USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 533 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 86 ASN :FLIP amide:sc= -2.15 F(o=-8,f=-6.1) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -3.92! K(o=-6.1!,f=-8.5) USER MOD Set 2.1: A 19 HIS : no HD1:sc= -11! C(o=-12!,f=-12!) USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= -1.38 USER MOD Set 3.1: A 32 THR OG1 : rot 3:sc= 1.77 USER MOD Set 3.2: A 89 GLN : amide:sc= -5.72! C(o=-4!,f=-7.5!) USER MOD Set 4.1: A 10 MET CE :methyl 175:sc= -5.3 (180deg=-5.03) USER MOD Set 4.2: A 70 MET CE :methyl -130:sc= -2.22 (180deg=-4.12!) USER MOD Set 5.1: A 6 THR OG1 : rot 180:sc= -0.0437 USER MOD Set 5.2: A 38 HIS :FLIP no HD1:sc= -1.3 F(o=-1.9!,f=-1.3) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 33:sc= -1.09 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.6 K(o=-2.6,f=-4.1!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.9) USER MOD Single : A 33 GLN : amide:sc= -2.59! C(o=-2.6!,f=-4.6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -5.27 K(o=-5.3,f=-12!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0924 X(o=-0.092,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0527 USER MOD Single : A 56 THR OG1 : rot -91:sc= -0.146 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot -99:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0411 USER MOD Single : A 67 SER OG : rot 150:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -1.87 K(o=-1.9,f=-5.8!) USER MOD Single : A 87 LYS NZ :NH3+ 152:sc= -0.108 (180deg=-0.561) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 3 0.799 -4.314 -7.775 1.00 0.00 N ATOM 32 CA LEU A 3 -0.073 -4.673 -6.653 1.00 0.00 C ATOM 33 C LEU A 3 -1.371 -5.332 -7.102 1.00 0.00 C ATOM 34 O LEU A 3 -2.121 -4.795 -7.917 1.00 0.00 O ATOM 35 CB LEU A 3 -0.356 -3.444 -5.781 1.00 0.00 C ATOM 36 CG LEU A 3 -1.403 -2.452 -6.312 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.168 -2.142 -7.782 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.817 -2.977 -6.090 1.00 0.00 C ATOM 0 HA LEU A 3 0.461 -5.415 -6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.681 -3.790 -4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.581 -2.906 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.295 -1.524 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.923 -1.438 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.178 -1.704 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.234 -3.062 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.538 -2.255 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.939 -3.926 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.987 -3.126 -5.024 1.00 0.00 H new ATOM 44 N ASN A 4 -1.606 -6.521 -6.569 1.00 0.00 N ATOM 45 CA ASN A 4 -2.787 -7.301 -6.903 1.00 0.00 C ATOM 46 C ASN A 4 -3.978 -6.946 -6.021 1.00 0.00 C ATOM 47 O ASN A 4 -3.849 -6.235 -5.020 1.00 0.00 O ATOM 48 CB ASN A 4 -2.477 -8.783 -6.747 1.00 0.00 C ATOM 49 CG ASN A 4 -1.468 -9.278 -7.764 1.00 0.00 C ATOM 50 OD1 ASN A 4 -0.291 -9.454 -7.452 1.00 0.00 O ATOM 51 ND2 ASN A 4 -1.926 -9.507 -8.989 1.00 0.00 N ATOM 0 H ASN A 4 -0.986 -6.971 -5.895 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.052 -7.070 -7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -2.095 -8.967 -5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.399 -9.356 -6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.294 -9.843 -9.715 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.910 -9.347 -9.204 1.00 0.00 H new ATOM 56 N ILE A 5 -5.139 -7.470 -6.401 1.00 0.00 N ATOM 57 CA ILE A 5 -6.369 -7.238 -5.659 1.00 0.00 C ATOM 58 C ILE A 5 -7.097 -8.550 -5.385 1.00 0.00 C ATOM 59 O ILE A 5 -6.932 -9.528 -6.115 1.00 0.00 O ATOM 60 CB ILE A 5 -7.329 -6.279 -6.403 1.00 0.00 C ATOM 61 CG1 ILE A 5 -6.908 -6.092 -7.870 1.00 0.00 C ATOM 62 CG2 ILE A 5 -7.387 -4.946 -5.680 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.762 -5.119 -8.071 1.00 0.00 C ATOM 0 H ILE A 5 -5.252 -8.062 -7.224 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.076 -6.774 -4.717 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.325 -6.722 -6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.623 -7.061 -8.280 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.769 -5.745 -8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.064 -4.275 -6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.748 -5.099 -4.663 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.391 -4.505 -5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.529 -5.046 -9.133 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.048 -4.137 -7.694 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.884 -5.474 -7.530 1.00 0.00 H new ATOM 67 N THR A 6 -7.906 -8.559 -4.333 1.00 0.00 N ATOM 68 CA THR A 6 -8.666 -9.747 -3.961 1.00 0.00 C ATOM 69 C THR A 6 -10.006 -9.355 -3.349 1.00 0.00 C ATOM 70 O THR A 6 -10.421 -9.903 -2.329 1.00 0.00 O ATOM 71 CB THR A 6 -7.868 -10.604 -2.976 1.00 0.00 C ATOM 72 OG1 THR A 6 -6.544 -10.799 -3.439 1.00 0.00 O ATOM 73 CG2 THR A 6 -8.478 -11.968 -2.741 1.00 0.00 C ATOM 0 H THR A 6 -8.053 -7.756 -3.721 1.00 0.00 H new ATOM 0 HA THR A 6 -8.853 -10.331 -4.862 1.00 0.00 H new ATOM 0 HB THR A 6 -7.880 -10.052 -2.036 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.050 -11.348 -2.795 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.863 -12.524 -2.033 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.483 -11.852 -2.336 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.527 -12.512 -3.684 1.00 0.00 H new ATOM 78 N SER A 7 -10.676 -8.398 -3.984 1.00 0.00 N ATOM 79 CA SER A 7 -11.971 -7.918 -3.514 1.00 0.00 C ATOM 80 C SER A 7 -12.925 -9.075 -3.233 1.00 0.00 C ATOM 81 O SER A 7 -13.321 -9.800 -4.146 1.00 0.00 O ATOM 82 CB SER A 7 -12.592 -6.982 -4.549 1.00 0.00 C ATOM 83 OG SER A 7 -12.673 -7.607 -5.819 1.00 0.00 O ATOM 0 H SER A 7 -10.341 -7.938 -4.830 1.00 0.00 H new ATOM 0 HA SER A 7 -11.806 -7.376 -2.583 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.588 -6.684 -4.223 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.996 -6.072 -4.625 1.00 0.00 H new ATOM 0 HG SER A 7 -12.819 -8.569 -5.701 1.00 0.00 H new ATOM 89 N LYS A 8 -13.290 -9.244 -1.967 1.00 0.00 N ATOM 90 CA LYS A 8 -14.196 -10.316 -1.572 1.00 0.00 C ATOM 91 C LYS A 8 -15.550 -10.186 -2.271 1.00 0.00 C ATOM 92 O LYS A 8 -16.136 -11.183 -2.692 1.00 0.00 O ATOM 93 CB LYS A 8 -14.379 -10.326 -0.048 1.00 0.00 C ATOM 94 CG LYS A 8 -15.475 -9.396 0.455 1.00 0.00 C ATOM 95 CD LYS A 8 -15.356 -9.149 1.952 1.00 0.00 C ATOM 96 CE LYS A 8 -16.475 -9.833 2.726 1.00 0.00 C ATOM 97 NZ LYS A 8 -17.318 -8.854 3.465 1.00 0.00 N ATOM 0 H LYS A 8 -12.973 -8.654 -1.198 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.750 -11.262 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.605 -11.343 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.436 -10.046 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.419 -8.446 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.451 -9.829 0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.392 -9.515 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.381 -8.077 2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.099 -10.401 2.036 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.046 -10.547 3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.068 -9.360 3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.728 -8.329 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.748 -8.188 2.792 1.00 0.00 H new ATOM 111 N GLN A 9 -16.047 -8.956 -2.386 1.00 0.00 N ATOM 112 CA GLN A 9 -17.336 -8.711 -3.027 1.00 0.00 C ATOM 113 C GLN A 9 -17.201 -7.745 -4.206 1.00 0.00 C ATOM 114 O GLN A 9 -17.028 -8.171 -5.348 1.00 0.00 O ATOM 115 CB GLN A 9 -18.349 -8.175 -2.010 1.00 0.00 C ATOM 116 CG GLN A 9 -17.727 -7.336 -0.903 1.00 0.00 C ATOM 117 CD GLN A 9 -18.692 -6.313 -0.339 1.00 0.00 C ATOM 118 OE1 GLN A 9 -18.842 -5.219 -0.882 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.353 -6.664 0.759 1.00 0.00 N ATOM 0 H GLN A 9 -15.578 -8.117 -2.045 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.698 -9.663 -3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -19.092 -7.574 -2.534 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.878 -9.016 -1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.388 -7.992 -0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -16.846 -6.825 -1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.198 -7.582 1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.016 -6.016 1.185 1.00 0.00 H new ATOM 126 N MET A 10 -17.291 -6.443 -3.931 1.00 0.00 N ATOM 127 CA MET A 10 -17.186 -5.429 -4.977 1.00 0.00 C ATOM 128 C MET A 10 -15.949 -5.644 -5.833 1.00 0.00 C ATOM 129 O MET A 10 -14.829 -5.386 -5.398 1.00 0.00 O ATOM 130 CB MET A 10 -17.146 -4.029 -4.369 1.00 0.00 C ATOM 131 CG MET A 10 -16.082 -3.854 -3.298 1.00 0.00 C ATOM 132 SD MET A 10 -15.158 -2.316 -3.472 1.00 0.00 S ATOM 133 CE MET A 10 -14.619 -2.068 -1.784 1.00 0.00 C ATOM 0 H MET A 10 -17.436 -6.068 -2.994 1.00 0.00 H new ATOM 0 HA MET A 10 -18.069 -5.522 -5.610 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.971 -3.303 -5.163 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.122 -3.802 -3.939 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.554 -3.879 -2.316 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.390 -4.695 -3.340 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.958 -1.202 -1.736 1.00 0.00 H new ATOM 0 HE2 MET A 10 -15.486 -1.898 -1.146 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.083 -2.953 -1.439 1.00 0.00 H new ATOM 143 N ASP A 11 -16.157 -6.112 -7.058 1.00 0.00 N ATOM 144 CA ASP A 11 -15.049 -6.352 -7.969 1.00 0.00 C ATOM 145 C ASP A 11 -14.212 -5.090 -8.139 1.00 0.00 C ATOM 146 O ASP A 11 -14.496 -4.060 -7.527 1.00 0.00 O ATOM 147 CB ASP A 11 -15.567 -6.829 -9.327 1.00 0.00 C ATOM 148 CG ASP A 11 -16.548 -7.978 -9.200 1.00 0.00 C ATOM 149 OD1 ASP A 11 -16.100 -9.145 -9.215 1.00 0.00 O ATOM 150 OD2 ASP A 11 -17.763 -7.712 -9.086 1.00 0.00 O ATOM 0 H ASP A 11 -17.077 -6.331 -7.440 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.418 -7.132 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.050 -5.998 -9.841 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.725 -7.140 -9.945 1.00 0.00 H new ATOM 155 N ILE A 12 -13.179 -5.169 -8.971 1.00 0.00 N ATOM 156 CA ILE A 12 -12.314 -4.019 -9.206 1.00 0.00 C ATOM 157 C ILE A 12 -12.637 -3.349 -10.534 1.00 0.00 C ATOM 158 O ILE A 12 -13.073 -3.997 -11.485 1.00 0.00 O ATOM 159 CB ILE A 12 -10.806 -4.379 -9.178 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.588 -5.896 -9.112 1.00 0.00 C ATOM 161 CG2 ILE A 12 -10.118 -3.695 -8.002 1.00 0.00 C ATOM 162 CD1 ILE A 12 -11.037 -6.521 -7.807 1.00 0.00 C ATOM 0 H ILE A 12 -12.922 -6.009 -9.489 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.512 -3.331 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.364 -4.020 -10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.126 -6.367 -9.934 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.529 -6.109 -9.261 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.060 -3.958 -7.996 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.223 -2.614 -8.098 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.578 -4.023 -7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.851 -7.595 -7.835 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.481 -6.078 -6.981 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.103 -6.341 -7.665 1.00 0.00 H new ATOM 166 N THR A 13 -12.414 -2.044 -10.581 1.00 0.00 N ATOM 167 CA THR A 13 -12.668 -1.256 -11.775 1.00 0.00 C ATOM 168 C THR A 13 -11.621 -0.152 -11.908 1.00 0.00 C ATOM 169 O THR A 13 -10.818 0.057 -10.999 1.00 0.00 O ATOM 170 CB THR A 13 -14.071 -0.647 -11.713 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.541 -0.608 -10.378 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.092 -1.406 -12.534 1.00 0.00 C ATOM 0 H THR A 13 -12.053 -1.504 -9.795 1.00 0.00 H new ATOM 0 HA THR A 13 -12.605 -1.907 -12.647 1.00 0.00 H new ATOM 0 HB THR A 13 -13.968 0.356 -12.127 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.438 -0.214 -10.358 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.064 -0.921 -12.445 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.785 -1.414 -13.580 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.164 -2.431 -12.169 1.00 0.00 H new ATOM 177 N PRO A 14 -11.610 0.570 -13.042 1.00 0.00 N ATOM 178 CA PRO A 14 -10.650 1.651 -13.280 1.00 0.00 C ATOM 179 C PRO A 14 -10.428 2.531 -12.051 1.00 0.00 C ATOM 180 O PRO A 14 -9.297 2.901 -11.740 1.00 0.00 O ATOM 181 CB PRO A 14 -11.315 2.449 -14.394 1.00 0.00 C ATOM 182 CG PRO A 14 -12.069 1.430 -15.178 1.00 0.00 C ATOM 183 CD PRO A 14 -12.528 0.391 -14.186 1.00 0.00 C ATOM 0 HA PRO A 14 -9.658 1.272 -13.527 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.980 3.214 -13.993 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.577 2.960 -15.012 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.919 1.883 -15.689 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.437 0.983 -15.945 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.567 0.547 -13.894 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.461 -0.615 -14.600 1.00 0.00 H new ATOM 191 N ALA A 15 -11.512 2.866 -11.357 1.00 0.00 N ATOM 192 CA ALA A 15 -11.427 3.706 -10.166 1.00 0.00 C ATOM 193 C ALA A 15 -10.473 3.107 -9.136 1.00 0.00 C ATOM 194 O ALA A 15 -9.304 3.487 -9.071 1.00 0.00 O ATOM 195 CB ALA A 15 -12.808 3.914 -9.562 1.00 0.00 C ATOM 0 H ALA A 15 -12.458 2.569 -11.598 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.029 4.676 -10.465 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.726 4.542 -8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.455 4.400 -10.292 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.233 2.949 -9.285 1.00 0.00 H new ATOM 201 N ILE A 16 -10.968 2.163 -8.334 1.00 0.00 N ATOM 202 CA ILE A 16 -10.139 1.519 -7.322 1.00 0.00 C ATOM 203 C ILE A 16 -8.830 1.042 -7.934 1.00 0.00 C ATOM 204 O ILE A 16 -7.753 1.425 -7.485 1.00 0.00 O ATOM 205 CB ILE A 16 -10.846 0.318 -6.665 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.711 -0.435 -7.686 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.665 0.778 -5.470 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.199 -0.190 -7.552 1.00 0.00 C ATOM 0 H ILE A 16 -11.932 1.831 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.947 2.267 -6.553 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.089 -0.379 -6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.398 -0.148 -8.690 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.521 -1.504 -7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.159 -0.081 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.008 1.248 -4.738 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.416 1.497 -5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.732 -0.761 -8.312 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.532 -0.504 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.406 0.872 -7.684 1.00 0.00 H new ATOM 212 N ARG A 17 -8.933 0.219 -8.978 1.00 0.00 N ATOM 213 CA ARG A 17 -7.754 -0.299 -9.670 1.00 0.00 C ATOM 214 C ARG A 17 -6.699 0.799 -9.804 1.00 0.00 C ATOM 215 O ARG A 17 -5.569 0.660 -9.332 1.00 0.00 O ATOM 216 CB ARG A 17 -8.141 -0.816 -11.057 1.00 0.00 C ATOM 217 CG ARG A 17 -7.056 -1.648 -11.727 1.00 0.00 C ATOM 218 CD ARG A 17 -7.648 -2.795 -12.529 1.00 0.00 C ATOM 219 NE ARG A 17 -6.926 -4.046 -12.311 1.00 0.00 N ATOM 220 CZ ARG A 17 -7.123 -5.151 -13.027 1.00 0.00 C ATOM 221 NH1 ARG A 17 -8.017 -5.163 -14.008 1.00 0.00 N ATOM 222 NH2 ARG A 17 -6.423 -6.245 -12.763 1.00 0.00 N ATOM 0 H ARG A 17 -9.821 -0.103 -9.363 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.341 -1.122 -9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.046 -1.417 -10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.382 0.033 -11.697 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.462 -1.012 -12.384 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.380 -2.044 -10.969 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.694 -2.928 -12.254 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.627 -2.544 -13.590 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.230 -4.075 -11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.557 -4.323 -14.216 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.164 -6.012 -14.554 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.733 -6.240 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.574 -7.092 -13.311 1.00 0.00 H new ATOM 236 N GLU A 18 -7.098 1.903 -10.431 1.00 0.00 N ATOM 237 CA GLU A 18 -6.213 3.047 -10.615 1.00 0.00 C ATOM 238 C GLU A 18 -5.782 3.602 -9.262 1.00 0.00 C ATOM 239 O GLU A 18 -4.635 4.010 -9.084 1.00 0.00 O ATOM 240 CB GLU A 18 -6.914 4.137 -11.432 1.00 0.00 C ATOM 241 CG GLU A 18 -6.083 5.396 -11.614 1.00 0.00 C ATOM 242 CD GLU A 18 -6.904 6.571 -12.106 1.00 0.00 C ATOM 243 OE1 GLU A 18 -8.015 6.782 -11.576 1.00 0.00 O ATOM 244 OE2 GLU A 18 -6.437 7.282 -13.021 1.00 0.00 O ATOM 0 H GLU A 18 -8.032 2.028 -10.821 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.328 2.718 -11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.169 3.736 -12.413 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.852 4.399 -10.942 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.614 5.657 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.279 5.197 -12.323 1.00 0.00 H new ATOM 251 N HIS A 19 -6.706 3.594 -8.305 1.00 0.00 N ATOM 252 CA HIS A 19 -6.421 4.071 -6.963 1.00 0.00 C ATOM 253 C HIS A 19 -5.355 3.185 -6.332 1.00 0.00 C ATOM 254 O HIS A 19 -4.223 3.612 -6.114 1.00 0.00 O ATOM 255 CB HIS A 19 -7.702 4.043 -6.135 1.00 0.00 C ATOM 256 CG HIS A 19 -7.683 4.930 -4.941 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.049 6.152 -4.898 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.258 4.759 -3.742 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.238 6.697 -3.709 1.00 0.00 C ATOM 260 NE2 HIS A 19 -7.970 5.868 -2.985 1.00 0.00 N ATOM 0 H HIS A 19 -7.661 3.260 -8.439 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.050 5.095 -7.000 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.538 4.330 -6.772 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.887 3.019 -5.809 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.841 3.905 -3.429 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.859 7.655 -3.385 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.271 6.026 -2.023 1.00 0.00 H new ATOM 269 N LEU A 20 -5.725 1.932 -6.076 1.00 0.00 N ATOM 270 CA LEU A 20 -4.807 0.947 -5.508 1.00 0.00 C ATOM 271 C LEU A 20 -3.454 1.016 -6.213 1.00 0.00 C ATOM 272 O LEU A 20 -2.403 1.094 -5.569 1.00 0.00 O ATOM 273 CB LEU A 20 -5.409 -0.456 -5.641 1.00 0.00 C ATOM 274 CG LEU A 20 -6.918 -0.534 -5.357 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.449 -1.952 -5.497 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.224 0.016 -3.976 1.00 0.00 C ATOM 0 H LEU A 20 -6.663 1.573 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.655 1.168 -4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.223 -0.823 -6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.889 -1.127 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.425 0.078 -6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.519 -1.962 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.274 -2.307 -6.513 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.935 -2.604 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.296 -0.046 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.691 -0.568 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.905 1.057 -3.920 1.00 0.00 H new ATOM 282 N GLU A 21 -3.493 1.011 -7.545 1.00 0.00 N ATOM 283 CA GLU A 21 -2.278 1.094 -8.343 1.00 0.00 C ATOM 284 C GLU A 21 -1.551 2.407 -8.070 1.00 0.00 C ATOM 285 O GLU A 21 -0.360 2.418 -7.755 1.00 0.00 O ATOM 286 CB GLU A 21 -2.611 0.978 -9.832 1.00 0.00 C ATOM 287 CG GLU A 21 -3.035 -0.420 -10.254 1.00 0.00 C ATOM 288 CD GLU A 21 -3.338 -0.515 -11.736 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.352 0.071 -12.173 1.00 0.00 O ATOM 290 OE2 GLU A 21 -2.564 -1.175 -12.459 1.00 0.00 O ATOM 0 H GLU A 21 -4.353 0.950 -8.090 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.625 0.268 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.410 1.679 -10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.739 1.276 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.244 -1.127 -10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.918 -0.715 -9.687 1.00 0.00 H new ATOM 297 N GLU A 22 -2.281 3.516 -8.180 1.00 0.00 N ATOM 298 CA GLU A 22 -1.710 4.837 -7.932 1.00 0.00 C ATOM 299 C GLU A 22 -1.108 4.896 -6.533 1.00 0.00 C ATOM 300 O GLU A 22 0.079 5.189 -6.367 1.00 0.00 O ATOM 301 CB GLU A 22 -2.774 5.924 -8.091 1.00 0.00 C ATOM 302 CG GLU A 22 -2.236 7.333 -7.899 1.00 0.00 C ATOM 303 CD GLU A 22 -2.634 8.270 -9.023 1.00 0.00 C ATOM 304 OE1 GLU A 22 -3.809 8.693 -9.055 1.00 0.00 O ATOM 305 OE2 GLU A 22 -1.772 8.580 -9.871 1.00 0.00 O ATOM 0 H GLU A 22 -3.268 3.525 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.923 5.014 -8.665 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.217 5.845 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.573 5.747 -7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.602 7.731 -6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.149 7.296 -7.830 1.00 0.00 H new ATOM 312 N ARG A 23 -1.928 4.595 -5.528 1.00 0.00 N ATOM 313 CA ARG A 23 -1.465 4.594 -4.144 1.00 0.00 C ATOM 314 C ARG A 23 -0.201 3.757 -4.029 1.00 0.00 C ATOM 315 O ARG A 23 0.762 4.145 -3.364 1.00 0.00 O ATOM 316 CB ARG A 23 -2.538 4.055 -3.197 1.00 0.00 C ATOM 317 CG ARG A 23 -2.427 4.616 -1.792 1.00 0.00 C ATOM 318 CD ARG A 23 -2.722 6.107 -1.761 1.00 0.00 C ATOM 319 NE ARG A 23 -4.077 6.386 -1.291 1.00 0.00 N ATOM 320 CZ ARG A 23 -4.565 7.614 -1.125 1.00 0.00 C ATOM 321 NH1 ARG A 23 -3.815 8.676 -1.389 1.00 0.00 N ATOM 322 NH2 ARG A 23 -5.809 7.780 -0.693 1.00 0.00 N ATOM 0 H ARG A 23 -2.911 4.350 -5.646 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.251 5.623 -3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.523 4.293 -3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.464 2.968 -3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.122 4.093 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.424 4.435 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.003 6.606 -1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.592 6.523 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.684 5.595 -1.078 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.858 8.555 -1.721 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.195 9.614 -1.260 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.391 6.967 -0.488 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.183 8.720 -0.566 1.00 0.00 H new ATOM 336 N LEU A 24 -0.201 2.616 -4.713 1.00 0.00 N ATOM 337 CA LEU A 24 0.959 1.739 -4.715 1.00 0.00 C ATOM 338 C LEU A 24 2.155 2.488 -5.290 1.00 0.00 C ATOM 339 O LEU A 24 3.204 2.594 -4.652 1.00 0.00 O ATOM 340 CB LEU A 24 0.674 0.480 -5.541 1.00 0.00 C ATOM 341 CG LEU A 24 1.656 -0.681 -5.346 1.00 0.00 C ATOM 342 CD1 LEU A 24 3.094 -0.211 -5.489 1.00 0.00 C ATOM 343 CD2 LEU A 24 1.440 -1.345 -3.993 1.00 0.00 C ATOM 0 H LEU A 24 -0.988 2.281 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 24 1.181 1.434 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.329 0.128 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.669 0.754 -6.596 1.00 0.00 H new ATOM 0 HG LEU A 24 1.464 -1.418 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.769 -1.055 -5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.243 0.208 -6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.304 0.552 -4.739 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.147 -2.166 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.596 -0.614 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.422 -1.731 -3.935 1.00 0.00 H new ATOM 349 N ALA A 25 1.977 3.028 -6.495 1.00 0.00 N ATOM 350 CA ALA A 25 3.030 3.793 -7.147 1.00 0.00 C ATOM 351 C ALA A 25 3.538 4.880 -6.210 1.00 0.00 C ATOM 352 O ALA A 25 4.715 5.240 -6.233 1.00 0.00 O ATOM 353 CB ALA A 25 2.521 4.400 -8.445 1.00 0.00 C ATOM 0 H ALA A 25 1.115 2.948 -7.035 1.00 0.00 H new ATOM 0 HA ALA A 25 3.856 3.123 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.321 4.968 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.194 3.605 -9.115 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.682 5.063 -8.232 1.00 0.00 H new ATOM 359 N LYS A 26 2.637 5.382 -5.368 1.00 0.00 N ATOM 360 CA LYS A 26 2.987 6.410 -4.401 1.00 0.00 C ATOM 361 C LYS A 26 3.798 5.802 -3.263 1.00 0.00 C ATOM 362 O LYS A 26 4.739 6.414 -2.758 1.00 0.00 O ATOM 363 CB LYS A 26 1.726 7.079 -3.850 1.00 0.00 C ATOM 364 CG LYS A 26 1.945 8.513 -3.397 1.00 0.00 C ATOM 365 CD LYS A 26 1.469 9.509 -4.442 1.00 0.00 C ATOM 366 CE LYS A 26 2.628 10.064 -5.255 1.00 0.00 C ATOM 367 NZ LYS A 26 2.565 11.547 -5.371 1.00 0.00 N ATOM 0 H LYS A 26 1.660 5.091 -5.339 1.00 0.00 H new ATOM 0 HA LYS A 26 3.590 7.167 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.952 7.064 -4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.353 6.494 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.413 8.685 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.004 8.674 -3.196 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.755 9.025 -5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.943 10.328 -3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.570 9.776 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.618 9.621 -6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.372 11.886 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.678 11.821 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.601 11.971 -4.422 1.00 0.00 H new ATOM 381 N LEU A 27 3.433 4.581 -2.872 1.00 0.00 N ATOM 382 CA LEU A 27 4.137 3.881 -1.803 1.00 0.00 C ATOM 383 C LEU A 27 5.455 3.292 -2.308 1.00 0.00 C ATOM 384 O LEU A 27 6.275 2.825 -1.520 1.00 0.00 O ATOM 385 CB LEU A 27 3.257 2.778 -1.200 1.00 0.00 C ATOM 386 CG LEU A 27 2.676 3.098 0.182 1.00 0.00 C ATOM 387 CD1 LEU A 27 1.965 1.882 0.755 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.770 3.574 1.131 1.00 0.00 C ATOM 0 H LEU A 27 2.657 4.060 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 27 4.363 4.608 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.434 2.575 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.845 1.863 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 27 1.949 3.902 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.559 2.127 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.154 1.588 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.673 1.058 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.335 3.795 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.523 2.794 1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.235 4.474 0.728 1.00 0.00 H new ATOM 394 N GLY A 28 5.662 3.326 -3.625 1.00 0.00 N ATOM 395 CA GLY A 28 6.893 2.803 -4.192 1.00 0.00 C ATOM 396 C GLY A 28 8.082 3.689 -3.874 1.00 0.00 C ATOM 397 O GLY A 28 9.173 3.201 -3.579 1.00 0.00 O ATOM 0 H GLY A 28 5.002 3.705 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.074 1.800 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.786 2.713 -5.273 1.00 0.00 H new ATOM 401 N LYS A 29 7.859 4.996 -3.928 1.00 0.00 N ATOM 402 CA LYS A 29 8.902 5.976 -3.638 1.00 0.00 C ATOM 403 C LYS A 29 9.420 5.808 -2.210 1.00 0.00 C ATOM 404 O LYS A 29 10.559 6.159 -1.903 1.00 0.00 O ATOM 405 CB LYS A 29 8.341 7.394 -3.839 1.00 0.00 C ATOM 406 CG LYS A 29 9.136 8.502 -3.159 1.00 0.00 C ATOM 407 CD LYS A 29 8.259 9.329 -2.230 1.00 0.00 C ATOM 408 CE LYS A 29 8.794 9.333 -0.805 1.00 0.00 C ATOM 409 NZ LYS A 29 9.832 10.381 -0.603 1.00 0.00 N ATOM 0 H LYS A 29 6.957 5.406 -4.172 1.00 0.00 H new ATOM 0 HA LYS A 29 9.737 5.817 -4.321 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.296 7.603 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.317 7.420 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.958 8.066 -2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.579 9.150 -3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.201 10.353 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.245 8.930 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.971 9.498 -0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.216 8.355 -0.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.170 10.350 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.629 10.209 -1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.423 11.317 -0.799 1.00 0.00 H new ATOM 423 N TRP A 30 8.570 5.280 -1.342 1.00 0.00 N ATOM 424 CA TRP A 30 8.902 5.075 0.034 1.00 0.00 C ATOM 425 C TRP A 30 10.088 4.146 0.191 1.00 0.00 C ATOM 426 O TRP A 30 10.359 3.302 -0.662 1.00 0.00 O ATOM 427 CB TRP A 30 7.688 4.517 0.763 1.00 0.00 C ATOM 428 CG TRP A 30 6.782 5.583 1.295 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.811 6.258 0.612 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.774 6.101 2.622 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.197 7.165 1.442 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.772 7.087 2.684 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.518 5.823 3.765 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.501 7.797 3.851 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.249 6.526 4.920 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.248 7.503 4.957 1.00 0.00 C ATOM 0 H TRP A 30 7.626 4.984 -1.589 1.00 0.00 H new ATOM 0 HA TRP A 30 9.185 6.034 0.469 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.126 3.877 0.083 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.024 3.889 1.588 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.562 6.102 -0.427 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.438 7.793 1.177 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.292 5.070 3.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.729 8.552 3.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.821 6.319 5.812 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.062 8.035 5.878 1.00 0.00 H new ATOM 447 N GLN A 31 10.775 4.322 1.301 1.00 0.00 N ATOM 448 CA GLN A 31 11.946 3.517 1.645 1.00 0.00 C ATOM 449 C GLN A 31 11.562 2.047 1.737 1.00 0.00 C ATOM 450 O GLN A 31 11.553 1.467 2.823 1.00 0.00 O ATOM 451 CB GLN A 31 12.525 3.968 2.991 1.00 0.00 C ATOM 452 CG GLN A 31 13.298 5.273 2.936 1.00 0.00 C ATOM 453 CD GLN A 31 12.519 6.390 2.268 1.00 0.00 C ATOM 454 OE1 GLN A 31 11.480 6.822 2.767 1.00 0.00 O ATOM 455 NE2 GLN A 31 13.018 6.861 1.131 1.00 0.00 N ATOM 0 H GLN A 31 10.542 5.029 1.998 1.00 0.00 H new ATOM 0 HA GLN A 31 12.695 3.651 0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.709 4.073 3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.183 3.186 3.370 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.563 5.576 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.232 5.114 2.397 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.883 6.473 0.754 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.537 7.611 0.635 1.00 0.00 H new ATOM 462 N THR A 32 11.218 1.452 0.605 1.00 0.00 N ATOM 463 CA THR A 32 10.805 0.066 0.586 1.00 0.00 C ATOM 464 C THR A 32 10.725 -0.478 -0.838 1.00 0.00 C ATOM 465 O THR A 32 10.568 0.271 -1.802 1.00 0.00 O ATOM 466 CB THR A 32 9.439 -0.049 1.272 1.00 0.00 C ATOM 467 OG1 THR A 32 9.580 -0.014 2.680 1.00 0.00 O ATOM 468 CG2 THR A 32 8.678 -1.307 0.921 1.00 0.00 C ATOM 0 H THR A 32 11.218 1.909 -0.307 1.00 0.00 H new ATOM 0 HA THR A 32 11.547 -0.528 1.119 1.00 0.00 H new ATOM 0 HB THR A 32 8.871 0.805 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.523 0.122 2.911 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.723 -1.313 1.446 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.501 -1.337 -0.154 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.261 -2.179 1.217 1.00 0.00 H new ATOM 473 N GLN A 33 10.787 -1.798 -0.941 1.00 0.00 N ATOM 474 CA GLN A 33 10.675 -2.493 -2.212 1.00 0.00 C ATOM 475 C GLN A 33 9.576 -3.520 -2.077 1.00 0.00 C ATOM 476 O GLN A 33 9.818 -4.683 -1.759 1.00 0.00 O ATOM 477 CB GLN A 33 11.978 -3.171 -2.609 1.00 0.00 C ATOM 478 CG GLN A 33 12.726 -3.790 -1.445 1.00 0.00 C ATOM 479 CD GLN A 33 13.834 -2.886 -0.931 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.695 -1.663 -0.924 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.942 -3.479 -0.498 1.00 0.00 N ATOM 0 H GLN A 33 10.917 -2.418 -0.141 1.00 0.00 H new ATOM 0 HA GLN A 33 10.446 -1.771 -2.996 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.764 -3.946 -3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.623 -2.440 -3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.026 -4.001 -0.636 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.152 -4.744 -1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 33 15.018 -4.496 -0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.716 -2.917 -0.143 1.00 0.00 H new ATOM 488 N LEU A 34 8.364 -3.047 -2.270 1.00 0.00 N ATOM 489 CA LEU A 34 7.169 -3.856 -2.129 1.00 0.00 C ATOM 490 C LEU A 34 7.365 -5.299 -2.567 1.00 0.00 C ATOM 491 O LEU A 34 7.504 -5.599 -3.753 1.00 0.00 O ATOM 492 CB LEU A 34 6.019 -3.216 -2.896 1.00 0.00 C ATOM 493 CG LEU A 34 5.269 -2.119 -2.137 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.217 -1.328 -1.239 1.00 0.00 C ATOM 495 CD2 LEU A 34 4.563 -1.200 -3.118 1.00 0.00 C ATOM 0 H LEU A 34 8.177 -2.079 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 34 6.932 -3.891 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.409 -2.795 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.309 -3.995 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 34 4.522 -2.589 -1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.658 -0.555 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.678 -2.000 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.992 -0.863 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.032 -0.422 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.298 -0.741 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.852 -1.777 -3.710 1.00 0.00 H new ATOM 501 N ILE A 35 7.352 -6.186 -1.582 1.00 0.00 N ATOM 502 CA ILE A 35 7.501 -7.608 -1.813 1.00 0.00 C ATOM 503 C ILE A 35 6.140 -8.228 -2.096 1.00 0.00 C ATOM 504 O ILE A 35 5.433 -8.647 -1.179 1.00 0.00 O ATOM 505 CB ILE A 35 8.147 -8.291 -0.593 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.598 -7.807 -0.446 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.077 -9.811 -0.728 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.472 -8.735 0.362 1.00 0.00 C ATOM 0 H ILE A 35 7.237 -5.935 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 35 8.151 -7.756 -2.675 1.00 0.00 H new ATOM 0 HB ILE A 35 7.597 -8.019 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.033 -7.686 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.597 -6.823 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.538 -10.275 0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.035 -10.123 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.608 -10.121 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.480 -8.326 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.063 -8.837 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.505 -9.713 -0.118 1.00 0.00 H new ATOM 512 N SER A 36 5.770 -8.266 -3.370 1.00 0.00 N ATOM 513 CA SER A 36 4.479 -8.817 -3.773 1.00 0.00 C ATOM 514 C SER A 36 3.354 -8.177 -2.963 1.00 0.00 C ATOM 515 O SER A 36 3.009 -8.640 -1.875 1.00 0.00 O ATOM 516 CB SER A 36 4.478 -10.335 -3.594 1.00 0.00 C ATOM 517 OG SER A 36 3.157 -10.844 -3.532 1.00 0.00 O ATOM 0 H SER A 36 6.343 -7.923 -4.141 1.00 0.00 H new ATOM 0 HA SER A 36 4.312 -8.593 -4.826 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.012 -10.802 -4.422 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.014 -10.596 -2.682 1.00 0.00 H new ATOM 0 HG SER A 36 3.186 -11.817 -3.419 1.00 0.00 H new ATOM 523 N PRO A 37 2.794 -7.078 -3.486 1.00 0.00 N ATOM 524 CA PRO A 37 1.732 -6.324 -2.833 1.00 0.00 C ATOM 525 C PRO A 37 0.321 -6.735 -3.249 1.00 0.00 C ATOM 526 O PRO A 37 0.050 -7.001 -4.422 1.00 0.00 O ATOM 527 CB PRO A 37 2.021 -4.899 -3.300 1.00 0.00 C ATOM 528 CG PRO A 37 2.712 -5.038 -4.625 1.00 0.00 C ATOM 529 CD PRO A 37 3.183 -6.458 -4.756 1.00 0.00 C ATOM 0 HA PRO A 37 1.738 -6.478 -1.754 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.100 -4.324 -3.397 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.651 -4.372 -2.583 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.031 -4.786 -5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.555 -4.350 -4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.715 -6.957 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.261 -6.509 -4.912 1.00 0.00 H new ATOM 537 N HIS A 38 -0.580 -6.749 -2.268 1.00 0.00 N ATOM 538 CA HIS A 38 -1.981 -7.087 -2.495 1.00 0.00 C ATOM 539 C HIS A 38 -2.874 -6.015 -1.901 1.00 0.00 C ATOM 540 O HIS A 38 -2.421 -5.156 -1.146 1.00 0.00 O ATOM 541 CB HIS A 38 -2.339 -8.422 -1.852 1.00 0.00 C ATOM 542 CG HIS A 38 -2.527 -9.540 -2.824 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.415 -9.697 -3.833 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.766 -10.686 -2.801 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.177 -10.926 -4.395 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.177 -11.503 -3.754 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.359 -6.527 -1.297 1.00 0.00 H new ATOM 0 HA HIS A 38 -2.133 -7.157 -3.572 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.553 -8.696 -1.148 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.255 -8.300 -1.274 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.959 -10.886 -2.112 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.719 -11.352 -5.226 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.788 -12.423 -3.960 1.00 0.00 H new ATOM 555 N PHE A 39 -4.151 -6.097 -2.219 1.00 0.00 N ATOM 556 CA PHE A 39 -5.125 -5.158 -1.690 1.00 0.00 C ATOM 557 C PHE A 39 -6.512 -5.785 -1.616 1.00 0.00 C ATOM 558 O PHE A 39 -7.224 -5.865 -2.618 1.00 0.00 O ATOM 559 CB PHE A 39 -5.159 -3.876 -2.514 1.00 0.00 C ATOM 560 CG PHE A 39 -4.632 -2.679 -1.777 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.269 -2.453 -1.666 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.507 -1.778 -1.191 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.790 -1.350 -0.983 1.00 0.00 C ATOM 564 CE2 PHE A 39 -5.035 -0.675 -0.508 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.675 -0.461 -0.404 1.00 0.00 C ATOM 0 H PHE A 39 -4.540 -6.805 -2.842 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.815 -4.901 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.574 -4.021 -3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.185 -3.679 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.574 -3.145 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.572 -1.941 -1.270 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.726 -1.184 -0.902 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.728 0.019 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.303 0.401 0.130 1.00 0.00 H new ATOM 575 N VAL A 40 -6.892 -6.225 -0.422 1.00 0.00 N ATOM 576 CA VAL A 40 -8.187 -6.838 -0.208 1.00 0.00 C ATOM 577 C VAL A 40 -9.224 -5.779 0.155 1.00 0.00 C ATOM 578 O VAL A 40 -9.411 -5.451 1.328 1.00 0.00 O ATOM 579 CB VAL A 40 -8.107 -7.889 0.910 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.422 -8.627 1.034 1.00 0.00 C ATOM 581 CG2 VAL A 40 -6.958 -8.859 0.656 1.00 0.00 C ATOM 0 H VAL A 40 -6.313 -6.165 0.415 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.489 -7.328 -1.134 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.912 -7.378 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.350 -9.368 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.216 -7.918 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.649 -9.127 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.919 -9.595 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.115 -9.368 -0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.018 -8.309 0.622 1.00 0.00 H new ATOM 585 N LEU A 41 -9.880 -5.236 -0.865 1.00 0.00 N ATOM 586 CA LEU A 41 -10.887 -4.197 -0.670 1.00 0.00 C ATOM 587 C LEU A 41 -12.290 -4.783 -0.568 1.00 0.00 C ATOM 588 O LEU A 41 -12.619 -5.756 -1.247 1.00 0.00 O ATOM 589 CB LEU A 41 -10.836 -3.204 -1.831 1.00 0.00 C ATOM 590 CG LEU A 41 -11.119 -3.814 -3.207 1.00 0.00 C ATOM 591 CD1 LEU A 41 -12.005 -2.895 -4.037 1.00 0.00 C ATOM 592 CD2 LEU A 41 -9.817 -4.105 -3.935 1.00 0.00 C ATOM 0 H LEU A 41 -9.732 -5.499 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.663 -3.690 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.560 -2.410 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.850 -2.739 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 41 -11.652 -4.754 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.192 -3.350 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.953 -2.740 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.506 -1.936 -4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.035 -4.538 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.258 -3.178 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.223 -4.808 -3.351 1.00 0.00 H new ATOM 598 N ASN A 42 -13.121 -4.171 0.271 1.00 0.00 N ATOM 599 CA ASN A 42 -14.496 -4.624 0.443 1.00 0.00 C ATOM 600 C ASN A 42 -15.421 -3.476 0.827 1.00 0.00 C ATOM 601 O ASN A 42 -14.978 -2.387 1.195 1.00 0.00 O ATOM 602 CB ASN A 42 -14.588 -5.726 1.499 1.00 0.00 C ATOM 603 CG ASN A 42 -13.462 -6.730 1.388 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.422 -7.539 0.461 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.539 -6.683 2.337 1.00 0.00 N ATOM 0 H ASN A 42 -12.867 -3.363 0.840 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.818 -5.025 -0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.573 -5.276 2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.542 -6.243 1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.754 -7.335 2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.613 -5.995 3.087 1.00 0.00 H new ATOM 610 N LYS A 43 -16.714 -3.746 0.743 1.00 0.00 N ATOM 611 CA LYS A 43 -17.741 -2.768 1.081 1.00 0.00 C ATOM 612 C LYS A 43 -18.751 -3.389 2.033 1.00 0.00 C ATOM 613 O LYS A 43 -18.782 -4.605 2.215 1.00 0.00 O ATOM 614 CB LYS A 43 -18.472 -2.301 -0.187 1.00 0.00 C ATOM 615 CG LYS A 43 -19.970 -2.059 0.014 1.00 0.00 C ATOM 616 CD LYS A 43 -20.650 -1.640 -1.281 1.00 0.00 C ATOM 617 CE LYS A 43 -21.533 -0.419 -1.078 1.00 0.00 C ATOM 618 NZ LYS A 43 -22.947 -0.794 -0.804 1.00 0.00 N ATOM 0 H LYS A 43 -17.083 -4.647 0.439 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.261 -1.913 1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.010 -1.380 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.336 -3.048 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.438 -2.967 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.116 -1.286 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.894 -1.422 -2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.251 -2.466 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.148 0.173 -0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -21.490 0.211 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.515 0.067 -0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.324 -1.338 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.992 -1.374 0.058 1.00 0.00 H new ATOM 632 N VAL A 44 -19.599 -2.551 2.604 1.00 0.00 N ATOM 633 CA VAL A 44 -20.632 -3.023 3.495 1.00 0.00 C ATOM 634 C VAL A 44 -21.728 -1.973 3.680 1.00 0.00 C ATOM 635 O VAL A 44 -21.507 -0.784 3.461 1.00 0.00 O ATOM 636 CB VAL A 44 -20.068 -3.419 4.859 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.560 -4.854 4.832 1.00 0.00 C ATOM 638 CG2 VAL A 44 -18.970 -2.465 5.310 1.00 0.00 C ATOM 0 H VAL A 44 -19.588 -1.541 2.463 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.064 -3.909 3.030 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.878 -3.352 5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.162 -5.118 5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.381 -5.526 4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.773 -4.947 4.084 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.593 -2.778 6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.156 -2.478 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.373 -1.455 5.385 1.00 0.00 H new ATOM 642 N PRO A 45 -22.935 -2.401 4.081 1.00 0.00 N ATOM 643 CA PRO A 45 -24.063 -1.487 4.285 1.00 0.00 C ATOM 644 C PRO A 45 -23.702 -0.292 5.162 1.00 0.00 C ATOM 645 O PRO A 45 -24.114 0.836 4.894 1.00 0.00 O ATOM 646 CB PRO A 45 -25.106 -2.365 4.980 1.00 0.00 C ATOM 647 CG PRO A 45 -24.791 -3.750 4.533 1.00 0.00 C ATOM 648 CD PRO A 45 -23.297 -3.803 4.360 1.00 0.00 C ATOM 0 HA PRO A 45 -24.405 -1.051 3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -25.041 -2.274 6.064 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.118 -2.078 4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.124 -4.482 5.268 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.300 -3.983 3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.802 -4.175 5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.011 -4.463 3.541 1.00 0.00 H new ATOM 656 N ASN A 46 -22.938 -0.552 6.216 1.00 0.00 N ATOM 657 CA ASN A 46 -22.527 0.496 7.144 1.00 0.00 C ATOM 658 C ASN A 46 -21.335 1.299 6.618 1.00 0.00 C ATOM 659 O ASN A 46 -20.866 2.221 7.285 1.00 0.00 O ATOM 660 CB ASN A 46 -22.180 -0.114 8.503 1.00 0.00 C ATOM 661 CG ASN A 46 -23.370 -0.153 9.441 1.00 0.00 C ATOM 662 OD1 ASN A 46 -23.300 0.327 10.573 1.00 0.00 O ATOM 663 ND2 ASN A 46 -24.474 -0.725 8.973 1.00 0.00 N ATOM 0 H ASN A 46 -22.590 -1.482 6.450 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.367 1.183 7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.802 -1.126 8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.378 0.463 8.963 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -25.308 -0.779 9.558 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -24.488 -1.110 8.029 1.00 0.00 H new ATOM 668 N GLY A 47 -20.838 0.949 5.433 1.00 0.00 N ATOM 669 CA GLY A 47 -19.704 1.660 4.879 1.00 0.00 C ATOM 670 C GLY A 47 -18.873 0.808 3.948 1.00 0.00 C ATOM 671 O GLY A 47 -19.382 -0.058 3.241 1.00 0.00 O ATOM 0 H GLY A 47 -21.199 0.192 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.060 2.538 4.339 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.075 2.020 5.693 1.00 0.00 H new ATOM 675 N PHE A 48 -17.588 1.075 3.955 1.00 0.00 N ATOM 676 CA PHE A 48 -16.638 0.359 3.126 1.00 0.00 C ATOM 677 C PHE A 48 -15.499 -0.177 3.978 1.00 0.00 C ATOM 678 O PHE A 48 -14.925 0.556 4.785 1.00 0.00 O ATOM 679 CB PHE A 48 -16.057 1.292 2.070 1.00 0.00 C ATOM 680 CG PHE A 48 -16.937 1.531 0.883 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.844 2.577 0.870 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.839 0.720 -0.230 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.638 2.806 -0.237 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.631 0.939 -1.338 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.531 1.983 -1.343 1.00 0.00 C ATOM 0 H PHE A 48 -17.167 1.798 4.538 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.160 -0.468 2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.835 2.251 2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.110 0.879 1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -17.932 3.220 1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.133 -0.097 -0.233 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.341 3.626 -0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.546 0.294 -2.200 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.152 2.158 -2.209 1.00 0.00 H new ATOM 695 N SER A 49 -15.152 -1.442 3.780 1.00 0.00 N ATOM 696 CA SER A 49 -14.056 -2.044 4.517 1.00 0.00 C ATOM 697 C SER A 49 -12.934 -2.389 3.562 1.00 0.00 C ATOM 698 O SER A 49 -13.130 -3.099 2.579 1.00 0.00 O ATOM 699 CB SER A 49 -14.499 -3.288 5.279 1.00 0.00 C ATOM 700 OG SER A 49 -15.859 -3.595 5.023 1.00 0.00 O ATOM 0 H SER A 49 -15.613 -2.066 3.118 1.00 0.00 H new ATOM 0 HA SER A 49 -13.706 -1.320 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.874 -4.134 4.993 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.355 -3.132 6.348 1.00 0.00 H new ATOM 0 HG SER A 49 -16.113 -4.398 5.524 1.00 0.00 H new ATOM 706 N VAL A 50 -11.764 -1.865 3.852 1.00 0.00 N ATOM 707 CA VAL A 50 -10.602 -2.094 3.008 1.00 0.00 C ATOM 708 C VAL A 50 -9.428 -2.631 3.819 1.00 0.00 C ATOM 709 O VAL A 50 -9.069 -2.068 4.852 1.00 0.00 O ATOM 710 CB VAL A 50 -10.159 -0.801 2.285 1.00 0.00 C ATOM 711 CG1 VAL A 50 -9.669 -1.117 0.882 1.00 0.00 C ATOM 712 CG2 VAL A 50 -11.291 0.218 2.242 1.00 0.00 C ATOM 0 H VAL A 50 -11.587 -1.276 4.666 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.899 -2.834 2.265 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.335 -0.364 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.361 -0.195 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.821 -1.799 0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.473 -1.583 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -10.952 1.117 1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.142 -0.206 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.590 0.472 3.259 1.00 0.00 H new ATOM 716 N GLU A 51 -8.830 -3.715 3.334 1.00 0.00 N ATOM 717 CA GLU A 51 -7.687 -4.329 4.000 1.00 0.00 C ATOM 718 C GLU A 51 -6.580 -4.595 2.992 1.00 0.00 C ATOM 719 O GLU A 51 -6.808 -5.200 1.945 1.00 0.00 O ATOM 720 CB GLU A 51 -8.105 -5.630 4.692 1.00 0.00 C ATOM 721 CG GLU A 51 -6.940 -6.514 5.119 1.00 0.00 C ATOM 722 CD GLU A 51 -7.027 -6.938 6.573 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.806 -7.866 6.875 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.315 -6.342 7.408 1.00 0.00 O ATOM 0 H GLU A 51 -9.120 -4.188 2.478 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.313 -3.643 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.702 -5.385 5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.748 -6.196 4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.913 -7.402 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.005 -5.978 4.957 1.00 0.00 H new ATOM 731 N ALA A 52 -5.385 -4.126 3.310 1.00 0.00 N ATOM 732 CA ALA A 52 -4.237 -4.300 2.430 1.00 0.00 C ATOM 733 C ALA A 52 -3.176 -5.187 3.066 1.00 0.00 C ATOM 734 O ALA A 52 -3.093 -5.295 4.289 1.00 0.00 O ATOM 735 CB ALA A 52 -3.644 -2.946 2.069 1.00 0.00 C ATOM 0 H ALA A 52 -5.182 -3.621 4.172 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.583 -4.794 1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.787 -3.088 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.396 -2.343 1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.324 -2.435 2.977 1.00 0.00 H new ATOM 741 N SER A 53 -2.364 -5.817 2.224 1.00 0.00 N ATOM 742 CA SER A 53 -1.301 -6.693 2.693 1.00 0.00 C ATOM 743 C SER A 53 -0.102 -6.642 1.753 1.00 0.00 C ATOM 744 O SER A 53 -0.122 -7.227 0.670 1.00 0.00 O ATOM 745 CB SER A 53 -1.806 -8.130 2.815 1.00 0.00 C ATOM 746 OG SER A 53 -3.061 -8.177 3.473 1.00 0.00 O ATOM 0 H SER A 53 -2.424 -5.735 1.209 1.00 0.00 H new ATOM 0 HA SER A 53 -0.987 -6.344 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.896 -8.572 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.080 -8.728 3.366 1.00 0.00 H new ATOM 0 HG SER A 53 -3.362 -9.107 3.537 1.00 0.00 H new ATOM 752 N ILE A 54 0.938 -5.940 2.179 1.00 0.00 N ATOM 753 CA ILE A 54 2.155 -5.807 1.385 1.00 0.00 C ATOM 754 C ILE A 54 3.354 -6.352 2.157 1.00 0.00 C ATOM 755 O ILE A 54 3.219 -6.761 3.309 1.00 0.00 O ATOM 756 CB ILE A 54 2.421 -4.334 0.997 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.101 -3.589 0.764 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.300 -4.266 -0.243 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.276 -2.167 0.267 1.00 0.00 C ATOM 0 H ILE A 54 0.965 -5.451 3.074 1.00 0.00 H new ATOM 0 HA ILE A 54 2.014 -6.384 0.471 1.00 0.00 H new ATOM 0 HB ILE A 54 2.944 -3.848 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.504 -4.145 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.536 -3.571 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.479 -3.223 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.251 -4.758 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.800 -4.767 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.298 -1.708 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.845 -1.593 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.812 -2.177 -0.682 1.00 0.00 H new ATOM 763 N GLY A 55 4.523 -6.360 1.524 1.00 0.00 N ATOM 764 CA GLY A 55 5.711 -6.858 2.181 1.00 0.00 C ATOM 765 C GLY A 55 6.919 -5.996 1.923 1.00 0.00 C ATOM 766 O GLY A 55 7.080 -5.431 0.843 1.00 0.00 O ATOM 0 H GLY A 55 4.666 -6.030 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.532 -6.914 3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.913 -7.873 1.838 1.00 0.00 H new ATOM 770 N THR A 56 7.772 -5.913 2.922 1.00 0.00 N ATOM 771 CA THR A 56 8.999 -5.134 2.821 1.00 0.00 C ATOM 772 C THR A 56 10.176 -5.937 3.350 1.00 0.00 C ATOM 773 O THR A 56 10.069 -6.579 4.395 1.00 0.00 O ATOM 774 CB THR A 56 8.918 -3.809 3.593 1.00 0.00 C ATOM 775 OG1 THR A 56 9.630 -3.899 4.825 1.00 0.00 O ATOM 776 CG2 THR A 56 7.503 -3.349 3.891 1.00 0.00 C ATOM 0 H THR A 56 7.641 -6.377 3.821 1.00 0.00 H new ATOM 0 HA THR A 56 9.137 -4.904 1.765 1.00 0.00 H new ATOM 0 HB THR A 56 9.369 -3.070 2.931 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.020 -4.189 5.535 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.534 -2.407 4.438 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.962 -3.208 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.995 -4.102 4.494 1.00 0.00 H new ATOM 781 N PRO A 57 11.330 -5.904 2.666 1.00 0.00 N ATOM 782 CA PRO A 57 12.510 -6.624 3.134 1.00 0.00 C ATOM 783 C PRO A 57 12.818 -6.302 4.594 1.00 0.00 C ATOM 784 O PRO A 57 13.514 -7.057 5.273 1.00 0.00 O ATOM 785 CB PRO A 57 13.638 -6.111 2.240 1.00 0.00 C ATOM 786 CG PRO A 57 12.973 -5.570 1.022 1.00 0.00 C ATOM 787 CD PRO A 57 11.581 -5.157 1.417 1.00 0.00 C ATOM 0 HA PRO A 57 12.373 -7.704 3.081 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.218 -5.338 2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.330 -6.913 1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.528 -4.719 0.627 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.941 -6.323 0.235 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.513 -4.081 1.575 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.854 -5.413 0.646 1.00 0.00 H new ATOM 795 N LEU A 58 12.304 -5.164 5.070 1.00 0.00 N ATOM 796 CA LEU A 58 12.539 -4.740 6.444 1.00 0.00 C ATOM 797 C LEU A 58 11.302 -4.949 7.316 1.00 0.00 C ATOM 798 O LEU A 58 11.254 -4.496 8.459 1.00 0.00 O ATOM 799 CB LEU A 58 12.954 -3.269 6.468 1.00 0.00 C ATOM 800 CG LEU A 58 14.437 -3.007 6.200 1.00 0.00 C ATOM 801 CD1 LEU A 58 14.685 -2.794 4.712 1.00 0.00 C ATOM 802 CD2 LEU A 58 14.917 -1.805 7.000 1.00 0.00 C ATOM 0 H LEU A 58 11.726 -4.526 4.523 1.00 0.00 H new ATOM 0 HA LEU A 58 13.342 -5.353 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.366 -2.730 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.698 -2.851 7.442 1.00 0.00 H new ATOM 0 HG LEU A 58 15.004 -3.882 6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 58 15.746 -2.609 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 58 14.379 -3.683 4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.108 -1.937 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.974 -1.632 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.344 -0.924 6.712 1.00 0.00 H new ATOM 0 HD23 LEU A 58 14.778 -1.997 8.064 1.00 0.00 H new ATOM 808 N GLY A 59 10.303 -5.636 6.771 1.00 0.00 N ATOM 809 CA GLY A 59 9.083 -5.890 7.513 1.00 0.00 C ATOM 810 C GLY A 59 7.877 -6.057 6.611 1.00 0.00 C ATOM 811 O GLY A 59 7.829 -5.489 5.523 1.00 0.00 O ATOM 0 H GLY A 59 10.317 -6.022 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.209 -6.790 8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.904 -5.066 8.204 1.00 0.00 H new ATOM 815 N ASN A 60 6.899 -6.836 7.061 1.00 0.00 N ATOM 816 CA ASN A 60 5.689 -7.062 6.282 1.00 0.00 C ATOM 817 C ASN A 60 4.730 -5.889 6.439 1.00 0.00 C ATOM 818 O ASN A 60 4.941 -5.015 7.279 1.00 0.00 O ATOM 819 CB ASN A 60 5.005 -8.353 6.730 1.00 0.00 C ATOM 820 CG ASN A 60 5.678 -9.592 6.173 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.527 -10.197 6.827 1.00 0.00 O ATOM 822 ND2 ASN A 60 5.303 -9.976 4.957 1.00 0.00 N ATOM 0 H ASN A 60 6.921 -7.320 7.959 1.00 0.00 H new ATOM 0 HA ASN A 60 5.967 -7.153 5.232 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.006 -8.402 7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.962 -8.337 6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.723 -10.802 4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.595 -9.445 4.450 1.00 0.00 H new ATOM 827 N LEU A 61 3.676 -5.873 5.634 1.00 0.00 N ATOM 828 CA LEU A 61 2.693 -4.800 5.702 1.00 0.00 C ATOM 829 C LEU A 61 1.271 -5.334 5.622 1.00 0.00 C ATOM 830 O LEU A 61 0.944 -6.140 4.751 1.00 0.00 O ATOM 831 CB LEU A 61 2.900 -3.790 4.571 1.00 0.00 C ATOM 832 CG LEU A 61 4.205 -2.991 4.607 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.677 -2.700 3.190 1.00 0.00 C ATOM 834 CD2 LEU A 61 4.019 -1.688 5.379 1.00 0.00 C ATOM 0 H LEU A 61 3.480 -6.586 4.931 1.00 0.00 H new ATOM 0 HA LEU A 61 2.836 -4.309 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.852 -4.324 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.067 -3.087 4.584 1.00 0.00 H new ATOM 0 HG LEU A 61 4.961 -3.587 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.606 -2.131 3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.846 -3.639 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.917 -2.121 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.959 -1.136 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.250 -1.085 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.715 -1.911 6.402 1.00 0.00 H new ATOM 840 N LEU A 62 0.428 -4.847 6.519 1.00 0.00 N ATOM 841 CA LEU A 62 -0.974 -5.226 6.553 1.00 0.00 C ATOM 842 C LEU A 62 -1.792 -4.087 7.132 1.00 0.00 C ATOM 843 O LEU A 62 -1.320 -3.345 7.990 1.00 0.00 O ATOM 844 CB LEU A 62 -1.195 -6.490 7.379 1.00 0.00 C ATOM 845 CG LEU A 62 -0.201 -7.622 7.119 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.301 -8.680 8.207 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.449 -8.235 5.747 1.00 0.00 C ATOM 0 H LEU A 62 0.696 -4.179 7.242 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.293 -5.434 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.152 -6.226 8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.201 -6.860 7.184 1.00 0.00 H new ATOM 0 HG LEU A 62 0.808 -7.211 7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.414 -9.478 8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.079 -8.229 9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.310 -9.092 8.222 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.265 -9.040 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.463 -8.634 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.327 -7.471 4.980 1.00 0.00 H new ATOM 853 N ALA A 63 -3.012 -3.949 6.655 1.00 0.00 N ATOM 854 CA ALA A 63 -3.893 -2.889 7.123 1.00 0.00 C ATOM 855 C ALA A 63 -5.352 -3.235 6.879 1.00 0.00 C ATOM 856 O ALA A 63 -5.669 -4.097 6.058 1.00 0.00 O ATOM 857 CB ALA A 63 -3.541 -1.575 6.444 1.00 0.00 C ATOM 0 H ALA A 63 -3.420 -4.556 5.943 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.750 -2.783 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.207 -0.790 6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.510 -1.310 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.653 -1.681 5.365 1.00 0.00 H new ATOM 863 N SER A 64 -6.234 -2.552 7.595 1.00 0.00 N ATOM 864 CA SER A 64 -7.668 -2.774 7.464 1.00 0.00 C ATOM 865 C SER A 64 -8.446 -1.633 8.106 1.00 0.00 C ATOM 866 O SER A 64 -8.142 -1.215 9.222 1.00 0.00 O ATOM 867 CB SER A 64 -8.065 -4.105 8.105 1.00 0.00 C ATOM 868 OG SER A 64 -7.117 -4.505 9.079 1.00 0.00 O ATOM 0 H SER A 64 -5.980 -1.836 8.276 1.00 0.00 H new ATOM 0 HA SER A 64 -7.912 -2.810 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.048 -4.011 8.567 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.147 -4.873 7.336 1.00 0.00 H new ATOM 0 HG SER A 64 -6.510 -5.169 8.691 1.00 0.00 H new ATOM 874 N ALA A 65 -9.449 -1.127 7.396 1.00 0.00 N ATOM 875 CA ALA A 65 -10.257 -0.028 7.912 1.00 0.00 C ATOM 876 C ALA A 65 -11.672 -0.055 7.347 1.00 0.00 C ATOM 877 O ALA A 65 -11.898 -0.504 6.221 1.00 0.00 O ATOM 878 CB ALA A 65 -9.591 1.304 7.600 1.00 0.00 C ATOM 0 H ALA A 65 -9.720 -1.457 6.470 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.330 -0.149 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.203 2.117 7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.606 1.336 8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.486 1.414 6.521 1.00 0.00 H new ATOM 884 N THR A 66 -12.619 0.437 8.140 1.00 0.00 N ATOM 885 CA THR A 66 -14.019 0.487 7.736 1.00 0.00 C ATOM 886 C THR A 66 -14.564 1.903 7.890 1.00 0.00 C ATOM 887 O THR A 66 -14.405 2.520 8.943 1.00 0.00 O ATOM 888 CB THR A 66 -14.851 -0.482 8.578 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.346 -1.801 8.472 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.312 -0.515 8.187 1.00 0.00 C ATOM 0 H THR A 66 -12.440 0.809 9.073 1.00 0.00 H new ATOM 0 HA THR A 66 -14.086 0.193 6.689 1.00 0.00 H new ATOM 0 HB THR A 66 -14.775 -0.112 9.601 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.891 -2.405 9.019 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.843 -1.222 8.824 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.744 0.478 8.309 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.403 -0.825 7.146 1.00 0.00 H new ATOM 895 N SER A 67 -15.202 2.422 6.844 1.00 0.00 N ATOM 896 CA SER A 67 -15.752 3.770 6.896 1.00 0.00 C ATOM 897 C SER A 67 -16.754 3.998 5.774 1.00 0.00 C ATOM 898 O SER A 67 -16.772 3.269 4.786 1.00 0.00 O ATOM 899 CB SER A 67 -14.628 4.799 6.795 1.00 0.00 C ATOM 900 OG SER A 67 -14.522 5.562 7.984 1.00 0.00 O ATOM 0 H SER A 67 -15.349 1.935 5.960 1.00 0.00 H new ATOM 0 HA SER A 67 -16.269 3.885 7.849 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.683 4.291 6.600 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.813 5.462 5.950 1.00 0.00 H new ATOM 0 HG SER A 67 -13.591 5.839 8.113 1.00 0.00 H new ATOM 906 N ASP A 68 -17.576 5.029 5.927 1.00 0.00 N ATOM 907 CA ASP A 68 -18.572 5.363 4.919 1.00 0.00 C ATOM 908 C ASP A 68 -17.942 6.139 3.763 1.00 0.00 C ATOM 909 O ASP A 68 -18.645 6.596 2.861 1.00 0.00 O ATOM 910 CB ASP A 68 -19.704 6.180 5.544 1.00 0.00 C ATOM 911 CG ASP A 68 -21.071 5.736 5.062 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.572 4.706 5.560 1.00 0.00 O ATOM 913 OD2 ASP A 68 -21.642 6.419 4.185 1.00 0.00 O ATOM 0 H ASP A 68 -17.572 5.647 6.739 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.980 4.432 4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -19.657 6.090 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.562 7.234 5.305 1.00 0.00 H new ATOM 918 N ASP A 69 -16.617 6.290 3.791 1.00 0.00 N ATOM 919 CA ASP A 69 -15.915 7.014 2.741 1.00 0.00 C ATOM 920 C ASP A 69 -14.885 6.122 2.053 1.00 0.00 C ATOM 921 O ASP A 69 -13.786 5.910 2.560 1.00 0.00 O ATOM 922 CB ASP A 69 -15.236 8.256 3.318 1.00 0.00 C ATOM 923 CG ASP A 69 -16.179 9.440 3.405 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.037 9.585 2.509 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.060 10.223 4.371 1.00 0.00 O ATOM 0 H ASP A 69 -16.015 5.921 4.527 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.648 7.324 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.850 8.028 4.312 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.380 8.521 2.697 1.00 0.00 H new ATOM 930 N MET A 70 -15.269 5.600 0.895 1.00 0.00 N ATOM 931 CA MET A 70 -14.425 4.718 0.095 1.00 0.00 C ATOM 932 C MET A 70 -12.951 5.136 0.083 1.00 0.00 C ATOM 933 O MET A 70 -12.090 4.448 0.647 1.00 0.00 O ATOM 934 CB MET A 70 -14.965 4.687 -1.336 1.00 0.00 C ATOM 935 CG MET A 70 -15.598 3.360 -1.719 1.00 0.00 C ATOM 936 SD MET A 70 -14.816 2.600 -3.153 1.00 0.00 S ATOM 937 CE MET A 70 -13.378 1.858 -2.389 1.00 0.00 C ATOM 0 H MET A 70 -16.184 5.778 0.480 1.00 0.00 H new ATOM 0 HA MET A 70 -14.461 3.729 0.551 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.704 5.480 -1.454 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.151 4.905 -2.027 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.537 2.676 -0.873 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.657 3.515 -1.928 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.485 2.136 -2.949 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.288 2.213 -1.362 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.484 0.773 -2.390 1.00 0.00 H new ATOM 947 N TYR A 71 -12.660 6.245 -0.586 1.00 0.00 N ATOM 948 CA TYR A 71 -11.290 6.721 -0.700 1.00 0.00 C ATOM 949 C TYR A 71 -10.708 7.113 0.643 1.00 0.00 C ATOM 950 O TYR A 71 -9.497 7.061 0.823 1.00 0.00 O ATOM 951 CB TYR A 71 -11.196 7.857 -1.714 1.00 0.00 C ATOM 952 CG TYR A 71 -10.890 7.347 -3.107 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.169 6.027 -3.449 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.320 8.166 -4.072 1.00 0.00 C ATOM 955 CE1 TYR A 71 -10.891 5.537 -4.703 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.038 7.683 -5.337 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.324 6.367 -5.648 1.00 0.00 C ATOM 958 OH TYR A 71 -10.047 5.886 -6.907 1.00 0.00 O ATOM 0 H TYR A 71 -13.352 6.829 -1.056 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.683 5.893 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.135 8.410 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.419 8.556 -1.405 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.614 5.373 -2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.094 9.194 -3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.115 4.509 -4.947 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.596 8.332 -6.079 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.651 6.599 -7.450 1.00 0.00 H new ATOM 968 N LYS A 72 -11.565 7.458 1.597 1.00 0.00 N ATOM 969 CA LYS A 72 -11.092 7.798 2.931 1.00 0.00 C ATOM 970 C LYS A 72 -10.682 6.518 3.645 1.00 0.00 C ATOM 971 O LYS A 72 -9.681 6.479 4.353 1.00 0.00 O ATOM 972 CB LYS A 72 -12.160 8.503 3.725 1.00 0.00 C ATOM 973 CG LYS A 72 -11.659 9.101 5.030 1.00 0.00 C ATOM 974 CD LYS A 72 -12.810 9.452 5.960 1.00 0.00 C ATOM 975 CE LYS A 72 -12.936 8.450 7.096 1.00 0.00 C ATOM 976 NZ LYS A 72 -13.325 9.106 8.375 1.00 0.00 N ATOM 0 H LYS A 72 -12.576 7.509 1.474 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.241 8.473 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.590 9.296 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.962 7.798 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.993 8.393 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.073 9.996 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.656 10.450 6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.741 9.480 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.678 7.696 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.987 7.930 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.400 8.389 9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.604 9.808 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.243 9.581 8.257 1.00 0.00 H new ATOM 990 N ALA A 73 -11.452 5.451 3.416 1.00 0.00 N ATOM 991 CA ALA A 73 -11.144 4.154 3.995 1.00 0.00 C ATOM 992 C ALA A 73 -9.805 3.722 3.441 1.00 0.00 C ATOM 993 O ALA A 73 -8.895 3.338 4.177 1.00 0.00 O ATOM 994 CB ALA A 73 -12.229 3.138 3.663 1.00 0.00 C ATOM 0 H ALA A 73 -12.290 5.466 2.834 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.101 4.221 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.975 2.176 4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.183 3.481 4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.306 3.029 2.581 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.675 3.874 2.125 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.424 3.591 1.448 1.00 0.00 C ATOM 1002 C ILE A 74 -7.392 4.574 1.985 1.00 0.00 C ATOM 1003 O ILE A 74 -6.230 4.236 2.224 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.592 3.739 -0.084 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.189 2.458 -0.659 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.275 4.068 -0.776 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.522 2.662 -1.335 1.00 0.00 C ATOM 0 H ILE A 74 -10.425 4.192 1.511 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.103 2.566 1.634 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.268 4.574 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.489 2.031 -1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.306 1.730 0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.441 4.162 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.883 5.007 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.557 3.270 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.885 1.709 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.238 3.059 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.408 3.366 -2.160 1.00 0.00 H new ATOM 1011 N ASN A 75 -7.878 5.793 2.218 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.092 6.868 2.779 1.00 0.00 C ATOM 1013 C ASN A 75 -6.526 6.434 4.125 1.00 0.00 C ATOM 1014 O ASN A 75 -5.358 6.669 4.435 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.004 8.089 2.928 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.282 9.387 2.697 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.550 9.877 3.558 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.489 9.952 1.520 1.00 0.00 N ATOM 0 H ASN A 75 -8.843 6.055 2.016 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.253 7.121 2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.831 8.008 2.222 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.438 8.093 3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.033 10.835 1.291 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.105 9.505 0.841 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.373 5.773 4.908 1.00 0.00 N ATOM 1024 CA GLU A 76 -6.986 5.263 6.215 1.00 0.00 C ATOM 1025 C GLU A 76 -6.003 4.102 6.059 1.00 0.00 C ATOM 1026 O GLU A 76 -4.907 4.115 6.633 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.228 4.805 6.986 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.340 5.412 8.374 1.00 0.00 C ATOM 1029 CD GLU A 76 -7.595 4.608 9.423 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -7.874 3.398 9.552 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -6.732 5.190 10.114 1.00 0.00 O ATOM 0 H GLU A 76 -8.341 5.578 4.654 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.497 6.060 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.118 5.064 6.412 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.211 3.719 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.948 6.429 8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.391 5.481 8.653 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.394 3.100 5.265 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.542 1.941 5.020 1.00 0.00 C ATOM 1040 C VAL A 77 -4.139 2.385 4.661 1.00 0.00 C ATOM 1041 O VAL A 77 -3.158 1.959 5.273 1.00 0.00 O ATOM 1042 CB VAL A 77 -6.074 1.065 3.875 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.335 -0.264 3.833 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.565 0.852 4.021 1.00 0.00 C ATOM 0 H VAL A 77 -7.293 3.072 4.784 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.538 1.356 5.940 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.896 1.580 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.725 -0.871 3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.271 -0.084 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.478 -0.790 4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.926 0.230 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.771 0.357 4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.074 1.815 3.996 1.00 0.00 H new ATOM 1048 N GLU A 78 -4.052 3.259 3.662 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.768 3.771 3.225 1.00 0.00 C ATOM 1050 C GLU A 78 -2.032 4.385 4.405 1.00 0.00 C ATOM 1051 O GLU A 78 -0.809 4.300 4.504 1.00 0.00 O ATOM 1052 CB GLU A 78 -2.946 4.802 2.109 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.635 5.390 1.609 1.00 0.00 C ATOM 1054 CD GLU A 78 -1.580 6.899 1.750 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -1.888 7.405 2.850 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -1.230 7.575 0.760 1.00 0.00 O ATOM 0 H GLU A 78 -4.853 3.622 3.146 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.178 2.945 2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.467 4.335 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.583 5.610 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.808 4.947 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.497 5.122 0.562 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.796 4.982 5.316 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.220 5.582 6.507 1.00 0.00 C ATOM 1065 C GLU A 79 -1.603 4.494 7.369 1.00 0.00 C ATOM 1066 O GLU A 79 -0.497 4.649 7.887 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.284 6.348 7.295 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.760 7.612 7.957 1.00 0.00 C ATOM 1069 CD GLU A 79 -2.939 8.842 7.088 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -3.896 8.866 6.284 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -2.124 9.780 7.210 1.00 0.00 O ATOM 0 H GLU A 79 -3.811 5.061 5.249 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.447 6.291 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.101 6.612 6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.699 5.692 8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.277 7.763 8.905 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.702 7.485 8.188 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.314 3.375 7.494 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.813 2.247 8.267 1.00 0.00 C ATOM 1080 C LYS A 80 -0.561 1.693 7.599 1.00 0.00 C ATOM 1081 O LYS A 80 0.500 1.589 8.218 1.00 0.00 O ATOM 1082 CB LYS A 80 -2.874 1.150 8.372 1.00 0.00 C ATOM 1083 CG LYS A 80 -4.010 1.488 9.324 1.00 0.00 C ATOM 1084 CD LYS A 80 -3.592 1.316 10.775 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.765 0.898 11.649 1.00 0.00 C ATOM 1086 NZ LYS A 80 -4.792 1.643 12.937 1.00 0.00 N ATOM 0 H LYS A 80 -3.231 3.228 7.073 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.572 2.589 9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.286 0.960 7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.398 0.227 8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.332 2.516 9.157 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.866 0.847 9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.803 0.567 10.841 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.175 2.252 11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.697 1.069 11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.705 -0.172 11.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.606 1.329 13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.914 1.460 13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.875 2.662 12.747 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.699 1.353 6.321 1.00 0.00 N ATOM 1101 CA LEU A 81 0.414 0.822 5.539 1.00 0.00 C ATOM 1102 C LEU A 81 1.614 1.769 5.597 1.00 0.00 C ATOM 1103 O LEU A 81 2.750 1.332 5.800 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.024 0.590 4.082 1.00 0.00 C ATOM 1105 CG LEU A 81 0.034 -0.862 3.591 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.440 -1.211 3.133 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.434 -1.825 4.674 1.00 0.00 C ATOM 0 H LEU A 81 -1.574 1.436 5.803 1.00 0.00 H new ATOM 0 HA LEU A 81 0.715 -0.134 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.046 0.952 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.604 1.199 3.432 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.642 -0.960 2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.464 -2.245 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.732 -0.549 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.134 -1.090 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.383 -2.847 4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.207 -1.727 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.462 -1.591 4.949 1.00 0.00 H new ATOM 1113 N GLU A 82 1.360 3.070 5.436 1.00 0.00 N ATOM 1114 CA GLU A 82 2.434 4.057 5.490 1.00 0.00 C ATOM 1115 C GLU A 82 3.036 4.103 6.888 1.00 0.00 C ATOM 1116 O GLU A 82 4.257 4.053 7.052 1.00 0.00 O ATOM 1117 CB GLU A 82 1.916 5.438 5.088 1.00 0.00 C ATOM 1118 CG GLU A 82 2.981 6.330 4.474 1.00 0.00 C ATOM 1119 CD GLU A 82 2.489 7.062 3.241 1.00 0.00 C ATOM 1120 OE1 GLU A 82 1.977 6.394 2.318 1.00 0.00 O ATOM 1121 OE2 GLU A 82 2.614 8.304 3.198 1.00 0.00 O ATOM 0 H GLU A 82 0.432 3.458 5.269 1.00 0.00 H new ATOM 0 HA GLU A 82 3.210 3.763 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.099 5.318 4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.502 5.932 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.312 7.057 5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.849 5.725 4.211 1.00 0.00 H new ATOM 1128 N ARG A 83 2.171 4.178 7.897 1.00 0.00 N ATOM 1129 CA ARG A 83 2.624 4.205 9.283 1.00 0.00 C ATOM 1130 C ARG A 83 3.531 3.011 9.550 1.00 0.00 C ATOM 1131 O ARG A 83 4.630 3.156 10.089 1.00 0.00 O ATOM 1132 CB ARG A 83 1.428 4.185 10.239 1.00 0.00 C ATOM 1133 CG ARG A 83 1.144 5.531 10.886 1.00 0.00 C ATOM 1134 CD ARG A 83 2.059 5.783 12.075 1.00 0.00 C ATOM 1135 NE ARG A 83 3.106 6.754 11.763 1.00 0.00 N ATOM 1136 CZ ARG A 83 4.101 7.062 12.592 1.00 0.00 C ATOM 1137 NH1 ARG A 83 4.189 6.479 13.781 1.00 0.00 N ATOM 1138 NH2 ARG A 83 5.011 7.957 12.230 1.00 0.00 N ATOM 0 H ARG A 83 1.159 4.221 7.781 1.00 0.00 H new ATOM 0 HA ARG A 83 3.184 5.125 9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.542 3.860 9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.610 3.447 11.020 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.275 6.324 10.150 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.104 5.567 11.212 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.468 6.144 12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.516 4.844 12.386 1.00 0.00 H new ATOM 0 HE ARG A 83 3.072 7.223 10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.492 5.790 14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.954 6.719 14.412 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.948 8.408 11.317 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.774 8.194 12.864 1.00 0.00 H new ATOM 1152 N GLN A 84 3.070 1.833 9.140 1.00 0.00 N ATOM 1153 CA GLN A 84 3.846 0.613 9.305 1.00 0.00 C ATOM 1154 C GLN A 84 5.155 0.732 8.538 1.00 0.00 C ATOM 1155 O GLN A 84 6.216 0.345 9.030 1.00 0.00 O ATOM 1156 CB GLN A 84 3.055 -0.595 8.804 1.00 0.00 C ATOM 1157 CG GLN A 84 1.782 -0.858 9.585 1.00 0.00 C ATOM 1158 CD GLN A 84 0.743 -1.600 8.769 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.050 -2.585 8.098 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.497 -1.129 8.823 1.00 0.00 N ATOM 0 H GLN A 84 2.164 1.700 8.692 1.00 0.00 H new ATOM 0 HA GLN A 84 4.060 0.472 10.364 1.00 0.00 H new ATOM 0 HB2 GLN A 84 2.802 -0.442 7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.690 -1.480 8.853 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.020 -1.437 10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.364 0.090 9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.707 -0.309 9.393 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.240 -1.587 8.295 1.00 0.00 H new ATOM 1167 N LEU A 85 5.073 1.293 7.332 1.00 0.00 N ATOM 1168 CA LEU A 85 6.252 1.492 6.498 1.00 0.00 C ATOM 1169 C LEU A 85 7.288 2.316 7.254 1.00 0.00 C ATOM 1170 O LEU A 85 8.429 1.887 7.451 1.00 0.00 O ATOM 1171 CB LEU A 85 5.863 2.205 5.196 1.00 0.00 C ATOM 1172 CG LEU A 85 5.680 1.298 3.970 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.291 1.478 3.375 1.00 0.00 C ATOM 1174 CD2 LEU A 85 6.737 1.601 2.921 1.00 0.00 C ATOM 0 H LEU A 85 4.201 1.617 6.913 1.00 0.00 H new ATOM 0 HA LEU A 85 6.680 0.520 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.934 2.749 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.629 2.946 4.966 1.00 0.00 H new ATOM 0 HG LEU A 85 5.792 0.263 4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.180 0.828 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.539 1.220 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.158 2.516 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.592 0.949 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.651 2.641 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.728 1.430 3.343 1.00 0.00 H new ATOM 1180 N ASN A 86 6.874 3.498 7.696 1.00 0.00 N ATOM 1181 CA ASN A 86 7.755 4.378 8.448 1.00 0.00 C ATOM 1182 C ASN A 86 8.259 3.670 9.698 1.00 0.00 C ATOM 1183 O ASN A 86 9.438 3.749 10.037 1.00 0.00 O ATOM 1184 CB ASN A 86 7.022 5.666 8.832 1.00 0.00 C ATOM 1185 CG ASN A 86 7.956 6.858 8.919 1.00 0.00 C ATOM 1186 OD1 ASN A 86 7.829 7.632 9.991 1.00 0.00 O flip ATOM 1187 ND2 ASN A 86 8.782 7.080 8.034 1.00 0.00 N flip ATOM 0 H ASN A 86 5.935 3.867 7.546 1.00 0.00 H new ATOM 0 HA ASN A 86 8.608 4.637 7.820 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.243 5.871 8.097 1.00 0.00 H new ATOM 0 HB3 ASN A 86 6.525 5.526 9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.845 6.459 7.228 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.404 7.885 8.107 1.00 0.00 H new ATOM 1192 N LYS A 87 7.358 2.966 10.374 1.00 0.00 N ATOM 1193 CA LYS A 87 7.715 2.237 11.583 1.00 0.00 C ATOM 1194 C LYS A 87 8.771 1.179 11.297 1.00 0.00 C ATOM 1195 O LYS A 87 9.755 1.068 12.026 1.00 0.00 O ATOM 1196 CB LYS A 87 6.484 1.564 12.189 1.00 0.00 C ATOM 1197 CG LYS A 87 6.247 1.924 13.646 1.00 0.00 C ATOM 1198 CD LYS A 87 5.308 3.112 13.783 1.00 0.00 C ATOM 1199 CE LYS A 87 5.604 3.914 15.039 1.00 0.00 C ATOM 1200 NZ LYS A 87 6.949 4.551 14.987 1.00 0.00 N ATOM 0 H LYS A 87 6.377 2.885 10.105 1.00 0.00 H new ATOM 0 HA LYS A 87 8.121 2.960 12.291 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.605 1.842 11.607 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.593 0.483 12.104 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.827 1.065 14.170 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.199 2.155 14.124 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.404 3.755 12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.277 2.761 13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.843 4.683 15.166 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.545 3.260 15.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.946 5.417 15.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.661 3.890 15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.181 4.791 14.002 1.00 0.00 H new ATOM 1214 N LEU A 88 8.561 0.390 10.245 1.00 0.00 N ATOM 1215 CA LEU A 88 9.512 -0.656 9.913 1.00 0.00 C ATOM 1216 C LEU A 88 10.860 -0.056 9.548 1.00 0.00 C ATOM 1217 O LEU A 88 11.885 -0.406 10.134 1.00 0.00 O ATOM 1218 CB LEU A 88 8.976 -1.563 8.798 1.00 0.00 C ATOM 1219 CG LEU A 88 9.175 -1.093 7.356 1.00 0.00 C ATOM 1220 CD1 LEU A 88 10.520 -1.559 6.826 1.00 0.00 C ATOM 1221 CD2 LEU A 88 8.052 -1.623 6.481 1.00 0.00 C ATOM 0 H LEU A 88 7.756 0.456 9.622 1.00 0.00 H new ATOM 0 HA LEU A 88 9.652 -1.281 10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.447 -2.540 8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.908 -1.705 8.962 1.00 0.00 H new ATOM 0 HG LEU A 88 9.157 -0.003 7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.645 -1.216 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.317 -1.148 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.564 -2.648 6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.199 -1.285 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.053 -2.713 6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.096 -1.252 6.851 1.00 0.00 H new ATOM 1227 N GLN A 89 10.854 0.866 8.597 1.00 0.00 N ATOM 1228 CA GLN A 89 12.091 1.532 8.186 1.00 0.00 C ATOM 1229 C GLN A 89 12.725 2.234 9.384 1.00 0.00 C ATOM 1230 O GLN A 89 13.946 2.359 9.474 1.00 0.00 O ATOM 1231 CB GLN A 89 11.827 2.546 7.070 1.00 0.00 C ATOM 1232 CG GLN A 89 11.190 1.936 5.837 1.00 0.00 C ATOM 1233 CD GLN A 89 9.995 2.719 5.357 1.00 0.00 C ATOM 1234 OE1 GLN A 89 9.646 3.757 5.919 1.00 0.00 O ATOM 1235 NE2 GLN A 89 9.359 2.223 4.313 1.00 0.00 N ATOM 0 H GLN A 89 10.019 1.171 8.097 1.00 0.00 H new ATOM 0 HA GLN A 89 12.775 0.774 7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.178 3.334 7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.769 3.017 6.788 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.930 1.883 5.038 1.00 0.00 H new ATOM 0 HG3 GLN A 89 10.885 0.913 6.058 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.686 1.359 3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 89 8.541 2.703 3.939 1.00 0.00 H new ATOM 1242 N HIS A 90 11.877 2.677 10.308 1.00 0.00 N ATOM 1243 CA HIS A 90 12.331 3.354 11.517 1.00 0.00 C ATOM 1244 C HIS A 90 12.923 2.355 12.492 1.00 0.00 C ATOM 1245 O HIS A 90 13.951 2.608 13.120 1.00 0.00 O ATOM 1246 CB HIS A 90 11.159 4.066 12.191 1.00 0.00 C ATOM 1247 CG HIS A 90 10.860 5.421 11.624 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.363 6.460 12.383 1.00 0.00 N ATOM 1249 CD2 HIS A 90 10.995 5.909 10.366 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.204 7.526 11.619 1.00 0.00 C ATOM 1251 NE2 HIS A 90 10.581 7.218 10.392 1.00 0.00 N ATOM 0 H HIS A 90 10.864 2.578 10.240 1.00 0.00 H new ATOM 0 HA HIS A 90 13.092 4.081 11.235 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.269 3.442 12.103 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.373 4.168 13.255 1.00 0.00 H new ATOM 0 HD1 HIS A 90 10.151 6.413 13.380 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.360 5.369 9.505 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.829 8.486 11.943 1.00 0.00 H new