USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 863 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 60 ASN : amide:sc= -2.56! C(o=-2.8!,f=-4.1!) USER MOD Set 1.2: A 106 HIS : no HD1:sc= -0.274 X(o=-2.8,f=-2.3) USER MOD Set 2.1: A 18 THR OG1 : rot 131:sc= 0.155 USER MOD Set 2.2: A 38 HIS : no HD1:sc= 0.14 K(o=0.29,f=-1.8) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0966 (180deg=-0.672) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.839 (180deg=0.446) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0265 USER MOD Single : A 6 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.7!) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 23 GLN : amide:sc=-0.00395 K(o=-0.0039,f=-1.1) USER MOD Single : A 28 GLN : amide:sc= -0.872 K(o=-0.87,f=-4.9!) USER MOD Single : A 29 ASN :FLIP amide:sc=-0.00893 F(o=-0.95,f=-0.0089) USER MOD Single : A 31 ASN : amide:sc= -0.287 K(o=-0.29,f=-0.98) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -100:sc= 0.873 USER MOD Single : A 35 SER OG : rot -159:sc= 0.0164 USER MOD Single : A 37 MET CE :methyl 152:sc= -0.229 (180deg=-1.07) USER MOD Single : A 44 ASN : amide:sc= 0.343 K(o=0.34,f=-1.8!) USER MOD Single : A 46 SER OG : rot -54:sc= 1.04 USER MOD Single : A 47 SER OG : rot -46:sc= 0.57 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= 1.45 (180deg=1.26) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -85:sc= 1.3 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.6!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.674 F(o=-4.4!,f=-0.67) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 82 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.38) USER MOD Single : A 83 ASN : amide:sc= 1.8 K(o=1.8,f=-7.4!) USER MOD Single : A 92 SER OG : rot -84:sc= 1.04 USER MOD Single : A 97 ASN : amide:sc= -0.0525 K(o=-0.053,f=-1.3!) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= -0.871 (180deg=-0.924) USER MOD Single : A 103 HIS :FLIP no HD1:sc= 0.266 F(o=-2.3!,f=0.27) USER MOD Single : A 104 HIS : no HD1:sc= -0.0905 X(o=-0.09,f=-0.45) USER MOD Single : A 105 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.12) USER MOD Single : A 107 HIS : no HD1:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.018 -2.309 -1.473 1.00 0.00 N ATOM 2 CA MET A 1 -13.477 -3.684 -1.546 1.00 0.00 C ATOM 3 C MET A 1 -12.647 -3.864 -2.805 1.00 0.00 C ATOM 4 O MET A 1 -13.109 -3.596 -3.913 1.00 0.00 O ATOM 5 CB MET A 1 -14.613 -4.717 -1.528 1.00 0.00 C ATOM 6 CG MET A 1 -14.127 -6.160 -1.593 1.00 0.00 C ATOM 7 SD MET A 1 -15.475 -7.358 -1.616 1.00 0.00 S ATOM 8 CE MET A 1 -16.278 -6.997 -0.057 1.00 0.00 C ATOM 0 H1 MET A 1 -14.664 -2.233 -0.662 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.236 -1.634 -1.357 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.535 -2.093 -2.349 1.00 0.00 H new ATOM 0 HA MET A 1 -12.842 -3.841 -0.674 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.202 -4.581 -0.621 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.278 -4.528 -2.371 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.516 -6.292 -2.486 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.485 -6.360 -0.735 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.914 -7.835 0.227 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.523 -6.837 0.713 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.887 -6.099 -0.161 1.00 0.00 H new ATOM 20 N LEU A 2 -11.424 -4.335 -2.630 1.00 0.00 N ATOM 21 CA LEU A 2 -10.528 -4.561 -3.746 1.00 0.00 C ATOM 22 C LEU A 2 -10.579 -6.025 -4.162 1.00 0.00 C ATOM 23 O LEU A 2 -9.988 -6.894 -3.519 1.00 0.00 O ATOM 24 CB LEU A 2 -9.093 -4.160 -3.386 1.00 0.00 C ATOM 25 CG LEU A 2 -8.071 -4.313 -4.517 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.444 -3.438 -5.706 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.677 -3.966 -4.022 1.00 0.00 C ATOM 0 H LEU A 2 -11.029 -4.569 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.852 -3.940 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.095 -3.121 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.766 -4.762 -2.538 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.077 -5.353 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -7.704 -3.563 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.426 -3.730 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.470 -2.394 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.963 -4.080 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.663 -2.935 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.404 -4.634 -3.205 1.00 0.00 H new ATOM 39 N VAL A 3 -11.332 -6.293 -5.211 1.00 0.00 N ATOM 40 CA VAL A 3 -11.416 -7.637 -5.762 1.00 0.00 C ATOM 41 C VAL A 3 -10.206 -7.921 -6.648 1.00 0.00 C ATOM 42 O VAL A 3 -10.052 -7.332 -7.720 1.00 0.00 O ATOM 43 CB VAL A 3 -12.713 -7.834 -6.579 1.00 0.00 C ATOM 44 CG1 VAL A 3 -12.822 -9.264 -7.089 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.931 -7.460 -5.749 1.00 0.00 C ATOM 0 H VAL A 3 -11.896 -5.599 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.429 -8.336 -4.926 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.674 -7.172 -7.444 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -13.743 -9.377 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.968 -9.488 -7.728 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.833 -9.952 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -14.834 -7.606 -6.342 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.974 -8.091 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.859 -6.415 -5.448 1.00 0.00 H new ATOM 55 N ILE A 4 -9.339 -8.811 -6.185 1.00 0.00 N ATOM 56 CA ILE A 4 -8.150 -9.183 -6.939 1.00 0.00 C ATOM 57 C ILE A 4 -8.470 -10.334 -7.884 1.00 0.00 C ATOM 58 O ILE A 4 -8.053 -10.341 -9.043 1.00 0.00 O ATOM 59 CB ILE A 4 -6.993 -9.590 -6.000 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.654 -8.444 -5.041 1.00 0.00 C ATOM 61 CG2 ILE A 4 -5.763 -9.991 -6.805 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.553 -8.778 -4.055 1.00 0.00 C ATOM 0 H ILE A 4 -9.437 -9.289 -5.289 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.834 -8.313 -7.515 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.314 -10.450 -5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.356 -7.572 -5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.552 -8.167 -4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.960 -10.274 -6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -6.009 -10.836 -7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.440 -9.150 -7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.369 -7.919 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.856 -9.630 -3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.641 -9.026 -4.598 1.00 0.00 H new ATOM 74 N SER A 5 -9.232 -11.291 -7.384 1.00 0.00 N ATOM 75 CA SER A 5 -9.618 -12.455 -8.157 1.00 0.00 C ATOM 76 C SER A 5 -10.919 -13.009 -7.592 1.00 0.00 C ATOM 77 O SER A 5 -11.407 -12.518 -6.572 1.00 0.00 O ATOM 78 CB SER A 5 -8.506 -13.512 -8.117 1.00 0.00 C ATOM 79 OG SER A 5 -8.782 -14.590 -8.997 1.00 0.00 O ATOM 0 H SER A 5 -9.599 -11.282 -6.432 1.00 0.00 H new ATOM 0 HA SER A 5 -9.771 -12.175 -9.199 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.556 -13.053 -8.389 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.398 -13.889 -7.100 1.00 0.00 H new ATOM 0 HG SER A 5 -8.055 -15.245 -8.950 1.00 0.00 H new ATOM 85 N ASN A 6 -11.471 -14.026 -8.237 1.00 0.00 N ATOM 86 CA ASN A 6 -12.745 -14.604 -7.815 1.00 0.00 C ATOM 87 C ASN A 6 -12.645 -15.171 -6.402 1.00 0.00 C ATOM 88 O ASN A 6 -13.604 -15.123 -5.633 1.00 0.00 O ATOM 89 CB ASN A 6 -13.204 -15.701 -8.788 1.00 0.00 C ATOM 90 CG ASN A 6 -13.509 -15.178 -10.183 1.00 0.00 C ATOM 91 OD1 ASN A 6 -12.872 -14.243 -10.665 1.00 0.00 O ATOM 92 ND2 ASN A 6 -14.488 -15.776 -10.844 1.00 0.00 N ATOM 0 H ASN A 6 -11.058 -14.471 -9.057 1.00 0.00 H new ATOM 0 HA ASN A 6 -13.485 -13.804 -7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.429 -16.465 -8.855 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -14.094 -16.184 -8.386 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -14.734 -15.464 -11.783 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -14.996 -16.549 -10.414 1.00 0.00 H new ATOM 99 N ASN A 7 -11.469 -15.678 -6.058 1.00 0.00 N ATOM 100 CA ASN A 7 -11.259 -16.294 -4.752 1.00 0.00 C ATOM 101 C ASN A 7 -10.479 -15.377 -3.815 1.00 0.00 C ATOM 102 O ASN A 7 -10.065 -15.793 -2.733 1.00 0.00 O ATOM 103 CB ASN A 7 -10.513 -17.626 -4.893 1.00 0.00 C ATOM 104 CG ASN A 7 -11.378 -18.745 -5.449 1.00 0.00 C ATOM 105 OD1 ASN A 7 -12.292 -18.518 -6.243 1.00 0.00 O ATOM 106 ND2 ASN A 7 -11.087 -19.969 -5.037 1.00 0.00 N ATOM 0 H ASN A 7 -10.647 -15.676 -6.662 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.245 -16.472 -4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -9.651 -17.484 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.129 -17.924 -3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.627 -20.764 -5.378 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -10.322 -20.117 -4.378 1.00 0.00 H new ATOM 113 N VAL A 8 -10.285 -14.125 -4.217 1.00 0.00 N ATOM 114 CA VAL A 8 -9.515 -13.186 -3.410 1.00 0.00 C ATOM 115 C VAL A 8 -10.201 -11.824 -3.358 1.00 0.00 C ATOM 116 O VAL A 8 -10.365 -11.154 -4.382 1.00 0.00 O ATOM 117 CB VAL A 8 -8.078 -12.998 -3.953 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.287 -12.056 -3.062 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.361 -14.334 -4.075 1.00 0.00 C ATOM 0 H VAL A 8 -10.647 -13.740 -5.089 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.458 -13.612 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.152 -12.558 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.280 -11.937 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.781 -11.085 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.232 -12.469 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.354 -14.173 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.304 -14.807 -3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.911 -14.981 -4.759 1.00 0.00 H new ATOM 129 N HIS A 9 -10.578 -11.408 -2.161 1.00 0.00 N ATOM 130 CA HIS A 9 -11.217 -10.115 -1.959 1.00 0.00 C ATOM 131 C HIS A 9 -10.555 -9.385 -0.802 1.00 0.00 C ATOM 132 O HIS A 9 -10.272 -9.984 0.233 1.00 0.00 O ATOM 133 CB HIS A 9 -12.712 -10.276 -1.649 1.00 0.00 C ATOM 134 CG HIS A 9 -13.472 -11.084 -2.657 1.00 0.00 C ATOM 135 ND1 HIS A 9 -14.097 -10.719 -3.802 1.00 0.00 N flip ATOM 136 CD2 HIS A 9 -13.661 -12.441 -2.536 1.00 0.00 C flip ATOM 137 CE1 HIS A 9 -14.646 -11.854 -4.342 1.00 0.00 C flip ATOM 138 NE2 HIS A 9 -14.369 -12.879 -3.561 1.00 0.00 N flip ATOM 0 H HIS A 9 -10.452 -11.951 -1.307 1.00 0.00 H new ATOM 0 HA HIS A 9 -11.106 -9.543 -2.880 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.819 -10.745 -0.671 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.164 -9.287 -1.579 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.288 -13.053 -1.728 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.214 -11.900 -5.259 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.653 -13.845 -3.721 1.00 0.00 H new ATOM 147 N LEU A 10 -10.297 -8.102 -0.983 1.00 0.00 N ATOM 148 CA LEU A 10 -9.754 -7.277 0.085 1.00 0.00 C ATOM 149 C LEU A 10 -10.814 -6.310 0.597 1.00 0.00 C ATOM 150 O LEU A 10 -11.167 -5.341 -0.080 1.00 0.00 O ATOM 151 CB LEU A 10 -8.524 -6.507 -0.395 1.00 0.00 C ATOM 152 CG LEU A 10 -7.299 -7.370 -0.704 1.00 0.00 C ATOM 153 CD1 LEU A 10 -6.150 -6.503 -1.188 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.886 -8.171 0.524 1.00 0.00 C ATOM 0 H LEU A 10 -10.455 -7.607 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.451 -7.932 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.791 -5.948 -1.292 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.252 -5.776 0.367 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.560 -8.071 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.286 -7.131 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.449 -5.974 -2.093 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.889 -5.780 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.013 -8.779 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.641 -7.489 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.707 -8.820 0.829 1.00 0.00 H new ATOM 166 N PRO A 11 -11.364 -6.586 1.783 1.00 0.00 N ATOM 167 CA PRO A 11 -12.357 -5.723 2.420 1.00 0.00 C ATOM 168 C PRO A 11 -11.791 -4.354 2.776 1.00 0.00 C ATOM 169 O PRO A 11 -10.638 -4.233 3.193 1.00 0.00 O ATOM 170 CB PRO A 11 -12.748 -6.484 3.694 1.00 0.00 C ATOM 171 CG PRO A 11 -12.294 -7.884 3.463 1.00 0.00 C ATOM 172 CD PRO A 11 -11.074 -7.774 2.599 1.00 0.00 C ATOM 0 HA PRO A 11 -13.198 -5.525 1.756 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.268 -6.054 4.573 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.824 -6.441 3.865 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.064 -8.382 4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.070 -8.472 2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.168 -7.647 3.192 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.931 -8.663 1.984 1.00 0.00 H new ATOM 180 N ASP A 12 -12.620 -3.331 2.597 1.00 0.00 N ATOM 181 CA ASP A 12 -12.267 -1.947 2.889 1.00 0.00 C ATOM 182 C ASP A 12 -11.689 -1.798 4.293 1.00 0.00 C ATOM 183 O ASP A 12 -10.715 -1.078 4.509 1.00 0.00 O ATOM 184 CB ASP A 12 -13.519 -1.081 2.783 1.00 0.00 C ATOM 185 CG ASP A 12 -14.198 -1.169 1.430 1.00 0.00 C ATOM 186 OD1 ASP A 12 -14.714 -2.259 1.089 1.00 0.00 O ATOM 187 OD2 ASP A 12 -14.244 -0.153 0.704 1.00 0.00 O ATOM 0 H ASP A 12 -13.569 -3.442 2.240 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.511 -1.633 2.170 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.226 -1.381 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.252 -0.043 2.981 1.00 0.00 H new ATOM 192 N ALA A 13 -12.302 -2.495 5.235 1.00 0.00 N ATOM 193 CA ALA A 13 -11.933 -2.407 6.646 1.00 0.00 C ATOM 194 C ALA A 13 -10.508 -2.888 6.911 1.00 0.00 C ATOM 195 O ALA A 13 -9.894 -2.501 7.903 1.00 0.00 O ATOM 196 CB ALA A 13 -12.918 -3.201 7.488 1.00 0.00 C ATOM 0 H ALA A 13 -13.070 -3.139 5.047 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.971 -1.354 6.925 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.637 -3.131 8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.921 -2.796 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.903 -4.246 7.177 1.00 0.00 H new ATOM 202 N GLU A 14 -9.972 -3.716 6.024 1.00 0.00 N ATOM 203 CA GLU A 14 -8.654 -4.299 6.243 1.00 0.00 C ATOM 204 C GLU A 14 -7.557 -3.408 5.669 1.00 0.00 C ATOM 205 O GLU A 14 -6.373 -3.745 5.711 1.00 0.00 O ATOM 206 CB GLU A 14 -8.594 -5.706 5.643 1.00 0.00 C ATOM 207 CG GLU A 14 -9.619 -6.652 6.253 1.00 0.00 C ATOM 208 CD GLU A 14 -9.558 -8.053 5.681 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.789 -8.285 4.727 1.00 0.00 O ATOM 210 OE2 GLU A 14 -10.291 -8.933 6.189 1.00 0.00 O ATOM 0 H GLU A 14 -10.424 -3.997 5.154 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.484 -4.375 7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.758 -5.645 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.595 -6.116 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.462 -6.700 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.618 -6.246 6.094 1.00 0.00 H new ATOM 217 N ILE A 15 -7.965 -2.260 5.158 1.00 0.00 N ATOM 218 CA ILE A 15 -7.031 -1.283 4.623 1.00 0.00 C ATOM 219 C ILE A 15 -7.154 0.022 5.403 1.00 0.00 C ATOM 220 O ILE A 15 -8.237 0.607 5.482 1.00 0.00 O ATOM 221 CB ILE A 15 -7.281 -1.018 3.122 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.343 -2.337 2.344 1.00 0.00 C ATOM 223 CG2 ILE A 15 -6.189 -0.118 2.556 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.694 -2.164 0.881 1.00 0.00 C ATOM 0 H ILE A 15 -8.944 -1.979 5.102 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.024 -1.687 4.728 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.241 -0.512 3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.379 -2.839 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.080 -2.990 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.377 0.061 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.188 0.832 3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.220 -0.603 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.719 -3.139 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.672 -1.690 0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.944 -1.538 0.398 1.00 0.00 H new ATOM 236 N GLU A 16 -6.057 0.466 5.994 1.00 0.00 N ATOM 237 CA GLU A 16 -6.059 1.667 6.816 1.00 0.00 C ATOM 238 C GLU A 16 -5.532 2.860 6.018 1.00 0.00 C ATOM 239 O GLU A 16 -4.343 2.932 5.698 1.00 0.00 O ATOM 240 CB GLU A 16 -5.209 1.426 8.067 1.00 0.00 C ATOM 241 CG GLU A 16 -5.204 2.576 9.060 1.00 0.00 C ATOM 242 CD GLU A 16 -6.569 2.830 9.665 1.00 0.00 C ATOM 243 OE1 GLU A 16 -7.074 1.955 10.399 1.00 0.00 O ATOM 244 OE2 GLU A 16 -7.140 3.913 9.420 1.00 0.00 O ATOM 0 H GLU A 16 -5.148 0.010 5.920 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.080 1.896 7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.573 0.530 8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.183 1.224 7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.492 2.360 9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.858 3.481 8.560 1.00 0.00 H new ATOM 251 N LEU A 17 -6.428 3.778 5.680 1.00 0.00 N ATOM 252 CA LEU A 17 -6.066 4.956 4.899 1.00 0.00 C ATOM 253 C LEU A 17 -5.881 6.167 5.805 1.00 0.00 C ATOM 254 O LEU A 17 -6.782 6.531 6.560 1.00 0.00 O ATOM 255 CB LEU A 17 -7.133 5.274 3.842 1.00 0.00 C ATOM 256 CG LEU A 17 -7.251 4.289 2.668 1.00 0.00 C ATOM 257 CD1 LEU A 17 -5.880 3.965 2.095 1.00 0.00 C ATOM 258 CD2 LEU A 17 -7.980 3.022 3.087 1.00 0.00 C ATOM 0 H LEU A 17 -7.414 3.730 5.935 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.126 4.733 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.101 5.328 4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.927 6.265 3.437 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.840 4.768 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.988 3.266 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.409 4.881 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.259 3.515 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.049 2.344 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.432 2.537 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.983 3.276 3.431 1.00 0.00 H new ATOM 270 N THR A 18 -4.711 6.779 5.729 1.00 0.00 N ATOM 271 CA THR A 18 -4.430 7.988 6.478 1.00 0.00 C ATOM 272 C THR A 18 -3.938 9.080 5.526 1.00 0.00 C ATOM 273 O THR A 18 -3.463 8.787 4.426 1.00 0.00 O ATOM 274 CB THR A 18 -3.355 7.735 7.559 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.447 6.391 8.050 1.00 0.00 O ATOM 276 CG2 THR A 18 -3.513 8.709 8.719 1.00 0.00 C ATOM 0 H THR A 18 -3.936 6.454 5.151 1.00 0.00 H new ATOM 0 HA THR A 18 -5.350 8.305 6.969 1.00 0.00 H new ATOM 0 HB THR A 18 -2.378 7.887 7.101 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.559 5.976 8.036 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.745 8.511 9.467 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.409 9.730 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.498 8.583 9.168 1.00 0.00 H new ATOM 284 N ALA A 19 -4.068 10.326 5.936 1.00 0.00 N ATOM 285 CA ALA A 19 -3.576 11.447 5.153 1.00 0.00 C ATOM 286 C ALA A 19 -2.472 12.163 5.913 1.00 0.00 C ATOM 287 O ALA A 19 -2.599 12.409 7.112 1.00 0.00 O ATOM 288 CB ALA A 19 -4.709 12.408 4.827 1.00 0.00 C ATOM 0 H ALA A 19 -4.514 10.591 6.814 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.170 11.070 4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.322 13.241 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.475 11.886 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.143 12.787 5.753 1.00 0.00 H new ATOM 294 N ILE A 20 -1.389 12.491 5.225 1.00 0.00 N ATOM 295 CA ILE A 20 -0.256 13.138 5.859 1.00 0.00 C ATOM 296 C ILE A 20 -0.302 14.642 5.632 1.00 0.00 C ATOM 297 O ILE A 20 0.005 15.132 4.542 1.00 0.00 O ATOM 298 CB ILE A 20 1.089 12.600 5.332 1.00 0.00 C ATOM 299 CG1 ILE A 20 1.161 11.082 5.489 1.00 0.00 C ATOM 300 CG2 ILE A 20 2.250 13.272 6.057 1.00 0.00 C ATOM 301 CD1 ILE A 20 2.425 10.470 4.921 1.00 0.00 C ATOM 0 H ILE A 20 -1.273 12.319 4.226 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.326 12.916 6.924 1.00 0.00 H new ATOM 0 HB ILE A 20 1.163 12.835 4.270 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.091 10.831 6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.298 10.633 4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.193 12.882 5.674 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.209 14.348 5.891 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.180 13.067 7.125 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.405 9.390 5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.488 10.689 3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.293 10.890 5.430 1.00 0.00 H new ATOM 313 N ARG A 21 -0.700 15.367 6.655 1.00 0.00 N ATOM 314 CA ARG A 21 -0.681 16.813 6.612 1.00 0.00 C ATOM 315 C ARG A 21 0.505 17.329 7.411 1.00 0.00 C ATOM 316 O ARG A 21 0.655 17.023 8.598 1.00 0.00 O ATOM 317 CB ARG A 21 -1.988 17.393 7.148 1.00 0.00 C ATOM 318 CG ARG A 21 -2.011 18.909 7.204 1.00 0.00 C ATOM 319 CD ARG A 21 -3.354 19.428 7.689 1.00 0.00 C ATOM 320 NE ARG A 21 -3.294 20.840 8.056 1.00 0.00 N ATOM 321 CZ ARG A 21 -4.355 21.585 8.360 1.00 0.00 C ATOM 322 NH1 ARG A 21 -5.581 21.099 8.214 1.00 0.00 N ATOM 323 NH2 ARG A 21 -4.185 22.834 8.777 1.00 0.00 N ATOM 0 H ARG A 21 -1.043 14.975 7.532 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.579 17.134 5.575 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.811 17.050 6.520 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.165 17.000 8.149 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.222 19.262 7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.799 19.314 6.214 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.101 19.288 6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.680 18.843 8.549 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.377 21.286 8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.715 20.149 7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.389 21.675 8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.245 23.219 8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.995 23.408 9.011 1.00 0.00 H new ATOM 337 N ALA A 22 1.343 18.095 6.752 1.00 0.00 N ATOM 338 CA ALA A 22 2.572 18.578 7.356 1.00 0.00 C ATOM 339 C ALA A 22 2.327 19.853 8.145 1.00 0.00 C ATOM 340 O ALA A 22 1.483 20.676 7.776 1.00 0.00 O ATOM 341 CB ALA A 22 3.632 18.804 6.292 1.00 0.00 C ATOM 0 H ALA A 22 1.198 18.401 5.790 1.00 0.00 H new ATOM 0 HA ALA A 22 2.931 17.817 8.049 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.547 19.166 6.761 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.835 17.866 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.275 19.543 5.574 1.00 0.00 H new ATOM 347 N GLN A 23 3.054 20.004 9.235 1.00 0.00 N ATOM 348 CA GLN A 23 2.953 21.188 10.054 1.00 0.00 C ATOM 349 C GLN A 23 4.136 22.110 9.797 1.00 0.00 C ATOM 350 O GLN A 23 5.206 21.662 9.379 1.00 0.00 O ATOM 351 CB GLN A 23 2.878 20.812 11.530 1.00 0.00 C ATOM 352 CG GLN A 23 4.007 19.912 12.008 1.00 0.00 C ATOM 353 CD GLN A 23 3.991 19.731 13.511 1.00 0.00 C ATOM 354 OE1 GLN A 23 3.575 20.628 14.248 1.00 0.00 O ATOM 355 NE2 GLN A 23 4.424 18.569 13.976 1.00 0.00 N ATOM 0 H GLN A 23 3.725 19.314 9.573 1.00 0.00 H new ATOM 0 HA GLN A 23 2.038 21.717 9.789 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.881 21.725 12.125 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.928 20.312 11.717 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.924 18.939 11.525 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.963 20.338 11.704 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.760 17.854 13.330 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.422 18.389 14.980 1.00 0.00 H new ATOM 364 N GLY A 24 3.936 23.392 10.052 1.00 0.00 N ATOM 365 CA GLY A 24 4.966 24.368 9.780 1.00 0.00 C ATOM 366 C GLY A 24 6.100 24.308 10.777 1.00 0.00 C ATOM 367 O GLY A 24 7.226 23.970 10.418 1.00 0.00 O ATOM 0 H GLY A 24 3.076 23.775 10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.360 24.205 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.528 25.366 9.793 1.00 0.00 H new ATOM 371 N ALA A 25 5.786 24.636 12.029 1.00 0.00 N ATOM 372 CA ALA A 25 6.767 24.684 13.116 1.00 0.00 C ATOM 373 C ALA A 25 7.802 25.782 12.875 1.00 0.00 C ATOM 374 O ALA A 25 7.801 26.428 11.823 1.00 0.00 O ATOM 375 CB ALA A 25 7.444 23.330 13.303 1.00 0.00 C ATOM 0 H ALA A 25 4.839 24.878 12.321 1.00 0.00 H new ATOM 0 HA ALA A 25 6.233 24.923 14.036 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.167 23.394 14.116 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.693 22.578 13.544 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.956 23.049 12.383 1.00 0.00 H new ATOM 381 N GLY A 26 8.676 26.000 13.850 1.00 0.00 N ATOM 382 CA GLY A 26 9.679 27.041 13.733 1.00 0.00 C ATOM 383 C GLY A 26 9.060 28.418 13.585 1.00 0.00 C ATOM 384 O GLY A 26 8.356 28.889 14.480 1.00 0.00 O ATOM 0 H GLY A 26 8.708 25.472 14.722 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.321 27.026 14.614 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.315 26.836 12.872 1.00 0.00 H new ATOM 388 N GLY A 27 9.308 29.059 12.450 1.00 0.00 N ATOM 389 CA GLY A 27 8.746 30.369 12.194 1.00 0.00 C ATOM 390 C GLY A 27 7.628 30.317 11.172 1.00 0.00 C ATOM 391 O GLY A 27 7.489 31.229 10.356 1.00 0.00 O ATOM 0 H GLY A 27 9.892 28.692 11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.367 30.789 13.125 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.531 31.037 11.839 1.00 0.00 H new ATOM 395 N GLN A 28 6.849 29.232 11.228 1.00 0.00 N ATOM 396 CA GLN A 28 5.714 28.999 10.332 1.00 0.00 C ATOM 397 C GLN A 28 6.194 28.650 8.926 1.00 0.00 C ATOM 398 O GLN A 28 6.999 29.362 8.328 1.00 0.00 O ATOM 399 CB GLN A 28 4.774 30.217 10.312 1.00 0.00 C ATOM 400 CG GLN A 28 3.419 29.983 9.640 1.00 0.00 C ATOM 401 CD GLN A 28 3.385 30.331 8.156 1.00 0.00 C ATOM 402 OE1 GLN A 28 4.372 30.210 7.440 1.00 0.00 O ATOM 403 NE2 GLN A 28 2.232 30.773 7.686 1.00 0.00 N ATOM 0 H GLN A 28 6.991 28.483 11.905 1.00 0.00 H new ATOM 0 HA GLN A 28 5.150 28.148 10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.602 30.540 11.339 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.278 31.037 9.801 1.00 0.00 H new ATOM 0 HG2 GLN A 28 3.142 28.936 9.762 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.663 30.574 10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.428 30.863 8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.145 31.025 6.701 1.00 0.00 H new ATOM 412 N ASN A 29 5.703 27.538 8.413 1.00 0.00 N ATOM 413 CA ASN A 29 5.979 27.147 7.040 1.00 0.00 C ATOM 414 C ASN A 29 4.923 26.173 6.567 1.00 0.00 C ATOM 415 O ASN A 29 5.059 24.962 6.713 1.00 0.00 O ATOM 416 CB ASN A 29 7.365 26.517 6.906 1.00 0.00 C ATOM 417 CG ASN A 29 7.758 26.262 5.461 1.00 0.00 C ATOM 418 OD1 ASN A 29 7.406 27.182 4.573 1.00 0.00 O flip ATOM 419 ND2 ASN A 29 8.401 25.261 5.149 1.00 0.00 N flip ATOM 0 H ASN A 29 5.109 26.887 8.926 1.00 0.00 H new ATOM 0 HA ASN A 29 5.958 28.044 6.421 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.103 27.172 7.368 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.386 25.576 7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.654 24.575 5.860 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.682 25.117 4.179 1.00 0.00 H new ATOM 426 N VAL A 30 3.853 26.719 6.034 1.00 0.00 N ATOM 427 CA VAL A 30 2.736 25.916 5.566 1.00 0.00 C ATOM 428 C VAL A 30 2.367 26.285 4.135 1.00 0.00 C ATOM 429 O VAL A 30 1.914 27.393 3.850 1.00 0.00 O ATOM 430 CB VAL A 30 1.501 26.038 6.490 1.00 0.00 C ATOM 431 CG1 VAL A 30 1.711 25.230 7.763 1.00 0.00 C ATOM 432 CG2 VAL A 30 1.211 27.490 6.836 1.00 0.00 C ATOM 0 H VAL A 30 3.729 27.724 5.911 1.00 0.00 H new ATOM 0 HA VAL A 30 3.060 24.875 5.590 1.00 0.00 H new ATOM 0 HB VAL A 30 0.641 25.640 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.834 25.325 8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.861 24.181 7.508 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.588 25.604 8.291 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.338 27.542 7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.071 27.921 7.349 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.016 28.050 5.921 1.00 0.00 H new ATOM 442 N ASN A 31 2.595 25.347 3.239 1.00 0.00 N ATOM 443 CA ASN A 31 2.319 25.533 1.821 1.00 0.00 C ATOM 444 C ASN A 31 0.991 24.879 1.466 1.00 0.00 C ATOM 445 O ASN A 31 0.874 24.153 0.478 1.00 0.00 O ATOM 446 CB ASN A 31 3.467 24.945 1.005 1.00 0.00 C ATOM 447 CG ASN A 31 3.357 25.216 -0.486 1.00 0.00 C ATOM 448 OD1 ASN A 31 2.769 26.209 -0.916 1.00 0.00 O ATOM 449 ND2 ASN A 31 3.946 24.338 -1.284 1.00 0.00 N ATOM 0 H ASN A 31 2.978 24.430 3.470 1.00 0.00 H new ATOM 0 HA ASN A 31 2.241 26.595 1.589 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.409 25.354 1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.503 23.868 1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.923 24.472 -2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.423 23.528 -0.888 1.00 0.00 H new ATOM 456 N LYS A 32 0.003 25.143 2.314 1.00 0.00 N ATOM 457 CA LYS A 32 -1.345 24.584 2.187 1.00 0.00 C ATOM 458 C LYS A 32 -1.336 23.093 2.549 1.00 0.00 C ATOM 459 O LYS A 32 -0.266 22.506 2.743 1.00 0.00 O ATOM 460 CB LYS A 32 -1.888 24.808 0.763 1.00 0.00 C ATOM 461 CG LYS A 32 -3.383 24.569 0.613 1.00 0.00 C ATOM 462 CD LYS A 32 -3.850 24.830 -0.810 1.00 0.00 C ATOM 463 CE LYS A 32 -5.356 24.660 -0.945 1.00 0.00 C ATOM 464 NZ LYS A 32 -5.821 24.922 -2.332 1.00 0.00 N ATOM 0 H LYS A 32 0.113 25.758 3.120 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.008 25.098 2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.664 25.831 0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.357 24.148 0.077 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.618 23.542 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.927 25.217 1.300 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.569 25.841 -1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.343 24.146 -1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.635 23.647 -0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.861 25.339 -0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.852 24.796 -2.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.578 25.897 -2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -5.359 24.257 -2.985 1.00 0.00 H new ATOM 478 N VAL A 33 -2.523 22.500 2.672 1.00 0.00 N ATOM 479 CA VAL A 33 -2.661 21.078 2.986 1.00 0.00 C ATOM 480 C VAL A 33 -1.770 20.221 2.081 1.00 0.00 C ATOM 481 O VAL A 33 -1.718 20.414 0.863 1.00 0.00 O ATOM 482 CB VAL A 33 -4.137 20.616 2.875 1.00 0.00 C ATOM 483 CG1 VAL A 33 -4.690 20.849 1.474 1.00 0.00 C ATOM 484 CG2 VAL A 33 -4.282 19.153 3.277 1.00 0.00 C ATOM 0 H VAL A 33 -3.411 22.988 2.558 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.336 20.943 4.018 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.723 21.220 3.568 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.726 20.514 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.642 21.912 1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.098 20.288 0.751 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.327 18.854 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.671 18.533 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.952 19.025 4.308 1.00 0.00 H new ATOM 494 N SER A 34 -1.041 19.304 2.699 1.00 0.00 N ATOM 495 CA SER A 34 -0.103 18.454 1.998 1.00 0.00 C ATOM 496 C SER A 34 -0.826 17.413 1.145 1.00 0.00 C ATOM 497 O SER A 34 -1.974 17.062 1.419 1.00 0.00 O ATOM 498 CB SER A 34 0.786 17.779 3.032 1.00 0.00 C ATOM 499 OG SER A 34 1.253 18.732 3.973 1.00 0.00 O ATOM 0 H SER A 34 -1.087 19.131 3.703 1.00 0.00 H new ATOM 0 HA SER A 34 0.500 19.057 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.229 16.994 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.632 17.300 2.538 1.00 0.00 H new ATOM 0 HG SER A 34 2.170 18.994 3.746 1.00 0.00 H new ATOM 505 N SER A 35 -0.153 16.927 0.112 1.00 0.00 N ATOM 506 CA SER A 35 -0.752 15.979 -0.814 1.00 0.00 C ATOM 507 C SER A 35 -0.251 14.558 -0.570 1.00 0.00 C ATOM 508 O SER A 35 -0.489 13.659 -1.379 1.00 0.00 O ATOM 509 CB SER A 35 -0.442 16.408 -2.245 1.00 0.00 C ATOM 510 OG SER A 35 0.941 16.675 -2.406 1.00 0.00 O ATOM 0 H SER A 35 0.812 17.175 -0.106 1.00 0.00 H new ATOM 0 HA SER A 35 -1.830 15.977 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.748 15.624 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.020 17.298 -2.495 1.00 0.00 H new ATOM 0 HG SER A 35 1.074 17.249 -3.189 1.00 0.00 H new ATOM 516 N ALA A 36 0.418 14.355 0.555 1.00 0.00 N ATOM 517 CA ALA A 36 0.992 13.066 0.882 1.00 0.00 C ATOM 518 C ALA A 36 -0.009 12.219 1.645 1.00 0.00 C ATOM 519 O ALA A 36 -0.577 12.652 2.642 1.00 0.00 O ATOM 520 CB ALA A 36 2.269 13.241 1.692 1.00 0.00 C ATOM 0 H ALA A 36 0.576 15.075 1.260 1.00 0.00 H new ATOM 0 HA ALA A 36 1.241 12.553 -0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.687 12.262 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.992 13.813 1.112 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.043 13.773 2.616 1.00 0.00 H new ATOM 526 N MET A 37 -0.242 11.021 1.157 1.00 0.00 N ATOM 527 CA MET A 37 -1.134 10.091 1.823 1.00 0.00 C ATOM 528 C MET A 37 -0.348 8.971 2.485 1.00 0.00 C ATOM 529 O MET A 37 0.752 8.627 2.052 1.00 0.00 O ATOM 530 CB MET A 37 -2.152 9.515 0.841 1.00 0.00 C ATOM 531 CG MET A 37 -3.079 10.560 0.242 1.00 0.00 C ATOM 532 SD MET A 37 -4.521 9.833 -0.555 1.00 0.00 S ATOM 533 CE MET A 37 -5.343 9.090 0.853 1.00 0.00 C ATOM 0 H MET A 37 0.175 10.664 0.297 1.00 0.00 H new ATOM 0 HA MET A 37 -1.673 10.639 2.596 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.621 9.008 0.035 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.750 8.761 1.352 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.407 11.241 1.027 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.527 11.155 -0.486 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.416 9.047 0.667 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.960 8.081 1.007 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.153 9.690 1.743 1.00 0.00 H new ATOM 543 N HIS A 38 -0.920 8.412 3.536 1.00 0.00 N ATOM 544 CA HIS A 38 -0.268 7.376 4.317 1.00 0.00 C ATOM 545 C HIS A 38 -1.111 6.124 4.311 1.00 0.00 C ATOM 546 O HIS A 38 -2.273 6.140 4.709 1.00 0.00 O ATOM 547 CB HIS A 38 -0.070 7.867 5.747 1.00 0.00 C ATOM 548 CG HIS A 38 0.501 6.859 6.697 1.00 0.00 C ATOM 549 ND1 HIS A 38 -0.261 6.171 7.620 1.00 0.00 N ATOM 550 CD2 HIS A 38 1.775 6.464 6.898 1.00 0.00 C ATOM 551 CE1 HIS A 38 0.527 5.402 8.345 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.770 5.561 7.930 1.00 0.00 N ATOM 0 H HIS A 38 -1.850 8.663 3.872 1.00 0.00 H new ATOM 0 HA HIS A 38 0.704 7.148 3.879 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.587 8.736 5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.032 8.203 6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.641 6.798 6.346 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.209 4.750 9.145 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.590 5.091 8.313 1.00 0.00 H new ATOM 561 N LEU A 39 -0.523 5.043 3.865 1.00 0.00 N ATOM 562 CA LEU A 39 -1.242 3.794 3.753 1.00 0.00 C ATOM 563 C LEU A 39 -0.688 2.760 4.715 1.00 0.00 C ATOM 564 O LEU A 39 0.527 2.587 4.831 1.00 0.00 O ATOM 565 CB LEU A 39 -1.188 3.251 2.322 1.00 0.00 C ATOM 566 CG LEU A 39 -2.180 3.871 1.331 1.00 0.00 C ATOM 567 CD1 LEU A 39 -1.774 5.289 0.958 1.00 0.00 C ATOM 568 CD2 LEU A 39 -2.297 3.006 0.086 1.00 0.00 C ATOM 0 H LEU A 39 0.453 5.000 3.572 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.282 3.993 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.179 3.398 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.362 2.176 2.356 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.154 3.919 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.497 5.701 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.747 5.908 1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.786 5.275 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.005 3.460 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.321 2.924 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.649 2.013 0.365 1.00 0.00 H new ATOM 580 N ARG A 40 -1.589 2.102 5.418 1.00 0.00 N ATOM 581 CA ARG A 40 -1.238 0.983 6.267 1.00 0.00 C ATOM 582 C ARG A 40 -2.023 -0.245 5.834 1.00 0.00 C ATOM 583 O ARG A 40 -3.243 -0.307 5.999 1.00 0.00 O ATOM 584 CB ARG A 40 -1.528 1.302 7.736 1.00 0.00 C ATOM 585 CG ARG A 40 -1.500 0.078 8.639 1.00 0.00 C ATOM 586 CD ARG A 40 -1.991 0.401 10.037 1.00 0.00 C ATOM 587 NE ARG A 40 -2.159 -0.803 10.851 1.00 0.00 N ATOM 588 CZ ARG A 40 -2.296 -0.797 12.175 1.00 0.00 C ATOM 589 NH1 ARG A 40 -2.291 0.349 12.844 1.00 0.00 N ATOM 590 NH2 ARG A 40 -2.449 -1.942 12.827 1.00 0.00 N ATOM 0 H ARG A 40 -2.584 2.329 5.416 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.170 0.788 6.168 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.795 2.025 8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.507 1.776 7.810 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.121 -0.707 8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.484 -0.312 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.283 1.072 10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.941 0.931 9.974 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.172 -1.704 10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.182 1.231 12.344 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.396 0.348 13.859 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.461 -2.823 12.314 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.554 -1.941 13.842 1.00 0.00 H new ATOM 604 N PHE A 41 -1.335 -1.205 5.253 1.00 0.00 N ATOM 605 CA PHE A 41 -1.972 -2.438 4.844 1.00 0.00 C ATOM 606 C PHE A 41 -1.511 -3.569 5.746 1.00 0.00 C ATOM 607 O PHE A 41 -0.345 -3.981 5.706 1.00 0.00 O ATOM 608 CB PHE A 41 -1.665 -2.748 3.377 1.00 0.00 C ATOM 609 CG PHE A 41 -2.419 -3.933 2.843 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.770 -3.831 2.551 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.783 -5.145 2.639 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.469 -4.917 2.063 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.477 -6.234 2.152 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.821 -6.121 1.865 1.00 0.00 C ATOM 0 H PHE A 41 -0.336 -1.155 5.054 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.053 -2.329 4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.903 -1.873 2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.596 -2.929 3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.281 -2.892 2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.731 -5.240 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.521 -4.825 1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.968 -7.174 1.996 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.366 -6.973 1.486 1.00 0.00 H new ATOM 624 N ASP A 42 -2.417 -4.041 6.590 1.00 0.00 N ATOM 625 CA ASP A 42 -2.110 -5.117 7.514 1.00 0.00 C ATOM 626 C ASP A 42 -2.127 -6.450 6.780 1.00 0.00 C ATOM 627 O ASP A 42 -3.157 -7.117 6.714 1.00 0.00 O ATOM 628 CB ASP A 42 -3.113 -5.155 8.677 1.00 0.00 C ATOM 629 CG ASP A 42 -3.169 -3.855 9.455 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.167 -3.508 10.118 1.00 0.00 O ATOM 631 OD2 ASP A 42 -4.223 -3.188 9.429 1.00 0.00 O ATOM 0 H ASP A 42 -3.374 -3.692 6.652 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.117 -4.936 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.105 -5.381 8.286 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.845 -5.966 9.354 1.00 0.00 H new ATOM 636 N ILE A 43 -0.989 -6.816 6.206 1.00 0.00 N ATOM 637 CA ILE A 43 -0.860 -8.073 5.476 1.00 0.00 C ATOM 638 C ILE A 43 -1.242 -9.245 6.374 1.00 0.00 C ATOM 639 O ILE A 43 -1.926 -10.174 5.953 1.00 0.00 O ATOM 640 CB ILE A 43 0.583 -8.273 4.953 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.024 -7.060 4.128 1.00 0.00 C ATOM 642 CG2 ILE A 43 0.671 -9.546 4.118 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.458 -7.140 3.645 1.00 0.00 C ATOM 0 H ILE A 43 -0.136 -6.257 6.231 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.535 -8.032 4.621 1.00 0.00 H new ATOM 0 HB ILE A 43 1.253 -8.372 5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.365 -6.959 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.902 -6.159 4.729 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.691 -9.674 3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.393 -10.403 4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.008 -9.472 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.698 -6.247 3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.127 -7.209 4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.581 -8.022 3.016 1.00 0.00 H new ATOM 655 N ASN A 44 -0.815 -9.161 7.626 1.00 0.00 N ATOM 656 CA ASN A 44 -1.117 -10.170 8.629 1.00 0.00 C ATOM 657 C ASN A 44 -2.626 -10.370 8.770 1.00 0.00 C ATOM 658 O ASN A 44 -3.130 -11.489 8.658 1.00 0.00 O ATOM 659 CB ASN A 44 -0.525 -9.724 9.965 1.00 0.00 C ATOM 660 CG ASN A 44 -0.439 -10.836 10.991 1.00 0.00 C ATOM 661 OD1 ASN A 44 -1.243 -11.769 11.003 1.00 0.00 O ATOM 662 ND2 ASN A 44 0.547 -10.740 11.861 1.00 0.00 N ATOM 0 H ASN A 44 -0.248 -8.388 7.975 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.681 -11.120 8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.473 -9.320 9.794 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.132 -8.914 10.369 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.665 -11.455 12.579 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.191 -9.951 11.816 1.00 0.00 H new ATOM 669 N ALA A 45 -3.342 -9.272 8.982 1.00 0.00 N ATOM 670 CA ALA A 45 -4.765 -9.334 9.294 1.00 0.00 C ATOM 671 C ALA A 45 -5.629 -9.480 8.044 1.00 0.00 C ATOM 672 O ALA A 45 -6.764 -9.946 8.128 1.00 0.00 O ATOM 673 CB ALA A 45 -5.185 -8.099 10.073 1.00 0.00 C ATOM 0 H ALA A 45 -2.960 -8.327 8.943 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.921 -10.224 9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.250 -8.157 10.300 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.618 -8.045 11.002 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.989 -7.208 9.476 1.00 0.00 H new ATOM 679 N SER A 46 -5.093 -9.084 6.892 1.00 0.00 N ATOM 680 CA SER A 46 -5.855 -9.091 5.643 1.00 0.00 C ATOM 681 C SER A 46 -6.357 -10.493 5.285 1.00 0.00 C ATOM 682 O SER A 46 -5.837 -11.502 5.770 1.00 0.00 O ATOM 683 CB SER A 46 -5.002 -8.536 4.499 1.00 0.00 C ATOM 684 OG SER A 46 -3.861 -9.346 4.271 1.00 0.00 O ATOM 0 H SER A 46 -4.133 -8.754 6.796 1.00 0.00 H new ATOM 0 HA SER A 46 -6.727 -8.454 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.600 -8.481 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.688 -7.519 4.736 1.00 0.00 H new ATOM 0 HG SER A 46 -3.362 -9.452 5.108 1.00 0.00 H new ATOM 690 N SER A 47 -7.368 -10.540 4.428 1.00 0.00 N ATOM 691 CA SER A 47 -7.967 -11.792 3.984 1.00 0.00 C ATOM 692 C SER A 47 -7.147 -12.444 2.861 1.00 0.00 C ATOM 693 O SER A 47 -7.624 -13.361 2.187 1.00 0.00 O ATOM 694 CB SER A 47 -9.402 -11.525 3.507 1.00 0.00 C ATOM 695 OG SER A 47 -10.102 -12.731 3.246 1.00 0.00 O ATOM 0 H SER A 47 -7.797 -9.709 4.020 1.00 0.00 H new ATOM 0 HA SER A 47 -7.979 -12.486 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.936 -10.951 4.264 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.378 -10.916 2.603 1.00 0.00 H new ATOM 0 HG SER A 47 -9.532 -13.334 2.725 1.00 0.00 H new ATOM 701 N LEU A 48 -5.919 -11.974 2.668 1.00 0.00 N ATOM 702 CA LEU A 48 -5.032 -12.524 1.651 1.00 0.00 C ATOM 703 C LEU A 48 -4.706 -13.988 1.938 1.00 0.00 C ATOM 704 O LEU A 48 -4.532 -14.380 3.091 1.00 0.00 O ATOM 705 CB LEU A 48 -3.733 -11.717 1.582 1.00 0.00 C ATOM 706 CG LEU A 48 -3.839 -10.337 0.933 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.500 -9.616 1.001 1.00 0.00 C ATOM 708 CD2 LEU A 48 -4.297 -10.466 -0.512 1.00 0.00 C ATOM 0 H LEU A 48 -5.514 -11.208 3.207 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.549 -12.462 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.351 -11.592 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.994 -12.300 1.032 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.577 -9.751 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.591 -8.635 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.204 -9.497 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.745 -10.200 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.368 -9.475 -0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.578 -11.066 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.274 -10.949 -0.542 1.00 0.00 H new ATOM 720 N PRO A 49 -4.629 -14.810 0.883 1.00 0.00 N ATOM 721 CA PRO A 49 -4.209 -16.208 0.999 1.00 0.00 C ATOM 722 C PRO A 49 -2.763 -16.331 1.493 1.00 0.00 C ATOM 723 O PRO A 49 -1.935 -15.451 1.235 1.00 0.00 O ATOM 724 CB PRO A 49 -4.334 -16.744 -0.435 1.00 0.00 C ATOM 725 CG PRO A 49 -5.235 -15.785 -1.129 1.00 0.00 C ATOM 726 CD PRO A 49 -4.962 -14.451 -0.501 1.00 0.00 C ATOM 0 HA PRO A 49 -4.811 -16.758 1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.361 -16.795 -0.923 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.748 -17.752 -0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.034 -15.763 -2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.280 -16.070 -1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.140 -13.932 -0.994 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.830 -13.794 -0.552 1.00 0.00 H new ATOM 734 N PRO A 50 -2.447 -17.430 2.205 1.00 0.00 N ATOM 735 CA PRO A 50 -1.116 -17.660 2.793 1.00 0.00 C ATOM 736 C PRO A 50 0.016 -17.525 1.778 1.00 0.00 C ATOM 737 O PRO A 50 1.072 -16.975 2.089 1.00 0.00 O ATOM 738 CB PRO A 50 -1.199 -19.097 3.312 1.00 0.00 C ATOM 739 CG PRO A 50 -2.648 -19.326 3.558 1.00 0.00 C ATOM 740 CD PRO A 50 -3.373 -18.542 2.502 1.00 0.00 C ATOM 0 HA PRO A 50 -0.887 -16.923 3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.804 -19.805 2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.617 -19.222 4.225 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.892 -20.386 3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.932 -18.993 4.556 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.571 -19.147 1.617 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.336 -18.178 2.861 1.00 0.00 H new ATOM 748 N PHE A 51 -0.222 -18.020 0.564 1.00 0.00 N ATOM 749 CA PHE A 51 0.766 -17.954 -0.513 1.00 0.00 C ATOM 750 C PHE A 51 1.257 -16.524 -0.722 1.00 0.00 C ATOM 751 O PHE A 51 2.458 -16.269 -0.825 1.00 0.00 O ATOM 752 CB PHE A 51 0.148 -18.486 -1.810 1.00 0.00 C ATOM 753 CG PHE A 51 1.085 -18.479 -2.983 1.00 0.00 C ATOM 754 CD1 PHE A 51 2.055 -19.457 -3.120 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.996 -17.490 -3.950 1.00 0.00 C ATOM 756 CE1 PHE A 51 2.917 -19.450 -4.200 1.00 0.00 C ATOM 757 CE2 PHE A 51 1.856 -17.477 -5.030 1.00 0.00 C ATOM 758 CZ PHE A 51 2.817 -18.458 -5.155 1.00 0.00 C ATOM 0 H PHE A 51 -1.096 -18.474 0.300 1.00 0.00 H new ATOM 0 HA PHE A 51 1.621 -18.569 -0.234 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.200 -19.505 -1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.728 -17.886 -2.055 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.139 -20.234 -2.375 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.244 -16.720 -3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.668 -20.220 -4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.776 -16.700 -5.776 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.491 -18.450 -5.999 1.00 0.00 H new ATOM 768 N TYR A 52 0.311 -15.600 -0.769 1.00 0.00 N ATOM 769 CA TYR A 52 0.611 -14.198 -0.986 1.00 0.00 C ATOM 770 C TYR A 52 1.285 -13.595 0.241 1.00 0.00 C ATOM 771 O TYR A 52 2.275 -12.874 0.125 1.00 0.00 O ATOM 772 CB TYR A 52 -0.679 -13.442 -1.304 1.00 0.00 C ATOM 773 CG TYR A 52 -1.349 -13.876 -2.594 1.00 0.00 C ATOM 774 CD1 TYR A 52 -2.020 -15.091 -2.679 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.305 -13.073 -3.725 1.00 0.00 C ATOM 776 CE1 TYR A 52 -2.634 -15.487 -3.851 1.00 0.00 C ATOM 777 CE2 TYR A 52 -1.919 -13.462 -4.902 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.577 -14.674 -4.960 1.00 0.00 C ATOM 779 OH TYR A 52 -3.185 -15.068 -6.131 1.00 0.00 O ATOM 0 H TYR A 52 -0.683 -15.802 -0.658 1.00 0.00 H new ATOM 0 HA TYR A 52 1.298 -14.111 -1.828 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.379 -13.577 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.458 -12.376 -1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.062 -15.736 -1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.783 -12.129 -3.686 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.157 -16.431 -3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.884 -12.821 -5.771 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.052 -14.380 -6.816 1.00 0.00 H new ATOM 789 N LYS A 53 0.749 -13.910 1.417 1.00 0.00 N ATOM 790 CA LYS A 53 1.268 -13.367 2.668 1.00 0.00 C ATOM 791 C LYS A 53 2.730 -13.748 2.883 1.00 0.00 C ATOM 792 O LYS A 53 3.574 -12.879 3.092 1.00 0.00 O ATOM 793 CB LYS A 53 0.431 -13.845 3.857 1.00 0.00 C ATOM 794 CG LYS A 53 -0.956 -13.229 3.912 1.00 0.00 C ATOM 795 CD LYS A 53 -1.704 -13.647 5.168 1.00 0.00 C ATOM 796 CE LYS A 53 -3.038 -12.929 5.276 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.788 -13.308 6.502 1.00 0.00 N ATOM 0 H LYS A 53 -0.046 -14.539 1.529 1.00 0.00 H new ATOM 0 HA LYS A 53 1.203 -12.281 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.336 -14.930 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.960 -13.611 4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.874 -12.143 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.524 -13.531 3.032 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.868 -14.725 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.097 -13.427 6.046 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.869 -11.852 5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.643 -13.158 4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.774 -12.987 6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.769 -14.342 6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.347 -12.861 7.331 1.00 0.00 H new ATOM 811 N GLU A 54 3.021 -15.041 2.808 1.00 0.00 N ATOM 812 CA GLU A 54 4.348 -15.564 3.133 1.00 0.00 C ATOM 813 C GLU A 54 5.458 -14.898 2.323 1.00 0.00 C ATOM 814 O GLU A 54 6.502 -14.543 2.872 1.00 0.00 O ATOM 815 CB GLU A 54 4.391 -17.074 2.912 1.00 0.00 C ATOM 816 CG GLU A 54 3.583 -17.860 3.930 1.00 0.00 C ATOM 817 CD GLU A 54 4.008 -17.568 5.354 1.00 0.00 C ATOM 818 OE1 GLU A 54 5.140 -17.944 5.727 1.00 0.00 O ATOM 819 OE2 GLU A 54 3.220 -16.956 6.106 1.00 0.00 O ATOM 0 H GLU A 54 2.351 -15.755 2.522 1.00 0.00 H new ATOM 0 HA GLU A 54 4.526 -15.335 4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.017 -17.297 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.428 -17.409 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.526 -17.622 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.693 -18.926 3.732 1.00 0.00 H new ATOM 826 N ARG A 55 5.236 -14.727 1.030 1.00 0.00 N ATOM 827 CA ARG A 55 6.254 -14.154 0.160 1.00 0.00 C ATOM 828 C ARG A 55 6.441 -12.661 0.426 1.00 0.00 C ATOM 829 O ARG A 55 7.542 -12.138 0.282 1.00 0.00 O ATOM 830 CB ARG A 55 5.916 -14.412 -1.310 1.00 0.00 C ATOM 831 CG ARG A 55 6.035 -15.880 -1.697 1.00 0.00 C ATOM 832 CD ARG A 55 5.906 -16.085 -3.202 1.00 0.00 C ATOM 833 NE ARG A 55 6.127 -17.484 -3.583 1.00 0.00 N ATOM 834 CZ ARG A 55 6.477 -17.886 -4.807 1.00 0.00 C ATOM 835 NH1 ARG A 55 6.601 -17.007 -5.794 1.00 0.00 N ATOM 836 NH2 ARG A 55 6.695 -19.172 -5.039 1.00 0.00 N ATOM 0 H ARG A 55 4.365 -14.975 0.560 1.00 0.00 H new ATOM 0 HA ARG A 55 7.200 -14.647 0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.900 -14.070 -1.509 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.581 -13.821 -1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.996 -16.267 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.262 -16.454 -1.185 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.914 -15.772 -3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.626 -15.450 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 55 6.005 -18.198 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.429 -16.017 -5.620 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.869 -17.322 -6.727 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.595 -19.851 -4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.963 -19.484 -5.973 1.00 0.00 H new ATOM 850 N LEU A 56 5.368 -11.985 0.823 1.00 0.00 N ATOM 851 CA LEU A 56 5.446 -10.573 1.190 1.00 0.00 C ATOM 852 C LEU A 56 6.135 -10.405 2.541 1.00 0.00 C ATOM 853 O LEU A 56 6.997 -9.544 2.717 1.00 0.00 O ATOM 854 CB LEU A 56 4.046 -9.956 1.243 1.00 0.00 C ATOM 855 CG LEU A 56 3.336 -9.813 -0.105 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.926 -9.274 0.089 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.127 -8.904 -1.033 1.00 0.00 C ATOM 0 H LEU A 56 4.435 -12.390 0.899 1.00 0.00 H new ATOM 0 HA LEU A 56 6.033 -10.058 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.424 -10.566 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.120 -8.970 1.701 1.00 0.00 H new ATOM 0 HG LEU A 56 3.270 -10.800 -0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.436 -9.179 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.357 -9.960 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.973 -8.297 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.606 -8.815 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.225 -7.918 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.118 -9.327 -1.199 1.00 0.00 H new ATOM 869 N LEU A 57 5.735 -11.237 3.494 1.00 0.00 N ATOM 870 CA LEU A 57 6.296 -11.225 4.829 1.00 0.00 C ATOM 871 C LEU A 57 7.797 -11.485 4.798 1.00 0.00 C ATOM 872 O LEU A 57 8.561 -10.863 5.536 1.00 0.00 O ATOM 873 CB LEU A 57 5.599 -12.290 5.670 1.00 0.00 C ATOM 874 CG LEU A 57 4.099 -12.082 5.885 1.00 0.00 C ATOM 875 CD1 LEU A 57 3.523 -13.203 6.734 1.00 0.00 C ATOM 876 CD2 LEU A 57 3.835 -10.731 6.524 1.00 0.00 C ATOM 0 H LEU A 57 5.009 -11.940 3.357 1.00 0.00 H new ATOM 0 HA LEU A 57 6.138 -10.240 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.749 -13.259 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.085 -12.334 6.645 1.00 0.00 H new ATOM 0 HG LEU A 57 3.604 -12.101 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.455 -13.039 6.877 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.680 -14.157 6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.021 -13.218 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.763 -10.601 6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.341 -10.679 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.212 -9.941 5.874 1.00 0.00 H new ATOM 888 N ALA A 58 8.211 -12.406 3.940 1.00 0.00 N ATOM 889 CA ALA A 58 9.615 -12.761 3.813 1.00 0.00 C ATOM 890 C ALA A 58 10.260 -12.038 2.633 1.00 0.00 C ATOM 891 O ALA A 58 11.189 -12.552 2.009 1.00 0.00 O ATOM 892 CB ALA A 58 9.755 -14.270 3.655 1.00 0.00 C ATOM 0 H ALA A 58 7.589 -12.923 3.318 1.00 0.00 H new ATOM 0 HA ALA A 58 10.133 -12.448 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 58 10.809 -14.530 3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.336 -14.768 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.220 -14.594 2.762 1.00 0.00 H new ATOM 898 N LEU A 59 9.780 -10.839 2.332 1.00 0.00 N ATOM 899 CA LEU A 59 10.327 -10.067 1.232 1.00 0.00 C ATOM 900 C LEU A 59 11.567 -9.303 1.691 1.00 0.00 C ATOM 901 O LEU A 59 11.779 -9.102 2.889 1.00 0.00 O ATOM 902 CB LEU A 59 9.274 -9.097 0.690 1.00 0.00 C ATOM 903 CG LEU A 59 9.533 -8.577 -0.723 1.00 0.00 C ATOM 904 CD1 LEU A 59 9.566 -9.729 -1.721 1.00 0.00 C ATOM 905 CD2 LEU A 59 8.477 -7.559 -1.125 1.00 0.00 C ATOM 0 H LEU A 59 9.017 -10.384 2.833 1.00 0.00 H new ATOM 0 HA LEU A 59 10.614 -10.750 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.304 -9.594 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.206 -8.245 1.366 1.00 0.00 H new ATOM 0 HG LEU A 59 10.505 -8.084 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.752 -9.338 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.361 -10.423 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.609 -10.250 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.681 -7.202 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.492 -8.026 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.499 -6.718 -0.432 1.00 0.00 H new ATOM 917 N ASN A 60 12.375 -8.866 0.734 1.00 0.00 N ATOM 918 CA ASN A 60 13.613 -8.148 1.037 1.00 0.00 C ATOM 919 C ASN A 60 13.327 -6.666 1.237 1.00 0.00 C ATOM 920 O ASN A 60 14.231 -5.856 1.440 1.00 0.00 O ATOM 921 CB ASN A 60 14.616 -8.357 -0.103 1.00 0.00 C ATOM 922 CG ASN A 60 16.020 -7.852 0.209 1.00 0.00 C ATOM 923 OD1 ASN A 60 16.831 -8.560 0.802 1.00 0.00 O ATOM 924 ND2 ASN A 60 16.331 -6.639 -0.230 1.00 0.00 N ATOM 0 H ASN A 60 12.197 -8.995 -0.262 1.00 0.00 H new ATOM 0 HA ASN A 60 14.041 -8.538 1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.667 -9.420 -0.339 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.248 -7.850 -0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.269 -6.267 -0.079 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.632 -6.079 -0.719 1.00 0.00 H new ATOM 931 N ASP A 61 12.057 -6.315 1.208 1.00 0.00 N ATOM 932 CA ASP A 61 11.674 -4.916 1.281 1.00 0.00 C ATOM 933 C ASP A 61 11.600 -4.467 2.729 1.00 0.00 C ATOM 934 O ASP A 61 10.802 -4.976 3.511 1.00 0.00 O ATOM 935 CB ASP A 61 10.344 -4.660 0.579 1.00 0.00 C ATOM 936 CG ASP A 61 10.187 -3.198 0.221 1.00 0.00 C ATOM 937 OD1 ASP A 61 9.875 -2.388 1.114 1.00 0.00 O ATOM 938 OD2 ASP A 61 10.420 -2.851 -0.958 1.00 0.00 O ATOM 0 H ASP A 61 11.279 -6.970 1.135 1.00 0.00 H new ATOM 0 HA ASP A 61 12.438 -4.335 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.284 -5.267 -0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.523 -4.969 1.226 1.00 0.00 H new ATOM 943 N SER A 62 12.440 -3.505 3.072 1.00 0.00 N ATOM 944 CA SER A 62 12.570 -3.047 4.449 1.00 0.00 C ATOM 945 C SER A 62 11.401 -2.147 4.873 1.00 0.00 C ATOM 946 O SER A 62 11.359 -1.663 6.008 1.00 0.00 O ATOM 947 CB SER A 62 13.900 -2.312 4.615 1.00 0.00 C ATOM 948 OG SER A 62 14.980 -3.108 4.143 1.00 0.00 O ATOM 0 H SER A 62 13.048 -3.021 2.411 1.00 0.00 H new ATOM 0 HA SER A 62 12.548 -3.921 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 62 13.871 -1.370 4.068 1.00 0.00 H new ATOM 0 HB3 SER A 62 14.056 -2.066 5.665 1.00 0.00 H new ATOM 0 HG SER A 62 15.821 -2.618 4.257 1.00 0.00 H new ATOM 954 N ARG A 63 10.458 -1.918 3.966 1.00 0.00 N ATOM 955 CA ARG A 63 9.264 -1.151 4.290 1.00 0.00 C ATOM 956 C ARG A 63 8.148 -2.090 4.736 1.00 0.00 C ATOM 957 O ARG A 63 7.079 -1.654 5.168 1.00 0.00 O ATOM 958 CB ARG A 63 8.834 -0.314 3.087 1.00 0.00 C ATOM 959 CG ARG A 63 9.803 0.813 2.773 1.00 0.00 C ATOM 960 CD ARG A 63 9.647 1.312 1.350 1.00 0.00 C ATOM 961 NE ARG A 63 10.082 0.311 0.376 1.00 0.00 N ATOM 962 CZ ARG A 63 10.785 0.593 -0.721 1.00 0.00 C ATOM 963 NH1 ARG A 63 11.159 1.841 -0.977 1.00 0.00 N ATOM 964 NH2 ARG A 63 11.127 -0.378 -1.555 1.00 0.00 N ATOM 0 H ARG A 63 10.498 -2.252 3.003 1.00 0.00 H new ATOM 0 HA ARG A 63 9.485 -0.470 5.112 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.743 -0.961 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.846 0.106 3.277 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.638 1.637 3.467 1.00 0.00 H new ATOM 0 HG3 ARG A 63 10.825 0.466 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.604 1.569 1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.228 2.225 1.218 1.00 0.00 H new ATOM 0 HE ARG A 63 9.832 -0.663 0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.909 2.591 -0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.697 2.050 -1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.852 -1.340 -1.357 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.665 -0.163 -2.395 1.00 0.00 H new ATOM 978 N ILE A 64 8.417 -3.384 4.624 1.00 0.00 N ATOM 979 CA ILE A 64 7.520 -4.405 5.127 1.00 0.00 C ATOM 980 C ILE A 64 8.018 -4.884 6.487 1.00 0.00 C ATOM 981 O ILE A 64 9.104 -5.449 6.598 1.00 0.00 O ATOM 982 CB ILE A 64 7.413 -5.598 4.150 1.00 0.00 C ATOM 983 CG1 ILE A 64 6.854 -5.122 2.806 1.00 0.00 C ATOM 984 CG2 ILE A 64 6.533 -6.697 4.738 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.692 -6.224 1.779 1.00 0.00 C ATOM 0 H ILE A 64 9.261 -3.750 4.183 1.00 0.00 H new ATOM 0 HA ILE A 64 6.525 -3.972 5.227 1.00 0.00 H new ATOM 0 HB ILE A 64 8.409 -6.012 3.990 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.885 -4.651 2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.515 -4.356 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.470 -7.528 4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.965 -7.047 5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.534 -6.303 4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.291 -5.805 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.661 -6.681 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.007 -6.980 2.162 1.00 0.00 H new ATOM 997 N THR A 65 7.230 -4.631 7.521 1.00 0.00 N ATOM 998 CA THR A 65 7.630 -4.952 8.883 1.00 0.00 C ATOM 999 C THR A 65 7.491 -6.444 9.163 1.00 0.00 C ATOM 1000 O THR A 65 6.666 -7.128 8.552 1.00 0.00 O ATOM 1001 CB THR A 65 6.798 -4.164 9.911 1.00 0.00 C ATOM 1002 OG1 THR A 65 5.402 -4.420 9.712 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.069 -2.672 9.792 1.00 0.00 C ATOM 0 H THR A 65 6.307 -4.203 7.443 1.00 0.00 H new ATOM 0 HA THR A 65 8.678 -4.667 8.981 1.00 0.00 H new ATOM 0 HB THR A 65 7.086 -4.492 10.910 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.054 -3.818 9.021 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.471 -2.134 10.527 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.126 -2.479 9.973 1.00 0.00 H new ATOM 0 HG23 THR A 65 6.804 -2.333 8.791 1.00 0.00 H new ATOM 1011 N SER A 66 8.277 -6.938 10.115 1.00 0.00 N ATOM 1012 CA SER A 66 8.267 -8.354 10.461 1.00 0.00 C ATOM 1013 C SER A 66 7.012 -8.727 11.254 1.00 0.00 C ATOM 1014 O SER A 66 6.829 -9.882 11.637 1.00 0.00 O ATOM 1015 CB SER A 66 9.529 -8.706 11.252 1.00 0.00 C ATOM 1016 OG SER A 66 10.693 -8.497 10.465 1.00 0.00 O ATOM 0 H SER A 66 8.930 -6.376 10.661 1.00 0.00 H new ATOM 0 HA SER A 66 8.254 -8.931 9.536 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.580 -8.096 12.154 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.484 -9.747 11.573 1.00 0.00 H new ATOM 0 HG SER A 66 11.488 -8.726 10.990 1.00 0.00 H new ATOM 1022 N ASP A 67 6.147 -7.748 11.497 1.00 0.00 N ATOM 1023 CA ASP A 67 4.867 -8.007 12.147 1.00 0.00 C ATOM 1024 C ASP A 67 3.779 -8.239 11.107 1.00 0.00 C ATOM 1025 O ASP A 67 2.643 -8.581 11.442 1.00 0.00 O ATOM 1026 CB ASP A 67 4.473 -6.858 13.080 1.00 0.00 C ATOM 1027 CG ASP A 67 5.109 -6.985 14.449 1.00 0.00 C ATOM 1028 OD1 ASP A 67 4.857 -8.007 15.127 1.00 0.00 O ATOM 1029 OD2 ASP A 67 5.860 -6.071 14.855 1.00 0.00 O ATOM 0 H ASP A 67 6.308 -6.770 11.254 1.00 0.00 H new ATOM 0 HA ASP A 67 4.976 -8.908 12.751 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.769 -5.910 12.631 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.388 -6.835 13.186 1.00 0.00 H new ATOM 1034 N GLY A 68 4.133 -8.058 9.839 1.00 0.00 N ATOM 1035 CA GLY A 68 3.195 -8.323 8.765 1.00 0.00 C ATOM 1036 C GLY A 68 2.389 -7.105 8.374 1.00 0.00 C ATOM 1037 O GLY A 68 1.212 -7.218 8.025 1.00 0.00 O ATOM 0 H GLY A 68 5.051 -7.733 9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.741 -8.686 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.516 -9.119 9.071 1.00 0.00 H new ATOM 1041 N VAL A 69 3.009 -5.939 8.441 1.00 0.00 N ATOM 1042 CA VAL A 69 2.348 -4.700 8.052 1.00 0.00 C ATOM 1043 C VAL A 69 3.231 -3.912 7.094 1.00 0.00 C ATOM 1044 O VAL A 69 4.423 -3.729 7.347 1.00 0.00 O ATOM 1045 CB VAL A 69 2.029 -3.809 9.274 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.231 -2.581 8.861 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.286 -4.592 10.343 1.00 0.00 C ATOM 0 H VAL A 69 3.970 -5.822 8.761 1.00 0.00 H new ATOM 0 HA VAL A 69 1.412 -4.976 7.567 1.00 0.00 H new ATOM 0 HB VAL A 69 2.977 -3.474 9.695 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.020 -1.972 9.740 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.808 -1.997 8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.293 -2.894 8.403 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.075 -3.940 11.191 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.349 -4.969 9.933 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.900 -5.430 10.674 1.00 0.00 H new ATOM 1057 N ILE A 70 2.654 -3.457 5.997 1.00 0.00 N ATOM 1058 CA ILE A 70 3.387 -2.629 5.052 1.00 0.00 C ATOM 1059 C ILE A 70 2.960 -1.171 5.193 1.00 0.00 C ATOM 1060 O ILE A 70 1.767 -0.853 5.213 1.00 0.00 O ATOM 1061 CB ILE A 70 3.207 -3.107 3.589 1.00 0.00 C ATOM 1062 CG1 ILE A 70 4.017 -2.224 2.632 1.00 0.00 C ATOM 1063 CG2 ILE A 70 1.737 -3.130 3.191 1.00 0.00 C ATOM 1064 CD1 ILE A 70 3.956 -2.673 1.185 1.00 0.00 C ATOM 0 H ILE A 70 1.685 -3.644 5.738 1.00 0.00 H new ATOM 0 HA ILE A 70 4.447 -2.721 5.290 1.00 0.00 H new ATOM 0 HB ILE A 70 3.584 -4.128 3.520 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.651 -1.200 2.700 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.058 -2.213 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.645 -3.470 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.193 -3.810 3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.320 -2.127 3.281 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.553 -2.000 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.350 -3.686 1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.921 -2.657 0.842 1.00 0.00 H new ATOM 1076 N VAL A 71 3.940 -0.294 5.330 1.00 0.00 N ATOM 1077 CA VAL A 71 3.679 1.124 5.505 1.00 0.00 C ATOM 1078 C VAL A 71 4.297 1.911 4.360 1.00 0.00 C ATOM 1079 O VAL A 71 5.457 1.699 4.008 1.00 0.00 O ATOM 1080 CB VAL A 71 4.252 1.639 6.842 1.00 0.00 C ATOM 1081 CG1 VAL A 71 3.925 3.111 7.043 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.732 0.808 8.007 1.00 0.00 C ATOM 0 H VAL A 71 4.929 -0.542 5.323 1.00 0.00 H new ATOM 0 HA VAL A 71 2.598 1.265 5.513 1.00 0.00 H new ATOM 0 HB VAL A 71 5.337 1.536 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.340 3.450 7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.357 3.694 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.843 3.246 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.149 1.188 8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.644 0.872 8.043 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.030 -0.232 7.874 1.00 0.00 H new ATOM 1092 N LEU A 72 3.525 2.815 3.772 1.00 0.00 N ATOM 1093 CA LEU A 72 4.019 3.615 2.666 1.00 0.00 C ATOM 1094 C LEU A 72 3.507 5.038 2.742 1.00 0.00 C ATOM 1095 O LEU A 72 2.499 5.326 3.396 1.00 0.00 O ATOM 1096 CB LEU A 72 3.649 3.001 1.306 1.00 0.00 C ATOM 1097 CG LEU A 72 2.173 2.630 1.101 1.00 0.00 C ATOM 1098 CD1 LEU A 72 1.840 2.595 -0.385 1.00 0.00 C ATOM 1099 CD2 LEU A 72 1.859 1.276 1.730 1.00 0.00 C ATOM 0 H LEU A 72 2.561 3.010 4.042 1.00 0.00 H new ATOM 0 HA LEU A 72 5.106 3.628 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.936 3.705 0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.250 2.103 1.162 1.00 0.00 H new ATOM 0 HG LEU A 72 1.563 3.390 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.791 2.331 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.025 3.576 -0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.466 1.853 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.808 1.036 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.480 0.508 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.065 1.315 2.800 1.00 0.00 H new ATOM 1111 N LYS A 73 4.222 5.915 2.063 1.00 0.00 N ATOM 1112 CA LYS A 73 3.900 7.328 2.022 1.00 0.00 C ATOM 1113 C LYS A 73 3.821 7.789 0.578 1.00 0.00 C ATOM 1114 O LYS A 73 4.837 7.934 -0.103 1.00 0.00 O ATOM 1115 CB LYS A 73 4.959 8.136 2.766 1.00 0.00 C ATOM 1116 CG LYS A 73 5.118 7.734 4.226 1.00 0.00 C ATOM 1117 CD LYS A 73 6.421 8.247 4.821 1.00 0.00 C ATOM 1118 CE LYS A 73 7.622 7.609 4.143 1.00 0.00 C ATOM 1119 NZ LYS A 73 8.903 7.992 4.793 1.00 0.00 N ATOM 0 H LYS A 73 5.049 5.665 1.521 1.00 0.00 H new ATOM 0 HA LYS A 73 2.937 7.486 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.917 8.018 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.699 9.193 2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.279 8.123 4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.085 6.648 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.472 9.330 4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.446 8.032 5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.516 6.524 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.645 7.906 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.694 7.534 4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.019 9.025 4.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.893 7.686 5.787 1.00 0.00 H new ATOM 1133 N ALA A 74 2.609 7.999 0.125 1.00 0.00 N ATOM 1134 CA ALA A 74 2.354 8.346 -1.263 1.00 0.00 C ATOM 1135 C ALA A 74 2.360 9.855 -1.458 1.00 0.00 C ATOM 1136 O ALA A 74 1.405 10.543 -1.099 1.00 0.00 O ATOM 1137 CB ALA A 74 1.029 7.751 -1.725 1.00 0.00 C ATOM 0 H ALA A 74 1.770 7.936 0.701 1.00 0.00 H new ATOM 0 HA ALA A 74 3.155 7.925 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.853 8.020 -2.766 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.065 6.666 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.220 8.141 -1.108 1.00 0.00 H new ATOM 1143 N GLN A 75 3.454 10.360 -2.004 1.00 0.00 N ATOM 1144 CA GLN A 75 3.576 11.772 -2.329 1.00 0.00 C ATOM 1145 C GLN A 75 4.152 11.944 -3.731 1.00 0.00 C ATOM 1146 O GLN A 75 4.746 12.969 -4.056 1.00 0.00 O ATOM 1147 CB GLN A 75 4.449 12.492 -1.287 1.00 0.00 C ATOM 1148 CG GLN A 75 5.606 11.666 -0.729 1.00 0.00 C ATOM 1149 CD GLN A 75 6.572 11.169 -1.788 1.00 0.00 C ATOM 1150 OE1 GLN A 75 6.422 10.068 -2.318 1.00 0.00 O ATOM 1151 NE2 GLN A 75 7.561 11.984 -2.115 1.00 0.00 N ATOM 0 H GLN A 75 4.279 9.806 -2.234 1.00 0.00 H new ATOM 0 HA GLN A 75 2.583 12.222 -2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.854 13.398 -1.739 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.814 12.806 -0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.154 12.269 -0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.201 10.810 -0.189 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.651 12.889 -1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 75 8.234 11.708 -2.830 1.00 0.00 H new ATOM 1160 N GLN A 76 3.946 10.931 -4.565 1.00 0.00 N ATOM 1161 CA GLN A 76 4.494 10.909 -5.906 1.00 0.00 C ATOM 1162 C GLN A 76 3.774 11.885 -6.830 1.00 0.00 C ATOM 1163 O GLN A 76 4.415 12.598 -7.606 1.00 0.00 O ATOM 1164 CB GLN A 76 4.420 9.490 -6.467 1.00 0.00 C ATOM 1165 CG GLN A 76 5.572 8.591 -6.031 1.00 0.00 C ATOM 1166 CD GLN A 76 6.881 8.885 -6.758 1.00 0.00 C ATOM 1167 OE1 GLN A 76 7.095 10.133 -7.145 1.00 0.00 O flip ATOM 1168 NE2 GLN A 76 7.701 7.991 -6.967 1.00 0.00 N flip ATOM 0 H GLN A 76 3.395 10.106 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 76 5.535 11.226 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.480 9.035 -6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.404 9.541 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.727 8.707 -4.958 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.296 7.551 -6.203 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.508 7.039 -6.657 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.574 8.202 -7.450 1.00 0.00 H new ATOM 1177 N TYR A 77 2.451 11.916 -6.755 1.00 0.00 N ATOM 1178 CA TYR A 77 1.670 12.809 -7.595 1.00 0.00 C ATOM 1179 C TYR A 77 1.420 14.126 -6.865 1.00 0.00 C ATOM 1180 O TYR A 77 1.759 14.270 -5.689 1.00 0.00 O ATOM 1181 CB TYR A 77 0.346 12.152 -8.010 1.00 0.00 C ATOM 1182 CG TYR A 77 -0.189 12.661 -9.336 1.00 0.00 C ATOM 1183 CD1 TYR A 77 0.211 12.081 -10.534 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -1.080 13.724 -9.392 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -0.255 12.552 -11.746 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -1.551 14.198 -10.596 1.00 0.00 C ATOM 1187 CZ TYR A 77 -1.141 13.610 -11.771 1.00 0.00 C ATOM 1188 OH TYR A 77 -1.602 14.093 -12.974 1.00 0.00 O ATOM 0 H TYR A 77 1.899 11.335 -6.124 1.00 0.00 H new ATOM 0 HA TYR A 77 2.235 13.017 -8.504 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.488 11.073 -8.074 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.398 12.330 -7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.898 11.248 -10.517 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.410 14.188 -8.474 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.072 12.095 -12.668 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -2.240 15.029 -10.618 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.218 14.838 -12.813 1.00 0.00 H new ATOM 1198 N ARG A 78 0.817 15.075 -7.566 1.00 0.00 N ATOM 1199 CA ARG A 78 0.680 16.440 -7.085 1.00 0.00 C ATOM 1200 C ARG A 78 -0.387 16.577 -5.996 1.00 0.00 C ATOM 1201 O ARG A 78 -0.253 17.414 -5.104 1.00 0.00 O ATOM 1202 CB ARG A 78 0.351 17.357 -8.263 1.00 0.00 C ATOM 1203 CG ARG A 78 0.524 18.834 -7.961 1.00 0.00 C ATOM 1204 CD ARG A 78 1.913 19.114 -7.415 1.00 0.00 C ATOM 1205 NE ARG A 78 2.239 20.537 -7.439 1.00 0.00 N ATOM 1206 CZ ARG A 78 2.274 21.314 -6.357 1.00 0.00 C ATOM 1207 NH1 ARG A 78 1.910 20.826 -5.175 1.00 0.00 N ATOM 1208 NH2 ARG A 78 2.659 22.582 -6.458 1.00 0.00 N ATOM 0 H ARG A 78 0.408 14.918 -8.487 1.00 0.00 H new ATOM 0 HA ARG A 78 1.629 16.729 -6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.989 17.092 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.678 17.178 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.361 19.417 -8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.227 19.152 -7.238 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.980 18.745 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.649 18.564 -8.001 1.00 0.00 H new ATOM 0 HE ARG A 78 2.453 20.963 -8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.604 19.856 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.937 21.421 -4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.929 22.962 -7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.685 23.175 -5.628 1.00 0.00 H new ATOM 1222 N THR A 79 -1.439 15.771 -6.066 1.00 0.00 N ATOM 1223 CA THR A 79 -2.549 15.892 -5.122 1.00 0.00 C ATOM 1224 C THR A 79 -2.844 14.579 -4.394 1.00 0.00 C ATOM 1225 O THR A 79 -2.411 13.507 -4.823 1.00 0.00 O ATOM 1226 CB THR A 79 -3.829 16.373 -5.829 1.00 0.00 C ATOM 1227 OG1 THR A 79 -4.004 15.661 -7.061 1.00 0.00 O ATOM 1228 CG2 THR A 79 -3.780 17.870 -6.093 1.00 0.00 C ATOM 0 H THR A 79 -1.549 15.031 -6.760 1.00 0.00 H new ATOM 0 HA THR A 79 -2.238 16.630 -4.383 1.00 0.00 H new ATOM 0 HB THR A 79 -4.677 16.173 -5.173 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.821 15.971 -7.505 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.697 18.181 -6.593 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.683 18.403 -5.147 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.924 18.100 -6.728 1.00 0.00 H new ATOM 1236 N GLN A 80 -3.602 14.683 -3.297 1.00 0.00 N ATOM 1237 CA GLN A 80 -3.949 13.530 -2.464 1.00 0.00 C ATOM 1238 C GLN A 80 -4.796 12.525 -3.230 1.00 0.00 C ATOM 1239 O GLN A 80 -4.441 11.356 -3.332 1.00 0.00 O ATOM 1240 CB GLN A 80 -4.731 13.969 -1.225 1.00 0.00 C ATOM 1241 CG GLN A 80 -3.955 14.846 -0.260 1.00 0.00 C ATOM 1242 CD GLN A 80 -4.787 15.232 0.948 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -4.811 14.524 1.956 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -5.485 16.353 0.852 1.00 0.00 N ATOM 0 H GLN A 80 -3.990 15.566 -2.964 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.010 13.062 -2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.622 14.508 -1.547 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.071 13.080 -0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -3.059 14.319 0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -3.623 15.747 -0.775 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.438 16.912 -0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.070 16.658 1.630 1.00 0.00 H new ATOM 1253 N GLU A 81 -5.922 12.993 -3.757 1.00 0.00 N ATOM 1254 CA GLU A 81 -6.893 12.125 -4.416 1.00 0.00 C ATOM 1255 C GLU A 81 -6.252 11.316 -5.545 1.00 0.00 C ATOM 1256 O GLU A 81 -6.629 10.169 -5.794 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.050 12.967 -4.949 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.222 12.153 -5.465 1.00 0.00 C ATOM 1259 CD GLU A 81 -10.411 13.023 -5.800 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -10.456 13.575 -6.923 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -11.292 13.188 -4.933 1.00 0.00 O ATOM 0 H GLU A 81 -6.187 13.978 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.270 11.413 -3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.401 13.627 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.682 13.604 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.916 11.599 -6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.511 11.417 -4.714 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.278 11.907 -6.220 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.574 11.209 -7.282 1.00 0.00 C ATOM 1270 C GLN A 82 -3.581 10.203 -6.702 1.00 0.00 C ATOM 1271 O GLN A 82 -3.461 9.089 -7.207 1.00 0.00 O ATOM 1272 CB GLN A 82 -3.878 12.203 -8.205 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.850 13.146 -8.896 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.889 12.409 -9.720 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -6.945 12.016 -9.216 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -5.610 12.241 -10.998 1.00 0.00 N ATOM 0 H GLN A 82 -4.960 12.861 -6.052 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.302 10.654 -7.874 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.161 12.787 -7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.311 11.656 -8.959 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.352 13.758 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.294 13.826 -9.542 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -4.726 12.581 -11.376 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.279 11.771 -11.609 1.00 0.00 H new ATOM 1285 N ASN A 83 -2.898 10.592 -5.627 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.007 9.677 -4.911 1.00 0.00 C ATOM 1287 C ASN A 83 -2.795 8.509 -4.336 1.00 0.00 C ATOM 1288 O ASN A 83 -2.270 7.413 -4.183 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.257 10.404 -3.785 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.006 11.106 -4.274 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.667 10.636 -5.188 1.00 0.00 O ATOM 1292 ND2 ASN A 83 0.322 12.236 -3.664 1.00 0.00 N ATOM 0 H ASN A 83 -2.943 11.531 -5.232 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.275 9.298 -5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -1.922 11.134 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.987 9.686 -3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.158 12.746 -3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.261 12.596 -2.909 1.00 0.00 H new ATOM 1299 N ARG A 84 -4.058 8.760 -4.018 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.967 7.728 -3.534 1.00 0.00 C ATOM 1301 C ARG A 84 -5.073 6.595 -4.548 1.00 0.00 C ATOM 1302 O ARG A 84 -4.834 5.432 -4.228 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.349 8.333 -3.293 1.00 0.00 C ATOM 1304 CG ARG A 84 -7.304 7.445 -2.513 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.692 8.062 -2.450 1.00 0.00 C ATOM 1306 NE ARG A 84 -9.578 7.339 -1.541 1.00 0.00 N ATOM 1307 CZ ARG A 84 -10.783 6.879 -1.878 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -11.243 7.024 -3.115 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -11.531 6.271 -0.963 1.00 0.00 N ATOM 0 H ARG A 84 -4.482 9.685 -4.088 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.576 7.326 -2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.230 9.274 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.800 8.570 -4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.359 6.463 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.923 7.294 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.612 9.100 -2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.129 8.072 -3.449 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.254 7.176 -0.588 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.673 7.492 -3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.167 6.668 -3.361 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.182 6.159 -0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.454 5.916 -1.213 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.427 6.953 -5.777 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.578 5.977 -6.848 1.00 0.00 C ATOM 1325 C ALA A 85 -4.224 5.413 -7.267 1.00 0.00 C ATOM 1326 O ALA A 85 -4.112 4.239 -7.623 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.286 6.611 -8.034 1.00 0.00 C ATOM 0 H ALA A 85 -5.615 7.916 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.184 5.150 -6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.394 5.874 -8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.272 6.960 -7.726 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.700 7.455 -8.399 1.00 0.00 H new ATOM 1333 N ASP A 86 -3.206 6.259 -7.215 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.848 5.861 -7.569 1.00 0.00 C ATOM 1335 C ASP A 86 -1.327 4.797 -6.610 1.00 0.00 C ATOM 1336 O ASP A 86 -0.885 3.727 -7.029 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.922 7.074 -7.528 1.00 0.00 C ATOM 1338 CG ASP A 86 0.497 6.740 -7.943 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.298 6.332 -7.074 1.00 0.00 O ATOM 1340 OD2 ASP A 86 0.821 6.892 -9.141 1.00 0.00 O ATOM 0 H ASP A 86 -3.294 7.234 -6.929 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.868 5.447 -8.577 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.316 7.849 -8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.914 7.486 -6.519 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.400 5.103 -5.321 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.920 4.206 -4.280 1.00 0.00 C ATOM 1347 C ALA A 87 -1.608 2.848 -4.353 1.00 0.00 C ATOM 1348 O ALA A 87 -0.957 1.814 -4.259 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.124 4.827 -2.909 1.00 0.00 C ATOM 0 H ALA A 87 -1.792 5.977 -4.970 1.00 0.00 H new ATOM 0 HA ALA A 87 0.146 4.050 -4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.760 4.143 -2.142 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.573 5.766 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.185 5.018 -2.750 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.925 2.858 -4.533 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.689 1.620 -4.624 1.00 0.00 C ATOM 1357 C LEU A 88 -3.246 0.791 -5.828 1.00 0.00 C ATOM 1358 O LEU A 88 -3.189 -0.437 -5.763 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.187 1.920 -4.709 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.797 2.568 -3.461 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.274 2.856 -3.678 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.603 1.673 -2.247 1.00 0.00 C ATOM 0 H LEU A 88 -3.483 3.707 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.499 1.039 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.361 2.577 -5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.716 0.989 -4.910 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.284 3.513 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.691 3.316 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.392 3.535 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.800 1.924 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.042 2.149 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.090 0.713 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.538 1.514 -2.078 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.918 1.473 -6.921 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.472 0.804 -8.135 1.00 0.00 C ATOM 1376 C LEU A 89 -1.081 0.212 -7.942 1.00 0.00 C ATOM 1377 O LEU A 89 -0.817 -0.925 -8.326 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.464 1.786 -9.308 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.100 1.178 -10.661 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -3.124 0.126 -11.063 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -2.002 2.263 -11.718 1.00 0.00 C ATOM 0 H LEU A 89 -2.953 2.490 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.167 -0.006 -8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.451 2.242 -9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.759 2.587 -9.086 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.127 0.693 -10.575 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.850 -0.298 -12.029 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.147 -0.665 -10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.109 0.586 -11.135 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.742 1.814 -12.677 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.961 2.774 -11.805 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.233 2.981 -11.433 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.195 0.987 -7.333 1.00 0.00 N ATOM 1394 CA ARG A 90 1.164 0.532 -7.079 1.00 0.00 C ATOM 1395 C ARG A 90 1.201 -0.549 -6.001 1.00 0.00 C ATOM 1396 O ARG A 90 2.075 -1.417 -6.019 1.00 0.00 O ATOM 1397 CB ARG A 90 2.060 1.711 -6.695 1.00 0.00 C ATOM 1398 CG ARG A 90 2.515 2.532 -7.893 1.00 0.00 C ATOM 1399 CD ARG A 90 3.332 3.746 -7.476 1.00 0.00 C ATOM 1400 NE ARG A 90 4.179 4.230 -8.568 1.00 0.00 N ATOM 1401 CZ ARG A 90 4.337 5.513 -8.889 1.00 0.00 C ATOM 1402 NH1 ARG A 90 3.614 6.447 -8.289 1.00 0.00 N ATOM 1403 NH2 ARG A 90 5.194 5.856 -9.842 1.00 0.00 N ATOM 0 H ARG A 90 -0.393 1.933 -7.006 1.00 0.00 H new ATOM 0 HA ARG A 90 1.545 0.090 -8.000 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.522 2.358 -6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.936 1.336 -6.165 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.110 1.905 -8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.644 2.859 -8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.661 4.543 -7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.955 3.489 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 90 4.683 3.537 -9.121 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.932 6.185 -7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.739 7.428 -8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.731 5.138 -10.328 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.316 6.838 -10.089 1.00 0.00 H new ATOM 1417 N LEU A 91 0.249 -0.495 -5.074 1.00 0.00 N ATOM 1418 CA LEU A 91 0.157 -1.481 -4.001 1.00 0.00 C ATOM 1419 C LEU A 91 -0.248 -2.838 -4.554 1.00 0.00 C ATOM 1420 O LEU A 91 0.405 -3.851 -4.291 1.00 0.00 O ATOM 1421 CB LEU A 91 -0.863 -1.037 -2.954 1.00 0.00 C ATOM 1422 CG LEU A 91 -0.939 -1.911 -1.701 1.00 0.00 C ATOM 1423 CD1 LEU A 91 0.388 -1.891 -0.953 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -2.075 -1.453 -0.798 1.00 0.00 C ATOM 0 H LEU A 91 -0.473 0.225 -5.044 1.00 0.00 H new ATOM 0 HA LEU A 91 1.139 -1.564 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.627 -0.017 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.848 -1.012 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.141 -2.937 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.314 -2.518 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.177 -2.271 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.623 -0.869 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.113 -2.087 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.907 -0.419 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.020 -1.525 -1.337 1.00 0.00 H new ATOM 1436 N SER A 92 -1.325 -2.846 -5.321 1.00 0.00 N ATOM 1437 CA SER A 92 -1.831 -4.070 -5.923 1.00 0.00 C ATOM 1438 C SER A 92 -0.786 -4.696 -6.841 1.00 0.00 C ATOM 1439 O SER A 92 -0.548 -5.904 -6.796 1.00 0.00 O ATOM 1440 CB SER A 92 -3.128 -3.787 -6.686 1.00 0.00 C ATOM 1441 OG SER A 92 -3.011 -2.627 -7.491 1.00 0.00 O ATOM 0 H SER A 92 -1.870 -2.013 -5.543 1.00 0.00 H new ATOM 0 HA SER A 92 -2.046 -4.784 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.377 -4.643 -7.313 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.948 -3.660 -5.979 1.00 0.00 H new ATOM 0 HG SER A 92 -3.196 -1.832 -6.948 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.149 -3.856 -7.648 1.00 0.00 N ATOM 1448 CA GLU A 93 0.930 -4.294 -8.523 1.00 0.00 C ATOM 1449 C GLU A 93 2.082 -4.889 -7.719 1.00 0.00 C ATOM 1450 O GLU A 93 2.661 -5.892 -8.115 1.00 0.00 O ATOM 1451 CB GLU A 93 1.429 -3.127 -9.374 1.00 0.00 C ATOM 1452 CG GLU A 93 0.635 -2.924 -10.653 1.00 0.00 C ATOM 1453 CD GLU A 93 0.824 -4.062 -11.639 1.00 0.00 C ATOM 1454 OE1 GLU A 93 1.831 -4.050 -12.380 1.00 0.00 O ATOM 1455 OE2 GLU A 93 -0.031 -4.972 -11.677 1.00 0.00 O ATOM 0 H GLU A 93 -0.364 -2.861 -7.714 1.00 0.00 H new ATOM 0 HA GLU A 93 0.538 -5.070 -9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.388 -2.213 -8.782 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.475 -3.295 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.423 -2.830 -10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.939 -1.987 -11.121 1.00 0.00 H new ATOM 1462 N LEU A 94 2.395 -4.278 -6.582 1.00 0.00 N ATOM 1463 CA LEU A 94 3.499 -4.736 -5.740 1.00 0.00 C ATOM 1464 C LEU A 94 3.262 -6.178 -5.303 1.00 0.00 C ATOM 1465 O LEU A 94 4.155 -7.017 -5.394 1.00 0.00 O ATOM 1466 CB LEU A 94 3.652 -3.809 -4.522 1.00 0.00 C ATOM 1467 CG LEU A 94 4.944 -3.960 -3.703 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.182 -2.715 -2.864 1.00 0.00 C ATOM 1469 CD2 LEU A 94 4.891 -5.181 -2.794 1.00 0.00 C ATOM 0 H LEU A 94 1.900 -3.463 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 94 4.425 -4.702 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.586 -2.777 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.805 -3.977 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 94 5.766 -4.092 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.100 -2.834 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.274 -1.848 -3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.343 -2.569 -2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.821 -5.256 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.054 -5.083 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.760 -6.079 -3.398 1.00 0.00 H new ATOM 1481 N ILE A 95 2.047 -6.461 -4.851 1.00 0.00 N ATOM 1482 CA ILE A 95 1.689 -7.796 -4.387 1.00 0.00 C ATOM 1483 C ILE A 95 1.842 -8.826 -5.507 1.00 0.00 C ATOM 1484 O ILE A 95 2.428 -9.892 -5.315 1.00 0.00 O ATOM 1485 CB ILE A 95 0.240 -7.833 -3.857 1.00 0.00 C ATOM 1486 CG1 ILE A 95 0.058 -6.815 -2.724 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -0.121 -9.234 -3.373 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.367 -6.712 -2.219 1.00 0.00 C ATOM 0 H ILE A 95 1.289 -5.780 -4.796 1.00 0.00 H new ATOM 0 HA ILE A 95 2.371 -8.047 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.430 -7.568 -4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.709 -7.089 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.382 -5.835 -3.073 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.146 -9.238 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.030 -9.939 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.555 -9.527 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.417 -5.973 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.021 -6.408 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.689 -7.681 -1.838 1.00 0.00 H new ATOM 1500 N VAL A 96 1.332 -8.490 -6.686 1.00 0.00 N ATOM 1501 CA VAL A 96 1.353 -9.409 -7.818 1.00 0.00 C ATOM 1502 C VAL A 96 2.764 -9.542 -8.392 1.00 0.00 C ATOM 1503 O VAL A 96 3.176 -10.622 -8.815 1.00 0.00 O ATOM 1504 CB VAL A 96 0.376 -8.955 -8.926 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.272 -10.007 -10.020 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -0.995 -8.663 -8.340 1.00 0.00 C ATOM 0 H VAL A 96 0.899 -7.588 -6.883 1.00 0.00 H new ATOM 0 HA VAL A 96 1.031 -10.383 -7.450 1.00 0.00 H new ATOM 0 HB VAL A 96 0.767 -8.039 -9.369 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.421 -9.665 -10.789 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.254 -10.169 -10.463 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.092 -10.941 -9.593 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.670 -8.345 -9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.389 -9.564 -7.869 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.911 -7.871 -7.596 1.00 0.00 H new ATOM 1516 N ASN A 97 3.508 -8.445 -8.388 1.00 0.00 N ATOM 1517 CA ASN A 97 4.875 -8.443 -8.883 1.00 0.00 C ATOM 1518 C ASN A 97 5.793 -9.240 -7.966 1.00 0.00 C ATOM 1519 O ASN A 97 6.737 -9.881 -8.426 1.00 0.00 O ATOM 1520 CB ASN A 97 5.382 -7.009 -9.015 1.00 0.00 C ATOM 1521 CG ASN A 97 4.913 -6.337 -10.289 1.00 0.00 C ATOM 1522 OD1 ASN A 97 4.726 -6.985 -11.316 1.00 0.00 O ATOM 1523 ND2 ASN A 97 4.729 -5.028 -10.230 1.00 0.00 N ATOM 0 H ASN A 97 3.184 -7.541 -8.045 1.00 0.00 H new ATOM 0 HA ASN A 97 4.881 -8.918 -9.864 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.043 -6.428 -8.157 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.472 -7.010 -8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.420 -4.519 -11.058 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.896 -4.528 -9.357 1.00 0.00 H new ATOM 1530 N ALA A 98 5.503 -9.206 -6.671 1.00 0.00 N ATOM 1531 CA ALA A 98 6.288 -9.941 -5.685 1.00 0.00 C ATOM 1532 C ALA A 98 6.140 -11.447 -5.873 1.00 0.00 C ATOM 1533 O ALA A 98 7.014 -12.223 -5.486 1.00 0.00 O ATOM 1534 CB ALA A 98 5.875 -9.541 -4.279 1.00 0.00 C ATOM 0 H ALA A 98 4.726 -8.675 -6.277 1.00 0.00 H new ATOM 0 HA ALA A 98 7.338 -9.686 -5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.469 -10.097 -3.553 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.041 -8.473 -4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.819 -9.766 -4.132 1.00 0.00 H new ATOM 1540 N ALA A 99 5.041 -11.852 -6.490 1.00 0.00 N ATOM 1541 CA ALA A 99 4.781 -13.261 -6.738 1.00 0.00 C ATOM 1542 C ALA A 99 5.760 -13.828 -7.762 1.00 0.00 C ATOM 1543 O ALA A 99 6.034 -15.026 -7.774 1.00 0.00 O ATOM 1544 CB ALA A 99 3.347 -13.465 -7.198 1.00 0.00 C ATOM 0 H ALA A 99 4.313 -11.223 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 99 4.925 -13.801 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.170 -14.525 -7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.663 -13.110 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 99 3.177 -12.907 -8.119 1.00 0.00 H new ATOM 1550 N LYS A 100 6.307 -12.960 -8.605 1.00 0.00 N ATOM 1551 CA LYS A 100 7.255 -13.389 -9.627 1.00 0.00 C ATOM 1552 C LYS A 100 8.656 -13.536 -9.051 1.00 0.00 C ATOM 1553 O LYS A 100 9.546 -14.085 -9.698 1.00 0.00 O ATOM 1554 CB LYS A 100 7.292 -12.404 -10.800 1.00 0.00 C ATOM 1555 CG LYS A 100 6.177 -12.590 -11.819 1.00 0.00 C ATOM 1556 CD LYS A 100 4.836 -12.084 -11.315 1.00 0.00 C ATOM 1557 CE LYS A 100 3.775 -12.189 -12.396 1.00 0.00 C ATOM 1558 NZ LYS A 100 2.484 -11.590 -11.976 1.00 0.00 N ATOM 0 H LYS A 100 6.112 -11.959 -8.602 1.00 0.00 H new ATOM 0 HA LYS A 100 6.915 -14.359 -9.989 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.241 -11.389 -10.407 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.251 -12.501 -11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 100 6.438 -12.064 -12.738 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.091 -13.647 -12.070 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.530 -12.661 -10.442 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.932 -11.047 -10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.128 -11.690 -13.299 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.621 -13.238 -12.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.740 -11.860 -12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.233 -11.936 -11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 2.573 -10.554 -11.955 1.00 0.00 H new ATOM 1572 N LEU A 101 8.851 -13.044 -7.839 1.00 0.00 N ATOM 1573 CA LEU A 101 10.162 -13.044 -7.227 1.00 0.00 C ATOM 1574 C LEU A 101 10.476 -14.398 -6.599 1.00 0.00 C ATOM 1575 O LEU A 101 9.954 -14.745 -5.539 1.00 0.00 O ATOM 1576 CB LEU A 101 10.238 -11.938 -6.173 1.00 0.00 C ATOM 1577 CG LEU A 101 9.977 -10.518 -6.686 1.00 0.00 C ATOM 1578 CD1 LEU A 101 10.064 -9.515 -5.548 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.961 -10.157 -7.788 1.00 0.00 C ATOM 0 H LEU A 101 8.114 -12.639 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 101 10.905 -12.856 -8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.517 -12.160 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.227 -11.964 -5.715 1.00 0.00 H new ATOM 0 HG LEU A 101 8.969 -10.484 -7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.876 -8.512 -5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.320 -9.759 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.059 -9.553 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.759 -9.145 -8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.978 -10.210 -7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.852 -10.857 -8.617 1.00 0.00 H new ATOM 1591 N GLU A 102 11.315 -15.168 -7.275 1.00 0.00 N ATOM 1592 CA GLU A 102 11.789 -16.440 -6.746 1.00 0.00 C ATOM 1593 C GLU A 102 13.149 -16.259 -6.079 1.00 0.00 C ATOM 1594 O GLU A 102 13.453 -16.904 -5.078 1.00 0.00 O ATOM 1595 CB GLU A 102 11.895 -17.481 -7.860 1.00 0.00 C ATOM 1596 CG GLU A 102 12.698 -17.003 -9.059 1.00 0.00 C ATOM 1597 CD GLU A 102 13.259 -18.142 -9.872 1.00 0.00 C ATOM 1598 OE1 GLU A 102 12.478 -18.830 -10.563 1.00 0.00 O ATOM 1599 OE2 GLU A 102 14.488 -18.361 -9.821 1.00 0.00 O ATOM 0 H GLU A 102 11.684 -14.933 -8.196 1.00 0.00 H new ATOM 0 HA GLU A 102 11.070 -16.791 -6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.356 -18.384 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.892 -17.754 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.063 -16.386 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 102 13.516 -16.370 -8.715 1.00 0.00 H new ATOM 1606 N HIS A 103 13.961 -15.376 -6.655 1.00 0.00 N ATOM 1607 CA HIS A 103 15.292 -15.082 -6.133 1.00 0.00 C ATOM 1608 C HIS A 103 15.203 -14.353 -4.794 1.00 0.00 C ATOM 1609 O HIS A 103 15.092 -13.130 -4.740 1.00 0.00 O ATOM 1610 CB HIS A 103 16.128 -14.277 -7.153 1.00 0.00 C ATOM 1611 CG HIS A 103 15.461 -13.042 -7.718 1.00 0.00 C ATOM 1612 ND1 HIS A 103 14.251 -12.869 -8.307 1.00 0.00 N flip ATOM 1613 CD2 HIS A 103 16.073 -11.808 -7.761 1.00 0.00 C flip ATOM 1614 CE1 HIS A 103 14.157 -11.554 -8.689 1.00 0.00 C flip ATOM 1615 NE2 HIS A 103 15.270 -10.937 -8.345 1.00 0.00 N flip ATOM 0 H HIS A 103 13.716 -14.847 -7.492 1.00 0.00 H new ATOM 0 HA HIS A 103 15.803 -16.030 -5.965 1.00 0.00 H new ATOM 0 HB2 HIS A 103 17.061 -13.977 -6.675 1.00 0.00 H new ATOM 0 HB3 HIS A 103 16.391 -14.936 -7.980 1.00 0.00 H new ATOM 0 HD2 HIS A 103 17.058 -11.587 -7.376 1.00 0.00 H new ATOM 0 HE1 HIS A 103 13.313 -11.101 -9.188 1.00 0.00 H new ATOM 0 HE2 HIS A 103 15.477 -9.951 -8.503 1.00 0.00 H new ATOM 1624 N HIS A 104 15.226 -15.127 -3.717 1.00 0.00 N ATOM 1625 CA HIS A 104 15.099 -14.577 -2.376 1.00 0.00 C ATOM 1626 C HIS A 104 16.404 -14.690 -1.601 1.00 0.00 C ATOM 1627 O HIS A 104 16.778 -15.764 -1.141 1.00 0.00 O ATOM 1628 CB HIS A 104 13.968 -15.283 -1.614 1.00 0.00 C ATOM 1629 CG HIS A 104 13.912 -14.949 -0.150 1.00 0.00 C ATOM 1630 ND1 HIS A 104 14.358 -15.807 0.832 1.00 0.00 N ATOM 1631 CD2 HIS A 104 13.472 -13.842 0.493 1.00 0.00 C ATOM 1632 CE1 HIS A 104 14.196 -15.242 2.013 1.00 0.00 C ATOM 1633 NE2 HIS A 104 13.662 -14.049 1.837 1.00 0.00 N ATOM 0 H HIS A 104 15.332 -16.141 -3.747 1.00 0.00 H new ATOM 0 HA HIS A 104 14.857 -13.519 -2.473 1.00 0.00 H new ATOM 0 HB2 HIS A 104 13.015 -15.018 -2.073 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.087 -16.361 -1.725 1.00 0.00 H new ATOM 0 HD2 HIS A 104 13.050 -12.960 0.034 1.00 0.00 H new ATOM 0 HE1 HIS A 104 14.457 -15.682 2.964 1.00 0.00 H new ATOM 0 HE2 HIS A 104 13.428 -13.388 2.578 1.00 0.00 H new ATOM 1642 N HIS A 105 17.089 -13.566 -1.489 1.00 0.00 N ATOM 1643 CA HIS A 105 18.257 -13.411 -0.628 1.00 0.00 C ATOM 1644 C HIS A 105 18.337 -11.942 -0.250 1.00 0.00 C ATOM 1645 O HIS A 105 17.456 -11.171 -0.628 1.00 0.00 O ATOM 1646 CB HIS A 105 19.564 -13.830 -1.331 1.00 0.00 C ATOM 1647 CG HIS A 105 19.711 -15.305 -1.577 1.00 0.00 C ATOM 1648 ND1 HIS A 105 19.941 -15.836 -2.828 1.00 0.00 N ATOM 1649 CD2 HIS A 105 19.681 -16.361 -0.726 1.00 0.00 C ATOM 1650 CE1 HIS A 105 20.040 -17.148 -2.737 1.00 0.00 C ATOM 1651 NE2 HIS A 105 19.889 -17.495 -1.473 1.00 0.00 N ATOM 0 H HIS A 105 16.848 -12.718 -2.001 1.00 0.00 H new ATOM 0 HA HIS A 105 18.148 -14.056 0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.627 -13.310 -2.287 1.00 0.00 H new ATOM 0 HB3 HIS A 105 20.407 -13.492 -0.728 1.00 0.00 H new ATOM 0 HD2 HIS A 105 19.523 -16.318 0.341 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.215 -17.825 -3.560 1.00 0.00 H new ATOM 0 HE2 HIS A 105 19.921 -18.448 -1.110 1.00 0.00 H new ATOM 1660 N HIS A 106 19.368 -11.538 0.478 1.00 0.00 N ATOM 1661 CA HIS A 106 19.561 -10.120 0.735 1.00 0.00 C ATOM 1662 C HIS A 106 20.291 -9.487 -0.434 1.00 0.00 C ATOM 1663 O HIS A 106 21.524 -9.462 -0.483 1.00 0.00 O ATOM 1664 CB HIS A 106 20.300 -9.870 2.052 1.00 0.00 C ATOM 1665 CG HIS A 106 19.406 -9.945 3.252 1.00 0.00 C ATOM 1666 ND1 HIS A 106 19.673 -10.736 4.345 1.00 0.00 N ATOM 1667 CD2 HIS A 106 18.237 -9.318 3.520 1.00 0.00 C ATOM 1668 CE1 HIS A 106 18.701 -10.597 5.231 1.00 0.00 C ATOM 1669 NE2 HIS A 106 17.818 -9.741 4.755 1.00 0.00 N ATOM 0 H HIS A 106 20.067 -12.155 0.892 1.00 0.00 H new ATOM 0 HA HIS A 106 18.581 -9.655 0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 106 21.101 -10.602 2.157 1.00 0.00 H new ATOM 0 HB3 HIS A 106 20.769 -8.887 2.017 1.00 0.00 H new ATOM 0 HD2 HIS A 106 17.728 -8.614 2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 106 18.641 -11.100 6.185 1.00 0.00 H new ATOM 0 HE2 HIS A 106 16.965 -9.443 5.227 1.00 0.00 H new ATOM 1678 N HIS A 107 19.508 -9.009 -1.391 1.00 0.00 N ATOM 1679 CA HIS A 107 20.034 -8.492 -2.649 1.00 0.00 C ATOM 1680 C HIS A 107 20.723 -7.148 -2.425 1.00 0.00 C ATOM 1681 O HIS A 107 21.651 -6.786 -3.148 1.00 0.00 O ATOM 1682 CB HIS A 107 18.887 -8.356 -3.657 1.00 0.00 C ATOM 1683 CG HIS A 107 19.313 -8.234 -5.089 1.00 0.00 C ATOM 1684 ND1 HIS A 107 18.556 -7.582 -6.035 1.00 0.00 N ATOM 1685 CD2 HIS A 107 20.394 -8.723 -5.747 1.00 0.00 C ATOM 1686 CE1 HIS A 107 19.144 -7.676 -7.213 1.00 0.00 C ATOM 1687 NE2 HIS A 107 20.259 -8.361 -7.064 1.00 0.00 N ATOM 0 H HIS A 107 18.491 -8.968 -1.319 1.00 0.00 H new ATOM 0 HA HIS A 107 20.776 -9.185 -3.046 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.234 -9.223 -3.561 1.00 0.00 H new ATOM 0 HB3 HIS A 107 18.294 -7.480 -3.394 1.00 0.00 H new ATOM 0 HD2 HIS A 107 21.206 -9.289 -5.316 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.774 -7.262 -8.140 1.00 0.00 H new ATOM 0 HE2 HIS A 107 20.918 -8.587 -7.809 1.00 0.00 H new ATOM 1696 N HIS A 108 20.255 -6.425 -1.416 1.00 0.00 N ATOM 1697 CA HIS A 108 20.849 -5.161 -1.003 1.00 0.00 C ATOM 1698 C HIS A 108 20.169 -4.689 0.265 1.00 0.00 C ATOM 1699 O HIS A 108 19.134 -5.288 0.620 1.00 0.00 O ATOM 1700 CB HIS A 108 20.745 -4.084 -2.093 1.00 0.00 C ATOM 1701 CG HIS A 108 19.348 -3.758 -2.530 1.00 0.00 C ATOM 1702 ND1 HIS A 108 18.520 -2.898 -1.843 1.00 0.00 N ATOM 1703 CD2 HIS A 108 18.646 -4.161 -3.616 1.00 0.00 C ATOM 1704 CE1 HIS A 108 17.373 -2.788 -2.485 1.00 0.00 C ATOM 1705 NE2 HIS A 108 17.422 -3.543 -3.566 1.00 0.00 N ATOM 1706 OXT HIS A 108 20.662 -3.729 0.895 1.00 0.00 O ATOM 0 H HIS A 108 19.447 -6.701 -0.858 1.00 0.00 H new ATOM 0 HA HIS A 108 21.911 -5.328 -0.824 1.00 0.00 H new ATOM 0 HB2 HIS A 108 21.218 -3.172 -1.728 1.00 0.00 H new ATOM 0 HB3 HIS A 108 21.314 -4.412 -2.963 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.987 -4.843 -4.381 1.00 0.00 H new ATOM 0 HE1 HIS A 108 16.534 -2.181 -2.177 1.00 0.00 H new ATOM 0 HE2 HIS A 108 16.674 -3.650 -4.251 1.00 0.00 H new TER 1715 HIS A 108