USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ 179:sc= -3.51! (180deg=-0.112) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 177:sc= -4.7! (180deg=-1.43) USER MOD Set 2.1: A 32 CYS SG : rot -174:sc= -1.77! USER MOD Set 2.2: A 35 CYS SG : rot 180:sc= 0.0356! USER MOD Set 3.1: A 7 SER OG : rot 180:sc= 0.026 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0707 (180deg=-0.255!) USER MOD Single : A 3 LYS NZ :NH3+ 141:sc= -0.784 (180deg=-2.74!) USER MOD Single : A 4 GLN : amide:sc= -0.129 X(o=-0.13,f=0.0098) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 116:sc= 0.295 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 148:sc= -0.213 (180deg=-1.38!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.132 F(o=-0.74,f=-0.13) USER MOD Single : A 44 SER OG : rot -53:sc= 0.821 USER MOD Single : A 46 SER OG : rot 99:sc= -1.49! USER MOD Single : A 48 LYS NZ :NH3+ -142:sc= -0.165 (180deg=-0.991) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 51 ASN : amide:sc= -0.997! C(o=-1!,f=-1.6!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= -0.976 (180deg=-1.06) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 76 THR OG1 : rot 87:sc= -0.0535! USER MOD Single : A 78 GLN :FLIP amide:sc= -1.28 F(o=-2.9!,f=-1.3) USER MOD Single : A 84 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.46) USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= -0.604! (180deg=-0.627!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.21 K(o=-1.2,f=-4.7!) USER MOD Single : A 94 LYS NZ :NH3+ 139:sc= 0.612 (180deg=0.0506) USER MOD Single : A 96 LYS NZ :NH3+ -147:sc= -0.303 (180deg=-1.47!) USER MOD Single : A 100 THR OG1 : rot 81:sc= 0.0669 USER MOD Single : A 102 ASN : amide:sc= -1.64! C(o=-1.6!,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.166 -1.993 9.388 1.00 0.90 N ATOM 2 CA MET A 1 -6.925 -1.441 10.003 1.00 0.47 C ATOM 3 C MET A 1 -5.776 -1.530 8.994 1.00 0.36 C ATOM 4 O MET A 1 -5.993 -1.561 7.798 1.00 0.32 O ATOM 5 CB MET A 1 -6.576 -2.249 11.255 1.00 0.91 C ATOM 6 CG MET A 1 -7.691 -2.092 12.292 1.00 1.69 C ATOM 7 SD MET A 1 -9.150 -3.018 11.754 1.00 2.56 S ATOM 8 CE MET A 1 -10.325 -2.287 12.921 1.00 3.20 C ATOM 0 H1 MET A 1 -8.642 -2.619 10.069 1.00 0.90 H new ATOM 0 H2 MET A 1 -8.803 -1.212 9.131 1.00 0.90 H new ATOM 0 H3 MET A 1 -7.920 -2.534 8.534 1.00 0.90 H new ATOM 0 HA MET A 1 -7.084 -0.399 10.279 1.00 0.47 H new ATOM 0 HB2 MET A 1 -6.449 -3.301 10.998 1.00 0.91 H new ATOM 0 HB3 MET A 1 -5.628 -1.906 11.670 1.00 0.91 H new ATOM 0 HG2 MET A 1 -7.354 -2.456 13.262 1.00 1.69 H new ATOM 0 HG3 MET A 1 -7.941 -1.038 12.416 1.00 1.69 H new ATOM 0 HE1 MET A 1 -11.312 -2.722 12.764 1.00 3.20 H new ATOM 0 HE2 MET A 1 -9.998 -2.488 13.941 1.00 3.20 H new ATOM 0 HE3 MET A 1 -10.374 -1.210 12.761 1.00 3.20 H new ATOM 20 N VAL A 2 -4.552 -1.573 9.465 1.00 0.36 N ATOM 21 CA VAL A 2 -3.379 -1.660 8.536 1.00 0.27 C ATOM 22 C VAL A 2 -2.373 -2.673 9.087 1.00 0.27 C ATOM 23 O VAL A 2 -2.533 -3.194 10.173 1.00 0.33 O ATOM 24 CB VAL A 2 -2.716 -0.281 8.425 1.00 0.27 C ATOM 25 CG1 VAL A 2 -1.585 -0.318 7.384 1.00 0.24 C ATOM 26 CG2 VAL A 2 -3.769 0.745 8.001 1.00 0.34 C ATOM 0 H VAL A 2 -4.314 -1.552 10.457 1.00 0.36 H new ATOM 0 HA VAL A 2 -3.713 -1.981 7.549 1.00 0.27 H new ATOM 0 HB VAL A 2 -2.294 -0.004 9.391 1.00 0.27 H new ATOM 0 HG11 VAL A 2 -1.122 0.666 7.314 1.00 0.24 H new ATOM 0 HG12 VAL A 2 -0.836 -1.050 7.686 1.00 0.24 H new ATOM 0 HG13 VAL A 2 -1.994 -0.596 6.413 1.00 0.24 H new ATOM 0 HG21 VAL A 2 -3.306 1.729 7.920 1.00 0.34 H new ATOM 0 HG22 VAL A 2 -4.187 0.460 7.036 1.00 0.34 H new ATOM 0 HG23 VAL A 2 -4.565 0.779 8.745 1.00 0.34 H new ATOM 36 N LYS A 3 -1.334 -2.957 8.346 1.00 0.23 N ATOM 37 CA LYS A 3 -0.314 -3.935 8.825 1.00 0.26 C ATOM 38 C LYS A 3 1.052 -3.566 8.246 1.00 0.22 C ATOM 39 O LYS A 3 1.212 -3.415 7.051 1.00 0.20 O ATOM 40 CB LYS A 3 -0.700 -5.340 8.359 1.00 0.30 C ATOM 41 CG LYS A 3 0.286 -6.359 8.937 1.00 0.37 C ATOM 42 CD LYS A 3 -0.292 -7.770 8.799 1.00 0.90 C ATOM 43 CE LYS A 3 -0.687 -8.027 7.342 1.00 1.57 C ATOM 44 NZ LYS A 3 -0.851 -9.492 7.124 1.00 2.23 N ATOM 0 H LYS A 3 -1.148 -2.553 7.428 1.00 0.23 H new ATOM 0 HA LYS A 3 -0.268 -3.912 9.914 1.00 0.26 H new ATOM 0 HB2 LYS A 3 -1.714 -5.576 8.682 1.00 0.30 H new ATOM 0 HB3 LYS A 3 -0.693 -5.388 7.270 1.00 0.30 H new ATOM 0 HG2 LYS A 3 1.240 -6.293 8.414 1.00 0.37 H new ATOM 0 HG3 LYS A 3 0.481 -6.136 9.986 1.00 0.37 H new ATOM 0 HD2 LYS A 3 0.443 -8.507 9.122 1.00 0.90 H new ATOM 0 HD3 LYS A 3 -1.162 -7.882 9.447 1.00 0.90 H new ATOM 0 HE2 LYS A 3 -1.616 -7.507 7.109 1.00 1.57 H new ATOM 0 HE3 LYS A 3 0.076 -7.632 6.672 1.00 1.57 H new ATOM 0 HZ1 LYS A 3 -1.664 -9.661 6.498 1.00 2.23 H new ATOM 0 HZ2 LYS A 3 0.010 -9.876 6.685 1.00 2.23 H new ATOM 0 HZ3 LYS A 3 -1.014 -9.963 8.037 1.00 2.23 H new ATOM 58 N GLN A 4 2.040 -3.418 9.086 1.00 0.23 N ATOM 59 CA GLN A 4 3.395 -3.056 8.587 1.00 0.22 C ATOM 60 C GLN A 4 4.094 -4.307 8.056 1.00 0.20 C ATOM 61 O GLN A 4 4.162 -5.323 8.720 1.00 0.22 O ATOM 62 CB GLN A 4 4.218 -2.458 9.731 1.00 0.26 C ATOM 63 CG GLN A 4 5.563 -1.968 9.190 1.00 0.30 C ATOM 64 CD GLN A 4 6.376 -1.349 10.328 1.00 0.33 C ATOM 65 OE1 GLN A 4 7.522 -1.700 10.532 1.00 0.88 O ATOM 66 NE2 GLN A 4 5.829 -0.437 11.083 1.00 0.93 N ATOM 0 H GLN A 4 1.966 -3.532 10.097 1.00 0.23 H new ATOM 0 HA GLN A 4 3.303 -2.324 7.785 1.00 0.22 H new ATOM 0 HB2 GLN A 4 3.676 -1.631 10.190 1.00 0.26 H new ATOM 0 HB3 GLN A 4 4.377 -3.205 10.508 1.00 0.26 H new ATOM 0 HG2 GLN A 4 6.113 -2.798 8.746 1.00 0.30 H new ATOM 0 HG3 GLN A 4 5.404 -1.233 8.401 1.00 0.30 H new ATOM 0 HE21 GLN A 4 4.868 -0.143 10.912 1.00 0.93 H new ATOM 0 HE22 GLN A 4 6.363 -0.018 11.845 1.00 0.93 H new ATOM 75 N ILE A 5 4.613 -4.242 6.860 1.00 0.18 N ATOM 76 CA ILE A 5 5.310 -5.424 6.272 1.00 0.17 C ATOM 77 C ILE A 5 6.804 -5.342 6.591 1.00 0.18 C ATOM 78 O ILE A 5 7.431 -4.316 6.415 1.00 0.20 O ATOM 79 CB ILE A 5 5.114 -5.417 4.751 1.00 0.17 C ATOM 80 CG1 ILE A 5 3.626 -5.178 4.418 1.00 0.20 C ATOM 81 CG2 ILE A 5 5.598 -6.748 4.150 1.00 0.19 C ATOM 82 CD1 ILE A 5 2.724 -6.083 5.267 1.00 0.28 C ATOM 0 H ILE A 5 4.584 -3.417 6.261 1.00 0.18 H new ATOM 0 HA ILE A 5 4.898 -6.341 6.692 1.00 0.17 H new ATOM 0 HB ILE A 5 5.703 -4.610 4.316 1.00 0.17 H new ATOM 0 HG12 ILE A 5 3.372 -4.133 4.597 1.00 0.20 H new ATOM 0 HG13 ILE A 5 3.450 -5.372 3.360 1.00 0.20 H new ATOM 0 HG21 ILE A 5 5.454 -6.733 3.070 1.00 0.19 H new ATOM 0 HG22 ILE A 5 6.656 -6.885 4.374 1.00 0.19 H new ATOM 0 HG23 ILE A 5 5.027 -7.571 4.580 1.00 0.19 H new ATOM 0 HD11 ILE A 5 1.680 -5.896 5.014 1.00 0.28 H new ATOM 0 HD12 ILE A 5 2.965 -7.127 5.067 1.00 0.28 H new ATOM 0 HD13 ILE A 5 2.885 -5.869 6.324 1.00 0.28 H new ATOM 94 N GLU A 6 7.382 -6.417 7.064 1.00 0.20 N ATOM 95 CA GLU A 6 8.837 -6.404 7.399 1.00 0.23 C ATOM 96 C GLU A 6 9.649 -6.897 6.199 1.00 0.22 C ATOM 97 O GLU A 6 10.752 -6.449 5.959 1.00 0.25 O ATOM 98 CB GLU A 6 9.090 -7.326 8.595 1.00 0.30 C ATOM 99 CG GLU A 6 8.203 -6.895 9.765 1.00 0.45 C ATOM 100 CD GLU A 6 8.649 -5.519 10.264 1.00 1.26 C ATOM 101 OE1 GLU A 6 9.843 -5.322 10.410 1.00 2.03 O ATOM 102 OE2 GLU A 6 7.787 -4.686 10.492 1.00 2.00 O ATOM 0 H GLU A 6 6.908 -7.304 7.233 1.00 0.20 H new ATOM 0 HA GLU A 6 9.141 -5.387 7.647 1.00 0.23 H new ATOM 0 HB2 GLU A 6 8.876 -8.360 8.323 1.00 0.30 H new ATOM 0 HB3 GLU A 6 10.140 -7.284 8.885 1.00 0.30 H new ATOM 0 HG2 GLU A 6 7.160 -6.859 9.450 1.00 0.45 H new ATOM 0 HG3 GLU A 6 8.267 -7.625 10.572 1.00 0.45 H new ATOM 109 N SER A 7 9.113 -7.817 5.444 1.00 0.21 N ATOM 110 CA SER A 7 9.863 -8.336 4.262 1.00 0.24 C ATOM 111 C SER A 7 8.887 -8.975 3.272 1.00 0.22 C ATOM 112 O SER A 7 7.703 -8.705 3.288 1.00 0.20 O ATOM 113 CB SER A 7 10.878 -9.381 4.722 1.00 0.30 C ATOM 114 OG SER A 7 10.199 -10.594 5.019 1.00 0.34 O ATOM 0 H SER A 7 8.193 -8.231 5.592 1.00 0.21 H new ATOM 0 HA SER A 7 10.383 -7.511 3.775 1.00 0.24 H new ATOM 0 HB2 SER A 7 11.623 -9.549 3.944 1.00 0.30 H new ATOM 0 HB3 SER A 7 11.411 -9.024 5.603 1.00 0.30 H new ATOM 0 HG SER A 7 10.847 -11.268 5.313 1.00 0.34 H new ATOM 120 N LYS A 8 9.380 -9.822 2.409 1.00 0.24 N ATOM 121 CA LYS A 8 8.486 -10.481 1.413 1.00 0.24 C ATOM 122 C LYS A 8 7.785 -11.675 2.062 1.00 0.25 C ATOM 123 O LYS A 8 6.704 -12.064 1.664 1.00 0.25 O ATOM 124 CB LYS A 8 9.319 -10.964 0.223 1.00 0.28 C ATOM 125 CG LYS A 8 8.409 -11.660 -0.792 1.00 0.36 C ATOM 126 CD LYS A 8 9.140 -11.792 -2.131 1.00 0.42 C ATOM 127 CE LYS A 8 10.382 -12.670 -1.955 1.00 0.98 C ATOM 128 NZ LYS A 8 10.869 -13.115 -3.291 1.00 1.80 N ATOM 0 H LYS A 8 10.363 -10.086 2.350 1.00 0.24 H new ATOM 0 HA LYS A 8 7.738 -9.766 1.069 1.00 0.24 H new ATOM 0 HB2 LYS A 8 9.825 -10.120 -0.246 1.00 0.28 H new ATOM 0 HB3 LYS A 8 10.094 -11.651 0.563 1.00 0.28 H new ATOM 0 HG2 LYS A 8 8.123 -12.645 -0.424 1.00 0.36 H new ATOM 0 HG3 LYS A 8 7.490 -11.089 -0.923 1.00 0.36 H new ATOM 0 HD2 LYS A 8 8.476 -12.229 -2.877 1.00 0.42 H new ATOM 0 HD3 LYS A 8 9.428 -10.807 -2.498 1.00 0.42 H new ATOM 0 HE2 LYS A 8 11.164 -12.113 -1.438 1.00 0.98 H new ATOM 0 HE3 LYS A 8 10.144 -13.535 -1.336 1.00 0.98 H new ATOM 0 HZ1 LYS A 8 11.713 -13.711 -3.172 1.00 1.80 H new ATOM 0 HZ2 LYS A 8 10.123 -13.661 -3.768 1.00 1.80 H new ATOM 0 HZ3 LYS A 8 11.111 -12.284 -3.867 1.00 1.80 H new ATOM 142 N THR A 9 8.389 -12.261 3.059 1.00 0.30 N ATOM 143 CA THR A 9 7.753 -13.428 3.730 1.00 0.34 C ATOM 144 C THR A 9 6.388 -13.016 4.280 1.00 0.32 C ATOM 145 O THR A 9 5.381 -13.638 4.006 1.00 0.33 O ATOM 146 CB THR A 9 8.644 -13.906 4.880 1.00 0.41 C ATOM 147 OG1 THR A 9 9.967 -14.101 4.402 1.00 0.46 O ATOM 148 CG2 THR A 9 8.100 -15.223 5.436 1.00 0.49 C ATOM 0 H THR A 9 9.294 -11.982 3.437 1.00 0.30 H new ATOM 0 HA THR A 9 7.627 -14.236 3.010 1.00 0.34 H new ATOM 0 HB THR A 9 8.650 -13.156 5.671 1.00 0.41 H new ATOM 0 HG1 THR A 9 10.539 -14.405 5.137 1.00 0.46 H new ATOM 0 HG21 THR A 9 8.735 -15.562 6.254 1.00 0.49 H new ATOM 0 HG22 THR A 9 7.085 -15.071 5.803 1.00 0.49 H new ATOM 0 HG23 THR A 9 8.092 -15.975 4.647 1.00 0.49 H new ATOM 156 N ALA A 10 6.347 -11.969 5.054 1.00 0.31 N ATOM 157 CA ALA A 10 5.050 -11.510 5.624 1.00 0.32 C ATOM 158 C ALA A 10 4.171 -10.949 4.504 1.00 0.27 C ATOM 159 O ALA A 10 2.959 -10.979 4.580 1.00 0.29 O ATOM 160 CB ALA A 10 5.306 -10.420 6.666 1.00 0.35 C ATOM 0 H ALA A 10 7.158 -11.409 5.318 1.00 0.31 H new ATOM 0 HA ALA A 10 4.544 -12.351 6.097 1.00 0.32 H new ATOM 0 HB1 ALA A 10 4.356 -10.085 7.083 1.00 0.35 H new ATOM 0 HB2 ALA A 10 5.932 -10.819 7.464 1.00 0.35 H new ATOM 0 HB3 ALA A 10 5.813 -9.578 6.195 1.00 0.35 H new ATOM 166 N PHE A 11 4.772 -10.434 3.465 1.00 0.22 N ATOM 167 CA PHE A 11 3.969 -9.870 2.345 1.00 0.18 C ATOM 168 C PHE A 11 3.076 -10.961 1.755 1.00 0.20 C ATOM 169 O PHE A 11 1.880 -10.794 1.628 1.00 0.22 O ATOM 170 CB PHE A 11 4.906 -9.339 1.258 1.00 0.16 C ATOM 171 CG PHE A 11 4.095 -8.653 0.181 1.00 0.17 C ATOM 172 CD1 PHE A 11 3.444 -7.433 0.458 1.00 0.19 C ATOM 173 CD2 PHE A 11 3.991 -9.229 -1.102 1.00 0.21 C ATOM 174 CE1 PHE A 11 2.692 -6.793 -0.545 1.00 0.23 C ATOM 175 CE2 PHE A 11 3.240 -8.586 -2.104 1.00 0.24 C ATOM 176 CZ PHE A 11 2.590 -7.369 -1.825 1.00 0.25 C ATOM 0 H PHE A 11 5.783 -10.380 3.345 1.00 0.22 H new ATOM 0 HA PHE A 11 3.349 -9.056 2.721 1.00 0.18 H new ATOM 0 HB2 PHE A 11 5.621 -8.639 1.690 1.00 0.16 H new ATOM 0 HB3 PHE A 11 5.482 -10.158 0.828 1.00 0.16 H new ATOM 0 HD1 PHE A 11 3.522 -6.990 1.440 1.00 0.19 H new ATOM 0 HD2 PHE A 11 4.488 -10.164 -1.316 1.00 0.21 H new ATOM 0 HE1 PHE A 11 2.193 -5.859 -0.332 1.00 0.23 H new ATOM 0 HE2 PHE A 11 3.162 -9.026 -3.087 1.00 0.24 H new ATOM 0 HZ PHE A 11 2.013 -6.877 -2.594 1.00 0.25 H new ATOM 186 N GLN A 12 3.645 -12.076 1.390 1.00 0.25 N ATOM 187 CA GLN A 12 2.822 -13.173 0.806 1.00 0.31 C ATOM 188 C GLN A 12 1.783 -13.633 1.829 1.00 0.31 C ATOM 189 O GLN A 12 0.615 -13.765 1.525 1.00 0.31 O ATOM 190 CB GLN A 12 3.729 -14.348 0.433 1.00 0.39 C ATOM 191 CG GLN A 12 4.784 -13.882 -0.572 1.00 1.09 C ATOM 192 CD GLN A 12 5.710 -15.050 -0.918 1.00 1.62 C ATOM 193 OE1 GLN A 12 5.839 -15.985 -0.153 1.00 2.26 O ATOM 194 NE2 GLN A 12 6.362 -15.037 -2.048 1.00 2.24 N ATOM 0 H GLN A 12 4.642 -12.275 1.470 1.00 0.25 H new ATOM 0 HA GLN A 12 2.314 -12.809 -0.087 1.00 0.31 H new ATOM 0 HB2 GLN A 12 4.213 -14.745 1.326 1.00 0.39 H new ATOM 0 HB3 GLN A 12 3.136 -15.157 0.005 1.00 0.39 H new ATOM 0 HG2 GLN A 12 4.301 -13.507 -1.474 1.00 1.09 H new ATOM 0 HG3 GLN A 12 5.362 -13.058 -0.153 1.00 1.09 H new ATOM 0 HE21 GLN A 12 6.254 -14.252 -2.690 1.00 2.24 H new ATOM 0 HE22 GLN A 12 6.980 -15.812 -2.289 1.00 2.24 H new ATOM 203 N GLU A 13 2.199 -13.876 3.038 1.00 0.34 N ATOM 204 CA GLU A 13 1.235 -14.326 4.081 1.00 0.38 C ATOM 205 C GLU A 13 0.161 -13.255 4.278 1.00 0.35 C ATOM 206 O GLU A 13 -0.959 -13.546 4.650 1.00 0.37 O ATOM 207 CB GLU A 13 1.977 -14.553 5.399 1.00 0.45 C ATOM 208 CG GLU A 13 3.074 -15.600 5.194 1.00 0.54 C ATOM 209 CD GLU A 13 2.433 -16.961 4.915 1.00 1.25 C ATOM 210 OE1 GLU A 13 1.849 -17.517 5.830 1.00 2.06 O ATOM 211 OE2 GLU A 13 2.539 -17.425 3.792 1.00 1.98 O ATOM 0 H GLU A 13 3.165 -13.783 3.351 1.00 0.34 H new ATOM 0 HA GLU A 13 0.766 -15.257 3.764 1.00 0.38 H new ATOM 0 HB2 GLU A 13 2.413 -13.617 5.749 1.00 0.45 H new ATOM 0 HB3 GLU A 13 1.280 -14.887 6.168 1.00 0.45 H new ATOM 0 HG2 GLU A 13 3.717 -15.311 4.362 1.00 0.54 H new ATOM 0 HG3 GLU A 13 3.706 -15.658 6.080 1.00 0.54 H new ATOM 218 N ALA A 14 0.491 -12.016 4.029 1.00 0.31 N ATOM 219 CA ALA A 14 -0.515 -10.930 4.202 1.00 0.31 C ATOM 220 C ALA A 14 -1.609 -11.081 3.143 1.00 0.28 C ATOM 221 O ALA A 14 -2.785 -11.062 3.446 1.00 0.30 O ATOM 222 CB ALA A 14 0.165 -9.570 4.044 1.00 0.30 C ATOM 0 H ALA A 14 1.412 -11.710 3.714 1.00 0.31 H new ATOM 0 HA ALA A 14 -0.957 -10.998 5.196 1.00 0.31 H new ATOM 0 HB1 ALA A 14 -0.573 -8.778 4.171 1.00 0.30 H new ATOM 0 HB2 ALA A 14 0.945 -9.464 4.798 1.00 0.30 H new ATOM 0 HB3 ALA A 14 0.608 -9.498 3.051 1.00 0.30 H new ATOM 228 N LEU A 15 -1.232 -11.235 1.903 1.00 0.26 N ATOM 229 CA LEU A 15 -2.256 -11.393 0.832 1.00 0.26 C ATOM 230 C LEU A 15 -3.018 -12.698 1.059 1.00 0.30 C ATOM 231 O LEU A 15 -4.126 -12.871 0.593 1.00 0.30 O ATOM 232 CB LEU A 15 -1.569 -11.433 -0.537 1.00 0.27 C ATOM 233 CG LEU A 15 -0.584 -10.268 -0.660 1.00 0.32 C ATOM 234 CD1 LEU A 15 0.140 -10.354 -2.006 1.00 0.28 C ATOM 235 CD2 LEU A 15 -1.343 -8.937 -0.570 1.00 0.64 C ATOM 0 H LEU A 15 -0.263 -11.258 1.586 1.00 0.26 H new ATOM 0 HA LEU A 15 -2.948 -10.552 0.860 1.00 0.26 H new ATOM 0 HB2 LEU A 15 -1.043 -12.380 -0.662 1.00 0.27 H new ATOM 0 HB3 LEU A 15 -2.315 -11.375 -1.330 1.00 0.27 H new ATOM 0 HG LEU A 15 0.144 -10.323 0.150 1.00 0.32 H new ATOM 0 HD11 LEU A 15 0.842 -9.525 -2.095 1.00 0.28 H new ATOM 0 HD12 LEU A 15 0.683 -11.297 -2.068 1.00 0.28 H new ATOM 0 HD13 LEU A 15 -0.589 -10.301 -2.815 1.00 0.28 H new ATOM 0 HD21 LEU A 15 -0.639 -8.110 -0.658 1.00 0.64 H new ATOM 0 HD22 LEU A 15 -2.073 -8.879 -1.377 1.00 0.64 H new ATOM 0 HD23 LEU A 15 -1.857 -8.875 0.389 1.00 0.64 H new ATOM 247 N ASP A 16 -2.433 -13.619 1.776 1.00 0.33 N ATOM 248 CA ASP A 16 -3.123 -14.912 2.037 1.00 0.38 C ATOM 249 C ASP A 16 -4.288 -14.681 3.000 1.00 0.38 C ATOM 250 O ASP A 16 -5.380 -15.178 2.802 1.00 0.39 O ATOM 251 CB ASP A 16 -2.137 -15.901 2.662 1.00 0.44 C ATOM 252 CG ASP A 16 -2.821 -17.258 2.845 1.00 0.52 C ATOM 253 OD1 ASP A 16 -3.547 -17.407 3.814 1.00 1.17 O ATOM 254 OD2 ASP A 16 -2.607 -18.125 2.014 1.00 1.24 O ATOM 0 H ASP A 16 -1.506 -13.530 2.192 1.00 0.33 H new ATOM 0 HA ASP A 16 -3.499 -15.318 1.098 1.00 0.38 H new ATOM 0 HB2 ASP A 16 -1.259 -16.007 2.025 1.00 0.44 H new ATOM 0 HB3 ASP A 16 -1.789 -15.525 3.624 1.00 0.44 H new ATOM 259 N ALA A 17 -4.064 -13.928 4.039 1.00 0.38 N ATOM 260 CA ALA A 17 -5.156 -13.661 5.018 1.00 0.41 C ATOM 261 C ALA A 17 -6.184 -12.715 4.393 1.00 0.35 C ATOM 262 O ALA A 17 -7.316 -12.638 4.829 1.00 0.37 O ATOM 263 CB ALA A 17 -4.566 -13.015 6.274 1.00 0.46 C ATOM 0 H ALA A 17 -3.171 -13.485 4.254 1.00 0.38 H new ATOM 0 HA ALA A 17 -5.642 -14.599 5.285 1.00 0.41 H new ATOM 0 HB1 ALA A 17 -5.363 -12.819 6.991 1.00 0.46 H new ATOM 0 HB2 ALA A 17 -3.834 -13.688 6.720 1.00 0.46 H new ATOM 0 HB3 ALA A 17 -4.080 -12.077 6.007 1.00 0.46 H new ATOM 269 N ALA A 18 -5.801 -11.993 3.376 1.00 0.31 N ATOM 270 CA ALA A 18 -6.757 -11.052 2.727 1.00 0.28 C ATOM 271 C ALA A 18 -7.889 -11.845 2.069 1.00 0.26 C ATOM 272 O ALA A 18 -8.993 -11.361 1.923 1.00 0.30 O ATOM 273 CB ALA A 18 -6.024 -10.232 1.665 1.00 0.25 C ATOM 0 H ALA A 18 -4.867 -12.014 2.966 1.00 0.31 H new ATOM 0 HA ALA A 18 -7.174 -10.382 3.479 1.00 0.28 H new ATOM 0 HB1 ALA A 18 -6.723 -9.544 1.190 1.00 0.25 H new ATOM 0 HB2 ALA A 18 -5.219 -9.666 2.134 1.00 0.25 H new ATOM 0 HB3 ALA A 18 -5.606 -10.901 0.913 1.00 0.25 H new ATOM 279 N GLY A 19 -7.625 -13.060 1.672 1.00 0.28 N ATOM 280 CA GLY A 19 -8.688 -13.884 1.025 1.00 0.30 C ATOM 281 C GLY A 19 -8.752 -13.557 -0.469 1.00 0.26 C ATOM 282 O GLY A 19 -7.887 -13.936 -1.234 1.00 0.32 O ATOM 0 H GLY A 19 -6.719 -13.519 1.767 1.00 0.28 H new ATOM 0 HA2 GLY A 19 -8.478 -14.944 1.167 1.00 0.30 H new ATOM 0 HA3 GLY A 19 -9.652 -13.685 1.493 1.00 0.30 H new ATOM 286 N ASP A 20 -9.775 -12.860 -0.892 1.00 0.20 N ATOM 287 CA ASP A 20 -9.907 -12.505 -2.341 1.00 0.23 C ATOM 288 C ASP A 20 -10.435 -11.075 -2.469 1.00 0.21 C ATOM 289 O ASP A 20 -10.746 -10.613 -3.549 1.00 0.27 O ATOM 290 CB ASP A 20 -10.885 -13.470 -3.013 1.00 0.31 C ATOM 291 CG ASP A 20 -10.382 -14.906 -2.846 1.00 1.52 C ATOM 292 OD1 ASP A 20 -9.199 -15.125 -3.051 1.00 2.33 O ATOM 293 OD2 ASP A 20 -11.187 -15.760 -2.514 1.00 2.25 O ATOM 0 H ASP A 20 -10.529 -12.519 -0.295 1.00 0.20 H new ATOM 0 HA ASP A 20 -8.933 -12.578 -2.824 1.00 0.23 H new ATOM 0 HB2 ASP A 20 -11.876 -13.367 -2.571 1.00 0.31 H new ATOM 0 HB3 ASP A 20 -10.982 -13.228 -4.071 1.00 0.31 H new ATOM 298 N LYS A 21 -10.536 -10.370 -1.377 1.00 0.19 N ATOM 299 CA LYS A 21 -11.043 -8.971 -1.442 1.00 0.26 C ATOM 300 C LYS A 21 -9.946 -8.063 -2.006 1.00 0.21 C ATOM 301 O LYS A 21 -8.829 -8.488 -2.225 1.00 0.22 O ATOM 302 CB LYS A 21 -11.434 -8.503 -0.035 1.00 0.34 C ATOM 303 CG LYS A 21 -12.124 -9.646 0.712 1.00 0.35 C ATOM 304 CD LYS A 21 -12.619 -9.143 2.068 1.00 0.41 C ATOM 305 CE LYS A 21 -13.492 -10.215 2.725 1.00 1.20 C ATOM 306 NZ LYS A 21 -13.926 -9.746 4.070 1.00 1.99 N ATOM 0 H LYS A 21 -10.290 -10.701 -0.444 1.00 0.19 H new ATOM 0 HA LYS A 21 -11.919 -8.926 -2.090 1.00 0.26 H new ATOM 0 HB2 LYS A 21 -10.548 -8.181 0.511 1.00 0.34 H new ATOM 0 HB3 LYS A 21 -12.100 -7.642 -0.099 1.00 0.34 H new ATOM 0 HG2 LYS A 21 -12.961 -10.025 0.125 1.00 0.35 H new ATOM 0 HG3 LYS A 21 -11.430 -10.475 0.851 1.00 0.35 H new ATOM 0 HD2 LYS A 21 -11.771 -8.906 2.711 1.00 0.41 H new ATOM 0 HD3 LYS A 21 -13.189 -8.223 1.940 1.00 0.41 H new ATOM 0 HE2 LYS A 21 -14.362 -10.423 2.102 1.00 1.20 H new ATOM 0 HE3 LYS A 21 -12.935 -11.148 2.815 1.00 1.20 H new ATOM 0 HZ1 LYS A 21 -14.519 -10.474 4.517 1.00 1.99 H new ATOM 0 HZ2 LYS A 21 -13.090 -9.569 4.662 1.00 1.99 H new ATOM 0 HZ3 LYS A 21 -14.473 -8.867 3.971 1.00 1.99 H new ATOM 320 N LEU A 22 -10.254 -6.818 -2.248 1.00 0.19 N ATOM 321 CA LEU A 22 -9.225 -5.892 -2.800 1.00 0.16 C ATOM 322 C LEU A 22 -8.091 -5.743 -1.773 1.00 0.15 C ATOM 323 O LEU A 22 -8.283 -5.951 -0.590 1.00 0.17 O ATOM 324 CB LEU A 22 -9.882 -4.519 -3.091 1.00 0.18 C ATOM 325 CG LEU A 22 -9.501 -4.012 -4.492 1.00 0.20 C ATOM 326 CD1 LEU A 22 -10.220 -2.688 -4.762 1.00 0.26 C ATOM 327 CD2 LEU A 22 -7.982 -3.794 -4.578 1.00 0.20 C ATOM 0 H LEU A 22 -11.172 -6.403 -2.088 1.00 0.19 H new ATOM 0 HA LEU A 22 -8.814 -6.287 -3.729 1.00 0.16 H new ATOM 0 HB2 LEU A 22 -10.966 -4.607 -3.014 1.00 0.18 H new ATOM 0 HB3 LEU A 22 -9.567 -3.795 -2.340 1.00 0.18 H new ATOM 0 HG LEU A 22 -9.797 -4.753 -5.235 1.00 0.20 H new ATOM 0 HD11 LEU A 22 -9.953 -2.325 -5.754 1.00 0.26 H new ATOM 0 HD12 LEU A 22 -11.298 -2.842 -4.710 1.00 0.26 H new ATOM 0 HD13 LEU A 22 -9.922 -1.953 -4.014 1.00 0.26 H new ATOM 0 HD21 LEU A 22 -7.722 -3.435 -5.574 1.00 0.20 H new ATOM 0 HD22 LEU A 22 -7.678 -3.057 -3.835 1.00 0.20 H new ATOM 0 HD23 LEU A 22 -7.468 -4.736 -4.386 1.00 0.20 H new ATOM 339 N VAL A 23 -6.911 -5.386 -2.214 1.00 0.13 N ATOM 340 CA VAL A 23 -5.771 -5.233 -1.261 1.00 0.14 C ATOM 341 C VAL A 23 -4.814 -4.150 -1.761 1.00 0.13 C ATOM 342 O VAL A 23 -4.018 -4.371 -2.650 1.00 0.13 O ATOM 343 CB VAL A 23 -5.013 -6.558 -1.153 1.00 0.16 C ATOM 344 CG1 VAL A 23 -3.878 -6.411 -0.136 1.00 0.19 C ATOM 345 CG2 VAL A 23 -5.970 -7.663 -0.698 1.00 0.17 C ATOM 0 H VAL A 23 -6.689 -5.194 -3.191 1.00 0.13 H new ATOM 0 HA VAL A 23 -6.162 -4.949 -0.284 1.00 0.14 H new ATOM 0 HB VAL A 23 -4.599 -6.820 -2.126 1.00 0.16 H new ATOM 0 HG11 VAL A 23 -3.336 -7.353 -0.057 1.00 0.19 H new ATOM 0 HG12 VAL A 23 -3.196 -5.626 -0.463 1.00 0.19 H new ATOM 0 HG13 VAL A 23 -4.293 -6.148 0.837 1.00 0.19 H new ATOM 0 HG21 VAL A 23 -5.428 -8.605 -0.622 1.00 0.17 H new ATOM 0 HG22 VAL A 23 -6.387 -7.405 0.275 1.00 0.17 H new ATOM 0 HG23 VAL A 23 -6.777 -7.766 -1.423 1.00 0.17 H new ATOM 355 N VAL A 24 -4.883 -2.980 -1.183 1.00 0.14 N ATOM 356 CA VAL A 24 -3.973 -1.876 -1.606 1.00 0.14 C ATOM 357 C VAL A 24 -2.702 -1.922 -0.755 1.00 0.13 C ATOM 358 O VAL A 24 -2.637 -2.614 0.242 1.00 0.14 O ATOM 359 CB VAL A 24 -4.678 -0.531 -1.400 1.00 0.15 C ATOM 360 CG1 VAL A 24 -3.828 0.600 -1.990 1.00 0.16 C ATOM 361 CG2 VAL A 24 -6.039 -0.561 -2.099 1.00 0.19 C ATOM 0 H VAL A 24 -5.533 -2.741 -0.434 1.00 0.14 H new ATOM 0 HA VAL A 24 -3.714 -1.992 -2.658 1.00 0.14 H new ATOM 0 HB VAL A 24 -4.815 -0.357 -0.333 1.00 0.15 H new ATOM 0 HG11 VAL A 24 -4.336 1.553 -1.840 1.00 0.16 H new ATOM 0 HG12 VAL A 24 -2.858 0.623 -1.493 1.00 0.16 H new ATOM 0 HG13 VAL A 24 -3.685 0.429 -3.057 1.00 0.16 H new ATOM 0 HG21 VAL A 24 -6.543 0.394 -1.954 1.00 0.19 H new ATOM 0 HG22 VAL A 24 -5.897 -0.739 -3.165 1.00 0.19 H new ATOM 0 HG23 VAL A 24 -6.648 -1.360 -1.676 1.00 0.19 H new ATOM 371 N VAL A 25 -1.692 -1.189 -1.139 1.00 0.14 N ATOM 372 CA VAL A 25 -0.417 -1.180 -0.357 1.00 0.14 C ATOM 373 C VAL A 25 0.137 0.243 -0.338 1.00 0.17 C ATOM 374 O VAL A 25 -0.070 1.005 -1.260 1.00 0.29 O ATOM 375 CB VAL A 25 0.596 -2.109 -1.026 1.00 0.15 C ATOM 376 CG1 VAL A 25 1.849 -2.210 -0.155 1.00 0.17 C ATOM 377 CG2 VAL A 25 -0.019 -3.500 -1.197 1.00 0.13 C ATOM 0 H VAL A 25 -1.693 -0.592 -1.966 1.00 0.14 H new ATOM 0 HA VAL A 25 -0.603 -1.522 0.661 1.00 0.14 H new ATOM 0 HB VAL A 25 0.864 -1.708 -2.004 1.00 0.15 H new ATOM 0 HG11 VAL A 25 2.571 -2.872 -0.632 1.00 0.17 H new ATOM 0 HG12 VAL A 25 2.289 -1.220 -0.034 1.00 0.17 H new ATOM 0 HG13 VAL A 25 1.581 -2.610 0.823 1.00 0.17 H new ATOM 0 HG21 VAL A 25 0.704 -4.161 -1.674 1.00 0.13 H new ATOM 0 HG22 VAL A 25 -0.288 -3.901 -0.220 1.00 0.13 H new ATOM 0 HG23 VAL A 25 -0.911 -3.429 -1.819 1.00 0.13 H new ATOM 387 N ASP A 26 0.836 0.610 0.711 1.00 0.12 N ATOM 388 CA ASP A 26 1.408 1.994 0.803 1.00 0.13 C ATOM 389 C ASP A 26 2.929 1.918 0.947 1.00 0.12 C ATOM 390 O ASP A 26 3.448 1.479 1.954 1.00 0.13 O ATOM 391 CB ASP A 26 0.817 2.703 2.024 1.00 0.15 C ATOM 392 CG ASP A 26 1.512 4.052 2.225 1.00 0.18 C ATOM 393 OD1 ASP A 26 1.825 4.687 1.232 1.00 1.03 O ATOM 394 OD2 ASP A 26 1.719 4.425 3.368 1.00 0.94 O ATOM 0 H ASP A 26 1.036 0.009 1.510 1.00 0.12 H new ATOM 0 HA ASP A 26 1.161 2.549 -0.102 1.00 0.13 H new ATOM 0 HB2 ASP A 26 -0.254 2.852 1.887 1.00 0.15 H new ATOM 0 HB3 ASP A 26 0.942 2.083 2.912 1.00 0.15 H new ATOM 399 N PHE A 27 3.647 2.362 -0.053 1.00 0.13 N ATOM 400 CA PHE A 27 5.139 2.342 0.011 1.00 0.14 C ATOM 401 C PHE A 27 5.627 3.754 0.342 1.00 0.15 C ATOM 402 O PHE A 27 5.744 4.595 -0.527 1.00 0.17 O ATOM 403 CB PHE A 27 5.703 1.921 -1.348 1.00 0.15 C ATOM 404 CG PHE A 27 5.470 0.443 -1.563 1.00 0.15 C ATOM 405 CD1 PHE A 27 4.245 -0.008 -2.091 1.00 0.19 C ATOM 406 CD2 PHE A 27 6.481 -0.483 -1.240 1.00 0.17 C ATOM 407 CE1 PHE A 27 4.030 -1.385 -2.295 1.00 0.23 C ATOM 408 CE2 PHE A 27 6.265 -1.859 -1.445 1.00 0.20 C ATOM 409 CZ PHE A 27 5.041 -2.310 -1.972 1.00 0.22 C ATOM 0 H PHE A 27 3.260 2.740 -0.918 1.00 0.13 H new ATOM 0 HA PHE A 27 5.471 1.637 0.773 1.00 0.14 H new ATOM 0 HB2 PHE A 27 5.226 2.493 -2.143 1.00 0.15 H new ATOM 0 HB3 PHE A 27 6.770 2.141 -1.393 1.00 0.15 H new ATOM 0 HD1 PHE A 27 3.470 0.702 -2.340 1.00 0.19 H new ATOM 0 HD2 PHE A 27 7.421 -0.138 -0.835 1.00 0.17 H new ATOM 0 HE1 PHE A 27 3.090 -1.731 -2.699 1.00 0.23 H new ATOM 0 HE2 PHE A 27 7.040 -2.569 -1.197 1.00 0.20 H new ATOM 0 HZ PHE A 27 4.877 -3.366 -2.129 1.00 0.22 H new ATOM 419 N SER A 28 5.897 4.023 1.596 1.00 0.15 N ATOM 420 CA SER A 28 6.364 5.388 2.005 1.00 0.18 C ATOM 421 C SER A 28 7.812 5.316 2.485 1.00 0.17 C ATOM 422 O SER A 28 8.469 4.301 2.361 1.00 0.22 O ATOM 423 CB SER A 28 5.482 5.898 3.145 1.00 0.22 C ATOM 424 OG SER A 28 4.142 6.016 2.685 1.00 1.03 O ATOM 0 H SER A 28 5.814 3.352 2.360 1.00 0.15 H new ATOM 0 HA SER A 28 6.299 6.064 1.152 1.00 0.18 H new ATOM 0 HB2 SER A 28 5.529 5.213 3.991 1.00 0.22 H new ATOM 0 HB3 SER A 28 5.844 6.864 3.497 1.00 0.22 H new ATOM 0 HG SER A 28 3.570 5.393 3.180 1.00 1.03 H new ATOM 430 N ALA A 29 8.314 6.394 3.033 1.00 0.19 N ATOM 431 CA ALA A 29 9.724 6.420 3.529 1.00 0.27 C ATOM 432 C ALA A 29 9.757 7.083 4.909 1.00 0.31 C ATOM 433 O ALA A 29 9.482 8.259 5.051 1.00 0.36 O ATOM 434 CB ALA A 29 10.586 7.220 2.543 1.00 0.35 C ATOM 0 H ALA A 29 7.801 7.267 3.159 1.00 0.19 H new ATOM 0 HA ALA A 29 10.114 5.405 3.608 1.00 0.27 H new ATOM 0 HB1 ALA A 29 11.617 7.244 2.897 1.00 0.35 H new ATOM 0 HB2 ALA A 29 10.551 6.747 1.562 1.00 0.35 H new ATOM 0 HB3 ALA A 29 10.204 8.238 2.469 1.00 0.35 H new ATOM 440 N THR A 30 10.093 6.339 5.927 1.00 0.31 N ATOM 441 CA THR A 30 10.142 6.926 7.296 1.00 0.38 C ATOM 442 C THR A 30 11.292 7.935 7.378 1.00 0.43 C ATOM 443 O THR A 30 11.122 9.044 7.844 1.00 0.51 O ATOM 444 CB THR A 30 10.360 5.812 8.324 1.00 0.43 C ATOM 445 OG1 THR A 30 10.447 6.382 9.623 1.00 0.52 O ATOM 446 CG2 THR A 30 11.654 5.056 8.011 1.00 0.46 C ATOM 0 H THR A 30 10.336 5.350 5.870 1.00 0.31 H new ATOM 0 HA THR A 30 9.200 7.433 7.508 1.00 0.38 H new ATOM 0 HB THR A 30 9.522 5.116 8.282 1.00 0.43 H new ATOM 0 HG1 THR A 30 10.585 5.671 10.284 1.00 0.52 H new ATOM 0 HG21 THR A 30 11.801 4.266 8.747 1.00 0.46 H new ATOM 0 HG22 THR A 30 11.587 4.617 7.016 1.00 0.46 H new ATOM 0 HG23 THR A 30 12.497 5.747 8.047 1.00 0.46 H new ATOM 454 N TRP A 31 12.458 7.560 6.928 1.00 0.43 N ATOM 455 CA TRP A 31 13.613 8.501 6.980 1.00 0.50 C ATOM 456 C TRP A 31 13.228 9.818 6.304 1.00 0.48 C ATOM 457 O TRP A 31 13.803 10.855 6.568 1.00 0.53 O ATOM 458 CB TRP A 31 14.805 7.884 6.247 1.00 0.53 C ATOM 459 CG TRP A 31 14.390 7.504 4.862 1.00 0.48 C ATOM 460 CD1 TRP A 31 13.674 6.401 4.543 1.00 0.44 C ATOM 461 CD2 TRP A 31 14.645 8.206 3.611 1.00 0.51 C ATOM 462 NE1 TRP A 31 13.476 6.376 3.174 1.00 0.43 N ATOM 463 CE2 TRP A 31 14.052 7.466 2.553 1.00 0.47 C ATOM 464 CE3 TRP A 31 15.327 9.403 3.291 1.00 0.58 C ATOM 465 CZ2 TRP A 31 14.133 7.898 1.222 1.00 0.49 C ATOM 466 CZ3 TRP A 31 15.410 9.842 1.951 1.00 0.61 C ATOM 467 CH2 TRP A 31 14.813 9.090 0.920 1.00 0.56 C ATOM 0 H TRP A 31 12.661 6.644 6.527 1.00 0.43 H new ATOM 0 HA TRP A 31 13.882 8.690 8.019 1.00 0.50 H new ATOM 0 HB2 TRP A 31 15.631 8.594 6.210 1.00 0.53 H new ATOM 0 HB3 TRP A 31 15.163 7.007 6.785 1.00 0.53 H new ATOM 0 HD1 TRP A 31 13.316 5.661 5.243 1.00 0.44 H new ATOM 0 HE1 TRP A 31 12.966 5.641 2.683 1.00 0.43 H new ATOM 0 HE3 TRP A 31 15.787 9.985 4.076 1.00 0.58 H new ATOM 0 HZ2 TRP A 31 13.676 7.318 0.434 1.00 0.49 H new ATOM 0 HZ3 TRP A 31 15.933 10.757 1.716 1.00 0.61 H new ATOM 0 HH2 TRP A 31 14.878 9.430 -0.103 1.00 0.56 H new ATOM 478 N CYS A 32 12.257 9.784 5.430 1.00 0.43 N ATOM 479 CA CYS A 32 11.829 11.032 4.731 1.00 0.42 C ATOM 480 C CYS A 32 10.771 11.747 5.574 1.00 0.41 C ATOM 481 O CYS A 32 10.115 11.148 6.403 1.00 0.41 O ATOM 482 CB CYS A 32 11.243 10.668 3.364 1.00 0.40 C ATOM 483 SG CYS A 32 10.366 12.095 2.676 1.00 0.41 S ATOM 0 H CYS A 32 11.741 8.944 5.169 1.00 0.43 H new ATOM 0 HA CYS A 32 12.686 11.692 4.594 1.00 0.42 H new ATOM 0 HB2 CYS A 32 12.039 10.357 2.687 1.00 0.40 H new ATOM 0 HB3 CYS A 32 10.561 9.823 3.463 1.00 0.40 H new ATOM 0 HG CYS A 32 9.761 11.745 1.580 1.00 0.41 H new ATOM 489 N GLY A 33 10.610 13.030 5.378 1.00 0.45 N ATOM 490 CA GLY A 33 9.603 13.800 6.172 1.00 0.46 C ATOM 491 C GLY A 33 8.282 13.920 5.394 1.00 0.40 C ATOM 492 O GLY A 33 7.284 13.361 5.804 1.00 0.37 O ATOM 0 H GLY A 33 11.135 13.581 4.699 1.00 0.45 H new ATOM 0 HA2 GLY A 33 9.426 13.303 7.126 1.00 0.46 H new ATOM 0 HA3 GLY A 33 9.991 14.793 6.397 1.00 0.46 H new ATOM 496 N PRO A 34 8.301 14.653 4.298 1.00 0.43 N ATOM 497 CA PRO A 34 7.088 14.849 3.479 1.00 0.42 C ATOM 498 C PRO A 34 6.479 13.494 3.082 1.00 0.38 C ATOM 499 O PRO A 34 5.290 13.280 3.213 1.00 0.40 O ATOM 500 CB PRO A 34 7.566 15.646 2.242 1.00 0.50 C ATOM 501 CG PRO A 34 9.073 15.978 2.452 1.00 0.54 C ATOM 502 CD PRO A 34 9.511 15.334 3.787 1.00 0.50 C ATOM 0 HA PRO A 34 6.304 15.382 4.016 1.00 0.42 H new ATOM 0 HB2 PRO A 34 7.425 15.062 1.332 1.00 0.50 H new ATOM 0 HB3 PRO A 34 6.984 16.561 2.127 1.00 0.50 H new ATOM 0 HG2 PRO A 34 9.669 15.590 1.626 1.00 0.54 H new ATOM 0 HG3 PRO A 34 9.228 17.057 2.478 1.00 0.54 H new ATOM 0 HD2 PRO A 34 10.327 14.628 3.636 1.00 0.50 H new ATOM 0 HD3 PRO A 34 9.867 16.087 4.490 1.00 0.50 H new ATOM 510 N CYS A 35 7.276 12.583 2.596 1.00 0.38 N ATOM 511 CA CYS A 35 6.725 11.259 2.193 1.00 0.38 C ATOM 512 C CYS A 35 6.168 10.541 3.424 1.00 0.41 C ATOM 513 O CYS A 35 5.465 9.555 3.315 1.00 0.81 O ATOM 514 CB CYS A 35 7.832 10.411 1.564 1.00 0.45 C ATOM 515 SG CYS A 35 8.661 11.367 0.269 1.00 0.52 S ATOM 0 H CYS A 35 8.281 12.697 2.461 1.00 0.38 H new ATOM 0 HA CYS A 35 5.926 11.407 1.466 1.00 0.38 H new ATOM 0 HB2 CYS A 35 8.551 10.110 2.326 1.00 0.45 H new ATOM 0 HB3 CYS A 35 7.411 9.498 1.144 1.00 0.45 H new ATOM 0 HG CYS A 35 9.604 10.648 -0.265 1.00 0.52 H new ATOM 521 N LYS A 36 6.476 11.028 4.598 1.00 0.35 N ATOM 522 CA LYS A 36 5.968 10.379 5.846 1.00 0.33 C ATOM 523 C LYS A 36 4.728 11.126 6.343 1.00 0.27 C ATOM 524 O LYS A 36 3.859 10.558 6.974 1.00 0.28 O ATOM 525 CB LYS A 36 7.056 10.434 6.921 1.00 0.41 C ATOM 526 CG LYS A 36 6.684 9.497 8.075 1.00 0.48 C ATOM 527 CD LYS A 36 7.826 9.445 9.106 1.00 0.58 C ATOM 528 CE LYS A 36 7.744 10.650 10.050 1.00 1.11 C ATOM 529 NZ LYS A 36 6.411 10.673 10.717 1.00 1.82 N ATOM 0 H LYS A 36 7.060 11.851 4.748 1.00 0.35 H new ATOM 0 HA LYS A 36 5.708 9.341 5.637 1.00 0.33 H new ATOM 0 HB2 LYS A 36 8.016 10.141 6.496 1.00 0.41 H new ATOM 0 HB3 LYS A 36 7.167 11.454 7.289 1.00 0.41 H new ATOM 0 HG2 LYS A 36 5.768 9.843 8.553 1.00 0.48 H new ATOM 0 HG3 LYS A 36 6.485 8.496 7.691 1.00 0.48 H new ATOM 0 HD2 LYS A 36 7.766 8.520 9.680 1.00 0.58 H new ATOM 0 HD3 LYS A 36 8.788 9.440 8.594 1.00 0.58 H new ATOM 0 HE2 LYS A 36 8.535 10.593 10.798 1.00 1.11 H new ATOM 0 HE3 LYS A 36 7.899 11.573 9.492 1.00 1.11 H new ATOM 0 HZ1 LYS A 36 6.507 11.077 11.670 1.00 1.82 H new ATOM 0 HZ2 LYS A 36 5.754 11.254 10.159 1.00 1.82 H new ATOM 0 HZ3 LYS A 36 6.041 9.703 10.787 1.00 1.82 H new ATOM 543 N MET A 37 4.640 12.399 6.068 1.00 0.26 N ATOM 544 CA MET A 37 3.459 13.183 6.528 1.00 0.25 C ATOM 545 C MET A 37 2.225 12.786 5.711 1.00 0.22 C ATOM 546 O MET A 37 1.138 13.278 5.936 1.00 0.22 O ATOM 547 CB MET A 37 3.740 14.679 6.340 1.00 0.31 C ATOM 548 CG MET A 37 2.590 15.505 6.924 1.00 1.21 C ATOM 549 SD MET A 37 3.161 17.196 7.227 1.00 1.93 S ATOM 550 CE MET A 37 1.530 17.961 7.393 1.00 2.78 C ATOM 0 H MET A 37 5.336 12.930 5.544 1.00 0.26 H new ATOM 0 HA MET A 37 3.273 12.975 7.582 1.00 0.25 H new ATOM 0 HB2 MET A 37 4.676 14.946 6.830 1.00 0.31 H new ATOM 0 HB3 MET A 37 3.859 14.905 5.280 1.00 0.31 H new ATOM 0 HG2 MET A 37 1.746 15.512 6.235 1.00 1.21 H new ATOM 0 HG3 MET A 37 2.239 15.055 7.853 1.00 1.21 H new ATOM 0 HE1 MET A 37 1.646 19.027 7.588 1.00 2.78 H new ATOM 0 HE2 MET A 37 0.966 17.820 6.471 1.00 2.78 H new ATOM 0 HE3 MET A 37 0.993 17.497 8.221 1.00 2.78 H new ATOM 560 N ILE A 38 2.388 11.899 4.763 1.00 0.21 N ATOM 561 CA ILE A 38 1.231 11.459 3.921 1.00 0.19 C ATOM 562 C ILE A 38 0.695 10.120 4.448 1.00 0.19 C ATOM 563 O ILE A 38 -0.191 9.523 3.871 1.00 0.20 O ATOM 564 CB ILE A 38 1.705 11.328 2.460 1.00 0.21 C ATOM 565 CG1 ILE A 38 1.865 12.743 1.873 1.00 0.24 C ATOM 566 CG2 ILE A 38 0.688 10.529 1.628 1.00 0.22 C ATOM 567 CD1 ILE A 38 2.523 12.694 0.479 1.00 0.28 C ATOM 0 H ILE A 38 3.278 11.457 4.533 1.00 0.21 H new ATOM 0 HA ILE A 38 0.424 12.191 3.967 1.00 0.19 H new ATOM 0 HB ILE A 38 2.656 10.796 2.432 1.00 0.21 H new ATOM 0 HG12 ILE A 38 0.889 13.223 1.801 1.00 0.24 H new ATOM 0 HG13 ILE A 38 2.471 13.352 2.544 1.00 0.24 H new ATOM 0 HG21 ILE A 38 1.042 10.448 0.600 1.00 0.22 H new ATOM 0 HG22 ILE A 38 0.575 9.531 2.052 1.00 0.22 H new ATOM 0 HG23 ILE A 38 -0.275 11.040 1.641 1.00 0.22 H new ATOM 0 HD11 ILE A 38 2.624 13.707 0.088 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.509 12.236 0.558 1.00 0.28 H new ATOM 0 HD13 ILE A 38 1.902 12.105 -0.196 1.00 0.28 H new ATOM 579 N LYS A 39 1.205 9.643 5.560 1.00 0.21 N ATOM 580 CA LYS A 39 0.692 8.351 6.101 1.00 0.23 C ATOM 581 C LYS A 39 -0.637 8.525 6.878 1.00 0.22 C ATOM 582 O LYS A 39 -1.408 7.590 6.916 1.00 0.25 O ATOM 583 CB LYS A 39 1.763 7.642 6.970 1.00 0.29 C ATOM 584 CG LYS A 39 1.913 8.264 8.378 1.00 0.31 C ATOM 585 CD LYS A 39 2.572 7.245 9.317 1.00 0.45 C ATOM 586 CE LYS A 39 3.888 6.760 8.707 1.00 1.12 C ATOM 587 NZ LYS A 39 4.671 6.022 9.738 1.00 1.56 N ATOM 0 H LYS A 39 1.943 10.087 6.106 1.00 0.21 H new ATOM 0 HA LYS A 39 0.476 7.713 5.245 1.00 0.23 H new ATOM 0 HB2 LYS A 39 1.501 6.589 7.071 1.00 0.29 H new ATOM 0 HB3 LYS A 39 2.724 7.684 6.457 1.00 0.29 H new ATOM 0 HG2 LYS A 39 2.517 9.170 8.325 1.00 0.31 H new ATOM 0 HG3 LYS A 39 0.936 8.554 8.766 1.00 0.31 H new ATOM 0 HD2 LYS A 39 2.757 7.699 10.291 1.00 0.45 H new ATOM 0 HD3 LYS A 39 1.903 6.401 9.481 1.00 0.45 H new ATOM 0 HE2 LYS A 39 3.689 6.112 7.854 1.00 1.12 H new ATOM 0 HE3 LYS A 39 4.464 7.608 8.336 1.00 1.12 H new ATOM 0 HZ1 LYS A 39 5.566 5.692 9.324 1.00 1.56 H new ATOM 0 HZ2 LYS A 39 4.872 6.654 10.539 1.00 1.56 H new ATOM 0 HZ3 LYS A 39 4.122 5.204 10.072 1.00 1.56 H new ATOM 601 N PRO A 40 -0.903 9.680 7.484 1.00 0.21 N ATOM 602 CA PRO A 40 -2.162 9.851 8.231 1.00 0.23 C ATOM 603 C PRO A 40 -3.328 9.852 7.237 1.00 0.21 C ATOM 604 O PRO A 40 -4.475 9.715 7.605 1.00 0.24 O ATOM 605 CB PRO A 40 -2.024 11.213 8.954 1.00 0.26 C ATOM 606 CG PRO A 40 -0.639 11.802 8.563 1.00 0.28 C ATOM 607 CD PRO A 40 -0.034 10.878 7.485 1.00 0.23 C ATOM 0 HA PRO A 40 -2.352 9.054 8.949 1.00 0.23 H new ATOM 0 HB2 PRO A 40 -2.827 11.889 8.659 1.00 0.26 H new ATOM 0 HB3 PRO A 40 -2.097 11.085 10.034 1.00 0.26 H new ATOM 0 HG2 PRO A 40 -0.747 12.817 8.182 1.00 0.28 H new ATOM 0 HG3 PRO A 40 0.015 11.856 9.433 1.00 0.28 H new ATOM 0 HD2 PRO A 40 -0.026 11.362 6.508 1.00 0.23 H new ATOM 0 HD3 PRO A 40 0.998 10.618 7.720 1.00 0.23 H new ATOM 615 N PHE A 41 -3.027 9.998 5.975 1.00 0.18 N ATOM 616 CA PHE A 41 -4.095 9.999 4.941 1.00 0.18 C ATOM 617 C PHE A 41 -4.392 8.552 4.541 1.00 0.16 C ATOM 618 O PHE A 41 -5.505 8.081 4.647 1.00 0.17 O ATOM 619 CB PHE A 41 -3.604 10.790 3.719 1.00 0.19 C ATOM 620 CG PHE A 41 -3.742 12.272 3.983 1.00 0.23 C ATOM 621 CD1 PHE A 41 -4.943 12.934 3.664 1.00 0.28 C ATOM 622 CD2 PHE A 41 -2.670 12.990 4.546 1.00 0.28 C ATOM 623 CE1 PHE A 41 -5.072 14.315 3.910 1.00 0.33 C ATOM 624 CE2 PHE A 41 -2.798 14.370 4.792 1.00 0.33 C ATOM 625 CZ PHE A 41 -3.999 15.033 4.474 1.00 0.33 C ATOM 0 H PHE A 41 -2.080 10.117 5.616 1.00 0.18 H new ATOM 0 HA PHE A 41 -5.002 10.462 5.329 1.00 0.18 H new ATOM 0 HB2 PHE A 41 -2.563 10.544 3.508 1.00 0.19 H new ATOM 0 HB3 PHE A 41 -4.182 10.512 2.838 1.00 0.19 H new ATOM 0 HD1 PHE A 41 -5.765 12.383 3.231 1.00 0.28 H new ATOM 0 HD2 PHE A 41 -1.749 12.482 4.789 1.00 0.28 H new ATOM 0 HE1 PHE A 41 -5.993 14.823 3.666 1.00 0.33 H new ATOM 0 HE2 PHE A 41 -1.975 14.920 5.224 1.00 0.33 H new ATOM 0 HZ PHE A 41 -4.098 16.092 4.662 1.00 0.33 H new ATOM 635 N PHE A 42 -3.398 7.846 4.084 1.00 0.15 N ATOM 636 CA PHE A 42 -3.604 6.428 3.678 1.00 0.15 C ATOM 637 C PHE A 42 -4.093 5.601 4.874 1.00 0.15 C ATOM 638 O PHE A 42 -5.024 4.828 4.769 1.00 0.15 O ATOM 639 CB PHE A 42 -2.279 5.859 3.171 1.00 0.16 C ATOM 640 CG PHE A 42 -2.459 4.412 2.786 1.00 0.17 C ATOM 641 CD1 PHE A 42 -3.008 4.080 1.532 1.00 0.20 C ATOM 642 CD2 PHE A 42 -2.070 3.393 3.677 1.00 0.18 C ATOM 643 CE1 PHE A 42 -3.170 2.730 1.170 1.00 0.22 C ATOM 644 CE2 PHE A 42 -2.232 2.042 3.315 1.00 0.21 C ATOM 645 CZ PHE A 42 -2.782 1.711 2.061 1.00 0.22 C ATOM 0 H PHE A 42 -2.445 8.192 3.973 1.00 0.15 H new ATOM 0 HA PHE A 42 -4.355 6.383 2.889 1.00 0.15 H new ATOM 0 HB2 PHE A 42 -1.931 6.433 2.312 1.00 0.16 H new ATOM 0 HB3 PHE A 42 -1.515 5.947 3.944 1.00 0.16 H new ATOM 0 HD1 PHE A 42 -3.305 4.862 0.848 1.00 0.20 H new ATOM 0 HD2 PHE A 42 -1.648 3.648 4.638 1.00 0.18 H new ATOM 0 HE1 PHE A 42 -3.592 2.475 0.209 1.00 0.22 H new ATOM 0 HE2 PHE A 42 -1.935 1.260 3.998 1.00 0.21 H new ATOM 0 HZ PHE A 42 -2.906 0.675 1.783 1.00 0.22 H new ATOM 655 N HIS A 43 -3.459 5.746 6.008 1.00 0.17 N ATOM 656 CA HIS A 43 -3.872 4.957 7.208 1.00 0.20 C ATOM 657 C HIS A 43 -5.310 5.319 7.612 1.00 0.19 C ATOM 658 O HIS A 43 -6.016 4.510 8.182 1.00 0.21 O ATOM 659 CB HIS A 43 -2.886 5.244 8.357 1.00 0.25 C ATOM 660 CG HIS A 43 -3.479 4.856 9.685 1.00 0.27 C ATOM 661 ND1 HIS A 43 -4.347 5.511 10.519 1.00 0.35 N flip ATOM 662 CD2 HIS A 43 -3.207 3.642 10.296 1.00 0.29 C flip ATOM 663 CE1 HIS A 43 -4.615 4.719 11.632 1.00 0.39 C flip ATOM 664 NE2 HIS A 43 -3.903 3.604 11.447 1.00 0.36 N flip ATOM 0 H HIS A 43 -2.672 6.377 6.156 1.00 0.17 H new ATOM 0 HA HIS A 43 -3.850 3.892 6.978 1.00 0.20 H new ATOM 0 HB2 HIS A 43 -1.960 4.693 8.193 1.00 0.25 H new ATOM 0 HB3 HIS A 43 -2.629 6.303 8.365 1.00 0.25 H new ATOM 0 HD2 HIS A 43 -2.556 2.868 9.918 1.00 0.29 H new ATOM 0 HE1 HIS A 43 -5.260 4.955 12.466 1.00 0.39 H new ATOM 0 HE2 HIS A 43 -3.889 2.819 12.099 1.00 0.36 H new ATOM 672 N SER A 44 -5.755 6.512 7.328 1.00 0.21 N ATOM 673 CA SER A 44 -7.150 6.884 7.711 1.00 0.24 C ATOM 674 C SER A 44 -8.141 6.071 6.874 1.00 0.21 C ATOM 675 O SER A 44 -9.213 5.725 7.327 1.00 0.22 O ATOM 676 CB SER A 44 -7.383 8.375 7.467 1.00 0.31 C ATOM 677 OG SER A 44 -7.286 8.647 6.076 1.00 0.98 O ATOM 0 H SER A 44 -5.221 7.240 6.853 1.00 0.21 H new ATOM 0 HA SER A 44 -7.298 6.669 8.769 1.00 0.24 H new ATOM 0 HB2 SER A 44 -8.366 8.666 7.838 1.00 0.31 H new ATOM 0 HB3 SER A 44 -6.648 8.964 8.016 1.00 0.31 H new ATOM 0 HG SER A 44 -6.436 8.300 5.733 1.00 0.98 H new ATOM 683 N LEU A 45 -7.787 5.760 5.655 1.00 0.20 N ATOM 684 CA LEU A 45 -8.710 4.966 4.793 1.00 0.21 C ATOM 685 C LEU A 45 -9.041 3.645 5.488 1.00 0.20 C ATOM 686 O LEU A 45 -10.121 3.109 5.349 1.00 0.26 O ATOM 687 CB LEU A 45 -8.032 4.673 3.452 1.00 0.24 C ATOM 688 CG LEU A 45 -7.383 5.950 2.908 1.00 0.27 C ATOM 689 CD1 LEU A 45 -6.827 5.682 1.508 1.00 0.36 C ATOM 690 CD2 LEU A 45 -8.429 7.070 2.839 1.00 0.50 C ATOM 0 H LEU A 45 -6.902 6.021 5.220 1.00 0.20 H new ATOM 0 HA LEU A 45 -9.626 5.533 4.623 1.00 0.21 H new ATOM 0 HB2 LEU A 45 -7.278 3.896 3.578 1.00 0.24 H new ATOM 0 HB3 LEU A 45 -8.764 4.294 2.739 1.00 0.24 H new ATOM 0 HG LEU A 45 -6.572 6.254 3.569 1.00 0.27 H new ATOM 0 HD11 LEU A 45 -6.365 6.590 1.120 1.00 0.36 H new ATOM 0 HD12 LEU A 45 -6.081 4.888 1.558 1.00 0.36 H new ATOM 0 HD13 LEU A 45 -7.638 5.376 0.847 1.00 0.36 H new ATOM 0 HD21 LEU A 45 -7.965 7.977 2.452 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -9.242 6.768 2.179 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -8.823 7.261 3.837 1.00 0.50 H new ATOM 702 N SER A 46 -8.109 3.113 6.225 1.00 0.25 N ATOM 703 CA SER A 46 -8.343 1.821 6.926 1.00 0.29 C ATOM 704 C SER A 46 -9.657 1.867 7.713 1.00 0.22 C ATOM 705 O SER A 46 -10.410 0.914 7.733 1.00 0.24 O ATOM 706 CB SER A 46 -7.181 1.562 7.883 1.00 0.41 C ATOM 707 OG SER A 46 -5.968 1.959 7.258 1.00 0.64 O ATOM 0 H SER A 46 -7.186 3.521 6.373 1.00 0.25 H new ATOM 0 HA SER A 46 -8.409 1.020 6.190 1.00 0.29 H new ATOM 0 HB2 SER A 46 -7.326 2.117 8.810 1.00 0.41 H new ATOM 0 HB3 SER A 46 -7.140 0.505 8.147 1.00 0.41 H new ATOM 0 HG SER A 46 -5.717 2.854 7.570 1.00 0.64 H new ATOM 713 N GLU A 47 -9.932 2.959 8.375 1.00 0.28 N ATOM 714 CA GLU A 47 -11.190 3.051 9.174 1.00 0.33 C ATOM 715 C GLU A 47 -12.339 3.554 8.295 1.00 0.27 C ATOM 716 O GLU A 47 -13.497 3.386 8.620 1.00 0.28 O ATOM 717 CB GLU A 47 -10.980 4.024 10.336 1.00 0.50 C ATOM 718 CG GLU A 47 -9.798 3.556 11.188 1.00 0.64 C ATOM 719 CD GLU A 47 -9.506 4.594 12.272 1.00 1.37 C ATOM 720 OE1 GLU A 47 -10.420 5.317 12.633 1.00 2.06 O ATOM 721 OE2 GLU A 47 -8.373 4.649 12.722 1.00 2.06 O ATOM 0 H GLU A 47 -9.341 3.790 8.398 1.00 0.28 H new ATOM 0 HA GLU A 47 -11.442 2.062 9.557 1.00 0.33 H new ATOM 0 HB2 GLU A 47 -10.792 5.027 9.954 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -11.882 4.079 10.946 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -10.024 2.592 11.644 1.00 0.64 H new ATOM 0 HG3 GLU A 47 -8.918 3.413 10.561 1.00 0.64 H new ATOM 728 N LYS A 48 -12.033 4.176 7.188 1.00 0.25 N ATOM 729 CA LYS A 48 -13.112 4.693 6.298 1.00 0.25 C ATOM 730 C LYS A 48 -13.602 3.578 5.370 1.00 0.20 C ATOM 731 O LYS A 48 -14.729 3.592 4.914 1.00 0.24 O ATOM 732 CB LYS A 48 -12.562 5.856 5.460 1.00 0.31 C ATOM 733 CG LYS A 48 -13.722 6.682 4.871 1.00 0.36 C ATOM 734 CD LYS A 48 -14.192 7.739 5.881 1.00 0.88 C ATOM 735 CE LYS A 48 -15.239 8.641 5.225 1.00 1.37 C ATOM 736 NZ LYS A 48 -14.663 9.258 3.997 1.00 2.25 N ATOM 0 H LYS A 48 -11.082 4.348 6.862 1.00 0.25 H new ATOM 0 HA LYS A 48 -13.947 5.041 6.906 1.00 0.25 H new ATOM 0 HB2 LYS A 48 -11.930 6.493 6.079 1.00 0.31 H new ATOM 0 HB3 LYS A 48 -11.936 5.470 4.656 1.00 0.31 H new ATOM 0 HG2 LYS A 48 -13.400 7.168 3.950 1.00 0.36 H new ATOM 0 HG3 LYS A 48 -14.551 6.024 4.612 1.00 0.36 H new ATOM 0 HD2 LYS A 48 -14.614 7.254 6.761 1.00 0.88 H new ATOM 0 HD3 LYS A 48 -13.345 8.335 6.221 1.00 0.88 H new ATOM 0 HE2 LYS A 48 -16.127 8.061 4.972 1.00 1.37 H new ATOM 0 HE3 LYS A 48 -15.554 9.418 5.922 1.00 1.37 H new ATOM 0 HZ1 LYS A 48 -14.998 10.239 3.912 1.00 2.25 H new ATOM 0 HZ2 LYS A 48 -13.625 9.250 4.059 1.00 2.25 H new ATOM 0 HZ3 LYS A 48 -14.964 8.716 3.162 1.00 2.25 H new ATOM 750 N TYR A 49 -12.760 2.615 5.084 1.00 0.21 N ATOM 751 CA TYR A 49 -13.160 1.487 4.180 1.00 0.20 C ATOM 752 C TYR A 49 -12.832 0.154 4.854 1.00 0.20 C ATOM 753 O TYR A 49 -11.859 -0.496 4.525 1.00 0.20 O ATOM 754 CB TYR A 49 -12.381 1.595 2.866 1.00 0.23 C ATOM 755 CG TYR A 49 -12.851 2.809 2.099 1.00 0.25 C ATOM 756 CD1 TYR A 49 -14.090 2.784 1.432 1.00 0.30 C ATOM 757 CD2 TYR A 49 -12.049 3.968 2.051 1.00 0.28 C ATOM 758 CE1 TYR A 49 -14.529 3.915 0.717 1.00 0.34 C ATOM 759 CE2 TYR A 49 -12.488 5.098 1.336 1.00 0.33 C ATOM 760 CZ TYR A 49 -13.728 5.073 0.668 1.00 0.34 C ATOM 761 OH TYR A 49 -14.158 6.181 -0.032 1.00 0.40 O ATOM 0 H TYR A 49 -11.806 2.560 5.440 1.00 0.21 H new ATOM 0 HA TYR A 49 -14.230 1.540 3.980 1.00 0.20 H new ATOM 0 HB2 TYR A 49 -11.313 1.671 3.070 1.00 0.23 H new ATOM 0 HB3 TYR A 49 -12.528 0.695 2.269 1.00 0.23 H new ATOM 0 HD1 TYR A 49 -14.705 1.897 1.469 1.00 0.30 H new ATOM 0 HD2 TYR A 49 -11.098 3.988 2.563 1.00 0.28 H new ATOM 0 HE1 TYR A 49 -15.480 3.895 0.206 1.00 0.34 H new ATOM 0 HE2 TYR A 49 -11.873 5.985 1.299 1.00 0.33 H new ATOM 0 HH TYR A 49 -13.487 6.892 0.037 1.00 0.40 H new ATOM 771 N SER A 50 -13.636 -0.259 5.794 1.00 0.24 N ATOM 772 CA SER A 50 -13.370 -1.552 6.488 1.00 0.28 C ATOM 773 C SER A 50 -13.595 -2.712 5.516 1.00 0.29 C ATOM 774 O SER A 50 -13.390 -3.862 5.851 1.00 0.33 O ATOM 775 CB SER A 50 -14.318 -1.697 7.677 1.00 0.34 C ATOM 776 OG SER A 50 -15.638 -1.363 7.269 1.00 0.36 O ATOM 0 H SER A 50 -14.466 0.242 6.112 1.00 0.24 H new ATOM 0 HA SER A 50 -12.338 -1.567 6.839 1.00 0.28 H new ATOM 0 HB2 SER A 50 -14.290 -2.718 8.057 1.00 0.34 H new ATOM 0 HB3 SER A 50 -14.001 -1.045 8.491 1.00 0.34 H new ATOM 0 HG SER A 50 -16.249 -1.457 8.029 1.00 0.36 H new ATOM 782 N ASN A 51 -14.014 -2.421 4.312 1.00 0.28 N ATOM 783 CA ASN A 51 -14.255 -3.505 3.310 1.00 0.32 C ATOM 784 C ASN A 51 -13.037 -3.622 2.395 1.00 0.27 C ATOM 785 O ASN A 51 -13.063 -4.312 1.396 1.00 0.30 O ATOM 786 CB ASN A 51 -15.487 -3.152 2.474 1.00 0.36 C ATOM 787 CG ASN A 51 -15.681 -4.203 1.379 1.00 0.43 C ATOM 788 OD1 ASN A 51 -15.516 -5.384 1.616 1.00 0.81 O ATOM 789 ND2 ASN A 51 -16.026 -3.821 0.179 1.00 0.56 N ATOM 0 H ASN A 51 -14.201 -1.476 3.977 1.00 0.28 H new ATOM 0 HA ASN A 51 -14.420 -4.453 3.823 1.00 0.32 H new ATOM 0 HB2 ASN A 51 -16.371 -3.108 3.111 1.00 0.36 H new ATOM 0 HB3 ASN A 51 -15.366 -2.165 2.028 1.00 0.36 H new ATOM 0 HD21 ASN A 51 -16.157 -4.513 -0.559 1.00 0.56 H new ATOM 0 HD22 ASN A 51 -16.165 -2.830 -0.021 1.00 0.56 H new ATOM 796 N VAL A 52 -11.965 -2.949 2.735 1.00 0.23 N ATOM 797 CA VAL A 52 -10.724 -3.007 1.898 1.00 0.20 C ATOM 798 C VAL A 52 -9.520 -3.291 2.798 1.00 0.19 C ATOM 799 O VAL A 52 -9.473 -2.871 3.938 1.00 0.22 O ATOM 800 CB VAL A 52 -10.530 -1.665 1.188 1.00 0.21 C ATOM 801 CG1 VAL A 52 -9.183 -1.654 0.462 1.00 0.22 C ATOM 802 CG2 VAL A 52 -11.655 -1.464 0.169 1.00 0.23 C ATOM 0 H VAL A 52 -11.895 -2.357 3.563 1.00 0.23 H new ATOM 0 HA VAL A 52 -10.817 -3.800 1.156 1.00 0.20 H new ATOM 0 HB VAL A 52 -10.550 -0.861 1.924 1.00 0.21 H new ATOM 0 HG11 VAL A 52 -9.049 -0.697 -0.042 1.00 0.22 H new ATOM 0 HG12 VAL A 52 -8.379 -1.800 1.184 1.00 0.22 H new ATOM 0 HG13 VAL A 52 -9.160 -2.458 -0.274 1.00 0.22 H new ATOM 0 HG21 VAL A 52 -11.520 -0.509 -0.339 1.00 0.23 H new ATOM 0 HG22 VAL A 52 -11.631 -2.271 -0.564 1.00 0.23 H new ATOM 0 HG23 VAL A 52 -12.616 -1.469 0.683 1.00 0.23 H new ATOM 812 N ILE A 53 -8.543 -4.004 2.295 1.00 0.17 N ATOM 813 CA ILE A 53 -7.333 -4.321 3.119 1.00 0.17 C ATOM 814 C ILE A 53 -6.220 -3.333 2.751 1.00 0.17 C ATOM 815 O ILE A 53 -5.931 -3.122 1.591 1.00 0.27 O ATOM 816 CB ILE A 53 -6.874 -5.759 2.814 1.00 0.17 C ATOM 817 CG1 ILE A 53 -8.099 -6.681 2.647 1.00 0.17 C ATOM 818 CG2 ILE A 53 -5.960 -6.283 3.935 1.00 0.19 C ATOM 819 CD1 ILE A 53 -9.018 -6.609 3.873 1.00 0.19 C ATOM 0 H ILE A 53 -8.530 -4.381 1.347 1.00 0.17 H new ATOM 0 HA ILE A 53 -7.565 -4.238 4.181 1.00 0.17 H new ATOM 0 HB ILE A 53 -6.307 -5.754 1.883 1.00 0.17 H new ATOM 0 HG12 ILE A 53 -8.655 -6.393 1.755 1.00 0.17 H new ATOM 0 HG13 ILE A 53 -7.767 -7.708 2.498 1.00 0.17 H new ATOM 0 HG21 ILE A 53 -5.646 -7.300 3.702 1.00 0.19 H new ATOM 0 HG22 ILE A 53 -5.082 -5.642 4.018 1.00 0.19 H new ATOM 0 HG23 ILE A 53 -6.504 -6.278 4.880 1.00 0.19 H new ATOM 0 HD11 ILE A 53 -9.873 -7.269 3.726 1.00 0.19 H new ATOM 0 HD12 ILE A 53 -8.466 -6.921 4.760 1.00 0.19 H new ATOM 0 HD13 ILE A 53 -9.369 -5.585 4.005 1.00 0.19 H new ATOM 831 N PHE A 54 -5.603 -2.720 3.735 1.00 0.14 N ATOM 832 CA PHE A 54 -4.511 -1.729 3.457 1.00 0.13 C ATOM 833 C PHE A 54 -3.217 -2.172 4.147 1.00 0.14 C ATOM 834 O PHE A 54 -3.200 -2.461 5.326 1.00 0.18 O ATOM 835 CB PHE A 54 -4.932 -0.362 4.004 1.00 0.15 C ATOM 836 CG PHE A 54 -6.215 0.077 3.343 1.00 0.14 C ATOM 837 CD1 PHE A 54 -6.179 0.747 2.105 1.00 0.15 C ATOM 838 CD2 PHE A 54 -7.448 -0.179 3.969 1.00 0.15 C ATOM 839 CE1 PHE A 54 -7.377 1.161 1.493 1.00 0.16 C ATOM 840 CE2 PHE A 54 -8.647 0.236 3.358 1.00 0.15 C ATOM 841 CZ PHE A 54 -8.611 0.905 2.119 1.00 0.15 C ATOM 0 H PHE A 54 -5.810 -2.864 4.723 1.00 0.14 H new ATOM 0 HA PHE A 54 -4.340 -1.667 2.382 1.00 0.13 H new ATOM 0 HB2 PHE A 54 -5.069 -0.418 5.084 1.00 0.15 H new ATOM 0 HB3 PHE A 54 -4.147 0.372 3.820 1.00 0.15 H new ATOM 0 HD1 PHE A 54 -5.232 0.943 1.625 1.00 0.15 H new ATOM 0 HD2 PHE A 54 -7.475 -0.694 4.918 1.00 0.15 H new ATOM 0 HE1 PHE A 54 -7.349 1.675 0.543 1.00 0.16 H new ATOM 0 HE2 PHE A 54 -9.594 0.041 3.839 1.00 0.15 H new ATOM 0 HZ PHE A 54 -9.531 1.222 1.649 1.00 0.15 H new ATOM 851 N LEU A 55 -2.130 -2.218 3.414 1.00 0.12 N ATOM 852 CA LEU A 55 -0.816 -2.631 4.007 1.00 0.13 C ATOM 853 C LEU A 55 0.089 -1.400 4.120 1.00 0.13 C ATOM 854 O LEU A 55 -0.228 -0.336 3.626 1.00 0.14 O ATOM 855 CB LEU A 55 -0.140 -3.666 3.092 1.00 0.13 C ATOM 856 CG LEU A 55 -0.729 -5.062 3.339 1.00 0.15 C ATOM 857 CD1 LEU A 55 -2.216 -5.087 2.956 1.00 0.18 C ATOM 858 CD2 LEU A 55 0.038 -6.084 2.490 1.00 0.17 C ATOM 0 H LEU A 55 -2.096 -1.985 2.422 1.00 0.12 H new ATOM 0 HA LEU A 55 -0.982 -3.067 4.992 1.00 0.13 H new ATOM 0 HB2 LEU A 55 -0.280 -3.385 2.048 1.00 0.13 H new ATOM 0 HB3 LEU A 55 0.934 -3.679 3.278 1.00 0.13 H new ATOM 0 HG LEU A 55 -0.636 -5.311 4.396 1.00 0.15 H new ATOM 0 HD11 LEU A 55 -2.621 -6.083 3.136 1.00 0.18 H new ATOM 0 HD12 LEU A 55 -2.759 -4.360 3.559 1.00 0.18 H new ATOM 0 HD13 LEU A 55 -2.324 -4.837 1.901 1.00 0.18 H new ATOM 0 HD21 LEU A 55 -0.373 -7.079 2.659 1.00 0.17 H new ATOM 0 HD22 LEU A 55 -0.058 -5.826 1.435 1.00 0.17 H new ATOM 0 HD23 LEU A 55 1.091 -6.074 2.772 1.00 0.17 H new ATOM 870 N GLU A 56 1.219 -1.538 4.765 1.00 0.12 N ATOM 871 CA GLU A 56 2.156 -0.383 4.910 1.00 0.13 C ATOM 872 C GLU A 56 3.596 -0.893 4.820 1.00 0.12 C ATOM 873 O GLU A 56 4.108 -1.500 5.740 1.00 0.14 O ATOM 874 CB GLU A 56 1.933 0.285 6.270 1.00 0.14 C ATOM 875 CG GLU A 56 2.596 1.663 6.280 1.00 0.19 C ATOM 876 CD GLU A 56 2.491 2.271 7.680 1.00 0.49 C ATOM 877 OE1 GLU A 56 1.391 2.313 8.205 1.00 1.22 O ATOM 878 OE2 GLU A 56 3.512 2.683 8.204 1.00 1.27 O ATOM 0 H GLU A 56 1.535 -2.405 5.200 1.00 0.12 H new ATOM 0 HA GLU A 56 1.974 0.343 4.117 1.00 0.13 H new ATOM 0 HB2 GLU A 56 0.866 0.383 6.468 1.00 0.14 H new ATOM 0 HB3 GLU A 56 2.349 -0.336 7.064 1.00 0.14 H new ATOM 0 HG2 GLU A 56 3.642 1.577 5.987 1.00 0.19 H new ATOM 0 HG3 GLU A 56 2.114 2.315 5.552 1.00 0.19 H new ATOM 885 N VAL A 57 4.252 -0.656 3.711 1.00 0.13 N ATOM 886 CA VAL A 57 5.661 -1.130 3.539 1.00 0.13 C ATOM 887 C VAL A 57 6.627 0.046 3.682 1.00 0.13 C ATOM 888 O VAL A 57 6.295 1.176 3.382 1.00 0.17 O ATOM 889 CB VAL A 57 5.824 -1.733 2.143 1.00 0.15 C ATOM 890 CG1 VAL A 57 7.172 -2.455 2.056 1.00 0.17 C ATOM 891 CG2 VAL A 57 4.689 -2.726 1.876 1.00 0.16 C ATOM 0 H VAL A 57 3.869 -0.151 2.912 1.00 0.13 H new ATOM 0 HA VAL A 57 5.881 -1.878 4.301 1.00 0.13 H new ATOM 0 HB VAL A 57 5.789 -0.939 1.397 1.00 0.15 H new ATOM 0 HG11 VAL A 57 7.291 -2.886 1.062 1.00 0.17 H new ATOM 0 HG12 VAL A 57 7.978 -1.745 2.242 1.00 0.17 H new ATOM 0 HG13 VAL A 57 7.208 -3.249 2.802 1.00 0.17 H new ATOM 0 HG21 VAL A 57 4.807 -3.154 0.881 1.00 0.16 H new ATOM 0 HG22 VAL A 57 4.720 -3.522 2.620 1.00 0.16 H new ATOM 0 HG23 VAL A 57 3.731 -2.209 1.937 1.00 0.16 H new ATOM 901 N ASP A 58 7.830 -0.222 4.128 1.00 0.15 N ATOM 902 CA ASP A 58 8.856 0.856 4.288 1.00 0.16 C ATOM 903 C ASP A 58 10.015 0.567 3.333 1.00 0.17 C ATOM 904 O ASP A 58 10.650 -0.467 3.410 1.00 0.19 O ATOM 905 CB ASP A 58 9.364 0.861 5.735 1.00 0.18 C ATOM 906 CG ASP A 58 10.071 2.186 6.028 1.00 0.21 C ATOM 907 OD1 ASP A 58 9.573 3.210 5.592 1.00 1.07 O ATOM 908 OD2 ASP A 58 11.098 2.154 6.688 1.00 1.08 O ATOM 0 H ASP A 58 8.149 -1.154 4.391 1.00 0.15 H new ATOM 0 HA ASP A 58 8.422 1.830 4.060 1.00 0.16 H new ATOM 0 HB2 ASP A 58 8.531 0.722 6.424 1.00 0.18 H new ATOM 0 HB3 ASP A 58 10.050 0.029 5.893 1.00 0.18 H new ATOM 913 N VAL A 59 10.288 1.459 2.421 1.00 0.17 N ATOM 914 CA VAL A 59 11.394 1.217 1.451 1.00 0.20 C ATOM 915 C VAL A 59 12.744 1.189 2.177 1.00 0.23 C ATOM 916 O VAL A 59 13.786 1.166 1.551 1.00 0.33 O ATOM 917 CB VAL A 59 11.396 2.323 0.392 1.00 0.22 C ATOM 918 CG1 VAL A 59 10.087 2.274 -0.397 1.00 0.23 C ATOM 919 CG2 VAL A 59 11.525 3.689 1.071 1.00 0.25 C ATOM 0 H VAL A 59 9.794 2.344 2.305 1.00 0.17 H new ATOM 0 HA VAL A 59 11.238 0.252 0.969 1.00 0.20 H new ATOM 0 HB VAL A 59 12.239 2.173 -0.283 1.00 0.22 H new ATOM 0 HG11 VAL A 59 10.087 3.061 -1.151 1.00 0.23 H new ATOM 0 HG12 VAL A 59 9.992 1.304 -0.885 1.00 0.23 H new ATOM 0 HG13 VAL A 59 9.247 2.422 0.282 1.00 0.23 H new ATOM 0 HG21 VAL A 59 11.526 4.473 0.314 1.00 0.25 H new ATOM 0 HG22 VAL A 59 10.684 3.840 1.748 1.00 0.25 H new ATOM 0 HG23 VAL A 59 12.457 3.728 1.635 1.00 0.25 H new ATOM 929 N ASP A 60 12.736 1.183 3.491 1.00 0.23 N ATOM 930 CA ASP A 60 14.019 1.144 4.270 1.00 0.27 C ATOM 931 C ASP A 60 14.051 -0.123 5.132 1.00 0.29 C ATOM 932 O ASP A 60 15.064 -0.784 5.240 1.00 0.33 O ATOM 933 CB ASP A 60 14.110 2.384 5.173 1.00 0.29 C ATOM 934 CG ASP A 60 14.583 3.584 4.350 1.00 0.40 C ATOM 935 OD1 ASP A 60 14.201 3.674 3.196 1.00 1.07 O ATOM 936 OD2 ASP A 60 15.322 4.391 4.888 1.00 1.21 O ATOM 0 H ASP A 60 11.890 1.204 4.061 1.00 0.23 H new ATOM 0 HA ASP A 60 14.864 1.137 3.581 1.00 0.27 H new ATOM 0 HB2 ASP A 60 13.137 2.595 5.617 1.00 0.29 H new ATOM 0 HB3 ASP A 60 14.802 2.198 5.995 1.00 0.29 H new ATOM 941 N ASP A 61 12.951 -0.466 5.749 1.00 0.27 N ATOM 942 CA ASP A 61 12.922 -1.691 6.604 1.00 0.31 C ATOM 943 C ASP A 61 12.582 -2.909 5.743 1.00 0.28 C ATOM 944 O ASP A 61 13.004 -4.013 6.023 1.00 0.34 O ATOM 945 CB ASP A 61 11.860 -1.525 7.695 1.00 0.34 C ATOM 946 CG ASP A 61 12.079 -2.576 8.786 1.00 0.43 C ATOM 947 OD1 ASP A 61 11.931 -3.751 8.489 1.00 1.17 O ATOM 948 OD2 ASP A 61 12.393 -2.189 9.900 1.00 1.17 O ATOM 0 H ASP A 61 12.072 0.048 5.698 1.00 0.27 H new ATOM 0 HA ASP A 61 13.899 -1.835 7.065 1.00 0.31 H new ATOM 0 HB2 ASP A 61 11.917 -0.524 8.123 1.00 0.34 H new ATOM 0 HB3 ASP A 61 10.864 -1.633 7.267 1.00 0.34 H new ATOM 953 N ALA A 62 11.819 -2.712 4.694 1.00 0.23 N ATOM 954 CA ALA A 62 11.435 -3.848 3.795 1.00 0.23 C ATOM 955 C ALA A 62 11.997 -3.597 2.395 1.00 0.23 C ATOM 956 O ALA A 62 11.324 -3.789 1.401 1.00 0.21 O ATOM 957 CB ALA A 62 9.909 -3.939 3.720 1.00 0.24 C ATOM 0 H ALA A 62 11.442 -1.805 4.420 1.00 0.23 H new ATOM 0 HA ALA A 62 11.839 -4.781 4.189 1.00 0.23 H new ATOM 0 HB1 ALA A 62 9.625 -4.764 3.067 1.00 0.24 H new ATOM 0 HB2 ALA A 62 9.505 -4.111 4.718 1.00 0.24 H new ATOM 0 HB3 ALA A 62 9.508 -3.007 3.322 1.00 0.24 H new ATOM 963 N GLN A 63 13.225 -3.165 2.310 1.00 0.27 N ATOM 964 CA GLN A 63 13.832 -2.898 0.975 1.00 0.31 C ATOM 965 C GLN A 63 13.729 -4.154 0.103 1.00 0.28 C ATOM 966 O GLN A 63 13.869 -4.096 -1.103 1.00 0.30 O ATOM 967 CB GLN A 63 15.305 -2.512 1.153 1.00 0.39 C ATOM 968 CG GLN A 63 15.451 -1.604 2.378 1.00 0.91 C ATOM 969 CD GLN A 63 16.819 -0.921 2.349 1.00 1.35 C ATOM 970 OE1 GLN A 63 17.736 -1.344 3.023 1.00 1.96 O ATOM 971 NE2 GLN A 63 16.995 0.128 1.592 1.00 2.01 N ATOM 0 H GLN A 63 13.835 -2.985 3.108 1.00 0.27 H new ATOM 0 HA GLN A 63 13.299 -2.080 0.490 1.00 0.31 H new ATOM 0 HB2 GLN A 63 15.914 -3.407 1.276 1.00 0.39 H new ATOM 0 HB3 GLN A 63 15.668 -2.000 0.262 1.00 0.39 H new ATOM 0 HG2 GLN A 63 14.659 -0.855 2.385 1.00 0.91 H new ATOM 0 HG3 GLN A 63 15.344 -2.189 3.292 1.00 0.91 H new ATOM 0 HE21 GLN A 63 16.225 0.483 1.026 1.00 2.01 H new ATOM 0 HE22 GLN A 63 17.903 0.592 1.567 1.00 2.01 H new ATOM 980 N ASP A 64 13.485 -5.287 0.702 1.00 0.27 N ATOM 981 CA ASP A 64 13.376 -6.541 -0.097 1.00 0.27 C ATOM 982 C ASP A 64 12.087 -6.510 -0.917 1.00 0.25 C ATOM 983 O ASP A 64 12.056 -6.922 -2.059 1.00 0.26 O ATOM 984 CB ASP A 64 13.355 -7.746 0.845 1.00 0.28 C ATOM 985 CG ASP A 64 12.198 -7.601 1.834 1.00 0.28 C ATOM 986 OD1 ASP A 64 12.182 -6.617 2.556 1.00 1.15 O ATOM 987 OD2 ASP A 64 11.347 -8.475 1.854 1.00 1.08 O ATOM 0 H ASP A 64 13.357 -5.399 1.708 1.00 0.27 H new ATOM 0 HA ASP A 64 14.231 -6.621 -0.768 1.00 0.27 H new ATOM 0 HB2 ASP A 64 13.244 -8.667 0.272 1.00 0.28 H new ATOM 0 HB3 ASP A 64 14.300 -7.817 1.383 1.00 0.28 H new ATOM 992 N VAL A 65 11.023 -6.022 -0.343 1.00 0.23 N ATOM 993 CA VAL A 65 9.734 -5.960 -1.090 1.00 0.24 C ATOM 994 C VAL A 65 9.751 -4.753 -2.028 1.00 0.25 C ATOM 995 O VAL A 65 9.180 -4.779 -3.101 1.00 0.28 O ATOM 996 CB VAL A 65 8.576 -5.827 -0.099 1.00 0.25 C ATOM 997 CG1 VAL A 65 7.248 -6.014 -0.837 1.00 0.30 C ATOM 998 CG2 VAL A 65 8.711 -6.898 0.988 1.00 0.27 C ATOM 0 H VAL A 65 10.989 -5.663 0.611 1.00 0.23 H new ATOM 0 HA VAL A 65 9.604 -6.871 -1.674 1.00 0.24 H new ATOM 0 HB VAL A 65 8.601 -4.838 0.359 1.00 0.25 H new ATOM 0 HG11 VAL A 65 6.423 -5.919 -0.131 1.00 0.30 H new ATOM 0 HG12 VAL A 65 7.152 -5.253 -1.612 1.00 0.30 H new ATOM 0 HG13 VAL A 65 7.222 -7.003 -1.295 1.00 0.30 H new ATOM 0 HG21 VAL A 65 7.887 -6.805 1.695 1.00 0.27 H new ATOM 0 HG22 VAL A 65 8.686 -7.887 0.530 1.00 0.27 H new ATOM 0 HG23 VAL A 65 9.657 -6.766 1.514 1.00 0.27 H new ATOM 1008 N ALA A 66 10.405 -3.694 -1.635 1.00 0.25 N ATOM 1009 CA ALA A 66 10.461 -2.486 -2.507 1.00 0.28 C ATOM 1010 C ALA A 66 11.173 -2.839 -3.814 1.00 0.29 C ATOM 1011 O ALA A 66 10.748 -2.456 -4.886 1.00 0.31 O ATOM 1012 CB ALA A 66 11.232 -1.375 -1.789 1.00 0.34 C ATOM 0 H ALA A 66 10.903 -3.613 -0.748 1.00 0.25 H new ATOM 0 HA ALA A 66 9.449 -2.143 -2.724 1.00 0.28 H new ATOM 0 HB1 ALA A 66 11.274 -0.491 -2.426 1.00 0.34 H new ATOM 0 HB2 ALA A 66 10.727 -1.126 -0.856 1.00 0.34 H new ATOM 0 HB3 ALA A 66 12.245 -1.715 -1.574 1.00 0.34 H new ATOM 1018 N SER A 67 12.252 -3.569 -3.734 1.00 0.33 N ATOM 1019 CA SER A 67 12.991 -3.947 -4.971 1.00 0.38 C ATOM 1020 C SER A 67 12.112 -4.861 -5.827 1.00 0.41 C ATOM 1021 O SER A 67 12.253 -4.923 -7.032 1.00 0.46 O ATOM 1022 CB SER A 67 14.276 -4.682 -4.593 1.00 0.44 C ATOM 1023 OG SER A 67 14.933 -5.118 -5.777 1.00 1.33 O ATOM 0 H SER A 67 12.654 -3.920 -2.865 1.00 0.33 H new ATOM 0 HA SER A 67 13.241 -3.049 -5.536 1.00 0.38 H new ATOM 0 HB2 SER A 67 14.930 -4.024 -4.021 1.00 0.44 H new ATOM 0 HB3 SER A 67 14.046 -5.536 -3.955 1.00 0.44 H new ATOM 0 HG SER A 67 15.759 -5.589 -5.538 1.00 1.33 H new ATOM 1029 N GLU A 68 11.202 -5.570 -5.214 1.00 0.42 N ATOM 1030 CA GLU A 68 10.314 -6.474 -5.995 1.00 0.49 C ATOM 1031 C GLU A 68 9.525 -5.645 -7.006 1.00 0.50 C ATOM 1032 O GLU A 68 9.572 -5.885 -8.196 1.00 0.56 O ATOM 1033 CB GLU A 68 9.344 -7.185 -5.048 1.00 0.54 C ATOM 1034 CG GLU A 68 8.622 -8.303 -5.801 1.00 0.63 C ATOM 1035 CD GLU A 68 9.605 -9.438 -6.095 1.00 1.54 C ATOM 1036 OE1 GLU A 68 10.378 -9.769 -5.211 1.00 2.26 O ATOM 1037 OE2 GLU A 68 9.568 -9.956 -7.199 1.00 2.30 O ATOM 0 H GLU A 68 11.037 -5.561 -4.208 1.00 0.42 H new ATOM 0 HA GLU A 68 10.915 -7.218 -6.517 1.00 0.49 H new ATOM 0 HB2 GLU A 68 9.886 -7.597 -4.197 1.00 0.54 H new ATOM 0 HB3 GLU A 68 8.620 -6.474 -4.651 1.00 0.54 H new ATOM 0 HG2 GLU A 68 7.787 -8.675 -5.207 1.00 0.63 H new ATOM 0 HG3 GLU A 68 8.205 -7.919 -6.732 1.00 0.63 H new ATOM 1044 N ALA A 69 8.807 -4.664 -6.538 1.00 0.46 N ATOM 1045 CA ALA A 69 8.019 -3.805 -7.465 1.00 0.49 C ATOM 1046 C ALA A 69 8.940 -2.739 -8.060 1.00 0.45 C ATOM 1047 O ALA A 69 8.529 -1.923 -8.861 1.00 0.49 O ATOM 1048 CB ALA A 69 6.885 -3.128 -6.691 1.00 0.49 C ATOM 0 H ALA A 69 8.731 -4.419 -5.551 1.00 0.46 H new ATOM 0 HA ALA A 69 7.596 -4.414 -8.264 1.00 0.49 H new ATOM 0 HB1 ALA A 69 6.307 -2.499 -7.368 1.00 0.49 H new ATOM 0 HB2 ALA A 69 6.235 -3.889 -6.259 1.00 0.49 H new ATOM 0 HB3 ALA A 69 7.304 -2.514 -5.894 1.00 0.49 H new ATOM 1054 N GLU A 70 10.187 -2.742 -7.671 1.00 0.41 N ATOM 1055 CA GLU A 70 11.140 -1.731 -8.211 1.00 0.43 C ATOM 1056 C GLU A 70 10.561 -0.329 -8.016 1.00 0.38 C ATOM 1057 O GLU A 70 10.215 0.347 -8.965 1.00 0.40 O ATOM 1058 CB GLU A 70 11.365 -1.986 -9.702 1.00 0.56 C ATOM 1059 CG GLU A 70 11.822 -3.430 -9.910 1.00 1.31 C ATOM 1060 CD GLU A 70 12.139 -3.657 -11.390 1.00 1.68 C ATOM 1061 OE1 GLU A 70 11.221 -3.585 -12.190 1.00 2.19 O ATOM 1062 OE2 GLU A 70 13.295 -3.898 -11.699 1.00 2.21 O ATOM 0 H GLU A 70 10.586 -3.401 -7.003 1.00 0.41 H new ATOM 0 HA GLU A 70 12.090 -1.809 -7.682 1.00 0.43 H new ATOM 0 HB2 GLU A 70 10.445 -1.801 -10.256 1.00 0.56 H new ATOM 0 HB3 GLU A 70 12.115 -1.297 -10.090 1.00 0.56 H new ATOM 0 HG2 GLU A 70 12.704 -3.635 -9.303 1.00 1.31 H new ATOM 0 HG3 GLU A 70 11.043 -4.120 -9.584 1.00 1.31 H new ATOM 1069 N VAL A 71 10.452 0.117 -6.794 1.00 0.33 N ATOM 1070 CA VAL A 71 9.896 1.477 -6.539 1.00 0.29 C ATOM 1071 C VAL A 71 11.016 2.514 -6.657 1.00 0.33 C ATOM 1072 O VAL A 71 11.905 2.575 -5.830 1.00 0.41 O ATOM 1073 CB VAL A 71 9.296 1.529 -5.132 1.00 0.27 C ATOM 1074 CG1 VAL A 71 8.397 2.761 -5.000 1.00 0.26 C ATOM 1075 CG2 VAL A 71 8.465 0.267 -4.887 1.00 0.32 C ATOM 0 H VAL A 71 10.724 -0.403 -5.960 1.00 0.33 H new ATOM 0 HA VAL A 71 9.119 1.696 -7.271 1.00 0.29 H new ATOM 0 HB VAL A 71 10.100 1.587 -4.399 1.00 0.27 H new ATOM 0 HG11 VAL A 71 7.971 2.795 -3.997 1.00 0.26 H new ATOM 0 HG12 VAL A 71 8.986 3.661 -5.175 1.00 0.26 H new ATOM 0 HG13 VAL A 71 7.593 2.705 -5.734 1.00 0.26 H new ATOM 0 HG21 VAL A 71 8.037 0.302 -3.885 1.00 0.32 H new ATOM 0 HG22 VAL A 71 7.663 0.211 -5.623 1.00 0.32 H new ATOM 0 HG23 VAL A 71 9.103 -0.612 -4.978 1.00 0.32 H new ATOM 1085 N LYS A 72 10.977 3.331 -7.682 1.00 0.33 N ATOM 1086 CA LYS A 72 12.035 4.375 -7.874 1.00 0.39 C ATOM 1087 C LYS A 72 11.433 5.756 -7.614 1.00 0.34 C ATOM 1088 O LYS A 72 12.012 6.771 -7.952 1.00 0.37 O ATOM 1089 CB LYS A 72 12.549 4.313 -9.315 1.00 0.49 C ATOM 1090 CG LYS A 72 13.192 2.950 -9.572 1.00 0.57 C ATOM 1091 CD LYS A 72 13.783 2.921 -10.983 1.00 1.11 C ATOM 1092 CE LYS A 72 14.371 1.537 -11.264 1.00 1.76 C ATOM 1093 NZ LYS A 72 13.268 0.537 -11.347 1.00 2.32 N ATOM 0 H LYS A 72 10.252 3.320 -8.400 1.00 0.33 H new ATOM 0 HA LYS A 72 12.858 4.196 -7.182 1.00 0.39 H new ATOM 0 HB2 LYS A 72 11.727 4.476 -10.012 1.00 0.49 H new ATOM 0 HB3 LYS A 72 13.275 5.107 -9.487 1.00 0.49 H new ATOM 0 HG2 LYS A 72 13.973 2.760 -8.836 1.00 0.57 H new ATOM 0 HG3 LYS A 72 12.450 2.159 -9.461 1.00 0.57 H new ATOM 0 HD2 LYS A 72 13.011 3.155 -11.716 1.00 1.11 H new ATOM 0 HD3 LYS A 72 14.557 3.683 -11.080 1.00 1.11 H new ATOM 0 HE2 LYS A 72 14.934 1.552 -12.197 1.00 1.76 H new ATOM 0 HE3 LYS A 72 15.069 1.260 -10.475 1.00 1.76 H new ATOM 0 HZ1 LYS A 72 13.637 -0.355 -11.735 1.00 2.32 H new ATOM 0 HZ2 LYS A 72 12.881 0.368 -10.397 1.00 2.32 H new ATOM 0 HZ3 LYS A 72 12.516 0.900 -11.968 1.00 2.32 H new ATOM 1107 N ALA A 73 10.275 5.805 -7.014 1.00 0.29 N ATOM 1108 CA ALA A 73 9.634 7.121 -6.730 1.00 0.27 C ATOM 1109 C ALA A 73 8.627 6.958 -5.591 1.00 0.22 C ATOM 1110 O ALA A 73 7.557 6.411 -5.772 1.00 0.21 O ATOM 1111 CB ALA A 73 8.910 7.618 -7.984 1.00 0.29 C ATOM 0 H ALA A 73 9.744 4.990 -6.708 1.00 0.29 H new ATOM 0 HA ALA A 73 10.397 7.844 -6.442 1.00 0.27 H new ATOM 0 HB1 ALA A 73 8.441 8.580 -7.776 1.00 0.29 H new ATOM 0 HB2 ALA A 73 9.627 7.732 -8.797 1.00 0.29 H new ATOM 0 HB3 ALA A 73 8.145 6.897 -8.273 1.00 0.29 H new ATOM 1117 N THR A 74 8.963 7.428 -4.416 1.00 0.22 N ATOM 1118 CA THR A 74 8.033 7.306 -3.249 1.00 0.20 C ATOM 1119 C THR A 74 7.343 8.666 -3.019 1.00 0.21 C ATOM 1120 O THR A 74 7.913 9.686 -3.349 1.00 0.24 O ATOM 1121 CB THR A 74 8.855 6.935 -2.005 1.00 0.24 C ATOM 1122 OG1 THR A 74 10.076 7.662 -2.018 1.00 0.27 O ATOM 1123 CG2 THR A 74 9.156 5.435 -2.008 1.00 0.28 C ATOM 0 H THR A 74 9.847 7.894 -4.213 1.00 0.22 H new ATOM 0 HA THR A 74 7.281 6.540 -3.439 1.00 0.20 H new ATOM 0 HB THR A 74 8.286 7.183 -1.109 1.00 0.24 H new ATOM 0 HG1 THR A 74 10.603 7.430 -1.225 1.00 0.27 H new ATOM 0 HG21 THR A 74 9.739 5.179 -1.123 1.00 0.28 H new ATOM 0 HG22 THR A 74 8.220 4.876 -2.000 1.00 0.28 H new ATOM 0 HG23 THR A 74 9.724 5.180 -2.903 1.00 0.28 H new ATOM 1131 N PRO A 75 6.154 8.669 -2.437 1.00 0.21 N ATOM 1132 CA PRO A 75 5.415 7.453 -2.015 1.00 0.19 C ATOM 1133 C PRO A 75 4.792 6.760 -3.240 1.00 0.17 C ATOM 1134 O PRO A 75 4.694 7.332 -4.308 1.00 0.17 O ATOM 1135 CB PRO A 75 4.313 7.985 -1.066 1.00 0.22 C ATOM 1136 CG PRO A 75 4.304 9.538 -1.194 1.00 0.26 C ATOM 1137 CD PRO A 75 5.467 9.934 -2.130 1.00 0.25 C ATOM 0 HA PRO A 75 6.055 6.715 -1.531 1.00 0.19 H new ATOM 0 HB2 PRO A 75 3.341 7.571 -1.335 1.00 0.22 H new ATOM 0 HB3 PRO A 75 4.513 7.685 -0.037 1.00 0.22 H new ATOM 0 HG2 PRO A 75 3.352 9.884 -1.598 1.00 0.26 H new ATOM 0 HG3 PRO A 75 4.424 10.004 -0.216 1.00 0.26 H new ATOM 0 HD2 PRO A 75 5.098 10.414 -3.037 1.00 0.25 H new ATOM 0 HD3 PRO A 75 6.140 10.642 -1.646 1.00 0.25 H new ATOM 1145 N THR A 76 4.376 5.530 -3.088 1.00 0.15 N ATOM 1146 CA THR A 76 3.765 4.791 -4.234 1.00 0.16 C ATOM 1147 C THR A 76 2.706 3.822 -3.700 1.00 0.16 C ATOM 1148 O THR A 76 2.855 3.253 -2.636 1.00 0.23 O ATOM 1149 CB THR A 76 4.859 4.009 -4.972 1.00 0.17 C ATOM 1150 OG1 THR A 76 5.729 4.924 -5.624 1.00 0.18 O ATOM 1151 CG2 THR A 76 4.226 3.081 -6.011 1.00 0.20 C ATOM 0 H THR A 76 4.433 5.003 -2.217 1.00 0.15 H new ATOM 0 HA THR A 76 3.297 5.494 -4.923 1.00 0.16 H new ATOM 0 HB THR A 76 5.421 3.411 -4.255 1.00 0.17 H new ATOM 0 HG1 THR A 76 6.429 5.211 -5.001 1.00 0.18 H new ATOM 0 HG21 THR A 76 5.009 2.529 -6.531 1.00 0.20 H new ATOM 0 HG22 THR A 76 3.557 2.379 -5.513 1.00 0.20 H new ATOM 0 HG23 THR A 76 3.660 3.673 -6.731 1.00 0.20 H new ATOM 1159 N PHE A 77 1.635 3.635 -4.436 1.00 0.13 N ATOM 1160 CA PHE A 77 0.545 2.708 -3.990 1.00 0.13 C ATOM 1161 C PHE A 77 0.346 1.611 -5.038 1.00 0.13 C ATOM 1162 O PHE A 77 0.473 1.844 -6.223 1.00 0.16 O ATOM 1163 CB PHE A 77 -0.751 3.502 -3.829 1.00 0.13 C ATOM 1164 CG PHE A 77 -0.531 4.613 -2.831 1.00 0.12 C ATOM 1165 CD1 PHE A 77 0.052 5.826 -3.246 1.00 0.16 C ATOM 1166 CD2 PHE A 77 -0.903 4.433 -1.485 1.00 0.13 C ATOM 1167 CE1 PHE A 77 0.262 6.860 -2.314 1.00 0.17 C ATOM 1168 CE2 PHE A 77 -0.691 5.467 -0.553 1.00 0.14 C ATOM 1169 CZ PHE A 77 -0.108 6.681 -0.967 1.00 0.15 C ATOM 0 H PHE A 77 1.468 4.089 -5.334 1.00 0.13 H new ATOM 0 HA PHE A 77 0.817 2.251 -3.038 1.00 0.13 H new ATOM 0 HB2 PHE A 77 -1.060 3.915 -4.789 1.00 0.13 H new ATOM 0 HB3 PHE A 77 -1.554 2.847 -3.491 1.00 0.13 H new ATOM 0 HD1 PHE A 77 0.338 5.963 -4.278 1.00 0.16 H new ATOM 0 HD2 PHE A 77 -1.351 3.503 -1.168 1.00 0.13 H new ATOM 0 HE1 PHE A 77 0.707 7.791 -2.632 1.00 0.17 H new ATOM 0 HE2 PHE A 77 -0.975 5.329 0.480 1.00 0.14 H new ATOM 0 HZ PHE A 77 0.055 7.474 -0.252 1.00 0.15 H new ATOM 1179 N GLN A 78 0.039 0.412 -4.602 1.00 0.12 N ATOM 1180 CA GLN A 78 -0.170 -0.724 -5.557 1.00 0.13 C ATOM 1181 C GLN A 78 -1.516 -1.397 -5.271 1.00 0.12 C ATOM 1182 O GLN A 78 -1.944 -1.495 -4.139 1.00 0.12 O ATOM 1183 CB GLN A 78 0.956 -1.747 -5.372 1.00 0.14 C ATOM 1184 CG GLN A 78 2.240 -1.214 -6.011 1.00 0.17 C ATOM 1185 CD GLN A 78 3.366 -2.233 -5.823 1.00 0.28 C ATOM 1186 OE1 GLN A 78 4.544 -1.823 -5.440 1.00 0.82 O flip ATOM 1187 NE2 GLN A 78 3.170 -3.415 -6.025 1.00 1.12 N flip ATOM 0 H GLN A 78 -0.077 0.170 -3.618 1.00 0.12 H new ATOM 0 HA GLN A 78 -0.165 -0.346 -6.579 1.00 0.13 H new ATOM 0 HB2 GLN A 78 1.117 -1.938 -4.311 1.00 0.14 H new ATOM 0 HB3 GLN A 78 0.677 -2.697 -5.828 1.00 0.14 H new ATOM 0 HG2 GLN A 78 2.079 -1.026 -7.073 1.00 0.17 H new ATOM 0 HG3 GLN A 78 2.517 -0.263 -5.557 1.00 0.17 H new ATOM 0 HE21 GLN A 78 2.249 -3.735 -6.324 1.00 1.12 H new ATOM 0 HE22 GLN A 78 3.926 -4.087 -5.895 1.00 1.12 H new ATOM 1196 N PHE A 79 -2.179 -1.864 -6.299 1.00 0.12 N ATOM 1197 CA PHE A 79 -3.504 -2.545 -6.119 1.00 0.12 C ATOM 1198 C PHE A 79 -3.340 -4.041 -6.388 1.00 0.12 C ATOM 1199 O PHE A 79 -3.108 -4.456 -7.506 1.00 0.16 O ATOM 1200 CB PHE A 79 -4.510 -1.963 -7.115 1.00 0.14 C ATOM 1201 CG PHE A 79 -4.886 -0.565 -6.683 1.00 0.15 C ATOM 1202 CD1 PHE A 79 -3.937 0.471 -6.762 1.00 0.15 C ATOM 1203 CD2 PHE A 79 -6.180 -0.297 -6.196 1.00 0.17 C ATOM 1204 CE1 PHE A 79 -4.280 1.775 -6.355 1.00 0.18 C ATOM 1205 CE2 PHE A 79 -6.524 1.006 -5.787 1.00 0.19 C ATOM 1206 CZ PHE A 79 -5.574 2.042 -5.867 1.00 0.20 C ATOM 0 H PHE A 79 -1.858 -1.803 -7.265 1.00 0.12 H new ATOM 0 HA PHE A 79 -3.862 -2.390 -5.101 1.00 0.12 H new ATOM 0 HB2 PHE A 79 -4.079 -1.943 -8.116 1.00 0.14 H new ATOM 0 HB3 PHE A 79 -5.398 -2.593 -7.163 1.00 0.14 H new ATOM 0 HD1 PHE A 79 -2.944 0.266 -7.135 1.00 0.15 H new ATOM 0 HD2 PHE A 79 -6.909 -1.091 -6.136 1.00 0.17 H new ATOM 0 HE1 PHE A 79 -3.551 2.570 -6.417 1.00 0.18 H new ATOM 0 HE2 PHE A 79 -7.516 1.210 -5.412 1.00 0.19 H new ATOM 0 HZ PHE A 79 -5.837 3.042 -5.554 1.00 0.20 H new ATOM 1216 N PHE A 80 -3.458 -4.855 -5.367 1.00 0.11 N ATOM 1217 CA PHE A 80 -3.310 -6.334 -5.546 1.00 0.11 C ATOM 1218 C PHE A 80 -4.679 -7.004 -5.403 1.00 0.13 C ATOM 1219 O PHE A 80 -5.574 -6.487 -4.765 1.00 0.17 O ATOM 1220 CB PHE A 80 -2.358 -6.878 -4.470 1.00 0.12 C ATOM 1221 CG PHE A 80 -0.924 -6.609 -4.872 1.00 0.14 C ATOM 1222 CD1 PHE A 80 -0.248 -7.516 -5.712 1.00 0.21 C ATOM 1223 CD2 PHE A 80 -0.264 -5.455 -4.407 1.00 0.14 C ATOM 1224 CE1 PHE A 80 1.086 -7.268 -6.087 1.00 0.25 C ATOM 1225 CE2 PHE A 80 1.070 -5.208 -4.783 1.00 0.17 C ATOM 1226 CZ PHE A 80 1.745 -6.114 -5.623 1.00 0.21 C ATOM 0 H PHE A 80 -3.652 -4.556 -4.411 1.00 0.11 H new ATOM 0 HA PHE A 80 -2.905 -6.546 -6.536 1.00 0.11 H new ATOM 0 HB2 PHE A 80 -2.571 -6.406 -3.511 1.00 0.12 H new ATOM 0 HB3 PHE A 80 -2.514 -7.949 -4.341 1.00 0.12 H new ATOM 0 HD1 PHE A 80 -0.753 -8.402 -6.068 1.00 0.21 H new ATOM 0 HD2 PHE A 80 -0.781 -4.760 -3.762 1.00 0.14 H new ATOM 0 HE1 PHE A 80 1.604 -7.963 -6.731 1.00 0.25 H new ATOM 0 HE2 PHE A 80 1.576 -4.323 -4.427 1.00 0.17 H new ATOM 0 HZ PHE A 80 2.768 -5.924 -5.911 1.00 0.21 H new ATOM 1236 N LYS A 81 -4.844 -8.155 -5.997 1.00 0.14 N ATOM 1237 CA LYS A 81 -6.148 -8.875 -5.909 1.00 0.18 C ATOM 1238 C LYS A 81 -5.891 -10.379 -6.030 1.00 0.18 C ATOM 1239 O LYS A 81 -5.254 -10.835 -6.959 1.00 0.18 O ATOM 1240 CB LYS A 81 -7.060 -8.408 -7.052 1.00 0.25 C ATOM 1241 CG LYS A 81 -8.474 -8.998 -6.888 1.00 0.47 C ATOM 1242 CD LYS A 81 -9.288 -8.169 -5.885 1.00 0.62 C ATOM 1243 CE LYS A 81 -10.754 -8.602 -5.947 1.00 0.67 C ATOM 1244 NZ LYS A 81 -10.832 -10.089 -6.000 1.00 1.44 N ATOM 0 H LYS A 81 -4.126 -8.631 -6.544 1.00 0.14 H new ATOM 0 HA LYS A 81 -6.632 -8.663 -4.955 1.00 0.18 H new ATOM 0 HB2 LYS A 81 -7.112 -7.319 -7.062 1.00 0.25 H new ATOM 0 HB3 LYS A 81 -6.640 -8.716 -8.010 1.00 0.25 H new ATOM 0 HG2 LYS A 81 -8.982 -9.015 -7.852 1.00 0.47 H new ATOM 0 HG3 LYS A 81 -8.406 -10.031 -6.546 1.00 0.47 H new ATOM 0 HD2 LYS A 81 -8.897 -8.309 -4.877 1.00 0.62 H new ATOM 0 HD3 LYS A 81 -9.200 -7.107 -6.116 1.00 0.62 H new ATOM 0 HE2 LYS A 81 -11.291 -8.230 -5.074 1.00 0.67 H new ATOM 0 HE3 LYS A 81 -11.235 -8.171 -6.825 1.00 0.67 H new ATOM 0 HZ1 LYS A 81 -11.829 -10.384 -6.025 1.00 1.44 H new ATOM 0 HZ2 LYS A 81 -10.348 -10.432 -6.854 1.00 1.44 H new ATOM 0 HZ3 LYS A 81 -10.373 -10.491 -5.158 1.00 1.44 H new ATOM 1258 N LYS A 82 -6.375 -11.152 -5.096 1.00 0.22 N ATOM 1259 CA LYS A 82 -6.149 -12.623 -5.158 1.00 0.26 C ATOM 1260 C LYS A 82 -4.655 -12.896 -5.341 1.00 0.24 C ATOM 1261 O LYS A 82 -4.259 -13.933 -5.835 1.00 0.27 O ATOM 1262 CB LYS A 82 -6.927 -13.215 -6.337 1.00 0.29 C ATOM 1263 CG LYS A 82 -8.417 -13.269 -5.992 1.00 0.36 C ATOM 1264 CD LYS A 82 -9.195 -13.848 -7.176 1.00 0.49 C ATOM 1265 CE LYS A 82 -10.674 -13.970 -6.805 1.00 1.29 C ATOM 1266 NZ LYS A 82 -11.215 -12.623 -6.470 1.00 1.94 N ATOM 0 H LYS A 82 -6.916 -10.829 -4.294 1.00 0.22 H new ATOM 0 HA LYS A 82 -6.495 -13.084 -4.233 1.00 0.26 H new ATOM 0 HB2 LYS A 82 -6.772 -12.609 -7.230 1.00 0.29 H new ATOM 0 HB3 LYS A 82 -6.559 -14.216 -6.563 1.00 0.29 H new ATOM 0 HG2 LYS A 82 -8.574 -13.883 -5.105 1.00 0.36 H new ATOM 0 HG3 LYS A 82 -8.783 -12.270 -5.757 1.00 0.36 H new ATOM 0 HD2 LYS A 82 -9.080 -13.206 -8.049 1.00 0.49 H new ATOM 0 HD3 LYS A 82 -8.795 -14.826 -7.445 1.00 0.49 H new ATOM 0 HE2 LYS A 82 -11.233 -14.402 -7.635 1.00 1.29 H new ATOM 0 HE3 LYS A 82 -10.793 -14.643 -5.956 1.00 1.29 H new ATOM 0 HZ1 LYS A 82 -12.232 -12.698 -6.267 1.00 1.94 H new ATOM 0 HZ2 LYS A 82 -10.722 -12.249 -5.634 1.00 1.94 H new ATOM 0 HZ3 LYS A 82 -11.069 -11.980 -7.275 1.00 1.94 H new ATOM 1280 N GLY A 83 -3.823 -11.971 -4.946 1.00 0.23 N ATOM 1281 CA GLY A 83 -2.354 -12.173 -5.098 1.00 0.25 C ATOM 1282 C GLY A 83 -1.943 -11.859 -6.536 1.00 0.24 C ATOM 1283 O GLY A 83 -0.976 -12.393 -7.044 1.00 0.30 O ATOM 0 H GLY A 83 -4.097 -11.084 -4.524 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -1.814 -11.528 -4.405 1.00 0.25 H new ATOM 0 HA3 GLY A 83 -2.090 -13.201 -4.849 1.00 0.25 H new ATOM 1287 N GLN A 84 -2.674 -10.995 -7.197 1.00 0.21 N ATOM 1288 CA GLN A 84 -2.341 -10.632 -8.612 1.00 0.24 C ATOM 1289 C GLN A 84 -2.379 -9.111 -8.774 1.00 0.21 C ATOM 1290 O GLN A 84 -3.378 -8.475 -8.505 1.00 0.20 O ATOM 1291 CB GLN A 84 -3.375 -11.261 -9.551 1.00 0.27 C ATOM 1292 CG GLN A 84 -3.187 -12.780 -9.578 1.00 0.38 C ATOM 1293 CD GLN A 84 -1.875 -13.121 -10.287 1.00 1.12 C ATOM 1294 OE1 GLN A 84 -1.615 -12.641 -11.373 1.00 1.89 O ATOM 1295 NE2 GLN A 84 -1.031 -13.936 -9.715 1.00 1.92 N ATOM 0 H GLN A 84 -3.493 -10.522 -6.815 1.00 0.21 H new ATOM 0 HA GLN A 84 -1.345 -11.001 -8.856 1.00 0.24 H new ATOM 0 HB2 GLN A 84 -4.383 -11.015 -9.216 1.00 0.27 H new ATOM 0 HB3 GLN A 84 -3.265 -10.853 -10.556 1.00 0.27 H new ATOM 0 HG2 GLN A 84 -3.176 -13.174 -8.562 1.00 0.38 H new ATOM 0 HG3 GLN A 84 -4.024 -13.251 -10.093 1.00 0.38 H new ATOM 0 HE21 GLN A 84 -1.249 -14.339 -8.804 1.00 1.92 H new ATOM 0 HE22 GLN A 84 -0.153 -14.170 -10.179 1.00 1.92 H new ATOM 1304 N LYS A 85 -1.302 -8.523 -9.220 1.00 0.23 N ATOM 1305 CA LYS A 85 -1.287 -7.046 -9.405 1.00 0.22 C ATOM 1306 C LYS A 85 -2.274 -6.678 -10.515 1.00 0.21 C ATOM 1307 O LYS A 85 -2.200 -7.193 -11.613 1.00 0.25 O ATOM 1308 CB LYS A 85 0.121 -6.592 -9.797 1.00 0.28 C ATOM 1309 CG LYS A 85 0.149 -5.062 -9.907 1.00 0.29 C ATOM 1310 CD LYS A 85 1.599 -4.562 -10.009 1.00 0.44 C ATOM 1311 CE LYS A 85 2.132 -4.778 -11.429 1.00 1.05 C ATOM 1312 NZ LYS A 85 1.238 -4.098 -12.409 1.00 1.83 N ATOM 0 H LYS A 85 -0.435 -9.001 -9.463 1.00 0.23 H new ATOM 0 HA LYS A 85 -1.574 -6.553 -8.476 1.00 0.22 H new ATOM 0 HB2 LYS A 85 0.844 -6.928 -9.053 1.00 0.28 H new ATOM 0 HB3 LYS A 85 0.409 -7.042 -10.747 1.00 0.28 H new ATOM 0 HG2 LYS A 85 -0.416 -4.743 -10.783 1.00 0.29 H new ATOM 0 HG3 LYS A 85 -0.336 -4.619 -9.037 1.00 0.29 H new ATOM 0 HD2 LYS A 85 1.646 -3.504 -9.752 1.00 0.44 H new ATOM 0 HD3 LYS A 85 2.226 -5.092 -9.292 1.00 0.44 H new ATOM 0 HE2 LYS A 85 3.145 -4.384 -11.512 1.00 1.05 H new ATOM 0 HE3 LYS A 85 2.186 -5.844 -11.650 1.00 1.05 H new ATOM 0 HZ1 LYS A 85 1.592 -4.260 -13.373 1.00 1.83 H new ATOM 0 HZ2 LYS A 85 0.275 -4.482 -12.325 1.00 1.83 H new ATOM 0 HZ3 LYS A 85 1.222 -3.077 -12.214 1.00 1.83 H new ATOM 1326 N VAL A 86 -3.207 -5.800 -10.232 1.00 0.19 N ATOM 1327 CA VAL A 86 -4.223 -5.399 -11.259 1.00 0.21 C ATOM 1328 C VAL A 86 -4.135 -3.891 -11.521 1.00 0.22 C ATOM 1329 O VAL A 86 -4.730 -3.383 -12.450 1.00 0.29 O ATOM 1330 CB VAL A 86 -5.620 -5.742 -10.731 1.00 0.22 C ATOM 1331 CG1 VAL A 86 -5.857 -7.249 -10.853 1.00 0.27 C ATOM 1332 CG2 VAL A 86 -5.722 -5.329 -9.260 1.00 0.22 C ATOM 0 H VAL A 86 -3.309 -5.340 -9.327 1.00 0.19 H new ATOM 0 HA VAL A 86 -4.032 -5.933 -12.190 1.00 0.21 H new ATOM 0 HB VAL A 86 -6.370 -5.208 -11.314 1.00 0.22 H new ATOM 0 HG11 VAL A 86 -6.851 -7.493 -10.477 1.00 0.27 H new ATOM 0 HG12 VAL A 86 -5.782 -7.546 -11.899 1.00 0.27 H new ATOM 0 HG13 VAL A 86 -5.107 -7.784 -10.270 1.00 0.27 H new ATOM 0 HG21 VAL A 86 -6.715 -5.572 -8.882 1.00 0.22 H new ATOM 0 HG22 VAL A 86 -4.971 -5.865 -8.679 1.00 0.22 H new ATOM 0 HG23 VAL A 86 -5.552 -4.256 -9.171 1.00 0.22 H new ATOM 1342 N GLY A 87 -3.403 -3.171 -10.716 1.00 0.19 N ATOM 1343 CA GLY A 87 -3.293 -1.700 -10.938 1.00 0.21 C ATOM 1344 C GLY A 87 -2.238 -1.110 -10.001 1.00 0.16 C ATOM 1345 O GLY A 87 -1.898 -1.689 -8.990 1.00 0.16 O ATOM 0 H GLY A 87 -2.879 -3.534 -9.919 1.00 0.19 H new ATOM 0 HA2 GLY A 87 -3.024 -1.499 -11.975 1.00 0.21 H new ATOM 0 HA3 GLY A 87 -4.257 -1.223 -10.760 1.00 0.21 H new ATOM 1349 N GLU A 88 -1.716 0.039 -10.334 1.00 0.16 N ATOM 1350 CA GLU A 88 -0.683 0.670 -9.464 1.00 0.17 C ATOM 1351 C GLU A 88 -0.362 2.070 -9.992 1.00 0.18 C ATOM 1352 O GLU A 88 -0.661 2.400 -11.123 1.00 0.20 O ATOM 1353 CB GLU A 88 0.586 -0.184 -9.477 1.00 0.22 C ATOM 1354 CG GLU A 88 1.008 -0.452 -10.923 1.00 0.33 C ATOM 1355 CD GLU A 88 2.333 -1.216 -10.936 1.00 1.30 C ATOM 1356 OE1 GLU A 88 3.091 -1.064 -9.993 1.00 2.00 O ATOM 1357 OE2 GLU A 88 2.566 -1.942 -11.889 1.00 2.13 O ATOM 0 H GLU A 88 -1.960 0.568 -11.171 1.00 0.16 H new ATOM 0 HA GLU A 88 -1.060 0.743 -8.444 1.00 0.17 H new ATOM 0 HB2 GLU A 88 1.386 0.328 -8.943 1.00 0.22 H new ATOM 0 HB3 GLU A 88 0.408 -1.126 -8.959 1.00 0.22 H new ATOM 0 HG2 GLU A 88 0.239 -1.029 -11.436 1.00 0.33 H new ATOM 0 HG3 GLU A 88 1.114 0.489 -11.462 1.00 0.33 H new ATOM 1364 N PHE A 89 0.252 2.895 -9.187 1.00 0.16 N ATOM 1365 CA PHE A 89 0.596 4.269 -9.657 1.00 0.17 C ATOM 1366 C PHE A 89 1.513 4.949 -8.630 1.00 0.17 C ATOM 1367 O PHE A 89 1.534 4.584 -7.471 1.00 0.23 O ATOM 1368 CB PHE A 89 -0.693 5.090 -9.851 1.00 0.18 C ATOM 1369 CG PHE A 89 -1.194 5.627 -8.525 1.00 0.18 C ATOM 1370 CD1 PHE A 89 -0.711 6.860 -8.045 1.00 0.21 C ATOM 1371 CD2 PHE A 89 -2.139 4.901 -7.775 1.00 0.20 C ATOM 1372 CE1 PHE A 89 -1.172 7.367 -6.816 1.00 0.22 C ATOM 1373 CE2 PHE A 89 -2.601 5.410 -6.544 1.00 0.21 C ATOM 1374 CZ PHE A 89 -2.116 6.643 -6.065 1.00 0.20 C ATOM 0 H PHE A 89 0.529 2.679 -8.229 1.00 0.16 H new ATOM 0 HA PHE A 89 1.119 4.208 -10.611 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -0.503 5.917 -10.535 1.00 0.18 H new ATOM 0 HB3 PHE A 89 -1.461 4.467 -10.310 1.00 0.18 H new ATOM 0 HD1 PHE A 89 0.014 7.417 -8.621 1.00 0.21 H new ATOM 0 HD2 PHE A 89 -2.510 3.955 -8.142 1.00 0.20 H new ATOM 0 HE1 PHE A 89 -0.801 8.313 -6.449 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -3.327 4.855 -5.968 1.00 0.21 H new ATOM 0 HZ PHE A 89 -2.469 7.032 -5.121 1.00 0.20 H new ATOM 1384 N SER A 90 2.264 5.937 -9.052 1.00 0.21 N ATOM 1385 CA SER A 90 3.187 6.660 -8.118 1.00 0.22 C ATOM 1386 C SER A 90 2.859 8.154 -8.143 1.00 0.21 C ATOM 1387 O SER A 90 2.577 8.720 -9.180 1.00 0.23 O ATOM 1388 CB SER A 90 4.631 6.455 -8.574 1.00 0.26 C ATOM 1389 OG SER A 90 4.811 7.054 -9.850 1.00 0.34 O ATOM 0 H SER A 90 2.278 6.278 -10.013 1.00 0.21 H new ATOM 0 HA SER A 90 3.063 6.272 -7.107 1.00 0.22 H new ATOM 0 HB2 SER A 90 5.318 6.896 -7.852 1.00 0.26 H new ATOM 0 HB3 SER A 90 4.861 5.391 -8.624 1.00 0.26 H new ATOM 0 HG SER A 90 5.737 6.925 -10.144 1.00 0.34 H new ATOM 1395 N GLY A 91 2.895 8.800 -7.008 1.00 0.20 N ATOM 1396 CA GLY A 91 2.585 10.260 -6.969 1.00 0.21 C ATOM 1397 C GLY A 91 2.118 10.649 -5.566 1.00 0.21 C ATOM 1398 O GLY A 91 1.365 9.938 -4.932 1.00 0.21 O ATOM 0 H GLY A 91 3.125 8.381 -6.107 1.00 0.20 H new ATOM 0 HA2 GLY A 91 3.469 10.837 -7.242 1.00 0.21 H new ATOM 0 HA3 GLY A 91 1.811 10.497 -7.699 1.00 0.21 H new ATOM 1402 N ALA A 92 2.562 11.774 -5.076 1.00 0.22 N ATOM 1403 CA ALA A 92 2.146 12.211 -3.713 1.00 0.24 C ATOM 1404 C ALA A 92 0.752 12.840 -3.776 1.00 0.24 C ATOM 1405 O ALA A 92 0.483 13.835 -3.133 1.00 0.30 O ATOM 1406 CB ALA A 92 3.146 13.240 -3.181 1.00 0.27 C ATOM 0 H ALA A 92 3.195 12.410 -5.561 1.00 0.22 H new ATOM 0 HA ALA A 92 2.122 11.347 -3.048 1.00 0.24 H new ATOM 0 HB1 ALA A 92 2.843 13.560 -2.184 1.00 0.27 H new ATOM 0 HB2 ALA A 92 4.138 12.791 -3.132 1.00 0.27 H new ATOM 0 HB3 ALA A 92 3.170 14.102 -3.847 1.00 0.27 H new ATOM 1412 N ASN A 93 -0.138 12.266 -4.547 1.00 0.23 N ATOM 1413 CA ASN A 93 -1.523 12.826 -4.657 1.00 0.24 C ATOM 1414 C ASN A 93 -2.472 12.003 -3.784 1.00 0.21 C ATOM 1415 O ASN A 93 -3.121 11.086 -4.247 1.00 0.18 O ATOM 1416 CB ASN A 93 -1.983 12.756 -6.116 1.00 0.26 C ATOM 1417 CG ASN A 93 -3.213 13.645 -6.309 1.00 0.30 C ATOM 1418 OD1 ASN A 93 -3.814 14.087 -5.350 1.00 1.06 O ATOM 1419 ND2 ASN A 93 -3.615 13.929 -7.518 1.00 1.19 N ATOM 0 H ASN A 93 0.034 11.431 -5.107 1.00 0.23 H new ATOM 0 HA ASN A 93 -1.527 13.863 -4.323 1.00 0.24 H new ATOM 0 HB2 ASN A 93 -1.180 13.081 -6.777 1.00 0.26 H new ATOM 0 HB3 ASN A 93 -2.220 11.726 -6.384 1.00 0.26 H new ATOM 0 HD21 ASN A 93 -4.433 14.522 -7.657 1.00 1.19 H new ATOM 0 HD22 ASN A 93 -3.111 13.558 -8.323 1.00 1.19 H new ATOM 1426 N LYS A 94 -2.553 12.322 -2.521 1.00 0.26 N ATOM 1427 CA LYS A 94 -3.455 11.560 -1.612 1.00 0.28 C ATOM 1428 C LYS A 94 -4.898 11.648 -2.114 1.00 0.26 C ATOM 1429 O LYS A 94 -5.677 10.730 -1.953 1.00 0.26 O ATOM 1430 CB LYS A 94 -3.369 12.151 -0.201 1.00 0.38 C ATOM 1431 CG LYS A 94 -3.781 13.633 -0.230 1.00 0.45 C ATOM 1432 CD LYS A 94 -3.233 14.365 1.012 1.00 0.88 C ATOM 1433 CE LYS A 94 -1.814 14.880 0.740 1.00 0.74 C ATOM 1434 NZ LYS A 94 -1.241 15.442 1.995 1.00 1.28 N ATOM 0 H LYS A 94 -2.032 13.079 -2.079 1.00 0.26 H new ATOM 0 HA LYS A 94 -3.147 10.515 -1.593 1.00 0.28 H new ATOM 0 HB2 LYS A 94 -4.019 11.597 0.476 1.00 0.38 H new ATOM 0 HB3 LYS A 94 -2.353 12.054 0.182 1.00 0.38 H new ATOM 0 HG2 LYS A 94 -3.401 14.105 -1.136 1.00 0.45 H new ATOM 0 HG3 LYS A 94 -4.868 13.715 -0.259 1.00 0.45 H new ATOM 0 HD2 LYS A 94 -3.887 15.198 1.270 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -3.225 13.689 1.867 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -1.186 14.069 0.372 1.00 0.74 H new ATOM 0 HE3 LYS A 94 -1.836 15.644 -0.037 1.00 0.74 H new ATOM 0 HZ1 LYS A 94 -0.244 15.160 2.078 1.00 1.28 H new ATOM 0 HZ2 LYS A 94 -1.306 16.480 1.972 1.00 1.28 H new ATOM 0 HZ3 LYS A 94 -1.773 15.079 2.812 1.00 1.28 H new ATOM 1448 N GLU A 95 -5.264 12.746 -2.718 1.00 0.27 N ATOM 1449 CA GLU A 95 -6.659 12.886 -3.223 1.00 0.28 C ATOM 1450 C GLU A 95 -6.886 11.913 -4.381 1.00 0.24 C ATOM 1451 O GLU A 95 -7.981 11.434 -4.597 1.00 0.26 O ATOM 1452 CB GLU A 95 -6.884 14.320 -3.711 1.00 0.32 C ATOM 1453 CG GLU A 95 -7.022 15.253 -2.506 1.00 0.40 C ATOM 1454 CD GLU A 95 -7.205 16.692 -2.992 1.00 1.34 C ATOM 1455 OE1 GLU A 95 -6.376 17.145 -3.764 1.00 2.11 O ATOM 1456 OE2 GLU A 95 -8.170 17.316 -2.584 1.00 2.08 O ATOM 0 H GLU A 95 -4.659 13.550 -2.883 1.00 0.27 H new ATOM 0 HA GLU A 95 -7.359 12.661 -2.418 1.00 0.28 H new ATOM 0 HB2 GLU A 95 -6.050 14.638 -4.337 1.00 0.32 H new ATOM 0 HB3 GLU A 95 -7.782 14.369 -4.327 1.00 0.32 H new ATOM 0 HG2 GLU A 95 -7.874 14.953 -1.896 1.00 0.40 H new ATOM 0 HG3 GLU A 95 -6.137 15.181 -1.874 1.00 0.40 H new ATOM 1463 N LYS A 96 -5.858 11.616 -5.128 1.00 0.21 N ATOM 1464 CA LYS A 96 -6.017 10.674 -6.271 1.00 0.21 C ATOM 1465 C LYS A 96 -6.429 9.296 -5.746 1.00 0.19 C ATOM 1466 O LYS A 96 -7.143 8.561 -6.399 1.00 0.18 O ATOM 1467 CB LYS A 96 -4.689 10.559 -7.021 1.00 0.22 C ATOM 1468 CG LYS A 96 -4.872 9.665 -8.254 1.00 0.32 C ATOM 1469 CD LYS A 96 -3.561 9.597 -9.060 1.00 0.33 C ATOM 1470 CE LYS A 96 -3.465 10.791 -10.019 1.00 1.05 C ATOM 1471 NZ LYS A 96 -4.647 10.797 -10.926 1.00 1.84 N ATOM 0 H LYS A 96 -4.916 11.985 -4.996 1.00 0.21 H new ATOM 0 HA LYS A 96 -6.786 11.048 -6.947 1.00 0.21 H new ATOM 0 HB2 LYS A 96 -4.344 11.548 -7.324 1.00 0.22 H new ATOM 0 HB3 LYS A 96 -3.925 10.141 -6.366 1.00 0.22 H new ATOM 0 HG2 LYS A 96 -5.170 8.663 -7.945 1.00 0.32 H new ATOM 0 HG3 LYS A 96 -5.673 10.057 -8.881 1.00 0.32 H new ATOM 0 HD2 LYS A 96 -2.708 9.597 -8.381 1.00 0.33 H new ATOM 0 HD3 LYS A 96 -3.520 8.665 -9.623 1.00 0.33 H new ATOM 0 HE2 LYS A 96 -3.422 11.722 -9.454 1.00 1.05 H new ATOM 0 HE3 LYS A 96 -2.546 10.730 -10.602 1.00 1.05 H new ATOM 0 HZ1 LYS A 96 -4.370 11.173 -11.855 1.00 1.84 H new ATOM 0 HZ2 LYS A 96 -5.004 9.826 -11.038 1.00 1.84 H new ATOM 0 HZ3 LYS A 96 -5.394 11.395 -10.519 1.00 1.84 H new ATOM 1485 N LEU A 97 -5.984 8.939 -4.572 1.00 0.19 N ATOM 1486 CA LEU A 97 -6.351 7.606 -4.012 1.00 0.19 C ATOM 1487 C LEU A 97 -7.870 7.434 -4.064 1.00 0.19 C ATOM 1488 O LEU A 97 -8.374 6.346 -4.252 1.00 0.20 O ATOM 1489 CB LEU A 97 -5.882 7.513 -2.553 1.00 0.21 C ATOM 1490 CG LEU A 97 -4.355 7.329 -2.488 1.00 0.23 C ATOM 1491 CD1 LEU A 97 -3.865 7.646 -1.070 1.00 0.28 C ATOM 1492 CD2 LEU A 97 -3.968 5.879 -2.838 1.00 0.26 C ATOM 0 H LEU A 97 -5.384 9.511 -3.977 1.00 0.19 H new ATOM 0 HA LEU A 97 -5.871 6.823 -4.600 1.00 0.19 H new ATOM 0 HB2 LEU A 97 -6.169 8.416 -2.014 1.00 0.21 H new ATOM 0 HB3 LEU A 97 -6.376 6.677 -2.059 1.00 0.21 H new ATOM 0 HG LEU A 97 -3.892 8.004 -3.208 1.00 0.23 H new ATOM 0 HD11 LEU A 97 -2.784 7.516 -1.021 1.00 0.28 H new ATOM 0 HD12 LEU A 97 -4.119 8.676 -0.819 1.00 0.28 H new ATOM 0 HD13 LEU A 97 -4.344 6.971 -0.360 1.00 0.28 H new ATOM 0 HD21 LEU A 97 -2.885 5.769 -2.787 1.00 0.26 H new ATOM 0 HD22 LEU A 97 -4.436 5.196 -2.129 1.00 0.26 H new ATOM 0 HD23 LEU A 97 -4.309 5.645 -3.846 1.00 0.26 H new ATOM 1504 N GLU A 98 -8.605 8.497 -3.896 1.00 0.20 N ATOM 1505 CA GLU A 98 -10.090 8.387 -3.934 1.00 0.21 C ATOM 1506 C GLU A 98 -10.530 7.895 -5.313 1.00 0.20 C ATOM 1507 O GLU A 98 -11.079 6.821 -5.455 1.00 0.20 O ATOM 1508 CB GLU A 98 -10.710 9.758 -3.658 1.00 0.24 C ATOM 1509 CG GLU A 98 -12.215 9.602 -3.428 1.00 0.31 C ATOM 1510 CD GLU A 98 -12.799 10.935 -2.957 1.00 1.40 C ATOM 1511 OE1 GLU A 98 -12.625 11.257 -1.793 1.00 2.21 O ATOM 1512 OE2 GLU A 98 -13.411 11.611 -3.767 1.00 2.09 O ATOM 0 H GLU A 98 -8.242 9.437 -3.734 1.00 0.20 H new ATOM 0 HA GLU A 98 -10.422 7.679 -3.174 1.00 0.21 H new ATOM 0 HB2 GLU A 98 -10.243 10.210 -2.783 1.00 0.24 H new ATOM 0 HB3 GLU A 98 -10.527 10.427 -4.499 1.00 0.24 H new ATOM 0 HG2 GLU A 98 -12.704 9.284 -4.349 1.00 0.31 H new ATOM 0 HG3 GLU A 98 -12.402 8.828 -2.684 1.00 0.31 H new ATOM 1519 N ALA A 99 -10.294 8.677 -6.329 1.00 0.21 N ATOM 1520 CA ALA A 99 -10.699 8.262 -7.702 1.00 0.21 C ATOM 1521 C ALA A 99 -10.052 6.920 -8.049 1.00 0.20 C ATOM 1522 O ALA A 99 -10.575 6.155 -8.834 1.00 0.21 O ATOM 1523 CB ALA A 99 -10.246 9.321 -8.708 1.00 0.24 C ATOM 0 H ALA A 99 -9.837 9.587 -6.268 1.00 0.21 H new ATOM 0 HA ALA A 99 -11.783 8.160 -7.742 1.00 0.21 H new ATOM 0 HB1 ALA A 99 -10.542 9.019 -9.713 1.00 0.24 H new ATOM 0 HB2 ALA A 99 -10.711 10.276 -8.465 1.00 0.24 H new ATOM 0 HB3 ALA A 99 -9.162 9.424 -8.664 1.00 0.24 H new ATOM 1529 N THR A 100 -8.916 6.628 -7.478 1.00 0.19 N ATOM 1530 CA THR A 100 -8.240 5.337 -7.787 1.00 0.20 C ATOM 1531 C THR A 100 -9.014 4.185 -7.142 1.00 0.17 C ATOM 1532 O THR A 100 -9.257 3.167 -7.760 1.00 0.19 O ATOM 1533 CB THR A 100 -6.806 5.364 -7.245 1.00 0.22 C ATOM 1534 OG1 THR A 100 -6.238 6.643 -7.488 1.00 0.26 O ATOM 1535 CG2 THR A 100 -5.968 4.292 -7.944 1.00 0.24 C ATOM 0 H THR A 100 -8.427 7.226 -6.812 1.00 0.19 H new ATOM 0 HA THR A 100 -8.213 5.192 -8.867 1.00 0.20 H new ATOM 0 HB THR A 100 -6.820 5.165 -6.173 1.00 0.22 H new ATOM 0 HG1 THR A 100 -6.538 7.271 -6.797 1.00 0.26 H new ATOM 0 HG21 THR A 100 -4.950 4.315 -7.555 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.405 3.311 -7.759 1.00 0.24 H new ATOM 0 HG23 THR A 100 -5.951 4.485 -9.017 1.00 0.24 H new ATOM 1543 N ILE A 101 -9.402 4.332 -5.905 1.00 0.18 N ATOM 1544 CA ILE A 101 -10.159 3.241 -5.229 1.00 0.19 C ATOM 1545 C ILE A 101 -11.442 2.957 -6.014 1.00 0.21 C ATOM 1546 O ILE A 101 -11.883 1.829 -6.108 1.00 0.23 O ATOM 1547 CB ILE A 101 -10.498 3.666 -3.792 1.00 0.24 C ATOM 1548 CG1 ILE A 101 -9.202 3.701 -2.956 1.00 0.26 C ATOM 1549 CG2 ILE A 101 -11.484 2.660 -3.180 1.00 0.28 C ATOM 1550 CD1 ILE A 101 -9.386 4.579 -1.707 1.00 0.34 C ATOM 0 H ILE A 101 -9.228 5.159 -5.334 1.00 0.18 H new ATOM 0 HA ILE A 101 -9.553 2.336 -5.195 1.00 0.19 H new ATOM 0 HB ILE A 101 -10.954 4.656 -3.798 1.00 0.24 H new ATOM 0 HG12 ILE A 101 -8.928 2.689 -2.658 1.00 0.26 H new ATOM 0 HG13 ILE A 101 -8.383 4.088 -3.562 1.00 0.26 H new ATOM 0 HG21 ILE A 101 -11.725 2.961 -2.160 1.00 0.28 H new ATOM 0 HG22 ILE A 101 -12.396 2.636 -3.776 1.00 0.28 H new ATOM 0 HG23 ILE A 101 -11.032 1.668 -3.168 1.00 0.28 H new ATOM 0 HD11 ILE A 101 -8.461 4.591 -1.131 1.00 0.34 H new ATOM 0 HD12 ILE A 101 -9.637 5.595 -2.010 1.00 0.34 H new ATOM 0 HD13 ILE A 101 -10.191 4.174 -1.093 1.00 0.34 H new ATOM 1562 N ASN A 102 -12.041 3.966 -6.583 1.00 0.24 N ATOM 1563 CA ASN A 102 -13.290 3.740 -7.364 1.00 0.30 C ATOM 1564 C ASN A 102 -12.919 3.143 -8.721 1.00 0.30 C ATOM 1565 O ASN A 102 -13.764 2.875 -9.552 1.00 0.35 O ATOM 1566 CB ASN A 102 -14.015 5.072 -7.569 1.00 0.35 C ATOM 1567 CG ASN A 102 -15.401 4.814 -8.164 1.00 0.49 C ATOM 1568 OD1 ASN A 102 -15.522 4.457 -9.319 1.00 0.98 O ATOM 1569 ND2 ASN A 102 -16.458 4.981 -7.418 1.00 1.17 N ATOM 0 H ASN A 102 -11.722 4.934 -6.542 1.00 0.24 H new ATOM 0 HA ASN A 102 -13.947 3.057 -6.825 1.00 0.30 H new ATOM 0 HB2 ASN A 102 -14.108 5.597 -6.618 1.00 0.35 H new ATOM 0 HB3 ASN A 102 -13.437 5.714 -8.233 1.00 0.35 H new ATOM 0 HD21 ASN A 102 -17.387 4.812 -7.804 1.00 1.17 H new ATOM 0 HD22 ASN A 102 -16.356 5.281 -6.448 1.00 1.17 H new ATOM 1576 N GLU A 103 -11.652 2.938 -8.947 1.00 0.27 N ATOM 1577 CA GLU A 103 -11.198 2.360 -10.241 1.00 0.31 C ATOM 1578 C GLU A 103 -11.425 0.845 -10.240 1.00 0.32 C ATOM 1579 O GLU A 103 -12.078 0.302 -11.109 1.00 0.36 O ATOM 1580 CB GLU A 103 -9.704 2.657 -10.426 1.00 0.31 C ATOM 1581 CG GLU A 103 -9.328 2.520 -11.905 1.00 0.39 C ATOM 1582 CD GLU A 103 -7.817 2.694 -12.065 1.00 1.37 C ATOM 1583 OE1 GLU A 103 -7.382 3.825 -12.204 1.00 2.20 O ATOM 1584 OE2 GLU A 103 -7.120 1.692 -12.045 1.00 2.05 O ATOM 0 H GLU A 103 -10.905 3.148 -8.285 1.00 0.27 H new ATOM 0 HA GLU A 103 -11.766 2.804 -11.059 1.00 0.31 H new ATOM 0 HB2 GLU A 103 -9.478 3.664 -10.075 1.00 0.31 H new ATOM 0 HB3 GLU A 103 -9.110 1.969 -9.825 1.00 0.31 H new ATOM 0 HG2 GLU A 103 -9.634 1.543 -12.280 1.00 0.39 H new ATOM 0 HG3 GLU A 103 -9.856 3.268 -12.496 1.00 0.39 H new ATOM 1591 N LEU A 104 -10.872 0.163 -9.271 1.00 0.28 N ATOM 1592 CA LEU A 104 -11.024 -1.324 -9.193 1.00 0.31 C ATOM 1593 C LEU A 104 -12.037 -1.688 -8.106 1.00 0.33 C ATOM 1594 O LEU A 104 -12.074 -2.805 -7.631 1.00 0.36 O ATOM 1595 CB LEU A 104 -9.668 -1.949 -8.848 1.00 0.29 C ATOM 1596 CG LEU A 104 -8.611 -1.491 -9.860 1.00 0.33 C ATOM 1597 CD1 LEU A 104 -7.231 -1.956 -9.389 1.00 0.33 C ATOM 1598 CD2 LEU A 104 -8.911 -2.090 -11.244 1.00 0.48 C ATOM 0 H LEU A 104 -10.316 0.575 -8.522 1.00 0.28 H new ATOM 0 HA LEU A 104 -11.376 -1.702 -10.153 1.00 0.31 H new ATOM 0 HB2 LEU A 104 -9.370 -1.659 -7.841 1.00 0.29 H new ATOM 0 HB3 LEU A 104 -9.746 -3.036 -8.857 1.00 0.29 H new ATOM 0 HG LEU A 104 -8.630 -0.404 -9.934 1.00 0.33 H new ATOM 0 HD11 LEU A 104 -6.475 -1.633 -10.104 1.00 0.33 H new ATOM 0 HD12 LEU A 104 -7.015 -1.523 -8.412 1.00 0.33 H new ATOM 0 HD13 LEU A 104 -7.219 -3.043 -9.314 1.00 0.33 H new ATOM 0 HD21 LEU A 104 -8.155 -1.759 -11.956 1.00 0.48 H new ATOM 0 HD22 LEU A 104 -8.897 -3.178 -11.180 1.00 0.48 H new ATOM 0 HD23 LEU A 104 -9.894 -1.758 -11.579 1.00 0.48 H new ATOM 1610 N VAL A 105 -12.861 -0.759 -7.709 1.00 0.33 N ATOM 1611 CA VAL A 105 -13.869 -1.066 -6.655 1.00 0.38 C ATOM 1612 C VAL A 105 -14.809 -2.164 -7.161 1.00 0.46 C ATOM 1613 O VAL A 105 -15.314 -2.909 -6.337 1.00 1.10 O ATOM 1614 CB VAL A 105 -14.676 0.196 -6.342 1.00 0.39 C ATOM 1615 CG1 VAL A 105 -15.225 0.783 -7.643 1.00 0.41 C ATOM 1616 CG2 VAL A 105 -15.841 -0.153 -5.409 1.00 0.46 C ATOM 1617 OXT VAL A 105 -15.006 -2.241 -8.361 1.00 1.24 O ATOM 0 H VAL A 105 -12.881 0.196 -8.067 1.00 0.33 H new ATOM 0 HA VAL A 105 -13.364 -1.406 -5.751 1.00 0.38 H new ATOM 0 HB VAL A 105 -14.030 0.926 -5.854 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -15.800 1.682 -7.422 1.00 0.41 H new ATOM 0 HG12 VAL A 105 -14.397 1.035 -8.306 1.00 0.41 H new ATOM 0 HG13 VAL A 105 -15.869 0.050 -8.129 1.00 0.41 H new ATOM 0 HG21 VAL A 105 -16.413 0.748 -5.189 1.00 0.46 H new ATOM 0 HG22 VAL A 105 -16.488 -0.884 -5.893 1.00 0.46 H new ATOM 0 HG23 VAL A 105 -15.451 -0.571 -4.481 1.00 0.46 H new TER 1627 VAL A 105 HETATM 1628 O HOH A 201 -6.483 -11.646 -2.250 1.00 0.33 O HETATM 1631 O HOH A 202 8.468 -2.033 6.123 1.00 0.51 O HETATM 1634 O HOH A 203 11.453 3.400 4.012 1.00 0.26 O HETATM 1637 O HOH A 204 -8.197 -10.653 -0.411 1.00 0.42 O HETATM 1640 O HOH A 205 -5.833 -14.535 -0.019 1.00 0.34 O HETATM 1643 O HOH A 206 -11.430 -5.373 -0.557 1.00 0.55 O