USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 842 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 77 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5!) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0979 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.25! C(o=-3.3!,f=-4.5!) USER MOD Single : A 17 GLN : amide:sc= -2.37 K(o=-2.4,f=-4.3!) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= 0.595 (180deg=-0.027) USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= 0.052 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0424 USER MOD Single : A 44 GLN : amide:sc= 0.161 K(o=0.16,f=-5.3!) USER MOD Single : A 48 ASN : amide:sc= -0.891 K(o=-0.89,f=-2.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 30:sc= -1.21 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 81 SER OG : rot 180:sc= -0.256 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 80:sc= -6.91! USER MOD Single : A 95 GLN : amide:sc= -0.0726 X(o=-0.073,f=-0.14) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.028 42.722 32.528 1.00 0.00 N ATOM 2 CA GLY A 1 -22.017 42.246 31.598 1.00 0.00 C ATOM 3 C GLY A 1 -22.648 41.406 30.486 1.00 0.00 C ATOM 4 O GLY A 1 -23.846 41.130 30.515 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.048 43.762 32.516 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.959 42.354 32.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.801 42.391 33.487 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.489 43.095 31.163 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.277 41.651 32.133 1.00 0.00 H new ATOM 8 N SER A 2 -21.812 41.023 29.531 1.00 0.00 N ATOM 9 CA SER A 2 -22.272 40.221 28.411 1.00 0.00 C ATOM 10 C SER A 2 -21.117 39.386 27.856 1.00 0.00 C ATOM 11 O SER A 2 -21.194 38.159 27.820 1.00 0.00 O ATOM 12 CB SER A 2 -22.868 41.101 27.311 1.00 0.00 C ATOM 13 OG SER A 2 -24.288 40.991 27.249 1.00 0.00 O ATOM 0 H SER A 2 -20.819 41.254 29.511 1.00 0.00 H new ATOM 0 HA SER A 2 -23.056 39.553 28.768 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.592 42.140 27.489 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.440 40.818 26.349 1.00 0.00 H new ATOM 0 HG SER A 2 -24.630 41.569 26.536 1.00 0.00 H new ATOM 19 N SER A 3 -20.072 40.085 27.436 1.00 0.00 N ATOM 20 CA SER A 3 -18.902 39.423 26.885 1.00 0.00 C ATOM 21 C SER A 3 -19.285 38.651 25.620 1.00 0.00 C ATOM 22 O SER A 3 -20.460 38.368 25.394 1.00 0.00 O ATOM 23 CB SER A 3 -18.266 38.482 27.910 1.00 0.00 C ATOM 24 OG SER A 3 -16.948 38.890 28.264 1.00 0.00 O ATOM 0 H SER A 3 -20.012 41.103 27.466 1.00 0.00 H new ATOM 0 HA SER A 3 -18.167 40.186 26.629 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.887 38.448 28.805 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.236 37.471 27.504 1.00 0.00 H new ATOM 0 HG SER A 3 -16.577 38.265 28.921 1.00 0.00 H new ATOM 30 N GLY A 4 -18.270 38.332 24.831 1.00 0.00 N ATOM 31 CA GLY A 4 -18.486 37.598 23.595 1.00 0.00 C ATOM 32 C GLY A 4 -17.155 37.205 22.951 1.00 0.00 C ATOM 33 O GLY A 4 -16.163 37.920 23.082 1.00 0.00 O ATOM 0 H GLY A 4 -17.296 38.568 25.023 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.074 36.703 23.797 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.063 38.209 22.901 1.00 0.00 H new ATOM 37 N SER A 5 -17.176 36.069 22.270 1.00 0.00 N ATOM 38 CA SER A 5 -15.983 35.572 21.605 1.00 0.00 C ATOM 39 C SER A 5 -16.366 34.532 20.550 1.00 0.00 C ATOM 40 O SER A 5 -17.511 34.086 20.501 1.00 0.00 O ATOM 41 CB SER A 5 -15.002 34.970 22.613 1.00 0.00 C ATOM 42 OG SER A 5 -13.714 35.574 22.530 1.00 0.00 O ATOM 0 H SER A 5 -18.001 35.478 22.164 1.00 0.00 H new ATOM 0 HA SER A 5 -15.489 36.411 21.115 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.396 35.094 23.621 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.912 33.898 22.436 1.00 0.00 H new ATOM 0 HG SER A 5 -13.117 35.164 23.190 1.00 0.00 H new ATOM 48 N SER A 6 -15.386 34.177 19.733 1.00 0.00 N ATOM 49 CA SER A 6 -15.606 33.197 18.682 1.00 0.00 C ATOM 50 C SER A 6 -14.863 31.901 19.011 1.00 0.00 C ATOM 51 O SER A 6 -13.971 31.890 19.858 1.00 0.00 O ATOM 52 CB SER A 6 -15.157 33.737 17.323 1.00 0.00 C ATOM 53 OG SER A 6 -15.969 33.249 16.259 1.00 0.00 O ATOM 0 H SER A 6 -14.438 34.550 19.777 1.00 0.00 H new ATOM 0 HA SER A 6 -16.675 32.990 18.625 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.193 34.826 17.336 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.119 33.455 17.146 1.00 0.00 H new ATOM 0 HG SER A 6 -15.651 33.618 15.409 1.00 0.00 H new ATOM 59 N GLY A 7 -15.258 30.840 18.323 1.00 0.00 N ATOM 60 CA GLY A 7 -14.640 29.541 18.531 1.00 0.00 C ATOM 61 C GLY A 7 -14.895 28.615 17.340 1.00 0.00 C ATOM 62 O GLY A 7 -15.963 28.659 16.733 1.00 0.00 O ATOM 0 H GLY A 7 -15.998 30.853 17.621 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.567 29.664 18.677 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.035 29.088 19.440 1.00 0.00 H new ATOM 66 N ALA A 8 -13.895 27.799 17.041 1.00 0.00 N ATOM 67 CA ALA A 8 -13.997 26.864 15.934 1.00 0.00 C ATOM 68 C ALA A 8 -12.693 26.073 15.818 1.00 0.00 C ATOM 69 O ALA A 8 -11.750 26.308 16.572 1.00 0.00 O ATOM 70 CB ALA A 8 -14.332 27.628 14.650 1.00 0.00 C ATOM 0 H ALA A 8 -13.010 27.766 17.547 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.801 26.149 16.108 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.409 26.927 13.819 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.281 28.149 14.774 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.545 28.353 14.442 1.00 0.00 H new ATOM 76 N ILE A 9 -12.680 25.150 14.866 1.00 0.00 N ATOM 77 CA ILE A 9 -11.507 24.323 14.642 1.00 0.00 C ATOM 78 C ILE A 9 -10.253 25.197 14.700 1.00 0.00 C ATOM 79 O ILE A 9 -10.315 26.397 14.435 1.00 0.00 O ATOM 80 CB ILE A 9 -11.648 23.536 13.338 1.00 0.00 C ATOM 81 CG1 ILE A 9 -12.838 22.576 13.403 1.00 0.00 C ATOM 82 CG2 ILE A 9 -10.346 22.812 12.990 1.00 0.00 C ATOM 83 CD1 ILE A 9 -13.408 22.314 12.007 1.00 0.00 C ATOM 0 H ILE A 9 -13.463 24.957 14.242 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.412 23.576 15.430 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.848 24.243 12.533 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.526 21.634 13.855 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.614 22.995 14.044 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.474 22.260 12.059 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.544 23.541 12.873 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.091 22.118 13.791 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.252 21.629 12.081 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.741 23.254 11.568 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.637 21.872 11.376 1.00 0.00 H new ATOM 95 N TYR A 10 -9.143 24.562 15.049 1.00 0.00 N ATOM 96 CA TYR A 10 -7.877 25.267 15.145 1.00 0.00 C ATOM 97 C TYR A 10 -6.714 24.367 14.721 1.00 0.00 C ATOM 98 O TYR A 10 -6.136 23.663 15.548 1.00 0.00 O ATOM 99 CB TYR A 10 -7.710 25.635 16.621 1.00 0.00 C ATOM 100 CG TYR A 10 -6.258 25.868 17.044 1.00 0.00 C ATOM 101 CD1 TYR A 10 -5.610 27.030 16.676 1.00 0.00 C ATOM 102 CD2 TYR A 10 -5.596 24.916 17.792 1.00 0.00 C ATOM 103 CE1 TYR A 10 -4.244 27.249 17.074 1.00 0.00 C ATOM 104 CE2 TYR A 10 -4.229 25.135 18.190 1.00 0.00 C ATOM 105 CZ TYR A 10 -3.621 26.291 17.812 1.00 0.00 C ATOM 106 OH TYR A 10 -2.330 26.498 18.187 1.00 0.00 O ATOM 0 H TYR A 10 -9.095 23.567 15.269 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.874 26.141 14.493 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -8.287 26.536 16.828 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.133 24.839 17.233 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.128 27.775 16.090 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.103 24.007 18.079 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.725 28.154 16.793 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -3.699 24.398 18.775 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.014 25.732 18.710 1.00 0.00 H new ATOM 116 N VAL A 11 -6.407 24.418 13.434 1.00 0.00 N ATOM 117 CA VAL A 11 -5.324 23.616 12.890 1.00 0.00 C ATOM 118 C VAL A 11 -5.694 22.135 12.989 1.00 0.00 C ATOM 119 O VAL A 11 -5.956 21.628 14.079 1.00 0.00 O ATOM 120 CB VAL A 11 -4.013 23.954 13.604 1.00 0.00 C ATOM 121 CG1 VAL A 11 -3.130 22.713 13.744 1.00 0.00 C ATOM 122 CG2 VAL A 11 -3.269 25.078 12.880 1.00 0.00 C ATOM 0 H VAL A 11 -6.889 25.002 12.751 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.172 23.844 11.835 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.258 24.306 14.606 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.205 22.980 14.255 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.657 21.955 14.322 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.898 22.318 12.755 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.341 25.299 13.408 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.041 24.766 11.861 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.894 25.971 12.855 1.00 0.00 H new ATOM 132 N ASP A 12 -5.702 21.482 11.836 1.00 0.00 N ATOM 133 CA ASP A 12 -6.035 20.068 11.779 1.00 0.00 C ATOM 134 C ASP A 12 -5.502 19.476 10.473 1.00 0.00 C ATOM 135 O ASP A 12 -6.082 19.686 9.409 1.00 0.00 O ATOM 136 CB ASP A 12 -7.550 19.858 11.810 1.00 0.00 C ATOM 137 CG ASP A 12 -8.107 19.355 13.143 1.00 0.00 C ATOM 138 OD1 ASP A 12 -7.550 18.358 13.651 1.00 0.00 O ATOM 139 OD2 ASP A 12 -9.076 19.980 13.625 1.00 0.00 O ATOM 0 H ASP A 12 -5.483 21.906 10.934 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.586 19.580 12.644 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.037 20.801 11.563 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.819 19.146 11.030 1.00 0.00 H new ATOM 144 N LEU A 13 -4.403 18.746 10.598 1.00 0.00 N ATOM 145 CA LEU A 13 -3.785 18.121 9.441 1.00 0.00 C ATOM 146 C LEU A 13 -4.833 17.297 8.690 1.00 0.00 C ATOM 147 O LEU A 13 -5.730 16.721 9.303 1.00 0.00 O ATOM 148 CB LEU A 13 -2.554 17.314 9.861 1.00 0.00 C ATOM 149 CG LEU A 13 -1.283 18.122 10.131 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.419 17.445 11.197 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.506 18.369 8.836 1.00 0.00 C ATOM 0 H LEU A 13 -3.925 18.574 11.482 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.420 18.880 8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.802 16.753 10.762 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.338 16.585 9.080 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.574 19.096 10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.478 18.040 11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.984 17.363 12.125 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.134 16.450 10.856 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.393 18.945 9.055 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.225 17.414 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.131 18.924 8.137 1.00 0.00 H new ATOM 163 N PRO A 14 -4.681 17.268 7.339 1.00 0.00 N ATOM 164 CA PRO A 14 -5.605 16.525 6.498 1.00 0.00 C ATOM 165 C PRO A 14 -5.344 15.020 6.595 1.00 0.00 C ATOM 166 O PRO A 14 -4.248 14.598 6.961 1.00 0.00 O ATOM 167 CB PRO A 14 -5.392 17.075 5.098 1.00 0.00 C ATOM 168 CG PRO A 14 -4.041 17.772 5.124 1.00 0.00 C ATOM 169 CD PRO A 14 -3.631 17.939 6.579 1.00 0.00 C ATOM 0 HA PRO A 14 -6.644 16.646 6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.404 16.275 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.186 17.772 4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.298 17.186 4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.102 18.742 4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.656 17.491 6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.556 18.992 6.851 1.00 0.00 H new ATOM 177 N ASN A 15 -6.370 14.251 6.260 1.00 0.00 N ATOM 178 CA ASN A 15 -6.266 12.803 6.305 1.00 0.00 C ATOM 179 C ASN A 15 -7.354 12.190 5.421 1.00 0.00 C ATOM 180 O ASN A 15 -8.478 12.688 5.379 1.00 0.00 O ATOM 181 CB ASN A 15 -6.464 12.280 7.729 1.00 0.00 C ATOM 182 CG ASN A 15 -6.030 13.323 8.761 1.00 0.00 C ATOM 183 OD1 ASN A 15 -4.855 13.527 9.019 1.00 0.00 O ATOM 184 ND2 ASN A 15 -7.040 13.968 9.336 1.00 0.00 N ATOM 0 H ASN A 15 -7.277 14.604 5.956 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.272 12.526 5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.512 12.024 7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.889 11.365 7.867 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.854 14.683 10.040 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -8.001 13.748 9.074 1.00 0.00 H new ATOM 191 N ARG A 16 -6.981 11.119 4.735 1.00 0.00 N ATOM 192 CA ARG A 16 -7.912 10.434 3.855 1.00 0.00 C ATOM 193 C ARG A 16 -7.573 8.943 3.781 1.00 0.00 C ATOM 194 O ARG A 16 -6.406 8.574 3.659 1.00 0.00 O ATOM 195 CB ARG A 16 -7.876 11.028 2.445 1.00 0.00 C ATOM 196 CG ARG A 16 -9.107 10.606 1.641 1.00 0.00 C ATOM 197 CD ARG A 16 -10.364 11.312 2.152 1.00 0.00 C ATOM 198 NE ARG A 16 -10.633 12.520 1.341 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.417 13.532 1.736 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.016 13.487 2.934 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.604 14.588 0.933 1.00 0.00 N ATOM 0 H ARG A 16 -6.048 10.709 4.771 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.913 10.563 4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.832 12.115 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.972 10.701 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.956 10.842 0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.238 9.526 1.710 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.216 10.634 2.103 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.236 11.588 3.199 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.194 12.586 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.875 12.682 3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.613 14.257 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.149 14.622 0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.201 15.358 1.234 1.00 0.00 H new ATOM 215 N GLN A 17 -8.614 8.128 3.859 1.00 0.00 N ATOM 216 CA GLN A 17 -8.441 6.686 3.803 1.00 0.00 C ATOM 217 C GLN A 17 -9.484 6.062 2.873 1.00 0.00 C ATOM 218 O GLN A 17 -10.682 6.290 3.036 1.00 0.00 O ATOM 219 CB GLN A 17 -8.515 6.070 5.201 1.00 0.00 C ATOM 220 CG GLN A 17 -9.957 6.042 5.713 1.00 0.00 C ATOM 221 CD GLN A 17 -10.521 7.459 5.840 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.814 8.414 6.117 1.00 0.00 O ATOM 223 NE2 GLN A 17 -11.830 7.541 5.623 1.00 0.00 N ATOM 0 H GLN A 17 -9.580 8.438 3.961 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.450 6.474 3.401 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.114 5.057 5.177 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.893 6.643 5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.577 5.459 5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.993 5.544 6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.363 6.702 5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.302 8.443 5.684 1.00 0.00 H new ATOM 232 N LEU A 18 -8.991 5.288 1.918 1.00 0.00 N ATOM 233 CA LEU A 18 -9.866 4.629 0.962 1.00 0.00 C ATOM 234 C LEU A 18 -9.984 3.147 1.323 1.00 0.00 C ATOM 235 O LEU A 18 -9.367 2.687 2.282 1.00 0.00 O ATOM 236 CB LEU A 18 -9.381 4.878 -0.467 1.00 0.00 C ATOM 237 CG LEU A 18 -8.728 6.237 -0.727 1.00 0.00 C ATOM 238 CD1 LEU A 18 -9.647 7.380 -0.293 1.00 0.00 C ATOM 239 CD2 LEU A 18 -7.354 6.321 -0.058 1.00 0.00 C ATOM 0 H LEU A 18 -7.997 5.102 1.785 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.870 5.050 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.666 4.098 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.230 4.770 -1.142 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.571 6.341 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.158 8.334 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.581 7.329 -0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.858 7.293 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.911 7.297 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.464 6.186 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.707 5.540 -0.457 1.00 0.00 H new ATOM 251 N LYS A 19 -10.781 2.441 0.534 1.00 0.00 N ATOM 252 CA LYS A 19 -10.987 1.020 0.758 1.00 0.00 C ATOM 253 C LYS A 19 -10.558 0.244 -0.489 1.00 0.00 C ATOM 254 O LYS A 19 -11.003 0.545 -1.596 1.00 0.00 O ATOM 255 CB LYS A 19 -12.432 0.749 1.184 1.00 0.00 C ATOM 256 CG LYS A 19 -12.833 -0.694 0.874 1.00 0.00 C ATOM 257 CD LYS A 19 -13.806 -0.752 -0.305 1.00 0.00 C ATOM 258 CE LYS A 19 -13.115 -1.291 -1.560 1.00 0.00 C ATOM 259 NZ LYS A 19 -13.320 -0.371 -2.700 1.00 0.00 N ATOM 0 H LYS A 19 -11.291 2.826 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.365 0.670 1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.542 0.939 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.102 1.436 0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.944 -1.281 0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -13.294 -1.144 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.654 -1.388 -0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.203 0.244 -0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -12.048 -1.413 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.510 -2.277 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -13.273 -0.906 -3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.252 0.082 -2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.579 0.358 -2.695 1.00 0.00 H new ATOM 273 N VAL A 20 -9.699 -0.740 -0.268 1.00 0.00 N ATOM 274 CA VAL A 20 -9.204 -1.561 -1.360 1.00 0.00 C ATOM 275 C VAL A 20 -9.456 -3.035 -1.038 1.00 0.00 C ATOM 276 O VAL A 20 -8.669 -3.663 -0.331 1.00 0.00 O ATOM 277 CB VAL A 20 -7.729 -1.250 -1.623 1.00 0.00 C ATOM 278 CG1 VAL A 20 -7.181 -2.113 -2.761 1.00 0.00 C ATOM 279 CG2 VAL A 20 -7.526 0.238 -1.916 1.00 0.00 C ATOM 0 H VAL A 20 -9.333 -0.987 0.651 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.739 -1.333 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.169 -1.493 -0.720 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.131 -1.872 -2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.274 -3.166 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.747 -1.917 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.469 0.432 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.104 0.518 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.860 0.826 -1.061 1.00 0.00 H new ATOM 289 N LYS A 21 -10.557 -3.545 -1.572 1.00 0.00 N ATOM 290 CA LYS A 21 -10.922 -4.933 -1.350 1.00 0.00 C ATOM 291 C LYS A 21 -9.942 -5.840 -2.097 1.00 0.00 C ATOM 292 O LYS A 21 -10.100 -6.080 -3.293 1.00 0.00 O ATOM 293 CB LYS A 21 -12.386 -5.169 -1.727 1.00 0.00 C ATOM 294 CG LYS A 21 -13.278 -5.180 -0.483 1.00 0.00 C ATOM 295 CD LYS A 21 -14.719 -5.545 -0.845 1.00 0.00 C ATOM 296 CE LYS A 21 -15.358 -6.403 0.249 1.00 0.00 C ATOM 297 NZ LYS A 21 -16.759 -5.984 0.483 1.00 0.00 N ATOM 0 H LYS A 21 -11.207 -3.021 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.845 -5.182 -0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.719 -4.389 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.481 -6.118 -2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.889 -5.895 0.242 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.256 -4.200 -0.007 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.303 -4.636 -0.987 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.734 -6.085 -1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.330 -7.453 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.786 -6.312 1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.009 -6.148 1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.860 -4.973 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.393 -6.536 -0.129 1.00 0.00 H new ATOM 311 N VAL A 22 -8.950 -6.319 -1.360 1.00 0.00 N ATOM 312 CA VAL A 22 -7.944 -7.194 -1.937 1.00 0.00 C ATOM 313 C VAL A 22 -8.458 -8.635 -1.923 1.00 0.00 C ATOM 314 O VAL A 22 -9.582 -8.892 -1.495 1.00 0.00 O ATOM 315 CB VAL A 22 -6.616 -7.026 -1.195 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.186 -5.558 -1.168 1.00 0.00 C ATOM 317 CG2 VAL A 22 -6.704 -7.599 0.221 1.00 0.00 C ATOM 0 H VAL A 22 -8.822 -6.117 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.756 -6.926 -2.977 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.855 -7.588 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.240 -5.466 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.064 -5.196 -2.189 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.947 -4.965 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.748 -7.467 0.727 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.483 -7.078 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.944 -8.661 0.169 1.00 0.00 H new ATOM 327 N ALA A 23 -7.611 -9.536 -2.397 1.00 0.00 N ATOM 328 CA ALA A 23 -7.966 -10.945 -2.445 1.00 0.00 C ATOM 329 C ALA A 23 -6.944 -11.751 -1.641 1.00 0.00 C ATOM 330 O ALA A 23 -7.316 -12.585 -0.817 1.00 0.00 O ATOM 331 CB ALA A 23 -8.052 -11.401 -3.903 1.00 0.00 C ATOM 0 H ALA A 23 -6.680 -9.318 -2.751 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.945 -11.110 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.318 -12.457 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.812 -10.818 -4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.087 -11.253 -4.388 1.00 0.00 H new ATOM 337 N ASP A 24 -5.677 -11.474 -1.908 1.00 0.00 N ATOM 338 CA ASP A 24 -4.599 -12.163 -1.219 1.00 0.00 C ATOM 339 C ASP A 24 -4.872 -12.152 0.286 1.00 0.00 C ATOM 340 O ASP A 24 -4.800 -11.104 0.926 1.00 0.00 O ATOM 341 CB ASP A 24 -3.257 -11.468 -1.461 1.00 0.00 C ATOM 342 CG ASP A 24 -2.255 -12.269 -2.295 1.00 0.00 C ATOM 343 OD1 ASP A 24 -2.682 -13.299 -2.860 1.00 0.00 O ATOM 344 OD2 ASP A 24 -1.085 -11.834 -2.348 1.00 0.00 O ATOM 0 H ASP A 24 -5.372 -10.782 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.552 -13.182 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.442 -10.516 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.804 -11.240 -0.496 1.00 0.00 H new ATOM 349 N ARG A 25 -5.179 -13.331 0.808 1.00 0.00 N ATOM 350 CA ARG A 25 -5.463 -13.470 2.226 1.00 0.00 C ATOM 351 C ARG A 25 -5.630 -14.947 2.592 1.00 0.00 C ATOM 352 O ARG A 25 -6.634 -15.566 2.244 1.00 0.00 O ATOM 353 CB ARG A 25 -6.735 -12.710 2.610 1.00 0.00 C ATOM 354 CG ARG A 25 -6.662 -12.215 4.056 1.00 0.00 C ATOM 355 CD ARG A 25 -5.624 -11.100 4.202 1.00 0.00 C ATOM 356 NE ARG A 25 -6.302 -9.809 4.457 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.687 -8.619 4.428 1.00 0.00 C ATOM 358 NH1 ARG A 25 -4.377 -8.548 4.154 1.00 0.00 N ATOM 359 NH2 ARG A 25 -6.381 -7.499 4.672 1.00 0.00 N ATOM 0 H ARG A 25 -5.237 -14.198 0.274 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.621 -13.049 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.874 -11.863 1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.602 -13.359 2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.640 -11.849 4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -6.406 -13.044 4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.943 -11.331 5.021 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.022 -11.031 3.296 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.300 -9.826 4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.848 -9.400 3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.909 -7.642 4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.378 -7.552 4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.912 -6.593 4.650 1.00 0.00 H new ATOM 373 N ARG A 26 -4.630 -15.467 3.288 1.00 0.00 N ATOM 374 CA ARG A 26 -4.653 -16.859 3.704 1.00 0.00 C ATOM 375 C ARG A 26 -3.568 -17.117 4.752 1.00 0.00 C ATOM 376 O ARG A 26 -2.573 -16.397 4.812 1.00 0.00 O ATOM 377 CB ARG A 26 -4.434 -17.794 2.513 1.00 0.00 C ATOM 378 CG ARG A 26 -5.610 -18.758 2.350 1.00 0.00 C ATOM 379 CD ARG A 26 -5.230 -20.169 2.804 1.00 0.00 C ATOM 380 NE ARG A 26 -6.157 -21.159 2.211 1.00 0.00 N ATOM 381 CZ ARG A 26 -7.428 -21.325 2.601 1.00 0.00 C ATOM 382 NH1 ARG A 26 -7.931 -20.569 3.586 1.00 0.00 N ATOM 383 NH2 ARG A 26 -8.196 -22.248 2.006 1.00 0.00 N ATOM 0 H ARG A 26 -3.799 -14.950 3.574 1.00 0.00 H new ATOM 0 HA ARG A 26 -5.634 -17.061 4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.311 -17.207 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.513 -18.359 2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.460 -18.402 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.925 -18.780 1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.206 -20.393 2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.265 -20.232 3.892 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.806 -21.752 1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.346 -19.867 4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.899 -20.696 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.813 -22.824 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.164 -22.375 2.303 1.00 0.00 H new ATOM 397 N VAL A 27 -3.798 -18.148 5.553 1.00 0.00 N ATOM 398 CA VAL A 27 -2.853 -18.510 6.596 1.00 0.00 C ATOM 399 C VAL A 27 -2.701 -17.340 7.569 1.00 0.00 C ATOM 400 O VAL A 27 -1.769 -16.546 7.450 1.00 0.00 O ATOM 401 CB VAL A 27 -1.526 -18.945 5.971 1.00 0.00 C ATOM 402 CG1 VAL A 27 -0.453 -19.141 7.044 1.00 0.00 C ATOM 403 CG2 VAL A 27 -1.703 -20.213 5.134 1.00 0.00 C ATOM 0 H VAL A 27 -4.624 -18.743 5.501 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.222 -19.361 7.168 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.193 -18.149 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.480 -19.450 6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.297 -18.204 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.777 -19.909 7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.745 -20.500 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.071 -21.019 5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.420 -20.024 4.335 1.00 0.00 H new ATOM 413 N ILE A 28 -3.630 -17.270 8.511 1.00 0.00 N ATOM 414 CA ILE A 28 -3.611 -16.210 9.504 1.00 0.00 C ATOM 415 C ILE A 28 -2.226 -16.147 10.150 1.00 0.00 C ATOM 416 O ILE A 28 -1.446 -17.093 10.049 1.00 0.00 O ATOM 417 CB ILE A 28 -4.750 -16.396 10.509 1.00 0.00 C ATOM 418 CG1 ILE A 28 -4.975 -15.122 11.325 1.00 0.00 C ATOM 419 CG2 ILE A 28 -4.499 -17.613 11.402 1.00 0.00 C ATOM 420 CD1 ILE A 28 -6.436 -15.002 11.763 1.00 0.00 C ATOM 0 H ILE A 28 -4.401 -17.931 8.607 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.788 -15.243 9.032 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.668 -16.588 9.954 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.328 -15.129 12.202 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.697 -14.251 10.731 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.323 -17.723 12.107 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.428 -18.509 10.785 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.567 -17.476 11.951 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.569 -14.088 12.341 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.078 -14.971 10.883 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.703 -15.862 12.377 1.00 0.00 H new ATOM 432 N SER A 29 -1.961 -15.023 10.799 1.00 0.00 N ATOM 433 CA SER A 29 -0.683 -14.824 11.461 1.00 0.00 C ATOM 434 C SER A 29 -0.777 -13.652 12.440 1.00 0.00 C ATOM 435 O SER A 29 -1.510 -12.694 12.198 1.00 0.00 O ATOM 436 CB SER A 29 0.432 -14.576 10.443 1.00 0.00 C ATOM 437 OG SER A 29 1.684 -14.317 11.074 1.00 0.00 O ATOM 0 H SER A 29 -2.610 -14.240 10.881 1.00 0.00 H new ATOM 0 HA SER A 29 -0.439 -15.732 12.013 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.527 -15.444 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.163 -13.730 9.810 1.00 0.00 H new ATOM 0 HG SER A 29 2.370 -14.166 10.390 1.00 0.00 H new ATOM 443 N THR A 30 -0.025 -13.767 13.525 1.00 0.00 N ATOM 444 CA THR A 30 -0.015 -12.729 14.542 1.00 0.00 C ATOM 445 C THR A 30 1.082 -11.704 14.246 1.00 0.00 C ATOM 446 O THR A 30 2.157 -12.061 13.767 1.00 0.00 O ATOM 447 CB THR A 30 0.136 -13.405 15.906 1.00 0.00 C ATOM 448 OG1 THR A 30 -1.089 -14.112 16.080 1.00 0.00 O ATOM 449 CG2 THR A 30 0.153 -12.399 17.059 1.00 0.00 C ATOM 0 H THR A 30 0.582 -14.563 13.722 1.00 0.00 H new ATOM 0 HA THR A 30 -0.949 -12.167 14.544 1.00 0.00 H new ATOM 0 HB THR A 30 1.055 -13.990 15.922 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.076 -14.582 16.940 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.262 -12.931 18.004 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.990 -11.712 16.930 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.781 -11.836 17.065 1.00 0.00 H new ATOM 457 N THR A 31 0.772 -10.451 14.545 1.00 0.00 N ATOM 458 CA THR A 31 1.718 -9.372 14.318 1.00 0.00 C ATOM 459 C THR A 31 2.158 -8.759 15.649 1.00 0.00 C ATOM 460 O THR A 31 1.358 -8.639 16.575 1.00 0.00 O ATOM 461 CB THR A 31 1.066 -8.363 13.370 1.00 0.00 C ATOM 462 OG1 THR A 31 2.072 -7.374 13.170 1.00 0.00 O ATOM 463 CG2 THR A 31 -0.083 -7.598 14.029 1.00 0.00 C ATOM 0 H THR A 31 -0.121 -10.159 14.942 1.00 0.00 H new ATOM 0 HA THR A 31 2.631 -9.739 13.848 1.00 0.00 H new ATOM 0 HB THR A 31 0.696 -8.883 12.486 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.734 -6.681 12.565 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.510 -6.896 13.313 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.851 -8.301 14.350 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.293 -7.051 14.894 1.00 0.00 H new ATOM 471 N ASP A 32 3.428 -8.386 15.701 1.00 0.00 N ATOM 472 CA ASP A 32 3.984 -7.788 16.903 1.00 0.00 C ATOM 473 C ASP A 32 4.846 -6.585 16.518 1.00 0.00 C ATOM 474 O ASP A 32 4.608 -5.471 16.983 1.00 0.00 O ATOM 475 CB ASP A 32 4.870 -8.784 17.655 1.00 0.00 C ATOM 476 CG ASP A 32 4.672 -8.809 19.172 1.00 0.00 C ATOM 477 OD1 ASP A 32 3.495 -8.776 19.591 1.00 0.00 O ATOM 478 OD2 ASP A 32 5.702 -8.861 19.878 1.00 0.00 O ATOM 0 H ASP A 32 4.088 -8.486 14.930 1.00 0.00 H new ATOM 0 HA ASP A 32 3.155 -7.487 17.544 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.681 -9.783 17.263 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.914 -8.550 17.444 1.00 0.00 H new ATOM 483 N ALA A 33 5.830 -6.850 15.671 1.00 0.00 N ATOM 484 CA ALA A 33 6.729 -5.802 15.217 1.00 0.00 C ATOM 485 C ALA A 33 6.351 -5.394 13.792 1.00 0.00 C ATOM 486 O ALA A 33 7.022 -5.776 12.834 1.00 0.00 O ATOM 487 CB ALA A 33 8.176 -6.291 15.319 1.00 0.00 C ATOM 0 H ALA A 33 6.025 -7.775 15.287 1.00 0.00 H new ATOM 0 HA ALA A 33 6.638 -4.918 15.848 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.850 -5.505 14.979 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.403 -6.541 16.355 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.306 -7.176 14.696 1.00 0.00 H new ATOM 493 N GLU A 34 5.279 -4.622 13.697 1.00 0.00 N ATOM 494 CA GLU A 34 4.804 -4.157 12.405 1.00 0.00 C ATOM 495 C GLU A 34 5.866 -3.285 11.731 1.00 0.00 C ATOM 496 O GLU A 34 6.861 -2.920 12.354 1.00 0.00 O ATOM 497 CB GLU A 34 3.482 -3.399 12.546 1.00 0.00 C ATOM 498 CG GLU A 34 3.675 -2.103 13.335 1.00 0.00 C ATOM 499 CD GLU A 34 2.335 -1.410 13.588 1.00 0.00 C ATOM 500 OE1 GLU A 34 1.647 -1.835 14.541 1.00 0.00 O ATOM 501 OE2 GLU A 34 2.028 -0.471 12.822 1.00 0.00 O ATOM 0 H GLU A 34 4.726 -4.307 14.494 1.00 0.00 H new ATOM 0 HA GLU A 34 4.621 -5.026 11.774 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.082 -3.171 11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.749 -4.030 13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.161 -2.321 14.286 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.337 -1.434 12.785 1.00 0.00 H new ATOM 508 N ARG A 35 5.618 -2.978 10.466 1.00 0.00 N ATOM 509 CA ARG A 35 6.540 -2.156 9.701 1.00 0.00 C ATOM 510 C ARG A 35 7.897 -2.853 9.580 1.00 0.00 C ATOM 511 O ARG A 35 8.712 -2.796 10.499 1.00 0.00 O ATOM 512 CB ARG A 35 6.734 -0.788 10.358 1.00 0.00 C ATOM 513 CG ARG A 35 6.400 0.342 9.382 1.00 0.00 C ATOM 514 CD ARG A 35 7.423 1.474 9.483 1.00 0.00 C ATOM 515 NE ARG A 35 8.652 1.115 8.740 1.00 0.00 N ATOM 516 CZ ARG A 35 9.832 1.730 8.897 1.00 0.00 C ATOM 517 NH1 ARG A 35 9.950 2.739 9.770 1.00 0.00 N ATOM 518 NH2 ARG A 35 10.893 1.336 8.180 1.00 0.00 N ATOM 0 H ARG A 35 4.792 -3.284 9.952 1.00 0.00 H new ATOM 0 HA ARG A 35 6.111 -2.012 8.709 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.098 -0.711 11.240 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.765 -0.687 10.698 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.381 -0.046 8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.403 0.728 9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.000 2.394 9.080 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.663 1.665 10.529 1.00 0.00 H new ATOM 0 HE ARG A 35 8.597 0.351 8.066 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.142 3.039 10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.848 3.207 9.890 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.802 0.568 7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.791 1.804 8.299 1.00 0.00 H new ATOM 532 N GLN A 36 8.096 -3.494 8.438 1.00 0.00 N ATOM 533 CA GLN A 36 9.340 -4.202 8.185 1.00 0.00 C ATOM 534 C GLN A 36 9.675 -4.170 6.692 1.00 0.00 C ATOM 535 O GLN A 36 8.993 -4.800 5.886 1.00 0.00 O ATOM 536 CB GLN A 36 9.267 -5.641 8.699 1.00 0.00 C ATOM 537 CG GLN A 36 10.240 -5.857 9.861 1.00 0.00 C ATOM 538 CD GLN A 36 10.432 -7.349 10.144 1.00 0.00 C ATOM 539 OE1 GLN A 36 9.648 -8.190 9.736 1.00 0.00 O ATOM 540 NE2 GLN A 36 11.516 -7.627 10.863 1.00 0.00 N ATOM 0 H GLN A 36 7.417 -3.538 7.678 1.00 0.00 H new ATOM 0 HA GLN A 36 10.139 -3.697 8.728 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.251 -5.864 9.024 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.502 -6.333 7.890 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.201 -5.401 9.625 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.862 -5.359 10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.130 -6.873 11.172 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.733 -8.594 11.105 1.00 0.00 H new ATOM 549 N ALA A 37 10.724 -3.428 6.369 1.00 0.00 N ATOM 550 CA ALA A 37 11.157 -3.305 4.988 1.00 0.00 C ATOM 551 C ALA A 37 11.272 -4.700 4.368 1.00 0.00 C ATOM 552 O ALA A 37 11.944 -5.573 4.915 1.00 0.00 O ATOM 553 CB ALA A 37 12.477 -2.533 4.933 1.00 0.00 C ATOM 0 H ALA A 37 11.287 -2.906 7.040 1.00 0.00 H new ATOM 0 HA ALA A 37 10.426 -2.744 4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.802 -2.441 3.897 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.335 -1.540 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.235 -3.068 5.505 1.00 0.00 H new ATOM 559 N VAL A 38 10.606 -4.865 3.235 1.00 0.00 N ATOM 560 CA VAL A 38 10.625 -6.139 2.535 1.00 0.00 C ATOM 561 C VAL A 38 10.062 -5.949 1.125 1.00 0.00 C ATOM 562 O VAL A 38 9.543 -4.883 0.798 1.00 0.00 O ATOM 563 CB VAL A 38 9.868 -7.193 3.345 1.00 0.00 C ATOM 564 CG1 VAL A 38 8.368 -6.889 3.374 1.00 0.00 C ATOM 565 CG2 VAL A 38 10.132 -8.597 2.800 1.00 0.00 C ATOM 0 H VAL A 38 10.050 -4.138 2.784 1.00 0.00 H new ATOM 0 HA VAL A 38 11.647 -6.503 2.431 1.00 0.00 H new ATOM 0 HB VAL A 38 10.237 -7.157 4.370 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.853 -7.653 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.203 -5.913 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.978 -6.884 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.582 -9.327 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.804 -8.652 1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.199 -8.814 2.855 1.00 0.00 H new ATOM 575 N THR A 39 10.183 -7.000 0.328 1.00 0.00 N ATOM 576 CA THR A 39 9.692 -6.963 -1.039 1.00 0.00 C ATOM 577 C THR A 39 8.234 -6.500 -1.070 1.00 0.00 C ATOM 578 O THR A 39 7.520 -6.617 -0.075 1.00 0.00 O ATOM 579 CB THR A 39 9.902 -8.348 -1.655 1.00 0.00 C ATOM 580 OG1 THR A 39 9.557 -9.250 -0.607 1.00 0.00 O ATOM 581 CG2 THR A 39 11.376 -8.647 -1.934 1.00 0.00 C ATOM 0 H THR A 39 10.614 -7.883 0.603 1.00 0.00 H new ATOM 0 HA THR A 39 10.244 -6.238 -1.637 1.00 0.00 H new ATOM 0 HB THR A 39 9.335 -8.422 -2.583 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.663 -10.172 -0.921 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.469 -9.641 -2.370 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.772 -7.907 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.938 -8.606 -1.001 1.00 0.00 H new ATOM 589 N PRO A 40 7.824 -5.970 -2.253 1.00 0.00 N ATOM 590 CA PRO A 40 8.733 -5.869 -3.383 1.00 0.00 C ATOM 591 C PRO A 40 9.734 -4.730 -3.180 1.00 0.00 C ATOM 592 O PRO A 40 9.395 -3.695 -2.607 1.00 0.00 O ATOM 593 CB PRO A 40 7.836 -5.663 -4.592 1.00 0.00 C ATOM 594 CG PRO A 40 6.498 -5.193 -4.044 1.00 0.00 C ATOM 595 CD PRO A 40 6.490 -5.456 -2.547 1.00 0.00 C ATOM 0 HA PRO A 40 9.349 -6.759 -3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.261 -4.924 -5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.723 -6.588 -5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.354 -4.132 -4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.679 -5.724 -4.529 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.285 -4.544 -1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.719 -6.177 -2.276 1.00 0.00 H new ATOM 603 N PRO A 41 10.979 -4.965 -3.674 1.00 0.00 N ATOM 604 CA PRO A 41 12.032 -3.971 -3.552 1.00 0.00 C ATOM 605 C PRO A 41 11.819 -2.823 -4.541 1.00 0.00 C ATOM 606 O PRO A 41 12.385 -2.827 -5.634 1.00 0.00 O ATOM 607 CB PRO A 41 13.324 -4.734 -3.797 1.00 0.00 C ATOM 608 CG PRO A 41 12.921 -6.019 -4.502 1.00 0.00 C ATOM 609 CD PRO A 41 11.417 -6.178 -4.357 1.00 0.00 C ATOM 0 HA PRO A 41 12.047 -3.492 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.012 -4.151 -4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.836 -4.947 -2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.201 -5.981 -5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.439 -6.873 -4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.934 -6.281 -5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.167 -7.069 -3.781 1.00 0.00 H new ATOM 617 N GLY A 42 11.002 -1.867 -4.123 1.00 0.00 N ATOM 618 CA GLY A 42 10.707 -0.716 -4.958 1.00 0.00 C ATOM 619 C GLY A 42 9.474 0.032 -4.446 1.00 0.00 C ATOM 620 O GLY A 42 9.464 1.261 -4.400 1.00 0.00 O ATOM 0 H GLY A 42 10.535 -1.867 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.565 -0.043 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.539 -1.041 -5.985 1.00 0.00 H new ATOM 624 N LEU A 43 8.465 -0.742 -4.074 1.00 0.00 N ATOM 625 CA LEU A 43 7.230 -0.168 -3.567 1.00 0.00 C ATOM 626 C LEU A 43 7.560 0.996 -2.630 1.00 0.00 C ATOM 627 O LEU A 43 7.220 2.143 -2.916 1.00 0.00 O ATOM 628 CB LEU A 43 6.362 -1.250 -2.922 1.00 0.00 C ATOM 629 CG LEU A 43 4.902 -0.872 -2.661 1.00 0.00 C ATOM 630 CD1 LEU A 43 4.193 -0.493 -3.963 1.00 0.00 C ATOM 631 CD2 LEU A 43 4.172 -1.990 -1.915 1.00 0.00 C ATOM 0 H LEU A 43 8.477 -1.761 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 43 6.636 0.240 -4.385 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.379 -2.132 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.818 -1.536 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 43 4.886 0.008 -2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.157 -0.229 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.699 0.359 -4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.217 -1.339 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.137 -1.696 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.196 -2.902 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.663 -2.170 -0.959 1.00 0.00 H new ATOM 643 N GLN A 44 8.219 0.660 -1.531 1.00 0.00 N ATOM 644 CA GLN A 44 8.599 1.663 -0.550 1.00 0.00 C ATOM 645 C GLN A 44 9.268 2.853 -1.240 1.00 0.00 C ATOM 646 O GLN A 44 8.873 3.999 -1.031 1.00 0.00 O ATOM 647 CB GLN A 44 9.513 1.064 0.520 1.00 0.00 C ATOM 648 CG GLN A 44 8.712 0.652 1.757 1.00 0.00 C ATOM 649 CD GLN A 44 8.113 -0.745 1.583 1.00 0.00 C ATOM 650 OE1 GLN A 44 8.157 -1.339 0.518 1.00 0.00 O ATOM 651 NE2 GLN A 44 7.553 -1.234 2.685 1.00 0.00 N ATOM 0 H GLN A 44 8.500 -0.293 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 44 7.696 2.017 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.034 0.197 0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.275 1.791 0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.358 0.668 2.635 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.915 1.374 1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.551 -0.683 3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.125 -2.160 2.672 1.00 0.00 H new ATOM 660 N GLU A 45 10.270 2.540 -2.049 1.00 0.00 N ATOM 661 CA GLU A 45 10.999 3.570 -2.771 1.00 0.00 C ATOM 662 C GLU A 45 10.033 4.426 -3.593 1.00 0.00 C ATOM 663 O GLU A 45 9.997 5.646 -3.441 1.00 0.00 O ATOM 664 CB GLU A 45 12.080 2.954 -3.662 1.00 0.00 C ATOM 665 CG GLU A 45 13.369 2.716 -2.874 1.00 0.00 C ATOM 666 CD GLU A 45 14.359 1.876 -3.683 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.742 2.346 -4.776 1.00 0.00 O ATOM 668 OE2 GLU A 45 14.711 0.782 -3.190 1.00 0.00 O ATOM 0 H GLU A 45 10.594 1.588 -2.221 1.00 0.00 H new ATOM 0 HA GLU A 45 11.496 4.213 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.722 2.011 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.282 3.615 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.824 3.673 -2.616 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.138 2.210 -1.937 1.00 0.00 H new ATOM 675 N ALA A 46 9.274 3.752 -4.445 1.00 0.00 N ATOM 676 CA ALA A 46 8.311 4.436 -5.291 1.00 0.00 C ATOM 677 C ALA A 46 7.534 5.453 -4.453 1.00 0.00 C ATOM 678 O ALA A 46 7.740 6.659 -4.584 1.00 0.00 O ATOM 679 CB ALA A 46 7.394 3.407 -5.956 1.00 0.00 C ATOM 0 H ALA A 46 9.307 2.740 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 46 8.819 4.983 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.671 3.920 -6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.991 2.726 -6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.866 2.841 -5.189 1.00 0.00 H new ATOM 685 N ILE A 47 6.656 4.930 -3.609 1.00 0.00 N ATOM 686 CA ILE A 47 5.848 5.777 -2.749 1.00 0.00 C ATOM 687 C ILE A 47 6.756 6.760 -2.009 1.00 0.00 C ATOM 688 O ILE A 47 6.496 7.963 -1.995 1.00 0.00 O ATOM 689 CB ILE A 47 4.978 4.926 -1.822 1.00 0.00 C ATOM 690 CG1 ILE A 47 4.029 4.034 -2.626 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.227 5.802 -0.817 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.642 2.787 -1.829 1.00 0.00 C ATOM 0 H ILE A 47 6.487 3.930 -3.503 1.00 0.00 H new ATOM 0 HA ILE A 47 5.153 6.370 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 47 5.632 4.268 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.132 4.595 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.506 3.739 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.616 5.172 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.943 6.357 -0.211 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.586 6.502 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.967 2.170 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.539 2.216 -1.589 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.144 3.085 -0.906 1.00 0.00 H new ATOM 704 N ASN A 48 7.804 6.213 -1.411 1.00 0.00 N ATOM 705 CA ASN A 48 8.753 7.027 -0.670 1.00 0.00 C ATOM 706 C ASN A 48 9.135 8.248 -1.509 1.00 0.00 C ATOM 707 O ASN A 48 9.146 9.371 -1.008 1.00 0.00 O ATOM 708 CB ASN A 48 10.031 6.243 -0.366 1.00 0.00 C ATOM 709 CG ASN A 48 11.173 7.185 0.022 1.00 0.00 C ATOM 710 OD1 ASN A 48 10.995 8.157 0.737 1.00 0.00 O ATOM 711 ND2 ASN A 48 12.353 6.843 -0.489 1.00 0.00 N ATOM 0 H ASN A 48 8.017 5.216 -1.424 1.00 0.00 H new ATOM 0 HA ASN A 48 8.282 7.326 0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.845 5.538 0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.319 5.657 -1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.178 7.408 -0.289 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.432 6.016 -1.081 1.00 0.00 H new ATOM 718 N ASP A 49 9.440 7.986 -2.772 1.00 0.00 N ATOM 719 CA ASP A 49 9.822 9.050 -3.685 1.00 0.00 C ATOM 720 C ASP A 49 8.690 10.076 -3.767 1.00 0.00 C ATOM 721 O ASP A 49 8.942 11.276 -3.866 1.00 0.00 O ATOM 722 CB ASP A 49 10.069 8.505 -5.093 1.00 0.00 C ATOM 723 CG ASP A 49 11.025 9.337 -5.950 1.00 0.00 C ATOM 724 OD1 ASP A 49 12.154 9.575 -5.472 1.00 0.00 O ATOM 725 OD2 ASP A 49 10.604 9.716 -7.065 1.00 0.00 O ATOM 0 H ASP A 49 9.430 7.053 -3.184 1.00 0.00 H new ATOM 0 HA ASP A 49 10.738 9.505 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.466 7.493 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.113 8.431 -5.610 1.00 0.00 H new ATOM 730 N LEU A 50 7.468 9.567 -3.723 1.00 0.00 N ATOM 731 CA LEU A 50 6.297 10.425 -3.792 1.00 0.00 C ATOM 732 C LEU A 50 6.092 11.110 -2.439 1.00 0.00 C ATOM 733 O LEU A 50 5.636 12.251 -2.380 1.00 0.00 O ATOM 734 CB LEU A 50 5.079 9.631 -4.269 1.00 0.00 C ATOM 735 CG LEU A 50 4.758 9.730 -5.762 1.00 0.00 C ATOM 736 CD1 LEU A 50 3.874 8.564 -6.211 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.135 11.085 -6.101 1.00 0.00 C ATOM 0 H LEU A 50 7.263 8.571 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 50 6.445 11.213 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.234 8.581 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.208 9.967 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 50 5.693 9.658 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.661 8.658 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.392 7.623 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.939 8.580 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.917 11.128 -7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.211 11.212 -5.536 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.832 11.881 -5.840 1.00 0.00 H new ATOM 749 N VAL A 51 6.439 10.385 -1.386 1.00 0.00 N ATOM 750 CA VAL A 51 6.299 10.909 -0.038 1.00 0.00 C ATOM 751 C VAL A 51 7.322 12.025 0.180 1.00 0.00 C ATOM 752 O VAL A 51 7.121 12.902 1.019 1.00 0.00 O ATOM 753 CB VAL A 51 6.428 9.774 0.981 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.485 10.322 2.408 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.288 8.766 0.825 1.00 0.00 C ATOM 0 H VAL A 51 6.817 9.439 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 51 5.309 11.343 0.101 1.00 0.00 H new ATOM 0 HB VAL A 51 7.365 9.253 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.577 9.495 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.346 10.982 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.573 10.880 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.403 7.970 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.334 9.269 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.314 8.340 -0.178 1.00 0.00 H new ATOM 765 N LYS A 52 8.398 11.958 -0.591 1.00 0.00 N ATOM 766 CA LYS A 52 9.452 12.952 -0.494 1.00 0.00 C ATOM 767 C LYS A 52 9.176 14.082 -1.487 1.00 0.00 C ATOM 768 O LYS A 52 9.455 15.246 -1.203 1.00 0.00 O ATOM 769 CB LYS A 52 10.824 12.298 -0.673 1.00 0.00 C ATOM 770 CG LYS A 52 11.169 11.412 0.525 1.00 0.00 C ATOM 771 CD LYS A 52 12.560 11.744 1.071 1.00 0.00 C ATOM 772 CE LYS A 52 12.635 11.482 2.576 1.00 0.00 C ATOM 773 NZ LYS A 52 13.914 11.984 3.126 1.00 0.00 N ATOM 0 H LYS A 52 8.562 11.230 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 52 9.464 13.397 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.830 11.701 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.586 13.069 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.425 11.549 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.131 10.364 0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.310 11.143 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.794 12.789 0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.800 11.970 3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.543 10.413 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.949 11.798 4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.707 11.499 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.986 13.008 2.957 1.00 0.00 H new ATOM 787 N LYS A 53 8.629 13.700 -2.632 1.00 0.00 N ATOM 788 CA LYS A 53 8.311 14.666 -3.670 1.00 0.00 C ATOM 789 C LYS A 53 7.210 15.602 -3.168 1.00 0.00 C ATOM 790 O LYS A 53 6.997 16.674 -3.733 1.00 0.00 O ATOM 791 CB LYS A 53 7.964 13.953 -4.978 1.00 0.00 C ATOM 792 CG LYS A 53 9.231 13.569 -5.746 1.00 0.00 C ATOM 793 CD LYS A 53 9.162 14.054 -7.195 1.00 0.00 C ATOM 794 CE LYS A 53 7.896 13.544 -7.885 1.00 0.00 C ATOM 795 NZ LYS A 53 7.414 14.529 -8.879 1.00 0.00 N ATOM 0 H LYS A 53 8.398 12.734 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 53 9.180 15.285 -3.894 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.379 13.059 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.342 14.601 -5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.103 14.001 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.358 12.487 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.179 15.144 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.041 13.709 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.101 12.593 -8.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.120 13.358 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.554 14.167 -9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.199 15.428 -8.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.150 14.686 -9.597 1.00 0.00 H new ATOM 809 N TYR A 54 6.539 15.163 -2.113 1.00 0.00 N ATOM 810 CA TYR A 54 5.465 15.948 -1.530 1.00 0.00 C ATOM 811 C TYR A 54 5.940 16.678 -0.271 1.00 0.00 C ATOM 812 O TYR A 54 7.040 16.427 0.218 1.00 0.00 O ATOM 813 CB TYR A 54 4.374 14.948 -1.143 1.00 0.00 C ATOM 814 CG TYR A 54 3.480 14.520 -2.309 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.030 14.304 -3.556 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.125 14.351 -2.114 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.189 13.901 -4.654 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.284 13.948 -3.211 1.00 0.00 C ATOM 819 CZ TYR A 54 1.858 13.743 -4.427 1.00 0.00 C ATOM 820 OH TYR A 54 1.064 13.363 -5.464 1.00 0.00 O ATOM 0 H TYR A 54 6.719 14.274 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 54 5.112 16.700 -2.236 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.843 14.062 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.752 15.388 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.091 14.437 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.695 14.521 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.606 13.728 -5.635 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.222 13.812 -3.072 1.00 0.00 H new ATOM 0 HH TYR A 54 1.582 12.814 -6.089 1.00 0.00 H new ATOM 830 N THR A 55 5.088 17.567 0.216 1.00 0.00 N ATOM 831 CA THR A 55 5.407 18.335 1.408 1.00 0.00 C ATOM 832 C THR A 55 4.868 17.632 2.655 1.00 0.00 C ATOM 833 O THR A 55 3.659 17.450 2.796 1.00 0.00 O ATOM 834 CB THR A 55 4.854 19.749 1.221 1.00 0.00 C ATOM 835 OG1 THR A 55 5.890 20.437 0.525 1.00 0.00 O ATOM 836 CG2 THR A 55 4.726 20.508 2.543 1.00 0.00 C ATOM 0 H THR A 55 4.177 17.773 -0.193 1.00 0.00 H new ATOM 0 HA THR A 55 6.485 18.409 1.555 1.00 0.00 H new ATOM 0 HB THR A 55 3.879 19.696 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.614 21.363 0.360 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.329 21.505 2.353 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.051 19.969 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.707 20.591 3.011 1.00 0.00 H new ATOM 844 N LEU A 56 5.790 17.256 3.529 1.00 0.00 N ATOM 845 CA LEU A 56 5.423 16.577 4.760 1.00 0.00 C ATOM 846 C LEU A 56 4.308 15.570 4.468 1.00 0.00 C ATOM 847 O LEU A 56 3.193 15.711 4.968 1.00 0.00 O ATOM 848 CB LEU A 56 5.065 17.594 5.846 1.00 0.00 C ATOM 849 CG LEU A 56 6.198 18.515 6.301 1.00 0.00 C ATOM 850 CD1 LEU A 56 7.535 17.772 6.323 1.00 0.00 C ATOM 851 CD2 LEU A 56 6.258 19.778 5.439 1.00 0.00 C ATOM 0 H LEU A 56 6.791 17.409 3.409 1.00 0.00 H new ATOM 0 HA LEU A 56 6.269 16.012 5.151 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.245 18.212 5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.693 17.052 6.715 1.00 0.00 H new ATOM 0 HG LEU A 56 5.990 18.832 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.323 18.450 6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.472 16.930 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.764 17.405 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.072 20.415 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.430 19.501 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.315 20.319 5.520 1.00 0.00 H new ATOM 863 N ALA A 57 4.649 14.576 3.662 1.00 0.00 N ATOM 864 CA ALA A 57 3.691 13.545 3.298 1.00 0.00 C ATOM 865 C ALA A 57 4.029 12.254 4.046 1.00 0.00 C ATOM 866 O ALA A 57 5.177 12.039 4.434 1.00 0.00 O ATOM 867 CB ALA A 57 3.695 13.357 1.780 1.00 0.00 C ATOM 0 H ALA A 57 5.575 14.462 3.250 1.00 0.00 H new ATOM 0 HA ALA A 57 2.682 13.839 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.977 12.584 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.420 14.294 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.691 13.058 1.453 1.00 0.00 H new ATOM 873 N ARG A 58 3.009 11.428 4.227 1.00 0.00 N ATOM 874 CA ARG A 58 3.184 10.164 4.921 1.00 0.00 C ATOM 875 C ARG A 58 2.047 9.202 4.567 1.00 0.00 C ATOM 876 O ARG A 58 0.874 9.538 4.724 1.00 0.00 O ATOM 877 CB ARG A 58 3.216 10.368 6.437 1.00 0.00 C ATOM 878 CG ARG A 58 4.576 9.973 7.015 1.00 0.00 C ATOM 879 CD ARG A 58 5.346 11.204 7.498 1.00 0.00 C ATOM 880 NE ARG A 58 6.358 10.806 8.502 1.00 0.00 N ATOM 881 CZ ARG A 58 6.901 11.646 9.394 1.00 0.00 C ATOM 882 NH1 ARG A 58 6.534 12.935 9.411 1.00 0.00 N ATOM 883 NH2 ARG A 58 7.813 11.197 10.267 1.00 0.00 N ATOM 0 H ARG A 58 2.058 11.610 3.905 1.00 0.00 H new ATOM 0 HA ARG A 58 4.136 9.740 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.007 11.412 6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.432 9.773 6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.435 9.280 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.159 9.449 6.257 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.832 11.693 6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.656 11.928 7.932 1.00 0.00 H new ATOM 0 HE ARG A 58 6.661 9.832 8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.841 13.277 8.745 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.947 13.574 10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.094 10.216 10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 58 8.227 11.836 10.946 1.00 0.00 H new ATOM 897 N ALA A 59 2.435 8.026 4.096 1.00 0.00 N ATOM 898 CA ALA A 59 1.464 7.014 3.719 1.00 0.00 C ATOM 899 C ALA A 59 1.610 5.803 4.643 1.00 0.00 C ATOM 900 O ALA A 59 2.717 5.467 5.061 1.00 0.00 O ATOM 901 CB ALA A 59 1.653 6.649 2.245 1.00 0.00 C ATOM 0 H ALA A 59 3.409 7.752 3.967 1.00 0.00 H new ATOM 0 HA ALA A 59 0.449 7.395 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.924 5.889 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.510 7.537 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.660 6.260 2.093 1.00 0.00 H new ATOM 907 N PHE A 60 0.477 5.182 4.934 1.00 0.00 N ATOM 908 CA PHE A 60 0.464 4.016 5.801 1.00 0.00 C ATOM 909 C PHE A 60 -0.631 3.033 5.383 1.00 0.00 C ATOM 910 O PHE A 60 -1.467 3.352 4.539 1.00 0.00 O ATOM 911 CB PHE A 60 0.172 4.515 7.218 1.00 0.00 C ATOM 912 CG PHE A 60 1.278 5.390 7.810 1.00 0.00 C ATOM 913 CD1 PHE A 60 2.538 4.895 7.945 1.00 0.00 C ATOM 914 CD2 PHE A 60 1.002 6.663 8.201 1.00 0.00 C ATOM 915 CE1 PHE A 60 3.565 5.707 8.495 1.00 0.00 C ATOM 916 CE2 PHE A 60 2.029 7.475 8.751 1.00 0.00 C ATOM 917 CZ PHE A 60 3.289 6.980 8.886 1.00 0.00 C ATOM 0 H PHE A 60 -0.439 5.464 4.585 1.00 0.00 H new ATOM 0 HA PHE A 60 1.421 3.498 5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.759 5.082 7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.015 3.655 7.870 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.757 3.884 7.634 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.002 7.056 8.093 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.565 5.314 8.603 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.810 8.486 9.062 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.070 7.598 9.304 1.00 0.00 H new ATOM 927 N VAL A 61 -0.592 1.858 5.993 1.00 0.00 N ATOM 928 CA VAL A 61 -1.571 0.826 5.695 1.00 0.00 C ATOM 929 C VAL A 61 -1.859 0.020 6.963 1.00 0.00 C ATOM 930 O VAL A 61 -0.996 -0.108 7.831 1.00 0.00 O ATOM 931 CB VAL A 61 -1.080 -0.041 4.534 1.00 0.00 C ATOM 932 CG1 VAL A 61 -1.184 0.712 3.206 1.00 0.00 C ATOM 933 CG2 VAL A 61 0.350 -0.527 4.779 1.00 0.00 C ATOM 0 H VAL A 61 0.103 1.597 6.693 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.512 1.273 5.374 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.725 -0.917 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.829 0.074 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.223 0.985 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.574 1.614 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.675 -1.141 3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.014 0.332 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.382 -1.118 5.694 1.00 0.00 H new ATOM 943 N ARG A 62 -3.074 -0.503 7.031 1.00 0.00 N ATOM 944 CA ARG A 62 -3.486 -1.293 8.178 1.00 0.00 C ATOM 945 C ARG A 62 -4.550 -2.313 7.766 1.00 0.00 C ATOM 946 O ARG A 62 -5.654 -1.940 7.374 1.00 0.00 O ATOM 947 CB ARG A 62 -4.048 -0.401 9.288 1.00 0.00 C ATOM 948 CG ARG A 62 -2.925 0.160 10.162 1.00 0.00 C ATOM 949 CD ARG A 62 -3.465 0.632 11.513 1.00 0.00 C ATOM 950 NE ARG A 62 -2.343 0.983 12.413 1.00 0.00 N ATOM 951 CZ ARG A 62 -2.453 1.806 13.464 1.00 0.00 C ATOM 952 NH1 ARG A 62 -3.633 2.370 13.754 1.00 0.00 N ATOM 953 NH2 ARG A 62 -1.381 2.067 14.225 1.00 0.00 N ATOM 0 H ARG A 62 -3.787 -0.395 6.310 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.606 -1.813 8.555 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.615 0.419 8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.741 -0.974 9.904 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.164 -0.605 10.318 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.441 0.991 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.113 1.497 11.373 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.073 -0.152 11.965 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.429 0.572 12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.449 2.173 13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.716 2.997 14.555 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.482 1.639 14.004 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.464 2.694 15.025 1.00 0.00 H new ATOM 967 N PRO A 63 -4.169 -3.614 7.871 1.00 0.00 N ATOM 968 CA PRO A 63 -5.077 -4.691 7.513 1.00 0.00 C ATOM 969 C PRO A 63 -6.149 -4.883 8.587 1.00 0.00 C ATOM 970 O PRO A 63 -6.365 -4.002 9.418 1.00 0.00 O ATOM 971 CB PRO A 63 -4.189 -5.912 7.336 1.00 0.00 C ATOM 972 CG PRO A 63 -2.886 -5.587 8.050 1.00 0.00 C ATOM 973 CD PRO A 63 -2.868 -4.093 8.330 1.00 0.00 C ATOM 0 HA PRO A 63 -5.635 -4.485 6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.657 -6.800 7.761 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.015 -6.118 6.280 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.809 -6.151 8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.032 -5.870 7.434 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.723 -3.891 9.391 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.054 -3.600 7.798 1.00 0.00 H new ATOM 981 N SER A 64 -6.794 -6.039 8.535 1.00 0.00 N ATOM 982 CA SER A 64 -7.839 -6.358 9.493 1.00 0.00 C ATOM 983 C SER A 64 -8.680 -5.113 9.782 1.00 0.00 C ATOM 984 O SER A 64 -8.378 -4.355 10.703 1.00 0.00 O ATOM 985 CB SER A 64 -7.247 -6.912 10.790 1.00 0.00 C ATOM 986 OG SER A 64 -8.251 -7.173 11.767 1.00 0.00 O ATOM 0 H SER A 64 -6.613 -6.767 7.844 1.00 0.00 H new ATOM 0 HA SER A 64 -8.477 -7.128 9.060 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.702 -7.831 10.576 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.526 -6.200 11.192 1.00 0.00 H new ATOM 0 HG SER A 64 -7.833 -7.527 12.580 1.00 0.00 H new ATOM 992 N GLY A 65 -9.719 -4.940 8.979 1.00 0.00 N ATOM 993 CA GLY A 65 -10.607 -3.800 9.138 1.00 0.00 C ATOM 994 C GLY A 65 -12.029 -4.255 9.470 1.00 0.00 C ATOM 995 O GLY A 65 -12.288 -4.742 10.570 1.00 0.00 O ATOM 0 H GLY A 65 -9.966 -5.570 8.216 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.234 -3.152 9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.615 -3.210 8.222 1.00 0.00 H new ATOM 999 N THR A 66 -12.914 -4.079 8.500 1.00 0.00 N ATOM 1000 CA THR A 66 -14.304 -4.465 8.676 1.00 0.00 C ATOM 1001 C THR A 66 -14.459 -5.981 8.532 1.00 0.00 C ATOM 1002 O THR A 66 -15.039 -6.634 9.398 1.00 0.00 O ATOM 1003 CB THR A 66 -15.146 -3.671 7.675 1.00 0.00 C ATOM 1004 OG1 THR A 66 -15.525 -2.500 8.394 1.00 0.00 O ATOM 1005 CG2 THR A 66 -16.474 -4.357 7.352 1.00 0.00 C ATOM 0 H THR A 66 -12.696 -3.674 7.590 1.00 0.00 H new ATOM 0 HA THR A 66 -14.656 -4.227 9.680 1.00 0.00 H new ATOM 0 HB THR A 66 -14.579 -3.529 6.755 1.00 0.00 H new ATOM 0 HG1 THR A 66 -16.073 -1.926 7.819 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.032 -3.752 6.637 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.281 -5.340 6.922 1.00 0.00 H new ATOM 0 HG23 THR A 66 -17.057 -4.469 8.266 1.00 0.00 H new ATOM 1013 N GLU A 67 -13.929 -6.496 7.432 1.00 0.00 N ATOM 1014 CA GLU A 67 -14.002 -7.922 7.163 1.00 0.00 C ATOM 1015 C GLU A 67 -12.632 -8.451 6.734 1.00 0.00 C ATOM 1016 O GLU A 67 -12.134 -9.425 7.298 1.00 0.00 O ATOM 1017 CB GLU A 67 -15.064 -8.227 6.105 1.00 0.00 C ATOM 1018 CG GLU A 67 -14.765 -7.488 4.799 1.00 0.00 C ATOM 1019 CD GLU A 67 -15.997 -7.457 3.893 1.00 0.00 C ATOM 1020 OE1 GLU A 67 -16.414 -8.555 3.465 1.00 0.00 O ATOM 1021 OE2 GLU A 67 -16.494 -6.337 3.648 1.00 0.00 O ATOM 0 H GLU A 67 -13.447 -5.951 6.717 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.295 -8.431 8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.100 -9.301 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.046 -7.935 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.445 -6.469 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.940 -7.977 4.281 1.00 0.00 H new ATOM 1028 N ASP A 68 -12.061 -7.787 5.740 1.00 0.00 N ATOM 1029 CA ASP A 68 -10.758 -8.178 5.229 1.00 0.00 C ATOM 1030 C ASP A 68 -10.301 -7.163 4.181 1.00 0.00 C ATOM 1031 O ASP A 68 -9.669 -7.529 3.191 1.00 0.00 O ATOM 1032 CB ASP A 68 -10.819 -9.553 4.561 1.00 0.00 C ATOM 1033 CG ASP A 68 -9.686 -10.508 4.942 1.00 0.00 C ATOM 1034 OD1 ASP A 68 -8.690 -10.009 5.510 1.00 0.00 O ATOM 1035 OD2 ASP A 68 -9.841 -11.715 4.657 1.00 0.00 O ATOM 0 H ASP A 68 -12.477 -6.980 5.275 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.063 -8.215 6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.770 -10.022 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.810 -9.416 3.480 1.00 0.00 H new ATOM 1040 N ILE A 69 -10.637 -5.907 4.433 1.00 0.00 N ATOM 1041 CA ILE A 69 -10.269 -4.835 3.523 1.00 0.00 C ATOM 1042 C ILE A 69 -8.966 -4.191 4.001 1.00 0.00 C ATOM 1043 O ILE A 69 -8.717 -4.104 5.203 1.00 0.00 O ATOM 1044 CB ILE A 69 -11.424 -3.845 3.366 1.00 0.00 C ATOM 1045 CG1 ILE A 69 -12.742 -4.576 3.105 1.00 0.00 C ATOM 1046 CG2 ILE A 69 -11.116 -2.812 2.279 1.00 0.00 C ATOM 1047 CD1 ILE A 69 -13.939 -3.675 3.414 1.00 0.00 C ATOM 0 H ILE A 69 -11.161 -5.607 5.255 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.082 -5.230 2.525 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.538 -3.302 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.784 -4.898 2.064 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.791 -5.475 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.953 -2.120 2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -10.216 -2.259 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.960 -3.321 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -14.863 -4.219 3.220 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.908 -3.375 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -13.900 -2.788 2.781 1.00 0.00 H new ATOM 1059 N VAL A 70 -8.169 -3.756 3.036 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.898 -3.122 3.344 1.00 0.00 C ATOM 1061 C VAL A 70 -7.112 -1.617 3.515 1.00 0.00 C ATOM 1062 O VAL A 70 -7.138 -0.875 2.534 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.869 -3.461 2.264 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.629 -2.574 2.390 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.491 -4.943 2.313 1.00 0.00 C ATOM 0 H VAL A 70 -8.379 -3.830 2.041 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.499 -3.502 4.284 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.324 -3.263 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.914 -2.836 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.917 -1.528 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.171 -2.725 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.758 -5.158 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.064 -5.178 3.288 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.381 -5.551 2.151 1.00 0.00 H new ATOM 1075 N ARG A 71 -7.260 -1.211 4.767 1.00 0.00 N ATOM 1076 CA ARG A 71 -7.471 0.193 5.079 1.00 0.00 C ATOM 1077 C ARG A 71 -6.264 1.022 4.637 1.00 0.00 C ATOM 1078 O ARG A 71 -5.217 0.993 5.282 1.00 0.00 O ATOM 1079 CB ARG A 71 -7.700 0.396 6.578 1.00 0.00 C ATOM 1080 CG ARG A 71 -9.180 0.638 6.879 1.00 0.00 C ATOM 1081 CD ARG A 71 -9.806 -0.577 7.565 1.00 0.00 C ATOM 1082 NE ARG A 71 -11.168 -0.244 8.041 1.00 0.00 N ATOM 1083 CZ ARG A 71 -11.425 0.427 9.172 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -10.416 0.841 9.950 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -12.692 0.684 9.524 1.00 0.00 N ATOM 0 H ARG A 71 -7.238 -1.829 5.578 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.359 0.523 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.353 -0.481 7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.111 1.244 6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.286 1.515 7.517 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.713 0.852 5.952 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.850 -1.415 6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.185 -0.891 8.404 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.960 -0.544 7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.452 0.645 9.681 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.612 1.352 10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.460 0.369 8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.889 1.195 10.385 1.00 0.00 H new ATOM 1099 N VAL A 72 -6.449 1.741 3.540 1.00 0.00 N ATOM 1100 CA VAL A 72 -5.388 2.577 3.004 1.00 0.00 C ATOM 1101 C VAL A 72 -5.417 3.939 3.700 1.00 0.00 C ATOM 1102 O VAL A 72 -6.473 4.560 3.812 1.00 0.00 O ATOM 1103 CB VAL A 72 -5.520 2.679 1.483 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.780 3.908 0.951 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -5.023 1.402 0.803 1.00 0.00 C ATOM 0 H VAL A 72 -7.318 1.762 3.007 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.413 2.132 3.203 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.577 2.795 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.889 3.958 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.200 4.808 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.723 3.835 1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.128 1.501 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.974 1.241 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.612 0.553 1.149 1.00 0.00 H new ATOM 1115 N TYR A 73 -4.245 4.364 4.149 1.00 0.00 N ATOM 1116 CA TYR A 73 -4.123 5.641 4.831 1.00 0.00 C ATOM 1117 C TYR A 73 -2.977 6.468 4.246 1.00 0.00 C ATOM 1118 O TYR A 73 -1.975 5.914 3.794 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.805 5.311 6.291 1.00 0.00 C ATOM 1120 CG TYR A 73 -4.500 6.227 7.301 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.874 6.197 7.428 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -3.753 7.082 8.085 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -6.528 7.059 8.379 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -4.406 7.943 9.036 1.00 0.00 C ATOM 1125 CZ TYR A 73 -5.762 7.889 9.136 1.00 0.00 C ATOM 1126 OH TYR A 73 -6.379 8.703 10.034 1.00 0.00 O ATOM 0 H TYR A 73 -3.371 3.846 4.054 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.039 6.222 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.095 4.280 6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.727 5.374 6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.459 5.527 6.815 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.678 7.105 7.985 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.602 7.046 8.488 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.833 8.616 9.656 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.707 9.239 10.505 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.161 7.779 4.273 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.154 8.688 3.751 1.00 0.00 C ATOM 1138 C ALA A 74 -2.546 10.127 4.091 1.00 0.00 C ATOM 1139 O ALA A 74 -3.721 10.487 4.023 1.00 0.00 O ATOM 1140 CB ALA A 74 -1.999 8.466 2.245 1.00 0.00 C ATOM 0 H ALA A 74 -3.993 8.235 4.648 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.185 8.493 4.211 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.244 9.147 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.691 7.437 2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.951 8.655 1.749 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.541 10.911 4.450 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.766 12.303 4.801 1.00 0.00 C ATOM 1148 C GLU A 75 -0.681 13.188 4.184 1.00 0.00 C ATOM 1149 O GLU A 75 0.197 12.698 3.476 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.822 12.483 6.319 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.479 12.136 6.963 1.00 0.00 C ATOM 1152 CD GLU A 75 0.098 13.340 7.712 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.371 13.582 8.845 1.00 0.00 O ATOM 1154 OE2 GLU A 75 0.995 13.991 7.133 1.00 0.00 O ATOM 0 H GLU A 75 -0.568 10.609 4.506 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.731 12.608 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.088 13.513 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.604 11.848 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.607 11.302 7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.223 11.810 6.195 1.00 0.00 H new ATOM 1161 N ALA A 76 -0.777 14.477 4.476 1.00 0.00 N ATOM 1162 CA ALA A 76 0.186 15.435 3.959 1.00 0.00 C ATOM 1163 C ALA A 76 -0.083 16.807 4.580 1.00 0.00 C ATOM 1164 O ALA A 76 -1.085 16.996 5.267 1.00 0.00 O ATOM 1165 CB ALA A 76 0.109 15.462 2.431 1.00 0.00 C ATOM 0 H ALA A 76 -1.507 14.880 5.064 1.00 0.00 H new ATOM 0 HA ALA A 76 1.201 15.143 4.230 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.831 16.180 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.336 14.471 2.038 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.895 15.754 2.122 1.00 0.00 H new ATOM 1171 N ASN A 77 0.831 17.730 4.316 1.00 0.00 N ATOM 1172 CA ASN A 77 0.705 19.079 4.840 1.00 0.00 C ATOM 1173 C ASN A 77 -0.513 19.756 4.209 1.00 0.00 C ATOM 1174 O ASN A 77 -1.098 20.664 4.797 1.00 0.00 O ATOM 1175 CB ASN A 77 1.939 19.918 4.503 1.00 0.00 C ATOM 1176 CG ASN A 77 1.721 21.387 4.872 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.836 22.056 4.364 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.574 21.849 5.781 1.00 0.00 N ATOM 0 H ASN A 77 1.662 17.570 3.746 1.00 0.00 H new ATOM 0 HA ASN A 77 0.599 19.011 5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.805 19.529 5.039 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.160 19.836 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.511 22.818 6.094 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.292 21.235 6.166 1.00 0.00 H new ATOM 1185 N SER A 78 -0.861 19.287 3.019 1.00 0.00 N ATOM 1186 CA SER A 78 -1.999 19.835 2.302 1.00 0.00 C ATOM 1187 C SER A 78 -2.988 18.720 1.958 1.00 0.00 C ATOM 1188 O SER A 78 -2.591 17.572 1.762 1.00 0.00 O ATOM 1189 CB SER A 78 -1.552 20.559 1.030 1.00 0.00 C ATOM 1190 OG SER A 78 -0.410 21.381 1.257 1.00 0.00 O ATOM 0 H SER A 78 -0.374 18.533 2.534 1.00 0.00 H new ATOM 0 HA SER A 78 -2.492 20.562 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.323 19.826 0.257 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.371 21.172 0.655 1.00 0.00 H new ATOM 0 HG SER A 78 -0.155 21.824 0.421 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.257 19.096 1.896 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.306 18.141 1.580 1.00 0.00 C ATOM 1198 C GLN A 79 -5.160 17.652 0.138 1.00 0.00 C ATOM 1199 O GLN A 79 -5.336 16.466 -0.140 1.00 0.00 O ATOM 1200 CB GLN A 79 -6.690 18.749 1.815 1.00 0.00 C ATOM 1201 CG GLN A 79 -7.734 17.658 2.059 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.120 18.265 2.285 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -9.412 19.379 1.880 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -9.955 17.474 2.952 1.00 0.00 N ATOM 0 H GLN A 79 -4.583 20.049 2.059 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.204 17.284 2.246 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.655 19.422 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.980 19.348 0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.764 16.981 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.448 17.063 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.646 16.553 3.262 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.904 17.788 3.153 1.00 0.00 H new ATOM 1213 N GLU A 80 -4.841 18.589 -0.742 1.00 0.00 N ATOM 1214 CA GLU A 80 -4.669 18.268 -2.149 1.00 0.00 C ATOM 1215 C GLU A 80 -3.687 17.106 -2.313 1.00 0.00 C ATOM 1216 O GLU A 80 -3.907 16.212 -3.128 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.206 19.493 -2.939 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.111 19.741 -4.147 1.00 0.00 C ATOM 1219 CD GLU A 80 -4.355 20.475 -5.257 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -3.442 19.845 -5.833 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -4.708 21.648 -5.505 1.00 0.00 O ATOM 0 H GLU A 80 -4.697 19.571 -0.508 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.634 17.961 -2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.209 20.370 -2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.179 19.347 -3.273 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.487 18.790 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.977 20.328 -3.842 1.00 0.00 H new ATOM 1228 N SER A 81 -2.624 17.157 -1.524 1.00 0.00 N ATOM 1229 CA SER A 81 -1.607 16.120 -1.571 1.00 0.00 C ATOM 1230 C SER A 81 -2.070 14.896 -0.778 1.00 0.00 C ATOM 1231 O SER A 81 -2.021 13.773 -1.278 1.00 0.00 O ATOM 1232 CB SER A 81 -0.273 16.632 -1.025 1.00 0.00 C ATOM 1233 OG SER A 81 -0.241 18.054 -0.939 1.00 0.00 O ATOM 0 H SER A 81 -2.445 17.900 -0.849 1.00 0.00 H new ATOM 0 HA SER A 81 -1.457 15.835 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.098 16.205 -0.037 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.537 16.290 -1.669 1.00 0.00 H new ATOM 0 HG SER A 81 0.626 18.341 -0.584 1.00 0.00 H new ATOM 1239 N ALA A 82 -2.510 15.155 0.445 1.00 0.00 N ATOM 1240 CA ALA A 82 -2.981 14.088 1.312 1.00 0.00 C ATOM 1241 C ALA A 82 -3.936 13.185 0.528 1.00 0.00 C ATOM 1242 O ALA A 82 -3.669 11.997 0.353 1.00 0.00 O ATOM 1243 CB ALA A 82 -3.638 14.693 2.554 1.00 0.00 C ATOM 0 H ALA A 82 -2.550 16.088 0.856 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.148 13.472 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.992 13.893 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.910 15.302 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.481 15.315 2.253 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.030 13.783 0.079 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.026 13.047 -0.682 1.00 0.00 C ATOM 1251 C ASP A 83 -5.349 12.362 -1.871 1.00 0.00 C ATOM 1252 O ASP A 83 -5.540 11.168 -2.095 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.105 13.984 -1.227 1.00 0.00 C ATOM 1254 CG ASP A 83 -8.542 13.573 -0.902 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -9.032 12.641 -1.576 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -9.119 14.200 0.012 1.00 0.00 O ATOM 0 H ASP A 83 -5.249 14.768 0.227 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.486 12.316 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.931 14.984 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.997 14.047 -2.310 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.573 13.148 -2.603 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.867 12.632 -3.763 1.00 0.00 C ATOM 1263 C ARG A 84 -3.088 11.369 -3.393 1.00 0.00 C ATOM 1264 O ARG A 84 -3.371 10.288 -3.907 1.00 0.00 O ATOM 1265 CB ARG A 84 -2.898 13.674 -4.326 1.00 0.00 C ATOM 1266 CG ARG A 84 -2.082 13.094 -5.484 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.066 14.052 -6.677 1.00 0.00 C ATOM 1268 NE ARG A 84 -1.633 13.334 -7.897 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.458 12.637 -8.690 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -3.763 12.559 -8.398 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -1.976 12.017 -9.777 1.00 0.00 N ATOM 0 H ARG A 84 -4.418 14.138 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.610 12.394 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.455 14.546 -4.669 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.227 14.015 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.061 12.902 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.505 12.136 -5.788 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.059 14.475 -6.827 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.392 14.885 -6.476 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.646 13.372 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.130 13.031 -7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.390 12.028 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.982 12.076 -9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.603 11.486 -10.381 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.123 11.546 -2.503 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.301 10.434 -2.058 1.00 0.00 C ATOM 1287 C LEU A 85 -2.205 9.262 -1.669 1.00 0.00 C ATOM 1288 O LEU A 85 -2.121 8.186 -2.259 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.356 10.879 -0.940 1.00 0.00 C ATOM 1290 CG LEU A 85 0.992 10.159 -0.875 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.879 10.547 -2.059 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.684 10.411 0.466 1.00 0.00 C ATOM 0 H LEU A 85 -1.892 12.444 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.658 10.088 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.170 11.947 -1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.865 10.743 0.014 1.00 0.00 H new ATOM 0 HG LEU A 85 0.810 9.087 -0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.831 10.021 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.382 10.275 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.057 11.622 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.640 9.888 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.853 11.480 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.053 10.045 1.276 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.048 9.510 -0.677 1.00 0.00 N ATOM 1305 CA ALA A 86 -3.966 8.489 -0.202 1.00 0.00 C ATOM 1306 C ALA A 86 -4.550 7.737 -1.400 1.00 0.00 C ATOM 1307 O ALA A 86 -4.249 6.562 -1.606 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.048 9.138 0.663 1.00 0.00 C ATOM 0 H ALA A 86 -3.114 10.403 -0.189 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.444 7.762 0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.737 8.372 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.584 9.634 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.596 9.871 0.071 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.373 8.446 -2.158 1.00 0.00 N ATOM 1315 CA TYR A 87 -6.002 7.860 -3.330 1.00 0.00 C ATOM 1316 C TYR A 87 -4.990 7.060 -4.153 1.00 0.00 C ATOM 1317 O TYR A 87 -5.143 5.852 -4.329 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.508 9.035 -4.169 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.579 8.744 -5.669 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -7.500 7.838 -6.154 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.721 9.388 -6.538 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -7.567 7.564 -7.566 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.788 9.114 -7.950 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.707 8.216 -8.394 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.770 7.957 -9.728 1.00 0.00 O ATOM 0 H TYR A 87 -5.619 9.420 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.802 7.180 -3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.500 9.319 -3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.855 9.892 -4.006 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -8.171 7.334 -5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.000 10.097 -6.159 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -8.283 6.857 -7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.123 9.611 -8.641 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.098 8.494 -10.198 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.978 7.766 -4.636 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.941 7.137 -5.436 1.00 0.00 C ATOM 1337 C GLU A 88 -2.466 5.845 -4.769 1.00 0.00 C ATOM 1338 O GLU A 88 -2.624 4.760 -5.326 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.772 8.096 -5.670 1.00 0.00 C ATOM 1340 CG GLU A 88 -2.149 9.186 -6.674 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.958 9.550 -7.563 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.224 8.610 -7.940 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.807 10.758 -7.844 1.00 0.00 O ATOM 0 H GLU A 88 -3.854 8.768 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.362 6.886 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.477 8.553 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.909 7.540 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.978 8.844 -7.293 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.494 10.072 -6.141 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.893 6.004 -3.584 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.394 4.864 -2.835 1.00 0.00 C ATOM 1352 C VAL A 89 -2.364 3.691 -2.993 1.00 0.00 C ATOM 1353 O VAL A 89 -1.970 2.610 -3.427 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.165 5.257 -1.374 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -0.990 4.018 -0.494 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.034 6.199 -1.241 1.00 0.00 C ATOM 0 H VAL A 89 -1.764 6.906 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.429 4.543 -3.227 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.050 5.791 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.829 4.325 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.886 3.400 -0.553 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.130 3.444 -0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.175 6.463 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.930 5.702 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.148 7.103 -1.822 1.00 0.00 H new ATOM 1366 N SER A 90 -3.613 3.945 -2.633 1.00 0.00 N ATOM 1367 CA SER A 90 -4.642 2.924 -2.729 1.00 0.00 C ATOM 1368 C SER A 90 -4.453 2.109 -4.010 1.00 0.00 C ATOM 1369 O SER A 90 -4.142 0.920 -3.954 1.00 0.00 O ATOM 1370 CB SER A 90 -6.040 3.546 -2.698 1.00 0.00 C ATOM 1371 OG SER A 90 -6.155 4.550 -1.694 1.00 0.00 O ATOM 0 H SER A 90 -3.936 4.844 -2.274 1.00 0.00 H new ATOM 0 HA SER A 90 -4.548 2.263 -1.868 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.265 3.980 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.780 2.766 -2.517 1.00 0.00 H new ATOM 0 HG SER A 90 -5.754 5.384 -2.018 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.647 2.781 -5.136 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.501 2.134 -6.428 1.00 0.00 C ATOM 1379 C LEU A 91 -3.192 1.342 -6.452 1.00 0.00 C ATOM 1380 O LEU A 91 -3.185 0.159 -6.789 1.00 0.00 O ATOM 1381 CB LEU A 91 -4.619 3.160 -7.557 1.00 0.00 C ATOM 1382 CG LEU A 91 -6.026 3.697 -7.831 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -6.552 4.491 -6.634 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -6.058 4.518 -9.122 1.00 0.00 C ATOM 0 H LEU A 91 -4.904 3.767 -5.179 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.309 1.421 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.969 4.003 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.239 2.708 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.694 2.848 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.553 4.861 -6.855 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.589 3.845 -5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.889 5.333 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.069 4.888 -9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.373 5.362 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.754 3.890 -9.960 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.117 2.026 -6.092 1.00 0.00 N ATOM 1397 CA LEU A 92 -0.805 1.401 -6.068 1.00 0.00 C ATOM 1398 C LEU A 92 -0.915 0.022 -5.414 1.00 0.00 C ATOM 1399 O LEU A 92 -0.237 -0.919 -5.825 1.00 0.00 O ATOM 1400 CB LEU A 92 0.215 2.321 -5.394 1.00 0.00 C ATOM 1401 CG LEU A 92 0.221 3.776 -5.868 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.602 4.408 -5.678 1.00 0.00 C ATOM 1403 CD2 LEU A 92 -0.264 3.883 -7.315 1.00 0.00 C ATOM 0 H LEU A 92 -2.127 3.007 -5.814 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.438 1.246 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.030 2.310 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.210 1.904 -5.551 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.479 4.340 -5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.580 5.442 -6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.871 4.383 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.340 3.850 -6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.250 4.927 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.392 3.302 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.280 3.496 -7.388 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.772 -0.055 -4.408 1.00 0.00 N ATOM 1416 CA VAL A 93 -1.979 -1.303 -3.694 1.00 0.00 C ATOM 1417 C VAL A 93 -2.765 -2.270 -4.582 1.00 0.00 C ATOM 1418 O VAL A 93 -2.388 -3.431 -4.727 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.664 -1.032 -2.353 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.449 -2.195 -1.382 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -2.179 0.286 -1.746 1.00 0.00 C ATOM 0 H VAL A 93 -2.332 0.727 -4.070 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.023 -1.775 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.735 -0.942 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.946 -1.977 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.866 -3.107 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.382 -2.331 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.681 0.455 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.102 0.238 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.407 1.106 -2.427 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.844 -1.754 -5.153 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.687 -2.556 -6.023 1.00 0.00 C ATOM 1433 C PHE A 94 -3.910 -3.033 -7.251 1.00 0.00 C ATOM 1434 O PHE A 94 -4.032 -4.187 -7.659 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.840 -1.661 -6.479 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.118 -2.424 -6.833 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.114 -3.321 -7.854 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.259 -2.204 -6.125 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.300 -4.029 -8.183 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.445 -2.913 -6.454 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.440 -3.810 -7.476 1.00 0.00 C ATOM 0 H PHE A 94 -4.154 -0.790 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.043 -3.436 -5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.064 -0.944 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.519 -1.087 -7.348 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.208 -3.495 -8.416 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -8.263 -1.491 -5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.296 -4.741 -8.995 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.351 -2.740 -5.892 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.342 -4.349 -7.726 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.128 -2.120 -7.808 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.331 -2.432 -8.982 1.00 0.00 C ATOM 1453 C GLN A 95 -1.186 -3.377 -8.611 1.00 0.00 C ATOM 1454 O GLN A 95 -0.938 -4.361 -9.306 1.00 0.00 O ATOM 1455 CB GLN A 95 -1.798 -1.157 -9.638 1.00 0.00 C ATOM 1456 CG GLN A 95 -0.443 -0.761 -9.048 1.00 0.00 C ATOM 1457 CD GLN A 95 0.098 0.504 -9.717 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.595 1.494 -9.885 1.00 0.00 O ATOM 1459 NE2 GLN A 95 1.372 0.417 -10.089 1.00 0.00 N ATOM 0 H GLN A 95 -3.029 -1.164 -7.468 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.971 -2.935 -9.707 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.700 -1.311 -10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.512 -0.345 -9.496 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.544 -0.595 -7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.267 -1.578 -9.178 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.896 -0.442 -9.919 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.825 1.209 -10.545 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.519 -3.045 -7.515 1.00 0.00 N ATOM 1469 CA LEU A 96 0.594 -3.852 -7.043 1.00 0.00 C ATOM 1470 C LEU A 96 0.063 -5.189 -6.522 1.00 0.00 C ATOM 1471 O LEU A 96 0.159 -6.207 -7.205 1.00 0.00 O ATOM 1472 CB LEU A 96 1.420 -3.076 -6.016 1.00 0.00 C ATOM 1473 CG LEU A 96 2.784 -3.672 -5.663 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.920 -2.809 -6.216 1.00 0.00 C ATOM 1475 CD2 LEU A 96 2.913 -3.891 -4.155 1.00 0.00 C ATOM 0 H LEU A 96 -0.728 -2.228 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 96 1.277 -4.077 -7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.574 -2.065 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.836 -2.989 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 96 2.862 -4.650 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.878 -3.255 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.836 -2.748 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.856 -1.807 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.892 -4.315 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.804 -2.937 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.135 -4.576 -3.819 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.485 -5.143 -5.317 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.030 -6.338 -4.696 1.00 0.00 C ATOM 1489 C ALA A 97 -1.808 -7.140 -5.741 1.00 0.00 C ATOM 1490 O ALA A 97 -1.349 -8.188 -6.192 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.899 -5.942 -3.501 1.00 0.00 C ATOM 0 H ALA A 97 -0.563 -4.296 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.229 -6.974 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.308 -6.839 -3.035 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.294 -5.400 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.716 -5.305 -3.840 1.00 0.00 H new ATOM 1497 N GLY A 98 -2.972 -6.616 -6.096 1.00 0.00 N ATOM 1498 CA GLY A 98 -3.819 -7.271 -7.080 1.00 0.00 C ATOM 1499 C GLY A 98 -5.283 -7.258 -6.638 1.00 0.00 C ATOM 1500 O GLY A 98 -5.906 -8.312 -6.512 1.00 0.00 O ATOM 0 H GLY A 98 -3.349 -5.746 -5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -3.721 -6.768 -8.042 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.488 -8.300 -7.223 1.00 0.00 H new ATOM 1504 N GLY A 99 -5.791 -6.055 -6.415 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.171 -5.892 -5.990 1.00 0.00 C ATOM 1506 C GLY A 99 -8.107 -6.776 -6.816 1.00 0.00 C ATOM 1507 O GLY A 99 -7.718 -7.290 -7.864 1.00 0.00 O ATOM 0 H GLY A 99 -5.272 -5.184 -6.521 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.263 -6.146 -4.934 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.466 -4.848 -6.093 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.323 -6.927 -6.312 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.318 -7.741 -6.990 1.00 0.00 C ATOM 1513 C ILE A 100 -11.681 -7.051 -6.903 1.00 0.00 C ATOM 1514 O ILE A 100 -12.021 -6.470 -5.873 1.00 0.00 O ATOM 1515 CB ILE A 100 -10.314 -9.166 -6.434 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -10.705 -9.179 -4.955 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -8.964 -9.845 -6.676 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -11.302 -10.530 -4.558 1.00 0.00 C ATOM 0 H ILE A 100 -9.642 -6.500 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.075 -7.836 -8.048 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.066 -9.744 -6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.829 -8.970 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.427 -8.386 -4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -8.988 -10.857 -6.271 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.765 -9.887 -7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.177 -9.275 -6.183 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -11.571 -10.513 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.192 -10.724 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.569 -11.317 -4.732 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.424 -7.138 -7.996 1.00 0.00 N ATOM 1531 CA GLY A 101 -13.742 -6.529 -8.056 1.00 0.00 C ATOM 1532 C GLY A 101 -13.645 -5.045 -8.414 1.00 0.00 C ATOM 1533 O GLY A 101 -12.790 -4.648 -9.204 1.00 0.00 O ATOM 0 H GLY A 101 -12.138 -7.621 -8.848 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -14.352 -7.046 -8.797 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.243 -6.643 -7.095 1.00 0.00 H new ATOM 1537 N GLU A 102 -14.533 -4.265 -7.816 1.00 0.00 N ATOM 1538 CA GLU A 102 -14.558 -2.833 -8.062 1.00 0.00 C ATOM 1539 C GLU A 102 -13.256 -2.189 -7.582 1.00 0.00 C ATOM 1540 O GLU A 102 -12.527 -2.775 -6.784 1.00 0.00 O ATOM 1541 CB GLU A 102 -15.770 -2.183 -7.393 1.00 0.00 C ATOM 1542 CG GLU A 102 -15.754 -2.418 -5.881 1.00 0.00 C ATOM 1543 CD GLU A 102 -16.682 -1.436 -5.164 1.00 0.00 C ATOM 1544 OE1 GLU A 102 -16.311 -0.243 -5.106 1.00 0.00 O ATOM 1545 OE2 GLU A 102 -17.741 -1.899 -4.689 1.00 0.00 O ATOM 0 H GLU A 102 -15.241 -4.598 -7.161 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.646 -2.670 -9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.772 -1.112 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.687 -2.591 -7.818 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.064 -3.440 -5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.738 -2.306 -5.503 1.00 0.00 H new ATOM 1552 N ARG A 103 -13.003 -0.991 -8.089 1.00 0.00 N ATOM 1553 CA ARG A 103 -11.801 -0.262 -7.723 1.00 0.00 C ATOM 1554 C ARG A 103 -12.164 1.131 -7.203 1.00 0.00 C ATOM 1555 O ARG A 103 -13.218 1.668 -7.540 1.00 0.00 O ATOM 1556 CB ARG A 103 -10.855 -0.123 -8.917 1.00 0.00 C ATOM 1557 CG ARG A 103 -10.450 -1.495 -9.458 1.00 0.00 C ATOM 1558 CD ARG A 103 -10.988 -1.706 -10.875 1.00 0.00 C ATOM 1559 NE ARG A 103 -10.135 -0.993 -11.852 1.00 0.00 N ATOM 1560 CZ ARG A 103 -10.444 0.192 -12.396 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -11.589 0.804 -12.062 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -9.609 0.765 -13.274 1.00 0.00 N ATOM 0 H ARG A 103 -13.610 -0.507 -8.750 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.296 -0.827 -6.939 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -11.340 0.454 -9.705 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -9.965 0.431 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -9.364 -1.583 -9.461 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.831 -2.276 -8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.012 -2.770 -11.109 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -12.013 -1.342 -10.941 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.257 -1.431 -12.129 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.224 0.368 -11.394 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -11.825 1.706 -12.476 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.738 0.299 -13.528 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.845 1.667 -13.688 1.00 0.00 H new ATOM 1576 N PRO A 104 -11.247 1.691 -6.370 1.00 0.00 N ATOM 1577 CA PRO A 104 -11.459 3.010 -5.800 1.00 0.00 C ATOM 1578 C PRO A 104 -11.226 4.103 -6.846 1.00 0.00 C ATOM 1579 O PRO A 104 -10.286 4.021 -7.635 1.00 0.00 O ATOM 1580 CB PRO A 104 -10.494 3.094 -4.629 1.00 0.00 C ATOM 1581 CG PRO A 104 -9.455 2.010 -4.867 1.00 0.00 C ATOM 1582 CD PRO A 104 -9.987 1.084 -5.948 1.00 0.00 C ATOM 0 HA PRO A 104 -12.485 3.163 -5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -10.027 4.078 -4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -11.013 2.937 -3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.507 2.451 -5.175 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.265 1.455 -3.948 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -9.288 1.004 -6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -10.142 0.076 -5.564 1.00 0.00 H new ATOM 1590 N GLN A 105 -12.098 5.100 -6.818 1.00 0.00 N ATOM 1591 CA GLN A 105 -11.999 6.207 -7.754 1.00 0.00 C ATOM 1592 C GLN A 105 -12.196 7.538 -7.025 1.00 0.00 C ATOM 1593 O GLN A 105 -12.889 7.597 -6.010 1.00 0.00 O ATOM 1594 CB GLN A 105 -13.006 6.052 -8.895 1.00 0.00 C ATOM 1595 CG GLN A 105 -12.594 4.923 -9.841 1.00 0.00 C ATOM 1596 CD GLN A 105 -13.556 4.823 -11.027 1.00 0.00 C ATOM 1597 OE1 GLN A 105 -14.239 5.768 -11.387 1.00 0.00 O ATOM 1598 NE2 GLN A 105 -13.570 3.629 -11.612 1.00 0.00 N ATOM 0 H GLN A 105 -12.876 5.164 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 105 -11.001 6.199 -8.191 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.995 5.846 -8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -13.079 6.987 -9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -11.581 5.099 -10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -12.579 3.977 -9.299 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.972 2.881 -11.259 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -14.178 3.461 -12.413 1.00 0.00 H new ATOM 1607 N PRO A 106 -11.559 8.600 -7.585 1.00 0.00 N ATOM 1608 CA PRO A 106 -11.657 9.926 -6.999 1.00 0.00 C ATOM 1609 C PRO A 106 -13.024 10.552 -7.285 1.00 0.00 C ATOM 1610 O PRO A 106 -13.798 10.024 -8.083 1.00 0.00 O ATOM 1611 CB PRO A 106 -10.506 10.711 -7.606 1.00 0.00 C ATOM 1612 CG PRO A 106 -10.090 9.945 -8.851 1.00 0.00 C ATOM 1613 CD PRO A 106 -10.730 8.568 -8.786 1.00 0.00 C ATOM 0 HA PRO A 106 -11.582 9.912 -5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -10.815 11.726 -7.857 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -9.677 10.794 -6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.411 10.473 -9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.005 9.860 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -11.328 8.367 -9.675 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -9.976 7.783 -8.726 1.00 0.00 H new ATOM 1621 N SER A 107 -13.280 11.667 -6.618 1.00 0.00 N ATOM 1622 CA SER A 107 -14.540 12.370 -6.790 1.00 0.00 C ATOM 1623 C SER A 107 -14.289 13.753 -7.395 1.00 0.00 C ATOM 1624 O SER A 107 -13.144 14.190 -7.500 1.00 0.00 O ATOM 1625 CB SER A 107 -15.285 12.500 -5.460 1.00 0.00 C ATOM 1626 OG SER A 107 -15.862 11.263 -5.049 1.00 0.00 O ATOM 0 H SER A 107 -12.636 12.102 -5.957 1.00 0.00 H new ATOM 0 HA SER A 107 -15.165 11.790 -7.470 1.00 0.00 H new ATOM 0 HB2 SER A 107 -14.597 12.852 -4.692 1.00 0.00 H new ATOM 0 HB3 SER A 107 -16.068 13.252 -5.555 1.00 0.00 H new ATOM 0 HG SER A 107 -16.327 11.387 -4.195 1.00 0.00 H new ATOM 1632 N GLY A 108 -15.379 14.403 -7.776 1.00 0.00 N ATOM 1633 CA GLY A 108 -15.291 15.728 -8.368 1.00 0.00 C ATOM 1634 C GLY A 108 -15.610 16.811 -7.336 1.00 0.00 C ATOM 1635 O GLY A 108 -16.202 16.528 -6.295 1.00 0.00 O ATOM 0 H GLY A 108 -16.327 14.038 -7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -14.290 15.886 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -15.985 15.803 -9.206 1.00 0.00 H new ATOM 1639 N PRO A 109 -15.193 18.062 -7.668 1.00 0.00 N ATOM 1640 CA PRO A 109 -15.428 19.189 -6.782 1.00 0.00 C ATOM 1641 C PRO A 109 -16.893 19.628 -6.830 1.00 0.00 C ATOM 1642 O PRO A 109 -17.569 19.660 -5.802 1.00 0.00 O ATOM 1643 CB PRO A 109 -14.469 20.269 -7.257 1.00 0.00 C ATOM 1644 CG PRO A 109 -14.068 19.878 -8.670 1.00 0.00 C ATOM 1645 CD PRO A 109 -14.489 18.435 -8.892 1.00 0.00 C ATOM 0 HA PRO A 109 -15.247 18.946 -5.735 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -14.946 21.249 -7.243 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -13.597 20.330 -6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -14.548 20.532 -9.398 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -12.992 19.987 -8.805 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -15.135 18.341 -9.765 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -13.625 17.792 -9.064 1.00 0.00 H new ATOM 1653 N SER A 110 -17.341 19.955 -8.033 1.00 0.00 N ATOM 1654 CA SER A 110 -18.714 20.390 -8.227 1.00 0.00 C ATOM 1655 C SER A 110 -18.961 21.697 -7.471 1.00 0.00 C ATOM 1656 O SER A 110 -19.515 21.687 -6.373 1.00 0.00 O ATOM 1657 CB SER A 110 -19.702 19.316 -7.769 1.00 0.00 C ATOM 1658 OG SER A 110 -20.438 18.768 -8.859 1.00 0.00 O ATOM 0 H SER A 110 -16.778 19.928 -8.883 1.00 0.00 H new ATOM 0 HA SER A 110 -18.872 20.559 -9.292 1.00 0.00 H new ATOM 0 HB2 SER A 110 -19.160 18.519 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 110 -20.394 19.745 -7.044 1.00 0.00 H new ATOM 0 HG SER A 110 -21.057 18.085 -8.526 1.00 0.00 H new ATOM 1664 N SER A 111 -18.537 22.790 -8.088 1.00 0.00 N ATOM 1665 CA SER A 111 -18.705 24.102 -7.486 1.00 0.00 C ATOM 1666 C SER A 111 -19.507 25.008 -8.422 1.00 0.00 C ATOM 1667 O SER A 111 -19.590 24.749 -9.622 1.00 0.00 O ATOM 1668 CB SER A 111 -17.351 24.738 -7.164 1.00 0.00 C ATOM 1669 OG SER A 111 -16.508 24.808 -8.310 1.00 0.00 O ATOM 0 H SER A 111 -18.077 22.794 -8.999 1.00 0.00 H new ATOM 0 HA SER A 111 -19.251 23.981 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 111 -17.507 25.741 -6.767 1.00 0.00 H new ATOM 0 HB3 SER A 111 -16.855 24.160 -6.384 1.00 0.00 H new ATOM 0 HG SER A 111 -15.654 25.221 -8.063 1.00 0.00 H new ATOM 1675 N GLY A 112 -20.079 26.051 -7.838 1.00 0.00 N ATOM 1676 CA GLY A 112 -20.872 26.996 -8.605 1.00 0.00 C ATOM 1677 C GLY A 112 -20.202 28.371 -8.641 1.00 0.00 C ATOM 1678 O GLY A 112 -20.421 29.197 -7.756 1.00 0.00 O ATOM 0 H GLY A 112 -20.009 26.262 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -21.004 26.625 -9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -21.866 27.083 -8.166 1.00 0.00 H new TER 1682 GLY A 112