 H new ATOM 0 HD23 LEU A 28 16.476 3.195 8.061 1.00 22.01 H new ATOM 454 N ASN A 29 17.624 2.391 10.453 1.00 11.64 N ATOM 455 CA ASN A 29 17.104 3.078 11.673 1.00 9.77 C ATOM 456 C ASN A 29 15.664 3.523 11.402 1.00 7.94 C ATOM 457 O ASN A 29 15.379 4.131 10.394 1.00 10.52 O ATOM 458 CB ASN A 29 17.968 4.307 12.018 1.00 14.73 C ATOM 459 CG ASN A 29 18.902 4.672 10.855 1.00 17.90 C ATOM 460 OD1 ASN A 29 19.529 3.814 10.265 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.034 5.924 10.511 1.00 12.89 N ATOM 0 H ASN A 29 17.954 3.013 9.715 1.00 11.64 H new ATOM 0 HA ASN A 29 17.139 2.389 12.517 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.323 5.155 12.250 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.558 4.101 12.911 1.00 14.73 H new ATOM 0 HD21 ASN A 29 19.662 6.180 9.749 1.00 12.89 H new ATOM 0 HD22 ASN A 29 18.509 6.646 11.004 1.00 12.89 H new ATOM 468 N GLU A 30 14.750 3.215 12.283 1.00 8.58 N ATOM 469 CA GLU A 30 13.329 3.618 12.055 1.00 13.16 C ATOM 470 C GLU A 30 12.893 4.605 13.144 1.00 12.26 C ATOM 471 O GLU A 30 13.405 4.591 14.246 1.00 10.58 O ATOM 472 CB GLU A 30 12.437 2.374 12.107 1.00 14.93 C ATOM 473 CG GLU A 30 12.758 1.467 10.917 1.00 27.13 C ATOM 474 CD GLU A 30 13.324 0.139 11.423 1.00 33.28 C ATOM 475 OE1 GLU A 30 12.587 -0.590 12.066 1.00 40.03 O ATOM 476 OE2 GLU A 30 14.485 -0.127 11.157 1.00 38.01 O ATOM 0 H GLU A 30 14.924 2.704 13.148 1.00 8.58 H new ATOM 0 HA GLU A 30 13.238 4.095 11.079 1.00 13.16 H new ATOM 0 HB2 GLU A 30 12.598 1.837 13.042 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.387 2.665 12.083 1.00 14.93 H new ATOM 0 HG2 GLU A 30 11.858 1.290 10.329 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.478 1.954 10.259 1.00 27.13 H new ATOM 483 N GLN A 31 11.951 5.463 12.847 1.00 10.34 N ATOM 484 CA GLN A 31 11.491 6.447 13.870 1.00 9.46 C ATOM 485 C GLN A 31 9.960 6.517 13.875 1.00 10.09 C ATOM 486 O GLN A 31 9.299 5.948 13.028 1.00 9.36 O ATOM 487 CB GLN A 31 12.058 7.832 13.544 1.00 7.25 C ATOM 488 CG GLN A 31 12.399 8.562 14.843 1.00 10.62 C ATOM 489 CD GLN A 31 11.396 9.693 15.060 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.241 9.448 15.348 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.788 10.930 14.929 1.00 12.39 N ATOM 0 H GLN A 31 11.482 5.524 11.943 1.00 10.34 H new ATOM 0 HA GLN A 31 11.842 6.129 14.851 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.949 7.735 12.924 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.332 8.408 12.970 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.370 7.868 15.683 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.412 8.962 14.795 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.758 11.135 14.687 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.125 11.693 15.068 1.00 12.39 H new ATOM 500 N LEU A 32 9.393 7.206 14.829 1.00 6.80 N ATOM 501 CA LEU A 32 7.909 7.312 14.902 1.00 10.34 C ATOM 502 C LEU A 32 7.454 8.707 14.457 1.00 9.02 C ATOM 503 O LEU A 32 8.255 9.558 14.124 1.00 11.15 O ATOM 504 CB LEU A 32 7.475 7.070 16.341 1.00 10.20 C ATOM 505 CG LEU A 32 7.360 5.566 16.582 1.00 16.38 C ATOM 506 CD1 LEU A 32 6.089 5.036 15.918 1.00 17.42 C ATOM 507 CD2 LEU A 32 8.582 4.850 15.995 1.00 15.89 C ATOM 0 H LEU A 32 9.897 7.702 15.564 1.00 6.80 H new ATOM 0 HA LEU A 32 7.457 6.572 14.242 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.197 7.507 17.030 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.518 7.556 16.532 1.00 10.20 H new ATOM 0 HG LEU A 32 7.315 5.378 17.655 1.00 16.38 H new ATOM 0 HD11 LEU A 32 6.009 3.963 16.091 1.00 17.42 H new ATOM 0 HD12 LEU A 32 5.220 5.538 16.343 1.00 17.42 H new ATOM 0 HD13 LEU A 32 6.131 5.229 14.846 1.00 17.42 H new ATOM 0 HD21 LEU A 32 8.494 3.778 16.170 1.00 15.89 H new ATOM 0 HD22 LEU A 32 8.635 5.040 14.923 1.00 15.89 H new ATOM 0 HD23 LEU A 32 9.487 5.223 16.474 1.00 15.89 H new ATOM 519 N CYS A 33 6.168 8.946 14.451 1.00 9.68 N ATOM 520 CA CYS A 33 5.643 10.275 14.035 1.00 8.10 C ATOM 521 C CYS A 33 4.138 10.285 14.292 1.00 6.34 C ATOM 522 O CYS A 33 3.515 9.247 14.371 1.00 8.02 O ATOM 523 CB CYS A 33 5.898 10.522 12.541 1.00 8.88 C ATOM 524 SG CYS A 33 6.350 8.982 11.697 1.00 13.84 S ATOM 0 H CYS A 33 5.454 8.268 14.720 1.00 9.68 H new ATOM 0 HA CYS A 33 6.147 11.058 14.602 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.005 10.945 12.081 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.696 11.255 12.421 1.00 8.88 H new ATOM 0 HG CYS A 33 5.782 7.977 12.294 1.00 13.84 H new ATOM 530 N TYR A 34 3.542 11.435 14.419 1.00 7.35 N ATOM 531 CA TYR A 34 2.075 11.472 14.669 1.00 7.08 C ATOM 532 C TYR A 34 1.369 12.052 13.449 1.00 7.71 C ATOM 533 O TYR A 34 1.429 13.237 13.195 1.00 7.80 O ATOM 534 CB TYR A 34 1.781 12.355 15.877 1.00 8.67 C ATOM 535 CG TYR A 34 1.893 11.554 17.153 1.00 9.11 C ATOM 536 CD1 TYR A 34 0.807 10.786 17.597 1.00 13.61 C ATOM 537 CD2 TYR A 34 3.071 11.600 17.903 1.00 12.44 C ATOM 538 CE1 TYR A 34 0.902 10.069 18.791 1.00 17.22 C ATOM 539 CE2 TYR A 34 3.164 10.885 19.099 1.00 16.38 C ATOM 540 CZ TYR A 34 2.078 10.122 19.542 1.00 16.83 C ATOM 541 OH TYR A 34 2.171 9.416 20.724 1.00 21.14 O ATOM 0 H TYR A 34 4.001 12.344 14.361 1.00 7.35 H new ATOM 0 HA TYR A 34 1.718 10.460 14.860 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.479 13.192 15.903 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.780 12.778 15.792 1.00 8.67 H new ATOM 0 HD1 TYR A 34 -0.102 10.749 17.016 1.00 13.61 H new ATOM 0 HD2 TYR A 34 3.909 12.188 17.558 1.00 12.44 H new ATOM 0 HE1 TYR A 34 0.068 9.475 19.133 1.00 17.22 H new ATOM 0 HE2 TYR A 34 4.073 10.921 19.681 1.00 16.38 H new ATOM 0 HH TYR A 34 3.055 9.560 21.122 1.00 21.14 H new ATOM 551 N VAL A 35 0.705 11.231 12.688 1.00 9.44 N ATOM 552 CA VAL A 35 0.008 11.751 11.481 1.00 10.66 C ATOM 553 C VAL A 35 -1.507 11.764 11.697 1.00 10.57 C ATOM 554 O VAL A 35 -2.130 10.735 11.866 1.00 8.31 O ATOM 555 CB VAL A 35 0.335 10.866 10.278 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.248 11.499 9.012 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.854 10.742 10.134 1.00 9.86 C ATOM 0 H VAL A 35 0.615 10.228 12.848 1.00 9.44 H new ATOM 0 HA VAL A 35 0.349 12.770 11.298 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.097 9.876 10.424 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.017 10.871 8.152 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.329 11.590 9.115 1.00 7.97 H new ATOM 0 HG13 VAL A 35 0.187 12.488 8.866 1.00 7.97 H new ATOM 0 HG21 VAL A 35 2.088 10.111 9.276 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.287 11.731 9.986 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.270 10.295 11.037 1.00 9.86 H new ATOM 567 N ASP A 36 -2.108 12.924 11.663 1.00 8.58 N ATOM 568 CA ASP A 36 -3.574 13.008 11.825 1.00 11.48 C ATOM 569 C ASP A 36 -4.190 13.040 10.429 1.00 12.38 C ATOM 570 O ASP A 36 -5.102 13.794 10.155 1.00 11.89 O ATOM 571 CB ASP A 36 -3.942 14.287 12.578 1.00 16.17 C ATOM 572 CG ASP A 36 -2.855 14.612 13.603 1.00 17.97 C ATOM 573 OD1 ASP A 36 -1.716 14.776 13.197 1.00 15.67 O ATOM 574 OD2 ASP A 36 -3.180 14.692 14.776 1.00 25.89 O ATOM 0 H ASP A 36 -1.636 13.818 11.529 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.945 12.154 12.392 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -4.053 15.114 11.877 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -4.902 14.162 13.079 1.00 16.17 H new ATOM 579 N LEU A 37 -3.664 12.233 9.543 1.00 13.17 N ATOM 580 CA LEU A 37 -4.166 12.192 8.139 1.00 18.47 C ATOM 581 C LEU A 37 -5.676 12.417 8.109 1.00 21.14 C ATOM 582 O LEU A 37 -6.215 12.965 7.169 1.00 24.24 O ATOM 583 CB LEU A 37 -3.840 10.830 7.519 1.00 15.81 C ATOM 584 CG LEU A 37 -4.127 9.718 8.529 1.00 20.59 C ATOM 585 CD1 LEU A 37 -5.614 9.357 8.484 1.00 14.72 C ATOM 586 CD2 LEU A 37 -3.290 8.485 8.177 1.00 20.01 C ATOM 0 H LEU A 37 -2.896 11.591 9.738 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.680 12.982 7.567 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -4.435 10.678 6.619 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -2.793 10.799 7.218 1.00 15.81 H new ATOM 0 HG LEU A 37 -3.869 10.060 9.531 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -5.818 8.564 9.204 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -6.209 10.235 8.733 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -5.875 9.014 7.483 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -3.492 7.691 8.895 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -3.549 8.143 7.175 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -2.231 8.742 8.210 1.00 20.01 H new ATOM 598 N GLY A 38 -6.369 12.008 9.127 1.00 20.70 N ATOM 599 CA GLY A 38 -7.831 12.213 9.136 1.00 23.91 C ATOM 600 C GLY A 38 -8.466 11.352 10.231 1.00 26.50 C ATOM 601 O GLY A 38 -9.404 10.619 9.988 1.00 31.02 O ATOM 0 H GLY A 38 -5.986 11.542 9.950 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -8.059 13.265 9.309 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -8.251 11.951 8.165 1.00 23.91 H new ATOM 605 N ASN A 39 -7.959 11.428 11.434 1.00 27.64 N ATOM 606 CA ASN A 39 -8.533 10.609 12.534 1.00 30.27 C ATOM 607 C ASN A 39 -8.905 11.505 13.718 1.00 26.79 C ATOM 608 O ASN A 39 -9.087 11.044 14.824 1.00 26.87 O ATOM 609 CB ASN A 39 -7.511 9.561 12.984 1.00 35.62 C ATOM 610 CG ASN A 39 -7.163 8.642 11.811 1.00 41.31 C ATOM 611 OD1 ASN A 39 -7.827 8.660 10.793 1.00 43.23 O ATOM 612 ND2 ASN A 39 -6.143 7.831 11.910 1.00 39.63 N ATOM 0 H ASN A 39 -7.173 12.022 11.699 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.431 10.108 12.171 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.611 10.052 13.353 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.916 8.975 13.809 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.905 7.214 11.133 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.585 7.815 12.764 1.00 39.63 H new ATOM 619 N GLU A 40 -9.029 12.780 13.492 1.00 25.15 N ATOM 620 CA GLU A 40 -9.400 13.701 14.607 1.00 23.81 C ATOM 621 C GLU A 40 -8.359 13.610 15.729 1.00 21.12 C ATOM 622 O GLU A 40 -8.657 13.841 16.884 1.00 19.86 O ATOM 623 CB GLU A 40 -10.772 13.303 15.156 1.00 27.22 C ATOM 624 CG GLU A 40 -11.866 13.786 14.200 1.00 34.87 C ATOM 625 CD GLU A 40 -13.231 13.308 14.698 1.00 38.97 C ATOM 626 OE1 GLU A 40 -13.431 13.300 15.901 1.00 39.54 O ATOM 627 OE2 GLU A 40 -14.053 12.959 13.867 1.00 42.34 O ATOM 0 H GLU A 40 -8.891 13.228 12.586 1.00 25.15 H new ATOM 0 HA GLU A 40 -9.434 14.724 14.232 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.828 12.221 15.273 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.920 13.738 16.144 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -11.852 14.874 14.135 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.680 13.405 13.196 1.00 34.87 H new ATOM 634 N HIS A 41 -7.142 13.276 15.398 1.00 4.46 N ATOM 635 CA HIS A 41 -6.080 13.169 16.440 1.00 3.99 C ATOM 636 C HIS A 41 -4.793 12.678 15.774 1.00 3.03 C ATOM 637 O HIS A 41 -4.834 12.158 14.677 1.00 2.21 O ATOM 638 CB HIS A 41 -6.521 12.173 17.516 1.00 4.26 C ATOM 639 CG HIS A 41 -6.897 10.866 16.880 1.00 3.84 C ATOM 640 ND1 HIS A 41 -8.177 10.343 16.961 1.00 4.15 N ATOM 641 CD2 HIS A 41 -6.166 9.960 16.158 1.00 4.83 C ATOM 642 CE1 HIS A 41 -8.178 9.169 16.304 1.00 5.54 C ATOM 643 NE2 HIS A 41 -6.975 8.887 15.794 1.00 6.37 N ATOM 0 H HIS A 41 -6.836 13.072 14.447 1.00 4.46 H new ATOM 0 HA HIS A 41 -5.909 14.140 16.905 1.00 3.99 H new ATOM 0 HB2 HIS A 41 -5.715 12.019 18.234 1.00 4.26 H new ATOM 0 HB3 HIS A 41 -7.369 12.575 18.070 1.00 4.26 H new ATOM 0 HD2 HIS A 41 -5.120 10.063 15.909 1.00 4.83 H new ATOM 0 HE1 HIS A 41 -9.044 8.532 16.201 1.00 5.54 H new ATOM 0 HE2 HIS A 41 -6.708 8.064 15.255 1.00 6.37 H new ATOM 651 N PRO A 42 -3.682 12.857 16.444 1.00 15.11 N ATOM 652 CA PRO A 42 -2.380 12.435 15.910 1.00 16.08 C ATOM 653 C PRO A 42 -2.222 10.926 16.039 1.00 17.92 C ATOM 654 O PRO A 42 -2.525 10.343 17.061 1.00 17.13 O ATOM 655 CB PRO A 42 -1.369 13.152 16.798 1.00 16.41 C ATOM 656 CG PRO A 42 -2.101 13.472 18.116 1.00 13.79 C ATOM 657 CD PRO A 42 -3.610 13.482 17.784 1.00 16.28 C ATOM 0 HA PRO A 42 -2.258 12.674 14.854 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.497 12.524 16.980 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.011 14.064 16.321 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.875 12.725 18.877 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.784 14.437 18.512 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.185 12.919 18.519 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.011 14.496 17.774 1.00 16.28 H new ATOM 665 N VAL A 43 -1.742 10.291 15.016 1.00 16.29 N ATOM 666 CA VAL A 43 -1.556 8.823 15.086 1.00 14.28 C ATOM 667 C VAL A 43 -0.064 8.512 15.097 1.00 9.00 C ATOM 668 O VAL A 43 0.651 8.808 14.160 1.00 7.99 O ATOM 669 CB VAL A 43 -2.224 8.160 13.880 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.601 8.789 13.650 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.361 8.359 12.630 1.00 20.57 C ATOM 0 H VAL A 43 -1.470 10.724 14.134 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.014 8.435 15.996 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.334 7.093 14.075 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.078 8.317 12.791 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.220 8.642 14.535 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.486 9.856 13.461 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.843 7.884 11.776 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.244 9.425 12.435 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.381 7.910 12.789 1.00 20.57 H new ATOM 681 N LEU A 44 0.415 7.921 16.152 1.00 10.19 N ATOM 682 CA LEU A 44 1.860 7.601 16.221 1.00 11.55 C ATOM 683 C LEU A 44 2.170 6.471 15.244 1.00 10.61 C ATOM 684 O LEU A 44 2.001 5.306 15.543 1.00 13.49 O ATOM 685 CB LEU A 44 2.222 7.181 17.638 1.00 10.60 C ATOM 686 CG LEU A 44 3.712 6.862 17.702 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.516 8.155 17.555 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.037 6.206 19.046 1.00 20.21 C ATOM 0 H LEU A 44 -0.133 7.647 16.968 1.00 10.19 H new ATOM 0 HA LEU A 44 2.446 8.480 15.953 1.00 11.55 H new ATOM 0 HB2 LEU A 44 1.978 7.979 18.340 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.638 6.309 17.932 1.00 10.60 H new ATOM 0 HG LEU A 44 3.973 6.179 16.894 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.581 7.928 17.601 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.285 8.620 16.597 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.256 8.839 18.363 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.102 5.978 19.092 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.777 6.888 19.856 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.464 5.285 19.149 1.00 20.21 H new ATOM 700 N VAL A 45 2.616 6.816 14.072 1.00 10.81 N ATOM 701 CA VAL A 45 2.935 5.778 13.054 1.00 9.29 C ATOM 702 C VAL A 45 4.456 5.636 12.933 1.00 9.95 C ATOM 703 O VAL A 45 5.204 6.499 13.347 1.00 9.36 O ATOM 704 CB VAL A 45 2.326 6.188 11.709 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.184 7.273 11.054 1.00 7.95 C ATOM 706 CG2 VAL A 45 2.254 4.967 10.787 1.00 10.20 C ATOM 0 H VAL A 45 2.775 7.778 13.772 1.00 10.81 H new ATOM 0 HA VAL A 45 2.516 4.818 13.354 1.00 9.29 H new ATOM 0 HB VAL A 45 1.323 6.580 11.877 1.00 4.64 H new ATOM 0 HG11 VAL A 45 2.743 7.558 10.099 1.00 7.95 H new ATOM 0 HG12 VAL A 45 3.229 8.145 11.707 1.00 7.95 H new ATOM 0 HG13 VAL A 45 4.191 6.890 10.889 1.00 7.95 H new ATOM 0 HG21 VAL A 45 1.821 5.259 9.830 1.00 10.20 H new ATOM 0 HG22 VAL A 45 3.257 4.573 10.626 1.00 10.20 H new ATOM 0 HG23 VAL A 45 1.632 4.199 11.248 1.00 10.20 H new ATOM 716 N LYS A 46 4.918 4.545 12.386 1.00 10.76 N ATOM 717 CA LYS A 46 6.389 4.336 12.259 1.00 12.81 C ATOM 718 C LYS A 46 6.977 5.270 11.198 1.00 13.35 C ATOM 719 O LYS A 46 6.290 6.079 10.608 1.00 12.90 O ATOM 720 CB LYS A 46 6.663 2.884 11.860 1.00 17.04 C ATOM 721 CG LYS A 46 7.881 2.364 12.627 1.00 26.60 C ATOM 722 CD LYS A 46 7.420 1.664 13.907 1.00 33.77 C ATOM 723 CE LYS A 46 6.610 0.418 13.544 1.00 34.48 C ATOM 724 NZ LYS A 46 6.918 -0.673 14.512 1.00 36.74 N ATOM 0 H LYS A 46 4.340 3.788 12.021 1.00 10.76 H new ATOM 0 HA LYS A 46 6.857 4.555 13.219 1.00 12.81 H new ATOM 0 HB2 LYS A 46 5.792 2.266 12.077 1.00 17.04 H new ATOM 0 HB3 LYS A 46 6.841 2.818 10.787 1.00 17.04 H new ATOM 0 HG2 LYS A 46 8.447 1.671 12.005 1.00 26.60 H new ATOM 0 HG3 LYS A 46 8.549 3.190 12.872 1.00 26.60 H new ATOM 0 HD2 LYS A 46 8.282 1.386 14.513 1.00 33.77 H new ATOM 0 HD3 LYS A 46 6.814 2.343 14.507 1.00 33.77 H new ATOM 0 HE2 LYS A 46 5.544 0.646 13.563 1.00 34.48 H new ATOM 0 HE3 LYS A 46 6.850 0.098 12.530 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 6.368 -1.521 14.266 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 7.933 -0.896 14.473 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 6.668 -0.365 15.473 1.00 36.74 H new ATOM 738 N ILE A 47 8.255 5.152 10.959 1.00 13.96 N ATOM 739 CA ILE A 47 8.929 6.010 9.948 1.00 16.93 C ATOM 740 C ILE A 47 10.324 5.428 9.682 1.00 16.52 C ATOM 741 O ILE A 47 10.931 4.839 10.554 1.00 17.67 O ATOM 742 CB ILE A 47 9.024 7.453 10.493 1.00 19.74 C ATOM 743 CG1 ILE A 47 8.605 8.449 9.408 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.449 7.779 10.949 1.00 18.08 C ATOM 745 CD1 ILE A 47 9.493 8.282 8.173 1.00 18.26 C ATOM 0 H ILE A 47 8.868 4.487 11.430 1.00 13.96 H new ATOM 0 HA ILE A 47 8.367 6.034 9.014 1.00 16.93 H new ATOM 0 HB ILE A 47 8.355 7.532 11.350 1.00 19.74 H new ATOM 0 HG12 ILE A 47 7.561 8.289 9.140 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.684 9.468 9.788 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.485 8.801 11.327 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.745 7.089 11.739 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.132 7.680 10.106 1.00 18.08 H new ATOM 0 HD11 ILE A 47 9.188 8.994 7.406 1.00 18.26 H new ATOM 0 HD12 ILE A 47 10.533 8.465 8.445 1.00 18.26 H new ATOM 0 HD13 ILE A 47 9.392 7.268 7.787 1.00 18.26 H new ATOM 757 N THR A 48 10.842 5.586 8.497 1.00 16.86 N ATOM 758 CA THR A 48 12.197 5.035 8.214 1.00 16.59 C ATOM 759 C THR A 48 13.252 6.102 8.505 1.00 19.04 C ATOM 760 O THR A 48 12.993 7.287 8.433 1.00 22.56 O ATOM 761 CB THR A 48 12.289 4.604 6.748 1.00 16.30 C ATOM 762 OG1 THR A 48 10.982 4.372 6.240 1.00 17.90 O ATOM 763 CG2 THR A 48 13.116 3.319 6.645 1.00 16.02 C ATOM 0 H THR A 48 10.392 6.068 7.719 1.00 16.86 H new ATOM 0 HA THR A 48 12.372 4.168 8.851 1.00 16.59 H new ATOM 0 HB THR A 48 12.769 5.391 6.166 1.00 16.30 H new ATOM 0 HG1 THR A 48 10.921 4.718 5.325 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.182 3.011 5.601 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.118 3.499 7.034 1.00 16.02 H new ATOM 0 HG23 THR A 48 12.637 2.531 7.226 1.00 16.02 H new ATOM 771 N LEU A 49 14.441 5.686 8.838 1.00 18.35 N ATOM 772 CA LEU A 49 15.526 6.658 9.142 1.00 18.82 C ATOM 773 C LEU A 49 16.786 6.247 8.375 1.00 20.06 C ATOM 774 O LEU A 49 17.477 5.320 8.748 1.00 18.35 O ATOM 775 CB LEU A 49 15.807 6.647 10.653 1.00 18.79 C ATOM 776 CG LEU A 49 15.860 8.075 11.193 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.144 8.757 10.717 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.645 8.863 10.696 1.00 14.50 C ATOM 0 H LEU A 49 14.710 4.705 8.913 1.00 18.35 H new ATOM 0 HA LEU A 49 15.227 7.662 8.841 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.030 6.084 11.170 1.00 18.79 H new ATOM 0 HB3 LEU A 49 16.752 6.141 10.850 1.00 18.79 H new ATOM 0 HG LEU A 49 15.848 8.047 12.283 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.180 9.776 11.103 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.008 8.201 11.081 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.161 8.782 9.627 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.688 9.881 11.084 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.650 8.890 9.606 1.00 14.50 H new ATOM 0 HD23 LEU A 49 13.731 8.380 11.043 1.00 14.50 H new ATOM 790 N ASP A 50 17.082 6.923 7.298 1.00 22.62 N ATOM 791 CA ASP A 50 18.289 6.567 6.499 1.00 27.04 C ATOM 792 C ASP A 50 19.477 6.333 7.434 1.00 27.73 C ATOM 793 O ASP A 50 19.644 7.015 8.425 1.00 26.65 O ATOM 794 CB ASP A 50 18.617 7.707 5.534 1.00 29.11 C ATOM 795 CG ASP A 50 19.740 7.270 4.590 1.00 30.37 C ATOM 796 OD1 ASP A 50 19.471 6.464 3.715 1.00 33.99 O ATOM 797 OD2 ASP A 50 20.849 7.749 4.760 1.00 30.76 O ATOM 0 H ASP A 50 16.539 7.707 6.937 1.00 22.62 H new ATOM 0 HA ASP A 50 18.090 5.656 5.934 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.731 7.979 4.961 1.00 29.11 H new ATOM 0 HB3 ASP A 50 18.920 8.593 6.091 1.00 29.11 H new ATOM 802 N GLU A 51 20.306 5.374 7.121 1.00 31.16 N ATOM 803 CA GLU A 51 21.486 5.096 7.986 1.00 34.22 C ATOM 804 C GLU A 51 22.398 6.324 8.008 1.00 34.98 C ATOM 805 O GLU A 51 23.124 6.585 7.069 1.00 34.19 O ATOM 806 CB GLU A 51 22.258 3.899 7.427 1.00 38.24 C ATOM 807 CG GLU A 51 23.007 3.199 8.562 1.00 46.84 C ATOM 808 CD GLU A 51 23.790 2.011 8.000 1.00 51.38 C ATOM 809 OE1 GLU A 51 23.416 1.525 6.946 1.00 54.92 O ATOM 810 OE2 GLU A 51 24.751 1.607 8.635 1.00 53.83 O ATOM 0 H GLU A 51 20.216 4.771 6.303 1.00 31.16 H new ATOM 0 HA GLU A 51 21.151 4.871 8.999 1.00 34.22 H new ATOM 0 HB2 GLU A 51 21.571 3.202 6.946 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.961 4.231 6.663 1.00 38.24 H new ATOM 0 HG2 GLU A 51 23.686 3.898 9.049 1.00 46.84 H new ATOM 0 HG3 GLU A 51 22.303 2.858 9.321 1.00 46.84 H new ATOM 817 N GLY A 52 22.367 7.080 9.069 1.00 34.53 N ATOM 818 CA GLY A 52 23.230 8.290 9.146 1.00 34.93 C ATOM 819 C GLY A 52 22.350 9.532 9.293 1.00 36.10 C ATOM 820 O GLY A 52 22.771 10.545 9.815 1.00 35.97 O ATOM 0 H GLY A 52 21.781 6.912 9.887 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.911 8.211 9.993 1.00 34.93 H new ATOM 0 HA3 GLY A 52 23.844 8.370 8.249 1.00 34.93 H new ATOM 824 N GLN A 53 21.129 9.460 8.839 1.00 36.52 N ATOM 825 CA GLN A 53 20.222 10.635 8.956 1.00 35.40 C ATOM 826 C GLN A 53 19.723 10.745 10.399 1.00 31.02 C ATOM 827 O GLN A 53 19.556 9.747 11.073 1.00 29.05 O ATOM 828 CB GLN A 53 19.029 10.454 8.015 1.00 41.20 C ATOM 829 CG GLN A 53 19.346 11.086 6.658 1.00 47.61 C ATOM 830 CD GLN A 53 18.094 11.069 5.780 1.00 53.32 C ATOM 831 OE1 GLN A 53 16.995 10.905 6.271 1.00 53.91 O ATOM 832 NE2 GLN A 53 18.215 11.232 4.491 1.00 54.76 N ATOM 0 H GLN A 53 20.721 8.639 8.392 1.00 36.52 H new ATOM 0 HA GLN A 53 20.761 11.543 8.685 1.00 35.40 H new ATOM 0 HB2 GLN A 53 18.808 9.394 7.891 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.140 10.917 8.445 1.00 41.20 H new ATOM 0 HG2 GLN A 53 19.693 12.110 6.795 1.00 47.61 H new ATOM 0 HG3 GLN A 53 20.152 10.539 6.170 1.00 47.61 H new ATOM 0 HE21 GLN A 53 19.138 11.370 4.079 1.00 54.76 H new ATOM 0 HE22 GLN A 53 17.387 11.222 3.896 1.00 54.76 H new ATOM 841 N PRO A 54 19.500 11.958 10.831 1.00 27.43 N ATOM 842 CA PRO A 54 19.018 12.240 12.192 1.00 23.44 C ATOM 843 C PRO A 54 17.514 11.970 12.292 1.00 20.14 C ATOM 844 O PRO A 54 16.733 12.487 11.519 1.00 21.64 O ATOM 845 CB PRO A 54 19.319 13.726 12.381 1.00 24.39 C ATOM 846 CG PRO A 54 19.423 14.330 10.965 1.00 27.18 C ATOM 847 CD PRO A 54 19.708 13.162 10.003 1.00 28.37 C ATOM 0 HA PRO A 54 19.490 11.616 12.951 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.530 14.213 12.954 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.248 13.867 12.933 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.498 14.838 10.693 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.220 15.072 10.919 1.00 27.18 H new ATOM 0 HD2 PRO A 54 19.035 13.178 9.146 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.724 13.206 9.611 1.00 28.37 H new ATOM 855 N ALA A 55 17.105 11.161 13.236 1.00 17.21 N ATOM 856 CA ALA A 55 15.655 10.856 13.386 1.00 15.58 C ATOM 857 C ALA A 55 14.827 12.123 13.160 1.00 16.41 C ATOM 858 O ALA A 55 15.305 13.229 13.316 1.00 13.65 O ATOM 859 CB ALA A 55 15.399 10.327 14.795 1.00 13.98 C ATOM 0 H ALA A 55 17.716 10.699 13.909 1.00 17.21 H new ATOM 0 HA ALA A 55 15.366 10.107 12.649 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.339 10.102 14.912 1.00 13.98 H new ATOM 0 HB2 ALA A 55 15.983 9.420 14.955 1.00 13.98 H new ATOM 0 HB3 ALA A 55 15.692 11.081 15.526 1.00 13.98 H new ATOM 865 N TYR A 56 13.585 11.966 12.794 1.00 15.93 N ATOM 866 CA TYR A 56 12.718 13.153 12.557 1.00 14.61 C ATOM 867 C TYR A 56 12.660 13.995 13.833 1.00 15.51 C ATOM 868 O TYR A 56 12.097 13.592 14.830 1.00 17.19 O ATOM 869 CB TYR A 56 11.310 12.686 12.172 1.00 12.92 C ATOM 870 CG TYR A 56 11.368 11.977 10.833 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.791 10.643 10.766 1.00 12.42 C ATOM 872 CD2 TYR A 56 11.011 12.654 9.663 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.855 9.989 9.530 1.00 11.47 C ATOM 874 CE2 TYR A 56 11.076 11.999 8.427 1.00 7.90 C ATOM 875 CZ TYR A 56 11.498 10.667 8.362 1.00 10.29 C ATOM 876 OH TYR A 56 11.561 10.022 7.144 1.00 12.03 O ATOM 0 H TYR A 56 13.132 11.064 12.649 1.00 15.93 H new ATOM 0 HA TYR A 56 13.127 13.756 11.746 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.915 12.015 12.935 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.634 13.539 12.116 1.00 12.92 H new ATOM 0 HD1 TYR A 56 12.068 10.119 11.669 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.685 13.682 9.712 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.180 8.960 9.479 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.800 12.523 7.524 1.00 7.90 H new ATOM 0 HH TYR A 56 11.278 10.635 6.434 1.00 12.03 H new ATOM 886 N ALA A 57 13.247 15.160 13.811 1.00 13.38 N ATOM 887 CA ALA A 57 13.234 16.027 15.023 1.00 14.95 C ATOM 888 C ALA A 57 11.788 16.286 15.460 1.00 15.46 C ATOM 889 O ALA A 57 10.859 15.963 14.747 1.00 17.82 O ATOM 890 CB ALA A 57 13.915 17.359 14.703 1.00 14.98 C ATOM 0 H ALA A 57 13.736 15.549 13.005 1.00 13.38 H new ATOM 0 HA ALA A 57 13.770 15.526 15.830 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.906 17.994 15.589 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.945 17.177 14.397 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.379 17.856 13.894 1.00 14.98 H new ATOM 896 N PRO A 58 11.647 16.864 16.626 1.00 15.20 N ATOM 897 CA PRO A 58 10.329 17.188 17.199 1.00 16.55 C ATOM 898 C PRO A 58 9.761 18.452 16.549 1.00 16.75 C ATOM 899 O PRO A 58 10.205 19.551 16.814 1.00 17.28 O ATOM 900 CB PRO A 58 10.631 17.426 18.681 1.00 15.65 C ATOM 901 CG PRO A 58 12.134 17.783 18.769 1.00 14.16 C ATOM 902 CD PRO A 58 12.789 17.250 17.480 1.00 13.96 C ATOM 0 HA PRO A 58 9.588 16.405 17.040 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.016 18.234 19.078 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.408 16.537 19.270 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.272 18.861 18.857 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.589 17.331 19.650 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.404 18.012 17.002 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.438 16.399 17.686 1.00 13.96 H new ATOM 910 N GLY A 59 8.784 18.304 15.697 1.00 17.22 N ATOM 911 CA GLY A 59 8.192 19.498 15.031 1.00 15.08 C ATOM 912 C GLY A 59 6.995 19.070 14.181 1.00 14.96 C ATOM 913 O GLY A 59 6.610 17.919 14.172 1.00 13.79 O ATOM 0 H GLY A 59 8.371 17.409 15.434 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.878 20.226 15.779 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.939 19.986 14.405 1.00 15.08 H new ATOM 917 N LEU A 60 6.404 19.988 13.464 1.00 15.83 N ATOM 918 CA LEU A 60 5.238 19.632 12.608 1.00 14.53 C ATOM 919 C LEU A 60 5.750 18.913 11.361 1.00 14.15 C ATOM 920 O LEU A 60 6.755 19.292 10.793 1.00 13.27 O ATOM 921 CB LEU A 60 4.508 20.910 12.190 1.00 15.84 C ATOM 922 CG LEU A 60 3.014 20.752 12.457 1.00 16.91 C ATOM 923 CD1 LEU A 60 2.314 22.097 12.249 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.432 19.716 11.493 1.00 15.01 C ATOM 0 H LEU A 60 6.679 20.970 13.435 1.00 15.83 H new ATOM 0 HA LEU A 60 4.553 18.987 13.158 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.899 21.763 12.744 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.680 21.111 11.133 1.00 15.84 H new ATOM 0 HG LEU A 60 2.860 20.419 13.483 1.00 16.91 H new ATOM 0 HD11 LEU A 60 1.247 21.985 12.440 1.00 19.57 H new ATOM 0 HD12 LEU A 60 2.730 22.834 12.936 1.00 19.57 H new ATOM 0 HD13 LEU A 60 2.466 22.432 11.223 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.365 19.602 11.682 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.585 20.048 10.466 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.931 18.759 11.643 1.00 15.01 H new ATOM 936 N TYR A 61 5.087 17.877 10.925 1.00 11.12 N ATOM 937 CA TYR A 61 5.579 17.165 9.722 1.00 9.57 C ATOM 938 C TYR A 61 4.487 16.990 8.690 1.00 11.76 C ATOM 939 O TYR A 61 3.309 17.121 8.955 1.00 11.26 O ATOM 940 CB TYR A 61 6.119 15.796 10.107 1.00 9.42 C ATOM 941 CG TYR A 61 7.527 15.970 10.580 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.773 16.500 11.848 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.589 15.626 9.738 1.00 10.26 C ATOM 944 CE1 TYR A 61 9.086 16.685 12.280 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.902 15.812 10.169 1.00 13.99 C ATOM 946 CZ TYR A 61 10.148 16.341 11.438 1.00 11.06 C ATOM 947 OH TYR A 61 11.447 16.514 11.869 1.00 14.61 O ATOM 0 H TYR A 61 4.238 17.500 11.346 1.00 11.12 H new ATOM 0 HA TYR A 61 6.373 17.773 9.288 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.506 15.351 10.891 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.085 15.119 9.253 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.948 16.766 12.493 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.393 15.218 8.758 1.00 10.26 H new ATOM 0 HE1 TYR A 61 9.282 17.092 13.261 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.726 15.548 9.523 1.00 13.99 H new ATOM 0 HH TYR A 61 11.456 16.636 12.841 1.00 14.61 H new ATOM 957 N THR A 62 4.904 16.666 7.511 1.00 12.22 N ATOM 958 CA THR A 62 3.969 16.433 6.404 1.00 14.26 C ATOM 959 C THR A 62 4.576 15.334 5.561 1.00 15.40 C ATOM 960 O THR A 62 5.692 15.442 5.092 1.00 16.24 O ATOM 961 CB THR A 62 3.819 17.700 5.576 1.00 15.07 C ATOM 962 OG1 THR A 62 5.051 17.995 4.933 1.00 18.36 O ATOM 963 CG2 THR A 62 3.428 18.855 6.494 1.00 11.61 C ATOM 0 H THR A 62 5.887 16.550 7.265 1.00 12.22 H new ATOM 0 HA THR A 62 2.981 16.154 6.769 1.00 14.26 H new ATOM 0 HB THR A 62 3.046 17.557 4.821 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.954 18.810 4.398 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.319 19.766 5.906 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.483 18.625 6.986 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.203 19.000 7.247 1.00 11.61 H new ATOM 971 N VAL A 63 3.879 14.266 5.386 1.00 14.65 N ATOM 972 CA VAL A 63 4.460 13.164 4.594 1.00 15.17 C ATOM 973 C VAL A 63 4.891 13.713 3.239 1.00 14.24 C ATOM 974 O VAL A 63 4.550 14.820 2.870 1.00 19.13 O ATOM 975 CB VAL A 63 3.444 12.044 4.426 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.191 10.747 4.134 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.638 11.886 5.721 1.00 18.64 C ATOM 0 H VAL A 63 2.940 14.104 5.751 1.00 14.65 H new ATOM 0 HA VAL A 63 5.327 12.751 5.110 1.00 15.17 H new ATOM 0 HB VAL A 63 2.765 12.278 3.606 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.475 9.934 4.011 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.772 10.860 3.219 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.861 10.518 4.963 1.00 14.85 H new ATOM 0 HG21 VAL A 63 1.910 11.084 5.601 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.313 11.644 6.542 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.118 12.818 5.942 1.00 18.64 H new ATOM 987 N HIS A 64 5.650 12.963 2.503 1.00 13.31 N ATOM 988 CA HIS A 64 6.117 13.460 1.181 1.00 10.78 C ATOM 989 C HIS A 64 5.844 12.401 0.112 1.00 14.19 C ATOM 990 O HIS A 64 6.243 11.257 0.243 1.00 11.59 O ATOM 991 CB HIS A 64 7.620 13.746 1.248 1.00 11.86 C ATOM 992 CG HIS A 64 7.982 14.793 0.229 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.338 14.886 -0.995 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.925 15.791 0.231 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.897 15.899 -1.674 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.871 16.488 -0.973 1.00 20.65 N ATOM 0 H HIS A 64 5.969 12.028 2.756 1.00 13.31 H new ATOM 0 HA HIS A 64 5.584 14.376 0.926 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.891 14.088 2.247 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.183 12.832 1.060 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.605 16.003 1.043 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.597 16.202 -2.666 1.00 19.32 H new ATOM 0 HE2 HIS A 64 9.450 17.278 -1.259 1.00 20.65 H new ATOM 1004 N LEU A 65 5.170 12.772 -0.948 1.00 12.93 N ATOM 1005 CA LEU A 65 4.875 11.791 -2.025 1.00 14.44 C ATOM 1006 C LEU A 65 6.147 11.485 -2.818 1.00 12.66 C ATOM 1007 O LEU A 65 6.129 10.709 -3.751 1.00 10.20 O ATOM 1008 CB LEU A 65 3.802 12.356 -2.960 1.00 14.94 C ATOM 1009 CG LEU A 65 4.427 13.349 -3.918 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.464 12.739 -5.318 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.604 14.634 -3.938 1.00 19.03 C ATOM 0 H LEU A 65 4.813 13.714 -1.110 1.00 12.93 H new ATOM 0 HA LEU A 65 4.509 10.868 -1.575 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.330 11.547 -3.517 1.00 14.94 H new ATOM 0 HB3 LEU A 65 3.019 12.842 -2.378 1.00 14.94 H new ATOM 0 HG LEU A 65 5.441 13.582 -3.593 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.913 13.449 -6.013 1.00 15.75 H new ATOM 0 HD12 LEU A 65 5.056 11.824 -5.301 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.449 12.508 -5.641 1.00 15.75 H new ATOM 0 HD21 LEU A 65 4.057 15.346 -4.628 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.588 14.410 -4.263 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.578 15.065 -2.937 1.00 19.03 H new ATOM 1023 N SER A 66 7.261 12.064 -2.448 1.00 13.51 N ATOM 1024 CA SER A 66 8.511 11.761 -3.185 1.00 10.39 C ATOM 1025 C SER A 66 8.726 10.251 -3.117 1.00 8.56 C ATOM 1026 O SER A 66 9.458 9.671 -3.894 1.00 11.70 O ATOM 1027 CB SER A 66 9.689 12.481 -2.526 1.00 12.88 C ATOM 1028 OG SER A 66 10.879 11.736 -2.748 1.00 14.72 O ATOM 0 H SER A 66 7.353 12.725 -1.676 1.00 13.51 H new ATOM 0 HA SER A 66 8.439 12.095 -4.220 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.793 13.485 -2.938 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.510 12.592 -1.457 1.00 12.88 H new ATOM 0 HG SER A 66 11.636 12.196 -2.328 1.00 14.72 H new ATOM 1034 N SER A 67 8.077 9.619 -2.175 1.00 7.98 N ATOM 1035 CA SER A 67 8.210 8.148 -2.013 1.00 8.20 C ATOM 1036 C SER A 67 7.073 7.430 -2.749 1.00 11.02 C ATOM 1037 O SER A 67 7.193 6.279 -3.120 1.00 11.45 O ATOM 1038 CB SER A 67 8.133 7.804 -0.530 1.00 8.01 C ATOM 1039 OG SER A 67 9.274 8.330 0.135 1.00 11.22 O ATOM 0 H SER A 67 7.454 10.068 -1.504 1.00 7.98 H new ATOM 0 HA SER A 67 9.165 7.827 -2.429 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.222 8.217 -0.096 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.087 6.723 -0.398 1.00 8.01 H new ATOM 0 HG SER A 67 9.488 7.770 0.911 1.00 11.22 H new ATOM 1045 N PHE A 68 5.962 8.090 -2.943 1.00 10.09 N ATOM 1046 CA PHE A 68 4.812 7.436 -3.629 1.00 11.79 C ATOM 1047 C PHE A 68 5.219 7.050 -5.051 1.00 12.69 C ATOM 1048 O PHE A 68 6.156 7.586 -5.609 1.00 14.25 O ATOM 1049 CB PHE A 68 3.623 8.409 -3.682 1.00 10.08 C ATOM 1050 CG PHE A 68 3.350 8.989 -2.309 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.036 8.520 -1.176 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.427 10.034 -2.178 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.799 9.100 0.075 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.189 10.609 -0.926 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.877 10.144 0.198 1.00 11.87 C ATOM 0 H PHE A 68 5.802 9.055 -2.655 1.00 10.09 H new ATOM 0 HA PHE A 68 4.523 6.541 -3.078 1.00 11.79 H new ATOM 0 HB2 PHE A 68 3.834 9.213 -4.387 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.737 7.890 -4.047 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.746 7.712 -1.271 1.00 12.12 H new ATOM 0 HD2 PHE A 68 1.898 10.397 -3.047 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.328 8.741 0.946 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.474 11.412 -0.828 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.696 10.592 1.164 1.00 11.87 H new ATOM 1065 N LYS A 69 4.520 6.122 -5.640 1.00 12.51 N ATOM 1066 CA LYS A 69 4.859 5.695 -7.027 1.00 15.38 C ATOM 1067 C LYS A 69 3.607 5.144 -7.709 1.00 15.02 C ATOM 1068 O LYS A 69 2.556 5.037 -7.109 1.00 15.36 O ATOM 1069 CB LYS A 69 5.935 4.607 -6.981 1.00 16.04 C ATOM 1070 CG LYS A 69 5.561 3.561 -5.928 1.00 20.35 C ATOM 1071 CD LYS A 69 6.196 2.217 -6.293 1.00 21.35 C ATOM 1072 CE LYS A 69 5.400 1.081 -5.647 1.00 30.24 C ATOM 1073 NZ LYS A 69 5.083 0.049 -6.675 1.00 32.70 N ATOM 0 H LYS A 69 3.726 5.639 -5.220 1.00 12.51 H new ATOM 0 HA LYS A 69 5.234 6.551 -7.588 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.032 4.135 -7.959 1.00 16.04 H new ATOM 0 HB3 LYS A 69 6.903 5.048 -6.743 1.00 16.04 H new ATOM 0 HG2 LYS A 69 5.904 3.882 -4.944 1.00 20.35 H new ATOM 0 HG3 LYS A 69 4.477 3.459 -5.870 1.00 20.35 H new ATOM 0 HD2 LYS A 69 6.212 2.093 -7.376 1.00 21.35 H new ATOM 0 HD3 LYS A 69 7.231 2.188 -5.953 1.00 21.35 H new ATOM 0 HE2 LYS A 69 5.975 0.636 -4.835 1.00 30.24 H new ATOM 0 HE3 LYS A 69 4.480 1.470 -5.211 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 4.542 -0.723 -6.236 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 4.519 0.479 -7.436 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 5.967 -0.329 -7.071 1.00 32.70 H new ATOM 1087 N VAL A 70 3.710 4.793 -8.960 1.00 13.65 N ATOM 1088 CA VAL A 70 2.524 4.248 -9.681 1.00 13.49 C ATOM 1089 C VAL A 70 2.773 2.780 -10.031 1.00 11.85 C ATOM 1090 O VAL A 70 3.740 2.442 -10.685 1.00 12.13 O ATOM 1091 CB VAL A 70 2.271 5.038 -10.969 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.770 5.295 -11.120 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.015 6.378 -10.929 1.00 15.63 C ATOM 0 H VAL A 70 4.563 4.859 -9.515 1.00 13.65 H new ATOM 0 HA VAL A 70 1.650 4.335 -9.035 1.00 13.49 H new ATOM 0 HB VAL A 70 2.636 4.457 -11.816 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.587 5.857 -12.036 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.241 4.343 -11.167 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.411 5.868 -10.265 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.825 6.927 -11.851 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.664 6.964 -10.079 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.085 6.197 -10.828 1.00 15.63 H new ATOM 1103 N GLY A 71 1.907 1.903 -9.600 1.00 11.15 N ATOM 1104 CA GLY A 71 2.094 0.457 -9.907 1.00 11.07 C ATOM 1105 C GLY A 71 0.964 -0.349 -9.263 1.00 12.15 C ATOM 1106 O GLY A 71 -0.065 0.187 -8.901 1.00 12.70 O ATOM 0 H GLY A 71 1.078 2.126 -9.049 1.00 11.15 H new ATOM 0 HA2 GLY A 71 2.098 0.300 -10.986 1.00 11.07 H new ATOM 0 HA3 GLY A 71 3.059 0.116 -9.532 1.00 11.07 H new ATOM 1110 N GLN A 72 1.145 -1.634 -9.116 1.00 15.78 N ATOM 1111 CA GLN A 72 0.078 -2.467 -8.495 1.00 19.42 C ATOM 1112 C GLN A 72 -1.203 -2.348 -9.323 1.00 16.97 C ATOM 1113 O GLN A 72 -2.160 -1.720 -8.916 1.00 20.46 O ATOM 1114 CB GLN A 72 -0.185 -1.978 -7.068 1.00 22.64 C ATOM 1115 CG GLN A 72 -0.298 -3.178 -6.127 1.00 25.29 C ATOM 1116 CD GLN A 72 -1.335 -4.159 -6.673 1.00 26.29 C ATOM 1117 OE1 GLN A 72 -2.487 -3.812 -6.842 1.00 26.22 O ATOM 1118 NE2 GLN A 72 -0.973 -5.380 -6.959 1.00 25.15 N ATOM 0 H GLN A 72 1.984 -2.141 -9.399 1.00 15.78 H new ATOM 0 HA GLN A 72 0.397 -3.509 -8.466 1.00 19.42 H new ATOM 0 HB2 GLN A 72 0.623 -1.323 -6.743 1.00 22.64 H new ATOM 0 HB3 GLN A 72 -1.103 -1.391 -7.037 1.00 22.64 H new ATOM 0 HG2 GLN A 72 0.669 -3.671 -6.032 1.00 25.29 H new ATOM 0 HG3 GLN A 72 -0.586 -2.846 -5.130 1.00 25.29 H new ATOM 0 HE21 GLN A 72 -0.006 -5.672 -6.817 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -1.657 -6.042 -7.324 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.226 -2.943 -10.484 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.445 -2.858 -11.339 1.00 14.60 C ATOM 1129 C PHE A 73 -2.588 -1.434 -11.879 1.00 15.63 C ATOM 1130 O PHE A 73 -3.573 -1.091 -12.502 1.00 17.80 O ATOM 1131 CB PHE A 73 -3.677 -3.211 -10.505 1.00 12.63 C ATOM 1132 CG PHE A 73 -4.289 -4.485 -11.030 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -5.189 -4.439 -12.100 1.00 19.79 C ATOM 1134 CD2 PHE A 73 -3.960 -5.714 -10.445 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -5.760 -5.621 -12.587 1.00 18.68 C ATOM 1136 CE2 PHE A 73 -4.531 -6.897 -10.931 1.00 20.44 C ATOM 1137 CZ PHE A 73 -5.431 -6.850 -12.002 1.00 17.88 C ATOM 0 H PHE A 73 -0.456 -3.483 -10.877 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.356 -3.557 -12.171 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -3.398 -3.333 -9.458 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -4.404 -2.400 -10.549 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -5.444 -3.491 -12.551 1.00 19.79 H new ATOM 0 HD2 PHE A 73 -3.266 -5.750 -9.619 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -6.454 -5.585 -13.414 1.00 18.68 H new ATOM 0 HE2 PHE A 73 -4.277 -7.845 -10.480 1.00 20.44 H new ATOM 0 HZ PHE A 73 -5.872 -7.762 -12.377 1.00 17.88 H new ATOM 1147 N GLY A 74 -1.612 -0.602 -11.642 1.00 13.82 N ATOM 1148 CA GLY A 74 -1.687 0.801 -12.138 1.00 13.44 C ATOM 1149 C GLY A 74 -2.396 1.672 -11.100 1.00 10.42 C ATOM 1150 O GLY A 74 -3.256 2.467 -11.424 1.00 13.62 O ATOM 0 H GLY A 74 -0.764 -0.834 -11.125 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -0.685 1.185 -12.327 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -2.225 0.835 -13.085 1.00 13.44 H new ATOM 1154 N SER A 75 -2.043 1.529 -9.851 1.00 12.64 N ATOM 1155 CA SER A 75 -2.698 2.347 -8.793 1.00 12.47 C ATOM 1156 C SER A 75 -1.627 3.016 -7.927 1.00 12.47 C ATOM 1157 O SER A 75 -0.615 2.424 -7.609 1.00 11.32 O ATOM 1158 CB SER A 75 -3.568 1.444 -7.919 1.00 11.21 C ATOM 1159 OG SER A 75 -4.919 1.879 -7.992 1.00 18.27 O ATOM 0 H SER A 75 -1.329 0.881 -9.519 1.00 12.64 H new ATOM 0 HA SER A 75 -3.319 3.113 -9.258 1.00 12.47 H new ATOM 0 HB2 SER A 75 -3.489 0.409 -8.253 1.00 11.21 H new ATOM 0 HB3 SER A 75 -3.220 1.473 -6.886 1.00 11.21 H new ATOM 0 HG SER A 75 -5.480 1.301 -7.434 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.844 4.245 -7.543 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.840 4.951 -6.696 1.00 12.18 C ATOM 1167 C LEU A 76 -0.347 4.005 -5.599 1.00 12.07 C ATOM 1168 O LEU A 76 -1.006 3.044 -5.257 1.00 9.82 O ATOM 1169 CB LEU A 76 -1.490 6.177 -6.054 1.00 11.99 C ATOM 1170 CG LEU A 76 -0.601 7.401 -6.276 1.00 8.87 C ATOM 1171 CD1 LEU A 76 -1.161 8.235 -7.430 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.574 8.245 -4.999 1.00 7.80 C ATOM 0 H LEU A 76 -2.673 4.791 -7.779 1.00 12.43 H new ATOM 0 HA LEU A 76 0.002 5.265 -7.313 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -2.476 6.347 -6.486 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.635 6.008 -4.987 1.00 11.99 H new ATOM 0 HG LEU A 76 0.411 7.079 -6.521 1.00 8.87 H new ATOM 0 HD11 LEU A 76 -0.528 9.108 -7.589 1.00 9.28 H new ATOM 0 HD12 LEU A 76 -1.182 7.632 -8.338 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -2.173 8.560 -7.187 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.059 9.119 -5.154 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -1.586 8.569 -4.755 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.176 7.649 -4.178 1.00 7.80 H new ATOM 1184 N MET A 77 0.806 4.268 -5.043 1.00 14.08 N ATOM 1185 CA MET A 77 1.331 3.377 -3.968 1.00 14.12 C ATOM 1186 C MET A 77 2.485 4.062 -3.234 1.00 11.37 C ATOM 1187 O MET A 77 3.590 4.150 -3.731 1.00 11.44 O ATOM 1188 CB MET A 77 1.830 2.070 -4.582 1.00 16.48 C ATOM 1189 CG MET A 77 0.648 1.131 -4.818 1.00 24.75 C ATOM 1190 SD MET A 77 1.130 -0.565 -4.407 1.00 35.11 S ATOM 1191 CE MET A 77 0.192 -0.702 -2.865 1.00 33.86 C ATOM 0 H MET A 77 1.404 5.058 -5.286 1.00 14.08 H new ATOM 0 HA MET A 77 0.528 3.168 -3.261 1.00 14.12 H new ATOM 0 HB2 MET A 77 2.342 2.271 -5.523 1.00 16.48 H new ATOM 0 HB3 MET A 77 2.555 1.599 -3.919 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.201 1.437 -4.206 1.00 24.75 H new ATOM 0 HG3 MET A 77 0.328 1.187 -5.858 1.00 24.75 H new ATOM 0 HE1 MET A 77 0.347 -1.690 -2.431 1.00 33.86 H new ATOM 0 HE2 MET A 77 0.532 0.060 -2.163 1.00 33.86 H new ATOM 0 HE3 MET A 77 -0.869 -0.558 -3.070 1.00 33.86 H new ATOM 1201 N ILE A 78 2.228 4.537 -2.050 1.00 11.78 N ATOM 1202 CA ILE A 78 3.295 5.213 -1.252 1.00 11.62 C ATOM 1203 C ILE A 78 4.616 4.443 -1.395 1.00 11.45 C ATOM 1204 O ILE A 78 5.589 4.941 -1.924 1.00 12.59 O ATOM 1205 CB ILE A 78 2.853 5.264 0.223 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.095 6.570 0.474 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.063 5.196 1.157 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.829 6.283 1.286 1.00 13.67 C ATOM 0 H ILE A 78 1.317 4.487 -1.593 1.00 11.78 H new ATOM 0 HA ILE A 78 3.450 6.229 -1.616 1.00 11.62 H new ATOM 0 HB ILE A 78 2.210 4.408 0.425 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.731 7.274 1.011 1.00 7.09 H new ATOM 0 HG13 ILE A 78 1.832 7.037 -0.475 1.00 7.09 H new ATOM 0 HG21 ILE A 78 3.726 5.234 2.193 1.00 10.70 H new ATOM 0 HG22 ILE A 78 4.604 4.265 0.985 1.00 10.70 H new ATOM 0 HG23 ILE A 78 4.723 6.041 0.959 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.291 7.215 1.463 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.190 5.595 0.733 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.103 5.835 2.241 1.00 13.67 H new ATOM 1220 N ASP A 79 4.634 3.236 -0.915 1.00 10.05 N ATOM 1221 CA ASP A 79 5.859 2.380 -0.988 1.00 14.79 C ATOM 1222 C ASP A 79 6.783 2.686 0.194 1.00 15.20 C ATOM 1223 O ASP A 79 7.275 1.798 0.861 1.00 18.10 O ATOM 1224 CB ASP A 79 6.590 2.644 -2.299 1.00 12.21 C ATOM 1225 CG ASP A 79 7.500 1.459 -2.628 1.00 17.52 C ATOM 1226 OD1 ASP A 79 6.995 0.351 -2.696 1.00 24.06 O ATOM 1227 OD2 ASP A 79 8.686 1.680 -2.806 1.00 21.87 O ATOM 0 H ASP A 79 3.835 2.791 -0.463 1.00 10.05 H new ATOM 0 HA ASP A 79 5.566 1.331 -0.944 1.00 14.79 H new ATOM 0 HB2 ASP A 79 5.871 2.797 -3.103 1.00 12.21 H new ATOM 0 HB3 ASP A 79 7.180 3.557 -2.221 1.00 12.21 H new ATOM 1232 N ARG A 80 7.009 3.936 0.458 1.00 17.08 N ATOM 1233 CA ARG A 80 7.890 4.326 1.602 1.00 17.14 C ATOM 1234 C ARG A 80 7.791 5.835 1.796 1.00 14.98 C ATOM 1235 O ARG A 80 8.731 6.574 1.584 1.00 16.47 O ATOM 1236 CB ARG A 80 9.338 3.933 1.311 1.00 17.78 C ATOM 1237 CG ARG A 80 10.204 4.253 2.532 1.00 22.76 C ATOM 1238 CD ARG A 80 10.549 2.959 3.270 1.00 28.43 C ATOM 1239 NE ARG A 80 9.466 2.634 4.240 1.00 33.10 N ATOM 1240 CZ ARG A 80 9.400 1.444 4.775 1.00 30.84 C ATOM 1241 NH1 ARG A 80 10.288 0.536 4.470 1.00 33.12 N ATOM 1242 NH2 ARG A 80 8.447 1.162 5.620 1.00 35.04 N ATOM 0 H ARG A 80 6.621 4.717 -0.071 1.00 17.08 H new ATOM 0 HA ARG A 80 7.569 3.810 2.507 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.398 2.870 1.076 1.00 17.78 H new ATOM 0 HB3 ARG A 80 9.705 4.473 0.439 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.117 4.760 2.220 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.674 4.933 3.198 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.670 2.143 2.557 1.00 28.43 H new ATOM 0 HD3 ARG A 80 11.499 3.069 3.793 1.00 28.43 H new ATOM 0 HE ARG A 80 8.775 3.342 4.487 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.036 0.755 3.812 1.00 33.12 H new ATOM 0 HH12 ARG A 80 10.233 -0.392 4.890 1.00 33.12 H new ATOM 0 HH21 ARG A 80 7.754 1.870 5.862 1.00 35.04 H new ATOM 0 HH22 ARG A 80 8.395 0.233 6.038 1.00 35.04 H new ATOM 1256 N LEU A 81 6.639 6.275 2.190 1.00 11.03 N ATOM 1257 CA LEU A 81 6.380 7.723 2.398 1.00 11.27 C ATOM 1258 C LEU A 81 7.580 8.427 3.044 1.00 15.61 C ATOM 1259 O LEU A 81 8.054 8.044 4.095 1.00 18.56 O ATOM 1260 CB LEU A 81 5.137 7.867 3.272 1.00 13.62 C ATOM 1261 CG LEU A 81 5.516 7.756 4.744 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.254 7.899 5.598 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.153 6.384 4.997 1.00 18.72 C ATOM 0 H LEU A 81 5.838 5.674 2.384 1.00 11.03 H new ATOM 0 HA LEU A 81 6.219 8.200 1.431 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.659 8.828 3.083 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.411 7.095 3.016 1.00 13.62 H new ATOM 0 HG LEU A 81 6.225 8.541 5.006 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.518 7.821 6.653 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.795 8.870 5.410 1.00 11.44 H new ATOM 0 HD13 LEU A 81 3.549 7.109 5.341 1.00 11.44 H new ATOM 0 HD21 LEU A 81 6.427 6.298 6.049 1.00 18.72 H new ATOM 0 HD22 LEU A 81 5.440 5.599 4.742 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.045 6.278 4.380 1.00 18.72 H new ATOM 1275 N ARG A 82 8.054 9.473 2.422 1.00 13.37 N ATOM 1276 CA ARG A 82 9.203 10.233 2.991 1.00 12.72 C ATOM 1277 C ARG A 82 8.651 11.371 3.854 1.00 13.33 C ATOM 1278 O ARG A 82 8.120 12.341 3.352 1.00 13.27 O ATOM 1279 CB ARG A 82 10.048 10.812 1.854 1.00 13.85 C ATOM 1280 CG ARG A 82 11.531 10.575 2.145 1.00 16.22 C ATOM 1281 CD ARG A 82 12.380 11.373 1.154 1.00 16.62 C ATOM 1282 NE ARG A 82 13.623 11.843 1.828 1.00 15.85 N ATOM 1283 CZ ARG A 82 14.629 12.280 1.119 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.550 12.310 -0.185 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.716 12.690 1.714 1.00 16.89 N ATOM 0 H ARG A 82 7.692 9.835 1.540 1.00 13.37 H new ATOM 0 HA ARG A 82 9.827 9.574 3.595 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.773 10.344 0.909 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.853 11.879 1.750 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.765 10.877 3.166 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.763 9.513 2.066 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.633 10.753 0.294 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.814 12.225 0.778 1.00 16.62 H new ATOM 0 HE ARG A 82 13.688 11.823 2.846 1.00 15.85 H new ATOM 0 HH11 ARG A 82 13.701 11.992 -0.652 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.337 12.652 -0.736 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.779 12.669 2.732 1.00 16.89 H new ATOM 0 HH22 ARG A 82 16.502 13.031 1.161 1.00 16.89 H new ATOM 1299 N LEU A 83 8.748 11.246 5.148 1.00 13.53 N ATOM 1300 CA LEU A 83 8.202 12.308 6.045 1.00 13.86 C ATOM 1301 C LEU A 83 9.076 13.562 6.007 1.00 13.02 C ATOM 1302 O LEU A 83 10.266 13.507 5.771 1.00 14.40 O ATOM 1303 CB LEU A 83 8.152 11.796 7.484 1.00 9.93 C ATOM 1304 CG LEU A 83 6.731 11.917 8.031 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.743 11.616 9.531 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.224 13.341 7.801 1.00 10.58 C ATOM 0 H LEU A 83 9.181 10.455 5.625 1.00 13.53 H new ATOM 0 HA LEU A 83 7.201 12.558 5.695 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.478 10.756 7.521 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.840 12.368 8.107 1.00 9.93 H new ATOM 0 HG LEU A 83 6.076 11.210 7.522 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.731 11.701 9.927 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.114 10.604 9.696 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.393 12.328 10.040 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.210 13.433 8.190 1.00 10.58 H new ATOM 0 HD22 LEU A 83 6.876 14.047 8.316 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.225 13.559 6.733 1.00 10.58 H new ATOM 1318 N VAL A 84 8.476 14.694 6.249 1.00 11.81 N ATOM 1319 CA VAL A 84 9.223 15.972 6.253 1.00 12.86 C ATOM 1320 C VAL A 84 8.474 16.956 7.159 1.00 14.98 C ATOM 1321 O VAL A 84 7.286 16.817 7.354 1.00 13.59 O ATOM 1322 CB VAL A 84 9.262 16.516 4.829 1.00 14.61 C ATOM 1323 CG1 VAL A 84 10.022 15.541 3.927 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.832 16.684 4.311 1.00 17.34 C ATOM 0 H VAL A 84 7.480 14.783 6.448 1.00 11.81 H new ATOM 0 HA VAL A 84 10.241 15.830 6.616 1.00 12.86 H new ATOM 0 HB VAL A 84 9.768 17.481 4.823 1.00 14.61 H new ATOM 0 HG11 VAL A 84 10.049 15.932 2.910 1.00 17.65 H new ATOM 0 HG12 VAL A 84 11.040 15.422 4.297 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.519 14.574 3.931 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.857 17.073 3.293 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.327 15.718 4.318 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.292 17.381 4.952 1.00 17.34 H new ATOM 1334 N PRO A 85 9.173 17.933 7.670 1.00 18.65 N ATOM 1335 CA PRO A 85 8.569 18.961 8.536 1.00 22.41 C ATOM 1336 C PRO A 85 7.509 19.755 7.757 1.00 25.70 C ATOM 1337 O PRO A 85 7.647 19.993 6.573 1.00 22.08 O ATOM 1338 CB PRO A 85 9.758 19.820 8.970 1.00 21.19 C ATOM 1339 CG PRO A 85 10.867 19.547 7.943 1.00 18.95 C ATOM 1340 CD PRO A 85 10.609 18.123 7.424 1.00 20.63 C ATOM 0 HA PRO A 85 8.040 18.556 9.399 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.492 20.877 8.987 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.084 19.557 9.977 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.835 20.272 7.130 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.853 19.625 8.401 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.852 18.030 6.366 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.210 17.385 7.956 1.00 20.63 H new ATOM 1348 N ALA A 86 6.442 20.146 8.406 1.00 31.74 N ATOM 1349 CA ALA A 86 5.362 20.900 7.700 1.00 39.94 C ATOM 1350 C ALA A 86 5.809 22.345 7.476 1.00 46.96 C ATOM 1351 O ALA A 86 6.039 23.085 8.411 1.00 49.29 O ATOM 1352 CB ALA A 86 4.090 20.884 8.555 1.00 39.70 C ATOM 0 H ALA A 86 6.272 19.975 9.397 1.00 31.74 H new ATOM 0 HA ALA A 86 5.160 20.431 6.737 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.300 21.433 8.043 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.771 19.854 8.714 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.293 21.353 9.518 1.00 39.70 H new ATOM 1358 N LYS A 87 5.935 22.754 6.243 1.00 51.78 N ATOM 1359 CA LYS A 87 6.366 24.152 5.965 1.00 55.12 C ATOM 1360 C LYS A 87 5.133 25.052 5.854 1.00 55.82 C ATOM 1361 O LYS A 87 4.056 24.523 5.635 1.00 58.05 O ATOM 1362 CB LYS A 87 7.150 24.193 4.651 1.00 52.96 C ATOM 1363 CG LYS A 87 6.191 24.003 3.476 1.00 55.49 C ATOM 1364 CD LYS A 87 6.774 22.979 2.500 1.00 56.64 C ATOM 1365 CE LYS A 87 6.123 21.616 2.740 1.00 58.91 C ATOM 1366 NZ LYS A 87 5.413 21.180 1.504 1.00 58.16 N ATOM 1367 OXT LYS A 87 5.287 26.255 5.991 1.00 57.66 O ATOM 0 H LYS A 87 5.758 22.181 5.418 1.00 51.78 H new ATOM 0 HA LYS A 87 7.002 24.505 6.777 1.00 55.12 H new ATOM 0 HB2 LYS A 87 7.672 25.145 4.557 1.00 52.96 H new ATOM 0 HB3 LYS A 87 7.909 23.411 4.644 1.00 52.96 H new ATOM 0 HG2 LYS A 87 5.220 23.665 3.837 1.00 55.49 H new ATOM 0 HG3 LYS A 87 6.029 24.954 2.968 1.00 55.49 H new ATOM 0 HD2 LYS A 87 6.601 23.301 1.473 1.00 56.64 H new ATOM 0 HD3 LYS A 87 7.853 22.907 2.634 1.00 56.64 H new ATOM 0 HE2 LYS A 87 6.881 20.882 3.015 1.00 58.91 H new ATOM 0 HE3 LYS A 87 5.422 21.677 3.572 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 4.970 20.253 1.667 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 4.680 21.876 1.261 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 6.093 21.106 0.721 1.00 58.16 H new ATOM 1382 N MET B 1 1.506 16.899 -1.711 1.00 42.32 N ATOM 1383 CA MET B 1 0.250 17.174 -2.466 1.00 40.89 C ATOM 1384 C MET B 1 0.022 16.063 -3.491 1.00 34.75 C ATOM 1385 O MET B 1 -1.062 15.528 -3.612 1.00 33.97 O ATOM 1386 CB MET B 1 0.374 18.525 -3.189 1.00 48.45 C ATOM 1387 CG MET B 1 -0.635 18.607 -4.344 1.00 56.13 C ATOM 1388 SD MET B 1 -1.581 20.145 -4.210 1.00 64.91 S ATOM 1389 CE MET B 1 -0.187 21.287 -4.384 1.00 63.43 C ATOM 0 H1 MET B 1 1.655 17.644 -1.001 1.00 42.32 H new ATOM 0 H2 MET B 1 1.430 15.978 -1.235 1.00 42.32 H new ATOM 0 H3 MET B 1 2.311 16.883 -2.370 1.00 42.32 H new ATOM 0 HA MET B 1 -0.592 17.209 -1.775 1.00 40.89 H new ATOM 0 HB2 MET B 1 0.198 19.339 -2.486 1.00 48.45 H new ATOM 0 HB3 MET B 1 1.387 18.648 -3.573 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.113 18.570 -5.300 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.308 17.750 -4.315 1.00 56.13 H new ATOM 0 HE1 MET B 1 -0.536 22.224 -4.818 1.00 63.43 H new ATOM 0 HE2 MET B 1 0.248 21.482 -3.404 1.00 63.43 H new ATOM 0 HE3 MET B 1 0.567 20.844 -5.035 1.00 63.43 H new ATOM 1401 N ILE B 2 1.029 15.730 -4.246 1.00 28.59 N ATOM 1402 CA ILE B 2 0.863 14.674 -5.280 1.00 24.58 C ATOM 1403 C ILE B 2 0.045 15.260 -6.428 1.00 19.29 C ATOM 1404 O ILE B 2 -1.132 14.993 -6.571 1.00 19.53 O ATOM 1405 CB ILE B 2 0.133 13.472 -4.691 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.684 13.159 -3.300 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.351 12.262 -5.598 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.406 12.497 -2.465 1.00 33.80 C ATOM 0 H ILE B 2 1.960 16.143 -4.192 1.00 28.59 H new ATOM 0 HA ILE B 2 1.839 14.344 -5.636 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.931 13.698 -4.615 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.549 12.500 -3.378 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.024 14.075 -2.816 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.168 11.398 -5.183 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.040 12.477 -6.592 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.417 12.046 -5.666 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.017 12.272 -1.472 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.257 13.172 -2.377 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -0.724 11.573 -2.948 1.00 33.80 H new ATOM 1420 N LYS B 3 0.659 16.080 -7.230 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.072 16.722 -8.356 1.00 16.66 C ATOM 1422 C LYS B 3 -0.436 15.693 -9.422 1.00 14.94 C ATOM 1423 O LYS B 3 0.198 14.666 -9.563 1.00 13.94 O ATOM 1424 CB LYS B 3 0.809 17.804 -8.982 1.00 16.94 C ATOM 1425 CG LYS B 3 0.460 19.165 -8.375 1.00 17.85 C ATOM 1426 CD LYS B 3 1.636 20.125 -8.563 1.00 19.63 C ATOM 1427 CE LYS B 3 1.137 21.436 -9.174 1.00 26.28 C ATOM 1428 NZ LYS B 3 1.842 22.582 -8.532 1.00 32.72 N ATOM 0 H LYS B 3 1.644 16.336 -7.154 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.990 17.163 -7.967 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.861 17.576 -8.809 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.662 17.827 -10.062 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.433 19.569 -8.852 1.00 17.85 H new ATOM 0 HG3 LYS B 3 0.233 19.055 -7.315 1.00 17.85 H new ATOM 0 HD2 LYS B 3 2.117 20.319 -7.604 1.00 19.63 H new ATOM 0 HD3 LYS B 3 2.387 19.673 -9.211 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.317 21.440 -10.249 1.00 26.28 H new ATOM 0 HE3 LYS B 3 0.061 21.530 -9.030 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 1.504 23.474 -8.946 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 1.649 22.580 -7.510 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 2.866 22.493 -8.691 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.457 15.979 -10.181 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.887 15.048 -11.255 1.00 12.99 C ATOM 1444 C VAL B 4 -2.745 15.827 -12.262 1.00 14.26 C ATOM 1445 O VAL B 4 -3.141 16.948 -12.017 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.672 13.860 -10.639 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.275 14.257 -9.291 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.796 13.399 -11.582 1.00 10.41 C ATOM 0 H VAL B 4 -2.016 16.828 -10.100 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.021 14.636 -11.774 1.00 12.99 H new ATOM 0 HB VAL B 4 -1.971 13.038 -10.493 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -3.822 13.411 -8.874 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -2.477 14.546 -8.607 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.956 15.097 -9.430 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -4.332 12.565 -11.129 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -4.487 14.224 -11.755 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -3.366 13.081 -12.532 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.019 15.244 -13.395 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.836 15.947 -14.427 1.00 10.51 C ATOM 1460 C GLU B 5 -4.731 14.943 -15.138 1.00 10.00 C ATOM 1461 O GLU B 5 -4.280 14.119 -15.904 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.909 16.607 -15.445 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.358 17.899 -14.850 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.226 18.428 -15.732 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -0.488 17.616 -16.265 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -1.116 19.636 -15.859 1.00 19.38 O ATOM 0 H GLU B 5 -2.711 14.306 -13.653 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.452 16.707 -13.946 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.092 15.933 -15.703 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.451 16.818 -16.367 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.151 18.643 -14.773 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.991 17.719 -13.840 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.003 15.012 -14.901 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.917 14.059 -15.589 1.00 10.60 C ATOM 1475 C ILE B 6 -7.008 14.473 -17.066 1.00 10.16 C ATOM 1476 O ILE B 6 -7.702 15.406 -17.420 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.301 14.069 -14.904 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.334 12.967 -13.840 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.410 13.801 -15.920 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.289 13.588 -12.444 1.00 13.81 C ATOM 0 H ILE B 6 -6.450 15.676 -14.270 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.537 13.039 -15.527 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.463 15.048 -14.454 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.238 12.369 -13.952 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.487 12.294 -13.975 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.376 13.813 -15.416 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.393 14.573 -16.689 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.253 12.826 -16.381 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.313 12.798 -11.693 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.372 14.167 -12.333 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.150 14.243 -12.309 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.293 13.790 -17.929 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.315 14.141 -19.374 1.00 11.59 C ATOM 1494 C LYS B 7 -7.759 14.373 -19.824 1.00 12.98 C ATOM 1495 O LYS B 7 -8.687 14.083 -19.095 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.695 12.986 -20.167 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.235 13.306 -20.523 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.528 13.975 -19.341 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.193 15.420 -19.701 1.00 19.19 C ATOM 1500 NZ LYS B 7 -4.084 16.346 -18.947 1.00 25.43 N ATOM 0 H LYS B 7 -5.694 13.001 -17.687 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.744 15.053 -19.548 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.741 12.068 -19.581 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.269 12.812 -21.077 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -3.712 12.389 -20.796 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.202 13.962 -21.393 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.167 13.948 -18.458 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.617 13.430 -19.092 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.150 15.631 -19.465 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.315 15.575 -20.773 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -3.516 17.108 -18.525 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -4.787 16.756 -19.595 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -4.573 15.821 -18.194 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.906 14.890 -21.018 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.229 15.173 -21.598 1.00 11.93 C ATOM 1516 C PRO B 8 -9.886 13.870 -22.046 1.00 10.20 C ATOM 1517 O PRO B 8 -11.093 13.763 -22.133 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.916 16.085 -22.787 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.435 15.828 -23.155 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.770 15.231 -21.900 1.00 13.61 C ATOM 0 HA PRO B 8 -9.924 15.638 -20.899 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.570 15.863 -23.630 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -9.076 17.131 -22.527 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.358 15.142 -23.998 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.943 16.754 -23.452 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.176 14.350 -22.144 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -6.098 15.947 -21.426 1.00 13.61 H new ATOM 1528 N SER B 9 -9.094 12.874 -22.314 1.00 10.65 N ATOM 1529 CA SER B 9 -9.657 11.565 -22.738 1.00 10.83 C ATOM 1530 C SER B 9 -9.832 10.672 -21.506 1.00 10.94 C ATOM 1531 O SER B 9 -10.258 9.538 -21.603 1.00 13.16 O ATOM 1532 CB SER B 9 -8.706 10.893 -23.729 1.00 13.01 C ATOM 1533 OG SER B 9 -9.046 11.294 -25.050 1.00 15.52 O ATOM 0 H SER B 9 -8.076 12.910 -22.258 1.00 10.65 H new ATOM 0 HA SER B 9 -10.623 11.720 -23.219 1.00 10.83 H new ATOM 0 HB2 SER B 9 -7.675 11.169 -23.506 1.00 13.01 H new ATOM 0 HB3 SER B 9 -8.772 9.809 -23.637 1.00 13.01 H new ATOM 0 HG SER B 9 -8.438 10.867 -25.688 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.508 11.178 -20.345 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.657 10.367 -19.107 1.00 11.55 C ATOM 1541 C GLN B 10 -10.624 11.074 -18.157 1.00 13.72 C ATOM 1542 O GLN B 10 -10.414 11.113 -16.962 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.301 10.216 -18.424 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.216 10.068 -19.486 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.305 8.678 -20.120 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -7.642 7.716 -19.458 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -7.014 8.531 -21.383 1.00 4.80 N ATOM 0 H GLN B 10 -9.146 12.121 -20.203 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.044 9.381 -19.364 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.097 11.085 -17.798 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.306 9.345 -17.769 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.334 10.836 -20.251 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.233 10.212 -19.038 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.731 9.338 -21.939 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.069 7.609 -21.815 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.672 11.651 -18.677 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.638 12.368 -17.795 1.00 18.95 C ATOM 1558 C ALA B 11 -13.937 11.567 -17.668 1.00 20.75 C ATOM 1559 O ALA B 11 -14.978 12.108 -17.355 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.946 13.742 -18.392 1.00 17.72 C ATOM 0 H ALA B 11 -11.902 11.658 -19.671 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.195 12.484 -16.806 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.652 14.268 -17.749 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.025 14.320 -18.469 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.381 13.619 -19.384 1.00 17.72 H new ATOM 1566 N GLN B 12 -13.891 10.284 -17.906 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.123 9.464 -17.797 1.00 25.43 C ATOM 1568 C GLN B 12 -14.757 8.095 -17.203 1.00 22.80 C ATOM 1569 O GLN B 12 -13.811 7.460 -17.626 1.00 20.93 O ATOM 1570 CB GLN B 12 -15.730 9.306 -19.198 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.429 7.955 -19.317 1.00 42.11 C ATOM 1572 CD GLN B 12 -17.463 8.006 -20.444 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -17.519 7.119 -21.273 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -18.291 9.013 -20.509 1.00 47.90 N ATOM 0 H GLN B 12 -13.050 9.771 -18.171 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.854 9.943 -17.146 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -16.441 10.110 -19.388 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -14.948 9.387 -19.953 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -15.697 7.173 -19.517 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -16.916 7.703 -18.375 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -18.244 9.757 -19.813 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -18.985 9.055 -21.255 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.497 7.633 -16.228 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.186 6.316 -15.620 1.00 20.51 C ATOM 1585 C PHE B 13 -15.908 5.212 -16.385 1.00 18.83 C ATOM 1586 O PHE B 13 -16.673 5.464 -17.294 1.00 18.83 O ATOM 1587 CB PHE B 13 -15.676 6.312 -14.179 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.134 6.709 -14.168 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.122 5.756 -14.430 1.00 15.55 C ATOM 1590 CD2 PHE B 13 -17.493 8.038 -13.907 1.00 20.50 C ATOM 1591 CE1 PHE B 13 -19.471 6.129 -14.429 1.00 14.07 C ATOM 1592 CE2 PHE B 13 -18.840 8.411 -13.905 1.00 20.75 C ATOM 1593 CZ PHE B 13 -19.828 7.458 -14.166 1.00 18.48 C ATOM 0 H PHE B 13 -16.303 8.115 -15.830 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.110 6.144 -15.658 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -15.549 5.323 -13.738 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.090 7.007 -13.577 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -17.845 4.732 -14.633 1.00 15.55 H new ATOM 0 HD2 PHE B 13 -16.729 8.774 -13.707 1.00 20.50 H new ATOM 0 HE1 PHE B 13 -20.236 5.393 -14.631 1.00 14.07 H new ATOM 0 HE2 PHE B 13 -19.117 9.435 -13.702 1.00 20.75 H new ATOM 0 HZ PHE B 13 -20.869 7.746 -14.165 1.00 18.48 H new ATOM 1603 N THR B 14 -15.681 3.988 -16.007 1.00 14.89 N ATOM 1604 CA THR B 14 -16.363 2.860 -16.688 1.00 13.37 C ATOM 1605 C THR B 14 -16.974 1.946 -15.630 1.00 11.97 C ATOM 1606 O THR B 14 -16.511 1.885 -14.507 1.00 10.76 O ATOM 1607 CB THR B 14 -15.356 2.070 -17.526 1.00 13.68 C ATOM 1608 OG1 THR B 14 -14.985 2.832 -18.666 1.00 13.48 O ATOM 1609 CG2 THR B 14 -15.987 0.750 -17.973 1.00 9.24 C ATOM 0 H THR B 14 -15.049 3.720 -15.252 1.00 14.89 H new ATOM 0 HA THR B 14 -17.143 3.246 -17.345 1.00 13.37 H new ATOM 0 HB THR B 14 -14.469 1.862 -16.927 1.00 13.68 H new ATOM 0 HG1 THR B 14 -14.339 2.326 -19.201 1.00 13.48 H new ATOM 0 HG21 THR B 14 -15.269 0.187 -18.570 1.00 9.24 H new ATOM 0 HG22 THR B 14 -16.267 0.166 -17.097 1.00 9.24 H new ATOM 0 HG23 THR B 14 -16.875 0.955 -18.571 1.00 9.24 H new ATOM 1617 N THR B 15 -18.008 1.238 -15.972 1.00 13.20 N ATOM 1618 CA THR B 15 -18.644 0.334 -14.979 1.00 12.54 C ATOM 1619 C THR B 15 -18.263 -1.113 -15.289 1.00 14.34 C ATOM 1620 O THR B 15 -18.633 -1.659 -16.309 1.00 17.35 O ATOM 1621 CB THR B 15 -20.163 0.487 -15.052 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.485 1.670 -15.770 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.732 0.575 -13.637 1.00 8.30 C ATOM 0 H THR B 15 -18.441 1.245 -16.895 1.00 13.20 H new ATOM 0 HA THR B 15 -18.299 0.594 -13.978 1.00 12.54 H new ATOM 0 HB THR B 15 -20.593 -0.374 -15.563 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.459 1.768 -15.819 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.815 0.684 -13.687 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.484 -0.333 -13.088 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.304 1.437 -13.126 1.00 8.30 H new ATOM 1816 N LEU B 28 -18.524 -0.970 -9.338 1.00 18.57 N ATOM 1817 CA LEU B 28 -18.173 0.459 -9.101 1.00 16.31 C ATOM 1818 C LEU B 28 -17.633 1.087 -10.390 1.00 14.21 C ATOM 1819 O LEU B 28 -17.223 0.400 -11.304 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.108 0.543 -8.005 1.00 16.48 C ATOM 1821 CG LEU B 28 -17.495 1.626 -6.998 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -17.503 1.032 -5.588 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -16.480 2.771 -7.064 1.00 22.01 C ATOM 0 HA LEU B 28 -19.065 1.001 -8.789 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.013 -0.419 -7.501 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.137 0.770 -8.444 1.00 16.48 H new ATOM 0 HG LEU B 28 -18.488 2.007 -7.238 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -17.779 1.804 -4.870 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.225 0.217 -5.541 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -16.510 0.651 -5.348 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -16.756 3.543 -6.346 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -15.487 2.391 -6.825 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -16.474 3.195 -8.068 1.00 22.01 H new ATOM 1835 N ASN B 29 -17.621 2.391 -10.460 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.099 3.077 -11.680 1.00 9.77 C ATOM 1837 C ASN B 29 -15.659 3.522 -11.408 1.00 7.94 C ATOM 1838 O ASN B 29 -15.376 4.132 -10.401 1.00 10.52 O ATOM 1839 CB ASN B 29 -17.962 4.305 -12.029 1.00 14.73 C ATOM 1840 CG ASN B 29 -18.899 4.671 -10.869 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -19.533 3.815 -10.285 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.028 5.923 -10.522 1.00 12.89 N ATOM 0 H ASN B 29 -17.951 3.014 -9.723 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.133 2.387 -12.523 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.317 5.153 -12.261 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.550 4.098 -12.923 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -19.659 6.179 -9.763 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -18.497 6.645 -11.010 1.00 12.89 H new ATOM 1849 N GLU B 30 -14.744 3.213 -12.288 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.323 3.617 -12.058 1.00 13.16 C ATOM 1851 C GLU B 30 -12.887 4.604 -13.147 1.00 12.26 C ATOM 1852 O GLU B 30 -13.399 4.590 -14.248 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.431 2.374 -12.110 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.752 1.466 -10.920 1.00 27.13 C ATOM 1855 CD GLU B 30 -13.317 0.137 -11.428 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -12.580 -0.590 -12.073 1.00 40.03 O ATOM 1857 OE2 GLU B 30 -14.477 -0.132 -11.162 1.00 38.01 O ATOM 0 H GLU B 30 -14.916 2.701 -13.153 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.232 4.093 -11.082 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -12.591 1.837 -13.045 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.381 2.665 -12.086 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -11.852 1.289 -10.331 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.473 1.952 -10.262 1.00 27.13 H new ATOM 1864 N GLN B 31 -11.945 5.463 -12.849 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.484 6.447 -13.874 1.00 9.46 C ATOM 1866 C GLN B 31 -9.953 6.518 -13.879 1.00 10.09 C ATOM 1867 O GLN B 31 -9.293 5.951 -13.031 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.052 7.832 -13.548 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.393 8.563 -14.847 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.389 9.693 -15.063 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.234 9.448 -15.349 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.781 10.931 -14.934 1.00 12.39 N ATOM 0 H GLN B 31 -11.477 5.525 -11.945 1.00 10.34 H new ATOM 0 HA GLN B 31 -11.834 6.127 -14.856 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.944 7.734 -12.929 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.326 8.408 -12.974 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.365 7.869 -15.687 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.405 8.964 -14.798 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.751 11.136 -14.694 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.118 11.693 -15.073 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.386 7.206 -14.834 1.00 6.80 N ATOM 1882 CA LEU B 32 -7.902 7.311 -14.905 1.00 10.34 C ATOM 1883 C LEU B 32 -7.447 8.707 -14.458 1.00 9.02 C ATOM 1884 O LEU B 32 -8.249 9.555 -14.123 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.466 7.067 -16.343 1.00 10.20 C ATOM 1886 CG LEU B 32 -7.351 5.563 -16.582 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -6.079 5.034 -15.915 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -8.573 4.848 -15.995 1.00 15.89 C ATOM 0 H LEU B 32 -9.890 7.701 -15.570 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.451 6.571 -14.244 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.187 7.503 -17.034 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.509 7.552 -16.533 1.00 10.20 H new ATOM 0 HG LEU B 32 -7.305 5.373 -17.654 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -5.998 3.961 -16.086 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -5.210 5.536 -16.340 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -6.122 5.228 -14.843 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -8.485 3.776 -16.169 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -8.626 5.039 -14.923 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -9.478 5.220 -16.475 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.160 8.947 -14.453 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.637 10.277 -14.036 1.00 8.10 C ATOM 1902 C CYS B 33 -4.132 10.287 -14.290 1.00 6.34 C ATOM 1903 O CYS B 33 -3.509 9.249 -14.371 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.893 10.525 -12.541 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.347 8.987 -11.696 1.00 13.84 S ATOM 0 H CYS B 33 -5.446 8.271 -14.723 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.142 11.059 -14.603 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.000 10.947 -12.081 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.690 11.259 -12.422 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.763 7.983 -12.279 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.536 11.438 -14.414 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.069 11.476 -14.664 1.00 7.08 C ATOM 1913 C TYR B 34 -1.365 12.056 -13.444 1.00 7.71 C ATOM 1914 O TYR B 34 -1.427 13.240 -13.188 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.775 12.358 -15.871 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.887 11.556 -17.146 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -0.801 10.789 -17.589 1.00 13.61 C ATOM 1918 CD2 TYR B 34 -3.065 11.603 -17.896 1.00 12.44 C ATOM 1919 CE1 TYR B 34 -0.895 10.072 -18.782 1.00 17.22 C ATOM 1920 CE2 TYR B 34 -3.156 10.888 -19.093 1.00 16.38 C ATOM 1921 CZ TYR B 34 -2.070 10.125 -19.535 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.162 9.418 -20.717 1.00 21.14 O ATOM 0 H TYR B 34 -3.995 12.347 -14.354 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.711 10.464 -14.855 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.473 13.195 -15.897 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.774 12.781 -15.786 1.00 8.67 H new ATOM 0 HD1 TYR B 34 0.108 10.753 -17.007 1.00 13.61 H new ATOM 0 HD2 TYR B 34 -3.903 12.191 -17.551 1.00 12.44 H new ATOM 0 HE1 TYR B 34 -0.061 9.477 -19.123 1.00 17.22 H new ATOM 0 HE2 TYR B 34 -4.064 10.924 -19.677 1.00 16.38 H new ATOM 0 HH TYR B 34 -3.045 9.562 -21.116 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.700 11.235 -12.684 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.003 11.754 -11.475 1.00 10.66 C ATOM 1934 C VAL B 35 1.511 11.765 -11.689 1.00 10.57 C ATOM 1935 O VAL B 35 2.134 10.735 -11.855 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.334 10.869 -10.273 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.247 11.501 -9.005 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.853 10.745 -10.133 1.00 9.86 C ATOM 0 H VAL B 35 -0.608 10.232 -12.845 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.342 12.774 -11.291 1.00 10.66 H new ATOM 0 HB VAL B 35 0.097 9.879 -10.418 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.013 10.873 -8.145 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.329 11.590 -9.106 1.00 7.97 H new ATOM 0 HG13 VAL B 35 -0.187 12.490 -8.860 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -2.089 10.114 -9.276 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.287 11.734 -9.986 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.266 10.298 -11.037 1.00 9.86 H new ATOM 1948 N ASP B 36 2.111 12.925 -11.656 1.00 8.58 N ATOM 1949 CA ASP B 36 3.578 13.011 -11.817 1.00 11.48 C ATOM 1950 C ASP B 36 4.190 13.043 -10.420 1.00 12.38 C ATOM 1951 O ASP B 36 5.099 13.799 -10.143 1.00 11.89 O ATOM 1952 CB ASP B 36 3.947 14.291 -12.567 1.00 16.17 C ATOM 1953 CG ASP B 36 2.860 14.617 -13.593 1.00 17.97 C ATOM 1954 OD1 ASP B 36 1.720 14.774 -13.189 1.00 15.67 O ATOM 1955 OD2 ASP B 36 3.186 14.704 -14.766 1.00 25.89 O ATOM 0 H ASP B 36 1.638 13.819 -11.523 1.00 8.58 H new ATOM 0 HA ASP B 36 3.950 12.159 -12.386 1.00 11.48 H new ATOM 0 HB2 ASP B 36 4.057 15.117 -11.864 1.00 16.17 H new ATOM 0 HB3 ASP B 36 4.908 14.167 -13.067 1.00 16.17 H new ATOM 1960 N LEU B 37 3.663 12.234 -9.537 1.00 13.17 N ATOM 1961 CA LEU B 37 4.162 12.196 -8.132 1.00 18.47 C ATOM 1962 C LEU B 37 5.672 12.424 -8.100 1.00 21.14 C ATOM 1963 O LEU B 37 6.208 12.979 -7.163 1.00 24.24 O ATOM 1964 CB LEU B 37 3.839 10.835 -7.509 1.00 15.81 C ATOM 1965 CG LEU B 37 4.126 9.721 -8.518 1.00 20.59 C ATOM 1966 CD1 LEU B 37 5.613 9.360 -8.470 1.00 14.72 C ATOM 1967 CD2 LEU B 37 3.290 8.488 -8.164 1.00 20.01 C ATOM 0 H LEU B 37 2.897 11.590 -9.734 1.00 13.17 H new ATOM 0 HA LEU B 37 3.672 12.986 -7.563 1.00 18.47 H new ATOM 0 HB2 LEU B 37 4.436 10.686 -6.609 1.00 15.81 H new ATOM 0 HB3 LEU B 37 2.792 10.803 -7.206 1.00 15.81 H new ATOM 0 HG LEU B 37 3.867 10.061 -9.521 1.00 20.59 H new ATOM 0 HD11 LEU B 37 5.818 8.566 -9.189 1.00 14.72 H new ATOM 0 HD12 LEU B 37 6.209 10.238 -8.719 1.00 14.72 H new ATOM 0 HD13 LEU B 37 5.872 9.018 -7.468 1.00 14.72 H new ATOM 0 HD21 LEU B 37 3.493 7.693 -8.881 1.00 20.01 H new ATOM 0 HD22 LEU B 37 3.550 8.147 -7.162 1.00 20.01 H new ATOM 0 HD23 LEU B 37 2.231 8.745 -8.196 1.00 20.01 H new ATOM 1979 N GLY B 38 6.367 12.010 -9.115 1.00 20.70 N ATOM 1980 CA GLY B 38 7.829 12.219 -9.123 1.00 23.91 C ATOM 1981 C GLY B 38 8.466 11.358 -10.216 1.00 26.50 C ATOM 1982 O GLY B 38 9.405 10.625 -9.973 1.00 31.02 O ATOM 0 H GLY B 38 5.986 11.538 -9.935 1.00 20.70 H new ATOM 0 HA2 GLY B 38 8.055 13.271 -9.297 1.00 23.91 H new ATOM 0 HA3 GLY B 38 8.249 11.960 -8.151 1.00 23.91 H new ATOM 1986 N ASN B 39 7.961 11.434 -11.419 1.00 27.64 N ATOM 1987 CA ASN B 39 8.536 10.616 -12.518 1.00 30.27 C ATOM 1988 C ASN B 39 8.908 11.512 -13.702 1.00 26.79 C ATOM 1989 O ASN B 39 9.092 11.050 -14.809 1.00 26.87 O ATOM 1990 CB ASN B 39 7.514 9.568 -12.968 1.00 35.62 C ATOM 1991 CG ASN B 39 7.168 8.647 -11.794 1.00 41.31 C ATOM 1992 OD1 ASN B 39 7.829 8.668 -10.776 1.00 43.23 O ATOM 1993 ND2 ASN B 39 6.150 7.834 -11.895 1.00 39.63 N ATOM 0 H ASN B 39 7.175 12.028 -11.685 1.00 27.64 H new ATOM 0 HA ASN B 39 9.434 10.116 -12.155 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.613 10.059 -13.335 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.918 8.983 -13.795 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.911 7.217 -11.119 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.594 7.816 -12.750 1.00 39.63 H new ATOM 2000 N GLU B 40 9.033 12.786 -13.476 1.00 25.15 N ATOM 2001 CA GLU B 40 9.404 13.707 -14.591 1.00 23.81 C ATOM 2002 C GLU B 40 8.365 13.614 -15.714 1.00 21.12 C ATOM 2003 O GLU B 40 8.664 13.842 -16.869 1.00 19.86 O ATOM 2004 CB GLU B 40 10.777 13.310 -15.139 1.00 27.22 C ATOM 2005 CG GLU B 40 11.869 13.793 -14.183 1.00 34.87 C ATOM 2006 CD GLU B 40 13.234 13.312 -14.679 1.00 38.97 C ATOM 2007 OE1 GLU B 40 13.436 13.305 -15.882 1.00 39.54 O ATOM 2008 OE2 GLU B 40 14.054 12.960 -13.847 1.00 42.34 O ATOM 0 H GLU B 40 8.895 13.233 -12.570 1.00 25.15 H new ATOM 0 HA GLU B 40 9.436 14.730 -14.216 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.834 12.228 -15.256 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.926 13.746 -16.127 1.00 27.22 H new ATOM 0 HG2 GLU B 40 11.856 14.881 -14.120 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.681 13.413 -13.179 1.00 34.87 H new ATOM 2015 N HIS B 41 7.148 13.280 -15.385 1.00 4.47 N ATOM 2016 CA HIS B 41 6.087 13.169 -16.428 1.00 4.01 C ATOM 2017 C HIS B 41 4.800 12.678 -15.764 1.00 3.04 C ATOM 2018 O HIS B 41 4.840 12.157 -14.667 1.00 2.22 O ATOM 2019 CB HIS B 41 6.532 12.173 -17.503 1.00 4.28 C ATOM 2020 CG HIS B 41 6.906 10.866 -16.867 1.00 3.86 C ATOM 2021 ND1 HIS B 41 8.188 10.344 -16.945 1.00 4.16 N ATOM 2022 CD2 HIS B 41 6.175 9.960 -16.146 1.00 4.84 C ATOM 2023 CE1 HIS B 41 8.188 9.171 -16.286 1.00 5.55 C ATOM 2024 NE2 HIS B 41 6.984 8.888 -15.779 1.00 6.38 N ATOM 0 H HIS B 41 6.840 13.078 -14.434 1.00 4.47 H new ATOM 0 HA HIS B 41 5.914 14.139 -16.894 1.00 4.01 H new ATOM 0 HB2 HIS B 41 5.729 12.020 -18.224 1.00 4.28 H new ATOM 0 HB3 HIS B 41 7.382 12.575 -18.054 1.00 4.28 H new ATOM 0 HD2 HIS B 41 5.129 10.062 -15.899 1.00 4.84 H new ATOM 0 HE1 HIS B 41 9.055 8.536 -16.180 1.00 5.55 H new ATOM 0 HE2 HIS B 41 6.716 8.065 -15.240 1.00 6.38 H new ATOM 2032 N PRO B 42 3.689 12.859 -16.434 1.00 15.11 N ATOM 2033 CA PRO B 42 2.387 12.437 -15.901 1.00 16.08 C ATOM 2034 C PRO B 42 2.229 10.928 -16.030 1.00 17.92 C ATOM 2035 O PRO B 42 2.531 10.344 -17.051 1.00 17.13 O ATOM 2036 CB PRO B 42 1.376 13.153 -16.791 1.00 16.41 C ATOM 2037 CG PRO B 42 2.109 13.472 -18.107 1.00 13.79 C ATOM 2038 CD PRO B 42 3.618 13.487 -17.772 1.00 16.28 C ATOM 0 HA PRO B 42 2.264 12.677 -14.845 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.505 12.524 -16.974 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.016 14.065 -16.315 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.887 12.723 -18.867 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.790 14.435 -18.506 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.197 12.928 -18.507 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.015 14.502 -17.759 1.00 16.28 H new ATOM 2046 N VAL B 43 1.749 10.293 -15.006 1.00 16.29 N ATOM 2047 CA VAL B 43 1.562 8.825 -15.075 1.00 14.28 C ATOM 2048 C VAL B 43 0.070 8.515 -15.087 1.00 9.00 C ATOM 2049 O VAL B 43 -0.646 8.816 -14.153 1.00 7.99 O ATOM 2050 CB VAL B 43 2.229 8.163 -13.869 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.605 8.792 -13.640 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.364 8.361 -12.620 1.00 20.57 C ATOM 0 H VAL B 43 1.478 10.727 -14.124 1.00 16.29 H new ATOM 0 HA VAL B 43 2.020 8.435 -15.984 1.00 14.28 H new ATOM 0 HB VAL B 43 2.340 7.096 -14.062 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.082 8.321 -12.780 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.224 8.644 -14.525 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.490 9.859 -13.452 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.846 7.887 -11.765 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.246 9.427 -12.425 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.384 7.911 -12.781 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.406 7.922 -16.142 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.851 7.603 -16.214 1.00 11.55 C ATOM 2064 C LEU B 44 -2.165 6.474 -15.238 1.00 10.61 C ATOM 2065 O LEU B 44 -1.998 5.308 -15.538 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.210 7.180 -17.631 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.700 6.859 -17.696 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.507 8.152 -17.549 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.023 6.203 -19.040 1.00 20.21 C ATOM 0 H LEU B 44 0.144 7.645 -16.956 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.436 8.483 -15.948 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -1.966 7.977 -18.334 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.625 6.308 -17.922 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.961 6.175 -16.888 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.572 7.924 -17.595 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.277 8.617 -16.591 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.247 8.837 -18.356 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.088 5.974 -19.086 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.763 6.885 -19.850 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.449 5.282 -19.143 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.611 6.819 -14.067 1.00 10.81 N ATOM 2082 CA VAL B 45 -2.933 5.781 -13.050 1.00 9.29 C ATOM 2083 C VAL B 45 -4.453 5.637 -12.932 1.00 9.95 C ATOM 2084 O VAL B 45 -5.202 6.499 -13.347 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.328 6.190 -11.703 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.188 7.275 -11.050 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -2.258 4.969 -10.781 1.00 10.20 C ATOM 0 H VAL B 45 -2.768 7.781 -13.767 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.512 4.821 -13.351 1.00 9.29 H new ATOM 0 HB VAL B 45 -1.324 6.582 -11.868 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -2.750 7.559 -10.093 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -3.231 8.147 -11.703 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -4.196 6.892 -10.889 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -1.828 5.261 -9.823 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -3.262 4.575 -10.623 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -1.635 4.202 -11.240 1.00 10.20 H new ATOM 2097 N LYS B 46 -4.913 4.546 -12.384 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.384 4.335 -12.258 1.00 12.81 C ATOM 2099 C LYS B 46 -6.972 5.269 -11.197 1.00 13.35 C ATOM 2100 O LYS B 46 -6.284 6.079 -10.608 1.00 12.90 O ATOM 2101 CB LYS B 46 -6.656 2.883 -11.860 1.00 17.04 C ATOM 2102 CG LYS B 46 -7.874 2.364 -12.626 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.411 1.663 -13.906 1.00 33.77 C ATOM 2104 CE LYS B 46 -6.601 0.417 -13.543 1.00 34.48 C ATOM 2105 NZ LYS B 46 -6.908 -0.674 -14.510 1.00 36.74 N ATOM 0 H LYS B 46 -4.334 3.791 -12.018 1.00 10.76 H new ATOM 0 HA LYS B 46 -6.853 4.553 -13.218 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -5.785 2.265 -12.079 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -6.832 2.816 -10.786 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -8.440 1.671 -12.004 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -8.541 3.190 -12.872 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -8.273 1.385 -14.513 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -6.804 2.342 -14.506 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -5.535 0.645 -13.562 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -6.841 0.097 -12.529 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -6.358 -1.521 -14.264 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -7.923 -0.897 -14.471 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -6.658 -0.366 -15.471 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.250 5.152 -10.959 1.00 13.96 N ATOM 2120 CA ILE B 47 -8.924 6.012 -9.948 1.00 16.93 C ATOM 2121 C ILE B 47 -10.319 5.430 -9.682 1.00 16.52 C ATOM 2122 O ILE B 47 -10.923 4.836 -10.553 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.019 7.454 -10.494 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -8.604 8.451 -9.408 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.443 7.780 -10.956 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -9.494 8.283 -8.175 1.00 18.26 C ATOM 0 H ILE B 47 -8.863 4.487 -11.430 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.362 6.038 -9.015 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.348 7.532 -11.349 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -7.560 8.293 -9.137 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.684 9.469 -9.788 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.478 8.801 -11.335 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.736 7.089 -11.747 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.130 7.681 -10.115 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -9.192 8.996 -7.408 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -10.533 8.464 -8.449 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -9.392 7.269 -7.788 1.00 18.26 H new ATOM 2138 N THR B 48 -10.840 5.591 -8.499 1.00 16.86 N ATOM 2139 CA THR B 48 -12.195 5.039 -8.218 1.00 16.59 C ATOM 2140 C THR B 48 -13.250 6.107 -8.510 1.00 19.04 C ATOM 2141 O THR B 48 -12.989 7.291 -8.443 1.00 22.56 O ATOM 2142 CB THR B 48 -12.288 4.608 -6.752 1.00 16.30 C ATOM 2143 OG1 THR B 48 -10.981 4.378 -6.243 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.112 3.322 -6.650 1.00 16.02 C ATOM 0 H THR B 48 -10.393 6.076 -7.721 1.00 16.86 H new ATOM 0 HA THR B 48 -12.370 4.172 -8.855 1.00 16.59 H new ATOM 0 HB THR B 48 -12.770 5.394 -6.171 1.00 16.30 H new ATOM 0 HG1 THR B 48 -10.921 4.724 -5.328 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.179 3.014 -5.606 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.114 3.500 -7.041 1.00 16.02 H new ATOM 0 HG23 THR B 48 -12.631 2.535 -7.230 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.438 5.689 -8.841 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.522 6.662 -9.148 1.00 18.82 C ATOM 2154 C LEU B 49 -16.784 6.250 -8.384 1.00 20.06 C ATOM 2155 O LEU B 49 -17.472 5.321 -8.757 1.00 18.35 O ATOM 2156 CB LEU B 49 -15.800 6.649 -10.660 1.00 18.79 C ATOM 2157 CG LEU B 49 -15.853 8.076 -11.201 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.139 8.757 -10.725 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.639 8.866 -10.702 1.00 14.50 C ATOM 0 H LEU B 49 -14.707 4.708 -8.913 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.224 7.666 -8.848 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.021 6.086 -11.175 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -16.744 6.142 -10.859 1.00 18.79 H new ATOM 0 HG LEU B 49 -15.839 8.047 -12.291 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.176 9.775 -11.112 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.002 8.199 -11.089 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.156 8.782 -9.635 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.682 9.883 -11.091 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.646 8.894 -9.612 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -13.724 8.384 -11.047 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.084 6.927 -7.309 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.291 6.568 -6.511 1.00 27.04 C ATOM 2173 C ASP B 50 -19.480 6.333 -7.443 1.00 27.73 C ATOM 2174 O ASP B 50 -19.649 7.014 -8.435 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.621 7.707 -5.544 1.00 29.11 C ATOM 2176 CG ASP B 50 -19.743 7.269 -4.602 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -19.474 6.462 -3.728 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -20.852 7.749 -4.770 1.00 30.76 O ATOM 0 H ASP B 50 -16.545 7.714 -6.949 1.00 22.62 H new ATOM 0 HA ASP B 50 -18.090 5.656 -5.949 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.735 7.979 -4.970 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -18.925 8.594 -6.100 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.307 5.373 -7.130 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.488 5.095 -7.994 1.00 34.22 C ATOM 2185 C GLU B 51 -22.399 6.323 -8.016 1.00 34.98 C ATOM 2186 O GLU B 51 -23.122 6.589 -7.075 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.259 3.896 -7.438 1.00 38.24 C ATOM 2188 CG GLU B 51 -23.005 3.197 -8.575 1.00 46.84 C ATOM 2189 CD GLU B 51 -23.790 2.008 -8.017 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -23.420 1.522 -6.961 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -24.749 1.606 -8.654 1.00 53.83 O ATOM 0 H GLU B 51 -20.215 4.769 -6.313 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.154 4.870 -9.007 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -21.572 3.200 -6.957 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.964 4.226 -6.675 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -23.683 3.897 -9.063 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -22.299 2.857 -9.332 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.369 7.077 -9.080 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.231 8.289 -9.160 1.00 34.93 C ATOM 2200 C GLY B 52 -22.349 9.530 -9.308 1.00 36.10 C ATOM 2201 O GLY B 52 -22.768 10.543 -9.830 1.00 35.97 O ATOM 0 H GLY B 52 -21.784 6.906 -9.898 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.912 8.210 -10.008 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -23.846 8.371 -8.264 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.128 9.458 -8.852 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.220 10.633 -8.970 1.00 35.40 C ATOM 2207 C GLN B 53 -19.720 10.743 -10.412 1.00 31.02 C ATOM 2208 O GLN B 53 -19.551 9.746 -11.085 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.027 10.454 -8.028 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.346 11.087 -6.672 1.00 47.61 C ATOM 2211 CD GLN B 53 -18.096 11.069 -5.792 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -16.996 10.904 -6.281 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -18.218 11.231 -4.502 1.00 54.76 N ATOM 0 H GLN B 53 -20.721 8.637 -8.404 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.760 11.540 -8.700 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -18.805 9.394 -7.903 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.139 10.917 -8.457 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -19.692 12.112 -6.810 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -20.154 10.541 -6.185 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -19.141 11.370 -4.090 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -17.390 11.219 -3.906 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.497 11.958 -10.844 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.013 12.239 -12.205 1.00 23.44 C ATOM 2224 C PRO B 54 -17.509 11.968 -12.303 1.00 20.14 C ATOM 2225 O PRO B 54 -16.729 12.481 -11.526 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.312 13.726 -12.394 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.421 14.330 -10.978 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.709 13.162 -10.017 1.00 28.37 C ATOM 0 HA PRO B 54 -19.485 11.616 -12.965 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.520 14.212 -12.964 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.239 13.869 -12.950 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.497 14.838 -10.702 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.218 15.072 -10.935 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -19.039 13.178 -9.157 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.727 13.206 -9.629 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.099 11.162 -13.247 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.650 10.854 -13.396 1.00 15.58 C ATOM 2238 C ALA B 55 -14.819 12.119 -13.167 1.00 16.41 C ATOM 2239 O ALA B 55 -15.294 13.226 -13.324 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.396 10.326 -14.806 1.00 13.98 C ATOM 0 H ALA B 55 -17.710 10.703 -13.923 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.362 10.103 -12.660 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.337 10.098 -14.924 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -15.982 9.421 -14.967 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -15.688 11.082 -15.535 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.579 11.958 -12.797 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.708 13.142 -12.557 1.00 14.61 C ATOM 2248 C TYR B 56 -12.647 13.985 -13.833 1.00 15.51 C ATOM 2249 O TYR B 56 -12.088 13.580 -14.831 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.301 12.669 -12.170 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.361 11.958 -10.830 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.791 10.627 -10.760 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -11.000 12.637 -9.662 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.857 9.977 -9.523 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -11.067 11.986 -8.425 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.496 10.656 -8.356 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.562 10.016 -7.136 1.00 12.03 O ATOM 0 H TYR B 56 -13.130 11.054 -12.650 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.115 13.746 -11.746 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.908 11.998 -12.933 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.622 13.520 -12.113 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -12.072 10.102 -11.661 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.669 13.664 -9.715 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.187 8.950 -9.470 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.787 12.510 -7.523 1.00 7.90 H new ATOM 0 HH TYR B 56 -11.275 10.630 -6.428 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.232 15.152 -13.811 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.220 16.018 -15.025 1.00 14.95 C ATOM 2269 C ALA B 57 -11.776 16.277 -15.463 1.00 15.46 C ATOM 2270 O ALA B 57 -10.845 15.959 -14.749 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.901 17.351 -14.707 1.00 14.98 C ATOM 0 H ALA B 57 -13.718 15.543 -13.004 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.756 15.515 -15.830 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.893 17.985 -15.594 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.931 17.169 -14.401 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.365 17.850 -13.900 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.637 16.854 -16.631 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.321 17.180 -17.206 1.00 16.55 C ATOM 2279 C PRO B 58 -9.757 18.440 -16.548 1.00 16.75 C ATOM 2280 O PRO B 58 -10.194 19.541 -16.818 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.625 17.424 -18.687 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.129 17.781 -18.769 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.781 17.236 -17.485 1.00 13.96 C ATOM 0 HA PRO B 58 -9.578 16.397 -17.056 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.011 18.234 -19.082 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.403 16.537 -19.281 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.268 18.859 -18.846 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.585 17.337 -19.654 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.403 17.990 -17.003 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.423 16.381 -17.696 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.794 18.288 -15.681 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.213 19.479 -15.005 1.00 15.08 C ATOM 2293 C GLY B 59 -7.002 19.059 -14.171 1.00 14.96 C ATOM 2294 O GLY B 59 -6.610 17.910 -14.168 1.00 13.79 O ATOM 0 H GLY B 59 -8.386 17.392 -15.413 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.916 20.221 -15.746 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.962 19.948 -14.366 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.412 19.978 -13.455 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.239 19.626 -12.607 1.00 14.53 C ATOM 2300 C LEU B 60 -5.746 18.907 -11.359 1.00 14.15 C ATOM 2301 O LEU B 60 -6.744 19.292 -10.783 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.511 20.905 -12.191 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.017 20.750 -12.456 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -2.317 22.096 -12.247 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.434 19.714 -11.492 1.00 15.01 C ATOM 0 H LEU B 60 -6.693 20.958 -13.421 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.553 18.985 -13.161 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.903 21.756 -12.747 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.684 21.107 -11.134 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.862 20.418 -13.483 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -1.249 21.984 -12.437 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -2.732 22.833 -12.934 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -2.470 22.430 -11.221 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.366 19.602 -11.680 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.589 20.045 -10.465 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.931 18.756 -11.643 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.088 17.866 -10.929 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.581 17.156 -9.725 1.00 9.57 C ATOM 2319 C TYR B 61 -4.488 16.984 -8.693 1.00 11.76 C ATOM 2320 O TYR B 61 -3.309 17.112 -8.959 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.124 15.787 -10.108 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.533 15.967 -10.584 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.771 16.503 -11.849 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.600 15.625 -9.747 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -9.080 16.696 -12.286 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.911 15.821 -10.181 1.00 13.99 C ATOM 2327 CZ TYR B 61 -10.148 16.356 -11.450 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.444 16.547 -11.888 1.00 14.61 O ATOM 0 H TYR B 61 -4.243 17.484 -11.354 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.375 17.764 -9.291 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.511 15.339 -10.890 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.093 15.112 -9.253 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.942 16.768 -12.489 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.410 15.211 -8.768 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -9.269 17.107 -13.267 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.739 15.560 -9.539 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.449 16.644 -12.863 1.00 14.61 H new ATOM 2338 N THR B 62 -4.905 16.666 -7.512 1.00 12.22 N ATOM 2339 CA THR B 62 -3.970 16.437 -6.404 1.00 14.26 C ATOM 2340 C THR B 62 -4.576 15.337 -5.562 1.00 15.40 C ATOM 2341 O THR B 62 -5.695 15.443 -5.098 1.00 16.24 O ATOM 2342 CB THR B 62 -3.823 17.704 -5.577 1.00 15.07 C ATOM 2343 OG1 THR B 62 -5.056 17.995 -4.933 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.435 18.859 -6.496 1.00 11.61 C ATOM 0 H THR B 62 -5.888 16.553 -7.265 1.00 12.22 H new ATOM 0 HA THR B 62 -2.980 16.161 -6.768 1.00 14.26 H new ATOM 0 HB THR B 62 -3.049 17.564 -4.822 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.961 18.811 -4.398 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.328 19.771 -5.909 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.489 18.631 -6.988 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.210 19.001 -7.249 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.878 14.272 -5.382 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.462 13.171 -4.593 1.00 15.17 C ATOM 2354 C VAL B 63 -4.895 13.720 -3.239 1.00 14.24 C ATOM 2355 O VAL B 63 -4.559 14.828 -2.871 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.450 12.049 -4.422 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.202 10.753 -4.137 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.639 11.891 -5.715 1.00 18.64 C ATOM 0 H VAL B 63 -2.937 14.112 -5.741 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.328 12.760 -5.112 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.774 12.279 -3.598 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.489 9.938 -4.012 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.788 10.865 -3.225 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.867 10.528 -4.970 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -1.913 11.087 -5.593 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.311 11.652 -6.539 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.116 12.822 -5.932 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.652 12.967 -2.503 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.121 13.463 -1.182 1.00 10.78 C ATOM 2370 C HIS B 64 -5.851 12.403 -0.114 1.00 14.19 C ATOM 2371 O HIS B 64 -6.249 11.258 -0.248 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.622 13.750 -1.254 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.986 14.797 -0.236 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.344 14.894 0.988 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.934 15.792 -0.240 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.906 15.905 1.666 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.882 16.491 0.964 1.00 20.65 N ATOM 0 H HIS B 64 -5.968 12.031 -2.755 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.588 14.378 -0.924 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.889 14.092 -2.254 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.186 12.836 -1.068 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.615 16.000 -1.052 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.607 16.209 2.658 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -9.463 17.280 1.249 1.00 20.65 H new ATOM 2385 N LEU B 65 -5.181 12.773 0.948 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.886 11.792 2.025 1.00 14.44 C ATOM 2387 C LEU B 65 -6.158 11.485 2.816 1.00 12.66 C ATOM 2388 O LEU B 65 -6.141 10.703 3.746 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.815 12.360 2.960 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.442 13.353 3.917 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.481 12.742 5.318 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.617 14.638 3.941 1.00 19.03 C ATOM 0 H LEU B 65 -4.827 13.715 1.112 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.518 10.869 1.577 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.342 11.552 3.518 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -3.032 12.847 2.378 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.455 13.586 3.589 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.931 13.452 6.012 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -5.073 11.827 5.300 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.466 12.511 5.643 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -4.072 15.349 4.631 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.602 14.413 4.269 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.588 15.070 2.941 1.00 19.03 H new ATOM 2404 N SER B 66 -7.270 12.068 2.450 1.00 13.51 N ATOM 2405 CA SER B 66 -8.521 11.763 3.185 1.00 10.39 C ATOM 2406 C SER B 66 -8.732 10.253 3.116 1.00 8.56 C ATOM 2407 O SER B 66 -9.460 9.671 3.896 1.00 11.70 O ATOM 2408 CB SER B 66 -9.697 12.483 2.523 1.00 12.88 C ATOM 2409 OG SER B 66 -10.888 11.739 2.743 1.00 14.72 O ATOM 0 H SER B 66 -7.361 12.734 1.682 1.00 13.51 H new ATOM 0 HA SER B 66 -8.454 12.096 4.221 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.801 13.487 2.934 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.516 12.593 1.454 1.00 12.88 H new ATOM 0 HG SER B 66 -11.644 12.199 2.321 1.00 14.72 H new ATOM 2415 N SER B 67 -8.086 9.623 2.172 1.00 7.98 N ATOM 2416 CA SER B 67 -8.216 8.151 2.012 1.00 8.20 C ATOM 2417 C SER B 67 -7.079 7.436 2.750 1.00 11.02 C ATOM 2418 O SER B 67 -7.197 6.286 3.122 1.00 11.45 O ATOM 2419 CB SER B 67 -8.136 7.805 0.530 1.00 8.01 C ATOM 2420 OG SER B 67 -9.275 8.331 -0.138 1.00 11.22 O ATOM 0 H SER B 67 -7.467 10.074 1.498 1.00 7.98 H new ATOM 0 HA SER B 67 -9.171 7.830 2.427 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.224 8.217 0.097 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.091 6.724 0.399 1.00 8.01 H new ATOM 0 HG SER B 67 -9.544 7.720 -0.856 1.00 11.22 H new ATOM 2426 N PHE B 68 -5.969 8.097 2.944 1.00 10.09 N ATOM 2427 CA PHE B 68 -4.819 7.445 3.631 1.00 11.79 C ATOM 2428 C PHE B 68 -5.227 7.060 5.054 1.00 12.69 C ATOM 2429 O PHE B 68 -6.161 7.600 5.612 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.629 8.418 3.684 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.355 8.997 2.309 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.042 8.528 1.177 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.431 10.041 2.178 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.804 9.106 -0.074 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.192 10.614 0.926 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.881 10.149 -0.198 1.00 11.87 C ATOM 0 H PHE B 68 -5.810 9.062 2.655 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.529 6.550 3.080 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -3.840 9.223 4.388 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.743 7.899 4.050 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.754 7.721 1.273 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -1.902 10.404 3.047 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.333 8.747 -0.944 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.475 11.416 0.827 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.700 10.596 -1.164 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.532 6.128 5.642 1.00 12.51 N ATOM 2447 CA LYS B 69 -4.872 5.702 7.028 1.00 15.38 C ATOM 2448 C LYS B 69 -3.620 5.152 7.712 1.00 15.02 C ATOM 2449 O LYS B 69 -2.569 5.045 7.112 1.00 15.36 O ATOM 2450 CB LYS B 69 -5.947 4.613 6.982 1.00 16.04 C ATOM 2451 CG LYS B 69 -5.571 3.567 5.930 1.00 20.35 C ATOM 2452 CD LYS B 69 -6.209 2.225 6.295 1.00 21.35 C ATOM 2453 CE LYS B 69 -5.411 1.088 5.651 1.00 30.24 C ATOM 2454 NZ LYS B 69 -5.096 0.057 6.679 1.00 32.70 N ATOM 0 H LYS B 69 -3.741 5.641 5.221 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.248 6.558 7.588 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.044 4.142 7.960 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -6.915 5.053 6.743 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -5.911 3.888 4.945 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -4.487 3.464 5.875 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -6.228 2.102 7.378 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -7.243 2.197 5.953 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -5.984 0.643 4.838 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -4.490 1.477 5.216 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -4.554 -0.715 6.241 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -4.533 0.487 7.441 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -5.981 -0.321 7.074 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.725 4.801 8.963 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.539 4.256 9.685 1.00 13.49 C ATOM 2470 C VAL B 70 -2.789 2.788 10.034 1.00 11.85 C ATOM 2471 O VAL B 70 -3.759 2.450 10.683 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.286 5.047 10.973 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.784 5.301 11.123 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.028 6.388 10.931 1.00 15.63 C ATOM 0 H VAL B 70 -4.579 4.867 9.517 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.664 4.342 9.041 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.652 4.469 11.821 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.600 5.864 12.038 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.257 4.348 11.170 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.424 5.872 10.267 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.838 6.938 11.853 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.676 6.972 10.081 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.098 6.209 10.829 1.00 15.63 H new ATOM 2484 N GLY B 71 -1.921 1.912 9.607 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.108 0.466 9.913 1.00 11.07 C ATOM 2486 C GLY B 71 -0.979 -0.340 9.270 1.00 12.15 C ATOM 2487 O GLY B 71 0.049 0.196 8.907 1.00 12.70 O ATOM 0 H GLY B 71 -1.090 2.136 9.059 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -2.113 0.309 10.992 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -3.073 0.125 9.537 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.159 -1.625 9.125 1.00 15.78 N ATOM 2492 CA GLN B 72 -0.091 -2.458 8.505 1.00 19.42 C ATOM 2493 C GLN B 72 1.188 -2.340 9.334 1.00 16.97 C ATOM 2494 O GLN B 72 2.146 -1.712 8.928 1.00 20.46 O ATOM 2495 CB GLN B 72 0.175 -1.969 7.080 1.00 22.64 C ATOM 2496 CG GLN B 72 0.286 -3.171 6.140 1.00 25.29 C ATOM 2497 CD GLN B 72 1.325 -4.152 6.685 1.00 26.29 C ATOM 2498 OE1 GLN B 72 2.477 -3.804 6.854 1.00 26.22 O ATOM 2499 NE2 GLN B 72 0.964 -5.374 6.969 1.00 25.15 N ATOM 0 H GLN B 72 -1.997 -2.132 9.408 1.00 15.78 H new ATOM 0 HA GLN B 72 -0.411 -3.500 8.476 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -0.631 -1.312 6.753 1.00 22.64 H new ATOM 0 HB3 GLN B 72 1.095 -1.385 7.050 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -0.682 -3.664 6.048 1.00 25.29 H new ATOM 0 HG3 GLN B 72 0.572 -2.840 5.142 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -0.003 -5.666 6.827 1.00 25.15 H new ATOM 0 HE22 GLN B 72 1.649 -6.037 7.333 1.00 25.15 H new ATOM 2508 N PHE B 73 1.210 -2.934 10.496 1.00 14.56 N ATOM 2509 CA PHE B 73 2.427 -2.849 11.352 1.00 14.60 C ATOM 2510 C PHE B 73 2.568 -1.425 11.891 1.00 15.63 C ATOM 2511 O PHE B 73 3.554 -1.080 12.513 1.00 17.80 O ATOM 2512 CB PHE B 73 3.660 -3.201 10.519 1.00 12.63 C ATOM 2513 CG PHE B 73 4.275 -4.474 11.045 1.00 14.99 C ATOM 2514 CD1 PHE B 73 5.174 -4.429 12.118 1.00 19.79 C ATOM 2515 CD2 PHE B 73 3.946 -5.703 10.460 1.00 16.27 C ATOM 2516 CE1 PHE B 73 5.745 -5.611 12.604 1.00 18.68 C ATOM 2517 CE2 PHE B 73 4.517 -6.885 10.946 1.00 20.44 C ATOM 2518 CZ PHE B 73 5.416 -6.840 12.018 1.00 17.88 C ATOM 0 H PHE B 73 0.439 -3.474 10.889 1.00 14.56 H new ATOM 0 HA PHE B 73 2.338 -3.548 12.184 1.00 14.60 H new ATOM 0 HB2 PHE B 73 3.382 -3.324 9.472 1.00 12.63 H new ATOM 0 HB3 PHE B 73 4.386 -2.389 10.563 1.00 12.63 H new ATOM 0 HD1 PHE B 73 5.427 -3.482 12.571 1.00 19.79 H new ATOM 0 HD2 PHE B 73 3.252 -5.739 9.634 1.00 16.27 H new ATOM 0 HE1 PHE B 73 6.439 -5.575 13.431 1.00 18.68 H new ATOM 0 HE2 PHE B 73 4.264 -7.832 10.494 1.00 20.44 H new ATOM 0 HZ PHE B 73 5.856 -7.752 12.393 1.00 17.88 H new ATOM 2528 N GLY B 74 1.591 -0.594 11.655 1.00 13.82 N ATOM 2529 CA GLY B 74 1.667 0.808 12.150 1.00 13.44 C ATOM 2530 C GLY B 74 2.379 1.677 11.111 1.00 10.42 C ATOM 2531 O GLY B 74 3.239 2.471 11.436 1.00 13.62 O ATOM 0 H GLY B 74 0.742 -0.826 11.140 1.00 13.82 H new ATOM 0 HA2 GLY B 74 0.665 1.194 12.337 1.00 13.44 H new ATOM 0 HA3 GLY B 74 2.204 0.842 13.098 1.00 13.44 H new ATOM 2535 N SER B 75 2.027 1.534 9.861 1.00 12.64 N ATOM 2536 CA SER B 75 2.685 2.352 8.802 1.00 12.47 C ATOM 2537 C SER B 75 1.615 3.021 7.935 1.00 12.47 C ATOM 2538 O SER B 75 0.604 2.429 7.614 1.00 11.32 O ATOM 2539 CB SER B 75 3.558 1.450 7.929 1.00 11.21 C ATOM 2540 OG SER B 75 4.909 1.887 8.005 1.00 18.27 O ATOM 0 H SER B 75 1.313 0.886 9.528 1.00 12.64 H new ATOM 0 HA SER B 75 3.306 3.117 9.268 1.00 12.47 H new ATOM 0 HB2 SER B 75 3.479 0.415 8.262 1.00 11.21 H new ATOM 0 HB3 SER B 75 3.212 1.479 6.896 1.00 11.21 H new ATOM 0 HG SER B 75 5.471 1.310 7.448 1.00 18.27 H new ATOM 2546 N LEU B 76 1.831 4.251 7.552 1.00 12.43 N ATOM 2547 CA LEU B 76 0.827 4.957 6.703 1.00 12.18 C ATOM 2548 C LEU B 76 0.335 4.011 5.606 1.00 12.07 C ATOM 2549 O LEU B 76 0.995 3.051 5.262 1.00 9.82 O ATOM 2550 CB LEU B 76 1.478 6.184 6.062 1.00 11.99 C ATOM 2551 CG LEU B 76 0.588 7.407 6.282 1.00 8.87 C ATOM 2552 CD1 LEU B 76 1.145 8.242 7.437 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.561 8.252 5.006 1.00 7.80 C ATOM 0 H LEU B 76 2.659 4.797 7.790 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.016 5.271 7.319 1.00 12.18 H new ATOM 0 HB2 LEU B 76 2.463 6.355 6.496 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.625 6.015 4.995 1.00 11.99 H new ATOM 0 HG LEU B 76 -0.424 7.083 6.525 1.00 8.87 H new ATOM 0 HD11 LEU B 76 0.511 9.114 7.594 1.00 9.28 H new ATOM 0 HD12 LEU B 76 1.165 7.639 8.345 1.00 9.28 H new ATOM 0 HD13 LEU B 76 2.157 8.568 7.196 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.073 9.125 5.161 1.00 7.80 H new ATOM 0 HD22 LEU B 76 1.573 8.577 4.763 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.164 7.657 4.184 1.00 7.80 H new ATOM 2565 N MET B 77 -0.818 4.273 5.050 1.00 14.08 N ATOM 2566 CA MET B 77 -1.342 3.383 3.975 1.00 14.12 C ATOM 2567 C MET B 77 -2.496 4.069 3.241 1.00 11.37 C ATOM 2568 O MET B 77 -3.600 4.161 3.739 1.00 11.44 O ATOM 2569 CB MET B 77 -1.840 2.076 4.590 1.00 16.48 C ATOM 2570 CG MET B 77 -0.656 1.138 4.827 1.00 24.75 C ATOM 2571 SD MET B 77 -1.137 -0.558 4.418 1.00 35.11 S ATOM 2572 CE MET B 77 -0.199 -0.692 2.876 1.00 33.86 C ATOM 0 H MET B 77 -1.417 5.062 5.293 1.00 14.08 H new ATOM 0 HA MET B 77 -0.540 3.174 3.267 1.00 14.12 H new ATOM 0 HB2 MET B 77 -2.352 2.277 5.531 1.00 16.48 H new ATOM 0 HB3 MET B 77 -2.565 1.603 3.927 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.192 1.444 4.215 1.00 24.75 H new ATOM 0 HG3 MET B 77 -0.336 1.195 5.867 1.00 24.75 H new ATOM 0 HE1 MET B 77 -0.352 -1.680 2.442 1.00 33.86 H new ATOM 0 HE2 MET B 77 -0.540 0.070 2.175 1.00 33.86 H new ATOM 0 HE3 MET B 77 0.862 -0.547 3.081 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.239 4.541 2.056 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.305 5.219 1.258 1.00 11.62 C ATOM 2584 C ILE B 78 -4.626 4.449 1.400 1.00 11.45 C ATOM 2585 O ILE B 78 -5.600 4.949 1.927 1.00 12.59 O ATOM 2586 CB ILE B 78 -2.863 5.269 -0.217 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.108 6.576 -0.468 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.071 5.197 -1.153 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.841 6.289 -1.275 1.00 13.67 C ATOM 0 H ILE B 78 -1.329 4.488 1.598 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.459 6.235 1.622 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.219 4.413 -0.418 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.744 7.277 -1.008 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -1.849 7.046 0.481 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -3.732 5.234 -2.188 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -4.610 4.265 -0.981 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -4.733 6.040 -0.958 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.304 7.221 -1.453 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.203 5.603 -0.718 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.112 5.838 -2.230 1.00 13.67 H new ATOM 2601 N ASP B 79 -4.643 3.242 0.921 1.00 10.05 N ATOM 2602 CA ASP B 79 -5.867 2.386 0.990 1.00 14.79 C ATOM 2603 C ASP B 79 -6.788 2.693 -0.193 1.00 15.20 C ATOM 2604 O ASP B 79 -7.282 1.804 -0.859 1.00 18.10 O ATOM 2605 CB ASP B 79 -6.603 2.650 2.300 1.00 12.21 C ATOM 2606 CG ASP B 79 -7.511 1.463 2.627 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -7.003 0.356 2.697 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -8.699 1.680 2.801 1.00 21.87 O ATOM 0 H ASP B 79 -3.843 2.797 0.472 1.00 10.05 H new ATOM 0 HA ASP B 79 -5.573 1.337 0.946 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -5.886 2.806 3.106 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -7.195 3.562 2.219 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.012 3.943 -0.459 1.00 17.08 N ATOM 2614 CA ARG B 80 -7.893 4.333 -1.603 1.00 17.14 C ATOM 2615 C ARG B 80 -7.795 5.841 -1.797 1.00 14.98 C ATOM 2616 O ARG B 80 -8.736 6.580 -1.588 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.340 3.937 -1.312 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.208 4.255 -2.531 1.00 22.76 C ATOM 2619 CD ARG B 80 -10.552 2.960 -3.268 1.00 28.43 C ATOM 2620 NE ARG B 80 -9.469 2.638 -4.239 1.00 33.10 N ATOM 2621 CZ ARG B 80 -9.401 1.448 -4.774 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -10.288 0.540 -4.468 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -8.446 1.167 -5.618 1.00 35.04 N ATOM 0 H ARG B 80 -6.622 4.724 0.068 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.572 3.819 -2.509 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.398 2.874 -1.078 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -9.708 4.476 -0.439 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.121 4.761 -2.218 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.680 4.936 -3.198 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.670 2.144 -2.555 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -11.503 3.068 -3.790 1.00 28.43 H new ATOM 0 HE ARG B 80 -8.779 3.348 -4.487 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.036 0.759 -3.810 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -10.233 -0.388 -4.887 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -7.754 1.876 -5.859 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -8.392 0.238 -6.036 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.642 6.281 -2.188 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.383 7.728 -2.397 1.00 11.27 C ATOM 2639 C LEU B 81 -7.583 8.432 -3.044 1.00 15.61 C ATOM 2640 O LEU B 81 -8.057 8.048 -4.095 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.140 7.872 -3.272 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.519 7.760 -4.744 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.256 7.902 -5.597 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.155 6.387 -4.995 1.00 18.72 C ATOM 0 H LEU B 81 -5.840 5.680 -2.378 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.222 8.205 -1.430 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.663 8.834 -3.084 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.414 7.100 -3.016 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.228 8.544 -5.008 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.519 7.823 -6.652 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -3.797 8.873 -5.409 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -3.551 7.112 -5.338 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -6.429 6.300 -6.046 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -5.442 5.603 -4.739 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.047 6.281 -4.378 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.058 9.478 -2.423 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.205 10.238 -2.993 1.00 12.72 C ATOM 2658 C ARG B 82 -8.654 11.375 -3.855 1.00 13.33 C ATOM 2659 O ARG B 82 -8.126 12.348 -3.355 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.051 10.818 -1.857 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.534 10.580 -2.150 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.385 11.376 -1.159 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.627 11.846 -1.836 1.00 15.85 N ATOM 2664 CZ ARG B 82 -14.634 12.283 -1.128 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.558 12.312 0.175 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.720 12.692 -1.726 1.00 16.89 N ATOM 0 H ARG B 82 -7.698 9.840 -1.540 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.827 9.579 -3.598 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.777 10.351 -0.911 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.857 11.886 -1.754 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.767 10.883 -3.171 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.765 9.518 -2.072 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.639 10.755 -0.300 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.820 12.228 -0.780 1.00 16.62 H new ATOM 0 HE ARG B 82 -13.691 11.826 -2.854 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -13.710 11.993 0.644 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.346 12.654 0.724 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.781 12.670 -2.744 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -16.508 13.034 -1.175 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.749 11.249 -5.148 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.204 12.311 -6.045 1.00 13.86 C ATOM 2682 C LEU B 83 -9.080 13.564 -6.009 1.00 13.02 C ATOM 2683 O LEU B 83 -10.272 13.507 -5.778 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.152 11.796 -7.483 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.731 11.918 -8.027 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.740 11.616 -9.528 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.226 13.343 -7.797 1.00 10.58 C ATOM 0 H LEU B 83 -9.180 10.457 -5.625 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.203 12.564 -5.695 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.476 10.756 -7.518 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.840 12.366 -8.108 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.077 11.212 -7.516 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.727 11.702 -9.922 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.109 10.604 -9.693 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.389 12.327 -10.038 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.211 13.436 -8.184 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -6.877 14.048 -8.314 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.229 13.562 -6.729 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.480 14.697 -6.248 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.227 15.974 -6.254 1.00 12.86 C ATOM 2701 C VAL B 84 -8.477 16.956 -7.161 1.00 14.98 C ATOM 2702 O VAL B 84 -7.291 16.815 -7.357 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.269 16.521 -4.830 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -10.029 15.547 -3.929 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.839 16.692 -4.309 1.00 17.34 C ATOM 0 H VAL B 84 -7.483 14.787 -6.443 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.245 15.831 -6.618 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.776 17.486 -4.826 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -10.058 15.939 -2.912 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -11.047 15.426 -4.301 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.525 14.581 -3.931 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.867 17.083 -3.292 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.332 15.727 -4.313 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.299 17.388 -4.951 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.176 17.934 -7.672 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.570 18.961 -8.539 1.00 22.41 C ATOM 2717 C PRO B 85 -7.512 19.756 -7.758 1.00 25.70 C ATOM 2718 O PRO B 85 -7.652 19.994 -6.575 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.758 19.819 -8.977 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.870 19.548 -7.951 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.612 18.125 -7.426 1.00 20.63 C ATOM 0 HA PRO B 85 -8.039 18.555 -9.400 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.492 20.876 -8.995 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.082 19.554 -9.984 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.841 20.276 -7.140 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.855 19.623 -8.412 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.855 18.036 -6.367 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.213 17.385 -7.954 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.445 20.148 -8.408 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.366 20.903 -7.701 1.00 39.94 C ATOM 2731 C ALA B 86 -5.813 22.349 -7.477 1.00 46.96 C ATOM 2732 O ALA B 86 -6.039 23.091 -8.412 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.094 20.887 -8.556 1.00 39.70 C ATOM 0 H ALA B 86 -6.275 19.977 -9.399 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.165 20.435 -6.737 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.304 21.437 -8.044 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.775 19.857 -8.714 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.297 21.356 -9.519 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.940 22.758 -6.244 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.370 24.158 -5.966 1.00 55.12 C ATOM 2741 C LYS B 87 -5.137 25.057 -5.853 1.00 55.82 C ATOM 2742 O LYS B 87 -4.061 24.528 -5.629 1.00 58.05 O ATOM 2743 CB LYS B 87 -7.156 24.200 -4.653 1.00 52.96 C ATOM 2744 CG LYS B 87 -6.198 24.008 -3.475 1.00 55.49 C ATOM 2745 CD LYS B 87 -6.783 22.982 -2.502 1.00 56.64 C ATOM 2746 CE LYS B 87 -6.131 21.620 -2.742 1.00 58.91 C ATOM 2747 NZ LYS B 87 -5.421 21.184 -1.506 1.00 58.16 N ATOM 2748 OXT LYS B 87 -5.290 26.260 -5.992 1.00 57.66 O ATOM 0 H LYS B 87 -5.765 22.185 -5.419 1.00 51.78 H new ATOM 0 HA LYS B 87 -7.004 24.512 -6.779 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -7.677 25.153 -4.560 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -7.916 23.419 -4.647 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -5.226 23.671 -3.835 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -6.037 24.958 -2.965 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -6.613 23.302 -1.474 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -7.862 22.910 -2.639 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -6.888 20.886 -3.017 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -5.430 21.682 -3.574 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -4.977 20.258 -1.669 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -4.688 21.881 -1.262 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -6.101 21.109 -0.723 1.00 58.16 H new