USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 563 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 56 TYR OH : rot 180:sc= -0.073 USER MOD Set 1.2: A 60 SER OG : rot 132:sc= 0.0048 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0524 (180deg=0) USER MOD Single : A 2 SER OG : rot 32:sc= 0.187 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -37:sc= -0.0242 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-5!) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.083) USER MOD Single : A 40 ASN : amide:sc= 0.384 K(o=0.38,f=-1.5) USER MOD Single : A 41 HIS : no HE2:sc= -4.32! C(o=-4.3!,f=-4!) USER MOD Single : A 46 THR OG1 : rot 84:sc= 0.496 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 82:sc= 0.0588 USER MOD Single : A 61 ASN : amide:sc= -4.29! C(o=-4.3!,f=-3.2!) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0587) USER MOD Single : A 66 LYS NZ :NH3+ -124:sc= -0.143 (180deg=-0.696) USER MOD Single : A 67 GLN : amide:sc= -0.0186 K(o=-0.019,f=-0.76) USER MOD Single : A 68 TYR OH : rot 100:sc= -0.943 USER MOD Single : A 70 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.45) USER MOD Single : A 73 SER OG : rot 180:sc= -0.169 USER MOD Single : A 76 SER OG : rot 43:sc= 0.842 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.137 -8.543 22.568 1.00 0.00 N ATOM 2 CA GLY A 1 6.566 -7.365 21.941 1.00 0.00 C ATOM 3 C GLY A 1 6.428 -7.517 20.439 1.00 0.00 C ATOM 4 O GLY A 1 7.113 -8.335 19.826 1.00 0.00 O ATOM 0 H1 GLY A 1 6.421 -8.997 23.171 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.446 -9.212 21.834 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.954 -8.266 23.149 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.586 -7.165 22.374 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.193 -6.501 22.160 1.00 0.00 H new ATOM 8 N SER A 2 5.539 -6.727 19.846 1.00 0.00 N ATOM 9 CA SER A 2 5.309 -6.781 18.407 1.00 0.00 C ATOM 10 C SER A 2 4.838 -5.429 17.881 1.00 0.00 C ATOM 11 O SER A 2 3.848 -4.875 18.359 1.00 0.00 O ATOM 12 CB SER A 2 4.276 -7.859 18.074 1.00 0.00 C ATOM 13 OG SER A 2 3.070 -7.648 18.788 1.00 0.00 O ATOM 0 H SER A 2 4.966 -6.042 20.339 1.00 0.00 H new ATOM 0 HA SER A 2 6.253 -7.031 17.922 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.074 -7.855 17.003 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.680 -8.842 18.318 1.00 0.00 H new ATOM 0 HG SER A 2 2.932 -6.687 18.920 1.00 0.00 H new ATOM 19 N SER A 3 5.555 -4.902 16.893 1.00 0.00 N ATOM 20 CA SER A 3 5.214 -3.613 16.304 1.00 0.00 C ATOM 21 C SER A 3 5.535 -3.595 14.812 1.00 0.00 C ATOM 22 O SER A 3 6.534 -4.163 14.374 1.00 0.00 O ATOM 23 CB SER A 3 5.970 -2.488 17.013 1.00 0.00 C ATOM 24 OG SER A 3 5.870 -1.272 16.291 1.00 0.00 O ATOM 0 H SER A 3 6.376 -5.348 16.484 1.00 0.00 H new ATOM 0 HA SER A 3 4.143 -3.457 16.430 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.568 -2.352 18.017 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.019 -2.764 17.124 1.00 0.00 H new ATOM 0 HG SER A 3 6.360 -0.568 16.766 1.00 0.00 H new ATOM 30 N GLY A 4 4.678 -2.938 14.037 1.00 0.00 N ATOM 31 CA GLY A 4 4.886 -2.858 12.603 1.00 0.00 C ATOM 32 C GLY A 4 3.723 -3.428 11.815 1.00 0.00 C ATOM 33 O GLY A 4 2.667 -3.716 12.377 1.00 0.00 O ATOM 0 H GLY A 4 3.843 -2.460 14.376 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.038 -1.817 12.319 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.797 -3.396 12.341 1.00 0.00 H new ATOM 37 N SER A 5 3.917 -3.590 10.510 1.00 0.00 N ATOM 38 CA SER A 5 2.874 -4.124 9.643 1.00 0.00 C ATOM 39 C SER A 5 2.617 -5.597 9.946 1.00 0.00 C ATOM 40 O SER A 5 3.306 -6.203 10.765 1.00 0.00 O ATOM 41 CB SER A 5 3.266 -3.954 8.174 1.00 0.00 C ATOM 42 OG SER A 5 4.515 -4.567 7.905 1.00 0.00 O ATOM 0 H SER A 5 4.787 -3.359 10.030 1.00 0.00 H new ATOM 0 HA SER A 5 1.957 -3.567 9.833 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.498 -4.392 7.536 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.318 -2.893 7.929 1.00 0.00 H new ATOM 0 HG SER A 5 4.742 -4.446 6.959 1.00 0.00 H new ATOM 48 N SER A 6 1.619 -6.166 9.277 1.00 0.00 N ATOM 49 CA SER A 6 1.267 -7.567 9.477 1.00 0.00 C ATOM 50 C SER A 6 1.056 -8.270 8.139 1.00 0.00 C ATOM 51 O SER A 6 1.542 -9.380 7.926 1.00 0.00 O ATOM 52 CB SER A 6 0.002 -7.681 10.330 1.00 0.00 C ATOM 53 OG SER A 6 -0.002 -8.884 11.079 1.00 0.00 O ATOM 0 H SER A 6 1.041 -5.679 8.593 1.00 0.00 H new ATOM 0 HA SER A 6 2.093 -8.052 9.998 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.063 -6.828 11.006 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.878 -7.646 9.688 1.00 0.00 H new ATOM 0 HG SER A 6 -0.820 -8.932 11.617 1.00 0.00 H new ATOM 59 N GLY A 7 0.328 -7.614 7.241 1.00 0.00 N ATOM 60 CA GLY A 7 0.065 -8.191 5.935 1.00 0.00 C ATOM 61 C GLY A 7 -0.912 -7.364 5.123 1.00 0.00 C ATOM 62 O GLY A 7 -0.634 -7.012 3.976 1.00 0.00 O ATOM 0 H GLY A 7 -0.084 -6.694 7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.002 -8.283 5.386 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.332 -9.199 6.059 1.00 0.00 H new ATOM 66 N ASP A 8 -2.059 -7.055 5.716 1.00 0.00 N ATOM 67 CA ASP A 8 -3.081 -6.265 5.040 1.00 0.00 C ATOM 68 C ASP A 8 -2.454 -5.100 4.280 1.00 0.00 C ATOM 69 O ASP A 8 -1.348 -4.662 4.599 1.00 0.00 O ATOM 70 CB ASP A 8 -4.103 -5.741 6.050 1.00 0.00 C ATOM 71 CG ASP A 8 -4.668 -6.841 6.926 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.895 -7.432 7.710 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.883 -7.112 6.829 1.00 0.00 O ATOM 0 H ASP A 8 -2.305 -7.340 6.664 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.589 -6.911 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.633 -4.985 6.679 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.918 -5.251 5.517 1.00 0.00 H new ATOM 78 N TYR A 9 -3.166 -4.604 3.275 1.00 0.00 N ATOM 79 CA TYR A 9 -2.678 -3.492 2.468 1.00 0.00 C ATOM 80 C TYR A 9 -2.522 -2.232 3.314 1.00 0.00 C ATOM 81 O TYR A 9 -1.459 -1.611 3.333 1.00 0.00 O ATOM 82 CB TYR A 9 -3.632 -3.222 1.303 1.00 0.00 C ATOM 83 CG TYR A 9 -3.769 -4.389 0.351 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.671 -5.173 0.019 1.00 0.00 C ATOM 85 CD2 TYR A 9 -4.996 -4.706 -0.218 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.792 -6.240 -0.851 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.127 -5.771 -1.087 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.022 -6.535 -1.401 1.00 0.00 C ATOM 89 OH TYR A 9 -4.147 -7.596 -2.268 1.00 0.00 O ATOM 0 H TYR A 9 -4.083 -4.954 2.999 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.700 -3.766 2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.615 -2.970 1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.279 -2.352 0.750 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.707 -4.945 0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.863 -4.109 0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.928 -6.839 -1.099 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.089 -6.005 -1.518 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.078 -7.668 -2.564 1.00 0.00 H new ATOM 99 N TYR A 10 -3.589 -1.861 4.013 1.00 0.00 N ATOM 100 CA TYR A 10 -3.573 -0.675 4.861 1.00 0.00 C ATOM 101 C TYR A 10 -2.308 -0.631 5.713 1.00 0.00 C ATOM 102 O TYR A 10 -1.687 0.420 5.867 1.00 0.00 O ATOM 103 CB TYR A 10 -4.809 -0.648 5.761 1.00 0.00 C ATOM 104 CG TYR A 10 -6.072 -0.228 5.044 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.152 0.998 4.396 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.185 -1.059 5.012 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.304 1.386 3.740 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.341 -0.680 4.357 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.396 0.543 3.723 1.00 0.00 C ATOM 110 OH TYR A 10 -9.545 0.926 3.070 1.00 0.00 O ATOM 0 H TYR A 10 -4.476 -2.365 4.009 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.584 0.202 4.214 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.957 -1.639 6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.629 0.035 6.591 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.298 1.660 4.405 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.146 -2.018 5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.350 2.344 3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.197 -1.338 4.342 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.219 0.219 3.152 1.00 0.00 H new ATOM 120 N GLU A 11 -1.933 -1.781 6.264 1.00 0.00 N ATOM 121 CA GLU A 11 -0.743 -1.875 7.101 1.00 0.00 C ATOM 122 C GLU A 11 0.518 -1.600 6.286 1.00 0.00 C ATOM 123 O GLU A 11 1.293 -0.699 6.607 1.00 0.00 O ATOM 124 CB GLU A 11 -0.654 -3.259 7.747 1.00 0.00 C ATOM 125 CG GLU A 11 -1.876 -3.623 8.575 1.00 0.00 C ATOM 126 CD GLU A 11 -2.089 -2.684 9.746 1.00 0.00 C ATOM 127 OE1 GLU A 11 -1.085 -2.227 10.331 1.00 0.00 O ATOM 128 OE2 GLU A 11 -3.261 -2.405 10.076 1.00 0.00 O ATOM 0 H GLU A 11 -2.436 -2.660 6.146 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.821 -1.121 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.518 -4.007 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.230 -3.298 8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.760 -3.608 7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.768 -4.642 8.946 1.00 0.00 H new ATOM 135 N ILE A 12 0.716 -2.384 5.232 1.00 0.00 N ATOM 136 CA ILE A 12 1.882 -2.226 4.371 1.00 0.00 C ATOM 137 C ILE A 12 2.187 -0.752 4.125 1.00 0.00 C ATOM 138 O ILE A 12 3.349 -0.344 4.093 1.00 0.00 O ATOM 139 CB ILE A 12 1.681 -2.931 3.016 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.505 -4.436 3.221 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.858 -2.650 2.094 1.00 0.00 C ATOM 142 CD1 ILE A 12 1.033 -5.164 1.982 1.00 0.00 C ATOM 0 H ILE A 12 0.084 -3.135 4.953 1.00 0.00 H new ATOM 0 HA ILE A 12 2.723 -2.687 4.889 1.00 0.00 H new ATOM 0 HB ILE A 12 0.777 -2.539 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.454 -4.864 3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.789 -4.604 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.702 -3.155 1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.941 -1.576 1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.776 -3.018 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.930 -6.227 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.069 -4.763 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.759 -5.027 1.181 1.00 0.00 H new ATOM 154 N LEU A 13 1.137 0.043 3.952 1.00 0.00 N ATOM 155 CA LEU A 13 1.291 1.473 3.710 1.00 0.00 C ATOM 156 C LEU A 13 1.506 2.226 5.019 1.00 0.00 C ATOM 157 O LEU A 13 2.337 3.130 5.098 1.00 0.00 O ATOM 158 CB LEU A 13 0.061 2.024 2.987 1.00 0.00 C ATOM 159 CG LEU A 13 -0.322 1.321 1.684 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.725 1.723 1.254 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.685 1.640 0.590 1.00 0.00 C ATOM 0 H LEU A 13 0.169 -0.279 3.975 1.00 0.00 H new ATOM 0 HA LEU A 13 2.169 1.618 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.789 1.973 3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.233 3.078 2.771 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.311 0.245 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.981 1.213 0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.438 1.443 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.763 2.801 1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.396 1.131 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.707 2.716 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.675 1.302 0.897 1.00 0.00 H new ATOM 173 N GLY A 14 0.751 1.846 6.046 1.00 0.00 N ATOM 174 CA GLY A 14 0.876 2.494 7.338 1.00 0.00 C ATOM 175 C GLY A 14 -0.270 3.445 7.622 1.00 0.00 C ATOM 176 O GLY A 14 -0.057 4.560 8.099 1.00 0.00 O ATOM 0 H GLY A 14 0.055 1.101 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.917 1.735 8.119 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.817 3.042 7.377 1.00 0.00 H new ATOM 180 N VAL A 15 -1.489 3.006 7.326 1.00 0.00 N ATOM 181 CA VAL A 15 -2.673 3.827 7.552 1.00 0.00 C ATOM 182 C VAL A 15 -3.806 3.003 8.155 1.00 0.00 C ATOM 183 O VAL A 15 -3.694 1.786 8.296 1.00 0.00 O ATOM 184 CB VAL A 15 -3.164 4.475 6.244 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.056 5.301 5.609 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.668 3.412 5.279 1.00 0.00 C ATOM 0 H VAL A 15 -1.683 2.087 6.929 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.386 4.612 8.252 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.993 5.142 6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.421 5.751 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.747 6.087 6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.204 4.658 5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.011 3.888 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.860 2.718 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.494 2.868 5.736 1.00 0.00 H new ATOM 196 N SER A 16 -4.896 3.676 8.508 1.00 0.00 N ATOM 197 CA SER A 16 -6.049 3.007 9.099 1.00 0.00 C ATOM 198 C SER A 16 -6.956 2.429 8.017 1.00 0.00 C ATOM 199 O SER A 16 -6.797 2.729 6.834 1.00 0.00 O ATOM 200 CB SER A 16 -6.838 3.983 9.974 1.00 0.00 C ATOM 201 OG SER A 16 -6.274 4.077 11.271 1.00 0.00 O ATOM 0 H SER A 16 -5.005 4.684 8.395 1.00 0.00 H new ATOM 0 HA SER A 16 -5.684 2.188 9.718 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.849 4.968 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.874 3.654 10.048 1.00 0.00 H new ATOM 0 HG SER A 16 -6.796 4.708 11.810 1.00 0.00 H new ATOM 207 N ARG A 17 -7.907 1.599 8.432 1.00 0.00 N ATOM 208 CA ARG A 17 -8.838 0.977 7.499 1.00 0.00 C ATOM 209 C ARG A 17 -9.961 1.942 7.127 1.00 0.00 C ATOM 210 O ARG A 17 -10.906 2.135 7.891 1.00 0.00 O ATOM 211 CB ARG A 17 -9.428 -0.297 8.106 1.00 0.00 C ATOM 212 CG ARG A 17 -8.518 -1.508 7.981 1.00 0.00 C ATOM 213 CD ARG A 17 -8.984 -2.649 8.872 1.00 0.00 C ATOM 214 NE ARG A 17 -7.879 -3.516 9.273 1.00 0.00 N ATOM 215 CZ ARG A 17 -7.944 -4.365 10.293 1.00 0.00 C ATOM 216 NH1 ARG A 17 -9.055 -4.461 11.010 1.00 0.00 N ATOM 217 NH2 ARG A 17 -6.896 -5.121 10.596 1.00 0.00 N ATOM 0 H ARG A 17 -8.053 1.342 9.408 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.288 0.719 6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.643 -0.122 9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.378 -0.515 7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.494 -1.841 6.943 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.499 -1.228 8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.466 -2.241 9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.734 -3.238 8.344 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.010 -3.467 8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.863 -3.882 10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.102 -5.114 11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.040 -5.050 10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.947 -5.773 11.379 1.00 0.00 H new ATOM 231 N GLY A 18 -9.848 2.547 5.948 1.00 0.00 N ATOM 232 CA GLY A 18 -10.859 3.484 5.496 1.00 0.00 C ATOM 233 C GLY A 18 -10.280 4.845 5.162 1.00 0.00 C ATOM 234 O GLY A 18 -11.010 5.831 5.067 1.00 0.00 O ATOM 0 H GLY A 18 -9.074 2.405 5.299 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.358 3.079 4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.619 3.596 6.270 1.00 0.00 H new ATOM 238 N ALA A 19 -8.964 4.899 4.986 1.00 0.00 N ATOM 239 CA ALA A 19 -8.288 6.149 4.661 1.00 0.00 C ATOM 240 C ALA A 19 -8.675 6.637 3.269 1.00 0.00 C ATOM 241 O ALA A 19 -8.799 5.844 2.335 1.00 0.00 O ATOM 242 CB ALA A 19 -6.780 5.974 4.761 1.00 0.00 C ATOM 0 H ALA A 19 -8.345 4.092 5.063 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.604 6.903 5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.287 6.915 4.516 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.514 5.679 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.456 5.202 4.063 1.00 0.00 H new ATOM 248 N SER A 20 -8.865 7.946 3.137 1.00 0.00 N ATOM 249 CA SER A 20 -9.242 8.539 1.860 1.00 0.00 C ATOM 250 C SER A 20 -8.077 8.497 0.876 1.00 0.00 C ATOM 251 O SER A 20 -6.925 8.308 1.269 1.00 0.00 O ATOM 252 CB SER A 20 -9.704 9.983 2.061 1.00 0.00 C ATOM 253 OG SER A 20 -10.594 10.382 1.033 1.00 0.00 O ATOM 0 H SER A 20 -8.764 8.616 3.899 1.00 0.00 H new ATOM 0 HA SER A 20 -10.065 7.957 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.195 10.079 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.839 10.646 2.075 1.00 0.00 H new ATOM 0 HG SER A 20 -10.876 11.308 1.186 1.00 0.00 H new ATOM 259 N ASP A 21 -8.385 8.675 -0.404 1.00 0.00 N ATOM 260 CA ASP A 21 -7.364 8.660 -1.445 1.00 0.00 C ATOM 261 C ASP A 21 -6.156 9.496 -1.035 1.00 0.00 C ATOM 262 O ASP A 21 -5.015 9.051 -1.146 1.00 0.00 O ATOM 263 CB ASP A 21 -7.940 9.184 -2.761 1.00 0.00 C ATOM 264 CG ASP A 21 -8.942 8.228 -3.377 1.00 0.00 C ATOM 265 OD1 ASP A 21 -10.093 8.182 -2.894 1.00 0.00 O ATOM 266 OD2 ASP A 21 -8.576 7.526 -4.342 1.00 0.00 O ATOM 0 H ASP A 21 -9.333 8.831 -0.746 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.038 7.629 -1.585 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.421 10.146 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.127 9.358 -3.466 1.00 0.00 H new ATOM 271 N GLU A 22 -6.417 10.711 -0.561 1.00 0.00 N ATOM 272 CA GLU A 22 -5.350 11.610 -0.136 1.00 0.00 C ATOM 273 C GLU A 22 -4.398 10.907 0.827 1.00 0.00 C ATOM 274 O GLU A 22 -3.188 10.868 0.602 1.00 0.00 O ATOM 275 CB GLU A 22 -5.938 12.856 0.529 1.00 0.00 C ATOM 276 CG GLU A 22 -4.978 14.032 0.574 1.00 0.00 C ATOM 277 CD GLU A 22 -5.652 15.320 1.005 1.00 0.00 C ATOM 278 OE1 GLU A 22 -5.730 15.570 2.226 1.00 0.00 O ATOM 279 OE2 GLU A 22 -6.102 16.078 0.120 1.00 0.00 O ATOM 0 H GLU A 22 -7.357 11.095 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.788 11.910 -1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.839 13.153 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.241 12.606 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.163 13.805 1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.534 14.171 -0.412 1.00 0.00 H new ATOM 286 N ASP A 23 -4.952 10.354 1.900 1.00 0.00 N ATOM 287 CA ASP A 23 -4.154 9.652 2.897 1.00 0.00 C ATOM 288 C ASP A 23 -3.342 8.531 2.254 1.00 0.00 C ATOM 289 O ASP A 23 -2.115 8.503 2.353 1.00 0.00 O ATOM 290 CB ASP A 23 -5.055 9.081 3.994 1.00 0.00 C ATOM 291 CG ASP A 23 -5.641 10.161 4.882 1.00 0.00 C ATOM 292 OD1 ASP A 23 -4.870 11.019 5.360 1.00 0.00 O ATOM 293 OD2 ASP A 23 -6.871 10.148 5.098 1.00 0.00 O ATOM 0 H ASP A 23 -5.952 10.379 2.101 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.463 10.368 3.341 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.864 8.512 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.482 8.384 4.605 1.00 0.00 H new ATOM 298 N LEU A 24 -4.036 7.609 1.596 1.00 0.00 N ATOM 299 CA LEU A 24 -3.380 6.485 0.936 1.00 0.00 C ATOM 300 C LEU A 24 -2.225 6.964 0.062 1.00 0.00 C ATOM 301 O LEU A 24 -1.182 6.315 -0.018 1.00 0.00 O ATOM 302 CB LEU A 24 -4.388 5.707 0.088 1.00 0.00 C ATOM 303 CG LEU A 24 -5.614 5.170 0.827 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.806 5.078 -0.114 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.313 3.812 1.443 1.00 0.00 C ATOM 0 H LEU A 24 -5.052 7.617 1.505 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.979 5.827 1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.730 6.355 -0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.871 4.867 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.863 5.864 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.669 4.694 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.036 6.068 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.568 4.406 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.197 3.445 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.038 3.109 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.488 3.908 2.149 1.00 0.00 H new ATOM 317 N LYS A 25 -2.418 8.106 -0.590 1.00 0.00 N ATOM 318 CA LYS A 25 -1.392 8.676 -1.455 1.00 0.00 C ATOM 319 C LYS A 25 -0.194 9.149 -0.639 1.00 0.00 C ATOM 320 O LYS A 25 0.886 8.560 -0.703 1.00 0.00 O ATOM 321 CB LYS A 25 -1.967 9.842 -2.262 1.00 0.00 C ATOM 322 CG LYS A 25 -1.139 10.203 -3.483 1.00 0.00 C ATOM 323 CD LYS A 25 -1.561 11.541 -4.067 1.00 0.00 C ATOM 324 CE LYS A 25 -0.621 11.986 -5.177 1.00 0.00 C ATOM 325 NZ LYS A 25 0.524 12.778 -4.650 1.00 0.00 N ATOM 0 H LYS A 25 -3.276 8.655 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.057 7.898 -2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.978 9.589 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.046 10.716 -1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.084 10.240 -3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.246 9.425 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.576 11.465 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.578 12.294 -3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.244 11.111 -5.706 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.173 12.584 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.141 13.062 -5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.166 13.627 -4.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.066 12.199 -3.977 1.00 0.00 H new ATOM 339 N LYS A 26 -0.390 10.216 0.128 1.00 0.00 N ATOM 340 CA LYS A 26 0.673 10.768 0.959 1.00 0.00 C ATOM 341 C LYS A 26 1.462 9.656 1.642 1.00 0.00 C ATOM 342 O LYS A 26 2.683 9.577 1.509 1.00 0.00 O ATOM 343 CB LYS A 26 0.088 11.713 2.010 1.00 0.00 C ATOM 344 CG LYS A 26 -0.574 12.946 1.420 1.00 0.00 C ATOM 345 CD LYS A 26 -0.964 13.941 2.500 1.00 0.00 C ATOM 346 CE LYS A 26 -1.641 15.168 1.908 1.00 0.00 C ATOM 347 NZ LYS A 26 -0.653 16.123 1.334 1.00 0.00 N ATOM 0 H LYS A 26 -1.277 10.716 0.191 1.00 0.00 H new ATOM 0 HA LYS A 26 1.351 11.327 0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.644 11.169 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.883 12.027 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.106 13.422 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.461 12.651 0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.635 13.462 3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.076 14.246 3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.340 14.858 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.224 15.669 2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.153 16.946 0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.001 16.439 2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.113 15.653 0.579 1.00 0.00 H new ATOM 361 N ALA A 27 0.757 8.798 2.372 1.00 0.00 N ATOM 362 CA ALA A 27 1.391 7.689 3.072 1.00 0.00 C ATOM 363 C ALA A 27 2.194 6.819 2.111 1.00 0.00 C ATOM 364 O ALA A 27 3.363 6.521 2.357 1.00 0.00 O ATOM 365 CB ALA A 27 0.345 6.853 3.794 1.00 0.00 C ATOM 0 H ALA A 27 -0.254 8.850 2.494 1.00 0.00 H new ATOM 0 HA ALA A 27 2.080 8.104 3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.833 6.028 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.182 7.475 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.367 6.456 3.070 1.00 0.00 H new ATOM 371 N TYR A 28 1.560 6.416 1.015 1.00 0.00 N ATOM 372 CA TYR A 28 2.215 5.578 0.018 1.00 0.00 C ATOM 373 C TYR A 28 3.540 6.192 -0.424 1.00 0.00 C ATOM 374 O TYR A 28 4.588 5.549 -0.358 1.00 0.00 O ATOM 375 CB TYR A 28 1.302 5.382 -1.193 1.00 0.00 C ATOM 376 CG TYR A 28 1.962 4.645 -2.336 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.716 3.500 -2.108 1.00 0.00 C ATOM 378 CD2 TYR A 28 1.831 5.093 -3.645 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.321 2.824 -3.150 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.431 4.422 -4.693 1.00 0.00 C ATOM 381 CZ TYR A 28 3.176 3.289 -4.440 1.00 0.00 C ATOM 382 OH TYR A 28 3.776 2.618 -5.481 1.00 0.00 O ATOM 0 H TYR A 28 0.593 6.656 0.795 1.00 0.00 H new ATOM 0 HA TYR A 28 2.418 4.608 0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.413 4.832 -0.882 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.966 6.357 -1.546 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.831 3.132 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.250 5.981 -3.846 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.904 1.936 -2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.317 4.783 -5.705 1.00 0.00 H new ATOM 0 HH TYR A 28 4.649 2.279 -5.192 1.00 0.00 H new ATOM 392 N ARG A 29 3.484 7.441 -0.876 1.00 0.00 N ATOM 393 CA ARG A 29 4.679 8.143 -1.330 1.00 0.00 C ATOM 394 C ARG A 29 5.718 8.225 -0.215 1.00 0.00 C ATOM 395 O ARG A 29 6.842 7.747 -0.365 1.00 0.00 O ATOM 396 CB ARG A 29 4.317 9.550 -1.810 1.00 0.00 C ATOM 397 CG ARG A 29 3.588 9.570 -3.143 1.00 0.00 C ATOM 398 CD ARG A 29 3.772 10.899 -3.859 1.00 0.00 C ATOM 399 NE ARG A 29 4.988 10.921 -4.668 1.00 0.00 N ATOM 400 CZ ARG A 29 5.543 12.037 -5.128 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.995 13.214 -4.861 1.00 0.00 N ATOM 402 NH2 ARG A 29 6.650 11.976 -5.858 1.00 0.00 N ATOM 0 H ARG A 29 2.625 7.987 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 29 5.107 7.582 -2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.693 10.032 -1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.229 10.141 -1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.958 8.762 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.526 9.387 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.909 11.090 -4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.810 11.704 -3.125 1.00 0.00 H new ATOM 0 HE ARG A 29 5.435 10.032 -4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.144 13.265 -4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.424 14.069 -5.216 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.075 11.072 -6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.076 12.833 -6.211 1.00 0.00 H new ATOM 416 N ARG A 30 5.333 8.836 0.901 1.00 0.00 N ATOM 417 CA ARG A 30 6.232 8.983 2.040 1.00 0.00 C ATOM 418 C ARG A 30 7.134 7.760 2.182 1.00 0.00 C ATOM 419 O ARG A 30 8.273 7.865 2.637 1.00 0.00 O ATOM 420 CB ARG A 30 5.430 9.191 3.326 1.00 0.00 C ATOM 421 CG ARG A 30 6.270 9.099 4.589 1.00 0.00 C ATOM 422 CD ARG A 30 5.410 8.817 5.811 1.00 0.00 C ATOM 423 NE ARG A 30 4.946 10.045 6.449 1.00 0.00 N ATOM 424 CZ ARG A 30 5.724 10.829 7.188 1.00 0.00 C ATOM 425 NH1 ARG A 30 6.998 10.513 7.380 1.00 0.00 N ATOM 426 NH2 ARG A 30 5.229 11.931 7.736 1.00 0.00 N ATOM 0 H ARG A 30 4.406 9.237 1.041 1.00 0.00 H new ATOM 0 HA ARG A 30 6.859 9.857 1.866 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.949 10.168 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.635 8.446 3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.013 8.310 4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.815 10.032 4.734 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.551 8.214 5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.982 8.229 6.529 1.00 0.00 H new ATOM 0 HE ARG A 30 3.971 10.316 6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.382 9.667 6.960 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.593 11.116 7.948 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.250 12.178 7.590 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.827 12.532 8.303 1.00 0.00 H new ATOM 440 N LEU A 31 6.616 6.601 1.790 1.00 0.00 N ATOM 441 CA LEU A 31 7.373 5.357 1.874 1.00 0.00 C ATOM 442 C LEU A 31 8.288 5.194 0.665 1.00 0.00 C ATOM 443 O LEU A 31 9.511 5.157 0.799 1.00 0.00 O ATOM 444 CB LEU A 31 6.422 4.163 1.973 1.00 0.00 C ATOM 445 CG LEU A 31 5.435 4.187 3.140 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.444 3.039 3.025 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.176 4.122 4.468 1.00 0.00 C ATOM 0 H LEU A 31 5.675 6.497 1.411 1.00 0.00 H new ATOM 0 HA LEU A 31 7.991 5.397 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.855 4.098 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.019 3.254 2.046 1.00 0.00 H new ATOM 0 HG LEU A 31 4.880 5.125 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.749 3.072 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.889 3.129 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.982 2.091 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.457 4.140 5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.757 3.201 4.516 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.845 4.978 4.554 1.00 0.00 H new ATOM 459 N ALA A 32 7.687 5.098 -0.517 1.00 0.00 N ATOM 460 CA ALA A 32 8.448 4.944 -1.751 1.00 0.00 C ATOM 461 C ALA A 32 9.692 5.825 -1.742 1.00 0.00 C ATOM 462 O ALA A 32 10.796 5.360 -2.032 1.00 0.00 O ATOM 463 CB ALA A 32 7.575 5.271 -2.953 1.00 0.00 C ATOM 0 H ALA A 32 6.675 5.124 -0.646 1.00 0.00 H new ATOM 0 HA ALA A 32 8.771 3.906 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.156 5.152 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.720 4.596 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.223 6.300 -2.878 1.00 0.00 H new ATOM 469 N LEU A 33 9.509 7.097 -1.409 1.00 0.00 N ATOM 470 CA LEU A 33 10.618 8.044 -1.363 1.00 0.00 C ATOM 471 C LEU A 33 11.712 7.556 -0.419 1.00 0.00 C ATOM 472 O LEU A 33 12.899 7.774 -0.661 1.00 0.00 O ATOM 473 CB LEU A 33 10.121 9.421 -0.918 1.00 0.00 C ATOM 474 CG LEU A 33 9.478 10.285 -2.003 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.513 10.705 -3.035 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.331 9.539 -2.669 1.00 0.00 C ATOM 0 H LEU A 33 8.603 7.497 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 33 11.038 8.123 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.396 9.282 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.963 9.970 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 33 9.077 11.184 -1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.036 11.319 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.301 11.279 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.944 9.818 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.885 10.169 -3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.708 8.623 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.577 9.290 -1.922 1.00 0.00 H new ATOM 488 N LYS A 34 11.304 6.893 0.658 1.00 0.00 N ATOM 489 CA LYS A 34 12.249 6.370 1.638 1.00 0.00 C ATOM 490 C LYS A 34 12.789 5.012 1.202 1.00 0.00 C ATOM 491 O LYS A 34 13.901 4.628 1.567 1.00 0.00 O ATOM 492 CB LYS A 34 11.578 6.248 3.008 1.00 0.00 C ATOM 493 CG LYS A 34 12.436 5.542 4.044 1.00 0.00 C ATOM 494 CD LYS A 34 11.590 4.952 5.160 1.00 0.00 C ATOM 495 CE LYS A 34 12.389 3.974 6.008 1.00 0.00 C ATOM 496 NZ LYS A 34 11.853 3.876 7.394 1.00 0.00 N ATOM 0 H LYS A 34 10.325 6.705 0.874 1.00 0.00 H new ATOM 0 HA LYS A 34 13.084 7.067 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.330 7.245 3.372 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.639 5.707 2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.010 4.750 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.154 6.246 4.464 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.208 5.754 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.726 4.443 4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.371 2.989 5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.431 4.291 6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.424 3.200 7.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.894 4.810 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.866 3.549 7.362 1.00 0.00 H new ATOM 510 N PHE A 35 11.996 4.288 0.418 1.00 0.00 N ATOM 511 CA PHE A 35 12.396 2.973 -0.068 1.00 0.00 C ATOM 512 C PHE A 35 12.628 2.998 -1.576 1.00 0.00 C ATOM 513 O PHE A 35 12.388 2.009 -2.269 1.00 0.00 O ATOM 514 CB PHE A 35 11.329 1.932 0.277 1.00 0.00 C ATOM 515 CG PHE A 35 11.150 1.725 1.754 1.00 0.00 C ATOM 516 CD1 PHE A 35 12.223 1.357 2.550 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.909 1.897 2.346 1.00 0.00 C ATOM 518 CE1 PHE A 35 12.062 1.165 3.909 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.743 1.707 3.705 1.00 0.00 C ATOM 520 CZ PHE A 35 10.820 1.339 4.487 1.00 0.00 C ATOM 0 H PHE A 35 11.073 4.590 0.106 1.00 0.00 H new ATOM 0 HA PHE A 35 13.331 2.701 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.378 2.241 -0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.597 0.982 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.196 1.219 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.063 2.183 1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.907 0.879 4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.771 1.846 4.155 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.691 1.188 5.549 1.00 0.00 H new ATOM 530 N HIS A 36 13.098 4.136 -2.078 1.00 0.00 N ATOM 531 CA HIS A 36 13.363 4.291 -3.504 1.00 0.00 C ATOM 532 C HIS A 36 14.786 3.856 -3.842 1.00 0.00 C ATOM 533 O HIS A 36 15.733 4.112 -3.097 1.00 0.00 O ATOM 534 CB HIS A 36 13.147 5.744 -3.929 1.00 0.00 C ATOM 535 CG HIS A 36 12.691 5.890 -5.349 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.534 6.262 -6.375 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.473 5.711 -5.910 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.854 6.307 -7.506 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.600 5.976 -7.252 1.00 0.00 N ATOM 0 H HIS A 36 13.303 4.964 -1.519 1.00 0.00 H new ATOM 0 HA HIS A 36 12.667 3.653 -4.050 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.409 6.201 -3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.078 6.295 -3.796 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.569 5.415 -5.398 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.254 6.570 -8.474 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.849 5.926 -7.940 1.00 0.00 H new ATOM 547 N PRO A 37 14.942 3.183 -4.991 1.00 0.00 N ATOM 548 CA PRO A 37 16.246 2.698 -5.453 1.00 0.00 C ATOM 549 C PRO A 37 17.169 3.834 -5.881 1.00 0.00 C ATOM 550 O PRO A 37 18.373 3.640 -6.048 1.00 0.00 O ATOM 551 CB PRO A 37 15.892 1.817 -6.654 1.00 0.00 C ATOM 552 CG PRO A 37 14.591 2.352 -7.146 1.00 0.00 C ATOM 553 CD PRO A 37 13.858 2.842 -5.927 1.00 0.00 C ATOM 0 HA PRO A 37 16.787 2.173 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.660 1.872 -7.426 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.805 0.770 -6.365 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.746 3.161 -7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.020 1.579 -7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.236 3.708 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.201 2.075 -5.518 1.00 0.00 H new ATOM 561 N ASP A 38 16.597 5.021 -6.055 1.00 0.00 N ATOM 562 CA ASP A 38 17.369 6.189 -6.461 1.00 0.00 C ATOM 563 C ASP A 38 17.805 7.002 -5.246 1.00 0.00 C ATOM 564 O ASP A 38 18.930 7.497 -5.188 1.00 0.00 O ATOM 565 CB ASP A 38 16.547 7.065 -7.408 1.00 0.00 C ATOM 566 CG ASP A 38 17.418 7.899 -8.327 1.00 0.00 C ATOM 567 OD1 ASP A 38 17.806 7.391 -9.400 1.00 0.00 O ATOM 568 OD2 ASP A 38 17.711 9.060 -7.974 1.00 0.00 O ATOM 0 H ASP A 38 15.602 5.199 -5.921 1.00 0.00 H new ATOM 0 HA ASP A 38 18.261 5.841 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.893 6.432 -8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.905 7.724 -6.823 1.00 0.00 H new ATOM 573 N LYS A 39 16.905 7.136 -4.277 1.00 0.00 N ATOM 574 CA LYS A 39 17.196 7.889 -3.062 1.00 0.00 C ATOM 575 C LYS A 39 17.950 7.026 -2.056 1.00 0.00 C ATOM 576 O LYS A 39 18.998 7.422 -1.547 1.00 0.00 O ATOM 577 CB LYS A 39 15.899 8.406 -2.436 1.00 0.00 C ATOM 578 CG LYS A 39 15.269 9.555 -3.203 1.00 0.00 C ATOM 579 CD LYS A 39 14.496 10.484 -2.282 1.00 0.00 C ATOM 580 CE LYS A 39 14.248 11.836 -2.933 1.00 0.00 C ATOM 581 NZ LYS A 39 15.484 12.665 -2.979 1.00 0.00 N ATOM 0 H LYS A 39 15.968 6.733 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 39 17.826 8.737 -3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.183 7.586 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.102 8.730 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.046 10.118 -3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.600 9.160 -3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.543 10.026 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.051 10.622 -1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.872 11.688 -3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.474 12.369 -2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.238 13.642 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.941 12.659 -2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.138 12.274 -3.687 1.00 0.00 H new ATOM 595 N ASN A 40 17.411 5.844 -1.774 1.00 0.00 N ATOM 596 CA ASN A 40 18.034 4.925 -0.829 1.00 0.00 C ATOM 597 C ASN A 40 19.082 4.060 -1.522 1.00 0.00 C ATOM 598 O ASN A 40 20.180 3.858 -1.001 1.00 0.00 O ATOM 599 CB ASN A 40 16.974 4.037 -0.175 1.00 0.00 C ATOM 600 CG ASN A 40 17.409 3.522 1.184 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.599 3.334 1.437 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.444 3.292 2.066 1.00 0.00 N ATOM 0 H ASN A 40 16.544 5.500 -2.187 1.00 0.00 H new ATOM 0 HA ASN A 40 18.529 5.516 -0.058 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.048 4.601 -0.067 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.758 3.192 -0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.676 2.945 2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.471 3.462 1.813 1.00 0.00 H new ATOM 609 N HIS A 41 18.737 3.552 -2.700 1.00 0.00 N ATOM 610 CA HIS A 41 19.648 2.709 -3.466 1.00 0.00 C ATOM 611 C HIS A 41 20.333 1.688 -2.562 1.00 0.00 C ATOM 612 O HIS A 41 21.515 1.390 -2.731 1.00 0.00 O ATOM 613 CB HIS A 41 20.697 3.567 -4.173 1.00 0.00 C ATOM 614 CG HIS A 41 21.538 4.378 -3.236 1.00 0.00 C ATOM 615 ND1 HIS A 41 22.729 3.925 -2.710 1.00 0.00 N ATOM 616 CD2 HIS A 41 21.355 5.621 -2.733 1.00 0.00 C ATOM 617 CE1 HIS A 41 23.242 4.853 -1.922 1.00 0.00 C ATOM 618 NE2 HIS A 41 22.427 5.893 -1.919 1.00 0.00 N ATOM 0 H HIS A 41 17.833 3.709 -3.145 1.00 0.00 H new ATOM 0 HA HIS A 41 19.065 2.172 -4.214 1.00 0.00 H new ATOM 0 HB2 HIS A 41 21.346 2.920 -4.763 1.00 0.00 H new ATOM 0 HB3 HIS A 41 20.196 4.238 -4.871 1.00 0.00 H new ATOM 0 HD1 HIS A 41 23.149 3.015 -2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 41 20.521 6.277 -2.934 1.00 0.00 H new ATOM 0 HE1 HIS A 41 24.169 4.775 -1.374 1.00 0.00 H new ATOM 626 N ALA A 42 19.583 1.157 -1.603 1.00 0.00 N ATOM 627 CA ALA A 42 20.118 0.169 -0.673 1.00 0.00 C ATOM 628 C ALA A 42 19.292 -1.112 -0.699 1.00 0.00 C ATOM 629 O ALA A 42 18.099 -1.105 -1.001 1.00 0.00 O ATOM 630 CB ALA A 42 20.164 0.742 0.736 1.00 0.00 C ATOM 0 H ALA A 42 18.603 1.394 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 42 21.132 -0.078 -0.986 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.565 -0.006 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.803 1.625 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 42 19.157 1.018 1.050 1.00 0.00 H new ATOM 636 N PRO A 43 19.941 -2.241 -0.376 1.00 0.00 N ATOM 637 CA PRO A 43 19.285 -3.552 -0.355 1.00 0.00 C ATOM 638 C PRO A 43 18.286 -3.683 0.789 1.00 0.00 C ATOM 639 O PRO A 43 18.485 -3.124 1.867 1.00 0.00 O ATOM 640 CB PRO A 43 20.449 -4.528 -0.162 1.00 0.00 C ATOM 641 CG PRO A 43 21.505 -3.727 0.518 1.00 0.00 C ATOM 642 CD PRO A 43 21.363 -2.325 -0.005 1.00 0.00 C ATOM 0 HA PRO A 43 18.705 -3.731 -1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 43 20.151 -5.385 0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 43 20.801 -4.918 -1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 43 21.379 -3.754 1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 43 22.496 -4.125 0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 43 21.625 -1.586 0.752 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.013 -2.148 -0.862 1.00 0.00 H new ATOM 650 N GLY A 44 17.209 -4.425 0.547 1.00 0.00 N ATOM 651 CA GLY A 44 16.195 -4.615 1.567 1.00 0.00 C ATOM 652 C GLY A 44 15.122 -3.544 1.525 1.00 0.00 C ATOM 653 O GLY A 44 13.933 -3.850 1.441 1.00 0.00 O ATOM 0 H GLY A 44 17.021 -4.898 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.733 -5.593 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.667 -4.613 2.549 1.00 0.00 H new ATOM 657 N ALA A 45 15.543 -2.285 1.586 1.00 0.00 N ATOM 658 CA ALA A 45 14.610 -1.166 1.554 1.00 0.00 C ATOM 659 C ALA A 45 13.891 -1.088 0.212 1.00 0.00 C ATOM 660 O ALA A 45 12.666 -1.198 0.143 1.00 0.00 O ATOM 661 CB ALA A 45 15.340 0.138 1.841 1.00 0.00 C ATOM 0 H ALA A 45 16.524 -2.015 1.658 1.00 0.00 H new ATOM 0 HA ALA A 45 13.860 -1.328 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.631 0.965 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.801 0.087 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.112 0.297 1.088 1.00 0.00 H new ATOM 667 N THR A 46 14.660 -0.898 -0.856 1.00 0.00 N ATOM 668 CA THR A 46 14.097 -0.803 -2.197 1.00 0.00 C ATOM 669 C THR A 46 13.109 -1.934 -2.459 1.00 0.00 C ATOM 670 O THR A 46 11.916 -1.698 -2.645 1.00 0.00 O ATOM 671 CB THR A 46 15.198 -0.839 -3.273 1.00 0.00 C ATOM 672 OG1 THR A 46 16.212 0.125 -2.968 1.00 0.00 O ATOM 673 CG2 THR A 46 14.619 -0.554 -4.650 1.00 0.00 C ATOM 0 H THR A 46 15.675 -0.807 -0.818 1.00 0.00 H new ATOM 0 HA THR A 46 13.576 0.153 -2.254 1.00 0.00 H new ATOM 0 HB THR A 46 15.636 -1.837 -3.280 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.851 -0.262 -2.334 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.416 -0.585 -5.393 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.868 -1.306 -4.892 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.158 0.434 -4.653 1.00 0.00 H new ATOM 681 N GLU A 47 13.615 -3.164 -2.472 1.00 0.00 N ATOM 682 CA GLU A 47 12.775 -4.332 -2.711 1.00 0.00 C ATOM 683 C GLU A 47 11.389 -4.140 -2.102 1.00 0.00 C ATOM 684 O GLU A 47 10.375 -4.420 -2.740 1.00 0.00 O ATOM 685 CB GLU A 47 13.430 -5.587 -2.131 1.00 0.00 C ATOM 686 CG GLU A 47 14.775 -5.916 -2.756 1.00 0.00 C ATOM 687 CD GLU A 47 14.651 -6.825 -3.963 1.00 0.00 C ATOM 688 OE1 GLU A 47 13.649 -7.566 -4.048 1.00 0.00 O ATOM 689 OE2 GLU A 47 15.555 -6.794 -4.824 1.00 0.00 O ATOM 0 H GLU A 47 14.601 -3.377 -2.320 1.00 0.00 H new ATOM 0 HA GLU A 47 12.665 -4.454 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.561 -5.455 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.758 -6.434 -2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.270 -4.991 -3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.411 -6.393 -2.010 1.00 0.00 H new ATOM 696 N ALA A 48 11.356 -3.661 -0.863 1.00 0.00 N ATOM 697 CA ALA A 48 10.096 -3.430 -0.167 1.00 0.00 C ATOM 698 C ALA A 48 9.161 -2.558 -0.998 1.00 0.00 C ATOM 699 O ALA A 48 7.974 -2.854 -1.132 1.00 0.00 O ATOM 700 CB ALA A 48 10.352 -2.790 1.190 1.00 0.00 C ATOM 0 H ALA A 48 12.187 -3.425 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 48 9.611 -4.394 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.402 -2.623 1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.975 -3.451 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.862 -1.837 1.052 1.00 0.00 H new ATOM 706 N PHE A 49 9.705 -1.480 -1.554 1.00 0.00 N ATOM 707 CA PHE A 49 8.919 -0.563 -2.371 1.00 0.00 C ATOM 708 C PHE A 49 7.976 -1.329 -3.294 1.00 0.00 C ATOM 709 O PHE A 49 6.776 -1.056 -3.341 1.00 0.00 O ATOM 710 CB PHE A 49 9.841 0.336 -3.197 1.00 0.00 C ATOM 711 CG PHE A 49 9.105 1.251 -4.134 1.00 0.00 C ATOM 712 CD1 PHE A 49 7.879 1.788 -3.778 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.639 1.572 -5.372 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.199 2.630 -4.638 1.00 0.00 C ATOM 715 CE2 PHE A 49 8.964 2.414 -6.235 1.00 0.00 C ATOM 716 CZ PHE A 49 7.742 2.943 -5.868 1.00 0.00 C ATOM 0 H PHE A 49 10.686 -1.220 -1.454 1.00 0.00 H new ATOM 0 HA PHE A 49 8.321 0.057 -1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.451 0.935 -2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.523 -0.289 -3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.449 1.546 -2.817 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.593 1.160 -5.665 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.244 3.043 -4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.392 2.658 -7.196 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.212 3.600 -6.542 1.00 0.00 H new ATOM 726 N LYS A 50 8.527 -2.289 -4.029 1.00 0.00 N ATOM 727 CA LYS A 50 7.738 -3.097 -4.951 1.00 0.00 C ATOM 728 C LYS A 50 6.426 -3.533 -4.306 1.00 0.00 C ATOM 729 O LYS A 50 5.360 -3.425 -4.912 1.00 0.00 O ATOM 730 CB LYS A 50 8.533 -4.326 -5.395 1.00 0.00 C ATOM 731 CG LYS A 50 9.403 -4.080 -6.616 1.00 0.00 C ATOM 732 CD LYS A 50 9.866 -5.384 -7.243 1.00 0.00 C ATOM 733 CE LYS A 50 8.862 -5.900 -8.262 1.00 0.00 C ATOM 734 NZ LYS A 50 9.088 -5.311 -9.611 1.00 0.00 N ATOM 0 H LYS A 50 9.519 -2.527 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 50 7.509 -2.486 -5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.164 -4.657 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.839 -5.138 -5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.845 -3.500 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.270 -3.484 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.832 -5.234 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.012 -6.132 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.933 -6.986 -8.323 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.852 -5.665 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.383 -5.688 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.996 -4.276 -9.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.043 -5.557 -9.942 1.00 0.00 H new ATOM 748 N ALA A 51 6.511 -4.024 -3.075 1.00 0.00 N ATOM 749 CA ALA A 51 5.330 -4.472 -2.347 1.00 0.00 C ATOM 750 C ALA A 51 4.394 -3.307 -2.049 1.00 0.00 C ATOM 751 O ALA A 51 3.205 -3.357 -2.365 1.00 0.00 O ATOM 752 CB ALA A 51 5.738 -5.168 -1.057 1.00 0.00 C ATOM 0 H ALA A 51 7.386 -4.122 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 51 4.794 -5.182 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.846 -5.497 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.361 -6.032 -1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.300 -4.474 -0.431 1.00 0.00 H new ATOM 758 N ILE A 52 4.937 -2.259 -1.439 1.00 0.00 N ATOM 759 CA ILE A 52 4.149 -1.081 -1.098 1.00 0.00 C ATOM 760 C ILE A 52 3.141 -0.758 -2.196 1.00 0.00 C ATOM 761 O ILE A 52 1.931 -0.817 -1.979 1.00 0.00 O ATOM 762 CB ILE A 52 5.047 0.149 -0.864 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.244 -0.227 0.011 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.248 1.274 -0.223 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.997 0.969 0.550 1.00 0.00 C ATOM 0 H ILE A 52 5.919 -2.202 -1.171 1.00 0.00 H new ATOM 0 HA ILE A 52 3.617 -1.313 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 52 5.419 0.498 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.896 -0.834 0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.928 -0.846 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.896 2.136 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.425 1.555 -0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.850 0.938 0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.832 0.628 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.375 1.565 -0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.327 1.577 1.158 1.00 0.00 H new ATOM 777 N GLY A 53 3.648 -0.417 -3.377 1.00 0.00 N ATOM 778 CA GLY A 53 2.778 -0.092 -4.492 1.00 0.00 C ATOM 779 C GLY A 53 1.620 -1.060 -4.626 1.00 0.00 C ATOM 780 O GLY A 53 0.456 -0.660 -4.579 1.00 0.00 O ATOM 0 H GLY A 53 4.646 -0.360 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.390 0.918 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.359 -0.095 -5.415 1.00 0.00 H new ATOM 784 N THR A 54 1.937 -2.340 -4.795 1.00 0.00 N ATOM 785 CA THR A 54 0.915 -3.369 -4.939 1.00 0.00 C ATOM 786 C THR A 54 -0.313 -3.046 -4.095 1.00 0.00 C ATOM 787 O THR A 54 -1.447 -3.215 -4.541 1.00 0.00 O ATOM 788 CB THR A 54 1.451 -4.755 -4.535 1.00 0.00 C ATOM 789 OG1 THR A 54 2.677 -5.026 -5.224 1.00 0.00 O ATOM 790 CG2 THR A 54 0.435 -5.842 -4.850 1.00 0.00 C ATOM 0 H THR A 54 2.895 -2.689 -4.836 1.00 0.00 H new ATOM 0 HA THR A 54 0.634 -3.390 -5.992 1.00 0.00 H new ATOM 0 HB THR A 54 1.632 -4.751 -3.460 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.419 -4.593 -4.753 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.837 -6.812 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.486 -5.649 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.226 -5.845 -5.920 1.00 0.00 H new ATOM 798 N ALA A 55 -0.079 -2.578 -2.873 1.00 0.00 N ATOM 799 CA ALA A 55 -1.166 -2.229 -1.967 1.00 0.00 C ATOM 800 C ALA A 55 -1.857 -0.943 -2.410 1.00 0.00 C ATOM 801 O ALA A 55 -3.060 -0.932 -2.672 1.00 0.00 O ATOM 802 CB ALA A 55 -0.644 -2.087 -0.545 1.00 0.00 C ATOM 0 H ALA A 55 0.854 -2.432 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.901 -3.034 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.467 -1.826 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.203 -3.030 -0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.112 -1.303 -0.512 1.00 0.00 H new ATOM 808 N TYR A 56 -1.090 0.138 -2.490 1.00 0.00 N ATOM 809 CA TYR A 56 -1.629 1.429 -2.898 1.00 0.00 C ATOM 810 C TYR A 56 -2.491 1.290 -4.149 1.00 0.00 C ATOM 811 O TYR A 56 -3.583 1.850 -4.229 1.00 0.00 O ATOM 812 CB TYR A 56 -0.493 2.421 -3.156 1.00 0.00 C ATOM 813 CG TYR A 56 -0.962 3.746 -3.714 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.655 4.651 -2.919 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.710 4.094 -5.035 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.085 5.862 -3.425 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.136 5.303 -5.549 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.823 6.184 -4.740 1.00 0.00 C ATOM 819 OH TYR A 56 -2.249 7.390 -5.248 1.00 0.00 O ATOM 0 H TYR A 56 -0.092 0.146 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.254 1.805 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.042 2.598 -2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.217 1.974 -3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.861 4.403 -1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.172 3.407 -5.671 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.624 6.553 -2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.932 5.557 -6.579 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.983 7.461 -6.188 1.00 0.00 H new ATOM 829 N ALA A 57 -1.991 0.537 -5.123 1.00 0.00 N ATOM 830 CA ALA A 57 -2.715 0.320 -6.370 1.00 0.00 C ATOM 831 C ALA A 57 -4.116 -0.220 -6.104 1.00 0.00 C ATOM 832 O ALA A 57 -5.095 0.255 -6.680 1.00 0.00 O ATOM 833 CB ALA A 57 -1.942 -0.633 -7.270 1.00 0.00 C ATOM 0 H ALA A 57 -1.087 0.067 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.814 1.280 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.494 -0.786 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.964 -0.208 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.813 -1.589 -6.762 1.00 0.00 H new ATOM 839 N VAL A 58 -4.205 -1.215 -5.227 1.00 0.00 N ATOM 840 CA VAL A 58 -5.487 -1.819 -4.885 1.00 0.00 C ATOM 841 C VAL A 58 -6.461 -0.776 -4.348 1.00 0.00 C ATOM 842 O VAL A 58 -7.428 -0.410 -5.017 1.00 0.00 O ATOM 843 CB VAL A 58 -5.320 -2.936 -3.837 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.676 -3.478 -3.412 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.439 -4.050 -4.383 1.00 0.00 C ATOM 0 H VAL A 58 -3.405 -1.620 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.888 -2.249 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.833 -2.515 -2.958 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.537 -4.266 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.270 -2.673 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.194 -3.884 -4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.331 -4.831 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.897 -4.470 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.457 -3.648 -4.632 1.00 0.00 H new ATOM 855 N LEU A 59 -6.199 -0.299 -3.136 1.00 0.00 N ATOM 856 CA LEU A 59 -7.051 0.704 -2.508 1.00 0.00 C ATOM 857 C LEU A 59 -7.269 1.893 -3.438 1.00 0.00 C ATOM 858 O LEU A 59 -8.404 2.302 -3.684 1.00 0.00 O ATOM 859 CB LEU A 59 -6.431 1.178 -1.193 1.00 0.00 C ATOM 860 CG LEU A 59 -5.948 0.081 -0.244 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.292 0.688 0.986 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.104 -0.824 0.157 1.00 0.00 C ATOM 0 H LEU A 59 -5.403 -0.591 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.018 0.245 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.587 1.827 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.166 1.788 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.204 -0.522 -0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.955 -0.109 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.438 1.293 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.013 1.316 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.742 -1.599 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.871 -0.234 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.529 -1.288 -0.733 1.00 0.00 H new ATOM 874 N SER A 60 -6.174 2.443 -3.954 1.00 0.00 N ATOM 875 CA SER A 60 -6.245 3.587 -4.856 1.00 0.00 C ATOM 876 C SER A 60 -7.306 3.366 -5.930 1.00 0.00 C ATOM 877 O SER A 60 -7.895 4.317 -6.441 1.00 0.00 O ATOM 878 CB SER A 60 -4.884 3.832 -5.511 1.00 0.00 C ATOM 879 OG SER A 60 -4.896 5.022 -6.279 1.00 0.00 O ATOM 0 H SER A 60 -5.227 2.115 -3.763 1.00 0.00 H new ATOM 0 HA SER A 60 -6.522 4.464 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.114 3.899 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.626 2.986 -6.148 1.00 0.00 H new ATOM 0 HG SER A 60 -4.108 5.561 -6.059 1.00 0.00 H new ATOM 885 N ASN A 61 -7.544 2.102 -6.267 1.00 0.00 N ATOM 886 CA ASN A 61 -8.534 1.755 -7.281 1.00 0.00 C ATOM 887 C ASN A 61 -9.871 1.400 -6.637 1.00 0.00 C ATOM 888 O ASN A 61 -9.932 0.741 -5.599 1.00 0.00 O ATOM 889 CB ASN A 61 -8.036 0.583 -8.128 1.00 0.00 C ATOM 890 CG ASN A 61 -8.581 0.620 -9.543 1.00 0.00 C ATOM 891 OD1 ASN A 61 -8.277 1.530 -10.314 1.00 0.00 O ATOM 892 ND2 ASN A 61 -9.391 -0.373 -9.891 1.00 0.00 N ATOM 0 H ASN A 61 -7.065 1.302 -5.853 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.680 2.623 -7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -6.947 0.599 -8.161 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.327 -0.354 -7.654 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.788 -0.402 -10.830 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.616 -1.107 -9.219 1.00 0.00 H new ATOM 899 N PRO A 62 -10.968 1.846 -7.267 1.00 0.00 N ATOM 900 CA PRO A 62 -12.324 1.586 -6.774 1.00 0.00 C ATOM 901 C PRO A 62 -12.720 0.121 -6.913 1.00 0.00 C ATOM 902 O PRO A 62 -13.518 -0.392 -6.129 1.00 0.00 O ATOM 903 CB PRO A 62 -13.200 2.465 -7.670 1.00 0.00 C ATOM 904 CG PRO A 62 -12.414 2.631 -8.924 1.00 0.00 C ATOM 905 CD PRO A 62 -10.969 2.637 -8.509 1.00 0.00 C ATOM 0 HA PRO A 62 -12.421 1.806 -5.711 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.163 1.994 -7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.405 3.427 -7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.616 1.818 -9.622 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.678 3.559 -9.430 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.330 2.190 -9.271 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.603 3.650 -8.341 1.00 0.00 H new ATOM 913 N GLU A 63 -12.158 -0.547 -7.916 1.00 0.00 N ATOM 914 CA GLU A 63 -12.455 -1.955 -8.156 1.00 0.00 C ATOM 915 C GLU A 63 -11.688 -2.846 -7.184 1.00 0.00 C ATOM 916 O GLU A 63 -12.261 -3.736 -6.555 1.00 0.00 O ATOM 917 CB GLU A 63 -12.106 -2.333 -9.597 1.00 0.00 C ATOM 918 CG GLU A 63 -13.194 -1.987 -10.599 1.00 0.00 C ATOM 919 CD GLU A 63 -13.119 -0.547 -11.067 1.00 0.00 C ATOM 920 OE1 GLU A 63 -12.040 -0.131 -11.538 1.00 0.00 O ATOM 921 OE2 GLU A 63 -14.141 0.164 -10.963 1.00 0.00 O ATOM 0 H GLU A 63 -11.496 -0.137 -8.574 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.522 -2.108 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.185 -1.825 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.907 -3.404 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.113 -2.650 -11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.169 -2.168 -10.148 1.00 0.00 H new ATOM 928 N LYS A 64 -10.387 -2.601 -7.066 1.00 0.00 N ATOM 929 CA LYS A 64 -9.540 -3.380 -6.171 1.00 0.00 C ATOM 930 C LYS A 64 -9.802 -3.009 -4.715 1.00 0.00 C ATOM 931 O LYS A 64 -9.497 -3.780 -3.804 1.00 0.00 O ATOM 932 CB LYS A 64 -8.064 -3.155 -6.508 1.00 0.00 C ATOM 933 CG LYS A 64 -7.705 -3.517 -7.939 1.00 0.00 C ATOM 934 CD LYS A 64 -6.222 -3.813 -8.084 1.00 0.00 C ATOM 935 CE LYS A 64 -5.868 -4.203 -9.511 1.00 0.00 C ATOM 936 NZ LYS A 64 -6.420 -5.537 -9.874 1.00 0.00 N ATOM 0 H LYS A 64 -9.896 -1.869 -7.579 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.781 -4.434 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.816 -2.108 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.450 -3.746 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.283 -4.387 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.980 -2.697 -8.603 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.645 -2.936 -7.792 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.943 -4.619 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.253 -3.451 -10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.784 -4.215 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.033 -5.834 -10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.157 -6.231 -9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.456 -5.478 -9.937 1.00 0.00 H new ATOM 950 N ARG A 65 -10.368 -1.826 -4.503 1.00 0.00 N ATOM 951 CA ARG A 65 -10.671 -1.354 -3.157 1.00 0.00 C ATOM 952 C ARG A 65 -12.025 -1.879 -2.689 1.00 0.00 C ATOM 953 O ARG A 65 -12.136 -2.474 -1.616 1.00 0.00 O ATOM 954 CB ARG A 65 -10.663 0.175 -3.116 1.00 0.00 C ATOM 955 CG ARG A 65 -10.991 0.749 -1.747 1.00 0.00 C ATOM 956 CD ARG A 65 -11.001 2.270 -1.769 1.00 0.00 C ATOM 957 NE ARG A 65 -11.081 2.836 -0.425 1.00 0.00 N ATOM 958 CZ ARG A 65 -11.330 4.118 -0.181 1.00 0.00 C ATOM 959 NH1 ARG A 65 -11.522 4.962 -1.185 1.00 0.00 N ATOM 960 NH2 ARG A 65 -11.387 4.557 1.069 1.00 0.00 N ATOM 0 H ARG A 65 -10.626 -1.176 -5.246 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.901 -1.733 -2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.681 0.533 -3.425 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.383 0.553 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.964 0.382 -1.421 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.259 0.399 -1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.098 2.631 -2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.848 2.618 -2.360 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.938 2.213 0.370 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.479 4.628 -2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -11.713 5.946 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.240 3.910 1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.578 5.541 1.256 1.00 0.00 H new ATOM 974 N LYS A 66 -13.054 -1.654 -3.499 1.00 0.00 N ATOM 975 CA LYS A 66 -14.401 -2.104 -3.170 1.00 0.00 C ATOM 976 C LYS A 66 -14.397 -3.569 -2.745 1.00 0.00 C ATOM 977 O LYS A 66 -15.147 -3.968 -1.855 1.00 0.00 O ATOM 978 CB LYS A 66 -15.332 -1.913 -4.369 1.00 0.00 C ATOM 979 CG LYS A 66 -15.117 -2.931 -5.475 1.00 0.00 C ATOM 980 CD LYS A 66 -16.175 -2.811 -6.558 1.00 0.00 C ATOM 981 CE LYS A 66 -17.384 -3.684 -6.257 1.00 0.00 C ATOM 982 NZ LYS A 66 -17.031 -5.130 -6.232 1.00 0.00 N ATOM 0 H LYS A 66 -12.980 -1.162 -4.389 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.764 -1.503 -2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.366 -1.972 -4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.187 -0.912 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.129 -2.790 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.138 -3.936 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.489 -1.771 -6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.748 -3.098 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.809 -3.397 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.153 -3.511 -7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.630 -5.645 -6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -16.032 -5.248 -6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.184 -5.508 -5.275 1.00 0.00 H new ATOM 996 N GLN A 67 -13.546 -4.364 -3.386 1.00 0.00 N ATOM 997 CA GLN A 67 -13.444 -5.784 -3.073 1.00 0.00 C ATOM 998 C GLN A 67 -12.780 -5.997 -1.716 1.00 0.00 C ATOM 999 O GLN A 67 -13.121 -6.927 -0.985 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.654 -6.513 -4.161 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.199 -6.083 -4.247 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.321 -7.122 -4.915 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -10.816 -8.056 -5.547 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.009 -6.966 -4.780 1.00 0.00 N ATOM 0 H GLN A 67 -12.918 -4.049 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.453 -6.194 -3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.697 -7.586 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.133 -6.339 -5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.133 -5.147 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.823 -5.886 -3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.641 -6.177 -4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.369 -7.635 -5.209 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.830 -5.129 -1.387 1.00 0.00 N ATOM 1014 CA TYR A 68 -11.115 -5.223 -0.119 1.00 0.00 C ATOM 1015 C TYR A 68 -12.000 -4.773 1.040 1.00 0.00 C ATOM 1016 O TYR A 68 -11.963 -5.353 2.125 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.843 -4.375 -0.163 1.00 0.00 C ATOM 1018 CG TYR A 68 -9.046 -4.413 1.121 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -9.517 -3.794 2.273 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -7.822 -5.068 1.183 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -8.791 -3.825 3.448 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.090 -5.105 2.355 1.00 0.00 C ATOM 1023 CZ TYR A 68 -7.579 -4.482 3.484 1.00 0.00 C ATOM 1024 OH TYR A 68 -6.854 -4.517 4.653 1.00 0.00 O ATOM 0 H TYR A 68 -11.537 -4.353 -1.980 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.843 -6.267 0.039 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.213 -4.722 -0.982 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.112 -3.342 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.467 -3.280 2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.436 -5.556 0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -9.171 -3.337 4.334 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.141 -5.619 2.386 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.992 -5.379 5.098 1.00 0.00 H new ATOM 1034 N ASP A 69 -12.794 -3.736 0.800 1.00 0.00 N ATOM 1035 CA ASP A 69 -13.690 -3.207 1.822 1.00 0.00 C ATOM 1036 C ASP A 69 -14.787 -4.214 2.157 1.00 0.00 C ATOM 1037 O ASP A 69 -15.312 -4.226 3.269 1.00 0.00 O ATOM 1038 CB ASP A 69 -14.314 -1.892 1.353 1.00 0.00 C ATOM 1039 CG ASP A 69 -13.477 -0.686 1.734 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -12.434 -0.460 1.085 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -13.865 0.031 2.680 1.00 0.00 O ATOM 0 H ASP A 69 -12.836 -3.245 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.104 -3.021 2.722 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.438 -1.918 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -15.310 -1.791 1.785 1.00 0.00 H new ATOM 1046 N GLN A 70 -15.127 -5.055 1.185 1.00 0.00 N ATOM 1047 CA GLN A 70 -16.162 -6.064 1.377 1.00 0.00 C ATOM 1048 C GLN A 70 -15.552 -7.398 1.795 1.00 0.00 C ATOM 1049 O GLN A 70 -15.862 -7.927 2.863 1.00 0.00 O ATOM 1050 CB GLN A 70 -16.974 -6.242 0.093 1.00 0.00 C ATOM 1051 CG GLN A 70 -18.171 -5.310 -0.003 1.00 0.00 C ATOM 1052 CD GLN A 70 -19.040 -5.345 1.239 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -19.476 -6.411 1.675 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -19.296 -4.177 1.816 1.00 0.00 N ATOM 0 H GLN A 70 -14.701 -5.058 0.258 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.823 -5.722 2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.323 -6.074 -0.765 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.321 -7.273 0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.821 -4.291 -0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.772 -5.585 -0.870 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.914 -3.318 1.420 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.875 -4.139 2.655 1.00 0.00 H new ATOM 1063 N PHE A 71 -14.682 -7.937 0.947 1.00 0.00 N ATOM 1064 CA PHE A 71 -14.029 -9.210 1.228 1.00 0.00 C ATOM 1065 C PHE A 71 -12.571 -8.997 1.626 1.00 0.00 C ATOM 1066 O PHE A 71 -11.666 -9.606 1.057 1.00 0.00 O ATOM 1067 CB PHE A 71 -14.108 -10.128 0.007 1.00 0.00 C ATOM 1068 CG PHE A 71 -15.484 -10.674 -0.245 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -16.451 -9.895 -0.861 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -15.811 -11.966 0.134 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -17.718 -10.395 -1.095 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -17.077 -12.471 -0.098 1.00 0.00 C ATOM 1073 CZ PHE A 71 -18.032 -11.684 -0.712 1.00 0.00 C ATOM 0 H PHE A 71 -14.413 -7.512 0.060 1.00 0.00 H new ATOM 0 HA PHE A 71 -14.549 -9.681 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -13.778 -9.577 -0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -13.415 -10.959 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -16.212 -8.886 -1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -15.069 -12.585 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -18.462 -9.778 -1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.319 -13.480 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 71 -19.022 -12.076 -0.892 1.00 0.00 H new ATOM 1083 N GLY A 72 -12.352 -8.127 2.607 1.00 0.00 N ATOM 1084 CA GLY A 72 -11.004 -7.849 3.064 1.00 0.00 C ATOM 1085 C GLY A 72 -10.977 -7.230 4.448 1.00 0.00 C ATOM 1086 O GLY A 72 -10.052 -7.468 5.224 1.00 0.00 O ATOM 0 H GLY A 72 -13.085 -7.610 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.428 -8.775 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.516 -7.176 2.359 1.00 0.00 H new ATOM 1090 N SER A 73 -11.993 -6.431 4.757 1.00 0.00 N ATOM 1091 CA SER A 73 -12.079 -5.771 6.054 1.00 0.00 C ATOM 1092 C SER A 73 -13.326 -6.220 6.810 1.00 0.00 C ATOM 1093 O SER A 73 -13.282 -6.459 8.016 1.00 0.00 O ATOM 1094 CB SER A 73 -12.096 -4.251 5.877 1.00 0.00 C ATOM 1095 OG SER A 73 -10.780 -3.725 5.864 1.00 0.00 O ATOM 0 H SER A 73 -12.768 -6.225 4.127 1.00 0.00 H new ATOM 0 HA SER A 73 -11.201 -6.052 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.602 -3.996 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.666 -3.794 6.686 1.00 0.00 H new ATOM 0 HG SER A 73 -10.818 -2.753 5.748 1.00 0.00 H new ATOM 1101 N GLY A 74 -14.439 -6.331 6.091 1.00 0.00 N ATOM 1102 CA GLY A 74 -15.683 -6.751 6.709 1.00 0.00 C ATOM 1103 C GLY A 74 -15.881 -6.143 8.083 1.00 0.00 C ATOM 1104 O GLY A 74 -16.284 -4.988 8.222 1.00 0.00 O ATOM 0 H GLY A 74 -14.501 -6.137 5.091 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -16.517 -6.470 6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.696 -7.838 6.791 1.00 0.00 H new ATOM 1108 N PRO A 75 -15.597 -6.932 9.130 1.00 0.00 N ATOM 1109 CA PRO A 75 -15.740 -6.486 10.519 1.00 0.00 C ATOM 1110 C PRO A 75 -14.701 -5.437 10.901 1.00 0.00 C ATOM 1111 O PRO A 75 -13.502 -5.638 10.707 1.00 0.00 O ATOM 1112 CB PRO A 75 -15.528 -7.768 11.327 1.00 0.00 C ATOM 1113 CG PRO A 75 -14.696 -8.636 10.448 1.00 0.00 C ATOM 1114 CD PRO A 75 -15.113 -8.319 9.039 1.00 0.00 C ATOM 0 HA PRO A 75 -16.704 -6.009 10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -15.024 -7.562 12.271 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -16.478 -8.245 11.570 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.634 -8.437 10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.857 -9.690 10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -14.279 -8.409 8.343 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -15.893 -8.995 8.689 1.00 0.00 H new ATOM 1122 N SER A 76 -15.168 -4.318 11.446 1.00 0.00 N ATOM 1123 CA SER A 76 -14.279 -3.237 11.853 1.00 0.00 C ATOM 1124 C SER A 76 -13.541 -3.595 13.139 1.00 0.00 C ATOM 1125 O SER A 76 -14.038 -3.359 14.240 1.00 0.00 O ATOM 1126 CB SER A 76 -15.072 -1.943 12.050 1.00 0.00 C ATOM 1127 OG SER A 76 -16.076 -2.106 13.037 1.00 0.00 O ATOM 0 H SER A 76 -16.157 -4.137 11.616 1.00 0.00 H new ATOM 0 HA SER A 76 -13.544 -3.088 11.062 1.00 0.00 H new ATOM 0 HB2 SER A 76 -14.396 -1.140 12.343 1.00 0.00 H new ATOM 0 HB3 SER A 76 -15.530 -1.646 11.106 1.00 0.00 H new ATOM 0 HG SER A 76 -15.709 -2.603 13.798 1.00 0.00 H new ATOM 1133 N SER A 77 -12.350 -4.166 12.991 1.00 0.00 N ATOM 1134 CA SER A 77 -11.543 -4.561 14.139 1.00 0.00 C ATOM 1135 C SER A 77 -12.359 -5.410 15.110 1.00 0.00 C ATOM 1136 O SER A 77 -12.404 -5.133 16.308 1.00 0.00 O ATOM 1137 CB SER A 77 -11.000 -3.324 14.858 1.00 0.00 C ATOM 1138 OG SER A 77 -10.217 -2.530 13.984 1.00 0.00 O ATOM 0 H SER A 77 -11.922 -4.365 12.087 1.00 0.00 H new ATOM 0 HA SER A 77 -10.706 -5.158 13.776 1.00 0.00 H new ATOM 0 HB2 SER A 77 -11.829 -2.733 15.248 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.398 -3.631 15.713 1.00 0.00 H new ATOM 0 HG SER A 77 -9.883 -1.745 14.466 1.00 0.00 H new ATOM 1144 N GLY A 78 -13.003 -6.447 14.582 1.00 0.00 N ATOM 1145 CA GLY A 78 -13.808 -7.321 15.415 1.00 0.00 C ATOM 1146 C GLY A 78 -13.071 -8.584 15.814 1.00 0.00 C ATOM 1147 O GLY A 78 -12.433 -8.632 16.866 1.00 0.00 O ATOM 0 H GLY A 78 -12.981 -6.697 13.593 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.112 -6.783 16.313 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.719 -7.589 14.880 1.00 0.00 H new TER 1151 GLY A 78