USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 860 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 92 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -1.55 F(o=-2.1,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0434 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.54 K(o=-1.5,f=-11!) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.0001) USER MOD Single : A 22 ASN : amide:sc= -0.0134 K(o=-0.013,f=-1.4!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.451! USER MOD Single : A 27 ASN : amide:sc= -5.56! C(o=-5.6!,f=-5.3!) USER MOD Single : A 29 LYS NZ :NH3+ 136:sc= -2.58 (180deg=-5.76!) USER MOD Single : A 33 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.9!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 0:sc= -1.48 USER MOD Single : A 37 GLN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.04) USER MOD Single : A 45 TYR OH : rot 15:sc= -2.96! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -1.36 F(o=-2,f=-1.4) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -3.56 F(o=-5.6!,f=-3.6) USER MOD Single : A 55 ASN : amide:sc= -0.109 K(o=-0.11,f=-1.8!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0169 USER MOD Single : A 62 MET CE :methyl -168:sc= -6.78! (180deg=-7.81!) USER MOD Single : A 63 THR OG1 : rot 130:sc= -0.439 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -146:sc= 0.399 (180deg=0.0478) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.63 K(o=-1.6,f=-14!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -5.95! C(o=-6!,f=-17!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 70:sc= -3.41 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-7.8!) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.058 -31.252 -23.808 1.00 0.00 N ATOM 2 CA GLY A 1 -16.892 -32.516 -23.110 1.00 0.00 C ATOM 3 C GLY A 1 -15.420 -32.774 -22.785 1.00 0.00 C ATOM 4 O GLY A 1 -14.644 -31.834 -22.615 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.848 -30.724 -23.386 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.185 -30.693 -23.726 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.260 -31.434 -24.812 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.475 -32.506 -22.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.280 -33.328 -23.724 1.00 0.00 H new ATOM 8 N SER A 2 -15.079 -34.052 -22.709 1.00 0.00 N ATOM 9 CA SER A 2 -13.713 -34.445 -22.407 1.00 0.00 C ATOM 10 C SER A 2 -13.286 -33.861 -21.059 1.00 0.00 C ATOM 11 O SER A 2 -13.001 -32.669 -20.957 1.00 0.00 O ATOM 12 CB SER A 2 -12.753 -33.993 -23.509 1.00 0.00 C ATOM 13 OG SER A 2 -12.411 -35.059 -24.390 1.00 0.00 O ATOM 0 H SER A 2 -15.725 -34.829 -22.851 1.00 0.00 H new ATOM 0 HA SER A 2 -13.675 -35.533 -22.353 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.211 -33.184 -24.079 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.846 -33.591 -23.057 1.00 0.00 H new ATOM 0 HG SER A 2 -11.798 -34.729 -25.080 1.00 0.00 H new ATOM 19 N SER A 3 -13.254 -34.728 -20.058 1.00 0.00 N ATOM 20 CA SER A 3 -12.867 -34.313 -18.720 1.00 0.00 C ATOM 21 C SER A 3 -11.963 -35.372 -18.085 1.00 0.00 C ATOM 22 O SER A 3 -11.904 -36.506 -18.557 1.00 0.00 O ATOM 23 CB SER A 3 -14.095 -34.068 -17.842 1.00 0.00 C ATOM 24 OG SER A 3 -13.748 -33.482 -16.590 1.00 0.00 O ATOM 0 H SER A 3 -13.490 -35.716 -20.146 1.00 0.00 H new ATOM 0 HA SER A 3 -12.318 -33.375 -18.799 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.792 -33.415 -18.367 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.612 -35.012 -17.670 1.00 0.00 H new ATOM 0 HG SER A 3 -14.559 -33.340 -16.059 1.00 0.00 H new ATOM 30 N GLY A 4 -11.282 -34.964 -17.024 1.00 0.00 N ATOM 31 CA GLY A 4 -10.384 -35.863 -16.320 1.00 0.00 C ATOM 32 C GLY A 4 -9.523 -35.100 -15.312 1.00 0.00 C ATOM 33 O GLY A 4 -8.415 -34.674 -15.634 1.00 0.00 O ATOM 0 H GLY A 4 -11.334 -34.023 -16.635 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.962 -36.629 -15.803 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.743 -36.377 -17.036 1.00 0.00 H new ATOM 37 N SER A 5 -10.065 -34.950 -14.112 1.00 0.00 N ATOM 38 CA SER A 5 -9.359 -34.245 -13.055 1.00 0.00 C ATOM 39 C SER A 5 -9.044 -35.205 -11.907 1.00 0.00 C ATOM 40 O SER A 5 -9.941 -35.850 -11.368 1.00 0.00 O ATOM 41 CB SER A 5 -10.177 -33.057 -12.545 1.00 0.00 C ATOM 42 OG SER A 5 -9.798 -31.837 -13.177 1.00 0.00 O ATOM 0 H SER A 5 -10.984 -35.304 -13.848 1.00 0.00 H new ATOM 0 HA SER A 5 -8.425 -33.859 -13.464 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.236 -33.243 -12.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.046 -32.963 -11.467 1.00 0.00 H new ATOM 0 HG SER A 5 -10.344 -31.103 -12.826 1.00 0.00 H new ATOM 48 N SER A 6 -7.765 -35.269 -11.566 1.00 0.00 N ATOM 49 CA SER A 6 -7.320 -36.139 -10.491 1.00 0.00 C ATOM 50 C SER A 6 -7.272 -35.362 -9.174 1.00 0.00 C ATOM 51 O SER A 6 -6.738 -34.255 -9.121 1.00 0.00 O ATOM 52 CB SER A 6 -5.948 -36.740 -10.801 1.00 0.00 C ATOM 53 OG SER A 6 -4.898 -35.792 -10.630 1.00 0.00 O ATOM 0 H SER A 6 -7.023 -34.732 -12.015 1.00 0.00 H new ATOM 0 HA SER A 6 -8.033 -36.958 -10.397 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.772 -37.597 -10.150 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.938 -37.111 -11.826 1.00 0.00 H new ATOM 0 HG SER A 6 -4.038 -36.215 -10.836 1.00 0.00 H new ATOM 59 N GLY A 7 -7.839 -35.971 -8.143 1.00 0.00 N ATOM 60 CA GLY A 7 -7.869 -35.351 -6.830 1.00 0.00 C ATOM 61 C GLY A 7 -9.085 -34.434 -6.684 1.00 0.00 C ATOM 62 O GLY A 7 -9.297 -33.542 -7.504 1.00 0.00 O ATOM 0 H GLY A 7 -8.282 -36.889 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.896 -36.122 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.956 -34.777 -6.674 1.00 0.00 H new ATOM 66 N LEU A 8 -9.853 -34.685 -5.633 1.00 0.00 N ATOM 67 CA LEU A 8 -11.042 -33.894 -5.369 1.00 0.00 C ATOM 68 C LEU A 8 -10.867 -33.144 -4.048 1.00 0.00 C ATOM 69 O LEU A 8 -10.798 -33.759 -2.985 1.00 0.00 O ATOM 70 CB LEU A 8 -12.293 -34.775 -5.416 1.00 0.00 C ATOM 71 CG LEU A 8 -12.143 -36.184 -4.838 1.00 0.00 C ATOM 72 CD1 LEU A 8 -13.497 -36.743 -4.397 1.00 0.00 C ATOM 73 CD2 LEU A 8 -11.436 -37.110 -5.830 1.00 0.00 C ATOM 0 H LEU A 8 -9.674 -35.425 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 8 -11.180 -33.143 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.092 -34.266 -4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.613 -34.862 -6.454 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.515 -36.124 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.362 -37.745 -3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.926 -36.096 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.169 -36.787 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.342 -38.105 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.017 -37.170 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.444 -36.716 -6.052 1.00 0.00 H new ATOM 85 N GLU A 9 -10.801 -31.825 -4.157 1.00 0.00 N ATOM 86 CA GLU A 9 -10.635 -30.984 -2.984 1.00 0.00 C ATOM 87 C GLU A 9 -11.363 -29.652 -3.178 1.00 0.00 C ATOM 88 O GLU A 9 -10.760 -28.587 -3.055 1.00 0.00 O ATOM 89 CB GLU A 9 -9.154 -30.759 -2.675 1.00 0.00 C ATOM 90 CG GLU A 9 -8.462 -30.017 -3.820 1.00 0.00 C ATOM 91 CD GLU A 9 -6.945 -30.214 -3.765 1.00 0.00 C ATOM 92 OE1 GLU A 9 -6.507 -31.339 -4.090 1.00 0.00 O ATOM 93 OE2 GLU A 9 -6.259 -29.236 -3.398 1.00 0.00 O ATOM 0 H GLU A 9 -10.860 -31.318 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.077 -31.496 -2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.054 -30.186 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.663 -31.718 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.845 -30.377 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.696 -28.954 -3.763 1.00 0.00 H new ATOM 100 N SER A 10 -12.650 -29.756 -3.478 1.00 0.00 N ATOM 101 CA SER A 10 -13.466 -28.573 -3.690 1.00 0.00 C ATOM 102 C SER A 10 -13.465 -27.704 -2.431 1.00 0.00 C ATOM 103 O SER A 10 -14.358 -27.818 -1.593 1.00 0.00 O ATOM 104 CB SER A 10 -14.899 -28.954 -4.071 1.00 0.00 C ATOM 105 OG SER A 10 -14.998 -29.364 -5.432 1.00 0.00 O ATOM 0 H SER A 10 -13.147 -30.641 -3.579 1.00 0.00 H new ATOM 0 HA SER A 10 -13.037 -28.005 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.244 -29.760 -3.423 1.00 0.00 H new ATOM 0 HB3 SER A 10 -15.558 -28.103 -3.900 1.00 0.00 H new ATOM 0 HG SER A 10 -15.927 -29.600 -5.636 1.00 0.00 H new ATOM 111 N GLU A 11 -12.453 -26.854 -2.339 1.00 0.00 N ATOM 112 CA GLU A 11 -12.324 -25.966 -1.196 1.00 0.00 C ATOM 113 C GLU A 11 -11.924 -24.563 -1.658 1.00 0.00 C ATOM 114 O GLU A 11 -10.975 -24.404 -2.423 1.00 0.00 O ATOM 115 CB GLU A 11 -11.318 -26.517 -0.184 1.00 0.00 C ATOM 116 CG GLU A 11 -9.899 -26.498 -0.755 1.00 0.00 C ATOM 117 CD GLU A 11 -8.918 -27.197 0.190 1.00 0.00 C ATOM 118 OE1 GLU A 11 -9.125 -28.407 0.428 1.00 0.00 O ATOM 119 OE2 GLU A 11 -7.985 -26.506 0.652 1.00 0.00 O ATOM 0 H GLU A 11 -11.715 -26.761 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.292 -25.902 -0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.354 -25.924 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.591 -27.537 0.087 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.888 -26.991 -1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.582 -25.468 -0.917 1.00 0.00 H new ATOM 126 N GLU A 12 -12.669 -23.580 -1.172 1.00 0.00 N ATOM 127 CA GLU A 12 -12.405 -22.196 -1.525 1.00 0.00 C ATOM 128 C GLU A 12 -11.361 -21.597 -0.580 1.00 0.00 C ATOM 129 O GLU A 12 -11.522 -20.475 -0.103 1.00 0.00 O ATOM 130 CB GLU A 12 -13.693 -21.371 -1.512 1.00 0.00 C ATOM 131 CG GLU A 12 -14.727 -21.955 -2.477 1.00 0.00 C ATOM 132 CD GLU A 12 -16.144 -21.526 -2.087 1.00 0.00 C ATOM 133 OE1 GLU A 12 -16.547 -20.429 -2.531 1.00 0.00 O ATOM 134 OE2 GLU A 12 -16.791 -22.305 -1.354 1.00 0.00 O ATOM 0 H GLU A 12 -13.455 -23.715 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.006 -22.170 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.104 -21.348 -0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.472 -20.340 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.510 -21.624 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.659 -23.043 -2.474 1.00 0.00 H new ATOM 141 N VAL A 13 -10.314 -22.373 -0.338 1.00 0.00 N ATOM 142 CA VAL A 13 -9.245 -21.933 0.542 1.00 0.00 C ATOM 143 C VAL A 13 -7.895 -22.223 -0.119 1.00 0.00 C ATOM 144 O VAL A 13 -7.817 -23.012 -1.059 1.00 0.00 O ATOM 145 CB VAL A 13 -9.392 -22.593 1.915 1.00 0.00 C ATOM 146 CG1 VAL A 13 -9.539 -24.110 1.781 1.00 0.00 C ATOM 147 CG2 VAL A 13 -8.215 -22.234 2.824 1.00 0.00 C ATOM 0 H VAL A 13 -10.184 -23.303 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.303 -20.857 0.706 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.301 -22.208 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.642 -24.554 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.424 -24.339 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.656 -24.519 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.344 -22.716 3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.286 -22.577 2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.176 -21.153 2.958 1.00 0.00 H new ATOM 157 N ASP A 14 -6.866 -21.569 0.399 1.00 0.00 N ATOM 158 CA ASP A 14 -5.524 -21.747 -0.129 1.00 0.00 C ATOM 159 C ASP A 14 -4.527 -21.798 1.031 1.00 0.00 C ATOM 160 O ASP A 14 -4.004 -20.767 1.450 1.00 0.00 O ATOM 161 CB ASP A 14 -5.131 -20.581 -1.039 1.00 0.00 C ATOM 162 CG ASP A 14 -5.514 -20.752 -2.510 1.00 0.00 C ATOM 163 OD1 ASP A 14 -4.732 -21.412 -3.227 1.00 0.00 O ATOM 164 OD2 ASP A 14 -6.581 -20.218 -2.884 1.00 0.00 O ATOM 0 H ASP A 14 -6.934 -20.915 1.179 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.507 -22.674 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.598 -19.671 -0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.053 -20.437 -0.974 1.00 0.00 H new ATOM 169 N LEU A 15 -4.295 -23.009 1.515 1.00 0.00 N ATOM 170 CA LEU A 15 -3.370 -23.208 2.618 1.00 0.00 C ATOM 171 C LEU A 15 -3.661 -22.182 3.715 1.00 0.00 C ATOM 172 O LEU A 15 -4.680 -21.494 3.671 1.00 0.00 O ATOM 173 CB LEU A 15 -1.924 -23.179 2.117 1.00 0.00 C ATOM 174 CG LEU A 15 -1.230 -24.537 1.991 1.00 0.00 C ATOM 175 CD1 LEU A 15 -1.080 -25.205 3.359 1.00 0.00 C ATOM 176 CD2 LEU A 15 -1.961 -25.435 0.992 1.00 0.00 C ATOM 0 H LEU A 15 -4.731 -23.862 1.164 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.511 -24.195 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.908 -22.693 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.339 -22.556 2.793 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.225 -24.373 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.584 -26.168 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.484 -24.567 4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.065 -25.356 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.447 -26.394 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.985 -25.596 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.972 -24.956 0.013 1.00 0.00 H new ATOM 188 N ASN A 16 -2.749 -22.111 4.673 1.00 0.00 N ATOM 189 CA ASN A 16 -2.895 -21.180 5.779 1.00 0.00 C ATOM 190 C ASN A 16 -2.679 -19.753 5.271 1.00 0.00 C ATOM 191 O ASN A 16 -3.243 -18.805 5.814 1.00 0.00 O ATOM 192 CB ASN A 16 -1.860 -21.456 6.871 1.00 0.00 C ATOM 193 CG ASN A 16 -0.469 -21.661 6.269 1.00 0.00 C ATOM 194 OD1 ASN A 16 -0.213 -21.361 5.114 1.00 0.00 O ATOM 195 ND2 ASN A 16 0.413 -22.188 7.113 1.00 0.00 N ATOM 0 H ASN A 16 -1.905 -22.683 4.706 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.896 -21.302 6.193 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.837 -20.623 7.574 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.150 -22.342 7.436 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.370 -22.364 6.807 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.133 -22.416 8.067 1.00 0.00 H new ATOM 202 N ALA A 17 -1.860 -19.646 4.235 1.00 0.00 N ATOM 203 CA ALA A 17 -1.562 -18.351 3.648 1.00 0.00 C ATOM 204 C ALA A 17 -2.840 -17.512 3.597 1.00 0.00 C ATOM 205 O ALA A 17 -2.900 -16.429 4.175 1.00 0.00 O ATOM 206 CB ALA A 17 -0.938 -18.548 2.265 1.00 0.00 C ATOM 0 H ALA A 17 -1.394 -20.435 3.787 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.838 -17.811 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.715 -17.576 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.017 -19.124 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.637 -19.085 1.624 1.00 0.00 H new ATOM 212 N GLY A 18 -3.832 -18.046 2.899 1.00 0.00 N ATOM 213 CA GLY A 18 -5.106 -17.360 2.765 1.00 0.00 C ATOM 214 C GLY A 18 -5.523 -16.714 4.087 1.00 0.00 C ATOM 215 O GLY A 18 -5.716 -15.501 4.156 1.00 0.00 O ATOM 0 H GLY A 18 -3.779 -18.945 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.032 -16.597 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.871 -18.067 2.444 1.00 0.00 H new ATOM 219 N LEU A 19 -5.649 -17.552 5.105 1.00 0.00 N ATOM 220 CA LEU A 19 -6.039 -17.078 6.422 1.00 0.00 C ATOM 221 C LEU A 19 -5.133 -15.914 6.829 1.00 0.00 C ATOM 222 O LEU A 19 -5.611 -14.808 7.075 1.00 0.00 O ATOM 223 CB LEU A 19 -6.047 -18.232 7.426 1.00 0.00 C ATOM 224 CG LEU A 19 -7.323 -19.076 7.468 1.00 0.00 C ATOM 225 CD1 LEU A 19 -7.061 -20.432 8.126 1.00 0.00 C ATOM 226 CD2 LEU A 19 -8.460 -18.316 8.154 1.00 0.00 C ATOM 0 H LEU A 19 -5.488 -18.557 5.044 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.060 -16.696 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.207 -18.890 7.200 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.873 -17.823 8.421 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.638 -19.271 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.984 -21.012 8.143 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.303 -20.972 7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.709 -20.279 9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.355 -18.938 8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.169 -18.071 9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.667 -17.397 7.605 1.00 0.00 H new ATOM 238 N HIS A 20 -3.842 -16.204 6.888 1.00 0.00 N ATOM 239 CA HIS A 20 -2.864 -15.196 7.261 1.00 0.00 C ATOM 240 C HIS A 20 -3.211 -13.869 6.582 1.00 0.00 C ATOM 241 O HIS A 20 -3.606 -12.912 7.247 1.00 0.00 O ATOM 242 CB HIS A 20 -1.445 -15.671 6.944 1.00 0.00 C ATOM 243 CG HIS A 20 -0.874 -16.625 7.966 1.00 0.00 C ATOM 244 ND1 HIS A 20 0.240 -16.326 8.731 1.00 0.00 N ATOM 245 CD2 HIS A 20 -1.275 -17.873 8.342 1.00 0.00 C ATOM 246 CE1 HIS A 20 0.490 -17.355 9.526 1.00 0.00 C ATOM 247 NE2 HIS A 20 -0.450 -18.314 9.284 1.00 0.00 N ATOM 0 H HIS A 20 -3.450 -17.123 6.684 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.897 -15.033 8.338 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.445 -16.157 5.968 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.791 -14.803 6.867 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.121 -18.412 7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.297 -17.423 10.241 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.509 -19.220 9.750 1.00 0.00 H new ATOM 255 N GLY A 21 -3.050 -13.855 5.267 1.00 0.00 N ATOM 256 CA GLY A 21 -3.342 -12.661 4.491 1.00 0.00 C ATOM 257 C GLY A 21 -2.420 -12.561 3.274 1.00 0.00 C ATOM 258 O GLY A 21 -1.243 -12.231 3.408 1.00 0.00 O ATOM 0 H GLY A 21 -2.721 -14.650 4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.382 -12.680 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.221 -11.777 5.117 1.00 0.00 H new ATOM 262 N ASN A 22 -2.991 -12.851 2.114 1.00 0.00 N ATOM 263 CA ASN A 22 -2.235 -12.798 0.874 1.00 0.00 C ATOM 264 C ASN A 22 -2.339 -11.392 0.279 1.00 0.00 C ATOM 265 O ASN A 22 -2.909 -11.210 -0.796 1.00 0.00 O ATOM 266 CB ASN A 22 -2.790 -13.788 -0.152 1.00 0.00 C ATOM 267 CG ASN A 22 -2.014 -15.106 -0.118 1.00 0.00 C ATOM 268 OD1 ASN A 22 -2.316 -16.015 0.637 1.00 0.00 O ATOM 269 ND2 ASN A 22 -0.999 -15.158 -0.976 1.00 0.00 N ATOM 0 H ASN A 22 -3.968 -13.123 2.007 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.200 -13.054 1.098 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.844 -13.977 0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.732 -13.354 -1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.419 -15.995 -1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.801 -14.361 -1.580 1.00 0.00 H new ATOM 276 N TRP A 23 -1.779 -10.434 1.003 1.00 0.00 N ATOM 277 CA TRP A 23 -1.801 -9.051 0.561 1.00 0.00 C ATOM 278 C TRP A 23 -0.405 -8.696 0.046 1.00 0.00 C ATOM 279 O TRP A 23 0.596 -9.018 0.685 1.00 0.00 O ATOM 280 CB TRP A 23 -2.279 -8.124 1.680 1.00 0.00 C ATOM 281 CG TRP A 23 -3.795 -8.133 1.891 1.00 0.00 C ATOM 282 CD1 TRP A 23 -4.467 -8.282 3.041 1.00 0.00 C ATOM 283 CD2 TRP A 23 -4.805 -7.978 0.873 1.00 0.00 C ATOM 284 NE1 TRP A 23 -5.831 -8.236 2.838 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.043 -8.044 1.478 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.677 -7.787 -0.515 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.248 -7.930 0.774 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.890 -7.675 -1.204 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.145 -7.740 -0.609 1.00 0.00 C ATOM 0 H TRP A 23 -1.307 -10.589 1.894 1.00 0.00 H new ATOM 0 HA TRP A 23 -2.516 -8.918 -0.251 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.791 -8.413 2.611 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -1.960 -7.106 1.456 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.000 -8.421 4.005 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.551 -8.326 3.554 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.719 -7.731 -1.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.205 -7.986 1.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.848 -7.528 -2.273 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -8.036 -7.644 -1.211 1.00 0.00 H new ATOM 300 N THR A 24 -0.382 -8.037 -1.103 1.00 0.00 N ATOM 301 CA THR A 24 0.876 -7.636 -1.710 1.00 0.00 C ATOM 302 C THR A 24 0.853 -6.143 -2.047 1.00 0.00 C ATOM 303 O THR A 24 -0.193 -5.598 -2.395 1.00 0.00 O ATOM 304 CB THR A 24 1.120 -8.529 -2.928 1.00 0.00 C ATOM 305 OG1 THR A 24 0.796 -7.698 -4.039 1.00 0.00 O ATOM 306 CG2 THR A 24 0.117 -9.681 -3.019 1.00 0.00 C ATOM 0 H THR A 24 -1.214 -7.771 -1.630 1.00 0.00 H new ATOM 0 HA THR A 24 1.708 -7.770 -1.019 1.00 0.00 H new ATOM 0 HB THR A 24 2.132 -8.931 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.928 -8.198 -4.871 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.334 -10.284 -3.901 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.194 -10.302 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.893 -9.279 -3.095 1.00 0.00 H new ATOM 314 N LEU A 25 2.019 -5.525 -1.931 1.00 0.00 N ATOM 315 CA LEU A 25 2.146 -4.107 -2.218 1.00 0.00 C ATOM 316 C LEU A 25 1.556 -3.816 -3.600 1.00 0.00 C ATOM 317 O LEU A 25 0.761 -2.891 -3.757 1.00 0.00 O ATOM 318 CB LEU A 25 3.600 -3.657 -2.063 1.00 0.00 C ATOM 319 CG LEU A 25 4.020 -3.218 -0.659 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.539 -3.297 -0.492 1.00 0.00 C ATOM 321 CD2 LEU A 25 3.479 -1.825 -0.335 1.00 0.00 C ATOM 0 H LEU A 25 2.885 -5.981 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 25 1.576 -3.520 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.248 -4.476 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.779 -2.829 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 25 3.581 -3.908 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.811 -2.980 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.870 -4.323 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.020 -2.644 -1.221 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.792 -1.537 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.868 -1.107 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.390 -1.837 -0.386 1.00 0.00 H new ATOM 333 N GLU A 26 1.968 -4.624 -4.566 1.00 0.00 N ATOM 334 CA GLU A 26 1.490 -4.465 -5.929 1.00 0.00 C ATOM 335 C GLU A 26 -0.032 -4.612 -5.979 1.00 0.00 C ATOM 336 O GLU A 26 -0.736 -3.688 -6.382 1.00 0.00 O ATOM 337 CB GLU A 26 2.169 -5.464 -6.868 1.00 0.00 C ATOM 338 CG GLU A 26 3.369 -4.828 -7.571 1.00 0.00 C ATOM 339 CD GLU A 26 2.951 -4.186 -8.896 1.00 0.00 C ATOM 340 OE1 GLU A 26 1.939 -3.453 -8.877 1.00 0.00 O ATOM 341 OE2 GLU A 26 3.653 -4.444 -9.898 1.00 0.00 O ATOM 0 H GLU A 26 2.627 -5.391 -4.432 1.00 0.00 H new ATOM 0 HA GLU A 26 1.749 -3.463 -6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.495 -6.336 -6.302 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.452 -5.815 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.817 -4.075 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.131 -5.585 -7.754 1.00 0.00 H new ATOM 348 N ASN A 27 -0.495 -5.782 -5.563 1.00 0.00 N ATOM 349 CA ASN A 27 -1.920 -6.062 -5.555 1.00 0.00 C ATOM 350 C ASN A 27 -2.652 -4.943 -4.812 1.00 0.00 C ATOM 351 O ASN A 27 -3.452 -4.220 -5.403 1.00 0.00 O ATOM 352 CB ASN A 27 -2.219 -7.380 -4.837 1.00 0.00 C ATOM 353 CG ASN A 27 -3.445 -7.246 -3.931 1.00 0.00 C ATOM 354 OD1 ASN A 27 -3.344 -7.014 -2.738 1.00 0.00 O ATOM 355 ND2 ASN A 27 -4.604 -7.404 -4.563 1.00 0.00 N ATOM 0 H ASN A 27 0.092 -6.547 -5.229 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.255 -6.131 -6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.389 -8.167 -5.571 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.355 -7.679 -4.244 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.481 -7.333 -4.046 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.617 -7.596 -5.565 1.00 0.00 H new ATOM 362 N ALA A 28 -2.351 -4.835 -3.526 1.00 0.00 N ATOM 363 CA ALA A 28 -2.970 -3.816 -2.695 1.00 0.00 C ATOM 364 C ALA A 28 -3.210 -2.558 -3.533 1.00 0.00 C ATOM 365 O ALA A 28 -4.318 -2.025 -3.556 1.00 0.00 O ATOM 366 CB ALA A 28 -2.086 -3.544 -1.476 1.00 0.00 C ATOM 0 H ALA A 28 -1.687 -5.436 -3.039 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.937 -4.157 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.551 -2.780 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.970 -4.461 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.107 -3.197 -1.807 1.00 0.00 H new ATOM 372 N LYS A 29 -2.152 -2.120 -4.201 1.00 0.00 N ATOM 373 CA LYS A 29 -2.234 -0.935 -5.038 1.00 0.00 C ATOM 374 C LYS A 29 -3.446 -1.052 -5.964 1.00 0.00 C ATOM 375 O LYS A 29 -4.315 -0.182 -5.969 1.00 0.00 O ATOM 376 CB LYS A 29 -0.914 -0.709 -5.777 1.00 0.00 C ATOM 377 CG LYS A 29 -0.246 0.590 -5.323 1.00 0.00 C ATOM 378 CD LYS A 29 -0.756 1.782 -6.136 1.00 0.00 C ATOM 379 CE LYS A 29 0.001 3.060 -5.768 1.00 0.00 C ATOM 380 NZ LYS A 29 0.857 3.497 -6.894 1.00 0.00 N ATOM 0 H LYS A 29 -1.234 -2.564 -4.179 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.386 -0.046 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.244 -1.549 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.096 -0.672 -6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.446 0.755 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.835 0.505 -5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.638 1.578 -7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.822 1.921 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.707 3.849 -5.514 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.614 2.885 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.765 4.525 -7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.849 3.261 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.560 3.012 -7.765 1.00 0.00 H new ATOM 394 N ALA A 30 -3.466 -2.137 -6.725 1.00 0.00 N ATOM 395 CA ALA A 30 -4.557 -2.379 -7.654 1.00 0.00 C ATOM 396 C ALA A 30 -5.862 -2.535 -6.871 1.00 0.00 C ATOM 397 O ALA A 30 -6.807 -1.776 -7.076 1.00 0.00 O ATOM 398 CB ALA A 30 -4.237 -3.609 -8.506 1.00 0.00 C ATOM 0 H ALA A 30 -2.744 -2.858 -6.717 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.679 -1.535 -8.333 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.055 -3.791 -9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.317 -3.436 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.111 -4.477 -7.859 1.00 0.00 H new ATOM 404 N ARG A 31 -5.872 -3.525 -5.990 1.00 0.00 N ATOM 405 CA ARG A 31 -7.045 -3.790 -5.175 1.00 0.00 C ATOM 406 C ARG A 31 -7.683 -2.476 -4.721 1.00 0.00 C ATOM 407 O ARG A 31 -8.892 -2.289 -4.857 1.00 0.00 O ATOM 408 CB ARG A 31 -6.685 -4.626 -3.946 1.00 0.00 C ATOM 409 CG ARG A 31 -7.944 -5.137 -3.242 1.00 0.00 C ATOM 410 CD ARG A 31 -8.465 -6.412 -3.908 1.00 0.00 C ATOM 411 NE ARG A 31 -9.837 -6.705 -3.436 1.00 0.00 N ATOM 412 CZ ARG A 31 -10.714 -7.467 -4.104 1.00 0.00 C ATOM 413 NH1 ARG A 31 -10.368 -8.017 -5.275 1.00 0.00 N ATOM 414 NH2 ARG A 31 -11.937 -7.678 -3.599 1.00 0.00 N ATOM 0 H ARG A 31 -5.086 -4.153 -5.823 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.753 -4.350 -5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.064 -5.470 -4.245 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.095 -4.026 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.724 -5.334 -2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.716 -4.368 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.462 -6.294 -4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.806 -7.249 -3.677 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.133 -6.302 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.437 -7.856 -5.659 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.036 -8.597 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.200 -7.259 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.605 -8.258 -4.107 1.00 0.00 H new ATOM 428 N LEU A 32 -6.844 -1.600 -4.189 1.00 0.00 N ATOM 429 CA LEU A 32 -7.311 -0.309 -3.714 1.00 0.00 C ATOM 430 C LEU A 32 -8.118 0.375 -4.819 1.00 0.00 C ATOM 431 O LEU A 32 -9.290 0.697 -4.627 1.00 0.00 O ATOM 432 CB LEU A 32 -6.138 0.529 -3.200 1.00 0.00 C ATOM 433 CG LEU A 32 -6.507 1.815 -2.458 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.298 1.506 -1.186 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.263 2.658 -2.170 1.00 0.00 C ATOM 0 H LEU A 32 -5.843 -1.759 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.980 -0.435 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.538 -0.092 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.505 0.791 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.155 2.408 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.548 2.437 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.215 0.978 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.696 0.882 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.553 3.566 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.570 2.085 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.778 2.924 -3.109 1.00 0.00 H new ATOM 447 N ASN A 33 -7.460 0.577 -5.950 1.00 0.00 N ATOM 448 CA ASN A 33 -8.102 1.217 -7.086 1.00 0.00 C ATOM 449 C ASN A 33 -9.412 0.492 -7.401 1.00 0.00 C ATOM 450 O ASN A 33 -10.383 1.114 -7.828 1.00 0.00 O ATOM 451 CB ASN A 33 -7.214 1.151 -8.330 1.00 0.00 C ATOM 452 CG ASN A 33 -6.476 2.474 -8.548 1.00 0.00 C ATOM 453 OD1 ASN A 33 -6.454 3.350 -7.698 1.00 0.00 O ATOM 454 ND2 ASN A 33 -5.876 2.570 -9.730 1.00 0.00 N ATOM 0 H ASN A 33 -6.488 0.309 -6.105 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.283 2.260 -6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.492 0.341 -8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.823 0.922 -9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -5.357 3.414 -9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.934 1.799 -10.395 1.00 0.00 H new ATOM 461 N GLN A 34 -9.396 -0.814 -7.178 1.00 0.00 N ATOM 462 CA GLN A 34 -10.571 -1.631 -7.433 1.00 0.00 C ATOM 463 C GLN A 34 -11.700 -1.250 -6.474 1.00 0.00 C ATOM 464 O GLN A 34 -12.826 -1.003 -6.903 1.00 0.00 O ATOM 465 CB GLN A 34 -10.237 -3.120 -7.323 1.00 0.00 C ATOM 466 CG GLN A 34 -10.119 -3.759 -8.708 1.00 0.00 C ATOM 467 CD GLN A 34 -11.173 -4.852 -8.900 1.00 0.00 C ATOM 468 OE1 GLN A 34 -10.906 -6.036 -8.779 1.00 0.00 O ATOM 469 NE2 GLN A 34 -12.382 -4.390 -9.204 1.00 0.00 N ATOM 0 H GLN A 34 -8.589 -1.327 -6.824 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.907 -1.442 -8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.301 -3.247 -6.779 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.011 -3.629 -6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -10.238 -2.995 -9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.123 -4.184 -8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.537 -3.386 -9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.154 -5.040 -9.351 1.00 0.00 H new ATOM 478 N TYR A 35 -11.360 -1.214 -5.194 1.00 0.00 N ATOM 479 CA TYR A 35 -12.332 -0.867 -4.171 1.00 0.00 C ATOM 480 C TYR A 35 -13.004 0.471 -4.484 1.00 0.00 C ATOM 481 O TYR A 35 -14.156 0.693 -4.115 1.00 0.00 O ATOM 482 CB TYR A 35 -11.543 -0.735 -2.867 1.00 0.00 C ATOM 483 CG TYR A 35 -12.301 -0.015 -1.751 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.336 -0.652 -1.097 1.00 0.00 C ATOM 485 CD2 TYR A 35 -11.950 1.273 -1.398 1.00 0.00 C ATOM 486 CE1 TYR A 35 -14.050 0.027 -0.046 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.664 1.951 -0.347 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.679 1.295 0.277 1.00 0.00 C ATOM 489 OH TYR A 35 -14.353 1.936 1.269 1.00 0.00 O ATOM 0 H TYR A 35 -10.425 -1.419 -4.842 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.114 -1.624 -4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.265 -1.730 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.616 -0.198 -3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.611 -1.659 -1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.140 1.772 -1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.862 -0.460 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.399 2.958 -0.061 1.00 0.00 H new ATOM 0 HH TYR A 35 -15.051 1.347 1.623 1.00 0.00 H new ATOM 499 N PHE A 36 -12.255 1.328 -5.162 1.00 0.00 N ATOM 500 CA PHE A 36 -12.764 2.639 -5.529 1.00 0.00 C ATOM 501 C PHE A 36 -13.601 2.564 -6.807 1.00 0.00 C ATOM 502 O PHE A 36 -14.504 3.374 -7.011 1.00 0.00 O ATOM 503 CB PHE A 36 -11.550 3.536 -5.781 1.00 0.00 C ATOM 504 CG PHE A 36 -10.718 3.823 -4.530 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.329 3.951 -3.322 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.367 3.950 -4.625 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.557 4.217 -2.160 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.595 4.216 -3.464 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.206 4.344 -2.256 1.00 0.00 C ATOM 0 H PHE A 36 -11.300 1.140 -5.467 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.399 3.028 -4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.912 3.065 -6.529 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.891 4.481 -6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.402 3.850 -3.246 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.882 3.848 -5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.042 4.318 -1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.522 4.317 -3.540 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.619 4.547 -1.373 1.00 0.00 H new ATOM 519 N GLN A 37 -13.272 1.584 -7.636 1.00 0.00 N ATOM 520 CA GLN A 37 -13.983 1.392 -8.889 1.00 0.00 C ATOM 521 C GLN A 37 -15.315 0.683 -8.640 1.00 0.00 C ATOM 522 O GLN A 37 -16.313 0.981 -9.295 1.00 0.00 O ATOM 523 CB GLN A 37 -13.127 0.615 -9.891 1.00 0.00 C ATOM 524 CG GLN A 37 -12.343 1.568 -10.796 1.00 0.00 C ATOM 525 CD GLN A 37 -12.371 1.091 -12.250 1.00 0.00 C ATOM 526 OE1 GLN A 37 -11.832 0.054 -12.600 1.00 0.00 O ATOM 527 NE2 GLN A 37 -13.027 1.903 -13.073 1.00 0.00 N ATOM 0 H GLN A 37 -12.522 0.914 -7.464 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.190 2.371 -9.321 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.435 -0.036 -9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.765 -0.027 -10.498 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.768 2.570 -10.730 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.311 1.636 -10.452 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.455 2.756 -12.714 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.102 1.673 -14.064 1.00 0.00 H new ATOM 536 N LYS A 38 -15.289 -0.243 -7.692 1.00 0.00 N ATOM 537 CA LYS A 38 -16.482 -0.997 -7.349 1.00 0.00 C ATOM 538 C LYS A 38 -17.461 -0.085 -6.606 1.00 0.00 C ATOM 539 O LYS A 38 -18.581 0.135 -7.064 1.00 0.00 O ATOM 540 CB LYS A 38 -16.112 -2.263 -6.573 1.00 0.00 C ATOM 541 CG LYS A 38 -15.790 -3.415 -7.527 1.00 0.00 C ATOM 542 CD LYS A 38 -17.066 -4.137 -7.965 1.00 0.00 C ATOM 543 CE LYS A 38 -16.838 -5.647 -8.055 1.00 0.00 C ATOM 544 NZ LYS A 38 -18.084 -6.380 -7.737 1.00 0.00 N ATOM 0 H LYS A 38 -14.460 -0.488 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.987 -1.340 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.252 -2.064 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.936 -2.547 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.266 -3.031 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.118 -4.120 -7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.868 -3.928 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.389 -3.756 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.500 -5.910 -9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.049 -5.943 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.911 -7.403 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.390 -6.142 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.827 -6.110 -8.412 1.00 0.00 H new ATOM 558 N GLU A 39 -17.002 0.423 -5.471 1.00 0.00 N ATOM 559 CA GLU A 39 -17.822 1.306 -4.660 1.00 0.00 C ATOM 560 C GLU A 39 -18.081 2.619 -5.402 1.00 0.00 C ATOM 561 O GLU A 39 -18.969 3.383 -5.027 1.00 0.00 O ATOM 562 CB GLU A 39 -17.172 1.563 -3.300 1.00 0.00 C ATOM 563 CG GLU A 39 -17.737 0.620 -2.235 1.00 0.00 C ATOM 564 CD GLU A 39 -18.893 1.277 -1.479 1.00 0.00 C ATOM 565 OE1 GLU A 39 -18.655 2.364 -0.911 1.00 0.00 O ATOM 566 OE2 GLU A 39 -19.990 0.676 -1.487 1.00 0.00 O ATOM 0 H GLU A 39 -16.072 0.239 -5.094 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.780 0.818 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.093 1.426 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.341 2.598 -3.002 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.082 -0.301 -2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.949 0.344 -1.534 1.00 0.00 H new ATOM 573 N LYS A 40 -17.288 2.841 -6.440 1.00 0.00 N ATOM 574 CA LYS A 40 -17.420 4.049 -7.237 1.00 0.00 C ATOM 575 C LYS A 40 -16.850 5.235 -6.456 1.00 0.00 C ATOM 576 O LYS A 40 -17.219 6.382 -6.705 1.00 0.00 O ATOM 577 CB LYS A 40 -18.872 4.244 -7.678 1.00 0.00 C ATOM 578 CG LYS A 40 -18.997 4.170 -9.201 1.00 0.00 C ATOM 579 CD LYS A 40 -20.244 3.385 -9.611 1.00 0.00 C ATOM 580 CE LYS A 40 -21.219 4.271 -10.389 1.00 0.00 C ATOM 581 NZ LYS A 40 -21.696 3.574 -11.605 1.00 0.00 N ATOM 0 H LYS A 40 -16.552 2.205 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.841 3.964 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.501 3.480 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.236 5.209 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.045 5.177 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.110 3.695 -9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.955 2.531 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.737 2.988 -8.723 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -22.067 4.532 -9.756 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.729 5.205 -10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.357 4.189 -12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.885 3.347 -12.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.182 2.695 -11.334 1.00 0.00 H new ATOM 595 N ILE A 41 -15.959 4.918 -5.528 1.00 0.00 N ATOM 596 CA ILE A 41 -15.334 5.943 -4.710 1.00 0.00 C ATOM 597 C ILE A 41 -14.186 6.584 -5.492 1.00 0.00 C ATOM 598 O ILE A 41 -13.735 6.040 -6.498 1.00 0.00 O ATOM 599 CB ILE A 41 -14.910 5.365 -3.358 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.125 4.886 -2.561 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.068 6.371 -2.571 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.748 3.736 -1.625 1.00 0.00 C ATOM 0 H ILE A 41 -15.655 3.966 -5.325 1.00 0.00 H new ATOM 0 HA ILE A 41 -16.047 6.736 -4.482 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.282 4.493 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.533 5.713 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.908 4.561 -3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.780 5.935 -1.614 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.173 6.620 -3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.651 7.276 -2.397 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.629 3.414 -1.070 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.363 2.901 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.982 4.072 -0.926 1.00 0.00 H new ATOM 614 N GLN A 42 -13.746 7.733 -4.999 1.00 0.00 N ATOM 615 CA GLN A 42 -12.659 8.454 -5.639 1.00 0.00 C ATOM 616 C GLN A 42 -11.575 8.798 -4.616 1.00 0.00 C ATOM 617 O GLN A 42 -11.870 9.337 -3.550 1.00 0.00 O ATOM 618 CB GLN A 42 -13.173 9.715 -6.337 1.00 0.00 C ATOM 619 CG GLN A 42 -13.998 9.358 -7.576 1.00 0.00 C ATOM 620 CD GLN A 42 -15.171 10.324 -7.751 1.00 0.00 C ATOM 621 OE1 GLN A 42 -16.059 10.420 -6.920 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.125 11.033 -8.875 1.00 0.00 N ATOM 0 H GLN A 42 -14.123 8.182 -4.164 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.221 7.809 -6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -13.783 10.295 -5.645 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -12.331 10.344 -6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.363 9.388 -8.461 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -14.372 8.338 -7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.352 10.904 -9.528 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -15.862 11.706 -9.084 1.00 0.00 H new ATOM 631 N GLY A 43 -10.342 8.473 -4.975 1.00 0.00 N ATOM 632 CA GLY A 43 -9.212 8.740 -4.101 1.00 0.00 C ATOM 633 C GLY A 43 -7.889 8.588 -4.854 1.00 0.00 C ATOM 634 O GLY A 43 -7.695 7.620 -5.587 1.00 0.00 O ATOM 0 H GLY A 43 -10.100 8.027 -5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.291 9.749 -3.697 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.233 8.055 -3.254 1.00 0.00 H new ATOM 638 N GLU A 44 -7.011 9.559 -4.646 1.00 0.00 N ATOM 639 CA GLU A 44 -5.712 9.545 -5.295 1.00 0.00 C ATOM 640 C GLU A 44 -4.595 9.563 -4.249 1.00 0.00 C ATOM 641 O GLU A 44 -4.856 9.426 -3.055 1.00 0.00 O ATOM 642 CB GLU A 44 -5.572 10.719 -6.267 1.00 0.00 C ATOM 643 CG GLU A 44 -5.943 10.299 -7.691 1.00 0.00 C ATOM 644 CD GLU A 44 -4.700 10.210 -8.578 1.00 0.00 C ATOM 645 OE1 GLU A 44 -3.888 11.158 -8.514 1.00 0.00 O ATOM 646 OE2 GLU A 44 -4.589 9.195 -9.300 1.00 0.00 O ATOM 0 H GLU A 44 -7.175 10.361 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.627 8.625 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.214 11.539 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.547 11.091 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.448 9.333 -7.669 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.646 11.017 -8.114 1.00 0.00 H new ATOM 653 N TYR A 45 -3.375 9.733 -4.736 1.00 0.00 N ATOM 654 CA TYR A 45 -2.218 9.771 -3.858 1.00 0.00 C ATOM 655 C TYR A 45 -1.571 11.158 -3.862 1.00 0.00 C ATOM 656 O TYR A 45 -1.443 11.784 -4.914 1.00 0.00 O ATOM 657 CB TYR A 45 -1.224 8.756 -4.426 1.00 0.00 C ATOM 658 CG TYR A 45 -1.699 7.304 -4.339 1.00 0.00 C ATOM 659 CD1 TYR A 45 -2.667 6.842 -5.207 1.00 0.00 C ATOM 660 CD2 TYR A 45 -1.159 6.457 -3.392 1.00 0.00 C ATOM 661 CE1 TYR A 45 -3.114 5.476 -5.125 1.00 0.00 C ATOM 662 CE2 TYR A 45 -1.606 5.091 -3.311 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.562 4.668 -4.181 1.00 0.00 C ATOM 664 OH TYR A 45 -2.984 3.377 -4.104 1.00 0.00 O ATOM 0 H TYR A 45 -3.162 9.846 -5.727 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.508 9.544 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.027 9.001 -5.470 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.279 8.851 -3.892 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.089 7.505 -5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.402 6.819 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.871 5.101 -5.798 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.191 4.417 -2.576 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.479 3.146 -4.918 1.00 0.00 H new ATOM 674 N LYS A 46 -1.180 11.597 -2.675 1.00 0.00 N ATOM 675 CA LYS A 46 -0.550 12.898 -2.529 1.00 0.00 C ATOM 676 C LYS A 46 0.959 12.713 -2.353 1.00 0.00 C ATOM 677 O LYS A 46 1.417 12.303 -1.288 1.00 0.00 O ATOM 678 CB LYS A 46 -1.208 13.689 -1.396 1.00 0.00 C ATOM 679 CG LYS A 46 -0.514 15.036 -1.192 1.00 0.00 C ATOM 680 CD LYS A 46 -1.035 16.078 -2.184 1.00 0.00 C ATOM 681 CE LYS A 46 -1.938 17.096 -1.486 1.00 0.00 C ATOM 682 NZ LYS A 46 -3.283 17.106 -2.104 1.00 0.00 N ATOM 0 H LYS A 46 -1.287 11.075 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.696 13.494 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.262 13.850 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.167 13.111 -0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.681 15.384 -0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.562 14.917 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.195 16.592 -2.652 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.589 15.582 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.020 16.852 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.494 18.089 -1.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.883 17.803 -1.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.201 17.361 -3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.711 16.162 -2.020 1.00 0.00 H new ATOM 696 N TYR A 47 1.688 13.022 -3.415 1.00 0.00 N ATOM 697 CA TYR A 47 3.136 12.895 -3.391 1.00 0.00 C ATOM 698 C TYR A 47 3.794 14.198 -2.935 1.00 0.00 C ATOM 699 O TYR A 47 3.618 15.240 -3.565 1.00 0.00 O ATOM 700 CB TYR A 47 3.557 12.602 -4.832 1.00 0.00 C ATOM 701 CG TYR A 47 2.989 11.297 -5.394 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.590 10.093 -5.084 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.876 11.322 -6.210 1.00 0.00 C ATOM 704 CE1 TYR A 47 3.056 8.865 -5.612 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.342 10.094 -6.738 1.00 0.00 C ATOM 706 CZ TYR A 47 1.958 8.926 -6.413 1.00 0.00 C ATOM 707 OH TYR A 47 1.454 7.765 -6.912 1.00 0.00 O ATOM 0 H TYR A 47 1.304 13.360 -4.297 1.00 0.00 H new ATOM 0 HA TYR A 47 3.441 12.111 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.239 13.428 -5.468 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.645 12.563 -4.881 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.461 10.073 -4.445 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.406 12.263 -6.452 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.517 7.917 -5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.472 10.100 -7.378 1.00 0.00 H new ATOM 0 HH TYR A 47 0.670 7.960 -7.466 1.00 0.00 H new ATOM 717 N THR A 48 4.538 14.098 -1.843 1.00 0.00 N ATOM 718 CA THR A 48 5.223 15.256 -1.296 1.00 0.00 C ATOM 719 C THR A 48 6.738 15.093 -1.431 1.00 0.00 C ATOM 720 O THR A 48 7.337 14.249 -0.766 1.00 0.00 O ATOM 721 CB THR A 48 4.759 15.440 0.151 1.00 0.00 C ATOM 722 OG1 THR A 48 3.394 15.834 0.030 1.00 0.00 O ATOM 723 CG2 THR A 48 5.431 16.633 0.834 1.00 0.00 C ATOM 0 H THR A 48 4.681 13.233 -1.323 1.00 0.00 H new ATOM 0 HA THR A 48 4.974 16.161 -1.851 1.00 0.00 H new ATOM 0 HB THR A 48 4.968 14.532 0.717 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.013 15.973 0.922 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.067 16.719 1.858 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.511 16.486 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.195 17.546 0.287 1.00 0.00 H new ATOM 731 N GLN A 49 7.315 15.915 -2.296 1.00 0.00 N ATOM 732 CA GLN A 49 8.748 15.872 -2.528 1.00 0.00 C ATOM 733 C GLN A 49 9.489 16.600 -1.404 1.00 0.00 C ATOM 734 O GLN A 49 9.195 17.758 -1.110 1.00 0.00 O ATOM 735 CB GLN A 49 9.102 16.466 -3.892 1.00 0.00 C ATOM 736 CG GLN A 49 10.543 16.129 -4.281 1.00 0.00 C ATOM 737 CD GLN A 49 11.258 17.356 -4.850 1.00 0.00 C ATOM 738 OE1 GLN A 49 12.512 17.494 -4.430 1.00 0.00 O flip ATOM 739 NE2 GLN A 49 10.708 18.126 -5.620 1.00 0.00 N flip ATOM 0 H GLN A 49 6.815 16.615 -2.845 1.00 0.00 H new ATOM 0 HA GLN A 49 9.064 14.829 -2.531 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.418 16.081 -4.649 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.972 17.548 -3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.083 15.761 -3.408 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.546 15.327 -5.019 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.742 17.961 -5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.214 18.934 -5.981 1.00 0.00 H new ATOM 748 N VAL A 50 10.436 15.892 -0.807 1.00 0.00 N ATOM 749 CA VAL A 50 11.221 16.457 0.278 1.00 0.00 C ATOM 750 C VAL A 50 12.707 16.208 0.009 1.00 0.00 C ATOM 751 O VAL A 50 13.061 15.492 -0.926 1.00 0.00 O ATOM 752 CB VAL A 50 10.752 15.884 1.617 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.361 16.409 1.980 1.00 0.00 C ATOM 754 CG2 VAL A 50 10.773 14.354 1.596 1.00 0.00 C ATOM 0 H VAL A 50 10.678 14.932 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 50 11.076 17.536 0.333 1.00 0.00 H new ATOM 0 HB VAL A 50 11.448 16.218 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.051 15.987 2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.391 17.496 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.649 16.119 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.435 13.972 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.111 13.992 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.788 14.007 1.404 1.00 0.00 H new ATOM 764 N GLY A 51 13.536 16.813 0.847 1.00 0.00 N ATOM 765 CA GLY A 51 14.976 16.667 0.711 1.00 0.00 C ATOM 766 C GLY A 51 15.481 17.364 -0.553 1.00 0.00 C ATOM 767 O GLY A 51 14.693 17.914 -1.320 1.00 0.00 O ATOM 0 H GLY A 51 13.239 17.405 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.472 17.088 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.236 15.609 0.676 1.00 0.00 H new ATOM 771 N PRO A 52 16.828 17.318 -0.735 1.00 0.00 N ATOM 772 CA PRO A 52 17.449 17.940 -1.893 1.00 0.00 C ATOM 773 C PRO A 52 17.215 17.105 -3.154 1.00 0.00 C ATOM 774 O PRO A 52 16.895 15.920 -3.068 1.00 0.00 O ATOM 775 CB PRO A 52 18.919 18.068 -1.530 1.00 0.00 C ATOM 776 CG PRO A 52 19.151 17.099 -0.382 1.00 0.00 C ATOM 777 CD PRO A 52 17.793 16.676 0.153 1.00 0.00 C ATOM 0 HA PRO A 52 17.024 18.916 -2.125 1.00 0.00 H new ATOM 0 HB2 PRO A 52 19.554 17.824 -2.381 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.161 19.089 -1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 52 19.714 16.230 -0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 52 19.740 17.572 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.683 15.592 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 52 17.656 16.998 1.185 1.00 0.00 H new ATOM 785 N ASP A 53 17.383 17.756 -4.295 1.00 0.00 N ATOM 786 CA ASP A 53 17.195 17.089 -5.572 1.00 0.00 C ATOM 787 C ASP A 53 18.135 15.885 -5.658 1.00 0.00 C ATOM 788 O ASP A 53 17.699 14.771 -5.943 1.00 0.00 O ATOM 789 CB ASP A 53 17.520 18.027 -6.737 1.00 0.00 C ATOM 790 CG ASP A 53 17.327 17.420 -8.128 1.00 0.00 C ATOM 791 OD1 ASP A 53 18.287 16.776 -8.604 1.00 0.00 O ATOM 792 OD2 ASP A 53 16.225 17.615 -8.684 1.00 0.00 O ATOM 0 H ASP A 53 17.647 18.739 -4.362 1.00 0.00 H new ATOM 0 HA ASP A 53 16.152 16.778 -5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.894 18.915 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.555 18.356 -6.641 1.00 0.00 H new ATOM 797 N HIS A 54 19.408 16.150 -5.405 1.00 0.00 N ATOM 798 CA HIS A 54 20.414 15.102 -5.449 1.00 0.00 C ATOM 799 C HIS A 54 19.894 13.861 -4.722 1.00 0.00 C ATOM 800 O HIS A 54 20.163 12.735 -5.138 1.00 0.00 O ATOM 801 CB HIS A 54 21.746 15.604 -4.889 1.00 0.00 C ATOM 802 CG HIS A 54 21.913 15.376 -3.405 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.189 14.240 -2.703 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 21.794 16.392 -2.473 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.238 14.545 -1.413 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 21.993 15.879 -1.268 1.00 0.00 N flip ATOM 0 H HIS A 54 19.766 17.075 -5.169 1.00 0.00 H new ATOM 0 HA HIS A 54 20.606 14.820 -6.484 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.560 15.108 -5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 54 21.836 16.671 -5.095 1.00 0.00 H new ATOM 0 HD2 HIS A 54 21.576 17.427 -2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.439 13.851 -0.610 1.00 0.00 H new ATOM 0 HE2 HIS A 54 21.967 16.392 -0.386 1.00 0.00 H new ATOM 814 N ASN A 55 19.158 14.108 -3.648 1.00 0.00 N ATOM 815 CA ASN A 55 18.598 13.024 -2.859 1.00 0.00 C ATOM 816 C ASN A 55 17.255 13.466 -2.274 1.00 0.00 C ATOM 817 O ASN A 55 17.197 13.960 -1.149 1.00 0.00 O ATOM 818 CB ASN A 55 19.522 12.655 -1.696 1.00 0.00 C ATOM 819 CG ASN A 55 19.198 11.260 -1.160 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.052 10.900 -0.944 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.267 10.496 -0.958 1.00 0.00 N ATOM 0 H ASN A 55 18.937 15.043 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 55 18.477 12.159 -3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.560 12.689 -2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.418 13.389 -0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 55 20.155 9.547 -0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 55 21.199 10.859 -1.159 1.00 0.00 H new ATOM 828 N ARG A 56 16.210 13.273 -3.064 1.00 0.00 N ATOM 829 CA ARG A 56 14.871 13.645 -2.638 1.00 0.00 C ATOM 830 C ARG A 56 13.972 12.409 -2.570 1.00 0.00 C ATOM 831 O ARG A 56 14.316 11.357 -3.107 1.00 0.00 O ATOM 832 CB ARG A 56 14.252 14.665 -3.596 1.00 0.00 C ATOM 833 CG ARG A 56 14.397 14.210 -5.050 1.00 0.00 C ATOM 834 CD ARG A 56 13.215 14.690 -5.895 1.00 0.00 C ATOM 835 NE ARG A 56 13.705 15.463 -7.057 1.00 0.00 N ATOM 836 CZ ARG A 56 14.163 14.910 -8.188 1.00 0.00 C ATOM 837 NH1 ARG A 56 14.197 13.577 -8.317 1.00 0.00 N ATOM 838 NH2 ARG A 56 14.587 15.690 -9.192 1.00 0.00 N ATOM 0 H ARG A 56 16.263 12.864 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 56 14.951 14.094 -1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.197 14.800 -3.357 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.735 15.633 -3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.327 14.598 -5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 56 14.459 13.123 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.631 13.836 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.552 15.308 -5.290 1.00 0.00 H new ATOM 0 HE ARG A 56 13.693 16.481 -6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.874 12.982 -7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.546 13.157 -9.178 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.561 16.705 -9.095 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.936 15.269 -10.053 1.00 0.00 H new ATOM 852 N SER A 57 12.838 12.577 -1.906 1.00 0.00 N ATOM 853 CA SER A 57 11.888 11.488 -1.761 1.00 0.00 C ATOM 854 C SER A 57 10.458 12.033 -1.793 1.00 0.00 C ATOM 855 O SER A 57 10.137 12.983 -1.081 1.00 0.00 O ATOM 856 CB SER A 57 12.131 10.713 -0.465 1.00 0.00 C ATOM 857 OG SER A 57 13.506 10.720 -0.089 1.00 0.00 O ATOM 0 H SER A 57 12.556 13.451 -1.462 1.00 0.00 H new ATOM 0 HA SER A 57 12.027 10.800 -2.595 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.534 11.149 0.336 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.794 9.684 -0.589 1.00 0.00 H new ATOM 0 HG SER A 57 13.620 10.216 0.744 1.00 0.00 H new ATOM 863 N PHE A 58 9.639 11.407 -2.625 1.00 0.00 N ATOM 864 CA PHE A 58 8.252 11.818 -2.759 1.00 0.00 C ATOM 865 C PHE A 58 7.361 11.072 -1.764 1.00 0.00 C ATOM 866 O PHE A 58 7.064 9.893 -1.953 1.00 0.00 O ATOM 867 CB PHE A 58 7.815 11.463 -4.182 1.00 0.00 C ATOM 868 CG PHE A 58 8.269 12.469 -5.241 1.00 0.00 C ATOM 869 CD1 PHE A 58 7.506 13.561 -5.514 1.00 0.00 C ATOM 870 CD2 PHE A 58 9.437 12.272 -5.911 1.00 0.00 C ATOM 871 CE1 PHE A 58 7.927 14.495 -6.497 1.00 0.00 C ATOM 872 CE2 PHE A 58 9.858 13.206 -6.894 1.00 0.00 C ATOM 873 CZ PHE A 58 9.094 14.298 -7.166 1.00 0.00 C ATOM 0 H PHE A 58 9.909 10.618 -3.213 1.00 0.00 H new ATOM 0 HA PHE A 58 8.160 12.886 -2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 58 8.209 10.479 -4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.728 11.388 -4.209 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.579 13.718 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.044 11.405 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.320 15.362 -6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 58 10.785 13.049 -7.426 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.414 15.009 -7.913 1.00 0.00 H new ATOM 883 N ILE A 59 6.958 11.789 -0.725 1.00 0.00 N ATOM 884 CA ILE A 59 6.107 11.210 0.300 1.00 0.00 C ATOM 885 C ILE A 59 4.695 11.025 -0.260 1.00 0.00 C ATOM 886 O ILE A 59 3.955 11.994 -0.418 1.00 0.00 O ATOM 887 CB ILE A 59 6.157 12.051 1.577 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.389 11.703 2.415 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.861 11.911 2.377 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.700 12.814 3.421 1.00 0.00 C ATOM 0 H ILE A 59 7.206 12.766 -0.571 1.00 0.00 H new ATOM 0 HA ILE A 59 6.470 10.222 0.583 1.00 0.00 H new ATOM 0 HB ILE A 59 6.247 13.099 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.220 10.765 2.944 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.247 11.550 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.923 12.519 3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.021 12.248 1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.714 10.867 2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.580 12.541 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.892 13.745 2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.850 12.948 4.089 1.00 0.00 H new ATOM 902 N ALA A 60 4.365 9.774 -0.545 1.00 0.00 N ATOM 903 CA ALA A 60 3.055 9.450 -1.083 1.00 0.00 C ATOM 904 C ALA A 60 2.087 9.180 0.070 1.00 0.00 C ATOM 905 O ALA A 60 2.198 8.164 0.754 1.00 0.00 O ATOM 906 CB ALA A 60 3.175 8.258 -2.035 1.00 0.00 C ATOM 0 H ALA A 60 4.982 8.973 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 60 2.658 10.287 -1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.192 8.015 -2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.851 8.511 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.568 7.398 -1.493 1.00 0.00 H new ATOM 912 N GLU A 61 1.158 10.108 0.249 1.00 0.00 N ATOM 913 CA GLU A 61 0.170 9.983 1.308 1.00 0.00 C ATOM 914 C GLU A 61 -1.241 9.951 0.716 1.00 0.00 C ATOM 915 O GLU A 61 -1.557 10.724 -0.187 1.00 0.00 O ATOM 916 CB GLU A 61 0.312 11.116 2.326 1.00 0.00 C ATOM 917 CG GLU A 61 0.027 12.473 1.680 1.00 0.00 C ATOM 918 CD GLU A 61 0.736 13.599 2.435 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.977 13.508 2.556 1.00 0.00 O ATOM 920 OE2 GLU A 61 0.022 14.527 2.873 1.00 0.00 O ATOM 0 H GLU A 61 1.069 10.949 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 61 0.344 9.044 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.376 10.953 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.320 11.112 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.358 12.462 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.047 12.657 1.670 1.00 0.00 H new ATOM 927 N MET A 62 -2.051 9.048 1.250 1.00 0.00 N ATOM 928 CA MET A 62 -3.420 8.905 0.786 1.00 0.00 C ATOM 929 C MET A 62 -4.368 8.626 1.954 1.00 0.00 C ATOM 930 O MET A 62 -4.053 7.831 2.838 1.00 0.00 O ATOM 931 CB MET A 62 -3.501 7.757 -0.222 1.00 0.00 C ATOM 932 CG MET A 62 -4.954 7.354 -0.479 1.00 0.00 C ATOM 933 SD MET A 62 -5.013 5.959 -1.591 1.00 0.00 S ATOM 934 CE MET A 62 -5.293 6.806 -3.137 1.00 0.00 C ATOM 0 H MET A 62 -1.785 8.409 1.999 1.00 0.00 H new ATOM 0 HA MET A 62 -3.722 9.839 0.312 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.032 8.057 -1.159 1.00 0.00 H new ATOM 0 HB3 MET A 62 -2.943 6.899 0.153 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.442 7.100 0.462 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.503 8.193 -0.906 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.567 6.082 -3.904 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.100 7.528 -3.015 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.383 7.326 -3.437 1.00 0.00 H new ATOM 944 N THR A 63 -5.511 9.296 1.920 1.00 0.00 N ATOM 945 CA THR A 63 -6.507 9.130 2.965 1.00 0.00 C ATOM 946 C THR A 63 -7.866 8.780 2.356 1.00 0.00 C ATOM 947 O THR A 63 -8.229 9.297 1.301 1.00 0.00 O ATOM 948 CB THR A 63 -6.529 10.409 3.804 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.193 10.534 4.283 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.367 10.261 5.076 1.00 0.00 C ATOM 0 H THR A 63 -5.769 9.955 1.185 1.00 0.00 H new ATOM 0 HA THR A 63 -6.256 8.297 3.622 1.00 0.00 H new ATOM 0 HB THR A 63 -6.922 11.229 3.203 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.865 11.440 4.105 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.349 11.197 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.395 10.018 4.808 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.954 9.463 5.693 1.00 0.00 H new ATOM 958 N ILE A 64 -8.580 7.903 3.047 1.00 0.00 N ATOM 959 CA ILE A 64 -9.891 7.477 2.587 1.00 0.00 C ATOM 960 C ILE A 64 -10.842 7.390 3.782 1.00 0.00 C ATOM 961 O ILE A 64 -10.404 7.199 4.915 1.00 0.00 O ATOM 962 CB ILE A 64 -9.782 6.176 1.790 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.763 5.227 2.425 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.465 6.457 0.320 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.965 3.794 1.929 1.00 0.00 C ATOM 0 H ILE A 64 -8.275 7.476 3.922 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.311 8.210 1.899 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.750 5.676 1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.753 5.559 2.186 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.860 5.257 3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.393 5.515 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.258 7.066 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.517 6.991 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.228 3.140 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.968 3.456 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.843 3.763 0.846 1.00 0.00 H new ATOM 977 N TYR A 65 -12.126 7.533 3.487 1.00 0.00 N ATOM 978 CA TYR A 65 -13.143 7.472 4.524 1.00 0.00 C ATOM 979 C TYR A 65 -14.111 6.314 4.274 1.00 0.00 C ATOM 980 O TYR A 65 -14.546 6.096 3.144 1.00 0.00 O ATOM 981 CB TYR A 65 -13.912 8.792 4.438 1.00 0.00 C ATOM 982 CG TYR A 65 -15.180 8.830 5.293 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.326 8.197 4.856 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.178 9.497 6.501 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.519 8.233 5.661 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.371 9.532 7.306 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.483 8.899 6.846 1.00 0.00 C ATOM 988 OH TYR A 65 -18.611 8.932 7.606 1.00 0.00 O ATOM 0 H TYR A 65 -12.485 7.691 2.546 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.686 7.317 5.502 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.254 9.605 4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.182 8.977 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.328 7.675 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.281 9.993 6.843 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.423 7.742 5.331 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.382 10.049 8.254 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.439 9.441 8.425 1.00 0.00 H new ATOM 998 N ILE A 66 -14.421 5.602 5.348 1.00 0.00 N ATOM 999 CA ILE A 66 -15.330 4.472 5.259 1.00 0.00 C ATOM 1000 C ILE A 66 -16.639 4.820 5.970 1.00 0.00 C ATOM 1001 O ILE A 66 -16.649 5.069 7.174 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.660 3.203 5.791 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -13.240 3.059 5.238 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.516 1.968 5.501 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -13.252 2.985 3.710 1.00 0.00 C ATOM 0 H ILE A 66 -14.059 5.786 6.284 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.577 4.262 4.218 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.576 3.290 6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.633 3.905 5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.776 2.161 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.017 1.080 5.889 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.488 2.078 5.982 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.654 1.865 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.231 2.883 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.840 2.124 3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.694 3.895 3.305 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.713 4.825 5.193 1.00 0.00 N ATOM 1018 CA LYS A 67 -19.025 5.138 5.733 1.00 0.00 C ATOM 1019 C LYS A 67 -19.553 3.932 6.512 1.00 0.00 C ATOM 1020 O LYS A 67 -20.177 4.090 7.560 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.963 5.610 4.620 1.00 0.00 C ATOM 1022 CG LYS A 67 -20.003 4.600 3.471 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.607 5.259 2.148 1.00 0.00 C ATOM 1024 CE LYS A 67 -20.558 4.845 1.024 1.00 0.00 C ATOM 1025 NZ LYS A 67 -19.939 5.095 -0.297 1.00 0.00 N ATOM 0 H LYS A 67 -17.701 4.617 4.194 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.959 5.968 6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.967 5.750 5.021 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.631 6.579 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.327 3.772 3.686 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -21.005 4.179 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.620 6.343 2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.587 4.977 1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -20.807 3.788 1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -21.492 5.402 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.674 5.372 -0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.239 5.859 -0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -19.468 4.229 -0.629 1.00 0.00 H new ATOM 1039 N GLN A 68 -19.283 2.754 5.969 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.722 1.521 6.600 1.00 0.00 C ATOM 1041 C GLN A 68 -19.082 1.374 7.982 1.00 0.00 C ATOM 1042 O GLN A 68 -19.554 0.595 8.809 1.00 0.00 O ATOM 1043 CB GLN A 68 -19.408 0.311 5.718 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.912 0.237 5.402 1.00 0.00 C ATOM 1045 CD GLN A 68 -17.582 -1.025 4.603 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -17.305 -0.985 3.415 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -17.628 -2.146 5.318 1.00 0.00 N ATOM 0 H GLN A 68 -18.766 2.627 5.099 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.804 1.566 6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.723 -0.603 6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.977 0.375 4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.612 1.119 4.836 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.340 0.244 6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.867 -2.109 6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.424 -3.042 4.875 1.00 0.00 H new ATOM 1056 N LEU A 69 -18.017 2.134 8.189 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.307 2.099 9.456 1.00 0.00 C ATOM 1058 C LEU A 69 -17.641 3.358 10.258 1.00 0.00 C ATOM 1059 O LEU A 69 -17.674 3.325 11.488 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.809 1.896 9.225 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.403 0.570 8.577 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.929 0.259 8.841 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -16.320 -0.567 9.035 1.00 0.00 C ATOM 0 H LEU A 69 -17.628 2.778 7.500 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.632 1.246 10.052 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.445 2.710 8.598 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.299 1.980 10.185 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.523 0.666 7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.667 -0.688 8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.309 1.054 8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.759 0.189 9.915 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -16.010 -1.498 8.560 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.255 -0.673 10.118 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -17.348 -0.341 8.753 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.879 4.439 9.530 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.209 5.707 10.159 1.00 0.00 C ATOM 1077 C GLY A 70 -16.944 6.512 10.465 1.00 0.00 C ATOM 1078 O GLY A 70 -17.010 7.554 11.115 1.00 0.00 O ATOM 0 H GLY A 70 -17.850 4.463 8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.862 6.283 9.503 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.762 5.527 11.081 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.823 5.999 9.981 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.545 6.657 10.195 1.00 0.00 C ATOM 1084 C ARG A 71 -13.744 6.695 8.892 1.00 0.00 C ATOM 1085 O ARG A 71 -14.253 6.327 7.835 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.727 5.937 11.268 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.419 4.498 10.849 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.751 3.726 11.989 1.00 0.00 C ATOM 1089 NE ARG A 71 -13.194 2.313 11.970 1.00 0.00 N ATOM 1090 CZ ARG A 71 -14.334 1.876 12.522 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -15.154 2.738 13.139 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -14.654 0.576 12.457 1.00 0.00 N ATOM 0 H ARG A 71 -15.773 5.135 9.441 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.748 7.674 10.531 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.796 6.476 11.443 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.276 5.936 12.209 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.341 3.996 10.556 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.766 4.501 9.976 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -11.667 3.777 11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -13.004 4.182 12.946 1.00 0.00 H new ATOM 0 HE ARG A 71 -12.594 1.630 11.508 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -14.910 3.727 13.189 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.022 2.405 13.559 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.030 -0.080 11.988 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -15.522 0.243 12.877 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.503 7.145 9.011 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.626 7.237 7.856 1.00 0.00 C ATOM 1108 C ARG A 72 -10.191 6.880 8.250 1.00 0.00 C ATOM 1109 O ARG A 72 -9.790 7.082 9.395 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.649 8.644 7.257 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.465 9.706 8.344 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.230 10.566 8.067 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.474 11.958 8.505 1.00 0.00 N ATOM 1114 CZ ARG A 72 -10.574 12.335 9.787 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -10.452 11.427 10.764 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -10.797 13.621 10.092 1.00 0.00 N ATOM 0 H ARG A 72 -12.084 7.450 9.890 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.987 6.531 7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.858 8.739 6.513 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.595 8.808 6.740 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.351 10.340 8.392 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.366 9.223 9.316 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.367 10.157 8.592 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.995 10.547 7.003 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.572 12.675 7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.283 10.448 10.532 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.528 11.714 11.740 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.891 14.313 9.348 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.873 13.908 11.068 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.457 6.357 7.279 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.076 5.971 7.509 1.00 0.00 C ATOM 1132 C ILE A 73 -7.154 6.879 6.692 1.00 0.00 C ATOM 1133 O ILE A 73 -7.571 7.448 5.685 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.881 4.481 7.224 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.064 4.179 5.736 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.804 3.630 8.099 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.573 2.769 5.398 1.00 0.00 C ATOM 0 H ILE A 73 -9.793 6.192 6.330 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.812 6.108 8.558 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.856 4.215 7.483 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.116 4.275 5.468 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.516 4.911 5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.645 2.575 7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.583 3.816 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.842 3.892 7.895 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.715 2.580 4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.515 2.684 5.644 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.140 2.038 5.975 1.00 0.00 H new ATOM 1149 N PHE A 74 -5.918 6.987 7.158 1.00 0.00 N ATOM 1150 CA PHE A 74 -4.934 7.815 6.483 1.00 0.00 C ATOM 1151 C PHE A 74 -3.603 7.076 6.335 1.00 0.00 C ATOM 1152 O PHE A 74 -3.298 6.177 7.118 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.721 9.055 7.353 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.324 9.668 7.233 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.274 9.098 7.882 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.133 10.782 6.477 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -0.977 9.666 7.771 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -1.836 11.350 6.365 1.00 0.00 C ATOM 1159 CZ PHE A 74 -0.786 10.780 7.015 1.00 0.00 C ATOM 0 H PHE A 74 -5.576 6.515 7.995 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.288 8.073 5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.461 9.808 7.082 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.902 8.791 8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.426 8.213 8.482 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.967 11.235 5.962 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.143 9.213 8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.684 12.234 5.764 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.200 11.212 6.931 1.00 0.00 H new ATOM 1169 N ALA A 75 -2.846 7.481 5.326 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.554 6.868 5.066 1.00 0.00 C ATOM 1171 C ALA A 75 -0.575 7.939 4.580 1.00 0.00 C ATOM 1172 O ALA A 75 -0.983 8.932 3.981 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.723 5.731 4.057 1.00 0.00 C ATOM 0 H ALA A 75 -3.102 8.226 4.679 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.143 6.436 5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.754 5.271 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.405 4.983 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.131 6.127 3.127 1.00 0.00 H new ATOM 1179 N ARG A 76 0.699 7.700 4.857 1.00 0.00 N ATOM 1180 CA ARG A 76 1.739 8.631 4.455 1.00 0.00 C ATOM 1181 C ARG A 76 3.116 7.976 4.585 1.00 0.00 C ATOM 1182 O ARG A 76 3.730 8.020 5.649 1.00 0.00 O ATOM 1183 CB ARG A 76 1.703 9.899 5.310 1.00 0.00 C ATOM 1184 CG ARG A 76 2.797 10.880 4.882 1.00 0.00 C ATOM 1185 CD ARG A 76 3.747 11.181 6.043 1.00 0.00 C ATOM 1186 NE ARG A 76 3.116 12.140 6.978 1.00 0.00 N ATOM 1187 CZ ARG A 76 3.587 12.418 8.201 1.00 0.00 C ATOM 1188 NH1 ARG A 76 4.697 11.812 8.644 1.00 0.00 N ATOM 1189 NH2 ARG A 76 2.949 13.302 8.980 1.00 0.00 N ATOM 0 H ARG A 76 1.034 6.875 5.355 1.00 0.00 H new ATOM 0 HA ARG A 76 1.558 8.902 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.727 10.375 5.220 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.834 9.638 6.360 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.359 10.462 4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.343 11.806 4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.996 10.259 6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.681 11.593 5.662 1.00 0.00 H new ATOM 0 HE ARG A 76 2.269 12.619 6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.183 11.140 8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.056 12.023 9.575 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.105 13.763 8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.308 13.513 9.911 1.00 0.00 H new ATOM 1203 N GLU A 77 3.561 7.385 3.486 1.00 0.00 N ATOM 1204 CA GLU A 77 4.853 6.722 3.463 1.00 0.00 C ATOM 1205 C GLU A 77 5.885 7.596 2.746 1.00 0.00 C ATOM 1206 O GLU A 77 5.531 8.594 2.120 1.00 0.00 O ATOM 1207 CB GLU A 77 4.752 5.344 2.807 1.00 0.00 C ATOM 1208 CG GLU A 77 3.888 4.400 3.646 1.00 0.00 C ATOM 1209 CD GLU A 77 4.757 3.488 4.515 1.00 0.00 C ATOM 1210 OE1 GLU A 77 5.495 4.043 5.358 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.665 2.258 4.316 1.00 0.00 O ATOM 0 H GLU A 77 3.049 7.352 2.604 1.00 0.00 H new ATOM 0 HA GLU A 77 5.181 6.574 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.325 5.443 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.749 4.920 2.687 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.218 4.981 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.262 3.795 2.990 1.00 0.00 H new ATOM 1218 N HIS A 78 7.141 7.188 2.862 1.00 0.00 N ATOM 1219 CA HIS A 78 8.226 7.922 2.233 1.00 0.00 C ATOM 1220 C HIS A 78 9.009 6.987 1.309 1.00 0.00 C ATOM 1221 O HIS A 78 10.204 6.769 1.508 1.00 0.00 O ATOM 1222 CB HIS A 78 9.110 8.592 3.286 1.00 0.00 C ATOM 1223 CG HIS A 78 9.062 7.929 4.642 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.796 6.797 4.949 1.00 0.00 N ATOM 1225 CD2 HIS A 78 8.360 8.251 5.766 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.540 6.461 6.205 1.00 0.00 C ATOM 1227 NE2 HIS A 78 8.649 7.363 6.709 1.00 0.00 N ATOM 0 H HIS A 78 7.431 6.360 3.382 1.00 0.00 H new ATOM 0 HA HIS A 78 7.819 8.726 1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.141 8.595 2.931 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.806 9.633 3.391 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.684 9.087 5.871 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.962 5.621 6.736 1.00 0.00 H new ATOM 0 HE2 HIS A 78 8.268 7.356 7.655 1.00 0.00 H new ATOM 1235 N GLY A 79 8.305 6.458 0.319 1.00 0.00 N ATOM 1236 CA GLY A 79 8.919 5.552 -0.636 1.00 0.00 C ATOM 1237 C GLY A 79 9.981 6.271 -1.470 1.00 0.00 C ATOM 1238 O GLY A 79 10.071 7.498 -1.443 1.00 0.00 O ATOM 0 H GLY A 79 7.314 6.640 0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.373 4.714 -0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 79 8.154 5.138 -1.293 1.00 0.00 H new ATOM 1242 N SER A 80 10.760 5.477 -2.190 1.00 0.00 N ATOM 1243 CA SER A 80 11.813 6.023 -3.030 1.00 0.00 C ATOM 1244 C SER A 80 11.200 6.784 -4.207 1.00 0.00 C ATOM 1245 O SER A 80 11.285 8.010 -4.270 1.00 0.00 O ATOM 1246 CB SER A 80 12.740 4.917 -3.538 1.00 0.00 C ATOM 1247 OG SER A 80 14.110 5.203 -3.266 1.00 0.00 O ATOM 0 H SER A 80 10.683 4.460 -2.209 1.00 0.00 H new ATOM 0 HA SER A 80 12.408 6.712 -2.430 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.467 3.971 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.602 4.793 -4.612 1.00 0.00 H new ATOM 0 HG SER A 80 14.670 4.473 -3.604 1.00 0.00 H new ATOM 1253 N ASN A 81 10.597 6.027 -5.112 1.00 0.00 N ATOM 1254 CA ASN A 81 9.971 6.615 -6.283 1.00 0.00 C ATOM 1255 C ASN A 81 8.456 6.665 -6.076 1.00 0.00 C ATOM 1256 O ASN A 81 7.921 5.971 -5.213 1.00 0.00 O ATOM 1257 CB ASN A 81 10.249 5.780 -7.535 1.00 0.00 C ATOM 1258 CG ASN A 81 9.948 4.300 -7.284 1.00 0.00 C ATOM 1259 OD1 ASN A 81 9.035 3.940 -6.561 1.00 0.00 O ATOM 1260 ND2 ASN A 81 10.766 3.467 -7.922 1.00 0.00 N ATOM 0 H ASN A 81 10.529 5.011 -5.057 1.00 0.00 H new ATOM 0 HA ASN A 81 10.382 7.615 -6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.639 6.144 -8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.291 5.898 -7.831 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.648 2.459 -7.821 1.00 0.00 H new ATOM 0 HD22 ASN A 81 11.511 3.836 -8.513 1.00 0.00 H new ATOM 1267 N LYS A 82 7.807 7.494 -6.881 1.00 0.00 N ATOM 1268 CA LYS A 82 6.365 7.644 -6.796 1.00 0.00 C ATOM 1269 C LYS A 82 5.726 6.271 -6.573 1.00 0.00 C ATOM 1270 O LYS A 82 5.040 6.057 -5.575 1.00 0.00 O ATOM 1271 CB LYS A 82 5.829 8.378 -8.027 1.00 0.00 C ATOM 1272 CG LYS A 82 5.886 9.894 -7.828 1.00 0.00 C ATOM 1273 CD LYS A 82 5.126 10.621 -8.939 1.00 0.00 C ATOM 1274 CE LYS A 82 4.648 11.996 -8.468 1.00 0.00 C ATOM 1275 NZ LYS A 82 5.207 13.063 -9.328 1.00 0.00 N ATOM 0 H LYS A 82 8.254 8.069 -7.595 1.00 0.00 H new ATOM 0 HA LYS A 82 6.097 8.264 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.414 8.100 -8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.801 8.071 -8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.458 10.154 -6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.925 10.224 -7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.770 10.735 -9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.271 10.022 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.559 12.036 -8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.952 12.158 -7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.872 13.989 -8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.246 13.034 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.896 12.916 -10.310 1.00 0.00 H new ATOM 1289 N LYS A 83 5.975 5.377 -7.519 1.00 0.00 N ATOM 1290 CA LYS A 83 5.432 4.032 -7.438 1.00 0.00 C ATOM 1291 C LYS A 83 5.562 3.520 -6.002 1.00 0.00 C ATOM 1292 O LYS A 83 4.569 3.420 -5.283 1.00 0.00 O ATOM 1293 CB LYS A 83 6.095 3.124 -8.476 1.00 0.00 C ATOM 1294 CG LYS A 83 5.180 2.915 -9.685 1.00 0.00 C ATOM 1295 CD LYS A 83 5.651 3.749 -10.879 1.00 0.00 C ATOM 1296 CE LYS A 83 6.371 2.875 -11.908 1.00 0.00 C ATOM 1297 NZ LYS A 83 5.837 3.126 -13.265 1.00 0.00 N ATOM 0 H LYS A 83 6.545 5.558 -8.345 1.00 0.00 H new ATOM 0 HA LYS A 83 4.370 4.035 -7.681 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.038 3.564 -8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.332 2.161 -8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.166 1.860 -9.957 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.158 3.191 -9.424 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.796 4.237 -11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.320 4.538 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.440 3.084 -11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.247 1.823 -11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.336 2.525 -13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.821 2.904 -13.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.978 4.126 -13.514 1.00 0.00 H new ATOM 1311 N LEU A 84 6.794 3.209 -5.627 1.00 0.00 N ATOM 1312 CA LEU A 84 7.066 2.710 -4.290 1.00 0.00 C ATOM 1313 C LEU A 84 6.196 3.463 -3.282 1.00 0.00 C ATOM 1314 O LEU A 84 5.253 2.899 -2.727 1.00 0.00 O ATOM 1315 CB LEU A 84 8.564 2.784 -3.985 1.00 0.00 C ATOM 1316 CG LEU A 84 9.420 1.649 -4.550 1.00 0.00 C ATOM 1317 CD1 LEU A 84 10.901 1.872 -4.238 1.00 0.00 C ATOM 1318 CD2 LEU A 84 8.928 0.289 -4.050 1.00 0.00 C ATOM 0 H LEU A 84 7.615 3.293 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 84 6.800 1.655 -4.216 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.947 3.728 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.694 2.806 -2.903 1.00 0.00 H new ATOM 0 HG LEU A 84 9.315 1.650 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.487 1.051 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.229 2.812 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.043 1.912 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.554 -0.500 -4.467 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.984 0.260 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.896 0.137 -4.365 1.00 0.00 H new ATOM 1330 N ALA A 85 6.542 4.725 -3.076 1.00 0.00 N ATOM 1331 CA ALA A 85 5.803 5.561 -2.145 1.00 0.00 C ATOM 1332 C ALA A 85 4.317 5.203 -2.212 1.00 0.00 C ATOM 1333 O ALA A 85 3.762 4.660 -1.258 1.00 0.00 O ATOM 1334 CB ALA A 85 6.063 7.034 -2.465 1.00 0.00 C ATOM 0 H ALA A 85 7.324 5.189 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 85 6.138 5.385 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.509 7.661 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.129 7.244 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.737 7.248 -3.483 1.00 0.00 H new ATOM 1340 N ALA A 86 3.716 5.521 -3.349 1.00 0.00 N ATOM 1341 CA ALA A 86 2.305 5.239 -3.553 1.00 0.00 C ATOM 1342 C ALA A 86 1.986 3.841 -3.020 1.00 0.00 C ATOM 1343 O ALA A 86 1.238 3.697 -2.055 1.00 0.00 O ATOM 1344 CB ALA A 86 1.964 5.389 -5.037 1.00 0.00 C ATOM 0 H ALA A 86 4.180 5.971 -4.138 1.00 0.00 H new ATOM 0 HA ALA A 86 1.688 5.950 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.906 5.178 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.181 6.408 -5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.562 4.689 -5.620 1.00 0.00 H new ATOM 1350 N GLN A 87 2.570 2.847 -3.673 1.00 0.00 N ATOM 1351 CA GLN A 87 2.357 1.465 -3.277 1.00 0.00 C ATOM 1352 C GLN A 87 2.237 1.362 -1.755 1.00 0.00 C ATOM 1353 O GLN A 87 1.148 1.142 -1.228 1.00 0.00 O ATOM 1354 CB GLN A 87 3.478 0.565 -3.800 1.00 0.00 C ATOM 1355 CG GLN A 87 2.944 -0.436 -4.827 1.00 0.00 C ATOM 1356 CD GLN A 87 3.928 -1.590 -5.031 1.00 0.00 C ATOM 1357 OE1 GLN A 87 3.576 -2.757 -4.974 1.00 0.00 O ATOM 1358 NE2 GLN A 87 5.176 -1.200 -5.271 1.00 0.00 N ATOM 0 H GLN A 87 3.190 2.971 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 87 1.423 1.121 -3.721 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.258 1.176 -4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.937 0.029 -2.969 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.983 -0.827 -4.493 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.769 0.070 -5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.402 -0.206 -5.305 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.908 -1.895 -5.421 1.00 0.00 H new ATOM 1367 N SER A 88 3.372 1.525 -1.091 1.00 0.00 N ATOM 1368 CA SER A 88 3.408 1.452 0.360 1.00 0.00 C ATOM 1369 C SER A 88 2.153 2.100 0.947 1.00 0.00 C ATOM 1370 O SER A 88 1.594 1.604 1.924 1.00 0.00 O ATOM 1371 CB SER A 88 4.663 2.130 0.914 1.00 0.00 C ATOM 1372 OG SER A 88 5.716 1.197 1.142 1.00 0.00 O ATOM 0 H SER A 88 4.274 1.707 -1.531 1.00 0.00 H new ATOM 0 HA SER A 88 3.437 0.402 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.001 2.895 0.215 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.419 2.637 1.848 1.00 0.00 H new ATOM 0 HG SER A 88 6.500 1.668 1.494 1.00 0.00 H new ATOM 1378 N CYS A 89 1.746 3.197 0.326 1.00 0.00 N ATOM 1379 CA CYS A 89 0.566 3.917 0.775 1.00 0.00 C ATOM 1380 C CYS A 89 -0.642 2.987 0.648 1.00 0.00 C ATOM 1381 O CYS A 89 -1.323 2.710 1.634 1.00 0.00 O ATOM 1382 CB CYS A 89 0.369 5.220 -0.003 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.543 6.430 1.024 1.00 0.00 S ATOM 0 H CYS A 89 2.212 3.605 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 89 0.689 4.209 1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.337 5.631 -0.291 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.181 5.024 -0.923 1.00 0.00 H new ATOM 0 HG CYS A 89 0.219 6.835 1.997 1.00 0.00 H new ATOM 1389 N ALA A 90 -0.871 2.532 -0.575 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.985 1.639 -0.844 1.00 0.00 C ATOM 1391 C ALA A 90 -2.043 0.561 0.240 1.00 0.00 C ATOM 1392 O ALA A 90 -2.941 0.568 1.080 1.00 0.00 O ATOM 1393 CB ALA A 90 -1.838 1.047 -2.247 1.00 0.00 C ATOM 0 H ALA A 90 -0.304 2.765 -1.390 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.928 2.184 -0.817 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.674 0.377 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.832 1.851 -2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.903 0.490 -2.311 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.073 -0.340 0.186 1.00 0.00 N ATOM 1400 CA LEU A 91 -1.002 -1.422 1.153 1.00 0.00 C ATOM 1401 C LEU A 91 -1.355 -0.884 2.541 1.00 0.00 C ATOM 1402 O LEU A 91 -1.988 -1.577 3.336 1.00 0.00 O ATOM 1403 CB LEU A 91 0.364 -2.109 1.089 1.00 0.00 C ATOM 1404 CG LEU A 91 0.595 -3.237 2.096 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.346 -4.413 1.827 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.063 -3.669 2.109 1.00 0.00 C ATOM 0 H LEU A 91 -0.330 -0.343 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.733 -2.194 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.499 -2.512 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.136 -1.354 1.236 1.00 0.00 H new ATOM 0 HG LEU A 91 0.362 -2.859 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.161 -5.201 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.380 -4.078 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.168 -4.799 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.200 -4.472 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.347 -4.022 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.689 -2.821 2.385 1.00 0.00 H new ATOM 1418 N SER A 92 -0.931 0.346 2.789 1.00 0.00 N ATOM 1419 CA SER A 92 -1.195 0.985 4.067 1.00 0.00 C ATOM 1420 C SER A 92 -2.702 1.032 4.327 1.00 0.00 C ATOM 1421 O SER A 92 -3.171 0.570 5.367 1.00 0.00 O ATOM 1422 CB SER A 92 -0.605 2.396 4.110 1.00 0.00 C ATOM 1423 OG SER A 92 -0.149 2.744 5.415 1.00 0.00 O ATOM 0 H SER A 92 -0.406 0.917 2.127 1.00 0.00 H new ATOM 0 HA SER A 92 -0.716 0.396 4.849 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.224 2.464 3.406 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.358 3.114 3.786 1.00 0.00 H new ATOM 0 HG SER A 92 0.222 3.651 5.401 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.419 1.594 3.365 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.864 1.707 3.477 1.00 0.00 C ATOM 1431 C LEU A 93 -5.483 0.309 3.465 1.00 0.00 C ATOM 1432 O LEU A 93 -6.440 0.043 4.191 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.414 2.633 2.391 1.00 0.00 C ATOM 1434 CG LEU A 93 -4.873 4.065 2.392 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -4.811 4.626 3.814 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.518 4.139 1.686 1.00 0.00 C ATOM 0 H LEU A 93 -3.027 1.976 2.504 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.138 2.168 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.202 2.187 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.498 2.675 2.493 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.564 4.692 1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.423 5.644 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.811 4.630 4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.154 4.004 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.156 5.167 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.804 3.495 2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.627 3.807 0.653 1.00 0.00 H new ATOM 1448 N VAL A 94 -4.912 -0.549 2.632 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.397 -1.914 2.516 1.00 0.00 C ATOM 1450 C VAL A 94 -5.327 -2.594 3.884 1.00 0.00 C ATOM 1451 O VAL A 94 -6.356 -2.867 4.500 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.608 -2.659 1.437 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.108 -4.098 1.287 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.669 -1.916 0.101 1.00 0.00 C ATOM 0 H VAL A 94 -4.119 -0.326 2.031 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.441 -1.923 2.202 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.565 -2.697 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.531 -4.605 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.989 -4.625 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.161 -4.090 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.100 -2.467 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.707 -1.831 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.243 -0.919 0.219 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.102 -2.849 4.321 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.884 -3.492 5.606 1.00 0.00 C ATOM 1466 C ARG A 95 -4.878 -2.961 6.640 1.00 0.00 C ATOM 1467 O ARG A 95 -5.578 -3.737 7.289 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.459 -3.250 6.108 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.433 -3.918 5.189 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.313 -4.571 6.001 1.00 0.00 C ATOM 1471 NE ARG A 95 0.803 -3.616 6.182 1.00 0.00 N ATOM 1472 CZ ARG A 95 2.071 -3.978 6.419 1.00 0.00 C ATOM 1473 NH1 ARG A 95 2.392 -5.277 6.505 1.00 0.00 N ATOM 1474 NH2 ARG A 95 3.019 -3.043 6.570 1.00 0.00 N ATOM 0 H ARG A 95 -3.250 -2.622 3.808 1.00 0.00 H new ATOM 0 HA ARG A 95 -4.033 -4.563 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.264 -2.179 6.158 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.355 -3.641 7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.926 -4.670 4.573 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.011 -3.177 4.510 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.693 -4.887 6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.043 -5.466 5.491 1.00 0.00 H new ATOM 0 HE ARG A 95 0.594 -2.619 6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.671 -5.989 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.357 -5.553 6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.776 -2.055 6.505 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.984 -3.320 6.750 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.909 -1.642 6.763 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.806 -0.999 7.707 1.00 0.00 C ATOM 1490 C GLN A 96 -7.253 -1.411 7.430 1.00 0.00 C ATOM 1491 O GLN A 96 -7.972 -1.817 8.342 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.651 0.523 7.662 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.597 0.997 8.664 1.00 0.00 C ATOM 1494 CD GLN A 96 -3.310 1.416 7.950 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -3.447 2.486 7.173 1.00 0.00 O flip ATOM 1496 NE2 GLN A 96 -2.263 0.807 8.096 1.00 0.00 N flip ATOM 0 H GLN A 96 -4.327 -1.001 6.224 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.541 -1.329 8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.367 0.834 6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.608 0.996 7.884 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.988 1.837 9.239 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.380 0.199 9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.228 -0.008 8.709 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.423 1.113 7.605 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.637 -1.292 6.168 1.00 0.00 N ATOM 1506 CA LEU A 97 -8.986 -1.647 5.759 1.00 0.00 C ATOM 1507 C LEU A 97 -9.337 -3.027 6.319 1.00 0.00 C ATOM 1508 O LEU A 97 -10.387 -3.202 6.936 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.129 -1.546 4.239 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.276 -0.132 3.672 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -8.913 -0.098 2.186 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.678 0.421 3.934 1.00 0.00 C ATOM 0 H LEU A 97 -7.038 -0.955 5.415 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.707 -0.942 6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.257 -2.011 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.998 -2.130 3.936 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.572 0.520 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.026 0.918 1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.880 -0.421 2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.574 -0.766 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.755 1.427 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.418 -0.224 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.861 0.455 5.008 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.438 -3.972 6.084 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.640 -5.331 6.558 1.00 0.00 C ATOM 1526 C TYR A 98 -8.718 -5.373 8.085 1.00 0.00 C ATOM 1527 O TYR A 98 -9.697 -5.864 8.647 1.00 0.00 O ATOM 1528 CB TYR A 98 -7.414 -6.123 6.100 1.00 0.00 C ATOM 1529 CG TYR A 98 -7.385 -7.569 6.600 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -8.303 -8.483 6.122 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -6.442 -7.960 7.528 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -8.276 -9.844 6.593 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -6.415 -9.320 7.998 1.00 0.00 C ATOM 1534 CZ TYR A 98 -7.333 -10.195 7.508 1.00 0.00 C ATOM 1535 OH TYR A 98 -7.307 -11.480 7.952 1.00 0.00 O ATOM 0 H TYR A 98 -7.568 -3.823 5.572 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.572 -5.740 6.167 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.382 -6.125 5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.515 -5.612 6.444 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -9.041 -8.178 5.395 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.724 -7.245 7.902 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -8.988 -10.569 6.228 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.682 -9.639 8.724 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.581 -11.587 8.601 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.675 -4.852 8.714 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.614 -4.825 10.166 1.00 0.00 C ATOM 1547 C HIS A 99 -8.970 -4.397 10.729 1.00 0.00 C ATOM 1548 O HIS A 99 -9.585 -5.130 11.502 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.465 -3.934 10.644 1.00 0.00 C ATOM 1550 CG HIS A 99 -6.907 -2.762 11.487 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -7.718 -2.903 12.600 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -6.643 -1.429 11.370 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -7.927 -1.702 13.120 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.260 -0.790 12.356 1.00 0.00 N ATOM 0 H HIS A 99 -6.866 -4.445 8.245 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.403 -5.825 10.544 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -5.765 -4.539 11.220 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.923 -3.560 9.775 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.035 -0.971 10.604 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.521 -1.484 13.995 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.239 0.217 12.516 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.398 -3.211 10.319 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.670 -2.677 10.773 1.00 0.00 C ATOM 1564 C LEU A 100 -11.780 -3.683 10.464 1.00 0.00 C ATOM 1565 O LEU A 100 -12.594 -4.000 11.331 1.00 0.00 O ATOM 1566 CB LEU A 100 -10.913 -1.290 10.174 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.015 -0.167 10.697 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.099 1.067 9.795 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -10.344 0.165 12.154 1.00 0.00 C ATOM 0 H LEU A 100 -8.886 -2.606 9.677 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.660 -2.535 11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.787 -1.356 9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.951 -1.013 10.358 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.982 -0.515 10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.452 1.850 10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.778 0.804 8.787 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.127 1.427 9.766 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.691 0.966 12.501 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.383 0.486 12.228 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.192 -0.720 12.772 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.778 -4.158 9.227 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.775 -5.122 8.794 1.00 0.00 C ATOM 1583 C GLY A 101 -13.562 -4.594 7.593 1.00 0.00 C ATOM 1584 O GLY A 101 -14.792 -4.575 7.612 1.00 0.00 O ATOM 0 H GLY A 101 -11.102 -3.893 8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.288 -6.061 8.530 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.459 -5.337 9.615 1.00 0.00 H new ATOM 1588 N VAL A 102 -12.821 -4.177 6.577 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.435 -3.650 5.370 1.00 0.00 C ATOM 1590 C VAL A 102 -13.161 -4.604 4.205 1.00 0.00 C ATOM 1591 O VAL A 102 -14.034 -4.835 3.369 1.00 0.00 O ATOM 1592 CB VAL A 102 -12.936 -2.228 5.107 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -13.545 -1.661 3.823 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -13.226 -1.316 6.301 1.00 0.00 C ATOM 0 H VAL A 102 -11.801 -4.193 6.565 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.516 -3.584 5.489 1.00 0.00 H new ATOM 0 HB VAL A 102 -11.855 -2.272 4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.174 -0.649 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -13.265 -2.291 2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -14.631 -1.638 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.861 -0.311 6.088 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -14.301 -1.282 6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.723 -1.705 7.186 1.00 0.00 H new ATOM 1604 N ILE A 103 -11.946 -5.132 4.187 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.547 -6.055 3.139 1.00 0.00 C ATOM 1606 C ILE A 103 -11.328 -7.443 3.745 1.00 0.00 C ATOM 1607 O ILE A 103 -11.422 -7.617 4.959 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.331 -5.515 2.384 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.256 -5.023 3.356 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.742 -4.430 1.387 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -7.909 -4.865 2.648 1.00 0.00 C ATOM 0 H ILE A 103 -11.225 -4.938 4.882 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.338 -6.152 2.395 1.00 0.00 H new ATOM 0 HB ILE A 103 -9.896 -6.332 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.559 -4.069 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.157 -5.728 4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.859 -4.063 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.445 -4.846 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.216 -3.606 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.162 -4.514 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.598 -5.826 2.240 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.006 -4.141 1.839 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.040 -8.397 2.871 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.807 -9.764 3.304 1.00 0.00 C ATOM 1625 C GLU A 104 -9.527 -10.311 2.670 1.00 0.00 C ATOM 1626 O GLU A 104 -9.230 -10.020 1.512 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.006 -10.655 2.975 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.362 -10.569 1.490 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.820 -10.144 1.299 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -14.146 -9.021 1.740 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.575 -10.953 0.717 1.00 0.00 O ATOM 0 H GLU A 104 -10.963 -8.250 1.865 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.682 -9.765 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.779 -11.688 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.864 -10.353 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.704 -9.855 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.196 -11.537 1.016 1.00 0.00 H new ATOM 1638 N ALA A 105 -8.802 -11.093 3.456 1.00 0.00 N ATOM 1639 CA ALA A 105 -7.561 -11.684 2.985 1.00 0.00 C ATOM 1640 C ALA A 105 -7.715 -12.084 1.517 1.00 0.00 C ATOM 1641 O ALA A 105 -8.637 -12.817 1.163 1.00 0.00 O ATOM 1642 CB ALA A 105 -7.189 -12.870 3.877 1.00 0.00 C ATOM 0 H ALA A 105 -9.050 -11.331 4.416 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.746 -10.963 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.258 -13.313 3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.061 -12.527 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.983 -13.616 3.840 1.00 0.00 H new ATOM 1648 N TYR A 106 -6.799 -11.583 0.701 1.00 0.00 N ATOM 1649 CA TYR A 106 -6.822 -11.880 -0.722 1.00 0.00 C ATOM 1650 C TYR A 106 -7.110 -13.362 -0.969 1.00 0.00 C ATOM 1651 O TYR A 106 -7.078 -14.167 -0.040 1.00 0.00 O ATOM 1652 CB TYR A 106 -5.422 -11.550 -1.244 1.00 0.00 C ATOM 1653 CG TYR A 106 -5.367 -11.281 -2.749 1.00 0.00 C ATOM 1654 CD1 TYR A 106 -6.523 -10.972 -3.438 1.00 0.00 C ATOM 1655 CD2 TYR A 106 -4.162 -11.347 -3.418 1.00 0.00 C ATOM 1656 CE1 TYR A 106 -6.471 -10.719 -4.855 1.00 0.00 C ATOM 1657 CE2 TYR A 106 -4.110 -11.094 -4.835 1.00 0.00 C ATOM 1658 CZ TYR A 106 -5.267 -10.793 -5.483 1.00 0.00 C ATOM 1659 OH TYR A 106 -5.217 -10.554 -6.821 1.00 0.00 O ATOM 0 H TYR A 106 -6.037 -10.974 0.998 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.601 -11.304 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -5.045 -10.675 -0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.753 -12.378 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.466 -10.920 -2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.258 -11.588 -2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.368 -10.476 -5.406 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.173 -11.142 -5.371 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.293 -10.641 -7.134 1.00 0.00 H new ATOM 1669 N SER A 107 -7.384 -13.677 -2.226 1.00 0.00 N ATOM 1670 CA SER A 107 -7.678 -15.048 -2.607 1.00 0.00 C ATOM 1671 C SER A 107 -6.961 -15.393 -3.914 1.00 0.00 C ATOM 1672 O SER A 107 -7.430 -16.233 -4.680 1.00 0.00 O ATOM 1673 CB SER A 107 -9.184 -15.269 -2.754 1.00 0.00 C ATOM 1674 OG SER A 107 -9.664 -16.282 -1.873 1.00 0.00 O ATOM 0 H SER A 107 -7.409 -13.006 -2.994 1.00 0.00 H new ATOM 0 HA SER A 107 -7.318 -15.707 -1.817 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.709 -14.335 -2.553 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.411 -15.547 -3.783 1.00 0.00 H new ATOM 0 HG SER A 107 -10.630 -16.392 -1.996 1.00 0.00 H new ATOM 1680 N SER A 108 -5.836 -14.726 -4.128 1.00 0.00 N ATOM 1681 CA SER A 108 -5.050 -14.952 -5.330 1.00 0.00 C ATOM 1682 C SER A 108 -4.627 -16.420 -5.411 1.00 0.00 C ATOM 1683 O SER A 108 -4.894 -17.092 -6.405 1.00 0.00 O ATOM 1684 CB SER A 108 -3.820 -14.043 -5.362 1.00 0.00 C ATOM 1685 OG SER A 108 -2.687 -14.697 -5.927 1.00 0.00 O ATOM 0 H SER A 108 -5.450 -14.030 -3.490 1.00 0.00 H new ATOM 0 HA SER A 108 -5.669 -14.711 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.047 -13.147 -5.940 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.583 -13.718 -4.349 1.00 0.00 H new ATOM 0 HG SER A 108 -1.923 -14.083 -5.931 1.00 0.00 H new ATOM 1691 N GLY A 109 -3.975 -16.874 -4.351 1.00 0.00 N ATOM 1692 CA GLY A 109 -3.512 -18.250 -4.290 1.00 0.00 C ATOM 1693 C GLY A 109 -2.026 -18.345 -4.639 1.00 0.00 C ATOM 1694 O GLY A 109 -1.467 -17.432 -5.244 1.00 0.00 O ATOM 0 H GLY A 109 -3.756 -16.313 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -3.681 -18.650 -3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -4.091 -18.863 -4.980 1.00 0.00 H new ATOM 1698 N PRO A 110 -1.412 -19.489 -4.233 1.00 0.00 N ATOM 1699 CA PRO A 110 -0.001 -19.715 -4.497 1.00 0.00 C ATOM 1700 C PRO A 110 0.232 -20.071 -5.966 1.00 0.00 C ATOM 1701 O PRO A 110 0.025 -21.214 -6.372 1.00 0.00 O ATOM 1702 CB PRO A 110 0.404 -20.828 -3.544 1.00 0.00 C ATOM 1703 CG PRO A 110 -0.890 -21.500 -3.114 1.00 0.00 C ATOM 1704 CD PRO A 110 -2.042 -20.592 -3.514 1.00 0.00 C ATOM 0 HA PRO A 110 0.606 -18.825 -4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.069 -21.539 -4.034 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.942 -20.429 -2.684 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -0.990 -22.476 -3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.893 -21.669 -2.037 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.760 -21.117 -4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.587 -20.235 -2.640 1.00 0.00 H new ATOM 1712 N SER A 111 0.659 -19.072 -6.724 1.00 0.00 N ATOM 1713 CA SER A 111 0.922 -19.266 -8.140 1.00 0.00 C ATOM 1714 C SER A 111 2.249 -18.607 -8.521 1.00 0.00 C ATOM 1715 O SER A 111 3.241 -19.294 -8.759 1.00 0.00 O ATOM 1716 CB SER A 111 -0.216 -18.701 -8.994 1.00 0.00 C ATOM 1717 OG SER A 111 -0.748 -19.676 -9.886 1.00 0.00 O ATOM 0 H SER A 111 0.829 -18.125 -6.384 1.00 0.00 H new ATOM 0 HA SER A 111 0.987 -20.337 -8.332 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.010 -18.333 -8.343 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.149 -17.847 -9.565 1.00 0.00 H new ATOM 0 HG SER A 111 -1.473 -19.277 -10.412 1.00 0.00 H new ATOM 1723 N SER A 112 2.224 -17.283 -8.566 1.00 0.00 N ATOM 1724 CA SER A 112 3.413 -16.523 -8.913 1.00 0.00 C ATOM 1725 C SER A 112 3.915 -15.749 -7.693 1.00 0.00 C ATOM 1726 O SER A 112 5.117 -15.541 -7.537 1.00 0.00 O ATOM 1727 CB SER A 112 3.135 -15.565 -10.073 1.00 0.00 C ATOM 1728 OG SER A 112 1.761 -15.191 -10.138 1.00 0.00 O ATOM 0 H SER A 112 1.399 -16.717 -8.368 1.00 0.00 H new ATOM 0 HA SER A 112 4.185 -17.223 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.749 -14.672 -9.961 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.427 -16.037 -11.011 1.00 0.00 H new ATOM 0 HG SER A 112 1.624 -14.578 -10.890 1.00 0.00 H new ATOM 1734 N GLY A 113 2.968 -15.343 -6.859 1.00 0.00 N ATOM 1735 CA GLY A 113 3.299 -14.596 -5.658 1.00 0.00 C ATOM 1736 C GLY A 113 4.023 -13.293 -6.004 1.00 0.00 C ATOM 1737 O GLY A 113 3.420 -12.221 -5.988 1.00 0.00 O ATOM 0 H GLY A 113 1.972 -15.518 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.389 -14.373 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.929 -15.205 -5.009 1.00 0.00 H new TER 1741 GLY A 113