USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 CYS SG : rot -13:sc= 0.313 USER MOD Set 1.2: A 87 TYR OH : rot -102:sc= 0.585 USER MOD Single : A 4 SER OG : rot 6:sc= 0.829 USER MOD Single : A 5 MET CE :methyl -114:sc= -2.84! (180deg=-8.24!) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0133 K(o=-0.013,f=-1.7!) USER MOD Single : A 34 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.032) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.17) USER MOD Single : A 61 SER OG : rot 0:sc= 1.12 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -8:sc= -0.583 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -133:sc= -2.25 (180deg=-5.07!) USER MOD Single : A 91 ASN :FLIP amide:sc= -1.54 F(o=-2.4,f=-1.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.0977 K(o=-0.098,f=-0.93) USER MOD Single : A 104 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.2!) USER MOD Single : A 105 ASN : amide:sc=-0.00202 X(o=-0.002,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 29 N SER A 4 8.590 -13.631 -3.404 1.00 14.54 N ATOM 30 CA SER A 4 8.586 -12.289 -2.834 1.00 31.15 C ATOM 31 C SER A 4 7.256 -11.590 -3.098 1.00 21.13 C ATOM 32 O SER A 4 6.376 -12.137 -3.763 1.00 2.22 O ATOM 33 CB SER A 4 9.734 -11.462 -3.416 1.00 2.41 C ATOM 34 OG SER A 4 10.619 -12.275 -4.168 1.00 0.31 O ATOM 0 HA SER A 4 8.721 -12.378 -1.756 1.00 31.15 H new ATOM 0 HB2 SER A 4 9.332 -10.673 -4.051 1.00 2.41 H new ATOM 0 HB3 SER A 4 10.281 -10.974 -2.609 1.00 2.41 H new ATOM 0 HG SER A 4 10.257 -13.184 -4.229 1.00 0.31 H new ATOM 40 N MET A 5 7.117 -10.378 -2.570 1.00 13.31 N ATOM 41 CA MET A 5 5.894 -9.603 -2.749 1.00 4.22 C ATOM 42 C MET A 5 6.210 -8.118 -2.904 1.00 21.42 C ATOM 43 O MET A 5 6.998 -7.559 -2.142 1.00 63.14 O ATOM 44 CB MET A 5 4.952 -9.816 -1.562 1.00 41.54 C ATOM 45 CG MET A 5 3.493 -9.545 -1.889 1.00 14.40 C ATOM 46 SD MET A 5 2.424 -9.660 -0.442 1.00 62.11 S ATOM 47 CE MET A 5 2.986 -8.248 0.507 1.00 54.12 C ATOM 0 H MET A 5 7.835 -9.912 -2.015 1.00 13.31 H new ATOM 0 HA MET A 5 5.403 -9.949 -3.659 1.00 4.22 H new ATOM 0 HB2 MET A 5 5.052 -10.842 -1.209 1.00 41.54 H new ATOM 0 HB3 MET A 5 5.259 -9.165 -0.743 1.00 41.54 H new ATOM 0 HG2 MET A 5 3.401 -8.550 -2.326 1.00 14.40 H new ATOM 0 HG3 MET A 5 3.155 -10.256 -2.643 1.00 14.40 H new ATOM 0 HE1 MET A 5 3.460 -8.593 1.426 1.00 54.12 H new ATOM 0 HE2 MET A 5 3.706 -7.678 -0.080 1.00 54.12 H new ATOM 0 HE3 MET A 5 2.135 -7.613 0.753 1.00 54.12 H new ATOM 57 N ASN A 6 5.589 -7.487 -3.894 1.00 44.14 N ATOM 58 CA ASN A 6 5.805 -6.067 -4.149 1.00 50.53 C ATOM 59 C ASN A 6 4.538 -5.264 -3.865 1.00 62.43 C ATOM 60 O ASN A 6 3.547 -5.375 -4.587 1.00 43.22 O ATOM 61 CB ASN A 6 6.246 -5.848 -5.597 1.00 61.14 C ATOM 62 CG ASN A 6 7.417 -6.731 -5.985 1.00 12.12 C ATOM 63 OD1 ASN A 6 8.439 -6.761 -5.299 1.00 2.03 O ATOM 64 ND2 ASN A 6 7.273 -7.455 -7.089 1.00 44.13 N ATOM 0 H ASN A 6 4.932 -7.935 -4.533 1.00 44.14 H new ATOM 0 HA ASN A 6 6.592 -5.720 -3.480 1.00 50.53 H new ATOM 0 HB2 ASN A 6 5.407 -6.048 -6.264 1.00 61.14 H new ATOM 0 HB3 ASN A 6 6.521 -4.802 -5.736 1.00 61.14 H new ATOM 0 HD21 ASN A 6 8.027 -8.067 -7.399 1.00 44.13 H new ATOM 0 HD22 ASN A 6 6.408 -7.399 -7.627 1.00 44.13 H new ATOM 71 N ILE A 7 4.580 -4.458 -2.810 1.00 1.31 N ATOM 72 CA ILE A 7 3.437 -3.636 -2.432 1.00 60.30 C ATOM 73 C ILE A 7 3.572 -2.220 -2.981 1.00 34.11 C ATOM 74 O ILE A 7 4.657 -1.637 -2.966 1.00 62.52 O ATOM 75 CB ILE A 7 3.275 -3.567 -0.902 1.00 31.54 C ATOM 76 CG1 ILE A 7 3.156 -4.977 -0.316 1.00 51.41 C ATOM 77 CG2 ILE A 7 2.058 -2.732 -0.535 1.00 71.33 C ATOM 78 CD1 ILE A 7 3.120 -5.001 1.196 1.00 24.34 C ATOM 0 H ILE A 7 5.393 -4.356 -2.202 1.00 1.31 H new ATOM 0 HA ILE A 7 2.554 -4.108 -2.863 1.00 60.30 H new ATOM 0 HB ILE A 7 4.159 -3.090 -0.479 1.00 31.54 H new ATOM 0 HG12 ILE A 7 2.251 -5.446 -0.701 1.00 51.41 H new ATOM 0 HG13 ILE A 7 3.998 -5.578 -0.661 1.00 51.41 H new ATOM 0 HG21 ILE A 7 1.957 -2.693 0.550 1.00 71.33 H new ATOM 0 HG22 ILE A 7 2.179 -1.721 -0.925 1.00 71.33 H new ATOM 0 HG23 ILE A 7 1.164 -3.183 -0.966 1.00 71.33 H new ATOM 0 HD11 ILE A 7 3.035 -6.031 1.542 1.00 24.34 H new ATOM 0 HD12 ILE A 7 4.037 -4.561 1.589 1.00 24.34 H new ATOM 0 HD13 ILE A 7 2.262 -4.428 1.549 1.00 24.34 H new ATOM 90 N LEU A 8 2.463 -1.671 -3.465 1.00 31.13 N ATOM 91 CA LEU A 8 2.456 -0.322 -4.017 1.00 50.33 C ATOM 92 C LEU A 8 1.739 0.647 -3.083 1.00 32.43 C ATOM 93 O LEU A 8 0.666 0.342 -2.560 1.00 22.33 O ATOM 94 CB LEU A 8 1.782 -0.315 -5.391 1.00 64.30 C ATOM 95 CG LEU A 8 2.003 0.936 -6.242 1.00 24.15 C ATOM 96 CD1 LEU A 8 1.193 2.101 -5.697 1.00 54.51 C ATOM 97 CD2 LEU A 8 3.482 1.292 -6.293 1.00 73.13 C ATOM 0 H LEU A 8 1.557 -2.140 -3.486 1.00 31.13 H new ATOM 0 HA LEU A 8 3.491 0.004 -4.124 1.00 50.33 H new ATOM 0 HB2 LEU A 8 2.138 -1.179 -5.952 1.00 64.30 H new ATOM 0 HB3 LEU A 8 0.710 -0.448 -5.248 1.00 64.30 H new ATOM 0 HG LEU A 8 1.664 0.726 -7.257 1.00 24.15 H new ATOM 0 HD11 LEU A 8 1.363 2.983 -6.315 1.00 54.51 H new ATOM 0 HD12 LEU A 8 0.133 1.846 -5.712 1.00 54.51 H new ATOM 0 HD13 LEU A 8 1.501 2.311 -4.673 1.00 54.51 H new ATOM 0 HD21 LEU A 8 3.621 2.185 -6.903 1.00 73.13 H new ATOM 0 HD22 LEU A 8 3.845 1.482 -5.283 1.00 73.13 H new ATOM 0 HD23 LEU A 8 4.041 0.464 -6.730 1.00 73.13 H new ATOM 109 N LEU A 9 2.337 1.815 -2.876 1.00 43.44 N ATOM 110 CA LEU A 9 1.754 2.831 -2.006 1.00 63.54 C ATOM 111 C LEU A 9 1.622 4.163 -2.736 1.00 30.15 C ATOM 112 O LEU A 9 2.512 4.562 -3.487 1.00 54.23 O ATOM 113 CB LEU A 9 2.611 3.006 -0.751 1.00 10.05 C ATOM 114 CG LEU A 9 1.905 3.610 0.463 1.00 13.05 C ATOM 115 CD1 LEU A 9 1.133 2.539 1.220 1.00 41.35 C ATOM 116 CD2 LEU A 9 2.910 4.293 1.380 1.00 61.52 C ATOM 0 H LEU A 9 3.226 2.082 -3.299 1.00 43.44 H new ATOM 0 HA LEU A 9 0.758 2.498 -1.715 1.00 63.54 H new ATOM 0 HB2 LEU A 9 3.009 2.031 -0.468 1.00 10.05 H new ATOM 0 HB3 LEU A 9 3.463 3.637 -1.002 1.00 10.05 H new ATOM 0 HG LEU A 9 1.196 4.360 0.111 1.00 13.05 H new ATOM 0 HD11 LEU A 9 0.637 2.988 2.081 1.00 41.35 H new ATOM 0 HD12 LEU A 9 0.386 2.095 0.562 1.00 41.35 H new ATOM 0 HD13 LEU A 9 1.822 1.766 1.560 1.00 41.35 H new ATOM 0 HD21 LEU A 9 2.389 4.717 2.239 1.00 61.52 H new ATOM 0 HD22 LEU A 9 3.643 3.563 1.724 1.00 61.52 H new ATOM 0 HD23 LEU A 9 3.418 5.088 0.835 1.00 61.52 H new ATOM 128 N VAL A 10 0.507 4.848 -2.508 1.00 53.45 N ATOM 129 CA VAL A 10 0.259 6.138 -3.141 1.00 41.42 C ATOM 130 C VAL A 10 0.150 7.249 -2.102 1.00 23.15 C ATOM 131 O VAL A 10 -0.876 7.391 -1.436 1.00 70.22 O ATOM 132 CB VAL A 10 -1.029 6.112 -3.985 1.00 71.31 C ATOM 133 CG1 VAL A 10 -1.170 7.397 -4.785 1.00 14.43 C ATOM 134 CG2 VAL A 10 -1.039 4.899 -4.903 1.00 21.04 C ATOM 0 H VAL A 10 -0.240 4.531 -1.889 1.00 53.45 H new ATOM 0 HA VAL A 10 1.108 6.337 -3.794 1.00 41.42 H new ATOM 0 HB VAL A 10 -1.883 6.037 -3.311 1.00 71.31 H new ATOM 0 HG11 VAL A 10 -2.086 7.360 -5.375 1.00 14.43 H new ATOM 0 HG12 VAL A 10 -1.211 8.247 -4.104 1.00 14.43 H new ATOM 0 HG13 VAL A 10 -0.314 7.507 -5.451 1.00 14.43 H new ATOM 0 HG21 VAL A 10 -1.956 4.896 -5.492 1.00 21.04 H new ATOM 0 HG22 VAL A 10 -0.179 4.941 -5.571 1.00 21.04 H new ATOM 0 HG23 VAL A 10 -0.989 3.989 -4.305 1.00 21.04 H new ATOM 144 N CYS A 11 1.214 8.033 -1.969 1.00 33.22 N ATOM 145 CA CYS A 11 1.238 9.131 -1.010 1.00 4.44 C ATOM 146 C CYS A 11 2.410 10.068 -1.285 1.00 51.02 C ATOM 147 O CYS A 11 2.219 11.235 -1.627 1.00 22.41 O ATOM 148 CB CYS A 11 1.328 8.589 0.417 1.00 12.12 C ATOM 149 SG CYS A 11 1.481 9.868 1.686 1.00 61.03 S ATOM 0 H CYS A 11 2.071 7.929 -2.513 1.00 33.22 H new ATOM 0 HA CYS A 11 0.312 9.695 -1.119 1.00 4.44 H new ATOM 0 HB2 CYS A 11 0.440 7.992 0.624 1.00 12.12 H new ATOM 0 HB3 CYS A 11 2.185 7.920 0.486 1.00 12.12 H new ATOM 0 HG CYS A 11 1.761 11.006 1.124 1.00 61.03 H new ATOM 232 N MET A 19 9.155 7.216 8.573 1.00 13.44 N ATOM 233 CA MET A 19 8.744 6.547 9.803 1.00 44.54 C ATOM 234 C MET A 19 7.992 5.257 9.494 1.00 55.20 C ATOM 235 O MET A 19 8.411 4.171 9.896 1.00 60.13 O ATOM 236 CB MET A 19 7.866 7.475 10.645 1.00 42.15 C ATOM 237 CG MET A 19 8.572 8.747 11.085 1.00 24.32 C ATOM 238 SD MET A 19 9.898 8.432 12.267 1.00 73.33 S ATOM 239 CE MET A 19 11.335 8.842 11.280 1.00 2.25 C ATOM 0 HA MET A 19 9.641 6.297 10.369 1.00 44.54 H new ATOM 0 HB2 MET A 19 6.979 7.742 10.071 1.00 42.15 H new ATOM 0 HB3 MET A 19 7.524 6.935 11.528 1.00 42.15 H new ATOM 0 HG2 MET A 19 8.982 9.251 10.210 1.00 24.32 H new ATOM 0 HG3 MET A 19 7.845 9.425 11.532 1.00 24.32 H new ATOM 0 HE1 MET A 19 12.238 8.697 11.874 1.00 2.25 H new ATOM 0 HE2 MET A 19 11.370 8.196 10.403 1.00 2.25 H new ATOM 0 HE3 MET A 19 11.273 9.883 10.962 1.00 2.25 H new ATOM 249 N LEU A 20 6.879 5.382 8.780 1.00 52.45 N ATOM 250 CA LEU A 20 6.068 4.225 8.418 1.00 51.54 C ATOM 251 C LEU A 20 6.921 3.147 7.758 1.00 15.31 C ATOM 252 O LEU A 20 6.880 1.982 8.152 1.00 73.50 O ATOM 253 CB LEU A 20 4.938 4.645 7.475 1.00 14.12 C ATOM 254 CG LEU A 20 3.601 4.978 8.138 1.00 73.31 C ATOM 255 CD1 LEU A 20 3.001 3.738 8.782 1.00 75.05 C ATOM 256 CD2 LEU A 20 3.776 6.084 9.168 1.00 50.01 C ATOM 0 H LEU A 20 6.517 6.273 8.440 1.00 52.45 H new ATOM 0 HA LEU A 20 5.638 3.814 9.331 1.00 51.54 H new ATOM 0 HB2 LEU A 20 5.268 5.517 6.910 1.00 14.12 H new ATOM 0 HB3 LEU A 20 4.774 3.842 6.756 1.00 14.12 H new ATOM 0 HG LEU A 20 2.915 5.331 7.369 1.00 73.31 H new ATOM 0 HD11 LEU A 20 2.050 3.994 9.249 1.00 75.05 H new ATOM 0 HD12 LEU A 20 2.838 2.975 8.021 1.00 75.05 H new ATOM 0 HD13 LEU A 20 3.685 3.354 9.539 1.00 75.05 H new ATOM 0 HD21 LEU A 20 2.814 6.307 9.629 1.00 50.01 H new ATOM 0 HD22 LEU A 20 4.479 5.759 9.935 1.00 50.01 H new ATOM 0 HD23 LEU A 20 4.160 6.979 8.679 1.00 50.01 H new ATOM 268 N VAL A 21 7.696 3.544 6.754 1.00 54.23 N ATOM 269 CA VAL A 21 8.561 2.613 6.041 1.00 44.00 C ATOM 270 C VAL A 21 9.514 1.906 6.999 1.00 44.40 C ATOM 271 O VAL A 21 9.701 0.693 6.920 1.00 24.33 O ATOM 272 CB VAL A 21 9.383 3.330 4.953 1.00 21.11 C ATOM 273 CG1 VAL A 21 10.297 2.346 4.239 1.00 65.42 C ATOM 274 CG2 VAL A 21 8.462 4.028 3.965 1.00 12.50 C ATOM 0 H VAL A 21 7.742 4.505 6.416 1.00 54.23 H new ATOM 0 HA VAL A 21 7.912 1.876 5.568 1.00 44.00 H new ATOM 0 HB VAL A 21 10.006 4.086 5.431 1.00 21.11 H new ATOM 0 HG11 VAL A 21 10.870 2.871 3.474 1.00 65.42 H new ATOM 0 HG12 VAL A 21 10.980 1.896 4.959 1.00 65.42 H new ATOM 0 HG13 VAL A 21 9.697 1.565 3.771 1.00 65.42 H new ATOM 0 HG21 VAL A 21 9.059 4.530 3.203 1.00 12.50 H new ATOM 0 HG22 VAL A 21 7.812 3.292 3.491 1.00 12.50 H new ATOM 0 HG23 VAL A 21 7.854 4.763 4.492 1.00 12.50 H new ATOM 284 N GLN A 22 10.113 2.674 7.903 1.00 3.50 N ATOM 285 CA GLN A 22 11.048 2.122 8.877 1.00 74.03 C ATOM 286 C GLN A 22 10.378 1.044 9.723 1.00 54.10 C ATOM 287 O GLN A 22 10.944 -0.025 9.946 1.00 24.03 O ATOM 288 CB GLN A 22 11.592 3.230 9.780 1.00 51.14 C ATOM 289 CG GLN A 22 13.095 3.158 9.993 1.00 65.25 C ATOM 290 CD GLN A 22 13.506 3.571 11.392 1.00 64.13 C ATOM 291 OE1 GLN A 22 13.536 2.751 12.310 1.00 22.32 O ATOM 292 NE2 GLN A 22 13.828 4.848 11.563 1.00 51.33 N ATOM 0 H GLN A 22 9.968 3.681 7.982 1.00 3.50 H new ATOM 0 HA GLN A 22 11.876 1.669 8.332 1.00 74.03 H new ATOM 0 HB2 GLN A 22 11.341 4.198 9.345 1.00 51.14 H new ATOM 0 HB3 GLN A 22 11.093 3.176 10.748 1.00 51.14 H new ATOM 0 HG2 GLN A 22 13.437 2.140 9.803 1.00 65.25 H new ATOM 0 HG3 GLN A 22 13.592 3.802 9.267 1.00 65.25 H new ATOM 0 HE21 GLN A 22 13.789 5.494 10.774 1.00 51.33 H new ATOM 0 HE22 GLN A 22 14.114 5.183 12.483 1.00 51.33 H new ATOM 301 N ARG A 23 9.167 1.333 10.192 1.00 43.45 N ATOM 302 CA ARG A 23 8.422 0.389 11.014 1.00 15.45 C ATOM 303 C ARG A 23 8.086 -0.873 10.225 1.00 20.42 C ATOM 304 O ARG A 23 8.146 -1.983 10.755 1.00 11.54 O ATOM 305 CB ARG A 23 7.136 1.037 11.531 1.00 34.14 C ATOM 306 CG ARG A 23 7.364 2.354 12.255 1.00 24.41 C ATOM 307 CD ARG A 23 7.117 2.218 13.749 1.00 31.14 C ATOM 308 NE ARG A 23 8.127 1.387 14.399 1.00 54.42 N ATOM 309 CZ ARG A 23 7.964 0.834 15.596 1.00 3.35 C ATOM 310 NH1 ARG A 23 6.839 1.024 16.271 1.00 32.41 N ATOM 311 NH2 ARG A 23 8.930 0.090 16.122 1.00 52.54 N ATOM 0 H ARG A 23 8.683 2.213 10.016 1.00 43.45 H new ATOM 0 HA ARG A 23 9.048 0.110 11.862 1.00 15.45 H new ATOM 0 HB2 ARG A 23 6.462 1.206 10.691 1.00 34.14 H new ATOM 0 HB3 ARG A 23 6.636 0.343 12.207 1.00 34.14 H new ATOM 0 HG2 ARG A 23 8.386 2.693 12.083 1.00 24.41 H new ATOM 0 HG3 ARG A 23 6.702 3.116 11.844 1.00 24.41 H new ATOM 0 HD2 ARG A 23 7.112 3.207 14.207 1.00 31.14 H new ATOM 0 HD3 ARG A 23 6.130 1.785 13.915 1.00 31.14 H new ATOM 0 HE ARG A 23 9.005 1.222 13.907 1.00 54.42 H new ATOM 0 HH11 ARG A 23 6.095 1.596 15.872 1.00 32.41 H new ATOM 0 HH12 ARG A 23 6.717 0.598 17.190 1.00 32.41 H new ATOM 0 HH21 ARG A 23 9.798 -0.057 15.607 1.00 52.54 H new ATOM 0 HH22 ARG A 23 8.804 -0.334 17.041 1.00 52.54 H new ATOM 325 N ILE A 24 7.733 -0.695 8.957 1.00 73.25 N ATOM 326 CA ILE A 24 7.389 -1.820 8.095 1.00 2.11 C ATOM 327 C ILE A 24 8.611 -2.685 7.805 1.00 3.45 C ATOM 328 O ILE A 24 8.602 -3.890 8.050 1.00 22.44 O ATOM 329 CB ILE A 24 6.784 -1.342 6.761 1.00 23.41 C ATOM 330 CG1 ILE A 24 5.521 -0.518 7.015 1.00 31.13 C ATOM 331 CG2 ILE A 24 6.476 -2.532 5.864 1.00 43.10 C ATOM 332 CD1 ILE A 24 5.195 0.449 5.900 1.00 43.43 C ATOM 0 H ILE A 24 7.677 0.217 8.503 1.00 73.25 H new ATOM 0 HA ILE A 24 6.647 -2.412 8.630 1.00 2.11 H new ATOM 0 HB ILE A 24 7.512 -0.708 6.254 1.00 23.41 H new ATOM 0 HG12 ILE A 24 4.678 -1.195 7.156 1.00 31.13 H new ATOM 0 HG13 ILE A 24 5.641 0.039 7.944 1.00 31.13 H new ATOM 0 HG21 ILE A 24 6.049 -2.179 4.925 1.00 43.10 H new ATOM 0 HG22 ILE A 24 7.395 -3.082 5.661 1.00 43.10 H new ATOM 0 HG23 ILE A 24 5.763 -3.189 6.363 1.00 43.10 H new ATOM 0 HD11 ILE A 24 4.287 0.999 6.149 1.00 43.43 H new ATOM 0 HD12 ILE A 24 6.020 1.150 5.773 1.00 43.43 H new ATOM 0 HD13 ILE A 24 5.042 -0.103 4.973 1.00 43.43 H new ATOM 344 N GLU A 25 9.662 -2.059 7.284 1.00 41.53 N ATOM 345 CA GLU A 25 10.892 -2.772 6.962 1.00 4.13 C ATOM 346 C GLU A 25 11.464 -3.456 8.201 1.00 64.32 C ATOM 347 O GLU A 25 12.023 -4.550 8.118 1.00 64.41 O ATOM 348 CB GLU A 25 11.927 -1.810 6.374 1.00 23.15 C ATOM 349 CG GLU A 25 12.461 -0.802 7.378 1.00 72.33 C ATOM 350 CD GLU A 25 13.473 0.149 6.768 1.00 22.44 C ATOM 351 OE1 GLU A 25 13.156 0.771 5.734 1.00 75.33 O ATOM 352 OE2 GLU A 25 14.584 0.270 7.328 1.00 74.32 O ATOM 0 H GLU A 25 9.686 -1.061 7.076 1.00 41.53 H new ATOM 0 HA GLU A 25 10.655 -3.536 6.222 1.00 4.13 H new ATOM 0 HB2 GLU A 25 12.760 -2.387 5.973 1.00 23.15 H new ATOM 0 HB3 GLU A 25 11.479 -1.274 5.537 1.00 23.15 H new ATOM 0 HG2 GLU A 25 11.630 -0.228 7.788 1.00 72.33 H new ATOM 0 HG3 GLU A 25 12.923 -1.333 8.210 1.00 72.33 H new ATOM 359 N LYS A 26 11.321 -2.803 9.349 1.00 62.14 N ATOM 360 CA LYS A 26 11.823 -3.347 10.606 1.00 13.52 C ATOM 361 C LYS A 26 11.049 -4.600 11.003 1.00 21.41 C ATOM 362 O LYS A 26 11.631 -5.672 11.171 1.00 33.05 O ATOM 363 CB LYS A 26 11.719 -2.298 11.716 1.00 11.32 C ATOM 364 CG LYS A 26 12.922 -1.373 11.792 1.00 54.33 C ATOM 365 CD LYS A 26 13.920 -1.840 12.838 1.00 15.11 C ATOM 366 CE LYS A 26 14.138 -0.783 13.911 1.00 63.14 C ATOM 367 NZ LYS A 26 15.520 -0.833 14.463 1.00 20.01 N ATOM 0 H LYS A 26 10.862 -1.896 9.435 1.00 62.14 H new ATOM 0 HA LYS A 26 12.870 -3.616 10.465 1.00 13.52 H new ATOM 0 HB2 LYS A 26 10.821 -1.701 11.557 1.00 11.32 H new ATOM 0 HB3 LYS A 26 11.600 -2.805 12.674 1.00 11.32 H new ATOM 0 HG2 LYS A 26 13.409 -1.328 10.818 1.00 54.33 H new ATOM 0 HG3 LYS A 26 12.590 -0.362 12.030 1.00 54.33 H new ATOM 0 HD2 LYS A 26 13.561 -2.760 13.300 1.00 15.11 H new ATOM 0 HD3 LYS A 26 14.870 -2.074 12.357 1.00 15.11 H new ATOM 0 HE2 LYS A 26 13.950 0.205 13.491 1.00 63.14 H new ATOM 0 HE3 LYS A 26 13.419 -0.929 14.717 1.00 63.14 H new ATOM 0 HZ1 LYS A 26 15.630 -0.098 15.191 1.00 20.01 H new ATOM 0 HZ2 LYS A 26 15.691 -1.768 14.886 1.00 20.01 H new ATOM 0 HZ3 LYS A 26 16.205 -0.668 13.698 1.00 20.01 H new ATOM 381 N TYR A 27 9.737 -4.459 11.150 1.00 73.15 N ATOM 382 CA TYR A 27 8.885 -5.580 11.527 1.00 34.13 C ATOM 383 C TYR A 27 9.122 -6.778 10.613 1.00 45.41 C ATOM 384 O TYR A 27 9.283 -7.905 11.078 1.00 62.42 O ATOM 385 CB TYR A 27 7.413 -5.168 11.476 1.00 75.10 C ATOM 386 CG TYR A 27 6.454 -6.320 11.683 1.00 4.44 C ATOM 387 CD1 TYR A 27 6.040 -7.106 10.615 1.00 2.34 C ATOM 388 CD2 TYR A 27 5.964 -6.622 12.948 1.00 5.31 C ATOM 389 CE1 TYR A 27 5.164 -8.159 10.801 1.00 42.21 C ATOM 390 CE2 TYR A 27 5.089 -7.673 13.143 1.00 5.31 C ATOM 391 CZ TYR A 27 4.692 -8.438 12.066 1.00 24.03 C ATOM 392 OH TYR A 27 3.821 -9.486 12.255 1.00 30.22 O ATOM 0 H TYR A 27 9.240 -3.579 11.014 1.00 73.15 H new ATOM 0 HA TYR A 27 9.140 -5.870 12.547 1.00 34.13 H new ATOM 0 HB2 TYR A 27 7.229 -4.412 12.239 1.00 75.10 H new ATOM 0 HB3 TYR A 27 7.207 -4.704 10.511 1.00 75.10 H new ATOM 0 HD1 TYR A 27 6.409 -6.891 9.623 1.00 2.34 H new ATOM 0 HD2 TYR A 27 6.273 -6.025 13.793 1.00 5.31 H new ATOM 0 HE1 TYR A 27 4.851 -8.760 9.960 1.00 42.21 H new ATOM 0 HE2 TYR A 27 4.718 -7.894 14.133 1.00 5.31 H new ATOM 0 HH TYR A 27 3.585 -9.548 13.204 1.00 30.22 H new ATOM 402 N ALA A 28 9.143 -6.523 9.309 1.00 43.53 N ATOM 403 CA ALA A 28 9.363 -7.578 8.328 1.00 31.22 C ATOM 404 C ALA A 28 10.766 -8.162 8.456 1.00 42.34 C ATOM 405 O ALA A 28 10.943 -9.380 8.482 1.00 0.51 O ATOM 406 CB ALA A 28 9.137 -7.046 6.921 1.00 2.10 C ATOM 0 H ALA A 28 9.010 -5.595 8.908 1.00 43.53 H new ATOM 0 HA ALA A 28 8.646 -8.376 8.522 1.00 31.22 H new ATOM 0 HB1 ALA A 28 9.305 -7.845 6.199 1.00 2.10 H new ATOM 0 HB2 ALA A 28 8.113 -6.683 6.829 1.00 2.10 H new ATOM 0 HB3 ALA A 28 9.831 -6.228 6.725 1.00 2.10 H new ATOM 412 N LYS A 29 11.762 -7.286 8.533 1.00 14.31 N ATOM 413 CA LYS A 29 13.150 -7.713 8.658 1.00 12.10 C ATOM 414 C LYS A 29 13.335 -8.611 9.877 1.00 25.24 C ATOM 415 O LYS A 29 14.178 -9.507 9.877 1.00 64.50 O ATOM 416 CB LYS A 29 14.073 -6.496 8.763 1.00 74.31 C ATOM 417 CG LYS A 29 15.543 -6.857 8.892 1.00 70.34 C ATOM 418 CD LYS A 29 16.431 -5.631 8.758 1.00 51.05 C ATOM 419 CE LYS A 29 17.020 -5.221 10.098 1.00 4.32 C ATOM 420 NZ LYS A 29 18.370 -5.811 10.315 1.00 44.23 N ATOM 0 H LYS A 29 11.633 -6.274 8.511 1.00 14.31 H new ATOM 0 HA LYS A 29 13.410 -8.282 7.766 1.00 12.10 H new ATOM 0 HB2 LYS A 29 13.937 -5.870 7.881 1.00 74.31 H new ATOM 0 HB3 LYS A 29 13.777 -5.899 9.626 1.00 74.31 H new ATOM 0 HG2 LYS A 29 15.719 -7.331 9.857 1.00 70.34 H new ATOM 0 HG3 LYS A 29 15.809 -7.585 8.126 1.00 70.34 H new ATOM 0 HD2 LYS A 29 17.236 -5.839 8.054 1.00 51.05 H new ATOM 0 HD3 LYS A 29 15.852 -4.805 8.345 1.00 51.05 H new ATOM 0 HE2 LYS A 29 17.086 -4.134 10.148 1.00 4.32 H new ATOM 0 HE3 LYS A 29 16.353 -5.537 10.900 1.00 4.32 H new ATOM 0 HZ1 LYS A 29 18.737 -5.507 11.240 1.00 44.23 H new ATOM 0 HZ2 LYS A 29 18.303 -6.849 10.293 1.00 44.23 H new ATOM 0 HZ3 LYS A 29 19.014 -5.489 9.564 1.00 44.23 H new ATOM 434 N SER A 30 12.540 -8.365 10.914 1.00 50.33 N ATOM 435 CA SER A 30 12.619 -9.150 12.140 1.00 34.53 C ATOM 436 C SER A 30 11.828 -10.448 12.005 1.00 20.23 C ATOM 437 O SER A 30 12.262 -11.504 12.466 1.00 72.10 O ATOM 438 CB SER A 30 12.090 -8.338 13.325 1.00 61.34 C ATOM 439 OG SER A 30 13.147 -7.933 14.176 1.00 25.15 O ATOM 0 H SER A 30 11.834 -7.629 10.929 1.00 50.33 H new ATOM 0 HA SER A 30 13.665 -9.399 12.317 1.00 34.53 H new ATOM 0 HB2 SER A 30 11.556 -7.461 12.960 1.00 61.34 H new ATOM 0 HB3 SER A 30 11.373 -8.935 13.889 1.00 61.34 H new ATOM 0 HG SER A 30 12.784 -7.415 14.924 1.00 25.15 H new ATOM 445 N LYS A 31 10.664 -10.361 11.370 1.00 21.34 N ATOM 446 CA LYS A 31 9.811 -11.526 11.173 1.00 71.34 C ATOM 447 C LYS A 31 10.399 -12.459 10.119 1.00 23.23 C ATOM 448 O LYS A 31 10.006 -13.619 10.014 1.00 72.41 O ATOM 449 CB LYS A 31 8.405 -11.090 10.754 1.00 61.30 C ATOM 450 CG LYS A 31 7.479 -10.817 11.927 1.00 53.11 C ATOM 451 CD LYS A 31 7.065 -12.103 12.623 1.00 62.54 C ATOM 452 CE LYS A 31 6.097 -11.834 13.764 1.00 63.03 C ATOM 453 NZ LYS A 31 6.684 -12.190 15.085 1.00 0.13 N ATOM 0 H LYS A 31 10.290 -9.495 10.983 1.00 21.34 H new ATOM 0 HA LYS A 31 9.752 -12.065 12.119 1.00 71.34 H new ATOM 0 HB2 LYS A 31 8.479 -10.190 10.143 1.00 61.30 H new ATOM 0 HB3 LYS A 31 7.965 -11.865 10.127 1.00 61.30 H new ATOM 0 HG2 LYS A 31 7.978 -10.161 12.640 1.00 53.11 H new ATOM 0 HG3 LYS A 31 6.592 -10.290 11.576 1.00 53.11 H new ATOM 0 HD2 LYS A 31 6.600 -12.775 11.901 1.00 62.54 H new ATOM 0 HD3 LYS A 31 7.950 -12.611 13.007 1.00 62.54 H new ATOM 0 HE2 LYS A 31 5.818 -10.780 13.763 1.00 63.03 H new ATOM 0 HE3 LYS A 31 5.183 -12.406 13.607 1.00 63.03 H new ATOM 0 HZ1 LYS A 31 5.993 -11.992 15.837 1.00 0.13 H new ATOM 0 HZ2 LYS A 31 6.927 -13.201 15.096 1.00 0.13 H new ATOM 0 HZ3 LYS A 31 7.543 -11.626 15.247 1.00 0.13 H new ATOM 467 N ASN A 32 11.346 -11.944 9.341 1.00 3.33 N ATOM 468 CA ASN A 32 11.990 -12.731 8.296 1.00 2.33 C ATOM 469 C ASN A 32 10.985 -13.136 7.223 1.00 52.42 C ATOM 470 O ASN A 32 10.819 -14.320 6.930 1.00 73.35 O ATOM 471 CB ASN A 32 12.642 -13.978 8.897 1.00 10.22 C ATOM 472 CG ASN A 32 13.673 -14.595 7.972 1.00 42.14 C ATOM 473 OD1 ASN A 32 14.111 -13.968 7.008 1.00 65.15 O ATOM 474 ND2 ASN A 32 14.065 -15.829 8.262 1.00 23.32 N ATOM 0 H ASN A 32 11.684 -10.985 9.415 1.00 3.33 H new ATOM 0 HA ASN A 32 12.760 -12.114 7.833 1.00 2.33 H new ATOM 0 HB2 ASN A 32 13.117 -13.716 9.843 1.00 10.22 H new ATOM 0 HB3 ASN A 32 11.871 -14.716 9.121 1.00 10.22 H new ATOM 0 HD21 ASN A 32 14.757 -16.296 7.675 1.00 23.32 H new ATOM 0 HD22 ASN A 32 13.675 -16.311 9.072 1.00 23.32 H new ATOM 481 N ILE A 33 10.318 -12.145 6.642 1.00 51.24 N ATOM 482 CA ILE A 33 9.331 -12.398 5.599 1.00 72.21 C ATOM 483 C ILE A 33 9.803 -11.862 4.252 1.00 21.25 C ATOM 484 O ILE A 33 10.449 -10.817 4.180 1.00 14.14 O ATOM 485 CB ILE A 33 7.972 -11.761 5.945 1.00 41.43 C ATOM 486 CG1 ILE A 33 7.449 -12.310 7.273 1.00 34.00 C ATOM 487 CG2 ILE A 33 6.969 -12.014 4.829 1.00 42.15 C ATOM 488 CD1 ILE A 33 6.410 -11.425 7.927 1.00 63.32 C ATOM 0 H ILE A 33 10.443 -11.160 6.875 1.00 51.24 H new ATOM 0 HA ILE A 33 9.211 -13.479 5.534 1.00 72.21 H new ATOM 0 HB ILE A 33 8.108 -10.684 6.048 1.00 41.43 H new ATOM 0 HG12 ILE A 33 7.019 -13.297 7.104 1.00 34.00 H new ATOM 0 HG13 ILE A 33 8.287 -12.440 7.958 1.00 34.00 H new ATOM 0 HG21 ILE A 33 6.014 -11.558 5.088 1.00 42.15 H new ATOM 0 HG22 ILE A 33 7.339 -11.578 3.901 1.00 42.15 H new ATOM 0 HG23 ILE A 33 6.835 -13.088 4.697 1.00 42.15 H new ATOM 0 HD11 ILE A 33 6.085 -11.877 8.864 1.00 63.32 H new ATOM 0 HD12 ILE A 33 6.842 -10.444 8.128 1.00 63.32 H new ATOM 0 HD13 ILE A 33 5.554 -11.315 7.261 1.00 63.32 H new ATOM 500 N ASN A 34 9.475 -12.584 3.185 1.00 23.35 N ATOM 501 CA ASN A 34 9.865 -12.181 1.840 1.00 52.45 C ATOM 502 C ASN A 34 8.841 -11.221 1.241 1.00 73.31 C ATOM 503 O ASN A 34 7.968 -11.629 0.475 1.00 53.45 O ATOM 504 CB ASN A 34 10.016 -13.409 0.940 1.00 62.30 C ATOM 505 CG ASN A 34 10.585 -14.603 1.683 1.00 43.22 C ATOM 506 OD1 ASN A 34 10.061 -15.714 1.589 1.00 43.54 O ATOM 507 ND2 ASN A 34 11.662 -14.378 2.426 1.00 31.54 N ATOM 0 H ASN A 34 8.940 -13.451 3.227 1.00 23.35 H new ATOM 0 HA ASN A 34 10.824 -11.667 1.906 1.00 52.45 H new ATOM 0 HB2 ASN A 34 9.044 -13.673 0.524 1.00 62.30 H new ATOM 0 HB3 ASN A 34 10.666 -13.163 0.100 1.00 62.30 H new ATOM 0 HD21 ASN A 34 12.090 -15.142 2.949 1.00 31.54 H new ATOM 0 HD22 ASN A 34 12.062 -13.441 2.474 1.00 31.54 H new ATOM 514 N ALA A 35 8.954 -9.946 1.597 1.00 34.40 N ATOM 515 CA ALA A 35 8.040 -8.929 1.093 1.00 2.32 C ATOM 516 C ALA A 35 8.713 -7.561 1.045 1.00 44.15 C ATOM 517 O ALA A 35 9.659 -7.296 1.788 1.00 41.05 O ATOM 518 CB ALA A 35 6.787 -8.871 1.954 1.00 34.32 C ATOM 0 H ALA A 35 9.669 -9.593 2.232 1.00 34.40 H new ATOM 0 HA ALA A 35 7.757 -9.203 0.077 1.00 2.32 H new ATOM 0 HB1 ALA A 35 6.114 -8.107 1.566 1.00 34.32 H new ATOM 0 HB2 ALA A 35 6.287 -9.839 1.934 1.00 34.32 H new ATOM 0 HB3 ALA A 35 7.061 -8.625 2.980 1.00 34.32 H new ATOM 524 N THR A 36 8.221 -6.695 0.166 1.00 55.03 N ATOM 525 CA THR A 36 8.776 -5.355 0.018 1.00 11.00 C ATOM 526 C THR A 36 7.705 -4.360 -0.413 1.00 75.23 C ATOM 527 O THR A 36 6.840 -4.681 -1.229 1.00 13.30 O ATOM 528 CB THR A 36 9.925 -5.332 -1.007 1.00 61.22 C ATOM 529 OG1 THR A 36 10.481 -4.016 -1.090 1.00 25.12 O ATOM 530 CG2 THR A 36 9.434 -5.769 -2.379 1.00 22.32 C ATOM 0 H THR A 36 7.438 -6.898 -0.455 1.00 55.03 H new ATOM 0 HA THR A 36 9.165 -5.065 0.994 1.00 11.00 H new ATOM 0 HB THR A 36 10.694 -6.030 -0.675 1.00 61.22 H new ATOM 0 HG1 THR A 36 11.212 -4.010 -1.743 1.00 25.12 H new ATOM 0 HG21 THR A 36 10.263 -5.745 -3.087 1.00 22.32 H new ATOM 0 HG22 THR A 36 9.038 -6.783 -2.318 1.00 22.32 H new ATOM 0 HG23 THR A 36 8.649 -5.093 -2.717 1.00 22.32 H new ATOM 538 N ILE A 37 7.769 -3.152 0.137 1.00 71.42 N ATOM 539 CA ILE A 37 6.805 -2.110 -0.194 1.00 32.22 C ATOM 540 C ILE A 37 7.499 -0.883 -0.774 1.00 63.32 C ATOM 541 O ILE A 37 8.640 -0.581 -0.427 1.00 23.31 O ATOM 542 CB ILE A 37 5.987 -1.687 1.041 1.00 62.51 C ATOM 543 CG1 ILE A 37 4.869 -0.727 0.635 1.00 54.22 C ATOM 544 CG2 ILE A 37 6.894 -1.044 2.081 1.00 72.43 C ATOM 545 CD1 ILE A 37 3.823 -0.527 1.709 1.00 31.25 C ATOM 0 H ILE A 37 8.478 -2.871 0.814 1.00 71.42 H new ATOM 0 HA ILE A 37 6.131 -2.530 -0.940 1.00 32.22 H new ATOM 0 HB ILE A 37 5.534 -2.576 1.481 1.00 62.51 H new ATOM 0 HG12 ILE A 37 5.305 0.239 0.380 1.00 54.22 H new ATOM 0 HG13 ILE A 37 4.385 -1.106 -0.265 1.00 54.22 H new ATOM 0 HG21 ILE A 37 6.302 -0.750 2.948 1.00 72.43 H new ATOM 0 HG22 ILE A 37 7.658 -1.758 2.388 1.00 72.43 H new ATOM 0 HG23 ILE A 37 7.372 -0.163 1.652 1.00 72.43 H new ATOM 0 HD11 ILE A 37 3.062 0.166 1.351 1.00 31.25 H new ATOM 0 HD12 ILE A 37 3.359 -1.484 1.948 1.00 31.25 H new ATOM 0 HD13 ILE A 37 4.293 -0.119 2.603 1.00 31.25 H new ATOM 557 N GLU A 38 6.802 -0.180 -1.660 1.00 54.33 N ATOM 558 CA GLU A 38 7.352 1.016 -2.289 1.00 61.31 C ATOM 559 C GLU A 38 6.246 2.014 -2.621 1.00 4.34 C ATOM 560 O GLU A 38 5.118 1.628 -2.926 1.00 3.34 O ATOM 561 CB GLU A 38 8.117 0.644 -3.560 1.00 60.13 C ATOM 562 CG GLU A 38 9.028 1.750 -4.068 1.00 15.21 C ATOM 563 CD GLU A 38 10.267 1.922 -3.212 1.00 41.43 C ATOM 564 OE1 GLU A 38 10.439 1.141 -2.253 1.00 10.50 O ATOM 565 OE2 GLU A 38 11.065 2.838 -3.501 1.00 12.53 O ATOM 0 H GLU A 38 5.856 -0.417 -1.959 1.00 54.33 H new ATOM 0 HA GLU A 38 8.039 1.483 -1.584 1.00 61.31 H new ATOM 0 HB2 GLU A 38 8.714 -0.247 -3.367 1.00 60.13 H new ATOM 0 HB3 GLU A 38 7.403 0.386 -4.342 1.00 60.13 H new ATOM 0 HG2 GLU A 38 9.326 1.528 -5.093 1.00 15.21 H new ATOM 0 HG3 GLU A 38 8.475 2.689 -4.093 1.00 15.21 H new ATOM 572 N ALA A 39 6.579 3.299 -2.558 1.00 54.33 N ATOM 573 CA ALA A 39 5.616 4.353 -2.853 1.00 54.25 C ATOM 574 C ALA A 39 6.060 5.181 -4.054 1.00 15.32 C ATOM 575 O ALA A 39 7.254 5.352 -4.295 1.00 43.11 O ATOM 576 CB ALA A 39 5.421 5.245 -1.636 1.00 42.54 C ATOM 0 H ALA A 39 7.508 3.635 -2.305 1.00 54.33 H new ATOM 0 HA ALA A 39 4.664 3.883 -3.101 1.00 54.25 H new ATOM 0 HB1 ALA A 39 4.699 6.028 -1.870 1.00 42.54 H new ATOM 0 HB2 ALA A 39 5.051 4.648 -0.803 1.00 42.54 H new ATOM 0 HB3 ALA A 39 6.373 5.700 -1.362 1.00 42.54 H new ATOM 582 N ILE A 40 5.089 5.693 -4.804 1.00 62.23 N ATOM 583 CA ILE A 40 5.380 6.504 -5.980 1.00 24.33 C ATOM 584 C ILE A 40 4.263 7.507 -6.248 1.00 21.42 C ATOM 585 O ILE A 40 3.249 7.521 -5.550 1.00 4.50 O ATOM 586 CB ILE A 40 5.581 5.629 -7.231 1.00 42.25 C ATOM 587 CG1 ILE A 40 4.624 4.435 -7.204 1.00 41.45 C ATOM 588 CG2 ILE A 40 7.024 5.156 -7.322 1.00 35.13 C ATOM 589 CD1 ILE A 40 3.164 4.832 -7.193 1.00 34.02 C ATOM 0 H ILE A 40 4.095 5.561 -4.618 1.00 62.23 H new ATOM 0 HA ILE A 40 6.304 7.042 -5.771 1.00 24.33 H new ATOM 0 HB ILE A 40 5.360 6.228 -8.114 1.00 42.25 H new ATOM 0 HG12 ILE A 40 4.815 3.807 -8.074 1.00 41.45 H new ATOM 0 HG13 ILE A 40 4.835 3.830 -6.322 1.00 41.45 H new ATOM 0 HG21 ILE A 40 7.149 4.539 -8.212 1.00 35.13 H new ATOM 0 HG22 ILE A 40 7.687 6.019 -7.383 1.00 35.13 H new ATOM 0 HG23 ILE A 40 7.272 4.571 -6.437 1.00 35.13 H new ATOM 0 HD11 ILE A 40 2.543 3.936 -7.174 1.00 34.02 H new ATOM 0 HD12 ILE A 40 2.958 5.435 -6.309 1.00 34.02 H new ATOM 0 HD13 ILE A 40 2.938 5.411 -8.088 1.00 34.02 H new ATOM 601 N ALA A 41 4.455 8.341 -7.264 1.00 14.03 N ATOM 602 CA ALA A 41 3.461 9.344 -7.626 1.00 44.05 C ATOM 603 C ALA A 41 2.310 8.719 -8.408 1.00 13.44 C ATOM 604 O ALA A 41 2.379 7.558 -8.810 1.00 11.13 O ATOM 605 CB ALA A 41 4.107 10.458 -8.436 1.00 4.32 C ATOM 0 H ALA A 41 5.289 8.342 -7.851 1.00 14.03 H new ATOM 0 HA ALA A 41 3.055 9.766 -6.707 1.00 44.05 H new ATOM 0 HB1 ALA A 41 3.353 11.200 -8.700 1.00 4.32 H new ATOM 0 HB2 ALA A 41 4.891 10.931 -7.844 1.00 4.32 H new ATOM 0 HB3 ALA A 41 4.540 10.042 -9.346 1.00 4.32 H new ATOM 611 N GLU A 42 1.253 9.497 -8.619 1.00 50.42 N ATOM 612 CA GLU A 42 0.086 9.018 -9.351 1.00 64.21 C ATOM 613 C GLU A 42 0.369 8.966 -10.850 1.00 40.24 C ATOM 614 O GLU A 42 -0.235 8.180 -11.581 1.00 11.32 O ATOM 615 CB GLU A 42 -1.120 9.919 -9.079 1.00 24.32 C ATOM 616 CG GLU A 42 -0.856 11.389 -9.353 1.00 41.43 C ATOM 617 CD GLU A 42 -1.585 11.893 -10.584 1.00 73.53 C ATOM 618 OE1 GLU A 42 -2.815 12.095 -10.504 1.00 60.22 O ATOM 619 OE2 GLU A 42 -0.925 12.086 -11.626 1.00 74.14 O ATOM 0 H GLU A 42 1.181 10.461 -8.294 1.00 50.42 H new ATOM 0 HA GLU A 42 -0.139 8.009 -9.006 1.00 64.21 H new ATOM 0 HB2 GLU A 42 -1.956 9.588 -9.695 1.00 24.32 H new ATOM 0 HB3 GLU A 42 -1.424 9.801 -8.039 1.00 24.32 H new ATOM 0 HG2 GLU A 42 -1.162 11.977 -8.488 1.00 41.43 H new ATOM 0 HG3 GLU A 42 0.215 11.544 -9.481 1.00 41.43 H new ATOM 626 N THR A 43 1.290 9.812 -11.303 1.00 23.43 N ATOM 627 CA THR A 43 1.652 9.864 -12.714 1.00 12.13 C ATOM 628 C THR A 43 2.242 8.539 -13.180 1.00 73.20 C ATOM 629 O THR A 43 2.023 8.116 -14.315 1.00 42.23 O ATOM 630 CB THR A 43 2.665 10.990 -12.992 1.00 40.41 C ATOM 631 OG1 THR A 43 3.001 11.014 -14.383 1.00 42.44 O ATOM 632 CG2 THR A 43 3.926 10.801 -12.162 1.00 70.43 C ATOM 0 H THR A 43 1.798 10.470 -10.713 1.00 23.43 H new ATOM 0 HA THR A 43 0.735 10.064 -13.268 1.00 12.13 H new ATOM 0 HB THR A 43 2.206 11.939 -12.714 1.00 40.41 H new ATOM 0 HG1 THR A 43 3.644 11.734 -14.552 1.00 42.44 H new ATOM 0 HG21 THR A 43 4.627 11.608 -12.375 1.00 70.43 H new ATOM 0 HG22 THR A 43 3.670 10.814 -11.103 1.00 70.43 H new ATOM 0 HG23 THR A 43 4.387 9.845 -12.412 1.00 70.43 H new ATOM 640 N ARG A 44 2.990 7.885 -12.297 1.00 11.41 N ATOM 641 CA ARG A 44 3.612 6.608 -12.619 1.00 71.32 C ATOM 642 C ARG A 44 2.832 5.452 -12.000 1.00 25.14 C ATOM 643 O ARG A 44 3.121 4.283 -12.261 1.00 74.24 O ATOM 644 CB ARG A 44 5.060 6.582 -12.127 1.00 1.44 C ATOM 645 CG ARG A 44 5.837 7.847 -12.451 1.00 50.04 C ATOM 646 CD ARG A 44 6.195 8.621 -11.192 1.00 61.34 C ATOM 647 NE ARG A 44 6.856 9.886 -11.497 1.00 1.51 N ATOM 648 CZ ARG A 44 7.590 10.563 -10.620 1.00 31.23 C ATOM 649 NH1 ARG A 44 7.756 10.095 -9.390 1.00 30.23 N ATOM 650 NH2 ARG A 44 8.160 11.708 -10.971 1.00 71.35 N ATOM 0 H ARG A 44 3.180 8.220 -11.352 1.00 11.41 H new ATOM 0 HA ARG A 44 3.602 6.491 -13.703 1.00 71.32 H new ATOM 0 HB2 ARG A 44 5.065 6.429 -11.048 1.00 1.44 H new ATOM 0 HB3 ARG A 44 5.571 5.728 -12.572 1.00 1.44 H new ATOM 0 HG2 ARG A 44 6.748 7.587 -12.991 1.00 50.04 H new ATOM 0 HG3 ARG A 44 5.244 8.480 -13.112 1.00 50.04 H new ATOM 0 HD2 ARG A 44 5.290 8.814 -10.616 1.00 61.34 H new ATOM 0 HD3 ARG A 44 6.848 8.013 -10.566 1.00 61.34 H new ATOM 0 HE ARG A 44 6.749 10.272 -12.435 1.00 1.51 H new ATOM 0 HH11 ARG A 44 7.320 9.214 -9.116 1.00 30.23 H new ATOM 0 HH12 ARG A 44 8.320 10.616 -8.718 1.00 30.23 H new ATOM 0 HH21 ARG A 44 8.036 12.071 -11.916 1.00 71.35 H new ATOM 0 HH22 ARG A 44 8.723 12.226 -10.296 1.00 71.35 H new ATOM 664 N LEU A 45 1.844 5.786 -11.177 1.00 21.53 N ATOM 665 CA LEU A 45 1.022 4.776 -10.519 1.00 71.22 C ATOM 666 C LEU A 45 0.444 3.797 -11.537 1.00 11.34 C ATOM 667 O LEU A 45 0.546 2.582 -11.372 1.00 22.23 O ATOM 668 CB LEU A 45 -0.110 5.443 -9.735 1.00 64.43 C ATOM 669 CG LEU A 45 -1.300 4.549 -9.385 1.00 74.20 C ATOM 670 CD1 LEU A 45 -1.833 4.890 -8.002 1.00 33.52 C ATOM 671 CD2 LEU A 45 -2.396 4.689 -10.431 1.00 35.34 C ATOM 0 H LEU A 45 1.593 6.748 -10.949 1.00 21.53 H new ATOM 0 HA LEU A 45 1.656 4.221 -9.828 1.00 71.22 H new ATOM 0 HB2 LEU A 45 0.303 5.844 -8.809 1.00 64.43 H new ATOM 0 HB3 LEU A 45 -0.476 6.291 -10.314 1.00 64.43 H new ATOM 0 HG LEU A 45 -0.963 3.512 -9.377 1.00 74.20 H new ATOM 0 HD11 LEU A 45 -2.680 4.244 -7.769 1.00 33.52 H new ATOM 0 HD12 LEU A 45 -1.047 4.739 -7.262 1.00 33.52 H new ATOM 0 HD13 LEU A 45 -2.155 5.931 -7.983 1.00 33.52 H new ATOM 0 HD21 LEU A 45 -3.236 4.046 -10.167 1.00 35.34 H new ATOM 0 HD22 LEU A 45 -2.731 5.725 -10.470 1.00 35.34 H new ATOM 0 HD23 LEU A 45 -2.008 4.396 -11.406 1.00 35.34 H new ATOM 683 N SER A 46 -0.163 4.336 -12.589 1.00 21.50 N ATOM 684 CA SER A 46 -0.759 3.511 -13.633 1.00 63.40 C ATOM 685 C SER A 46 0.320 2.848 -14.485 1.00 12.11 C ATOM 686 O SER A 46 0.029 1.981 -15.309 1.00 4.42 O ATOM 687 CB SER A 46 -1.676 4.356 -14.519 1.00 14.11 C ATOM 688 OG SER A 46 -2.970 4.469 -13.952 1.00 21.40 O ATOM 0 H SER A 46 -0.255 5.340 -12.741 1.00 21.50 H new ATOM 0 HA SER A 46 -1.348 2.730 -13.152 1.00 63.40 H new ATOM 0 HB2 SER A 46 -1.245 5.349 -14.651 1.00 14.11 H new ATOM 0 HB3 SER A 46 -1.747 3.905 -15.509 1.00 14.11 H new ATOM 0 HG SER A 46 -3.537 5.015 -14.536 1.00 21.40 H new ATOM 694 N GLU A 47 1.565 3.262 -14.278 1.00 4.13 N ATOM 695 CA GLU A 47 2.688 2.709 -15.026 1.00 43.55 C ATOM 696 C GLU A 47 3.469 1.709 -14.178 1.00 53.01 C ATOM 697 O GLU A 47 4.440 1.110 -14.641 1.00 13.51 O ATOM 698 CB GLU A 47 3.618 3.830 -15.497 1.00 34.21 C ATOM 699 CG GLU A 47 3.924 3.783 -16.984 1.00 41.04 C ATOM 700 CD GLU A 47 5.410 3.855 -17.276 1.00 60.30 C ATOM 701 OE1 GLU A 47 6.024 4.900 -16.975 1.00 51.32 O ATOM 702 OE2 GLU A 47 5.960 2.867 -17.806 1.00 31.32 O ATOM 0 H GLU A 47 1.822 3.978 -13.599 1.00 4.13 H new ATOM 0 HA GLU A 47 2.289 2.187 -15.896 1.00 43.55 H new ATOM 0 HB2 GLU A 47 3.164 4.792 -15.258 1.00 34.21 H new ATOM 0 HB3 GLU A 47 4.553 3.773 -14.940 1.00 34.21 H new ATOM 0 HG2 GLU A 47 3.519 2.863 -17.406 1.00 41.04 H new ATOM 0 HG3 GLU A 47 3.419 4.611 -17.481 1.00 41.04 H new ATOM 709 N VAL A 48 3.036 1.533 -12.933 1.00 50.22 N ATOM 710 CA VAL A 48 3.693 0.606 -12.020 1.00 52.30 C ATOM 711 C VAL A 48 2.713 -0.440 -11.502 1.00 31.35 C ATOM 712 O VAL A 48 3.082 -1.592 -11.271 1.00 70.20 O ATOM 713 CB VAL A 48 4.318 1.345 -10.822 1.00 54.55 C ATOM 714 CG1 VAL A 48 5.363 2.343 -11.298 1.00 1.45 C ATOM 715 CG2 VAL A 48 3.240 2.040 -10.004 1.00 70.42 C ATOM 0 H VAL A 48 2.233 2.020 -12.534 1.00 50.22 H new ATOM 0 HA VAL A 48 4.484 0.112 -12.585 1.00 52.30 H new ATOM 0 HB VAL A 48 4.812 0.613 -10.183 1.00 54.55 H new ATOM 0 HG11 VAL A 48 5.794 2.856 -10.438 1.00 1.45 H new ATOM 0 HG12 VAL A 48 6.150 1.816 -11.838 1.00 1.45 H new ATOM 0 HG13 VAL A 48 4.895 3.073 -11.959 1.00 1.45 H new ATOM 0 HG21 VAL A 48 3.699 2.557 -9.162 1.00 70.42 H new ATOM 0 HG22 VAL A 48 2.716 2.762 -10.631 1.00 70.42 H new ATOM 0 HG23 VAL A 48 2.531 1.300 -9.633 1.00 70.42 H new ATOM 725 N VAL A 49 1.461 -0.034 -11.321 1.00 13.41 N ATOM 726 CA VAL A 49 0.426 -0.936 -10.831 1.00 53.10 C ATOM 727 C VAL A 49 0.193 -2.085 -11.806 1.00 21.32 C ATOM 728 O VAL A 49 -0.315 -3.140 -11.426 1.00 74.12 O ATOM 729 CB VAL A 49 -0.904 -0.194 -10.602 1.00 55.34 C ATOM 730 CG1 VAL A 49 -0.760 0.830 -9.486 1.00 74.23 C ATOM 731 CG2 VAL A 49 -1.371 0.471 -11.888 1.00 41.15 C ATOM 0 H VAL A 49 1.138 0.916 -11.507 1.00 13.41 H new ATOM 0 HA VAL A 49 0.778 -1.335 -9.880 1.00 53.10 H new ATOM 0 HB VAL A 49 -1.658 -0.921 -10.300 1.00 55.34 H new ATOM 0 HG11 VAL A 49 -1.710 1.344 -9.339 1.00 74.23 H new ATOM 0 HG12 VAL A 49 -0.474 0.325 -8.563 1.00 74.23 H new ATOM 0 HG13 VAL A 49 0.007 1.556 -9.755 1.00 74.23 H new ATOM 0 HG21 VAL A 49 -2.312 0.991 -11.708 1.00 41.15 H new ATOM 0 HG22 VAL A 49 -0.619 1.187 -12.221 1.00 41.15 H new ATOM 0 HG23 VAL A 49 -1.517 -0.287 -12.658 1.00 41.15 H new ATOM 741 N ASP A 50 0.568 -1.873 -13.062 1.00 62.15 N ATOM 742 CA ASP A 50 0.401 -2.893 -14.092 1.00 1.51 C ATOM 743 C ASP A 50 1.317 -4.084 -13.830 1.00 34.24 C ATOM 744 O ASP A 50 1.107 -5.170 -14.369 1.00 30.30 O ATOM 745 CB ASP A 50 0.692 -2.304 -15.473 1.00 43.34 C ATOM 746 CG ASP A 50 -0.425 -2.570 -16.463 1.00 3.23 C ATOM 747 OD1 ASP A 50 -0.708 -3.756 -16.735 1.00 12.25 O ATOM 748 OD2 ASP A 50 -1.017 -1.592 -16.966 1.00 50.13 O ATOM 0 H ASP A 50 0.990 -1.005 -13.392 1.00 62.15 H new ATOM 0 HA ASP A 50 -0.632 -3.239 -14.063 1.00 1.51 H new ATOM 0 HB2 ASP A 50 0.844 -1.229 -15.381 1.00 43.34 H new ATOM 0 HB3 ASP A 50 1.621 -2.726 -15.856 1.00 43.34 H new ATOM 753 N ARG A 51 2.333 -3.872 -13.000 1.00 34.51 N ATOM 754 CA ARG A 51 3.281 -4.928 -12.668 1.00 22.33 C ATOM 755 C ARG A 51 3.240 -5.247 -11.177 1.00 64.20 C ATOM 756 O ARG A 51 3.421 -6.396 -10.772 1.00 14.20 O ATOM 757 CB ARG A 51 4.698 -4.516 -13.074 1.00 30.31 C ATOM 758 CG ARG A 51 4.788 -3.950 -14.481 1.00 4.03 C ATOM 759 CD ARG A 51 5.865 -4.649 -15.296 1.00 31.24 C ATOM 760 NE ARG A 51 5.955 -4.120 -16.654 1.00 41.20 N ATOM 761 CZ ARG A 51 6.606 -4.729 -17.638 1.00 11.01 C ATOM 762 NH1 ARG A 51 7.221 -5.882 -17.417 1.00 22.21 N ATOM 763 NH2 ARG A 51 6.642 -4.184 -18.848 1.00 5.10 N ATOM 0 H ARG A 51 2.521 -2.978 -12.545 1.00 34.51 H new ATOM 0 HA ARG A 51 2.997 -5.824 -13.221 1.00 22.33 H new ATOM 0 HB2 ARG A 51 5.067 -3.772 -12.368 1.00 30.31 H new ATOM 0 HB3 ARG A 51 5.355 -5.382 -12.997 1.00 30.31 H new ATOM 0 HG2 ARG A 51 3.825 -4.058 -14.980 1.00 4.03 H new ATOM 0 HG3 ARG A 51 5.003 -2.883 -14.432 1.00 4.03 H new ATOM 0 HD2 ARG A 51 6.828 -4.534 -14.798 1.00 31.24 H new ATOM 0 HD3 ARG A 51 5.652 -5.717 -15.337 1.00 31.24 H new ATOM 0 HE ARG A 51 5.492 -3.234 -16.858 1.00 41.20 H new ATOM 0 HH11 ARG A 51 7.195 -6.304 -16.489 1.00 22.21 H new ATOM 0 HH12 ARG A 51 7.720 -6.347 -18.175 1.00 22.21 H new ATOM 0 HH21 ARG A 51 6.169 -3.297 -19.022 1.00 5.10 H new ATOM 0 HH22 ARG A 51 7.142 -4.652 -19.604 1.00 5.10 H new ATOM 777 N PHE A 52 3.002 -4.223 -10.363 1.00 74.05 N ATOM 778 CA PHE A 52 2.939 -4.394 -8.917 1.00 61.23 C ATOM 779 C PHE A 52 1.876 -5.421 -8.537 1.00 20.04 C ATOM 780 O PHE A 52 1.212 -5.992 -9.402 1.00 15.42 O ATOM 781 CB PHE A 52 2.639 -3.057 -8.237 1.00 72.30 C ATOM 782 CG PHE A 52 3.863 -2.365 -7.708 1.00 75.30 C ATOM 783 CD1 PHE A 52 4.495 -2.825 -6.565 1.00 70.55 C ATOM 784 CD2 PHE A 52 4.380 -1.253 -8.354 1.00 75.43 C ATOM 785 CE1 PHE A 52 5.622 -2.191 -6.076 1.00 64.04 C ATOM 786 CE2 PHE A 52 5.506 -0.615 -7.870 1.00 73.34 C ATOM 787 CZ PHE A 52 6.127 -1.084 -6.729 1.00 62.34 C ATOM 0 H PHE A 52 2.850 -3.266 -10.681 1.00 74.05 H new ATOM 0 HA PHE A 52 3.908 -4.757 -8.576 1.00 61.23 H new ATOM 0 HB2 PHE A 52 2.140 -2.400 -8.949 1.00 72.30 H new ATOM 0 HB3 PHE A 52 1.943 -3.225 -7.415 1.00 72.30 H new ATOM 0 HD1 PHE A 52 4.103 -3.689 -6.049 1.00 70.55 H new ATOM 0 HD2 PHE A 52 3.897 -0.881 -9.246 1.00 75.43 H new ATOM 0 HE1 PHE A 52 6.107 -2.561 -5.185 1.00 64.04 H new ATOM 0 HE2 PHE A 52 5.900 0.250 -8.383 1.00 73.34 H new ATOM 0 HZ PHE A 52 7.006 -0.586 -6.348 1.00 62.34 H new ATOM 797 N ASP A 53 1.723 -5.652 -7.237 1.00 43.53 N ATOM 798 CA ASP A 53 0.741 -6.609 -6.741 1.00 43.44 C ATOM 799 C ASP A 53 -0.447 -5.890 -6.108 1.00 64.43 C ATOM 800 O ASP A 53 -1.546 -5.881 -6.662 1.00 33.01 O ATOM 801 CB ASP A 53 1.386 -7.550 -5.722 1.00 72.14 C ATOM 802 CG ASP A 53 2.334 -8.541 -6.368 1.00 74.31 C ATOM 803 OD1 ASP A 53 2.387 -8.585 -7.615 1.00 61.23 O ATOM 804 OD2 ASP A 53 3.024 -9.272 -5.627 1.00 53.14 O ATOM 0 H ASP A 53 2.267 -5.189 -6.508 1.00 43.53 H new ATOM 0 HA ASP A 53 0.379 -7.194 -7.587 1.00 43.44 H new ATOM 0 HB2 ASP A 53 1.929 -6.962 -4.982 1.00 72.14 H new ATOM 0 HB3 ASP A 53 0.606 -8.093 -5.188 1.00 72.14 H new ATOM 809 N VAL A 54 -0.217 -5.290 -4.944 1.00 62.41 N ATOM 810 CA VAL A 54 -1.268 -4.570 -4.236 1.00 51.22 C ATOM 811 C VAL A 54 -1.030 -3.065 -4.282 1.00 43.24 C ATOM 812 O VAL A 54 0.091 -2.609 -4.506 1.00 63.14 O ATOM 813 CB VAL A 54 -1.363 -5.018 -2.766 1.00 1.43 C ATOM 814 CG1 VAL A 54 -0.166 -4.511 -1.975 1.00 34.44 C ATOM 815 CG2 VAL A 54 -2.665 -4.536 -2.145 1.00 34.34 C ATOM 0 H VAL A 54 0.687 -5.289 -4.472 1.00 62.41 H new ATOM 0 HA VAL A 54 -2.206 -4.803 -4.741 1.00 51.22 H new ATOM 0 HB VAL A 54 -1.354 -6.108 -2.735 1.00 1.43 H new ATOM 0 HG11 VAL A 54 -0.250 -4.837 -0.938 1.00 34.44 H new ATOM 0 HG12 VAL A 54 0.751 -4.910 -2.408 1.00 34.44 H new ATOM 0 HG13 VAL A 54 -0.141 -3.422 -2.012 1.00 34.44 H new ATOM 0 HG21 VAL A 54 -2.715 -4.862 -1.106 1.00 34.34 H new ATOM 0 HG22 VAL A 54 -2.707 -3.448 -2.186 1.00 34.34 H new ATOM 0 HG23 VAL A 54 -3.508 -4.953 -2.697 1.00 34.34 H new ATOM 825 N VAL A 55 -2.093 -2.296 -4.070 1.00 2.25 N ATOM 826 CA VAL A 55 -2.000 -0.841 -4.086 1.00 1.45 C ATOM 827 C VAL A 55 -2.577 -0.239 -2.809 1.00 64.21 C ATOM 828 O VAL A 55 -3.503 -0.790 -2.214 1.00 32.43 O ATOM 829 CB VAL A 55 -2.738 -0.245 -5.300 1.00 2.54 C ATOM 830 CG1 VAL A 55 -2.463 1.247 -5.411 1.00 64.51 C ATOM 831 CG2 VAL A 55 -2.332 -0.967 -6.575 1.00 72.24 C ATOM 0 H VAL A 55 -3.029 -2.657 -3.885 1.00 2.25 H new ATOM 0 HA VAL A 55 -0.941 -0.592 -4.155 1.00 1.45 H new ATOM 0 HB VAL A 55 -3.810 -0.383 -5.157 1.00 2.54 H new ATOM 0 HG11 VAL A 55 -2.992 1.651 -6.274 1.00 64.51 H new ATOM 0 HG12 VAL A 55 -2.807 1.749 -4.507 1.00 64.51 H new ATOM 0 HG13 VAL A 55 -1.392 1.412 -5.532 1.00 64.51 H new ATOM 0 HG21 VAL A 55 -2.862 -0.534 -7.423 1.00 72.24 H new ATOM 0 HG22 VAL A 55 -1.258 -0.862 -6.727 1.00 72.24 H new ATOM 0 HG23 VAL A 55 -2.584 -2.024 -6.491 1.00 72.24 H new ATOM 841 N LEU A 56 -2.023 0.894 -2.394 1.00 44.21 N ATOM 842 CA LEU A 56 -2.482 1.574 -1.187 1.00 61.40 C ATOM 843 C LEU A 56 -2.581 3.079 -1.413 1.00 31.20 C ATOM 844 O LEU A 56 -1.941 3.626 -2.312 1.00 31.42 O ATOM 845 CB LEU A 56 -1.533 1.281 -0.022 1.00 54.53 C ATOM 846 CG LEU A 56 -1.715 -0.070 0.669 1.00 32.34 C ATOM 847 CD1 LEU A 56 -0.768 -1.103 0.080 1.00 44.05 C ATOM 848 CD2 LEU A 56 -1.495 0.064 2.169 1.00 71.12 C ATOM 0 H LEU A 56 -1.255 1.362 -2.875 1.00 44.21 H new ATOM 0 HA LEU A 56 -3.475 1.198 -0.942 1.00 61.40 H new ATOM 0 HB2 LEU A 56 -0.509 1.343 -0.390 1.00 54.53 H new ATOM 0 HB3 LEU A 56 -1.652 2.067 0.724 1.00 54.53 H new ATOM 0 HG LEU A 56 -2.738 -0.407 0.501 1.00 32.34 H new ATOM 0 HD11 LEU A 56 -0.912 -2.058 0.585 1.00 44.05 H new ATOM 0 HD12 LEU A 56 -0.973 -1.220 -0.984 1.00 44.05 H new ATOM 0 HD13 LEU A 56 0.262 -0.772 0.217 1.00 44.05 H new ATOM 0 HD21 LEU A 56 -1.629 -0.908 2.645 1.00 71.12 H new ATOM 0 HD22 LEU A 56 -0.484 0.424 2.358 1.00 71.12 H new ATOM 0 HD23 LEU A 56 -2.215 0.771 2.581 1.00 71.12 H new ATOM 860 N LEU A 57 -3.384 3.743 -0.589 1.00 62.21 N ATOM 861 CA LEU A 57 -3.565 5.187 -0.698 1.00 32.33 C ATOM 862 C LEU A 57 -3.355 5.864 0.653 1.00 20.10 C ATOM 863 O LEU A 57 -3.362 5.209 1.695 1.00 1.12 O ATOM 864 CB LEU A 57 -4.963 5.507 -1.230 1.00 51.23 C ATOM 865 CG LEU A 57 -5.019 6.224 -2.579 1.00 72.34 C ATOM 866 CD1 LEU A 57 -6.365 5.995 -3.250 1.00 63.03 C ATOM 867 CD2 LEU A 57 -4.755 7.713 -2.403 1.00 61.35 C ATOM 0 H LEU A 57 -3.920 3.306 0.161 1.00 62.21 H new ATOM 0 HA LEU A 57 -2.821 5.571 -1.396 1.00 32.33 H new ATOM 0 HB2 LEU A 57 -5.521 4.574 -1.313 1.00 51.23 H new ATOM 0 HB3 LEU A 57 -5.479 6.122 -0.492 1.00 51.23 H new ATOM 0 HG LEU A 57 -4.241 5.811 -3.221 1.00 72.34 H new ATOM 0 HD11 LEU A 57 -6.386 6.513 -4.209 1.00 63.03 H new ATOM 0 HD12 LEU A 57 -6.514 4.927 -3.411 1.00 63.03 H new ATOM 0 HD13 LEU A 57 -7.160 6.381 -2.612 1.00 63.03 H new ATOM 0 HD21 LEU A 57 -4.799 8.207 -3.373 1.00 61.35 H new ATOM 0 HD22 LEU A 57 -5.510 8.141 -1.743 1.00 61.35 H new ATOM 0 HD23 LEU A 57 -3.767 7.858 -1.966 1.00 61.35 H new ATOM 879 N ALA A 58 -3.172 7.180 0.627 1.00 22.21 N ATOM 880 CA ALA A 58 -2.965 7.947 1.849 1.00 22.31 C ATOM 881 C ALA A 58 -4.215 8.737 2.220 1.00 73.41 C ATOM 882 O ALA A 58 -5.092 8.983 1.392 1.00 64.12 O ATOM 883 CB ALA A 58 -1.775 8.882 1.690 1.00 53.32 C ATOM 0 H ALA A 58 -3.163 7.737 -0.227 1.00 22.21 H new ATOM 0 HA ALA A 58 -2.757 7.246 2.657 1.00 22.31 H new ATOM 0 HB1 ALA A 58 -1.632 9.449 2.610 1.00 53.32 H new ATOM 0 HB2 ALA A 58 -0.879 8.298 1.480 1.00 53.32 H new ATOM 0 HB3 ALA A 58 -1.961 9.570 0.865 1.00 53.32 H new ATOM 889 N PRO A 59 -4.302 9.144 3.495 1.00 25.12 N ATOM 890 CA PRO A 59 -5.442 9.912 4.005 1.00 41.32 C ATOM 891 C PRO A 59 -5.481 11.331 3.447 1.00 71.24 C ATOM 892 O PRO A 59 -6.525 11.984 3.462 1.00 4.30 O ATOM 893 CB PRO A 59 -5.204 9.939 5.517 1.00 12.50 C ATOM 894 CG PRO A 59 -3.731 9.772 5.671 1.00 14.22 C ATOM 895 CD PRO A 59 -3.294 8.887 4.537 1.00 21.03 C ATOM 0 HA PRO A 59 -6.394 9.467 3.717 1.00 41.32 H new ATOM 0 HB2 PRO A 59 -5.544 10.878 5.955 1.00 12.50 H new ATOM 0 HB3 PRO A 59 -5.748 9.138 6.018 1.00 12.50 H new ATOM 0 HG2 PRO A 59 -3.223 10.736 5.632 1.00 14.22 H new ATOM 0 HG3 PRO A 59 -3.488 9.322 6.633 1.00 14.22 H new ATOM 0 HD2 PRO A 59 -2.290 9.138 4.195 1.00 21.03 H new ATOM 0 HD3 PRO A 59 -3.278 7.837 4.830 1.00 21.03 H new ATOM 903 N GLN A 60 -4.339 11.800 2.953 1.00 74.02 N ATOM 904 CA GLN A 60 -4.246 13.141 2.390 1.00 4.43 C ATOM 905 C GLN A 60 -4.483 13.118 0.884 1.00 73.54 C ATOM 906 O GLN A 60 -3.546 12.976 0.099 1.00 4.33 O ATOM 907 CB GLN A 60 -2.875 13.749 2.692 1.00 24.03 C ATOM 908 CG GLN A 60 -2.702 14.171 4.142 1.00 65.13 C ATOM 909 CD GLN A 60 -1.350 13.781 4.706 1.00 14.23 C ATOM 910 OE1 GLN A 60 -0.947 12.620 4.637 1.00 1.01 O ATOM 911 NE2 GLN A 60 -0.641 14.753 5.270 1.00 72.14 N ATOM 0 H GLN A 60 -3.467 11.271 2.932 1.00 74.02 H new ATOM 0 HA GLN A 60 -5.019 13.755 2.851 1.00 4.43 H new ATOM 0 HB2 GLN A 60 -2.102 13.024 2.439 1.00 24.03 H new ATOM 0 HB3 GLN A 60 -2.722 14.616 2.049 1.00 24.03 H new ATOM 0 HG2 GLN A 60 -2.826 15.251 4.219 1.00 65.13 H new ATOM 0 HG3 GLN A 60 -3.488 13.716 4.745 1.00 65.13 H new ATOM 0 HE21 GLN A 60 -1.014 15.702 5.305 1.00 72.14 H new ATOM 0 HE22 GLN A 60 0.276 14.550 5.668 1.00 72.14 H new ATOM 920 N SER A 61 -5.745 13.255 0.487 1.00 41.32 N ATOM 921 CA SER A 61 -6.106 13.245 -0.926 1.00 71.10 C ATOM 922 C SER A 61 -7.506 13.816 -1.132 1.00 21.23 C ATOM 923 O SER A 61 -8.478 13.332 -0.551 1.00 50.22 O ATOM 924 CB SER A 61 -6.038 11.821 -1.482 1.00 25.22 C ATOM 925 OG SER A 61 -4.695 11.387 -1.606 1.00 60.33 O ATOM 0 H SER A 61 -6.533 13.374 1.123 1.00 41.32 H new ATOM 0 HA SER A 61 -5.393 13.871 -1.462 1.00 71.10 H new ATOM 0 HB2 SER A 61 -6.583 11.144 -0.825 1.00 25.22 H new ATOM 0 HB3 SER A 61 -6.527 11.783 -2.455 1.00 25.22 H new ATOM 0 HG SER A 61 -4.092 12.098 -1.303 1.00 60.33 H new ATOM 931 N ARG A 62 -7.600 14.848 -1.963 1.00 53.53 N ATOM 932 CA ARG A 62 -8.879 15.488 -2.246 1.00 32.12 C ATOM 933 C ARG A 62 -9.550 14.850 -3.459 1.00 31.43 C ATOM 934 O ARG A 62 -10.603 14.222 -3.341 1.00 4.31 O ATOM 935 CB ARG A 62 -8.683 16.986 -2.488 1.00 0.01 C ATOM 936 CG ARG A 62 -8.613 17.805 -1.210 1.00 12.44 C ATOM 937 CD ARG A 62 -9.942 17.799 -0.470 1.00 42.42 C ATOM 938 NE ARG A 62 -10.176 19.051 0.245 1.00 61.04 N ATOM 939 CZ ARG A 62 -10.571 20.173 -0.347 1.00 32.23 C ATOM 940 NH1 ARG A 62 -10.776 20.199 -1.656 1.00 71.21 N ATOM 941 NH2 ARG A 62 -10.763 21.272 0.372 1.00 23.42 N ATOM 0 H ARG A 62 -6.805 15.259 -2.453 1.00 53.53 H new ATOM 0 HA ARG A 62 -9.525 15.349 -1.379 1.00 32.12 H new ATOM 0 HB2 ARG A 62 -7.765 17.137 -3.057 1.00 0.01 H new ATOM 0 HB3 ARG A 62 -9.503 17.357 -3.103 1.00 0.01 H new ATOM 0 HG2 ARG A 62 -7.833 17.405 -0.562 1.00 12.44 H new ATOM 0 HG3 ARG A 62 -8.333 18.831 -1.449 1.00 12.44 H new ATOM 0 HD2 ARG A 62 -10.752 17.630 -1.180 1.00 42.42 H new ATOM 0 HD3 ARG A 62 -9.960 16.969 0.237 1.00 42.42 H new ATOM 0 HE ARG A 62 -10.028 19.065 1.254 1.00 61.04 H new ATOM 0 HH11 ARG A 62 -10.631 19.356 -2.212 1.00 71.21 H new ATOM 0 HH12 ARG A 62 -11.079 21.062 -2.108 1.00 71.21 H new ATOM 0 HH21 ARG A 62 -10.607 21.256 1.380 1.00 23.42 H new ATOM 0 HH22 ARG A 62 -11.066 22.133 -0.083 1.00 23.42 H new ATOM 955 N PHE A 63 -8.934 15.014 -4.624 1.00 43.40 N ATOM 956 CA PHE A 63 -9.471 14.455 -5.859 1.00 54.01 C ATOM 957 C PHE A 63 -8.813 13.118 -6.183 1.00 64.03 C ATOM 958 O PHE A 63 -9.401 12.271 -6.854 1.00 65.32 O ATOM 959 CB PHE A 63 -9.264 15.432 -7.019 1.00 42.31 C ATOM 960 CG PHE A 63 -7.830 15.839 -7.211 1.00 11.41 C ATOM 961 CD1 PHE A 63 -6.973 15.066 -7.975 1.00 72.45 C ATOM 962 CD2 PHE A 63 -7.341 16.996 -6.625 1.00 53.15 C ATOM 963 CE1 PHE A 63 -5.654 15.438 -8.154 1.00 22.41 C ATOM 964 CE2 PHE A 63 -6.023 17.373 -6.801 1.00 1.41 C ATOM 965 CZ PHE A 63 -5.178 16.593 -7.564 1.00 42.14 C ATOM 0 H PHE A 63 -8.062 15.530 -4.739 1.00 43.40 H new ATOM 0 HA PHE A 63 -10.539 14.289 -5.718 1.00 54.01 H new ATOM 0 HB2 PHE A 63 -9.630 14.975 -7.938 1.00 42.31 H new ATOM 0 HB3 PHE A 63 -9.866 16.324 -6.845 1.00 42.31 H new ATOM 0 HD1 PHE A 63 -7.339 14.161 -8.437 1.00 72.45 H new ATOM 0 HD2 PHE A 63 -7.997 17.609 -6.025 1.00 53.15 H new ATOM 0 HE1 PHE A 63 -4.996 14.827 -8.754 1.00 22.41 H new ATOM 0 HE2 PHE A 63 -5.654 18.278 -6.341 1.00 1.41 H new ATOM 0 HZ PHE A 63 -4.147 16.885 -7.700 1.00 42.14 H new ATOM 975 N ASN A 64 -7.587 12.936 -5.701 1.00 30.45 N ATOM 976 CA ASN A 64 -6.847 11.702 -5.939 1.00 75.13 C ATOM 977 C ASN A 64 -7.681 10.484 -5.552 1.00 1.24 C ATOM 978 O ASN A 64 -7.879 9.572 -6.355 1.00 55.30 O ATOM 979 CB ASN A 64 -5.536 11.708 -5.150 1.00 51.33 C ATOM 980 CG ASN A 64 -4.328 11.935 -6.039 1.00 13.14 C ATOM 981 OD1 ASN A 64 -4.077 11.171 -6.971 1.00 31.42 O ATOM 982 ND2 ASN A 64 -3.573 12.990 -5.753 1.00 62.42 N ATOM 0 H ASN A 64 -7.086 13.627 -5.143 1.00 30.45 H new ATOM 0 HA ASN A 64 -6.622 11.643 -7.004 1.00 75.13 H new ATOM 0 HB2 ASN A 64 -5.576 12.488 -4.390 1.00 51.33 H new ATOM 0 HB3 ASN A 64 -5.425 10.758 -4.627 1.00 51.33 H new ATOM 0 HD21 ASN A 64 -2.747 13.194 -6.316 1.00 62.42 H new ATOM 0 HD22 ASN A 64 -3.819 13.596 -4.971 1.00 62.42 H new ATOM 989 N LYS A 65 -8.166 10.476 -4.314 1.00 73.25 N ATOM 990 CA LYS A 65 -8.980 9.373 -3.820 1.00 32.34 C ATOM 991 C LYS A 65 -10.218 9.176 -4.689 1.00 60.20 C ATOM 992 O LYS A 65 -10.652 8.047 -4.923 1.00 54.32 O ATOM 993 CB LYS A 65 -9.399 9.631 -2.370 1.00 43.22 C ATOM 994 CG LYS A 65 -10.094 10.966 -2.167 1.00 4.40 C ATOM 995 CD LYS A 65 -10.546 11.147 -0.727 1.00 63.33 C ATOM 996 CE LYS A 65 -11.498 12.324 -0.585 1.00 1.34 C ATOM 997 NZ LYS A 65 -12.078 12.406 0.784 1.00 32.40 N ATOM 0 H LYS A 65 -8.009 11.221 -3.636 1.00 73.25 H new ATOM 0 HA LYS A 65 -8.379 8.465 -3.864 1.00 32.34 H new ATOM 0 HB2 LYS A 65 -10.064 8.831 -2.045 1.00 43.22 H new ATOM 0 HB3 LYS A 65 -8.516 9.590 -1.732 1.00 43.22 H new ATOM 0 HG2 LYS A 65 -9.417 11.775 -2.441 1.00 4.40 H new ATOM 0 HG3 LYS A 65 -10.956 11.033 -2.831 1.00 4.40 H new ATOM 0 HD2 LYS A 65 -11.037 10.237 -0.382 1.00 63.33 H new ATOM 0 HD3 LYS A 65 -9.676 11.302 -0.088 1.00 63.33 H new ATOM 0 HE2 LYS A 65 -10.968 13.249 -0.811 1.00 1.34 H new ATOM 0 HE3 LYS A 65 -12.302 12.231 -1.315 1.00 1.34 H new ATOM 0 HZ1 LYS A 65 -12.721 13.221 0.840 1.00 32.40 H new ATOM 0 HZ2 LYS A 65 -12.605 11.534 0.990 1.00 32.40 H new ATOM 0 HZ3 LYS A 65 -11.313 12.520 1.479 1.00 32.40 H new ATOM 1011 N LYS A 66 -10.781 10.279 -5.167 1.00 51.35 N ATOM 1012 CA LYS A 66 -11.966 10.229 -6.015 1.00 55.31 C ATOM 1013 C LYS A 66 -11.690 9.442 -7.292 1.00 44.13 C ATOM 1014 O LYS A 66 -12.334 8.427 -7.558 1.00 65.22 O ATOM 1015 CB LYS A 66 -12.428 11.646 -6.366 1.00 75.31 C ATOM 1016 CG LYS A 66 -13.931 11.840 -6.253 1.00 2.10 C ATOM 1017 CD LYS A 66 -14.274 13.205 -5.678 1.00 62.11 C ATOM 1018 CE LYS A 66 -15.430 13.120 -4.694 1.00 32.34 C ATOM 1019 NZ LYS A 66 -16.746 13.298 -5.367 1.00 40.32 N ATOM 0 H LYS A 66 -10.435 11.221 -4.982 1.00 51.35 H new ATOM 0 HA LYS A 66 -12.756 9.722 -5.461 1.00 55.31 H new ATOM 0 HB2 LYS A 66 -11.928 12.356 -5.708 1.00 75.31 H new ATOM 0 HB3 LYS A 66 -12.115 11.880 -7.384 1.00 75.31 H new ATOM 0 HG2 LYS A 66 -14.388 11.733 -7.237 1.00 2.10 H new ATOM 0 HG3 LYS A 66 -14.353 11.060 -5.619 1.00 2.10 H new ATOM 0 HD2 LYS A 66 -13.399 13.621 -5.178 1.00 62.11 H new ATOM 0 HD3 LYS A 66 -14.533 13.887 -6.487 1.00 62.11 H new ATOM 0 HE2 LYS A 66 -15.408 12.154 -4.190 1.00 32.34 H new ATOM 0 HE3 LYS A 66 -15.309 13.883 -3.925 1.00 32.34 H new ATOM 0 HZ1 LYS A 66 -17.508 13.233 -4.662 1.00 40.32 H new ATOM 0 HZ2 LYS A 66 -16.778 14.230 -5.827 1.00 40.32 H new ATOM 0 HZ3 LYS A 66 -16.873 12.555 -6.083 1.00 40.32 H new ATOM 1033 N ARG A 67 -10.728 9.916 -8.077 1.00 44.33 N ATOM 1034 CA ARG A 67 -10.366 9.256 -9.326 1.00 32.24 C ATOM 1035 C ARG A 67 -9.841 7.848 -9.064 1.00 61.13 C ATOM 1036 O ARG A 67 -10.255 6.888 -9.716 1.00 0.43 O ATOM 1037 CB ARG A 67 -9.312 10.075 -10.073 1.00 22.13 C ATOM 1038 CG ARG A 67 -9.690 11.536 -10.254 1.00 64.21 C ATOM 1039 CD ARG A 67 -8.820 12.210 -11.303 1.00 2.51 C ATOM 1040 NE ARG A 67 -9.198 13.606 -11.512 1.00 61.12 N ATOM 1041 CZ ARG A 67 -8.498 14.452 -12.257 1.00 42.44 C ATOM 1042 NH1 ARG A 67 -7.389 14.049 -12.863 1.00 73.51 N ATOM 1043 NH2 ARG A 67 -8.905 15.707 -12.400 1.00 74.14 N ATOM 0 H ARG A 67 -10.185 10.755 -7.870 1.00 44.33 H new ATOM 0 HA ARG A 67 -11.262 9.182 -9.942 1.00 32.24 H new ATOM 0 HB2 ARG A 67 -8.368 10.017 -9.531 1.00 22.13 H new ATOM 0 HB3 ARG A 67 -9.144 9.628 -11.053 1.00 22.13 H new ATOM 0 HG2 ARG A 67 -10.737 11.608 -10.547 1.00 64.21 H new ATOM 0 HG3 ARG A 67 -9.588 12.060 -9.304 1.00 64.21 H new ATOM 0 HD2 ARG A 67 -7.776 12.159 -10.995 1.00 2.51 H new ATOM 0 HD3 ARG A 67 -8.901 11.667 -12.245 1.00 2.51 H new ATOM 0 HE ARG A 67 -10.046 13.949 -11.061 1.00 61.12 H new ATOM 0 HH11 ARG A 67 -7.071 13.086 -12.757 1.00 73.51 H new ATOM 0 HH12 ARG A 67 -6.854 14.703 -13.435 1.00 73.51 H new ATOM 0 HH21 ARG A 67 -9.757 16.023 -11.937 1.00 74.14 H new ATOM 0 HH22 ARG A 67 -8.366 16.356 -12.973 1.00 74.14 H new ATOM 1057 N LEU A 68 -8.927 7.731 -8.106 1.00 50.51 N ATOM 1058 CA LEU A 68 -8.345 6.440 -7.758 1.00 25.11 C ATOM 1059 C LEU A 68 -9.433 5.403 -7.502 1.00 74.24 C ATOM 1060 O LEU A 68 -9.348 4.270 -7.976 1.00 61.31 O ATOM 1061 CB LEU A 68 -7.453 6.576 -6.522 1.00 54.42 C ATOM 1062 CG LEU A 68 -6.001 6.980 -6.783 1.00 75.02 C ATOM 1063 CD1 LEU A 68 -5.494 7.891 -5.676 1.00 64.33 C ATOM 1064 CD2 LEU A 68 -5.120 5.746 -6.908 1.00 43.22 C ATOM 0 H LEU A 68 -8.574 8.515 -7.557 1.00 50.51 H new ATOM 0 HA LEU A 68 -7.740 6.104 -8.600 1.00 25.11 H new ATOM 0 HB2 LEU A 68 -7.900 7.313 -5.855 1.00 54.42 H new ATOM 0 HB3 LEU A 68 -7.454 5.624 -5.991 1.00 54.42 H new ATOM 0 HG LEU A 68 -5.959 7.529 -7.724 1.00 75.02 H new ATOM 0 HD11 LEU A 68 -4.459 8.168 -5.878 1.00 64.33 H new ATOM 0 HD12 LEU A 68 -6.109 8.790 -5.634 1.00 64.33 H new ATOM 0 HD13 LEU A 68 -5.549 7.369 -4.721 1.00 64.33 H new ATOM 0 HD21 LEU A 68 -4.090 6.051 -7.094 1.00 43.22 H new ATOM 0 HD22 LEU A 68 -5.167 5.170 -5.984 1.00 43.22 H new ATOM 0 HD23 LEU A 68 -5.471 5.131 -7.737 1.00 43.22 H new ATOM 1076 N GLU A 69 -10.457 5.799 -6.751 1.00 64.34 N ATOM 1077 CA GLU A 69 -11.562 4.903 -6.434 1.00 31.05 C ATOM 1078 C GLU A 69 -12.398 4.609 -7.677 1.00 24.44 C ATOM 1079 O GLU A 69 -12.779 3.465 -7.923 1.00 13.20 O ATOM 1080 CB GLU A 69 -12.446 5.514 -5.344 1.00 71.43 C ATOM 1081 CG GLU A 69 -11.805 5.509 -3.967 1.00 1.32 C ATOM 1082 CD GLU A 69 -12.136 4.261 -3.174 1.00 23.34 C ATOM 1083 OE1 GLU A 69 -12.795 3.359 -3.731 1.00 62.10 O ATOM 1084 OE2 GLU A 69 -11.734 4.185 -1.993 1.00 71.12 O ATOM 0 H GLU A 69 -10.543 6.734 -6.352 1.00 64.34 H new ATOM 0 HA GLU A 69 -11.143 3.965 -6.069 1.00 31.05 H new ATOM 0 HB2 GLU A 69 -12.690 6.540 -5.618 1.00 71.43 H new ATOM 0 HB3 GLU A 69 -13.386 4.964 -5.300 1.00 71.43 H new ATOM 0 HG2 GLU A 69 -10.723 5.591 -4.074 1.00 1.32 H new ATOM 0 HG3 GLU A 69 -12.138 6.386 -3.412 1.00 1.32 H new ATOM 1091 N GLU A 70 -12.677 5.649 -8.455 1.00 14.55 N ATOM 1092 CA GLU A 70 -13.469 5.502 -9.670 1.00 44.12 C ATOM 1093 C GLU A 70 -12.730 4.653 -10.701 1.00 42.31 C ATOM 1094 O GLU A 70 -13.338 4.112 -11.626 1.00 25.35 O ATOM 1095 CB GLU A 70 -13.795 6.875 -10.263 1.00 5.01 C ATOM 1096 CG GLU A 70 -14.791 7.673 -9.438 1.00 61.43 C ATOM 1097 CD GLU A 70 -16.229 7.304 -9.744 1.00 20.01 C ATOM 1098 OE1 GLU A 70 -16.707 7.642 -10.847 1.00 72.21 O ATOM 1099 OE2 GLU A 70 -16.877 6.676 -8.880 1.00 3.43 O ATOM 0 H GLU A 70 -12.367 6.602 -8.266 1.00 14.55 H new ATOM 0 HA GLU A 70 -14.399 4.998 -9.408 1.00 44.12 H new ATOM 0 HB2 GLU A 70 -12.873 7.448 -10.358 1.00 5.01 H new ATOM 0 HB3 GLU A 70 -14.193 6.742 -11.269 1.00 5.01 H new ATOM 0 HG2 GLU A 70 -14.595 7.508 -8.379 1.00 61.43 H new ATOM 0 HG3 GLU A 70 -14.644 8.736 -9.627 1.00 61.43 H new ATOM 1106 N ILE A 71 -11.416 4.543 -10.536 1.00 2.24 N ATOM 1107 CA ILE A 71 -10.594 3.761 -11.450 1.00 73.24 C ATOM 1108 C ILE A 71 -10.382 2.346 -10.925 1.00 22.12 C ATOM 1109 O ILE A 71 -10.394 1.379 -11.688 1.00 62.33 O ATOM 1110 CB ILE A 71 -9.223 4.422 -11.681 1.00 43.20 C ATOM 1111 CG1 ILE A 71 -9.400 5.823 -12.273 1.00 22.41 C ATOM 1112 CG2 ILE A 71 -8.366 3.560 -12.596 1.00 22.35 C ATOM 1113 CD1 ILE A 71 -8.292 6.783 -11.897 1.00 35.51 C ATOM 0 H ILE A 71 -10.898 4.986 -9.777 1.00 2.24 H new ATOM 0 HA ILE A 71 -11.131 3.718 -12.398 1.00 73.24 H new ATOM 0 HB ILE A 71 -8.716 4.515 -10.721 1.00 43.20 H new ATOM 0 HG12 ILE A 71 -9.450 5.746 -13.359 1.00 22.41 H new ATOM 0 HG13 ILE A 71 -10.353 6.232 -11.938 1.00 22.41 H new ATOM 0 HG21 ILE A 71 -7.400 4.041 -12.749 1.00 22.35 H new ATOM 0 HG22 ILE A 71 -8.216 2.582 -12.139 1.00 22.35 H new ATOM 0 HG23 ILE A 71 -8.867 3.438 -13.556 1.00 22.35 H new ATOM 0 HD11 ILE A 71 -8.483 7.755 -12.351 1.00 35.51 H new ATOM 0 HD12 ILE A 71 -8.256 6.890 -10.813 1.00 35.51 H new ATOM 0 HD13 ILE A 71 -7.338 6.396 -12.256 1.00 35.51 H new ATOM 1125 N THR A 72 -10.188 2.229 -9.615 1.00 53.20 N ATOM 1126 CA THR A 72 -9.973 0.933 -8.987 1.00 21.43 C ATOM 1127 C THR A 72 -11.232 0.075 -9.051 1.00 15.22 C ATOM 1128 O THR A 72 -11.159 -1.142 -9.226 1.00 62.22 O ATOM 1129 CB THR A 72 -9.545 1.085 -7.514 1.00 73.10 C ATOM 1130 OG1 THR A 72 -10.482 1.913 -6.815 1.00 33.11 O ATOM 1131 CG2 THR A 72 -8.154 1.691 -7.416 1.00 21.15 C ATOM 0 H THR A 72 -10.176 3.018 -8.968 1.00 53.20 H new ATOM 0 HA THR A 72 -9.173 0.443 -9.542 1.00 21.43 H new ATOM 0 HB THR A 72 -9.526 0.095 -7.059 1.00 73.10 H new ATOM 0 HG1 THR A 72 -11.113 2.305 -7.454 1.00 33.11 H new ATOM 0 HG21 THR A 72 -7.873 1.789 -6.367 1.00 21.15 H new ATOM 0 HG22 THR A 72 -7.439 1.045 -7.925 1.00 21.15 H new ATOM 0 HG23 THR A 72 -8.152 2.675 -7.886 1.00 21.15 H new ATOM 1139 N LYS A 73 -12.387 0.716 -8.910 1.00 61.12 N ATOM 1140 CA LYS A 73 -13.663 0.013 -8.954 1.00 72.21 C ATOM 1141 C LYS A 73 -13.759 -0.862 -10.200 1.00 35.41 C ATOM 1142 O LYS A 73 -13.890 -2.084 -10.121 1.00 55.25 O ATOM 1143 CB LYS A 73 -14.821 1.013 -8.930 1.00 15.12 C ATOM 1144 CG LYS A 73 -15.597 1.014 -7.624 1.00 55.10 C ATOM 1145 CD LYS A 73 -15.799 2.424 -7.096 1.00 52.32 C ATOM 1146 CE LYS A 73 -16.770 2.447 -5.924 1.00 64.25 C ATOM 1147 NZ LYS A 73 -17.827 3.480 -6.101 1.00 33.12 N ATOM 0 H LYS A 73 -12.465 1.722 -8.764 1.00 61.12 H new ATOM 0 HA LYS A 73 -13.727 -0.628 -8.075 1.00 72.21 H new ATOM 0 HB2 LYS A 73 -14.429 2.014 -9.111 1.00 15.12 H new ATOM 0 HB3 LYS A 73 -15.504 0.785 -9.748 1.00 15.12 H new ATOM 0 HG2 LYS A 73 -16.566 0.539 -7.775 1.00 55.10 H new ATOM 0 HG3 LYS A 73 -15.063 0.420 -6.882 1.00 55.10 H new ATOM 0 HD2 LYS A 73 -14.840 2.837 -6.784 1.00 52.32 H new ATOM 0 HD3 LYS A 73 -16.176 3.062 -7.895 1.00 52.32 H new ATOM 0 HE2 LYS A 73 -17.234 1.467 -5.818 1.00 64.25 H new ATOM 0 HE3 LYS A 73 -16.222 2.642 -5.002 1.00 64.25 H new ATOM 0 HZ1 LYS A 73 -18.468 3.464 -5.282 1.00 33.12 H new ATOM 0 HZ2 LYS A 73 -17.386 4.419 -6.177 1.00 33.12 H new ATOM 0 HZ3 LYS A 73 -18.367 3.280 -6.967 1.00 33.12 H new ATOM 1161 N PRO A 74 -13.692 -0.225 -11.378 1.00 41.43 N ATOM 1162 CA PRO A 74 -13.767 -0.926 -12.664 1.00 31.34 C ATOM 1163 C PRO A 74 -12.527 -1.770 -12.937 1.00 43.43 C ATOM 1164 O PRO A 74 -12.615 -2.855 -13.511 1.00 62.43 O ATOM 1165 CB PRO A 74 -13.876 0.211 -13.683 1.00 32.35 C ATOM 1166 CG PRO A 74 -13.242 1.381 -13.014 1.00 62.33 C ATOM 1167 CD PRO A 74 -13.536 1.229 -11.547 1.00 14.40 C ATOM 0 HA PRO A 74 -14.601 -1.627 -12.698 1.00 31.34 H new ATOM 0 HB2 PRO A 74 -13.364 -0.039 -14.612 1.00 32.35 H new ATOM 0 HB3 PRO A 74 -14.916 0.416 -13.938 1.00 32.35 H new ATOM 0 HG2 PRO A 74 -12.168 1.400 -13.197 1.00 62.33 H new ATOM 0 HG3 PRO A 74 -13.647 2.317 -13.398 1.00 62.33 H new ATOM 0 HD2 PRO A 74 -12.725 1.620 -10.932 1.00 14.40 H new ATOM 0 HD3 PRO A 74 -14.440 1.766 -11.261 1.00 14.40 H new ATOM 1175 N LYS A 75 -11.370 -1.264 -12.522 1.00 0.31 N ATOM 1176 CA LYS A 75 -10.111 -1.971 -12.720 1.00 22.22 C ATOM 1177 C LYS A 75 -10.090 -3.277 -11.932 1.00 24.13 C ATOM 1178 O LYS A 75 -9.378 -4.216 -12.287 1.00 12.43 O ATOM 1179 CB LYS A 75 -8.934 -1.088 -12.296 1.00 74.33 C ATOM 1180 CG LYS A 75 -8.526 -0.074 -13.350 1.00 4.53 C ATOM 1181 CD LYS A 75 -7.257 -0.498 -14.071 1.00 53.34 C ATOM 1182 CE LYS A 75 -6.017 0.077 -13.403 1.00 73.34 C ATOM 1183 NZ LYS A 75 -4.873 -0.876 -13.444 1.00 34.14 N ATOM 0 H LYS A 75 -11.279 -0.366 -12.046 1.00 0.31 H new ATOM 0 HA LYS A 75 -10.018 -2.206 -13.780 1.00 22.22 H new ATOM 0 HB2 LYS A 75 -9.198 -0.561 -11.379 1.00 74.33 H new ATOM 0 HB3 LYS A 75 -8.079 -1.723 -12.064 1.00 74.33 H new ATOM 0 HG2 LYS A 75 -9.333 0.046 -14.073 1.00 4.53 H new ATOM 0 HG3 LYS A 75 -8.371 0.898 -12.881 1.00 4.53 H new ATOM 0 HD2 LYS A 75 -7.192 -1.586 -14.086 1.00 53.34 H new ATOM 0 HD3 LYS A 75 -7.299 -0.167 -15.109 1.00 53.34 H new ATOM 0 HE2 LYS A 75 -5.734 1.005 -13.899 1.00 73.34 H new ATOM 0 HE3 LYS A 75 -6.245 0.326 -12.367 1.00 73.34 H new ATOM 0 HZ1 LYS A 75 -4.047 -0.447 -12.979 1.00 34.14 H new ATOM 0 HZ2 LYS A 75 -5.133 -1.752 -12.948 1.00 34.14 H new ATOM 0 HZ3 LYS A 75 -4.638 -1.094 -14.433 1.00 34.14 H new ATOM 1197 N GLY A 76 -10.876 -3.329 -10.861 1.00 20.23 N ATOM 1198 CA GLY A 76 -10.933 -4.524 -10.040 1.00 63.51 C ATOM 1199 C GLY A 76 -9.573 -4.927 -9.507 1.00 31.12 C ATOM 1200 O GLY A 76 -9.060 -5.997 -9.837 1.00 35.13 O ATOM 0 H GLY A 76 -11.474 -2.565 -10.547 1.00 20.23 H new ATOM 0 HA2 GLY A 76 -11.612 -4.355 -9.204 1.00 63.51 H new ATOM 0 HA3 GLY A 76 -11.348 -5.344 -10.626 1.00 63.51 H new ATOM 1204 N ILE A 77 -8.985 -4.068 -8.680 1.00 74.22 N ATOM 1205 CA ILE A 77 -7.676 -4.340 -8.101 1.00 3.11 C ATOM 1206 C ILE A 77 -7.689 -4.130 -6.590 1.00 42.23 C ATOM 1207 O ILE A 77 -8.491 -3.367 -6.052 1.00 13.25 O ATOM 1208 CB ILE A 77 -6.589 -3.444 -8.723 1.00 25.22 C ATOM 1209 CG1 ILE A 77 -7.011 -1.975 -8.663 1.00 41.02 C ATOM 1210 CG2 ILE A 77 -6.314 -3.865 -10.159 1.00 4.44 C ATOM 1211 CD1 ILE A 77 -6.043 -1.099 -7.899 1.00 12.34 C ATOM 0 H ILE A 77 -9.395 -3.178 -8.396 1.00 74.22 H new ATOM 0 HA ILE A 77 -7.445 -5.383 -8.319 1.00 3.11 H new ATOM 0 HB ILE A 77 -5.670 -3.561 -8.149 1.00 25.22 H new ATOM 0 HG12 ILE A 77 -7.111 -1.592 -9.679 1.00 41.02 H new ATOM 0 HG13 ILE A 77 -7.995 -1.907 -8.198 1.00 41.02 H new ATOM 0 HG21 ILE A 77 -5.544 -3.223 -10.585 1.00 4.44 H new ATOM 0 HG22 ILE A 77 -5.973 -4.900 -10.176 1.00 4.44 H new ATOM 0 HG23 ILE A 77 -7.228 -3.774 -10.746 1.00 4.44 H new ATOM 0 HD11 ILE A 77 -6.406 -0.071 -7.897 1.00 12.34 H new ATOM 0 HD12 ILE A 77 -5.961 -1.456 -6.873 1.00 12.34 H new ATOM 0 HD13 ILE A 77 -5.064 -1.137 -8.376 1.00 12.34 H new ATOM 1223 N PRO A 78 -6.779 -4.820 -5.889 1.00 62.31 N ATOM 1224 CA PRO A 78 -6.663 -4.725 -4.430 1.00 12.10 C ATOM 1225 C PRO A 78 -6.127 -3.371 -3.979 1.00 41.31 C ATOM 1226 O PRO A 78 -4.924 -3.116 -4.044 1.00 61.12 O ATOM 1227 CB PRO A 78 -5.671 -5.836 -4.079 1.00 54.14 C ATOM 1228 CG PRO A 78 -4.863 -6.027 -5.315 1.00 44.41 C ATOM 1229 CD PRO A 78 -5.791 -5.749 -6.465 1.00 3.52 C ATOM 0 HA PRO A 78 -7.630 -4.827 -3.937 1.00 12.10 H new ATOM 0 HB2 PRO A 78 -5.042 -5.553 -3.235 1.00 54.14 H new ATOM 0 HB3 PRO A 78 -6.188 -6.754 -3.798 1.00 54.14 H new ATOM 0 HG2 PRO A 78 -4.009 -5.350 -5.331 1.00 44.41 H new ATOM 0 HG3 PRO A 78 -4.467 -7.041 -5.369 1.00 44.41 H new ATOM 0 HD2 PRO A 78 -5.264 -5.303 -7.308 1.00 3.52 H new ATOM 0 HD3 PRO A 78 -6.262 -6.661 -6.831 1.00 3.52 H new ATOM 1237 N ILE A 79 -7.027 -2.506 -3.521 1.00 63.14 N ATOM 1238 CA ILE A 79 -6.642 -1.179 -3.058 1.00 42.45 C ATOM 1239 C ILE A 79 -7.018 -0.977 -1.594 1.00 64.41 C ATOM 1240 O ILE A 79 -8.130 -1.299 -1.179 1.00 4.20 O ATOM 1241 CB ILE A 79 -7.305 -0.074 -3.902 1.00 54.22 C ATOM 1242 CG1 ILE A 79 -6.750 1.298 -3.514 1.00 65.42 C ATOM 1243 CG2 ILE A 79 -8.816 -0.108 -3.727 1.00 4.20 C ATOM 1244 CD1 ILE A 79 -5.410 1.608 -4.145 1.00 24.13 C ATOM 0 H ILE A 79 -8.026 -2.701 -3.461 1.00 63.14 H new ATOM 0 HA ILE A 79 -5.560 -1.109 -3.167 1.00 42.45 H new ATOM 0 HB ILE A 79 -7.076 -0.254 -4.952 1.00 54.22 H new ATOM 0 HG12 ILE A 79 -7.466 2.066 -3.805 1.00 65.42 H new ATOM 0 HG13 ILE A 79 -6.652 1.348 -2.430 1.00 65.42 H new ATOM 0 HG21 ILE A 79 -9.270 0.679 -4.330 1.00 4.20 H new ATOM 0 HG22 ILE A 79 -9.198 -1.077 -4.048 1.00 4.20 H new ATOM 0 HG23 ILE A 79 -9.064 0.050 -2.677 1.00 4.20 H new ATOM 0 HD11 ILE A 79 -5.077 2.596 -3.826 1.00 24.13 H new ATOM 0 HD12 ILE A 79 -4.680 0.861 -3.834 1.00 24.13 H new ATOM 0 HD13 ILE A 79 -5.506 1.591 -5.231 1.00 24.13 H new ATOM 1256 N GLU A 80 -6.080 -0.442 -0.817 1.00 73.23 N ATOM 1257 CA GLU A 80 -6.313 -0.198 0.601 1.00 15.10 C ATOM 1258 C GLU A 80 -5.973 1.244 0.968 1.00 70.21 C ATOM 1259 O GLU A 80 -5.302 1.946 0.211 1.00 32.30 O ATOM 1260 CB GLU A 80 -5.483 -1.161 1.451 1.00 31.20 C ATOM 1261 CG GLU A 80 -6.265 -1.799 2.588 1.00 41.24 C ATOM 1262 CD GLU A 80 -7.527 -2.491 2.112 1.00 41.21 C ATOM 1263 OE1 GLU A 80 -7.626 -2.775 0.900 1.00 52.13 O ATOM 1264 OE2 GLU A 80 -8.415 -2.749 2.951 1.00 52.33 O ATOM 0 H GLU A 80 -5.154 -0.170 -1.146 1.00 73.23 H new ATOM 0 HA GLU A 80 -7.371 -0.367 0.803 1.00 15.10 H new ATOM 0 HB2 GLU A 80 -5.084 -1.947 0.810 1.00 31.20 H new ATOM 0 HB3 GLU A 80 -4.630 -0.624 1.865 1.00 31.20 H new ATOM 0 HG2 GLU A 80 -5.630 -2.522 3.100 1.00 41.24 H new ATOM 0 HG3 GLU A 80 -6.528 -1.033 3.317 1.00 41.24 H new ATOM 1271 N ILE A 81 -6.440 1.678 2.134 1.00 70.30 N ATOM 1272 CA ILE A 81 -6.185 3.035 2.601 1.00 62.42 C ATOM 1273 C ILE A 81 -5.753 3.040 4.063 1.00 1.12 C ATOM 1274 O ILE A 81 -6.381 2.404 4.910 1.00 73.43 O ATOM 1275 CB ILE A 81 -7.429 3.928 2.441 1.00 5.52 C ATOM 1276 CG1 ILE A 81 -7.866 3.974 0.976 1.00 3.53 C ATOM 1277 CG2 ILE A 81 -7.143 5.330 2.959 1.00 13.22 C ATOM 1278 CD1 ILE A 81 -8.973 2.998 0.645 1.00 12.23 C ATOM 0 H ILE A 81 -6.997 1.110 2.772 1.00 70.30 H new ATOM 0 HA ILE A 81 -5.380 3.435 1.985 1.00 62.42 H new ATOM 0 HB ILE A 81 -8.242 3.503 3.029 1.00 5.52 H new ATOM 0 HG12 ILE A 81 -8.199 4.984 0.736 1.00 3.53 H new ATOM 0 HG13 ILE A 81 -7.005 3.763 0.342 1.00 3.53 H new ATOM 0 HG21 ILE A 81 -8.031 5.950 2.840 1.00 13.22 H new ATOM 0 HG22 ILE A 81 -6.874 5.280 4.014 1.00 13.22 H new ATOM 0 HG23 ILE A 81 -6.318 5.765 2.395 1.00 13.22 H new ATOM 0 HD11 ILE A 81 -9.232 3.086 -0.410 1.00 12.23 H new ATOM 0 HD12 ILE A 81 -8.637 1.982 0.853 1.00 12.23 H new ATOM 0 HD13 ILE A 81 -9.849 3.222 1.253 1.00 12.23 H new ATOM 1290 N ILE A 82 -4.678 3.764 4.355 1.00 42.01 N ATOM 1291 CA ILE A 82 -4.163 3.855 5.716 1.00 61.13 C ATOM 1292 C ILE A 82 -5.007 4.805 6.559 1.00 22.23 C ATOM 1293 O ILE A 82 -5.467 5.838 6.076 1.00 2.02 O ATOM 1294 CB ILE A 82 -2.699 4.333 5.734 1.00 71.21 C ATOM 1295 CG1 ILE A 82 -1.828 3.411 4.878 1.00 14.41 C ATOM 1296 CG2 ILE A 82 -2.178 4.388 7.162 1.00 71.42 C ATOM 1297 CD1 ILE A 82 -0.374 3.825 4.831 1.00 32.42 C ATOM 0 H ILE A 82 -4.146 4.297 3.667 1.00 42.01 H new ATOM 0 HA ILE A 82 -4.214 2.852 6.141 1.00 61.13 H new ATOM 0 HB ILE A 82 -2.655 5.337 5.313 1.00 71.21 H new ATOM 0 HG12 ILE A 82 -1.896 2.395 5.268 1.00 14.41 H new ATOM 0 HG13 ILE A 82 -2.224 3.390 3.863 1.00 14.41 H new ATOM 0 HG21 ILE A 82 -1.142 4.727 7.159 1.00 71.42 H new ATOM 0 HG22 ILE A 82 -2.785 5.081 7.744 1.00 71.42 H new ATOM 0 HG23 ILE A 82 -2.233 3.395 7.608 1.00 71.42 H new ATOM 0 HD11 ILE A 82 0.183 3.127 4.207 1.00 32.42 H new ATOM 0 HD12 ILE A 82 -0.295 4.828 4.413 1.00 32.42 H new ATOM 0 HD13 ILE A 82 0.039 3.819 5.840 1.00 32.42 H new ATOM 1309 N ASN A 83 -5.204 4.447 7.825 1.00 72.24 N ATOM 1310 CA ASN A 83 -5.991 5.268 8.737 1.00 34.04 C ATOM 1311 C ASN A 83 -5.137 6.376 9.346 1.00 12.31 C ATOM 1312 O ASN A 83 -3.960 6.174 9.647 1.00 12.23 O ATOM 1313 CB ASN A 83 -6.590 4.402 9.847 1.00 25.43 C ATOM 1314 CG ASN A 83 -8.106 4.378 9.808 1.00 1.53 C ATOM 1315 OD1 ASN A 83 -8.706 3.679 8.992 1.00 23.00 O ATOM 1316 ND2 ASN A 83 -8.732 5.145 10.693 1.00 12.03 N ATOM 0 H ASN A 83 -4.829 3.594 8.241 1.00 72.24 H new ATOM 0 HA ASN A 83 -6.799 5.728 8.168 1.00 34.04 H new ATOM 0 HB2 ASN A 83 -6.211 3.384 9.754 1.00 25.43 H new ATOM 0 HB3 ASN A 83 -6.260 4.778 10.815 1.00 25.43 H new ATOM 0 HD21 ASN A 83 -9.751 5.171 10.715 1.00 12.03 H new ATOM 0 HD22 ASN A 83 -8.193 5.708 11.351 1.00 12.03 H new ATOM 1323 N THR A 84 -5.739 7.548 9.524 1.00 2.32 N ATOM 1324 CA THR A 84 -5.035 8.689 10.096 1.00 31.52 C ATOM 1325 C THR A 84 -4.349 8.313 11.405 1.00 71.13 C ATOM 1326 O THR A 84 -3.313 8.876 11.758 1.00 74.12 O ATOM 1327 CB THR A 84 -5.991 9.869 10.351 1.00 31.14 C ATOM 1328 OG1 THR A 84 -7.318 9.382 10.587 1.00 41.33 O ATOM 1329 CG2 THR A 84 -5.999 10.825 9.169 1.00 55.42 C ATOM 0 H THR A 84 -6.712 7.732 9.280 1.00 2.32 H new ATOM 0 HA THR A 84 -4.282 8.992 9.369 1.00 31.52 H new ATOM 0 HB THR A 84 -5.640 10.408 11.231 1.00 31.14 H new ATOM 0 HG1 THR A 84 -7.920 10.138 10.750 1.00 41.33 H new ATOM 0 HG21 THR A 84 -6.682 11.650 9.373 1.00 55.42 H new ATOM 0 HG22 THR A 84 -4.994 11.216 9.011 1.00 55.42 H new ATOM 0 HG23 THR A 84 -6.327 10.295 8.275 1.00 55.42 H new ATOM 1337 N ILE A 85 -4.933 7.358 12.120 1.00 74.42 N ATOM 1338 CA ILE A 85 -4.378 6.905 13.389 1.00 41.14 C ATOM 1339 C ILE A 85 -3.087 6.121 13.175 1.00 61.21 C ATOM 1340 O ILE A 85 -2.019 6.526 13.634 1.00 13.33 O ATOM 1341 CB ILE A 85 -5.378 6.024 14.160 1.00 31.44 C ATOM 1342 CG1 ILE A 85 -6.728 6.734 14.280 1.00 35.54 C ATOM 1343 CG2 ILE A 85 -4.829 5.680 15.537 1.00 74.11 C ATOM 1344 CD1 ILE A 85 -6.646 8.075 14.974 1.00 20.03 C ATOM 0 H ILE A 85 -5.791 6.882 11.842 1.00 74.42 H new ATOM 0 HA ILE A 85 -4.166 7.798 13.977 1.00 41.14 H new ATOM 0 HB ILE A 85 -5.525 5.096 13.607 1.00 31.44 H new ATOM 0 HG12 ILE A 85 -7.145 6.875 13.283 1.00 35.54 H new ATOM 0 HG13 ILE A 85 -7.419 6.093 14.827 1.00 35.54 H new ATOM 0 HG21 ILE A 85 -5.547 5.057 16.070 1.00 74.11 H new ATOM 0 HG22 ILE A 85 -3.889 5.139 15.429 1.00 74.11 H new ATOM 0 HG23 ILE A 85 -4.657 6.598 16.100 1.00 74.11 H new ATOM 0 HD11 ILE A 85 -7.640 8.521 15.023 1.00 20.03 H new ATOM 0 HD12 ILE A 85 -6.259 7.939 15.984 1.00 20.03 H new ATOM 0 HD13 ILE A 85 -5.980 8.733 14.416 1.00 20.03 H new ATOM 1356 N ASP A 86 -3.193 4.998 12.473 1.00 0.25 N ATOM 1357 CA ASP A 86 -2.033 4.158 12.195 1.00 41.00 C ATOM 1358 C ASP A 86 -0.930 4.963 11.514 1.00 32.13 C ATOM 1359 O ASP A 86 0.256 4.698 11.710 1.00 34.44 O ATOM 1360 CB ASP A 86 -2.435 2.973 11.316 1.00 44.34 C ATOM 1361 CG ASP A 86 -3.396 2.033 12.015 1.00 34.13 C ATOM 1362 OD1 ASP A 86 -3.461 2.070 13.261 1.00 33.52 O ATOM 1363 OD2 ASP A 86 -4.085 1.260 11.316 1.00 32.11 O ATOM 0 H ASP A 86 -4.070 4.648 12.086 1.00 0.25 H new ATOM 0 HA ASP A 86 -1.650 3.783 13.144 1.00 41.00 H new ATOM 0 HB2 ASP A 86 -2.896 3.344 10.400 1.00 44.34 H new ATOM 0 HB3 ASP A 86 -1.541 2.422 11.023 1.00 44.34 H new ATOM 1368 N TYR A 87 -1.329 5.943 10.713 1.00 54.53 N ATOM 1369 CA TYR A 87 -0.376 6.784 10.000 1.00 50.30 C ATOM 1370 C TYR A 87 0.354 7.716 10.961 1.00 3.54 C ATOM 1371 O TYR A 87 1.583 7.788 10.963 1.00 15.22 O ATOM 1372 CB TYR A 87 -1.090 7.603 8.923 1.00 61.31 C ATOM 1373 CG TYR A 87 -0.429 7.525 7.566 1.00 70.43 C ATOM 1374 CD1 TYR A 87 0.953 7.602 7.437 1.00 34.33 C ATOM 1375 CD2 TYR A 87 -1.186 7.374 6.410 1.00 31.33 C ATOM 1376 CE1 TYR A 87 1.560 7.532 6.199 1.00 1.20 C ATOM 1377 CE2 TYR A 87 -0.587 7.301 5.167 1.00 32.21 C ATOM 1378 CZ TYR A 87 0.786 7.381 5.067 1.00 1.21 C ATOM 1379 OH TYR A 87 1.388 7.310 3.832 1.00 14.31 O ATOM 0 H TYR A 87 -2.307 6.175 10.541 1.00 54.53 H new ATOM 0 HA TYR A 87 0.358 6.133 9.525 1.00 50.30 H new ATOM 0 HB2 TYR A 87 -2.119 7.255 8.837 1.00 61.31 H new ATOM 0 HB3 TYR A 87 -1.131 8.646 9.239 1.00 61.31 H new ATOM 0 HD1 TYR A 87 1.563 7.719 8.321 1.00 34.33 H new ATOM 0 HD2 TYR A 87 -2.262 7.313 6.485 1.00 31.33 H new ATOM 0 HE1 TYR A 87 2.635 7.595 6.117 1.00 1.20 H new ATOM 0 HE2 TYR A 87 -1.190 7.182 4.279 1.00 32.21 H new ATOM 0 HH TYR A 87 1.296 8.171 3.373 1.00 14.31 H new ATOM 1389 N GLY A 88 -0.412 8.430 11.781 1.00 1.14 N ATOM 1390 CA GLY A 88 0.178 9.349 12.738 1.00 73.43 C ATOM 1391 C GLY A 88 1.114 8.653 13.707 1.00 40.55 C ATOM 1392 O GLY A 88 2.225 9.125 13.956 1.00 30.10 O ATOM 0 H GLY A 88 -1.431 8.388 11.800 1.00 1.14 H new ATOM 0 HA2 GLY A 88 0.725 10.125 12.203 1.00 73.43 H new ATOM 0 HA3 GLY A 88 -0.615 9.846 13.297 1.00 73.43 H new ATOM 1396 N THR A 89 0.667 7.529 14.257 1.00 11.34 N ATOM 1397 CA THR A 89 1.471 6.770 15.206 1.00 1.12 C ATOM 1398 C THR A 89 2.536 5.948 14.490 1.00 24.33 C ATOM 1399 O THR A 89 3.522 5.531 15.096 1.00 63.24 O ATOM 1400 CB THR A 89 0.597 5.828 16.056 1.00 54.15 C ATOM 1401 OG1 THR A 89 1.419 5.076 16.955 1.00 74.20 O ATOM 1402 CG2 THR A 89 -0.195 4.879 15.170 1.00 53.33 C ATOM 0 H THR A 89 -0.248 7.124 14.061 1.00 11.34 H new ATOM 0 HA THR A 89 1.954 7.495 15.861 1.00 1.12 H new ATOM 0 HB THR A 89 -0.104 6.436 16.628 1.00 54.15 H new ATOM 0 HG1 THR A 89 0.856 4.481 17.493 1.00 74.20 H new ATOM 0 HG21 THR A 89 -0.805 4.224 15.792 1.00 53.33 H new ATOM 0 HG22 THR A 89 -0.841 5.454 14.507 1.00 53.33 H new ATOM 0 HG23 THR A 89 0.492 4.278 14.575 1.00 53.33 H new ATOM 1410 N MET A 90 2.331 5.720 13.197 1.00 65.02 N ATOM 1411 CA MET A 90 3.276 4.949 12.398 1.00 22.11 C ATOM 1412 C MET A 90 3.367 3.512 12.901 1.00 24.33 C ATOM 1413 O MET A 90 4.260 3.171 13.677 1.00 52.14 O ATOM 1414 CB MET A 90 4.659 5.603 12.433 1.00 63.10 C ATOM 1415 CG MET A 90 4.625 7.108 12.233 1.00 13.42 C ATOM 1416 SD MET A 90 5.109 8.018 13.713 1.00 61.20 S ATOM 1417 CE MET A 90 6.767 7.390 13.968 1.00 70.44 C ATOM 0 H MET A 90 1.519 6.058 12.680 1.00 65.02 H new ATOM 0 HA MET A 90 2.916 4.933 11.369 1.00 22.11 H new ATOM 0 HB2 MET A 90 5.132 5.383 13.390 1.00 63.10 H new ATOM 0 HB3 MET A 90 5.283 5.156 11.659 1.00 63.10 H new ATOM 0 HG2 MET A 90 5.290 7.376 11.413 1.00 13.42 H new ATOM 0 HG3 MET A 90 3.619 7.409 11.939 1.00 13.42 H new ATOM 0 HE1 MET A 90 6.896 7.118 15.016 1.00 70.44 H new ATOM 0 HE2 MET A 90 6.923 6.511 13.343 1.00 70.44 H new ATOM 0 HE3 MET A 90 7.492 8.159 13.701 1.00 70.44 H new ATOM 1427 N ASN A 91 2.438 2.672 12.454 1.00 3.34 N ATOM 1428 CA ASN A 91 2.414 1.272 12.860 1.00 32.10 C ATOM 1429 C ASN A 91 2.767 0.360 11.690 1.00 62.32 C ATOM 1430 O ASN A 91 1.896 -0.052 10.925 1.00 41.30 O ATOM 1431 CB ASN A 91 1.036 0.903 13.412 1.00 73.13 C ATOM 1432 CG ASN A 91 1.113 -0.129 14.520 1.00 53.41 C ATOM 1433 OD1 ASN A 91 1.765 -1.251 14.239 1.00 61.22 O flip ATOM 1434 ND2 ASN A 91 0.593 0.082 15.616 1.00 1.31 N flip ATOM 0 H ASN A 91 1.692 2.937 11.811 1.00 3.34 H new ATOM 0 HA ASN A 91 3.160 1.134 13.643 1.00 32.10 H new ATOM 0 HB2 ASN A 91 0.547 1.801 13.789 1.00 73.13 H new ATOM 0 HB3 ASN A 91 0.415 0.518 12.603 1.00 73.13 H new ATOM 0 HD21 ASN A 91 0.102 0.959 15.787 1.00 1.31 H new ATOM 0 HD22 ASN A 91 0.654 -0.621 16.353 1.00 1.31 H new ATOM 1441 N GLY A 92 4.053 0.048 11.556 1.00 40.34 N ATOM 1442 CA GLY A 92 4.498 -0.813 10.477 1.00 45.15 C ATOM 1443 C GLY A 92 3.719 -2.111 10.410 1.00 21.25 C ATOM 1444 O GLY A 92 3.273 -2.521 9.340 1.00 70.11 O ATOM 0 H GLY A 92 4.794 0.376 12.176 1.00 40.34 H new ATOM 0 HA2 GLY A 92 4.398 -0.284 9.529 1.00 45.15 H new ATOM 0 HA3 GLY A 92 5.557 -1.035 10.607 1.00 45.15 H new ATOM 1448 N GLU A 93 3.555 -2.761 11.559 1.00 2.44 N ATOM 1449 CA GLU A 93 2.826 -4.021 11.627 1.00 70.24 C ATOM 1450 C GLU A 93 1.449 -3.888 10.983 1.00 71.11 C ATOM 1451 O GLU A 93 1.061 -4.702 10.145 1.00 31.53 O ATOM 1452 CB GLU A 93 2.680 -4.475 13.080 1.00 42.22 C ATOM 1453 CG GLU A 93 2.061 -5.855 13.228 1.00 4.40 C ATOM 1454 CD GLU A 93 1.879 -6.260 14.677 1.00 33.33 C ATOM 1455 OE1 GLU A 93 2.327 -5.504 15.565 1.00 30.42 O ATOM 1456 OE2 GLU A 93 1.290 -7.333 14.924 1.00 15.14 O ATOM 0 H GLU A 93 3.918 -2.435 12.455 1.00 2.44 H new ATOM 0 HA GLU A 93 3.395 -4.770 11.076 1.00 70.24 H new ATOM 0 HB2 GLU A 93 3.662 -4.474 13.552 1.00 42.22 H new ATOM 0 HB3 GLU A 93 2.067 -3.752 13.618 1.00 42.22 H new ATOM 0 HG2 GLU A 93 1.094 -5.871 12.726 1.00 4.40 H new ATOM 0 HG3 GLU A 93 2.693 -6.588 12.726 1.00 4.40 H new ATOM 1463 N LYS A 94 0.714 -2.855 11.380 1.00 40.10 N ATOM 1464 CA LYS A 94 -0.620 -2.613 10.844 1.00 42.40 C ATOM 1465 C LYS A 94 -0.563 -2.355 9.341 1.00 10.20 C ATOM 1466 O LYS A 94 -1.427 -2.808 8.590 1.00 31.25 O ATOM 1467 CB LYS A 94 -1.268 -1.421 11.552 1.00 21.42 C ATOM 1468 CG LYS A 94 -1.336 -1.575 13.062 1.00 61.33 C ATOM 1469 CD LYS A 94 -2.703 -2.063 13.512 1.00 1.30 C ATOM 1470 CE LYS A 94 -2.691 -2.482 14.974 1.00 40.40 C ATOM 1471 NZ LYS A 94 -4.017 -2.998 15.413 1.00 21.15 N ATOM 0 H LYS A 94 1.020 -2.171 12.072 1.00 40.10 H new ATOM 0 HA LYS A 94 -1.223 -3.504 11.020 1.00 42.40 H new ATOM 0 HB2 LYS A 94 -0.707 -0.518 11.312 1.00 21.42 H new ATOM 0 HB3 LYS A 94 -2.277 -1.283 11.163 1.00 21.42 H new ATOM 0 HG2 LYS A 94 -0.571 -2.278 13.392 1.00 61.33 H new ATOM 0 HG3 LYS A 94 -1.116 -0.619 13.536 1.00 61.33 H new ATOM 0 HD2 LYS A 94 -3.439 -1.273 13.365 1.00 1.30 H new ATOM 0 HD3 LYS A 94 -3.012 -2.906 12.893 1.00 1.30 H new ATOM 0 HE2 LYS A 94 -1.934 -3.251 15.125 1.00 40.40 H new ATOM 0 HE3 LYS A 94 -2.409 -1.631 15.594 1.00 40.40 H new ATOM 0 HZ1 LYS A 94 -3.968 -3.273 16.415 1.00 21.15 H new ATOM 0 HZ2 LYS A 94 -4.736 -2.256 15.292 1.00 21.15 H new ATOM 0 HZ3 LYS A 94 -4.275 -3.826 14.839 1.00 21.15 H new ATOM 1485 N VAL A 95 0.461 -1.625 8.909 1.00 71.42 N ATOM 1486 CA VAL A 95 0.631 -1.309 7.496 1.00 51.01 C ATOM 1487 C VAL A 95 0.796 -2.577 6.665 1.00 25.42 C ATOM 1488 O VAL A 95 -0.071 -2.924 5.863 1.00 43.03 O ATOM 1489 CB VAL A 95 1.851 -0.397 7.268 1.00 72.22 C ATOM 1490 CG1 VAL A 95 1.966 -0.015 5.801 1.00 41.25 C ATOM 1491 CG2 VAL A 95 1.760 0.843 8.145 1.00 62.11 C ATOM 0 H VAL A 95 1.185 -1.242 9.517 1.00 71.42 H new ATOM 0 HA VAL A 95 -0.270 -0.785 7.178 1.00 51.01 H new ATOM 0 HB VAL A 95 2.750 -0.946 7.547 1.00 72.22 H new ATOM 0 HG11 VAL A 95 2.834 0.629 5.660 1.00 41.25 H new ATOM 0 HG12 VAL A 95 2.081 -0.916 5.198 1.00 41.25 H new ATOM 0 HG13 VAL A 95 1.066 0.516 5.492 1.00 41.25 H new ATOM 0 HG21 VAL A 95 2.630 1.476 7.971 1.00 62.11 H new ATOM 0 HG22 VAL A 95 0.854 1.396 7.900 1.00 62.11 H new ATOM 0 HG23 VAL A 95 1.731 0.546 9.193 1.00 62.11 H new ATOM 1501 N LEU A 96 1.915 -3.266 6.864 1.00 23.23 N ATOM 1502 CA LEU A 96 2.194 -4.497 6.133 1.00 25.22 C ATOM 1503 C LEU A 96 1.026 -5.472 6.241 1.00 53.43 C ATOM 1504 O LEU A 96 0.637 -6.100 5.256 1.00 45.50 O ATOM 1505 CB LEU A 96 3.470 -5.152 6.668 1.00 40.13 C ATOM 1506 CG LEU A 96 3.565 -5.295 8.187 1.00 3.33 C ATOM 1507 CD1 LEU A 96 3.323 -6.737 8.605 1.00 61.34 C ATOM 1508 CD2 LEU A 96 4.921 -4.815 8.684 1.00 44.51 C ATOM 0 H LEU A 96 2.643 -2.993 7.525 1.00 23.23 H new ATOM 0 HA LEU A 96 2.335 -4.243 5.082 1.00 25.22 H new ATOM 0 HB2 LEU A 96 3.559 -6.143 6.224 1.00 40.13 H new ATOM 0 HB3 LEU A 96 4.325 -4.570 6.324 1.00 40.13 H new ATOM 0 HG LEU A 96 2.793 -4.673 8.639 1.00 3.33 H new ATOM 0 HD11 LEU A 96 3.395 -6.818 9.690 1.00 61.34 H new ATOM 0 HD12 LEU A 96 2.329 -7.047 8.283 1.00 61.34 H new ATOM 0 HD13 LEU A 96 4.072 -7.380 8.143 1.00 61.34 H new ATOM 0 HD21 LEU A 96 4.971 -4.924 9.767 1.00 44.51 H new ATOM 0 HD22 LEU A 96 5.709 -5.410 8.223 1.00 44.51 H new ATOM 0 HD23 LEU A 96 5.056 -3.766 8.418 1.00 44.51 H new ATOM 1520 N GLN A 97 0.469 -5.591 7.442 1.00 4.30 N ATOM 1521 CA GLN A 97 -0.656 -6.487 7.677 1.00 44.02 C ATOM 1522 C GLN A 97 -1.823 -6.148 6.756 1.00 71.22 C ATOM 1523 O GLN A 97 -2.422 -7.034 6.143 1.00 11.32 O ATOM 1524 CB GLN A 97 -1.104 -6.407 9.137 1.00 5.44 C ATOM 1525 CG GLN A 97 -0.278 -7.273 10.075 1.00 4.53 C ATOM 1526 CD GLN A 97 -0.691 -8.731 10.039 1.00 53.54 C ATOM 1527 OE1 GLN A 97 -1.560 -9.161 10.798 1.00 14.41 O ATOM 1528 NE2 GLN A 97 -0.071 -9.501 9.153 1.00 65.21 N ATOM 0 H GLN A 97 0.779 -5.078 8.267 1.00 4.30 H new ATOM 0 HA GLN A 97 -0.329 -7.504 7.460 1.00 44.02 H new ATOM 0 HB2 GLN A 97 -1.048 -5.370 9.469 1.00 5.44 H new ATOM 0 HB3 GLN A 97 -2.150 -6.708 9.205 1.00 5.44 H new ATOM 0 HG2 GLN A 97 0.775 -7.191 9.806 1.00 4.53 H new ATOM 0 HG3 GLN A 97 -0.377 -6.896 11.093 1.00 4.53 H new ATOM 0 HE21 GLN A 97 0.643 -9.103 8.543 1.00 65.21 H new ATOM 0 HE22 GLN A 97 -0.309 -10.490 9.082 1.00 65.21 H new ATOM 1537 N LEU A 98 -2.143 -4.862 6.664 1.00 53.14 N ATOM 1538 CA LEU A 98 -3.240 -4.405 5.817 1.00 21.11 C ATOM 1539 C LEU A 98 -2.965 -4.723 4.350 1.00 2.32 C ATOM 1540 O LEU A 98 -3.805 -5.301 3.663 1.00 62.34 O ATOM 1541 CB LEU A 98 -3.454 -2.901 5.993 1.00 2.34 C ATOM 1542 CG LEU A 98 -4.838 -2.472 6.482 1.00 61.53 C ATOM 1543 CD1 LEU A 98 -4.953 -0.956 6.496 1.00 74.04 C ATOM 1544 CD2 LEU A 98 -5.925 -3.084 5.608 1.00 4.13 C ATOM 0 H LEU A 98 -1.659 -4.117 7.165 1.00 53.14 H new ATOM 0 HA LEU A 98 -4.144 -4.932 6.121 1.00 21.11 H new ATOM 0 HB2 LEU A 98 -2.710 -2.529 6.698 1.00 2.34 H new ATOM 0 HB3 LEU A 98 -3.261 -2.413 5.038 1.00 2.34 H new ATOM 0 HG LEU A 98 -4.971 -2.835 7.501 1.00 61.53 H new ATOM 0 HD11 LEU A 98 -5.945 -0.670 6.847 1.00 74.04 H new ATOM 0 HD12 LEU A 98 -4.198 -0.540 7.163 1.00 74.04 H new ATOM 0 HD13 LEU A 98 -4.799 -0.570 5.488 1.00 74.04 H new ATOM 0 HD21 LEU A 98 -6.904 -2.768 5.970 1.00 4.13 H new ATOM 0 HD22 LEU A 98 -5.794 -2.751 4.578 1.00 4.13 H new ATOM 0 HD23 LEU A 98 -5.856 -4.171 5.649 1.00 4.13 H new ATOM 1556 N ALA A 99 -1.781 -4.342 3.879 1.00 34.03 N ATOM 1557 CA ALA A 99 -1.394 -4.590 2.496 1.00 34.43 C ATOM 1558 C ALA A 99 -1.591 -6.056 2.126 1.00 21.32 C ATOM 1559 O ALA A 99 -2.293 -6.375 1.167 1.00 52.33 O ATOM 1560 CB ALA A 99 0.053 -4.176 2.272 1.00 55.34 C ATOM 0 H ALA A 99 -1.074 -3.861 4.435 1.00 34.03 H new ATOM 0 HA ALA A 99 -2.036 -3.991 1.851 1.00 34.43 H new ATOM 0 HB1 ALA A 99 0.330 -4.366 1.235 1.00 55.34 H new ATOM 0 HB2 ALA A 99 0.165 -3.114 2.488 1.00 55.34 H new ATOM 0 HB3 ALA A 99 0.702 -4.751 2.932 1.00 55.34 H new ATOM 1566 N ILE A 100 -0.965 -6.944 2.892 1.00 15.21 N ATOM 1567 CA ILE A 100 -1.072 -8.377 2.643 1.00 13.41 C ATOM 1568 C ILE A 100 -2.522 -8.841 2.721 1.00 52.44 C ATOM 1569 O ILE A 100 -2.963 -9.669 1.924 1.00 63.01 O ATOM 1570 CB ILE A 100 -0.231 -9.187 3.648 1.00 55.12 C ATOM 1571 CG1 ILE A 100 1.228 -8.729 3.610 1.00 63.13 C ATOM 1572 CG2 ILE A 100 -0.334 -10.675 3.345 1.00 14.52 C ATOM 1573 CD1 ILE A 100 2.059 -9.265 4.754 1.00 13.01 C ATOM 0 H ILE A 100 -0.379 -6.697 3.689 1.00 15.21 H new ATOM 0 HA ILE A 100 -0.690 -8.552 1.637 1.00 13.41 H new ATOM 0 HB ILE A 100 -0.620 -9.012 4.651 1.00 55.12 H new ATOM 0 HG12 ILE A 100 1.675 -9.045 2.667 1.00 63.13 H new ATOM 0 HG13 ILE A 100 1.259 -7.640 3.628 1.00 63.13 H new ATOM 0 HG21 ILE A 100 0.265 -11.235 4.063 1.00 14.52 H new ATOM 0 HG22 ILE A 100 -1.375 -10.990 3.417 1.00 14.52 H new ATOM 0 HG23 ILE A 100 0.034 -10.867 2.337 1.00 14.52 H new ATOM 0 HD11 ILE A 100 3.082 -8.900 4.663 1.00 13.01 H new ATOM 0 HD12 ILE A 100 1.636 -8.928 5.700 1.00 13.01 H new ATOM 0 HD13 ILE A 100 2.059 -10.355 4.725 1.00 13.01 H new ATOM 1585 N ASN A 101 -3.261 -8.300 3.684 1.00 21.15 N ATOM 1586 CA ASN A 101 -4.663 -8.658 3.865 1.00 21.04 C ATOM 1587 C ASN A 101 -5.450 -8.445 2.575 1.00 5.24 C ATOM 1588 O ASN A 101 -6.107 -9.359 2.079 1.00 73.41 O ATOM 1589 CB ASN A 101 -5.281 -7.831 4.994 1.00 3.21 C ATOM 1590 CG ASN A 101 -5.334 -8.592 6.305 1.00 0.52 C ATOM 1591 OD1 ASN A 101 -5.599 -9.794 6.328 1.00 43.31 O ATOM 1592 ND2 ASN A 101 -5.082 -7.893 7.405 1.00 11.45 N ATOM 0 H ASN A 101 -2.912 -7.612 4.351 1.00 21.15 H new ATOM 0 HA ASN A 101 -4.711 -9.714 4.129 1.00 21.04 H new ATOM 0 HB2 ASN A 101 -4.702 -6.917 5.130 1.00 3.21 H new ATOM 0 HB3 ASN A 101 -6.290 -7.530 4.710 1.00 3.21 H new ATOM 0 HD21 ASN A 101 -5.104 -8.351 8.316 1.00 11.45 H new ATOM 0 HD22 ASN A 101 -4.867 -6.898 7.339 1.00 11.45 H new ATOM 1599 N ALA A 102 -5.376 -7.233 2.037 1.00 4.20 N ATOM 1600 CA ALA A 102 -6.078 -6.899 0.804 1.00 70.55 C ATOM 1601 C ALA A 102 -5.557 -7.728 -0.366 1.00 23.43 C ATOM 1602 O ALA A 102 -6.330 -8.189 -1.205 1.00 61.23 O ATOM 1603 CB ALA A 102 -5.941 -5.414 0.503 1.00 60.20 C ATOM 0 H ALA A 102 -4.836 -6.465 2.436 1.00 4.20 H new ATOM 0 HA ALA A 102 -7.133 -7.134 0.941 1.00 70.55 H new ATOM 0 HB1 ALA A 102 -6.470 -5.180 -0.421 1.00 60.20 H new ATOM 0 HB2 ALA A 102 -6.368 -4.836 1.323 1.00 60.20 H new ATOM 0 HB3 ALA A 102 -4.887 -5.161 0.391 1.00 60.20 H new ATOM 1609 N PHE A 103 -4.242 -7.914 -0.414 1.00 2.22 N ATOM 1610 CA PHE A 103 -3.618 -8.687 -1.482 1.00 5.25 C ATOM 1611 C PHE A 103 -4.256 -10.068 -1.599 1.00 14.23 C ATOM 1612 O PHE A 103 -4.826 -10.413 -2.632 1.00 61.52 O ATOM 1613 CB PHE A 103 -2.116 -8.827 -1.227 1.00 41.32 C ATOM 1614 CG PHE A 103 -1.397 -9.605 -2.292 1.00 2.11 C ATOM 1615 CD1 PHE A 103 -1.639 -9.354 -3.633 1.00 64.15 C ATOM 1616 CD2 PHE A 103 -0.481 -10.587 -1.951 1.00 41.14 C ATOM 1617 CE1 PHE A 103 -0.979 -10.068 -4.615 1.00 60.55 C ATOM 1618 CE2 PHE A 103 0.182 -11.304 -2.930 1.00 30.12 C ATOM 1619 CZ PHE A 103 -0.068 -11.045 -4.264 1.00 33.51 C ATOM 0 H PHE A 103 -3.588 -7.540 0.274 1.00 2.22 H new ATOM 0 HA PHE A 103 -3.773 -8.154 -2.420 1.00 5.25 H new ATOM 0 HB2 PHE A 103 -1.674 -7.833 -1.153 1.00 41.32 H new ATOM 0 HB3 PHE A 103 -1.963 -9.316 -0.265 1.00 41.32 H new ATOM 0 HD1 PHE A 103 -2.351 -8.592 -3.914 1.00 64.15 H new ATOM 0 HD2 PHE A 103 -0.283 -10.795 -0.910 1.00 41.14 H new ATOM 0 HE1 PHE A 103 -1.176 -9.862 -5.657 1.00 60.55 H new ATOM 0 HE2 PHE A 103 0.895 -12.066 -2.652 1.00 30.12 H new ATOM 0 HZ PHE A 103 0.448 -11.605 -5.030 1.00 33.51 H new ATOM 1629 N ASN A 104 -4.155 -10.852 -0.531 1.00 13.14 N ATOM 1630 CA ASN A 104 -4.721 -12.196 -0.513 1.00 13.22 C ATOM 1631 C ASN A 104 -6.244 -12.146 -0.581 1.00 51.34 C ATOM 1632 O ASN A 104 -6.879 -13.019 -1.172 1.00 21.23 O ATOM 1633 CB ASN A 104 -4.281 -12.941 0.748 1.00 24.34 C ATOM 1634 CG ASN A 104 -5.139 -12.599 1.951 1.00 21.12 C ATOM 1635 OD1 ASN A 104 -6.276 -13.056 2.065 1.00 20.15 O ATOM 1636 ND2 ASN A 104 -4.596 -11.791 2.855 1.00 73.43 N ATOM 0 H ASN A 104 -3.687 -10.580 0.333 1.00 13.14 H new ATOM 0 HA ASN A 104 -4.353 -12.729 -1.389 1.00 13.22 H new ATOM 0 HB2 ASN A 104 -4.326 -14.015 0.567 1.00 24.34 H new ATOM 0 HB3 ASN A 104 -3.241 -12.698 0.966 1.00 24.34 H new ATOM 0 HD21 ASN A 104 -5.126 -11.526 3.685 1.00 73.43 H new ATOM 0 HD22 ASN A 104 -3.650 -11.436 2.719 1.00 73.43 H new ATOM 1643 N ASN A 105 -6.825 -11.115 0.026 1.00 71.40 N ATOM 1644 CA ASN A 105 -8.274 -10.950 0.034 1.00 34.41 C ATOM 1645 C ASN A 105 -8.832 -10.975 -1.385 1.00 71.24 C ATOM 1646 O ASN A 105 -9.760 -11.727 -1.687 1.00 4.12 O ATOM 1647 CB ASN A 105 -8.655 -9.638 0.720 1.00 3.44 C ATOM 1648 CG ASN A 105 -10.131 -9.318 0.580 1.00 73.10 C ATOM 1649 OD1 ASN A 105 -10.503 -8.234 0.131 1.00 30.11 O ATOM 1650 ND2 ASN A 105 -10.980 -10.264 0.964 1.00 61.24 N ATOM 0 H ASN A 105 -6.314 -10.382 0.518 1.00 71.40 H new ATOM 0 HA ASN A 105 -8.706 -11.782 0.590 1.00 34.41 H new ATOM 0 HB2 ASN A 105 -8.398 -9.696 1.778 1.00 3.44 H new ATOM 0 HB3 ASN A 105 -8.068 -8.825 0.294 1.00 3.44 H new ATOM 0 HD21 ASN A 105 -11.985 -10.107 0.892 1.00 61.24 H new ATOM 0 HD22 ASN A 105 -10.627 -11.148 1.330 1.00 61.24 H new ATOM 1657 N LYS A 106 -8.260 -10.149 -2.255 1.00 34.21 N ATOM 1658 CA LYS A 106 -8.698 -10.077 -3.644 1.00 64.40 C ATOM 1659 C LYS A 106 -8.029 -11.162 -4.483 1.00 25.04 C ATOM 1660 O LYS A 106 -6.804 -11.283 -4.495 1.00 53.11 O ATOM 1661 CB LYS A 106 -8.382 -8.699 -4.228 1.00 41.22 C ATOM 1662 CG LYS A 106 -8.227 -8.699 -5.739 1.00 55.14 C ATOM 1663 CD LYS A 106 -9.472 -9.234 -6.428 1.00 0.23 C ATOM 1664 CE LYS A 106 -10.056 -8.215 -7.394 1.00 13.11 C ATOM 1665 NZ LYS A 106 -10.833 -8.866 -8.483 1.00 72.34 N ATOM 0 H LYS A 106 -7.492 -9.520 -2.022 1.00 34.21 H new ATOM 0 HA LYS A 106 -9.776 -10.237 -3.668 1.00 64.40 H new ATOM 0 HB2 LYS A 106 -9.177 -8.006 -3.953 1.00 41.22 H new ATOM 0 HB3 LYS A 106 -7.463 -8.325 -3.777 1.00 41.22 H new ATOM 0 HG2 LYS A 106 -8.026 -7.685 -6.085 1.00 55.14 H new ATOM 0 HG3 LYS A 106 -7.366 -9.307 -6.017 1.00 55.14 H new ATOM 0 HD2 LYS A 106 -9.226 -10.149 -6.967 1.00 0.23 H new ATOM 0 HD3 LYS A 106 -10.219 -9.497 -5.679 1.00 0.23 H new ATOM 0 HE2 LYS A 106 -10.702 -7.526 -6.849 1.00 13.11 H new ATOM 0 HE3 LYS A 106 -9.251 -7.622 -7.827 1.00 13.11 H new ATOM 0 HZ1 LYS A 106 -11.215 -8.138 -9.120 1.00 72.34 H new ATOM 0 HZ2 LYS A 106 -10.211 -9.504 -9.019 1.00 72.34 H new ATOM 0 HZ3 LYS A 106 -11.617 -9.411 -8.072 1.00 72.34 H new