USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 683 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 33 TYR OH : rot 110:sc= -2.41! USER MOD Set 1.2: A 67 MET CE :methyl -166:sc= -0.123 (180deg=-0.597) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= -2.1! USER MOD Single : A 7 ASN : amide:sc= -3.52 K(o=-3.5,f=-6.2!) USER MOD Single : A 11 ASN : amide:sc= -5.18! C(o=-5.2!,f=-14!) USER MOD Single : A 13 ASN :FLIP amide:sc= -0.31 F(o=-1.6,f=-0.31) USER MOD Single : A 16 GLN : amide:sc= -0.0985 K(o=-0.099,f=-0.68) USER MOD Single : A 17 SER OG : rot -81:sc= 0.828 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.495 F(o=-1.8,f=-0.5) USER MOD Single : A 23 LYS NZ :NH3+ -134:sc= -3.71! (180deg=-4.42!) USER MOD Single : A 27 GLN : amide:sc= -0.0999 X(o=-0.1,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= -1.01! USER MOD Single : A 64 GLN : amide:sc= -2.82! C(o=-2.8!,f=-2.8!) USER MOD Single : A 73 ASN : amide:sc= -2.82! C(o=-2.8!,f=-8.3!) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.812! F(o=-1.4,f=-0.81!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -167:sc= -0.0334 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.504 -11.684 5.632 1.00 0.00 N ATOM 2 CA MET A 1 -7.033 -12.543 4.507 1.00 0.00 C ATOM 3 C MET A 1 -5.555 -12.268 4.214 1.00 0.00 C ATOM 4 O MET A 1 -4.750 -13.174 4.138 1.00 0.00 O ATOM 5 CB MET A 1 -7.899 -12.141 3.313 1.00 0.00 C ATOM 6 CG MET A 1 -8.967 -13.210 3.072 1.00 0.00 C ATOM 7 SD MET A 1 -10.500 -12.732 3.906 1.00 0.00 S ATOM 8 CE MET A 1 -11.646 -13.372 2.661 1.00 0.00 C ATOM 0 H1 MET A 1 -8.508 -11.880 5.821 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.944 -11.890 6.484 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.389 -10.683 5.376 1.00 0.00 H new ATOM 0 HA MET A 1 -7.119 -13.605 4.735 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.371 -11.177 3.501 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.279 -12.024 2.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.144 -13.328 2.003 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.622 -14.174 3.446 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.671 -13.181 2.978 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.462 -12.876 1.708 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.496 -14.445 2.546 1.00 0.00 H new ATOM 20 N ARG A 2 -5.194 -11.026 4.050 1.00 0.00 N ATOM 21 CA ARG A 2 -3.767 -10.699 3.761 1.00 0.00 C ATOM 22 C ARG A 2 -3.537 -9.189 3.866 1.00 0.00 C ATOM 23 O ARG A 2 -4.457 -8.424 4.073 1.00 0.00 O ATOM 24 CB ARG A 2 -3.537 -11.180 2.329 1.00 0.00 C ATOM 25 CG ARG A 2 -2.552 -12.349 2.335 1.00 0.00 C ATOM 26 CD ARG A 2 -3.113 -13.495 1.491 1.00 0.00 C ATOM 27 NE ARG A 2 -2.079 -13.745 0.450 1.00 0.00 N ATOM 28 CZ ARG A 2 -2.430 -13.906 -0.797 1.00 0.00 C ATOM 29 NH1 ARG A 2 -2.532 -12.870 -1.584 1.00 0.00 N ATOM 30 NH2 ARG A 2 -2.680 -15.101 -1.256 1.00 0.00 N ATOM 0 H ARG A 2 -5.822 -10.224 4.103 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.083 -11.171 4.466 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.482 -11.489 1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.147 -10.365 1.719 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.589 -12.029 1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.379 -12.687 3.357 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.286 -14.384 2.097 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.069 -13.224 1.042 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.094 -13.791 0.711 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.338 -11.935 -1.225 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.806 -12.995 -2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.601 -15.911 -0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.954 -15.226 -2.230 1.00 0.00 H new ATOM 44 N ARG A 3 -2.313 -8.755 3.729 1.00 0.00 N ATOM 45 CA ARG A 3 -2.024 -7.294 3.825 1.00 0.00 C ATOM 46 C ARG A 3 -2.083 -6.648 2.439 1.00 0.00 C ATOM 47 O ARG A 3 -1.443 -7.096 1.508 1.00 0.00 O ATOM 48 CB ARG A 3 -0.605 -7.213 4.389 1.00 0.00 C ATOM 49 CG ARG A 3 -0.646 -7.372 5.910 1.00 0.00 C ATOM 50 CD ARG A 3 0.176 -8.596 6.319 1.00 0.00 C ATOM 51 NE ARG A 3 -0.820 -9.561 6.862 1.00 0.00 N ATOM 52 CZ ARG A 3 -0.711 -9.993 8.089 1.00 0.00 C ATOM 53 NH1 ARG A 3 0.463 -10.294 8.574 1.00 0.00 N ATOM 54 NH2 ARG A 3 -1.778 -10.126 8.829 1.00 0.00 N ATOM 0 H ARG A 3 -1.501 -9.348 3.555 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.747 -6.770 4.450 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.017 -7.992 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.152 -6.257 4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -0.249 -6.478 6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.677 -7.484 6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.710 -9.016 5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.925 -8.337 7.068 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.588 -9.885 6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 3 1.296 -10.192 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.547 -10.631 9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.695 -9.893 8.448 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.695 -10.463 9.788 1.00 0.00 H new ATOM 68 N TYR A 4 -2.843 -5.595 2.291 1.00 0.00 N ATOM 69 CA TYR A 4 -2.931 -4.929 0.967 1.00 0.00 C ATOM 70 C TYR A 4 -2.594 -3.443 1.108 1.00 0.00 C ATOM 71 O TYR A 4 -2.604 -2.893 2.191 1.00 0.00 O ATOM 72 CB TYR A 4 -4.385 -5.094 0.541 1.00 0.00 C ATOM 73 CG TYR A 4 -4.768 -6.556 0.565 1.00 0.00 C ATOM 74 CD1 TYR A 4 -5.298 -7.121 1.732 1.00 0.00 C ATOM 75 CD2 TYR A 4 -4.604 -7.343 -0.582 1.00 0.00 C ATOM 76 CE1 TYR A 4 -5.661 -8.473 1.752 1.00 0.00 C ATOM 77 CE2 TYR A 4 -4.966 -8.695 -0.560 1.00 0.00 C ATOM 78 CZ TYR A 4 -5.494 -9.260 0.606 1.00 0.00 C ATOM 79 OH TYR A 4 -5.855 -10.592 0.627 1.00 0.00 O ATOM 0 H TYR A 4 -3.404 -5.171 3.030 1.00 0.00 H new ATOM 0 HA TYR A 4 -2.237 -5.355 0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.035 -4.528 1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.527 -4.689 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.427 -6.514 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.198 -6.907 -1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -6.070 -8.909 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.838 -9.302 -1.444 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.675 -10.993 -0.249 1.00 0.00 H new ATOM 89 N GLU A 5 -2.312 -2.792 0.018 1.00 0.00 N ATOM 90 CA GLU A 5 -1.991 -1.340 0.077 1.00 0.00 C ATOM 91 C GLU A 5 -3.085 -0.548 -0.638 1.00 0.00 C ATOM 92 O GLU A 5 -3.532 -0.924 -1.704 1.00 0.00 O ATOM 93 CB GLU A 5 -0.655 -1.199 -0.655 1.00 0.00 C ATOM 94 CG GLU A 5 -0.840 -1.542 -2.135 1.00 0.00 C ATOM 95 CD GLU A 5 0.461 -1.267 -2.892 1.00 0.00 C ATOM 96 OE1 GLU A 5 0.762 -0.106 -3.111 1.00 0.00 O ATOM 97 OE2 GLU A 5 1.134 -2.224 -3.240 1.00 0.00 O ATOM 0 H GLU A 5 -2.290 -3.203 -0.915 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.931 -0.962 1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.278 -0.181 -0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 5 0.087 -1.861 -0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.121 -2.589 -2.244 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.651 -0.949 -2.558 1.00 0.00 H new ATOM 104 N VAL A 6 -3.533 0.538 -0.071 1.00 0.00 N ATOM 105 CA VAL A 6 -4.606 1.320 -0.752 1.00 0.00 C ATOM 106 C VAL A 6 -4.041 2.630 -1.302 1.00 0.00 C ATOM 107 O VAL A 6 -3.472 3.424 -0.581 1.00 0.00 O ATOM 108 CB VAL A 6 -5.652 1.596 0.322 1.00 0.00 C ATOM 109 CG1 VAL A 6 -6.959 2.037 -0.340 1.00 0.00 C ATOM 110 CG2 VAL A 6 -5.899 0.326 1.140 1.00 0.00 C ATOM 0 H VAL A 6 -3.210 0.914 0.820 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.030 0.778 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.292 2.386 0.981 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.707 2.234 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.786 2.944 -0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.317 1.247 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.647 0.527 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.257 -0.466 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.969 0.012 1.614 1.00 0.00 H new ATOM 120 N ASN A 7 -4.195 2.858 -2.577 1.00 0.00 N ATOM 121 CA ASN A 7 -3.669 4.110 -3.181 1.00 0.00 C ATOM 122 C ASN A 7 -4.779 5.163 -3.258 1.00 0.00 C ATOM 123 O ASN A 7 -5.591 5.160 -4.162 1.00 0.00 O ATOM 124 CB ASN A 7 -3.204 3.695 -4.578 1.00 0.00 C ATOM 125 CG ASN A 7 -3.124 4.920 -5.488 1.00 0.00 C ATOM 126 OD1 ASN A 7 -2.900 6.021 -5.027 1.00 0.00 O ATOM 127 ND2 ASN A 7 -3.297 4.771 -6.770 1.00 0.00 N ATOM 0 H ASN A 7 -4.664 2.228 -3.227 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.861 4.555 -2.600 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.228 3.213 -4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.895 2.964 -4.998 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.244 5.580 -7.389 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.485 3.845 -7.155 1.00 0.00 H new ATOM 134 N ILE A 8 -4.819 6.064 -2.314 1.00 0.00 N ATOM 135 CA ILE A 8 -5.874 7.118 -2.329 1.00 0.00 C ATOM 136 C ILE A 8 -5.258 8.474 -2.687 1.00 0.00 C ATOM 137 O ILE A 8 -4.269 8.888 -2.114 1.00 0.00 O ATOM 138 CB ILE A 8 -6.433 7.136 -0.907 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.189 5.832 -0.646 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.389 8.320 -0.746 1.00 0.00 C ATOM 141 CD1 ILE A 8 -8.186 5.588 -1.780 1.00 0.00 C ATOM 0 H ILE A 8 -4.166 6.116 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.651 6.919 -3.067 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.614 7.234 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.488 5.000 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.713 5.887 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.787 8.331 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.852 9.249 -0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.210 8.224 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.726 4.659 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.893 6.416 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.650 5.515 -2.726 1.00 0.00 H new ATOM 153 N VAL A 9 -5.833 9.167 -3.632 1.00 0.00 N ATOM 154 CA VAL A 9 -5.278 10.493 -4.027 1.00 0.00 C ATOM 155 C VAL A 9 -6.256 11.608 -3.646 1.00 0.00 C ATOM 156 O VAL A 9 -7.410 11.589 -4.022 1.00 0.00 O ATOM 157 CB VAL A 9 -5.116 10.417 -5.546 1.00 0.00 C ATOM 158 CG1 VAL A 9 -6.496 10.352 -6.205 1.00 0.00 C ATOM 159 CG2 VAL A 9 -4.376 11.661 -6.041 1.00 0.00 C ATOM 0 H VAL A 9 -6.663 8.873 -4.147 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.335 10.713 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.546 9.525 -5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.380 10.298 -7.287 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.026 9.468 -5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.066 11.244 -5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.260 11.608 -7.123 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.947 12.552 -5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.393 11.710 -5.572 1.00 0.00 H new ATOM 169 N LEU A 10 -5.803 12.578 -2.901 1.00 0.00 N ATOM 170 CA LEU A 10 -6.709 13.690 -2.496 1.00 0.00 C ATOM 171 C LEU A 10 -6.262 15.000 -3.155 1.00 0.00 C ATOM 172 O LEU A 10 -5.113 15.164 -3.514 1.00 0.00 O ATOM 173 CB LEU A 10 -6.568 13.776 -0.977 1.00 0.00 C ATOM 174 CG LEU A 10 -7.272 12.581 -0.329 1.00 0.00 C ATOM 175 CD1 LEU A 10 -6.310 11.878 0.629 1.00 0.00 C ATOM 176 CD2 LEU A 10 -8.497 13.071 0.447 1.00 0.00 C ATOM 0 H LEU A 10 -4.846 12.649 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.741 13.519 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.514 13.785 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.001 14.708 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.587 11.882 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.812 11.027 1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.437 11.529 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.994 12.576 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.999 12.221 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.181 13.770 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.184 13.571 -0.236 1.00 0.00 H new ATOM 188 N ASN A 11 -7.161 15.932 -3.319 1.00 0.00 N ATOM 189 CA ASN A 11 -6.784 17.227 -3.956 1.00 0.00 C ATOM 190 C ASN A 11 -6.062 18.126 -2.947 1.00 0.00 C ATOM 191 O ASN A 11 -6.453 18.212 -1.800 1.00 0.00 O ATOM 192 CB ASN A 11 -8.109 17.855 -4.390 1.00 0.00 C ATOM 193 CG ASN A 11 -7.847 19.251 -4.960 1.00 0.00 C ATOM 194 OD1 ASN A 11 -7.383 20.129 -4.259 1.00 0.00 O ATOM 195 ND2 ASN A 11 -8.127 19.497 -6.211 1.00 0.00 N ATOM 0 H ASN A 11 -8.139 15.853 -3.040 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.104 17.091 -4.797 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.593 17.229 -5.140 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.789 17.919 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.956 20.425 -6.599 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.516 18.761 -6.801 1.00 0.00 H new ATOM 202 N PRO A 12 -5.023 18.765 -3.416 1.00 0.00 N ATOM 203 CA PRO A 12 -4.222 19.664 -2.558 1.00 0.00 C ATOM 204 C PRO A 12 -4.850 21.058 -2.510 1.00 0.00 C ATOM 205 O PRO A 12 -4.189 22.057 -2.711 1.00 0.00 O ATOM 206 CB PRO A 12 -2.870 19.705 -3.261 1.00 0.00 C ATOM 207 CG PRO A 12 -3.153 19.389 -4.701 1.00 0.00 C ATOM 208 CD PRO A 12 -4.500 18.706 -4.780 1.00 0.00 C ATOM 0 HA PRO A 12 -4.155 19.326 -1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.405 20.686 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.181 18.979 -2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.154 20.302 -5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.375 18.743 -5.108 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.162 19.215 -5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.403 17.676 -5.123 1.00 0.00 H new ATOM 216 N ASN A 13 -6.121 21.128 -2.244 1.00 0.00 N ATOM 217 CA ASN A 13 -6.800 22.456 -2.181 1.00 0.00 C ATOM 218 C ASN A 13 -6.800 22.990 -0.745 1.00 0.00 C ATOM 219 O ASN A 13 -6.204 24.007 -0.451 1.00 0.00 O ATOM 220 CB ASN A 13 -8.229 22.194 -2.653 1.00 0.00 C ATOM 221 CG ASN A 13 -9.087 23.430 -2.382 1.00 0.00 C ATOM 222 OD1 ASN A 13 -8.515 24.602 -2.313 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -10.288 23.331 -2.232 1.00 0.00 N flip ATOM 0 H ASN A 13 -6.723 20.324 -2.067 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.296 23.203 -2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -8.235 21.960 -3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.643 21.329 -2.134 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.735 22.416 -2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.850 24.163 -2.052 1.00 0.00 H new ATOM 230 N LEU A 14 -7.468 22.314 0.149 1.00 0.00 N ATOM 231 CA LEU A 14 -7.513 22.784 1.564 1.00 0.00 C ATOM 232 C LEU A 14 -6.114 22.734 2.186 1.00 0.00 C ATOM 233 O LEU A 14 -5.237 22.038 1.713 1.00 0.00 O ATOM 234 CB LEU A 14 -8.455 21.807 2.269 1.00 0.00 C ATOM 235 CG LEU A 14 -9.748 22.527 2.661 1.00 0.00 C ATOM 236 CD1 LEU A 14 -10.232 23.401 1.500 1.00 0.00 C ATOM 237 CD2 LEU A 14 -10.823 21.489 2.994 1.00 0.00 C ATOM 0 H LEU A 14 -7.985 21.455 -0.039 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.855 23.815 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.680 20.967 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.972 21.398 3.156 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.559 23.157 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.152 23.910 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.469 24.141 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -10.420 22.775 0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.746 21.998 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.005 20.861 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.485 20.868 3.824 1.00 0.00 H new ATOM 249 N ASP A 15 -5.898 23.472 3.241 1.00 0.00 N ATOM 250 CA ASP A 15 -4.556 23.472 3.892 1.00 0.00 C ATOM 251 C ASP A 15 -4.376 22.216 4.748 1.00 0.00 C ATOM 252 O ASP A 15 -5.251 21.377 4.831 1.00 0.00 O ATOM 253 CB ASP A 15 -4.544 24.725 4.768 1.00 0.00 C ATOM 254 CG ASP A 15 -5.708 24.667 5.759 1.00 0.00 C ATOM 255 OD1 ASP A 15 -5.605 23.923 6.719 1.00 0.00 O ATOM 256 OD2 ASP A 15 -6.682 25.369 5.540 1.00 0.00 O ATOM 0 H ASP A 15 -6.593 24.075 3.681 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.745 23.473 3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.598 24.797 5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.626 25.617 4.147 1.00 0.00 H new ATOM 261 N GLN A 16 -3.245 22.080 5.387 1.00 0.00 N ATOM 262 CA GLN A 16 -3.006 20.879 6.237 1.00 0.00 C ATOM 263 C GLN A 16 -4.071 20.788 7.334 1.00 0.00 C ATOM 264 O GLN A 16 -4.626 19.737 7.587 1.00 0.00 O ATOM 265 CB GLN A 16 -1.620 21.093 6.849 1.00 0.00 C ATOM 266 CG GLN A 16 -1.421 20.121 8.014 1.00 0.00 C ATOM 267 CD GLN A 16 0.074 19.950 8.291 1.00 0.00 C ATOM 268 OE1 GLN A 16 0.856 19.767 7.378 1.00 0.00 O ATOM 269 NE2 GLN A 16 0.507 20.000 9.520 1.00 0.00 N ATOM 0 H GLN A 16 -2.476 22.749 5.357 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.058 19.952 5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.849 20.936 6.094 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.519 22.121 7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.925 20.497 8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.870 19.156 7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.149 20.154 10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.502 19.886 9.715 1.00 0.00 H new ATOM 278 N SER A 17 -4.359 21.879 7.989 1.00 0.00 N ATOM 279 CA SER A 17 -5.382 21.851 9.067 1.00 0.00 C ATOM 280 C SER A 17 -6.702 21.297 8.526 1.00 0.00 C ATOM 281 O SER A 17 -7.325 20.448 9.131 1.00 0.00 O ATOM 282 CB SER A 17 -5.547 23.308 9.497 1.00 0.00 C ATOM 283 OG SER A 17 -6.748 23.831 8.943 1.00 0.00 O ATOM 0 H SER A 17 -3.929 22.789 7.823 1.00 0.00 H new ATOM 0 HA SER A 17 -5.087 21.213 9.900 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.575 23.377 10.584 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.693 23.896 9.162 1.00 0.00 H new ATOM 0 HG SER A 17 -6.590 24.099 8.014 1.00 0.00 H new ATOM 289 N GLN A 18 -7.129 21.765 7.386 1.00 0.00 N ATOM 290 CA GLN A 18 -8.404 21.257 6.805 1.00 0.00 C ATOM 291 C GLN A 18 -8.230 19.794 6.393 1.00 0.00 C ATOM 292 O GLN A 18 -9.069 18.956 6.660 1.00 0.00 O ATOM 293 CB GLN A 18 -8.657 22.134 5.579 1.00 0.00 C ATOM 294 CG GLN A 18 -9.312 23.446 6.013 1.00 0.00 C ATOM 295 CD GLN A 18 -10.835 23.293 5.981 1.00 0.00 C ATOM 296 OE1 GLN A 18 -11.502 23.756 4.959 1.00 0.00 O flip ATOM 297 NE2 GLN A 18 -11.422 22.748 6.894 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.651 22.476 6.832 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.235 21.300 7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.718 22.337 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.301 21.611 4.872 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.984 23.713 7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.003 24.255 5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -10.900 22.386 7.692 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.437 22.652 6.862 1.00 0.00 H new ATOM 306 N LEU A 19 -7.141 19.486 5.747 1.00 0.00 N ATOM 307 CA LEU A 19 -6.892 18.082 5.314 1.00 0.00 C ATOM 308 C LEU A 19 -6.797 17.160 6.533 1.00 0.00 C ATOM 309 O LEU A 19 -7.216 16.020 6.495 1.00 0.00 O ATOM 310 CB LEU A 19 -5.554 18.134 4.576 1.00 0.00 C ATOM 311 CG LEU A 19 -5.050 16.713 4.322 1.00 0.00 C ATOM 312 CD1 LEU A 19 -5.837 16.090 3.168 1.00 0.00 C ATOM 313 CD2 LEU A 19 -3.564 16.760 3.957 1.00 0.00 C ATOM 0 H LEU A 19 -6.408 20.150 5.499 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.693 17.693 4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.670 18.664 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.824 18.689 5.165 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.188 16.112 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.477 15.077 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.896 16.059 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.699 16.690 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.202 15.748 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.429 17.361 3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.002 17.205 4.778 1.00 0.00 H new ATOM 325 N ALA A 20 -6.243 17.640 7.613 1.00 0.00 N ATOM 326 CA ALA A 20 -6.117 16.791 8.826 1.00 0.00 C ATOM 327 C ALA A 20 -7.496 16.294 9.265 1.00 0.00 C ATOM 328 O ALA A 20 -7.658 15.169 9.693 1.00 0.00 O ATOM 329 CB ALA A 20 -5.512 17.708 9.888 1.00 0.00 C ATOM 0 H ALA A 20 -5.872 18.586 7.705 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.502 15.908 8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.386 17.154 10.818 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.542 18.069 9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.176 18.556 10.057 1.00 0.00 H new ATOM 335 N LEU A 21 -8.487 17.133 9.163 1.00 0.00 N ATOM 336 CA LEU A 21 -9.857 16.730 9.574 1.00 0.00 C ATOM 337 C LEU A 21 -10.357 15.567 8.711 1.00 0.00 C ATOM 338 O LEU A 21 -11.143 14.748 9.144 1.00 0.00 O ATOM 339 CB LEU A 21 -10.709 17.989 9.366 1.00 0.00 C ATOM 340 CG LEU A 21 -11.253 18.044 7.936 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.596 17.315 7.872 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.448 19.504 7.523 1.00 0.00 C ATOM 0 H LEU A 21 -8.405 18.087 8.810 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.900 16.378 10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.536 17.996 10.076 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.110 18.877 9.567 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.546 17.564 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -12.983 17.354 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.460 16.275 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.303 17.795 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.835 19.546 6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.156 19.982 8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.492 20.026 7.569 1.00 0.00 H new ATOM 354 N GLU A 22 -9.908 15.495 7.490 1.00 0.00 N ATOM 355 CA GLU A 22 -10.358 14.391 6.590 1.00 0.00 C ATOM 356 C GLU A 22 -9.749 13.065 7.048 1.00 0.00 C ATOM 357 O GLU A 22 -10.414 12.050 7.105 1.00 0.00 O ATOM 358 CB GLU A 22 -9.838 14.755 5.193 1.00 0.00 C ATOM 359 CG GLU A 22 -9.986 16.259 4.955 1.00 0.00 C ATOM 360 CD GLU A 22 -10.008 16.538 3.450 1.00 0.00 C ATOM 361 OE1 GLU A 22 -10.294 15.619 2.701 1.00 0.00 O ATOM 362 OE2 GLU A 22 -9.737 17.667 3.072 1.00 0.00 O ATOM 0 H GLU A 22 -9.248 16.152 7.074 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.442 14.277 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.792 14.465 5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.392 14.202 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.904 16.622 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.160 16.795 5.423 1.00 0.00 H new ATOM 369 N LYS A 23 -8.488 13.073 7.376 1.00 0.00 N ATOM 370 CA LYS A 23 -7.828 11.818 7.834 1.00 0.00 C ATOM 371 C LYS A 23 -8.571 11.246 9.041 1.00 0.00 C ATOM 372 O LYS A 23 -8.681 10.047 9.207 1.00 0.00 O ATOM 373 CB LYS A 23 -6.413 12.241 8.229 1.00 0.00 C ATOM 374 CG LYS A 23 -5.413 11.709 7.202 1.00 0.00 C ATOM 375 CD LYS A 23 -5.551 12.496 5.897 1.00 0.00 C ATOM 376 CE LYS A 23 -4.240 12.408 5.111 1.00 0.00 C ATOM 377 NZ LYS A 23 -3.976 13.798 4.647 1.00 0.00 N ATOM 0 H LYS A 23 -7.885 13.895 7.347 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.824 11.045 7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.350 13.328 8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.171 11.857 9.220 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.397 11.799 7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.592 10.649 7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.372 12.095 5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.791 13.538 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.428 12.040 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.329 11.721 4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.706 13.783 3.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.834 14.373 4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.203 14.210 5.207 1.00 0.00 H new ATOM 391 N GLU A 24 -9.081 12.098 9.886 1.00 0.00 N ATOM 392 CA GLU A 24 -9.819 11.608 11.086 1.00 0.00 C ATOM 393 C GLU A 24 -11.177 11.035 10.673 1.00 0.00 C ATOM 394 O GLU A 24 -11.593 9.997 11.148 1.00 0.00 O ATOM 395 CB GLU A 24 -10.003 12.840 11.970 1.00 0.00 C ATOM 396 CG GLU A 24 -8.641 13.303 12.493 1.00 0.00 C ATOM 397 CD GLU A 24 -8.838 14.153 13.750 1.00 0.00 C ATOM 398 OE1 GLU A 24 -9.838 13.960 14.420 1.00 0.00 O ATOM 399 OE2 GLU A 24 -7.985 14.983 14.020 1.00 0.00 O ATOM 0 H GLU A 24 -9.019 13.112 9.799 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.283 10.813 11.604 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.477 13.640 11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.664 12.606 12.804 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.014 12.440 12.719 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.123 13.881 11.728 1.00 0.00 H new ATOM 406 N ILE A 25 -11.872 11.702 9.793 1.00 0.00 N ATOM 407 CA ILE A 25 -13.200 11.197 9.353 1.00 0.00 C ATOM 408 C ILE A 25 -13.028 9.973 8.446 1.00 0.00 C ATOM 409 O ILE A 25 -13.773 9.017 8.532 1.00 0.00 O ATOM 410 CB ILE A 25 -13.822 12.355 8.576 1.00 0.00 C ATOM 411 CG1 ILE A 25 -14.270 13.442 9.557 1.00 0.00 C ATOM 412 CG2 ILE A 25 -15.029 11.850 7.789 1.00 0.00 C ATOM 413 CD1 ILE A 25 -14.890 14.604 8.780 1.00 0.00 C ATOM 0 H ILE A 25 -11.576 12.577 9.360 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.823 10.885 10.191 1.00 0.00 H new ATOM 0 HB ILE A 25 -13.086 12.768 7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -14.994 13.034 10.262 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.419 13.793 10.141 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.473 12.676 7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.711 11.075 7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.766 11.438 8.478 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.209 15.379 9.477 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.152 15.017 8.092 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -15.751 14.246 8.216 1.00 0.00 H new ATOM 425 N ILE A 26 -12.052 9.998 7.578 1.00 0.00 N ATOM 426 CA ILE A 26 -11.834 8.836 6.668 1.00 0.00 C ATOM 427 C ILE A 26 -11.489 7.584 7.479 1.00 0.00 C ATOM 428 O ILE A 26 -12.048 6.526 7.273 1.00 0.00 O ATOM 429 CB ILE A 26 -10.657 9.244 5.780 1.00 0.00 C ATOM 430 CG1 ILE A 26 -11.140 10.243 4.727 1.00 0.00 C ATOM 431 CG2 ILE A 26 -10.088 8.007 5.083 1.00 0.00 C ATOM 432 CD1 ILE A 26 -9.934 10.917 4.071 1.00 0.00 C ATOM 0 H ILE A 26 -11.397 10.771 7.460 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.722 8.598 6.083 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.881 9.703 6.393 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.739 9.732 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.782 10.993 5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.250 8.299 4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.746 7.292 5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.862 7.547 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.278 11.629 3.321 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.353 11.442 4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.309 10.161 3.594 1.00 0.00 H new ATOM 444 N GLN A 27 -10.575 7.696 8.404 1.00 0.00 N ATOM 445 CA GLN A 27 -10.199 6.523 9.226 1.00 0.00 C ATOM 446 C GLN A 27 -11.436 5.989 9.959 1.00 0.00 C ATOM 447 O GLN A 27 -11.616 4.797 10.108 1.00 0.00 O ATOM 448 CB GLN A 27 -9.157 7.076 10.201 1.00 0.00 C ATOM 449 CG GLN A 27 -9.145 6.248 11.481 1.00 0.00 C ATOM 450 CD GLN A 27 -8.068 6.780 12.427 1.00 0.00 C ATOM 451 OE1 GLN A 27 -7.249 6.030 12.919 1.00 0.00 O ATOM 452 NE2 GLN A 27 -8.034 8.056 12.704 1.00 0.00 N ATOM 0 H GLN A 27 -10.073 8.556 8.623 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.806 5.688 8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.170 7.059 9.739 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.382 8.117 10.434 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.121 6.292 11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.952 5.201 11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.722 8.686 12.291 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.320 8.422 13.333 1.00 0.00 H new ATOM 461 N ARG A 28 -12.290 6.866 10.413 1.00 0.00 N ATOM 462 CA ARG A 28 -13.517 6.412 11.130 1.00 0.00 C ATOM 463 C ARG A 28 -14.391 5.567 10.199 1.00 0.00 C ATOM 464 O ARG A 28 -14.931 4.552 10.590 1.00 0.00 O ATOM 465 CB ARG A 28 -14.243 7.698 11.524 1.00 0.00 C ATOM 466 CG ARG A 28 -13.649 8.242 12.824 1.00 0.00 C ATOM 467 CD ARG A 28 -14.516 7.799 14.006 1.00 0.00 C ATOM 468 NE ARG A 28 -15.765 8.601 13.888 1.00 0.00 N ATOM 469 CZ ARG A 28 -16.114 9.409 14.852 1.00 0.00 C ATOM 470 NH1 ARG A 28 -16.612 8.927 15.958 1.00 0.00 N ATOM 471 NH2 ARG A 28 -15.968 10.697 14.710 1.00 0.00 N ATOM 0 H ARG A 28 -12.192 7.877 10.319 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.284 5.793 11.996 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.148 8.439 10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.308 7.502 11.652 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.629 7.878 12.951 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.597 9.330 12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.727 6.731 13.962 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.015 7.986 14.956 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.347 8.519 13.055 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.728 7.920 16.069 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.885 9.558 16.712 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.581 11.074 13.845 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.241 11.327 15.464 1.00 0.00 H new ATOM 485 N ALA A 29 -14.538 5.980 8.970 1.00 0.00 N ATOM 486 CA ALA A 29 -15.377 5.202 8.022 1.00 0.00 C ATOM 487 C ALA A 29 -14.765 3.824 7.786 1.00 0.00 C ATOM 488 O ALA A 29 -15.460 2.829 7.741 1.00 0.00 O ATOM 489 CB ALA A 29 -15.391 6.021 6.731 1.00 0.00 C ATOM 0 H ALA A 29 -14.113 6.823 8.584 1.00 0.00 H new ATOM 0 HA ALA A 29 -16.385 5.037 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.993 5.508 5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.818 7.004 6.929 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.372 6.135 6.362 1.00 0.00 H new ATOM 495 N LEU A 30 -13.468 3.747 7.659 1.00 0.00 N ATOM 496 CA LEU A 30 -12.840 2.409 7.456 1.00 0.00 C ATOM 497 C LEU A 30 -13.313 1.530 8.596 1.00 0.00 C ATOM 498 O LEU A 30 -13.637 0.371 8.435 1.00 0.00 O ATOM 499 CB LEU A 30 -11.320 2.625 7.543 1.00 0.00 C ATOM 500 CG LEU A 30 -10.904 3.915 6.820 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.468 3.775 6.311 1.00 0.00 C ATOM 502 CD2 LEU A 30 -11.836 4.175 5.635 1.00 0.00 C ATOM 0 H LEU A 30 -12.825 4.538 7.686 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.098 1.948 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.016 2.676 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.802 1.773 7.101 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.968 4.750 7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.173 4.690 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.799 3.599 7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.408 2.935 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.534 5.092 5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -11.780 3.339 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.860 4.280 5.994 1.00 0.00 H new ATOM 514 N GLU A 31 -13.370 2.116 9.750 1.00 0.00 N ATOM 515 CA GLU A 31 -13.842 1.391 10.950 1.00 0.00 C ATOM 516 C GLU A 31 -15.341 1.110 10.834 1.00 0.00 C ATOM 517 O GLU A 31 -15.830 0.096 11.293 1.00 0.00 O ATOM 518 CB GLU A 31 -13.556 2.330 12.122 1.00 0.00 C ATOM 519 CG GLU A 31 -12.097 2.177 12.554 1.00 0.00 C ATOM 520 CD GLU A 31 -11.963 0.967 13.479 1.00 0.00 C ATOM 521 OE1 GLU A 31 -12.543 -0.059 13.167 1.00 0.00 O ATOM 522 OE2 GLU A 31 -11.281 1.087 14.484 1.00 0.00 O ATOM 0 H GLU A 31 -13.104 3.087 9.915 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.346 0.428 11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.754 3.362 11.832 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.219 2.100 12.956 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.459 2.052 11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.762 3.079 13.067 1.00 0.00 H new ATOM 529 N ASN A 32 -16.081 2.005 10.225 1.00 0.00 N ATOM 530 CA ASN A 32 -17.540 1.789 10.087 1.00 0.00 C ATOM 531 C ASN A 32 -17.799 0.498 9.321 1.00 0.00 C ATOM 532 O ASN A 32 -18.718 -0.241 9.610 1.00 0.00 O ATOM 533 CB ASN A 32 -18.043 2.993 9.292 1.00 0.00 C ATOM 534 CG ASN A 32 -19.544 3.175 9.529 1.00 0.00 C ATOM 535 OD1 ASN A 32 -20.212 2.271 9.991 1.00 0.00 O ATOM 536 ND2 ASN A 32 -20.106 4.313 9.228 1.00 0.00 N ATOM 0 H ASN A 32 -15.730 2.873 9.820 1.00 0.00 H new ATOM 0 HA ASN A 32 -18.043 1.700 11.050 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.505 3.892 9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.848 2.847 8.230 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -21.106 4.444 9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.545 5.072 8.840 1.00 0.00 H new ATOM 543 N TYR A 33 -16.987 0.221 8.341 1.00 0.00 N ATOM 544 CA TYR A 33 -17.165 -1.006 7.550 1.00 0.00 C ATOM 545 C TYR A 33 -16.473 -2.178 8.258 1.00 0.00 C ATOM 546 O TYR A 33 -16.736 -3.331 7.977 1.00 0.00 O ATOM 547 CB TYR A 33 -16.507 -0.668 6.205 1.00 0.00 C ATOM 548 CG TYR A 33 -15.802 -1.877 5.647 1.00 0.00 C ATOM 549 CD1 TYR A 33 -14.543 -2.225 6.139 1.00 0.00 C ATOM 550 CD2 TYR A 33 -16.407 -2.650 4.652 1.00 0.00 C ATOM 551 CE1 TYR A 33 -13.884 -3.346 5.641 1.00 0.00 C ATOM 552 CE2 TYR A 33 -15.746 -3.775 4.147 1.00 0.00 C ATOM 553 CZ TYR A 33 -14.483 -4.125 4.643 1.00 0.00 C ATOM 554 OH TYR A 33 -13.833 -5.237 4.151 1.00 0.00 O ATOM 0 H TYR A 33 -16.201 0.806 8.058 1.00 0.00 H new ATOM 0 HA TYR A 33 -18.205 -1.308 7.422 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.263 -0.322 5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.796 0.148 6.336 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -14.079 -1.624 6.907 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -17.382 -2.380 4.274 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.911 -3.615 6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -16.209 -4.373 3.376 1.00 0.00 H new ATOM 0 HH TYR A 33 -14.298 -6.046 4.449 1.00 0.00 H new ATOM 564 N GLY A 34 -15.592 -1.888 9.176 1.00 0.00 N ATOM 565 CA GLY A 34 -14.887 -2.970 9.901 1.00 0.00 C ATOM 566 C GLY A 34 -13.465 -3.117 9.358 1.00 0.00 C ATOM 567 O GLY A 34 -12.918 -4.201 9.310 1.00 0.00 O ATOM 0 H GLY A 34 -15.332 -0.941 9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.857 -2.746 10.967 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.428 -3.909 9.787 1.00 0.00 H new ATOM 571 N ALA A 35 -12.859 -2.036 8.949 1.00 0.00 N ATOM 572 CA ALA A 35 -11.470 -2.120 8.412 1.00 0.00 C ATOM 573 C ALA A 35 -10.491 -1.431 9.365 1.00 0.00 C ATOM 574 O ALA A 35 -10.715 -0.321 9.806 1.00 0.00 O ATOM 575 CB ALA A 35 -11.519 -1.390 7.071 1.00 0.00 C ATOM 0 H ALA A 35 -13.264 -1.100 8.963 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.131 -3.150 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.531 -1.408 6.611 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.235 -1.884 6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.826 -0.356 7.230 1.00 0.00 H new ATOM 581 N ARG A 36 -9.407 -2.081 9.688 1.00 0.00 N ATOM 582 CA ARG A 36 -8.415 -1.469 10.613 1.00 0.00 C ATOM 583 C ARG A 36 -7.033 -1.446 9.960 1.00 0.00 C ATOM 584 O ARG A 36 -6.628 -2.382 9.299 1.00 0.00 O ATOM 585 CB ARG A 36 -8.385 -2.362 11.845 1.00 0.00 C ATOM 586 CG ARG A 36 -9.788 -2.892 12.152 1.00 0.00 C ATOM 587 CD ARG A 36 -10.038 -2.827 13.660 1.00 0.00 C ATOM 588 NE ARG A 36 -9.165 -3.885 14.239 1.00 0.00 N ATOM 589 CZ ARG A 36 -9.198 -4.128 15.520 1.00 0.00 C ATOM 590 NH1 ARG A 36 -10.290 -3.904 16.199 1.00 0.00 N ATOM 591 NH2 ARG A 36 -8.139 -4.594 16.124 1.00 0.00 N ATOM 0 H ARG A 36 -9.166 -3.012 9.349 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.683 -0.443 10.863 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.702 -3.195 11.682 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.006 -1.802 12.699 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.536 -2.301 11.623 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.886 -3.919 11.800 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.787 -1.845 14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.087 -3.008 13.895 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.541 -4.420 13.634 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.118 -3.539 15.728 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.316 -4.094 17.201 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.285 -4.768 15.594 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.165 -4.784 17.126 1.00 0.00 H new ATOM 605 N VAL A 37 -6.315 -0.384 10.144 1.00 0.00 N ATOM 606 CA VAL A 37 -4.954 -0.281 9.543 1.00 0.00 C ATOM 607 C VAL A 37 -3.905 -0.844 10.505 1.00 0.00 C ATOM 608 O VAL A 37 -3.798 -0.419 11.639 1.00 0.00 O ATOM 609 CB VAL A 37 -4.735 1.217 9.323 1.00 0.00 C ATOM 610 CG1 VAL A 37 -4.438 1.897 10.662 1.00 0.00 C ATOM 611 CG2 VAL A 37 -3.551 1.423 8.375 1.00 0.00 C ATOM 0 H VAL A 37 -6.609 0.427 10.688 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.866 -0.847 8.616 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.634 1.654 8.888 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.282 2.964 10.502 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.280 1.751 11.339 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.540 1.461 11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.393 2.490 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.654 0.984 8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.762 0.942 7.420 1.00 0.00 H new ATOM 621 N GLU A 38 -3.129 -1.795 10.063 1.00 0.00 N ATOM 622 CA GLU A 38 -2.088 -2.378 10.956 1.00 0.00 C ATOM 623 C GLU A 38 -0.803 -1.551 10.867 1.00 0.00 C ATOM 624 O GLU A 38 0.025 -1.573 11.758 1.00 0.00 O ATOM 625 CB GLU A 38 -1.855 -3.793 10.426 1.00 0.00 C ATOM 626 CG GLU A 38 -2.963 -4.720 10.933 1.00 0.00 C ATOM 627 CD GLU A 38 -4.071 -4.817 9.882 1.00 0.00 C ATOM 628 OE1 GLU A 38 -4.527 -3.779 9.433 1.00 0.00 O ATOM 629 OE2 GLU A 38 -4.444 -5.928 9.546 1.00 0.00 O ATOM 0 H GLU A 38 -3.170 -2.193 9.125 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.394 -2.384 12.002 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.843 -3.787 9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.882 -4.159 10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.557 -5.710 11.140 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.369 -4.340 11.870 1.00 0.00 H new ATOM 636 N LYS A 39 -0.631 -0.820 9.801 1.00 0.00 N ATOM 637 CA LYS A 39 0.601 0.009 9.655 1.00 0.00 C ATOM 638 C LYS A 39 0.372 1.126 8.632 1.00 0.00 C ATOM 639 O LYS A 39 -0.296 0.940 7.634 1.00 0.00 O ATOM 640 CB LYS A 39 1.674 -0.961 9.156 1.00 0.00 C ATOM 641 CG LYS A 39 2.482 -1.485 10.345 1.00 0.00 C ATOM 642 CD LYS A 39 2.116 -2.948 10.609 1.00 0.00 C ATOM 643 CE LYS A 39 3.394 -3.770 10.788 1.00 0.00 C ATOM 644 NZ LYS A 39 3.022 -4.860 11.734 1.00 0.00 N ATOM 0 H LYS A 39 -1.289 -0.760 9.024 1.00 0.00 H new ATOM 0 HA LYS A 39 0.887 0.490 10.591 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.209 -1.791 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.333 -0.458 8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.549 -1.398 10.139 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.278 -0.883 11.230 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.495 -3.023 11.501 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.530 -3.343 9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.740 -4.174 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.203 -3.159 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.849 -5.467 11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.703 -4.446 12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.254 -5.429 11.324 1.00 0.00 H new ATOM 658 N VAL A 40 0.922 2.283 8.874 1.00 0.00 N ATOM 659 CA VAL A 40 0.736 3.412 7.915 1.00 0.00 C ATOM 660 C VAL A 40 2.090 4.022 7.545 1.00 0.00 C ATOM 661 O VAL A 40 2.819 4.499 8.392 1.00 0.00 O ATOM 662 CB VAL A 40 -0.122 4.431 8.662 1.00 0.00 C ATOM 663 CG1 VAL A 40 -0.493 5.573 7.714 1.00 0.00 C ATOM 664 CG2 VAL A 40 -1.397 3.753 9.166 1.00 0.00 C ATOM 0 H VAL A 40 1.492 2.497 9.692 1.00 0.00 H new ATOM 0 HA VAL A 40 0.268 3.088 6.985 1.00 0.00 H new ATOM 0 HB VAL A 40 0.437 4.827 9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.106 6.302 8.245 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.415 6.056 7.353 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.053 5.176 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.009 4.480 9.699 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.958 3.358 8.319 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.134 2.937 9.839 1.00 0.00 H new ATOM 674 N GLU A 41 2.433 4.012 6.287 1.00 0.00 N ATOM 675 CA GLU A 41 3.740 4.594 5.869 1.00 0.00 C ATOM 676 C GLU A 41 3.561 6.060 5.466 1.00 0.00 C ATOM 677 O GLU A 41 2.749 6.387 4.622 1.00 0.00 O ATOM 678 CB GLU A 41 4.182 3.757 4.668 1.00 0.00 C ATOM 679 CG GLU A 41 5.591 3.215 4.913 1.00 0.00 C ATOM 680 CD GLU A 41 5.801 1.943 4.088 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.248 0.921 4.461 1.00 0.00 O ATOM 682 OE2 GLU A 41 6.509 2.014 3.099 1.00 0.00 O ATOM 0 H GLU A 41 1.866 3.627 5.531 1.00 0.00 H new ATOM 0 HA GLU A 41 4.477 4.573 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.486 2.933 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.167 4.364 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.333 3.965 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.730 3.001 5.973 1.00 0.00 H new ATOM 689 N GLU A 42 4.312 6.945 6.062 1.00 0.00 N ATOM 690 CA GLU A 42 4.182 8.389 5.711 1.00 0.00 C ATOM 691 C GLU A 42 4.985 8.699 4.444 1.00 0.00 C ATOM 692 O GLU A 42 6.195 8.591 4.420 1.00 0.00 O ATOM 693 CB GLU A 42 4.754 9.148 6.912 1.00 0.00 C ATOM 694 CG GLU A 42 6.145 8.606 7.252 1.00 0.00 C ATOM 695 CD GLU A 42 6.103 7.908 8.613 1.00 0.00 C ATOM 696 OE1 GLU A 42 5.323 8.328 9.450 1.00 0.00 O ATOM 697 OE2 GLU A 42 6.855 6.963 8.794 1.00 0.00 O ATOM 0 H GLU A 42 5.009 6.732 6.776 1.00 0.00 H new ATOM 0 HA GLU A 42 3.149 8.672 5.509 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.813 10.213 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.092 9.041 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.472 7.906 6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.869 9.420 7.271 1.00 0.00 H new ATOM 704 N LEU A 43 4.317 9.084 3.390 1.00 0.00 N ATOM 705 CA LEU A 43 5.037 9.401 2.122 1.00 0.00 C ATOM 706 C LEU A 43 5.419 10.884 2.087 1.00 0.00 C ATOM 707 O LEU A 43 6.582 11.235 2.136 1.00 0.00 O ATOM 708 CB LEU A 43 4.037 9.079 1.010 1.00 0.00 C ATOM 709 CG LEU A 43 4.294 7.668 0.478 1.00 0.00 C ATOM 710 CD1 LEU A 43 5.566 7.665 -0.371 1.00 0.00 C ATOM 711 CD2 LEU A 43 4.461 6.699 1.652 1.00 0.00 C ATOM 0 H LEU A 43 3.304 9.193 3.352 1.00 0.00 H new ATOM 0 HA LEU A 43 5.961 8.833 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.018 9.155 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.130 9.805 0.202 1.00 0.00 H new ATOM 0 HG LEU A 43 3.449 7.353 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.748 6.659 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.446 8.352 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.412 7.982 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.644 5.694 1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.305 7.014 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.553 6.699 2.255 1.00 0.00 H new ATOM 723 N GLY A 44 4.452 11.755 2.000 1.00 0.00 N ATOM 724 CA GLY A 44 4.763 13.212 1.960 1.00 0.00 C ATOM 725 C GLY A 44 5.382 13.563 0.607 1.00 0.00 C ATOM 726 O GLY A 44 6.457 14.125 0.532 1.00 0.00 O ATOM 0 H GLY A 44 3.460 11.521 1.955 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.855 13.793 2.118 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.451 13.470 2.765 1.00 0.00 H new ATOM 955 N GLY A 58 1.438 15.512 -5.366 1.00 0.00 N ATOM 956 CA GLY A 58 0.217 14.840 -4.836 1.00 0.00 C ATOM 957 C GLY A 58 0.535 14.153 -3.507 1.00 0.00 C ATOM 958 O GLY A 58 1.650 14.192 -3.026 1.00 0.00 O ATOM 0 HA2 GLY A 58 -0.579 15.571 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.147 14.107 -5.556 1.00 0.00 H new ATOM 962 N TYR A 59 -0.439 13.518 -2.912 1.00 0.00 N ATOM 963 CA TYR A 59 -0.197 12.824 -1.615 1.00 0.00 C ATOM 964 C TYR A 59 -0.573 11.345 -1.735 1.00 0.00 C ATOM 965 O TYR A 59 -1.703 11.002 -2.019 1.00 0.00 O ATOM 966 CB TYR A 59 -1.105 13.532 -0.611 1.00 0.00 C ATOM 967 CG TYR A 59 -0.299 13.931 0.602 1.00 0.00 C ATOM 968 CD1 TYR A 59 0.719 13.092 1.073 1.00 0.00 C ATOM 969 CD2 TYR A 59 -0.569 15.139 1.254 1.00 0.00 C ATOM 970 CE1 TYR A 59 1.466 13.462 2.197 1.00 0.00 C ATOM 971 CE2 TYR A 59 0.179 15.509 2.377 1.00 0.00 C ATOM 972 CZ TYR A 59 1.197 14.671 2.849 1.00 0.00 C ATOM 973 OH TYR A 59 1.934 15.035 3.957 1.00 0.00 O ATOM 0 H TYR A 59 -1.392 13.450 -3.269 1.00 0.00 H new ATOM 0 HA TYR A 59 0.849 12.863 -1.311 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.554 14.414 -1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.923 12.874 -0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.927 12.160 0.569 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.354 15.785 0.891 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.250 12.815 2.561 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.029 16.442 2.880 1.00 0.00 H new ATOM 0 HH TYR A 59 1.620 15.902 4.288 1.00 0.00 H new ATOM 983 N PHE A 60 0.370 10.466 -1.532 1.00 0.00 N ATOM 984 CA PHE A 60 0.071 9.009 -1.644 1.00 0.00 C ATOM 985 C PHE A 60 0.275 8.311 -0.295 1.00 0.00 C ATOM 986 O PHE A 60 1.273 8.508 0.371 1.00 0.00 O ATOM 987 CB PHE A 60 1.072 8.491 -2.676 1.00 0.00 C ATOM 988 CG PHE A 60 0.657 7.116 -3.144 1.00 0.00 C ATOM 989 CD1 PHE A 60 0.725 6.026 -2.269 1.00 0.00 C ATOM 990 CD2 PHE A 60 0.205 6.933 -4.457 1.00 0.00 C ATOM 991 CE1 PHE A 60 0.344 4.752 -2.706 1.00 0.00 C ATOM 992 CE2 PHE A 60 -0.176 5.659 -4.894 1.00 0.00 C ATOM 993 CZ PHE A 60 -0.108 4.569 -4.018 1.00 0.00 C ATOM 0 H PHE A 60 1.335 10.693 -1.293 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.962 8.818 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.121 9.174 -3.524 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.070 8.451 -2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.072 6.168 -1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.150 7.774 -5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 60 0.399 3.911 -2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.522 5.517 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.404 3.587 -4.355 1.00 0.00 H new ATOM 1003 N LEU A 61 -0.660 7.493 0.109 1.00 0.00 N ATOM 1004 CA LEU A 61 -0.515 6.777 1.413 1.00 0.00 C ATOM 1005 C LEU A 61 -0.474 5.265 1.172 1.00 0.00 C ATOM 1006 O LEU A 61 -1.115 4.752 0.276 1.00 0.00 O ATOM 1007 CB LEU A 61 -1.754 7.144 2.242 1.00 0.00 C ATOM 1008 CG LEU A 61 -2.248 8.549 1.880 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -3.445 8.443 0.932 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.673 9.284 3.154 1.00 0.00 C ATOM 0 H LEU A 61 -1.517 7.289 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 61 0.404 7.059 1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.546 6.417 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.514 7.099 3.304 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.445 9.100 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.795 9.443 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.145 7.919 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.248 7.891 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.024 10.283 2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.476 8.731 3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.822 9.361 3.831 1.00 0.00 H new ATOM 1022 N TRP A 62 0.279 4.551 1.959 1.00 0.00 N ATOM 1023 CA TRP A 62 0.369 3.072 1.771 1.00 0.00 C ATOM 1024 C TRP A 62 0.264 2.348 3.117 1.00 0.00 C ATOM 1025 O TRP A 62 1.109 2.504 3.974 1.00 0.00 O ATOM 1026 CB TRP A 62 1.752 2.850 1.156 1.00 0.00 C ATOM 1027 CG TRP A 62 1.932 1.404 0.813 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.768 0.875 -0.420 1.00 0.00 C ATOM 1029 CD2 TRP A 62 2.316 0.300 1.686 1.00 0.00 C ATOM 1030 NE1 TRP A 62 2.022 -0.485 -0.360 1.00 0.00 N ATOM 1031 CE2 TRP A 62 2.364 -0.887 0.915 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.624 0.211 3.056 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.703 -2.116 1.484 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 2.965 -1.024 3.631 1.00 0.00 C ATOM 1035 CH2 TRP A 62 3.005 -2.185 2.847 1.00 0.00 C ATOM 0 H TRP A 62 0.838 4.925 2.726 1.00 0.00 H new ATOM 0 HA TRP A 62 -0.436 2.685 1.146 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.864 3.462 0.261 1.00 0.00 H new ATOM 0 HB3 TRP A 62 2.526 3.166 1.856 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.485 1.423 -1.307 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.963 -1.113 -1.161 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.598 1.099 3.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.732 -3.007 0.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.198 -1.079 4.684 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.269 -3.132 3.295 1.00 0.00 H new ATOM 1046 N TYR A 63 -0.754 1.549 3.313 1.00 0.00 N ATOM 1047 CA TYR A 63 -0.870 0.821 4.605 1.00 0.00 C ATOM 1048 C TYR A 63 -1.293 -0.630 4.371 1.00 0.00 C ATOM 1049 O TYR A 63 -1.994 -0.940 3.427 1.00 0.00 O ATOM 1050 CB TYR A 63 -1.916 1.568 5.433 1.00 0.00 C ATOM 1051 CG TYR A 63 -3.005 2.155 4.569 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -2.788 3.363 3.896 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -4.244 1.512 4.473 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -3.809 3.924 3.121 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -5.267 2.077 3.704 1.00 0.00 C ATOM 1056 CZ TYR A 63 -5.049 3.283 3.028 1.00 0.00 C ATOM 1057 OH TYR A 63 -6.058 3.840 2.271 1.00 0.00 O ATOM 0 H TYR A 63 -1.500 1.373 2.640 1.00 0.00 H new ATOM 0 HA TYR A 63 0.087 0.789 5.126 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.358 0.886 6.160 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.431 2.365 5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.833 3.862 3.975 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.411 0.580 4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.640 4.852 2.595 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.225 1.583 3.632 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.852 3.267 2.312 1.00 0.00 H new ATOM 1067 N GLN A 64 -0.869 -1.525 5.225 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.241 -2.959 5.052 1.00 0.00 C ATOM 1069 C GLN A 64 -2.517 -3.269 5.839 1.00 0.00 C ATOM 1070 O GLN A 64 -2.591 -3.071 7.035 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.052 -3.752 5.606 1.00 0.00 C ATOM 1072 CG GLN A 64 -0.069 -3.714 7.137 1.00 0.00 C ATOM 1073 CD GLN A 64 1.189 -4.395 7.678 1.00 0.00 C ATOM 1074 OE1 GLN A 64 2.279 -3.877 7.542 1.00 0.00 O ATOM 1075 NE2 GLN A 64 1.084 -5.543 8.290 1.00 0.00 N ATOM 0 H GLN A 64 -0.281 -1.324 6.034 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.442 -3.213 4.011 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.098 -4.784 5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.882 -3.332 5.233 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.115 -2.682 7.485 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.959 -4.218 7.514 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.169 -5.978 8.404 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.917 -6.005 8.654 1.00 0.00 H new ATOM 1084 N VAL A 65 -3.530 -3.734 5.165 1.00 0.00 N ATOM 1085 CA VAL A 65 -4.814 -4.040 5.847 1.00 0.00 C ATOM 1086 C VAL A 65 -5.228 -5.492 5.584 1.00 0.00 C ATOM 1087 O VAL A 65 -4.694 -6.151 4.714 1.00 0.00 O ATOM 1088 CB VAL A 65 -5.801 -3.067 5.208 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -5.185 -1.672 5.191 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.085 -3.494 3.769 1.00 0.00 C ATOM 0 H VAL A 65 -3.522 -3.916 4.161 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.760 -3.933 6.930 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.728 -3.065 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.884 -0.971 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.969 -1.357 6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.261 -1.689 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.790 -2.798 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.156 -3.493 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.512 -4.497 3.765 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.178 -5.995 6.325 1.00 0.00 N ATOM 1101 CA GLU A 66 -6.624 -7.402 6.112 1.00 0.00 C ATOM 1102 C GLU A 66 -7.937 -7.423 5.330 1.00 0.00 C ATOM 1103 O GLU A 66 -8.883 -8.094 5.696 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.830 -7.968 7.515 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.807 -7.070 8.275 1.00 0.00 C ATOM 1106 CD GLU A 66 -8.886 -7.927 8.939 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -8.595 -9.067 9.260 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -9.985 -7.427 9.116 1.00 0.00 O ATOM 0 H GLU A 66 -6.664 -5.493 7.068 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.901 -7.984 5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.219 -8.984 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.878 -8.021 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.273 -6.492 9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.266 -6.356 7.592 1.00 0.00 H new ATOM 1115 N MET A 67 -8.001 -6.692 4.256 1.00 0.00 N ATOM 1116 CA MET A 67 -9.252 -6.663 3.443 1.00 0.00 C ATOM 1117 C MET A 67 -8.991 -7.234 2.046 1.00 0.00 C ATOM 1118 O MET A 67 -7.941 -7.023 1.475 1.00 0.00 O ATOM 1119 CB MET A 67 -9.632 -5.184 3.353 1.00 0.00 C ATOM 1120 CG MET A 67 -10.836 -4.911 4.257 1.00 0.00 C ATOM 1121 SD MET A 67 -10.265 -4.556 5.936 1.00 0.00 S ATOM 1122 CE MET A 67 -11.233 -5.832 6.778 1.00 0.00 C ATOM 0 H MET A 67 -7.241 -6.111 3.902 1.00 0.00 H new ATOM 0 HA MET A 67 -10.046 -7.263 3.888 1.00 0.00 H new ATOM 0 HB2 MET A 67 -8.789 -4.562 3.654 1.00 0.00 H new ATOM 0 HB3 MET A 67 -9.870 -4.921 2.322 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.410 -4.068 3.871 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.502 -5.774 4.263 1.00 0.00 H new ATOM 0 HE1 MET A 67 -11.230 -5.642 7.851 1.00 0.00 H new ATOM 0 HE2 MET A 67 -12.258 -5.814 6.409 1.00 0.00 H new ATOM 0 HE3 MET A 67 -10.794 -6.810 6.582 1.00 0.00 H new ATOM 1132 N PRO A 68 -9.968 -7.941 1.543 1.00 0.00 N ATOM 1133 CA PRO A 68 -9.852 -8.550 0.195 1.00 0.00 C ATOM 1134 C PRO A 68 -9.967 -7.474 -0.889 1.00 0.00 C ATOM 1135 O PRO A 68 -10.556 -6.432 -0.682 1.00 0.00 O ATOM 1136 CB PRO A 68 -11.036 -9.512 0.134 1.00 0.00 C ATOM 1137 CG PRO A 68 -12.033 -8.963 1.104 1.00 0.00 C ATOM 1138 CD PRO A 68 -11.258 -8.237 2.176 1.00 0.00 C ATOM 0 HA PRO A 68 -8.896 -9.047 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.452 -9.563 -0.872 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.736 -10.524 0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.724 -8.285 0.603 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.630 -9.765 1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.767 -7.326 2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.134 -8.854 3.066 1.00 0.00 H new ATOM 1146 N GLU A 69 -9.405 -7.717 -2.042 1.00 0.00 N ATOM 1147 CA GLU A 69 -9.482 -6.706 -3.137 1.00 0.00 C ATOM 1148 C GLU A 69 -10.934 -6.513 -3.585 1.00 0.00 C ATOM 1149 O GLU A 69 -11.313 -5.459 -4.056 1.00 0.00 O ATOM 1150 CB GLU A 69 -8.643 -7.288 -4.274 1.00 0.00 C ATOM 1151 CG GLU A 69 -9.159 -8.683 -4.628 1.00 0.00 C ATOM 1152 CD GLU A 69 -8.849 -8.988 -6.094 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -8.991 -8.092 -6.909 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -8.474 -10.115 -6.378 1.00 0.00 O ATOM 0 H GLU A 69 -8.896 -8.570 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.118 -5.729 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.694 -6.638 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.596 -7.341 -3.977 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.692 -9.429 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.233 -8.739 -4.454 1.00 0.00 H new ATOM 1161 N ASP A 70 -11.749 -7.522 -3.444 1.00 0.00 N ATOM 1162 CA ASP A 70 -13.174 -7.391 -3.864 1.00 0.00 C ATOM 1163 C ASP A 70 -13.858 -6.280 -3.065 1.00 0.00 C ATOM 1164 O ASP A 70 -14.694 -5.559 -3.572 1.00 0.00 O ATOM 1165 CB ASP A 70 -13.808 -8.747 -3.550 1.00 0.00 C ATOM 1166 CG ASP A 70 -13.365 -9.771 -4.596 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -12.737 -9.369 -5.561 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -13.663 -10.941 -4.414 1.00 0.00 O ATOM 0 H ASP A 70 -11.491 -8.430 -3.057 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.272 -7.132 -4.918 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.512 -9.077 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.895 -8.661 -3.547 1.00 0.00 H new ATOM 1173 N ARG A 71 -13.510 -6.139 -1.817 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.134 -5.083 -0.982 1.00 0.00 C ATOM 1175 C ARG A 71 -13.710 -3.695 -1.471 1.00 0.00 C ATOM 1176 O ARG A 71 -14.224 -2.688 -1.024 1.00 0.00 O ATOM 1177 CB ARG A 71 -13.610 -5.336 0.431 1.00 0.00 C ATOM 1178 CG ARG A 71 -14.762 -5.784 1.331 1.00 0.00 C ATOM 1179 CD ARG A 71 -15.457 -6.999 0.712 1.00 0.00 C ATOM 1180 NE ARG A 71 -16.484 -7.400 1.712 1.00 0.00 N ATOM 1181 CZ ARG A 71 -17.187 -8.484 1.529 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -17.817 -8.672 0.402 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -17.261 -9.379 2.475 1.00 0.00 N ATOM 0 H ARG A 71 -12.816 -6.714 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.223 -5.113 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -12.833 -6.100 0.410 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -13.155 -4.429 0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.385 -6.034 2.323 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.476 -4.970 1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.914 -6.748 -0.245 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -14.750 -7.807 0.526 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.638 -6.827 2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.760 -7.971 -0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.366 -9.520 0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -16.770 -9.231 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.810 -10.227 2.333 1.00 0.00 H new ATOM 1197 N VAL A 72 -12.777 -3.630 -2.382 1.00 0.00 N ATOM 1198 CA VAL A 72 -12.327 -2.305 -2.887 1.00 0.00 C ATOM 1199 C VAL A 72 -13.521 -1.514 -3.416 1.00 0.00 C ATOM 1200 O VAL A 72 -13.661 -0.334 -3.159 1.00 0.00 O ATOM 1201 CB VAL A 72 -11.347 -2.625 -4.015 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -12.097 -3.222 -5.207 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -10.642 -1.341 -4.449 1.00 0.00 C ATOM 0 H VAL A 72 -12.309 -4.436 -2.796 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.864 -1.698 -2.109 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.613 -3.348 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.390 -3.447 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.600 -4.139 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.836 -2.506 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.942 -1.565 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.381 -0.621 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.100 -0.920 -3.603 1.00 0.00 H new ATOM 1213 N ASN A 73 -14.385 -2.155 -4.146 1.00 0.00 N ATOM 1214 CA ASN A 73 -15.575 -1.437 -4.682 1.00 0.00 C ATOM 1215 C ASN A 73 -16.425 -0.911 -3.522 1.00 0.00 C ATOM 1216 O ASN A 73 -16.975 0.171 -3.582 1.00 0.00 O ATOM 1217 CB ASN A 73 -16.347 -2.486 -5.485 1.00 0.00 C ATOM 1218 CG ASN A 73 -17.740 -1.949 -5.824 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -18.473 -1.535 -4.949 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -18.137 -1.938 -7.068 1.00 0.00 N ATOM 0 H ASN A 73 -14.321 -3.142 -4.396 1.00 0.00 H new ATOM 0 HA ASN A 73 -15.304 -0.580 -5.298 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.807 -2.728 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.431 -3.409 -4.911 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -19.063 -1.582 -7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.521 -2.286 -7.803 1.00 0.00 H new ATOM 1227 N ASP A 74 -16.534 -1.672 -2.466 1.00 0.00 N ATOM 1228 CA ASP A 74 -17.345 -1.226 -1.303 1.00 0.00 C ATOM 1229 C ASP A 74 -16.711 0.005 -0.651 1.00 0.00 C ATOM 1230 O ASP A 74 -17.354 1.016 -0.446 1.00 0.00 O ATOM 1231 CB ASP A 74 -17.313 -2.411 -0.339 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.131 -2.080 0.911 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -17.689 -1.244 1.680 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.185 -2.671 1.077 1.00 0.00 O ATOM 0 H ASP A 74 -16.094 -2.586 -2.361 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.359 -0.945 -1.587 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -17.717 -3.299 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.284 -2.639 -0.062 1.00 0.00 H new ATOM 1239 N LEU A 75 -15.451 -0.076 -0.331 1.00 0.00 N ATOM 1240 CA LEU A 75 -14.756 1.085 0.303 1.00 0.00 C ATOM 1241 C LEU A 75 -14.576 2.198 -0.723 1.00 0.00 C ATOM 1242 O LEU A 75 -14.543 3.368 -0.395 1.00 0.00 O ATOM 1243 CB LEU A 75 -13.398 0.546 0.753 1.00 0.00 C ATOM 1244 CG LEU A 75 -13.569 -0.224 2.061 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -14.674 -1.263 1.888 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -12.257 -0.926 2.421 1.00 0.00 C ATOM 0 H LEU A 75 -14.867 -0.899 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.319 1.501 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.980 -0.106 -0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.695 1.368 0.891 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.836 0.467 2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.802 -1.817 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.608 -0.762 1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.403 -1.953 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.382 -1.474 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.986 -1.620 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.468 -0.184 2.539 1.00 0.00 H new ATOM 1258 N ALA A 76 -14.468 1.832 -1.965 1.00 0.00 N ATOM 1259 CA ALA A 76 -14.299 2.852 -3.041 1.00 0.00 C ATOM 1260 C ALA A 76 -15.558 3.699 -3.098 1.00 0.00 C ATOM 1261 O ALA A 76 -15.526 4.900 -3.279 1.00 0.00 O ATOM 1262 CB ALA A 76 -14.121 2.053 -4.332 1.00 0.00 C ATOM 0 H ALA A 76 -14.489 0.865 -2.288 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.452 3.517 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.991 2.739 -5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -13.242 1.414 -4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.003 1.436 -4.502 1.00 0.00 H new ATOM 1268 N ARG A 77 -16.668 3.053 -2.938 1.00 0.00 N ATOM 1269 CA ARG A 77 -17.975 3.748 -2.967 1.00 0.00 C ATOM 1270 C ARG A 77 -18.009 4.860 -1.913 1.00 0.00 C ATOM 1271 O ARG A 77 -18.358 5.988 -2.198 1.00 0.00 O ATOM 1272 CB ARG A 77 -18.960 2.640 -2.619 1.00 0.00 C ATOM 1273 CG ARG A 77 -19.890 2.390 -3.808 1.00 0.00 C ATOM 1274 CD ARG A 77 -20.233 0.901 -3.885 1.00 0.00 C ATOM 1275 NE ARG A 77 -21.704 0.858 -4.115 1.00 0.00 N ATOM 1276 CZ ARG A 77 -22.186 0.204 -5.136 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -22.037 -1.090 -5.211 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -22.817 0.846 -6.083 1.00 0.00 N ATOM 0 H ARG A 77 -16.727 2.046 -2.784 1.00 0.00 H new ATOM 0 HA ARG A 77 -18.193 4.228 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.421 1.726 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -19.542 2.919 -1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.801 2.979 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -19.410 2.712 -4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -19.692 0.412 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.962 0.385 -2.964 1.00 0.00 H new ATOM 0 HE ARG A 77 -22.335 1.340 -3.474 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -21.544 -1.590 -4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -22.414 -1.601 -6.009 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -22.932 1.858 -6.024 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -23.194 0.335 -6.881 1.00 0.00 H new ATOM 1292 N GLU A 78 -17.647 4.550 -0.699 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.657 5.592 0.370 1.00 0.00 C ATOM 1294 C GLU A 78 -16.551 6.619 0.117 1.00 0.00 C ATOM 1295 O GLU A 78 -16.756 7.811 0.237 1.00 0.00 O ATOM 1296 CB GLU A 78 -17.393 4.828 1.669 1.00 0.00 C ATOM 1297 CG GLU A 78 -18.250 3.559 1.700 1.00 0.00 C ATOM 1298 CD GLU A 78 -18.772 3.329 3.119 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -18.104 3.745 4.049 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -19.832 2.739 3.250 1.00 0.00 O ATOM 0 H GLU A 78 -17.345 3.623 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.598 6.141 0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.337 4.568 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.626 5.458 2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -19.085 3.654 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.661 2.702 1.375 1.00 0.00 H new ATOM 1307 N LEU A 79 -15.377 6.165 -0.228 1.00 0.00 N ATOM 1308 CA LEU A 79 -14.253 7.113 -0.486 1.00 0.00 C ATOM 1309 C LEU A 79 -14.525 7.937 -1.748 1.00 0.00 C ATOM 1310 O LEU A 79 -14.339 9.135 -1.769 1.00 0.00 O ATOM 1311 CB LEU A 79 -13.024 6.223 -0.683 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.262 6.079 0.639 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -13.248 5.872 1.792 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -11.327 4.872 0.553 1.00 0.00 C ATOM 0 H LEU A 79 -15.146 5.178 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.120 7.823 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -13.330 5.241 -1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.372 6.653 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.684 6.985 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -12.698 5.771 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -13.918 6.729 1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -13.831 4.968 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.783 4.766 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.912 3.971 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.619 5.018 -0.263 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.959 7.302 -2.802 1.00 0.00 N ATOM 1327 CA ARG A 80 -15.232 8.050 -4.064 1.00 0.00 C ATOM 1328 C ARG A 80 -16.343 9.081 -3.848 1.00 0.00 C ATOM 1329 O ARG A 80 -16.321 10.157 -4.411 1.00 0.00 O ATOM 1330 CB ARG A 80 -15.681 6.981 -5.061 1.00 0.00 C ATOM 1331 CG ARG A 80 -16.042 7.642 -6.393 1.00 0.00 C ATOM 1332 CD ARG A 80 -14.821 8.384 -6.941 1.00 0.00 C ATOM 1333 NE ARG A 80 -15.213 8.813 -8.312 1.00 0.00 N ATOM 1334 CZ ARG A 80 -15.226 10.081 -8.620 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -15.927 10.919 -7.907 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -14.535 10.510 -9.640 1.00 0.00 N ATOM 0 H ARG A 80 -15.137 6.298 -2.845 1.00 0.00 H new ATOM 0 HA ARG A 80 -14.359 8.600 -4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.886 6.251 -5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.541 6.440 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.374 6.888 -7.107 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.871 8.336 -6.254 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.567 9.241 -6.317 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -13.944 7.737 -6.966 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.471 8.116 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.465 10.583 -7.108 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -15.937 11.910 -8.148 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.985 9.855 -10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.544 11.501 -9.882 1.00 0.00 H new ATOM 1350 N ILE A 81 -17.317 8.761 -3.043 1.00 0.00 N ATOM 1351 CA ILE A 81 -18.432 9.717 -2.798 1.00 0.00 C ATOM 1352 C ILE A 81 -17.927 10.976 -2.083 1.00 0.00 C ATOM 1353 O ILE A 81 -18.594 11.993 -2.069 1.00 0.00 O ATOM 1354 CB ILE A 81 -19.408 8.945 -1.910 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -20.198 7.959 -2.770 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -20.375 9.919 -1.235 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -21.080 7.087 -1.872 1.00 0.00 C ATOM 0 H ILE A 81 -17.389 7.875 -2.542 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.893 10.059 -3.724 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.852 8.404 -1.145 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -20.815 8.500 -3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.515 7.333 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.069 9.364 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.813 10.625 -0.624 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.934 10.463 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -21.643 6.384 -2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.453 6.535 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.773 7.720 -1.318 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.768 10.925 -1.482 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.261 12.135 -0.770 1.00 0.00 C ATOM 1371 C ARG A 82 -15.911 13.244 -1.754 1.00 0.00 C ATOM 1372 O ARG A 82 -15.719 13.025 -2.934 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.013 11.697 -0.019 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.353 12.915 0.630 1.00 0.00 C ATOM 1375 CD ARG A 82 -13.466 12.459 1.789 1.00 0.00 C ATOM 1376 NE ARG A 82 -14.364 12.454 2.976 1.00 0.00 N ATOM 1377 CZ ARG A 82 -13.915 12.840 4.139 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -13.504 14.067 4.308 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -13.882 11.998 5.135 1.00 0.00 N ATOM 0 H ARG A 82 -16.157 10.109 -1.453 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.021 12.531 -0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.273 10.962 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.315 11.213 -0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.758 13.455 -0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.115 13.605 0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.051 11.469 1.603 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.624 13.136 1.933 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.332 12.148 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -13.533 14.726 3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -13.153 14.367 5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.207 11.040 5.004 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.531 12.298 6.045 1.00 0.00 H new ATOM 1393 N ASP A 83 -15.832 14.436 -1.253 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.497 15.610 -2.112 1.00 0.00 C ATOM 1395 C ASP A 83 -14.010 15.625 -2.493 1.00 0.00 C ATOM 1396 O ASP A 83 -13.656 15.840 -3.635 1.00 0.00 O ATOM 1397 CB ASP A 83 -15.843 16.830 -1.258 1.00 0.00 C ATOM 1398 CG ASP A 83 -15.141 16.724 0.098 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -15.334 15.722 0.767 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -14.420 17.646 0.444 1.00 0.00 O ATOM 0 H ASP A 83 -15.987 14.657 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.047 15.587 -3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -15.535 17.743 -1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.922 16.893 -1.116 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.139 15.433 -1.538 1.00 0.00 N ATOM 1406 CA ASN A 84 -11.675 15.476 -1.835 1.00 0.00 C ATOM 1407 C ASN A 84 -11.177 14.161 -2.439 1.00 0.00 C ATOM 1408 O ASN A 84 -10.137 14.118 -3.065 1.00 0.00 O ATOM 1409 CB ASN A 84 -11.011 15.721 -0.481 1.00 0.00 C ATOM 1410 CG ASN A 84 -11.069 17.212 -0.147 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -10.112 17.997 -0.559 1.00 0.00 O flip ATOM 1412 ND2 ASN A 84 -11.994 17.667 0.495 1.00 0.00 N flip ATOM 0 H ASN A 84 -13.377 15.248 -0.564 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.442 16.248 -2.568 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.516 15.144 0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -9.975 15.383 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.742 17.053 0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -12.023 18.663 0.712 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.893 13.088 -2.260 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.431 11.796 -2.828 1.00 0.00 C ATOM 1421 C VAL A 85 -11.794 11.717 -4.312 1.00 0.00 C ATOM 1422 O VAL A 85 -12.945 11.834 -4.685 1.00 0.00 O ATOM 1423 CB VAL A 85 -12.181 10.734 -2.032 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.756 9.347 -2.506 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.855 10.890 -0.545 1.00 0.00 C ATOM 0 H VAL A 85 -12.774 13.051 -1.747 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.350 11.670 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.254 10.854 -2.184 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.292 8.588 -1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.988 9.238 -3.565 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.684 9.224 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.390 10.132 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.782 10.769 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.160 11.881 -0.208 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.823 11.527 -5.163 1.00 0.00 N ATOM 1436 CA ARG A 86 -11.120 11.452 -6.622 1.00 0.00 C ATOM 1437 C ARG A 86 -11.182 9.995 -7.088 1.00 0.00 C ATOM 1438 O ARG A 86 -11.980 9.642 -7.934 1.00 0.00 O ATOM 1439 CB ARG A 86 -9.963 12.187 -7.300 1.00 0.00 C ATOM 1440 CG ARG A 86 -10.243 13.692 -7.292 1.00 0.00 C ATOM 1441 CD ARG A 86 -9.296 14.395 -8.269 1.00 0.00 C ATOM 1442 NE ARG A 86 -9.856 15.765 -8.431 1.00 0.00 N ATOM 1443 CZ ARG A 86 -9.435 16.531 -9.399 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -8.224 17.020 -9.365 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -10.221 16.811 -10.402 1.00 0.00 N ATOM 0 H ARG A 86 -9.840 11.421 -4.912 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.085 11.896 -6.866 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.029 11.977 -6.779 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.843 11.834 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.279 13.881 -7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.108 14.092 -6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.279 14.428 -7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.254 13.871 -9.224 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.569 16.104 -7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.608 16.803 -8.582 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.894 17.619 -10.122 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.167 16.431 -10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.890 17.410 -11.158 1.00 0.00 H new ATOM 1459 N ARG A 87 -10.350 9.142 -6.553 1.00 0.00 N ATOM 1460 CA ARG A 87 -10.380 7.716 -6.985 1.00 0.00 C ATOM 1461 C ARG A 87 -9.962 6.790 -5.838 1.00 0.00 C ATOM 1462 O ARG A 87 -9.338 7.206 -4.883 1.00 0.00 O ATOM 1463 CB ARG A 87 -9.370 7.637 -8.124 1.00 0.00 C ATOM 1464 CG ARG A 87 -9.644 8.752 -9.137 1.00 0.00 C ATOM 1465 CD ARG A 87 -8.711 8.590 -10.341 1.00 0.00 C ATOM 1466 NE ARG A 87 -9.461 9.161 -11.494 1.00 0.00 N ATOM 1467 CZ ARG A 87 -8.918 10.092 -12.230 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -8.392 11.144 -11.666 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -8.897 9.968 -13.529 1.00 0.00 N ATOM 0 H ARG A 87 -9.656 9.369 -5.841 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.378 7.402 -7.289 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.357 7.730 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.434 6.665 -8.613 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.684 8.715 -9.462 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.490 9.726 -8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.770 9.117 -10.184 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.465 7.542 -10.511 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.400 8.824 -11.709 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.405 11.239 -10.650 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.967 11.872 -12.240 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.305 9.143 -13.969 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.473 10.696 -14.104 1.00 0.00 H new ATOM 1483 N VAL A 88 -10.301 5.533 -5.937 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.926 4.564 -4.865 1.00 0.00 C ATOM 1485 C VAL A 88 -9.280 3.321 -5.483 1.00 0.00 C ATOM 1486 O VAL A 88 -9.874 2.646 -6.300 1.00 0.00 O ATOM 1487 CB VAL A 88 -11.243 4.196 -4.185 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -10.959 3.356 -2.939 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.982 5.474 -3.781 1.00 0.00 C ATOM 0 H VAL A 88 -10.823 5.133 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.207 4.984 -4.162 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.860 3.621 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.900 3.094 -2.455 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.433 2.446 -3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.342 3.929 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.922 5.213 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.365 6.049 -3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.186 6.072 -4.669 1.00 0.00 H new ATOM 1499 N MET A 89 -8.072 3.010 -5.104 1.00 0.00 N ATOM 1500 CA MET A 89 -7.403 1.806 -5.678 1.00 0.00 C ATOM 1501 C MET A 89 -6.842 0.921 -4.561 1.00 0.00 C ATOM 1502 O MET A 89 -6.143 1.382 -3.681 1.00 0.00 O ATOM 1503 CB MET A 89 -6.271 2.357 -6.546 1.00 0.00 C ATOM 1504 CG MET A 89 -6.673 2.278 -8.020 1.00 0.00 C ATOM 1505 SD MET A 89 -5.186 2.159 -9.046 1.00 0.00 S ATOM 1506 CE MET A 89 -5.271 3.819 -9.758 1.00 0.00 C ATOM 0 H MET A 89 -7.520 3.534 -4.425 1.00 0.00 H new ATOM 0 HA MET A 89 -8.094 1.188 -6.251 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.058 3.390 -6.271 1.00 0.00 H new ATOM 0 HB3 MET A 89 -5.358 1.787 -6.376 1.00 0.00 H new ATOM 0 HG2 MET A 89 -7.313 1.412 -8.187 1.00 0.00 H new ATOM 0 HG3 MET A 89 -7.250 3.160 -8.298 1.00 0.00 H new ATOM 0 HE1 MET A 89 -4.432 3.967 -10.437 1.00 0.00 H new ATOM 0 HE2 MET A 89 -6.206 3.932 -10.306 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.227 4.560 -8.960 1.00 0.00 H new ATOM 1516 N VAL A 90 -7.139 -0.350 -4.598 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.620 -1.271 -3.546 1.00 0.00 C ATOM 1518 C VAL A 90 -5.733 -2.342 -4.189 1.00 0.00 C ATOM 1519 O VAL A 90 -6.186 -3.143 -4.982 1.00 0.00 O ATOM 1520 CB VAL A 90 -7.866 -1.901 -2.921 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -7.483 -3.188 -2.187 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.490 -0.917 -1.926 1.00 0.00 C ATOM 0 H VAL A 90 -7.719 -0.791 -5.312 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.013 -0.758 -2.800 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.584 -2.134 -3.708 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.374 -3.633 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.039 -3.891 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.763 -2.958 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.378 -1.365 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.768 -0.685 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.768 -0.001 -2.446 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.473 -2.359 -3.855 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.556 -3.375 -4.452 1.00 0.00 C ATOM 1534 C VAL A 91 -2.923 -4.228 -3.349 1.00 0.00 C ATOM 1535 O VAL A 91 -2.790 -3.800 -2.220 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.480 -2.574 -5.190 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -1.824 -3.459 -6.251 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -3.112 -1.353 -5.871 1.00 0.00 C ATOM 0 H VAL A 91 -4.037 -1.715 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.083 -4.054 -5.122 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.730 -2.239 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.058 -2.889 -6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.367 -4.325 -5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.579 -3.795 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.340 -0.788 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.866 -1.684 -6.585 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.579 -0.718 -5.118 1.00 0.00 H new ATOM 1548 N LYS A 92 -2.535 -5.432 -3.667 1.00 0.00 N ATOM 1549 CA LYS A 92 -1.912 -6.309 -2.632 1.00 0.00 C ATOM 1550 C LYS A 92 -0.420 -5.987 -2.494 1.00 0.00 C ATOM 1551 O LYS A 92 0.195 -5.457 -3.397 1.00 0.00 O ATOM 1552 CB LYS A 92 -2.116 -7.736 -3.147 1.00 0.00 C ATOM 1553 CG LYS A 92 -1.114 -8.032 -4.267 1.00 0.00 C ATOM 1554 CD LYS A 92 -1.705 -9.074 -5.220 1.00 0.00 C ATOM 1555 CE LYS A 92 -1.499 -8.621 -6.668 1.00 0.00 C ATOM 1556 NZ LYS A 92 -0.355 -9.433 -7.167 1.00 0.00 N ATOM 0 H LYS A 92 -2.621 -5.847 -4.595 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.356 -6.168 -1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.986 -8.448 -2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.134 -7.857 -3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.880 -7.117 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.179 -8.399 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -1.228 -10.041 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.768 -9.206 -5.017 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.394 -8.791 -7.266 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.279 -7.555 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.154 -9.179 -8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.485 -9.245 -6.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.596 -10.443 -7.112 1.00 0.00 H new ATOM 1570 N SER A 93 0.164 -6.303 -1.370 1.00 0.00 N ATOM 1571 CA SER A 93 1.614 -6.011 -1.178 1.00 0.00 C ATOM 1572 C SER A 93 2.372 -7.289 -0.810 1.00 0.00 C ATOM 1573 O SER A 93 1.869 -8.141 -0.104 1.00 0.00 O ATOM 1574 CB SER A 93 1.669 -5.009 -0.026 1.00 0.00 C ATOM 1575 OG SER A 93 2.756 -5.335 0.830 1.00 0.00 O ATOM 0 H SER A 93 -0.299 -6.750 -0.578 1.00 0.00 H new ATOM 0 HA SER A 93 2.076 -5.619 -2.084 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.788 -3.997 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.733 -5.028 0.533 1.00 0.00 H new ATOM 0 HG SER A 93 2.675 -4.833 1.668 1.00 0.00 H new