USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1101 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 70 MET CE :methyl -123:sc= -0.178 (180deg=-0.811) USER MOD Set 1.2: A 71 SER OG : rot 51:sc= 0.252 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.334 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 63:sc= 0.0824 USER MOD Single : A 14 TYR OH : rot 158:sc= 0.0695 USER MOD Single : A 15 ASN : amide:sc= -0.64 K(o=-0.64,f=-2.5) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.83 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 130:sc= -1.66 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0796 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 45 TYR OH : rot -87:sc= 1.98 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.28) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 52 CYS SG : rot -44:sc= -2.98! USER MOD Single : A 53 THR OG1 : rot 180:sc=0.000938 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 50:sc= 0.184 USER MOD Single : A 72 LYS NZ :NH3+ 167:sc= -0.0741 (180deg=-0.26) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -91:sc= 1.27 USER MOD Single : A 85 ASN : amide:sc=-0.00169 X(o=-0.0017,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= -0.474 USER MOD Single : A 90 GLN : amide:sc= -0.083 K(o=-0.083,f=-4.9!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 47:sc= 0.769 USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.406) USER MOD Single : A 99 THR OG1 : rot 70:sc= 0.133 USER MOD Single : A 102 LYS NZ :NH3+ -166:sc= 0.712 (180deg=0.599) USER MOD Single : A 106 GLN : amide:sc= -0.818 K(o=-0.82,f=-1.4) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.098) USER MOD Single : A 115 SER OG : rot 180:sc= -0.0815 USER MOD Single : A 118 LYS NZ :NH3+ -158:sc= -0.051 (180deg=-0.392) USER MOD Single : A 123 ASN : amide:sc= 0.192 X(o=0.19,f=-0.17) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0848) USER MOD Single : A 131 LYS NZ :NH3+ -139:sc= -0.091 (180deg=-0.128) USER MOD Single : A 136 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.58) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 141 THR OG1 : rot -58:sc= 0.353 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -3.178 -21.716 -10.309 1.00 0.00 N ATOM 2 CA ALA A 2 -4.081 -20.668 -10.859 1.00 0.00 C ATOM 3 C ALA A 2 -4.363 -19.585 -9.819 1.00 0.00 C ATOM 4 O ALA A 2 -4.742 -19.886 -8.685 1.00 0.00 O ATOM 5 CB ALA A 2 -5.385 -21.289 -11.345 1.00 0.00 C ATOM 0 HA ALA A 2 -3.578 -20.202 -11.706 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.033 -20.509 -11.744 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.172 -22.018 -12.127 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.884 -21.785 -10.513 1.00 0.00 H new ATOM 13 N THR A 3 -4.173 -18.326 -10.214 1.00 0.00 N ATOM 14 CA THR A 3 -4.402 -17.190 -9.324 1.00 0.00 C ATOM 15 C THR A 3 -5.449 -16.248 -9.909 1.00 0.00 C ATOM 16 O THR A 3 -5.516 -16.058 -11.126 1.00 0.00 O ATOM 17 CB THR A 3 -3.094 -16.429 -9.081 1.00 0.00 C ATOM 18 OG1 THR A 3 -2.014 -17.327 -8.875 1.00 0.00 O ATOM 19 CG2 THR A 3 -3.157 -15.501 -7.886 1.00 0.00 C ATOM 0 H THR A 3 -3.859 -18.067 -11.150 1.00 0.00 H new ATOM 0 HA THR A 3 -4.771 -17.574 -8.373 1.00 0.00 H new ATOM 0 HB THR A 3 -2.939 -15.831 -9.979 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.190 -16.818 -8.724 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.200 -14.993 -7.769 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.944 -14.762 -8.040 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.373 -16.079 -6.987 1.00 0.00 H new ATOM 27 N LYS A 4 -6.263 -15.662 -9.034 1.00 0.00 N ATOM 28 CA LYS A 4 -7.310 -14.738 -9.456 1.00 0.00 C ATOM 29 C LYS A 4 -7.326 -13.490 -8.577 1.00 0.00 C ATOM 30 O LYS A 4 -6.699 -13.456 -7.518 1.00 0.00 O ATOM 31 CB LYS A 4 -8.675 -15.429 -9.402 1.00 0.00 C ATOM 32 CG LYS A 4 -8.895 -16.437 -10.521 1.00 0.00 C ATOM 33 CD LYS A 4 -10.257 -16.260 -11.171 1.00 0.00 C ATOM 34 CE LYS A 4 -11.369 -16.853 -10.317 1.00 0.00 C ATOM 35 NZ LYS A 4 -12.717 -16.389 -10.752 1.00 0.00 N ATOM 0 H LYS A 4 -6.216 -15.812 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.100 -14.434 -10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.778 -15.936 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.458 -14.672 -9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.114 -16.323 -11.273 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.809 -17.448 -10.123 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.448 -15.199 -11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.257 -16.737 -12.151 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.326 -17.941 -10.370 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.210 -16.578 -9.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.444 -16.817 -10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.768 -15.353 -10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.880 -16.673 -11.739 1.00 0.00 H new ATOM 49 N ILE A 5 -8.057 -12.469 -9.023 1.00 0.00 N ATOM 50 CA ILE A 5 -8.171 -11.221 -8.275 1.00 0.00 C ATOM 51 C ILE A 5 -9.635 -10.906 -7.985 1.00 0.00 C ATOM 52 O ILE A 5 -10.455 -10.809 -8.901 1.00 0.00 O ATOM 53 CB ILE A 5 -7.522 -10.033 -9.026 1.00 0.00 C ATOM 54 CG1 ILE A 5 -7.588 -8.763 -8.169 1.00 0.00 C ATOM 55 CG2 ILE A 5 -8.193 -9.805 -10.375 1.00 0.00 C ATOM 56 CD1 ILE A 5 -6.347 -7.901 -8.263 1.00 0.00 C ATOM 0 H ILE A 5 -8.579 -12.483 -9.899 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.634 -11.359 -7.337 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.476 -10.277 -9.210 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.453 -8.174 -8.474 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.746 -9.045 -7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.717 -8.965 -10.881 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.093 -10.701 -10.987 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.250 -9.586 -10.223 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.466 -7.021 -7.631 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.481 -8.473 -7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.199 -7.588 -9.296 1.00 0.00 H new ATOM 68 N ASP A 6 -9.960 -10.755 -6.704 1.00 0.00 N ATOM 69 CA ASP A 6 -11.324 -10.458 -6.294 1.00 0.00 C ATOM 70 C ASP A 6 -11.669 -9.001 -6.579 1.00 0.00 C ATOM 71 O ASP A 6 -11.193 -8.090 -5.898 1.00 0.00 O ATOM 72 CB ASP A 6 -11.521 -10.765 -4.809 1.00 0.00 C ATOM 73 CG ASP A 6 -12.955 -11.127 -4.480 1.00 0.00 C ATOM 74 OD1 ASP A 6 -13.847 -10.273 -4.685 1.00 0.00 O ATOM 75 OD2 ASP A 6 -13.187 -12.265 -4.020 1.00 0.00 O ATOM 0 H ASP A 6 -9.296 -10.834 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.995 -11.093 -6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.866 -11.587 -4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.223 -9.898 -4.219 1.00 0.00 H new ATOM 80 N LYS A 7 -12.501 -8.790 -7.596 1.00 0.00 N ATOM 81 CA LYS A 7 -12.919 -7.444 -7.980 1.00 0.00 C ATOM 82 C LYS A 7 -13.853 -6.846 -6.929 1.00 0.00 C ATOM 83 O LYS A 7 -13.789 -5.650 -6.646 1.00 0.00 O ATOM 84 CB LYS A 7 -13.603 -7.465 -9.351 1.00 0.00 C ATOM 85 CG LYS A 7 -12.894 -6.612 -10.391 1.00 0.00 C ATOM 86 CD LYS A 7 -13.380 -6.922 -11.800 1.00 0.00 C ATOM 87 CE LYS A 7 -12.264 -7.486 -12.671 1.00 0.00 C ATOM 88 NZ LYS A 7 -11.929 -8.895 -12.315 1.00 0.00 N ATOM 0 H LYS A 7 -12.899 -9.534 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.030 -6.817 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.653 -8.494 -9.708 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.629 -7.115 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.061 -5.557 -10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.819 -6.783 -10.331 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.201 -7.637 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.774 -6.014 -12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.564 -7.439 -13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.374 -6.865 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.165 -9.237 -12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.618 -8.938 -11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.770 -9.494 -12.440 1.00 0.00 H new ATOM 102 N GLU A 8 -14.711 -7.689 -6.348 1.00 0.00 N ATOM 103 CA GLU A 8 -15.652 -7.251 -5.316 1.00 0.00 C ATOM 104 C GLU A 8 -14.911 -6.830 -4.044 1.00 0.00 C ATOM 105 O GLU A 8 -15.198 -5.779 -3.469 1.00 0.00 O ATOM 106 CB GLU A 8 -16.643 -8.375 -4.997 1.00 0.00 C ATOM 107 CG GLU A 8 -18.020 -7.883 -4.575 1.00 0.00 C ATOM 108 CD GLU A 8 -18.962 -9.018 -4.213 1.00 0.00 C ATOM 109 OE1 GLU A 8 -19.170 -9.913 -5.060 1.00 0.00 O ATOM 110 OE2 GLU A 8 -19.491 -9.012 -3.081 1.00 0.00 O ATOM 0 H GLU A 8 -14.773 -8.681 -6.576 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.199 -6.388 -5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.749 -9.012 -5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.230 -8.995 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.916 -7.215 -3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.456 -7.298 -5.385 1.00 0.00 H new ATOM 117 N ALA A 9 -13.956 -7.661 -3.611 1.00 0.00 N ATOM 118 CA ALA A 9 -13.172 -7.383 -2.409 1.00 0.00 C ATOM 119 C ALA A 9 -12.313 -6.134 -2.584 1.00 0.00 C ATOM 120 O ALA A 9 -12.341 -5.230 -1.747 1.00 0.00 O ATOM 121 CB ALA A 9 -12.294 -8.576 -2.050 1.00 0.00 C ATOM 0 H ALA A 9 -13.709 -8.533 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.873 -7.203 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.719 -8.348 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.922 -9.448 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.612 -8.787 -2.874 1.00 0.00 H new ATOM 127 N CYS A 10 -11.545 -6.095 -3.677 1.00 0.00 N ATOM 128 CA CYS A 10 -10.672 -4.961 -3.970 1.00 0.00 C ATOM 129 C CYS A 10 -11.457 -3.650 -3.997 1.00 0.00 C ATOM 130 O CYS A 10 -11.020 -2.644 -3.435 1.00 0.00 O ATOM 131 CB CYS A 10 -9.965 -5.170 -5.313 1.00 0.00 C ATOM 132 SG CYS A 10 -8.752 -3.891 -5.720 1.00 0.00 S ATOM 0 H CYS A 10 -11.512 -6.839 -4.374 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.928 -4.898 -3.176 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -9.465 -6.138 -5.301 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.715 -5.209 -6.103 1.00 0.00 H new ATOM 0 HG CYS A 10 -7.799 -3.899 -4.836 1.00 0.00 H new ATOM 138 N ARG A 11 -12.617 -3.671 -4.655 1.00 0.00 N ATOM 139 CA ARG A 11 -13.465 -2.484 -4.758 1.00 0.00 C ATOM 140 C ARG A 11 -14.009 -2.077 -3.389 1.00 0.00 C ATOM 141 O ARG A 11 -14.005 -0.894 -3.046 1.00 0.00 O ATOM 142 CB ARG A 11 -14.620 -2.734 -5.736 1.00 0.00 C ATOM 143 CG ARG A 11 -14.486 -1.964 -7.043 1.00 0.00 C ATOM 144 CD ARG A 11 -15.802 -1.922 -7.809 1.00 0.00 C ATOM 145 NE ARG A 11 -15.711 -2.601 -9.105 1.00 0.00 N ATOM 146 CZ ARG A 11 -16.586 -2.432 -10.102 1.00 0.00 C ATOM 147 NH1 ARG A 11 -17.631 -1.619 -9.957 1.00 0.00 N ATOM 148 NH2 ARG A 11 -16.416 -3.081 -11.249 1.00 0.00 N ATOM 0 H ARG A 11 -12.990 -4.496 -5.124 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.854 -1.665 -5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.675 -3.800 -5.956 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -15.559 -2.458 -5.256 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.154 -0.947 -6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.719 -2.429 -7.662 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -16.584 -2.389 -7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -16.097 -0.884 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.932 -3.242 -9.256 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -17.770 -1.118 -9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -18.293 -1.497 -10.724 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.619 -3.707 -11.368 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -17.082 -2.954 -12.011 1.00 0.00 H new ATOM 162 N ALA A 12 -14.470 -3.063 -2.610 1.00 0.00 N ATOM 163 CA ALA A 12 -15.012 -2.811 -1.272 1.00 0.00 C ATOM 164 C ALA A 12 -14.063 -1.944 -0.448 1.00 0.00 C ATOM 165 O ALA A 12 -14.476 -0.944 0.137 1.00 0.00 O ATOM 166 CB ALA A 12 -15.286 -4.124 -0.550 1.00 0.00 C ATOM 0 H ALA A 12 -14.478 -4.045 -2.886 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.952 -2.271 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.688 -3.917 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.008 -4.709 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.358 -4.687 -0.455 1.00 0.00 H new ATOM 172 N ALA A 13 -12.786 -2.327 -0.414 1.00 0.00 N ATOM 173 CA ALA A 13 -11.783 -1.570 0.327 1.00 0.00 C ATOM 174 C ALA A 13 -11.495 -0.238 -0.363 1.00 0.00 C ATOM 175 O ALA A 13 -11.278 0.778 0.296 1.00 0.00 O ATOM 176 CB ALA A 13 -10.502 -2.379 0.480 1.00 0.00 C ATOM 0 H ALA A 13 -12.425 -3.154 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.179 -1.364 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.768 -1.796 1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.716 -3.301 1.020 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.104 -2.620 -0.506 1.00 0.00 H new ATOM 182 N TYR A 14 -11.500 -0.254 -1.701 1.00 0.00 N ATOM 183 CA TYR A 14 -11.243 0.945 -2.497 1.00 0.00 C ATOM 184 C TYR A 14 -12.195 2.082 -2.123 1.00 0.00 C ATOM 185 O TYR A 14 -11.755 3.185 -1.794 1.00 0.00 O ATOM 186 CB TYR A 14 -11.379 0.628 -3.991 1.00 0.00 C ATOM 187 CG TYR A 14 -10.907 1.743 -4.898 1.00 0.00 C ATOM 188 CD1 TYR A 14 -11.676 2.886 -5.091 1.00 0.00 C ATOM 189 CD2 TYR A 14 -9.691 1.652 -5.562 1.00 0.00 C ATOM 190 CE1 TYR A 14 -11.246 3.904 -5.919 1.00 0.00 C ATOM 191 CE2 TYR A 14 -9.253 2.667 -6.391 1.00 0.00 C ATOM 192 CZ TYR A 14 -10.035 3.790 -6.566 1.00 0.00 C ATOM 193 OH TYR A 14 -9.603 4.801 -7.393 1.00 0.00 O ATOM 0 H TYR A 14 -11.681 -1.091 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.225 1.270 -2.284 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -10.810 -0.275 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -12.424 0.410 -4.213 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -12.625 2.979 -4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.077 0.773 -5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.856 4.785 -6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.304 2.582 -6.899 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.629 4.754 -7.486 1.00 0.00 H new ATOM 203 N ASN A 15 -13.502 1.810 -2.187 1.00 0.00 N ATOM 204 CA ASN A 15 -14.513 2.813 -1.867 1.00 0.00 C ATOM 205 C ASN A 15 -14.629 3.047 -0.356 1.00 0.00 C ATOM 206 O ASN A 15 -15.123 4.089 0.075 1.00 0.00 O ATOM 207 CB ASN A 15 -15.872 2.407 -2.451 1.00 0.00 C ATOM 208 CG ASN A 15 -16.328 1.021 -2.025 1.00 0.00 C ATOM 209 OD1 ASN A 15 -16.474 0.740 -0.837 1.00 0.00 O ATOM 210 ND2 ASN A 15 -16.571 0.147 -2.997 1.00 0.00 N ATOM 0 H ASN A 15 -13.881 0.903 -2.458 1.00 0.00 H new ATOM 0 HA ASN A 15 -14.197 3.753 -2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -16.622 3.137 -2.146 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -15.816 2.444 -3.539 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.890 -0.794 -2.768 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.438 0.418 -3.971 1.00 0.00 H new ATOM 217 N LEU A 16 -14.174 2.078 0.441 1.00 0.00 N ATOM 218 CA LEU A 16 -14.233 2.188 1.898 1.00 0.00 C ATOM 219 C LEU A 16 -13.164 3.145 2.427 1.00 0.00 C ATOM 220 O LEU A 16 -13.438 3.972 3.298 1.00 0.00 O ATOM 221 CB LEU A 16 -14.058 0.807 2.535 1.00 0.00 C ATOM 222 CG LEU A 16 -14.130 0.773 4.065 1.00 0.00 C ATOM 223 CD1 LEU A 16 -14.793 -0.511 4.536 1.00 0.00 C ATOM 224 CD2 LEU A 16 -12.739 0.914 4.674 1.00 0.00 C ATOM 0 H LEU A 16 -13.761 1.209 0.101 1.00 0.00 H new ATOM 0 HA LEU A 16 -15.210 2.590 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.826 0.143 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.095 0.402 2.225 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.734 1.616 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.836 -0.520 5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.804 -0.568 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.215 -1.367 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.813 0.887 5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.108 0.093 4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.300 1.862 4.364 1.00 0.00 H new ATOM 236 N VAL A 17 -11.945 3.021 1.901 1.00 0.00 N ATOM 237 CA VAL A 17 -10.834 3.869 2.331 1.00 0.00 C ATOM 238 C VAL A 17 -10.988 5.300 1.814 1.00 0.00 C ATOM 239 O VAL A 17 -10.703 6.257 2.536 1.00 0.00 O ATOM 240 CB VAL A 17 -9.473 3.304 1.871 1.00 0.00 C ATOM 241 CG1 VAL A 17 -8.328 4.076 2.514 1.00 0.00 C ATOM 242 CG2 VAL A 17 -9.368 1.822 2.201 1.00 0.00 C ATOM 0 H VAL A 17 -11.703 2.343 1.178 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.859 3.881 3.421 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.403 3.421 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.377 3.663 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.390 5.126 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.397 3.992 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.402 1.443 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.462 1.681 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.165 1.279 1.693 1.00 0.00 H new ATOM 252 N ARG A 18 -11.440 5.443 0.564 1.00 0.00 N ATOM 253 CA ARG A 18 -11.631 6.765 -0.038 1.00 0.00 C ATOM 254 C ARG A 18 -12.623 7.611 0.768 1.00 0.00 C ATOM 255 O ARG A 18 -12.566 8.842 0.730 1.00 0.00 O ATOM 256 CB ARG A 18 -12.106 6.637 -1.491 1.00 0.00 C ATOM 257 CG ARG A 18 -13.568 6.237 -1.634 1.00 0.00 C ATOM 258 CD ARG A 18 -14.029 6.314 -3.082 1.00 0.00 C ATOM 259 NE ARG A 18 -14.993 7.395 -3.297 1.00 0.00 N ATOM 260 CZ ARG A 18 -14.660 8.637 -3.669 1.00 0.00 C ATOM 261 NH1 ARG A 18 -13.384 8.966 -3.865 1.00 0.00 N ATOM 262 NH2 ARG A 18 -15.607 9.553 -3.846 1.00 0.00 N ATOM 0 H ARG A 18 -11.679 4.663 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.666 7.272 -0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.950 7.589 -1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.487 5.899 -2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.707 5.222 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.187 6.890 -1.019 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.165 6.465 -3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.480 5.364 -3.369 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.982 7.188 -3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.651 8.269 -3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.140 9.915 -4.148 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.586 9.309 -3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.354 10.500 -4.129 1.00 0.00 H new ATOM 276 N ASP A 19 -13.526 6.947 1.496 1.00 0.00 N ATOM 277 CA ASP A 19 -14.518 7.642 2.308 1.00 0.00 C ATOM 278 C ASP A 19 -13.858 8.333 3.494 1.00 0.00 C ATOM 279 O ASP A 19 -13.149 7.700 4.279 1.00 0.00 O ATOM 280 CB ASP A 19 -15.590 6.669 2.807 1.00 0.00 C ATOM 281 CG ASP A 19 -16.982 7.272 2.774 1.00 0.00 C ATOM 282 OD1 ASP A 19 -17.402 7.741 1.691 1.00 0.00 O ATOM 283 OD2 ASP A 19 -17.650 7.281 3.829 1.00 0.00 O ATOM 0 H ASP A 19 -13.587 5.930 1.537 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.992 8.397 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.573 5.768 2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.353 6.364 3.826 1.00 0.00 H new ATOM 288 N ASP A 20 -14.103 9.633 3.620 1.00 0.00 N ATOM 289 CA ASP A 20 -13.538 10.419 4.714 1.00 0.00 C ATOM 290 C ASP A 20 -14.473 10.433 5.929 1.00 0.00 C ATOM 291 O ASP A 20 -14.567 11.436 6.640 1.00 0.00 O ATOM 292 CB ASP A 20 -13.257 11.849 4.240 1.00 0.00 C ATOM 293 CG ASP A 20 -11.882 11.989 3.617 1.00 0.00 C ATOM 294 OD1 ASP A 20 -10.884 11.958 4.370 1.00 0.00 O ATOM 295 OD2 ASP A 20 -11.803 12.129 2.379 1.00 0.00 O ATOM 0 H ASP A 20 -14.689 10.166 2.978 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.601 9.953 5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.014 12.144 3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -13.342 12.533 5.085 1.00 0.00 H new ATOM 300 N GLY A 21 -15.159 9.311 6.166 1.00 0.00 N ATOM 301 CA GLY A 21 -16.070 9.215 7.294 1.00 0.00 C ATOM 302 C GLY A 21 -15.606 8.221 8.348 1.00 0.00 C ATOM 303 O GLY A 21 -15.863 8.416 9.537 1.00 0.00 O ATOM 0 H GLY A 21 -15.097 8.468 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.178 10.198 7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.056 8.921 6.934 1.00 0.00 H new ATOM 307 N SER A 22 -14.927 7.153 7.919 1.00 0.00 N ATOM 308 CA SER A 22 -14.437 6.133 8.842 1.00 0.00 C ATOM 309 C SER A 22 -12.952 6.322 9.141 1.00 0.00 C ATOM 310 O SER A 22 -12.226 6.941 8.361 1.00 0.00 O ATOM 311 CB SER A 22 -14.679 4.736 8.263 1.00 0.00 C ATOM 312 OG SER A 22 -15.871 4.169 8.779 1.00 0.00 O ATOM 0 H SER A 22 -14.706 6.975 6.939 1.00 0.00 H new ATOM 0 HA SER A 22 -14.987 6.236 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.742 4.795 7.176 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.834 4.090 8.499 1.00 0.00 H new ATOM 0 HG SER A 22 -16.004 3.278 8.393 1.00 0.00 H new ATOM 318 N ALA A 23 -12.503 5.774 10.272 1.00 0.00 N ATOM 319 CA ALA A 23 -11.100 5.871 10.675 1.00 0.00 C ATOM 320 C ALA A 23 -10.249 4.841 9.923 1.00 0.00 C ATOM 321 O ALA A 23 -9.612 3.979 10.531 1.00 0.00 O ATOM 322 CB ALA A 23 -10.966 5.687 12.183 1.00 0.00 C ATOM 0 H ALA A 23 -13.092 5.258 10.925 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.734 6.865 10.417 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.916 5.762 12.467 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.537 6.461 12.696 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.349 4.706 12.465 1.00 0.00 H new ATOM 328 N VAL A 24 -10.255 4.937 8.592 1.00 0.00 N ATOM 329 CA VAL A 24 -9.499 4.019 7.744 1.00 0.00 C ATOM 330 C VAL A 24 -8.636 4.784 6.740 1.00 0.00 C ATOM 331 O VAL A 24 -9.152 5.377 5.791 1.00 0.00 O ATOM 332 CB VAL A 24 -10.446 3.063 6.977 1.00 0.00 C ATOM 333 CG1 VAL A 24 -9.653 2.089 6.114 1.00 0.00 C ATOM 334 CG2 VAL A 24 -11.350 2.308 7.945 1.00 0.00 C ATOM 0 H VAL A 24 -10.778 5.646 8.078 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.853 3.433 8.398 1.00 0.00 H new ATOM 0 HB VAL A 24 -11.074 3.665 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.340 1.428 5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.057 2.646 5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -8.994 1.495 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.007 1.642 7.385 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.739 1.722 8.632 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.951 3.019 8.511 1.00 0.00 H new ATOM 344 N ILE A 25 -7.319 4.769 6.956 1.00 0.00 N ATOM 345 CA ILE A 25 -6.386 5.466 6.065 1.00 0.00 C ATOM 346 C ILE A 25 -5.602 4.495 5.179 1.00 0.00 C ATOM 347 O ILE A 25 -5.219 4.844 4.062 1.00 0.00 O ATOM 348 CB ILE A 25 -5.389 6.352 6.848 1.00 0.00 C ATOM 349 CG1 ILE A 25 -4.523 5.506 7.791 1.00 0.00 C ATOM 350 CG2 ILE A 25 -6.132 7.427 7.627 1.00 0.00 C ATOM 351 CD1 ILE A 25 -3.038 5.755 7.635 1.00 0.00 C ATOM 0 H ILE A 25 -6.875 4.285 7.736 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.003 6.102 5.431 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.729 6.836 6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.812 5.714 8.821 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.727 4.451 7.610 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.416 8.042 8.172 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.695 8.053 6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.818 6.957 8.332 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.488 5.123 8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.735 5.519 6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.821 6.802 7.845 1.00 0.00 H new ATOM 363 N TRP A 26 -5.363 3.278 5.678 1.00 0.00 N ATOM 364 CA TRP A 26 -4.622 2.273 4.922 1.00 0.00 C ATOM 365 C TRP A 26 -5.305 0.908 5.001 1.00 0.00 C ATOM 366 O TRP A 26 -6.041 0.621 5.949 1.00 0.00 O ATOM 367 CB TRP A 26 -3.174 2.168 5.430 1.00 0.00 C ATOM 368 CG TRP A 26 -3.048 1.606 6.817 1.00 0.00 C ATOM 369 CD1 TRP A 26 -2.791 2.298 7.965 1.00 0.00 C ATOM 370 CD2 TRP A 26 -3.167 0.228 7.200 1.00 0.00 C ATOM 371 NE1 TRP A 26 -2.753 1.439 9.036 1.00 0.00 N ATOM 372 CE2 TRP A 26 -2.981 0.165 8.593 1.00 0.00 C ATOM 373 CE3 TRP A 26 -3.418 -0.956 6.503 1.00 0.00 C ATOM 374 CZ2 TRP A 26 -3.037 -1.033 9.299 1.00 0.00 C ATOM 375 CZ3 TRP A 26 -3.475 -2.144 7.204 1.00 0.00 C ATOM 376 CH2 TRP A 26 -3.288 -2.175 8.587 1.00 0.00 C ATOM 0 H TRP A 26 -5.672 2.969 6.600 1.00 0.00 H new ATOM 0 HA TRP A 26 -4.607 2.589 3.879 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.604 1.542 4.743 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.721 3.159 5.409 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.640 3.366 8.023 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -2.582 1.708 10.005 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -3.565 -0.942 5.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -2.888 -1.061 10.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.667 -3.065 6.673 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.343 -3.120 9.106 1.00 0.00 H new ATOM 387 N VAL A 27 -5.036 0.072 4.001 1.00 0.00 N ATOM 388 CA VAL A 27 -5.593 -1.276 3.935 1.00 0.00 C ATOM 389 C VAL A 27 -4.549 -2.253 3.398 1.00 0.00 C ATOM 390 O VAL A 27 -3.694 -1.873 2.593 1.00 0.00 O ATOM 391 CB VAL A 27 -6.852 -1.337 3.044 1.00 0.00 C ATOM 392 CG1 VAL A 27 -8.006 -0.596 3.702 1.00 0.00 C ATOM 393 CG2 VAL A 27 -6.564 -0.774 1.658 1.00 0.00 C ATOM 0 H VAL A 27 -4.428 0.309 3.217 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.879 -1.556 4.949 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.139 -2.382 2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.886 -0.649 3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.231 -1.055 4.665 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.729 0.447 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -7.466 -0.828 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.247 0.265 1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.772 -1.356 1.186 1.00 0.00 H new ATOM 403 N THR A 28 -4.615 -3.507 3.838 1.00 0.00 N ATOM 404 CA THR A 28 -3.657 -4.517 3.379 1.00 0.00 C ATOM 405 C THR A 28 -4.205 -5.265 2.170 1.00 0.00 C ATOM 406 O THR A 28 -5.343 -5.043 1.761 1.00 0.00 O ATOM 407 CB THR A 28 -3.325 -5.520 4.497 1.00 0.00 C ATOM 408 OG1 THR A 28 -3.404 -4.916 5.775 1.00 0.00 O ATOM 409 CG2 THR A 28 -1.941 -6.120 4.371 1.00 0.00 C ATOM 0 H THR A 28 -5.310 -3.848 4.502 1.00 0.00 H new ATOM 0 HA THR A 28 -2.742 -3.996 3.096 1.00 0.00 H new ATOM 0 HB THR A 28 -4.069 -6.310 4.390 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.898 -5.451 6.422 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.771 -6.818 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.859 -6.648 3.421 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.195 -5.326 4.410 1.00 0.00 H new ATOM 417 N PHE A 29 -3.391 -6.154 1.607 1.00 0.00 N ATOM 418 CA PHE A 29 -3.796 -6.950 0.456 1.00 0.00 C ATOM 419 C PHE A 29 -3.182 -8.343 0.543 1.00 0.00 C ATOM 420 O PHE A 29 -1.984 -8.522 0.308 1.00 0.00 O ATOM 421 CB PHE A 29 -3.391 -6.263 -0.849 1.00 0.00 C ATOM 422 CG PHE A 29 -4.480 -5.411 -1.437 1.00 0.00 C ATOM 423 CD1 PHE A 29 -4.818 -4.194 -0.862 1.00 0.00 C ATOM 424 CD2 PHE A 29 -5.168 -5.828 -2.565 1.00 0.00 C ATOM 425 CE1 PHE A 29 -5.822 -3.412 -1.402 1.00 0.00 C ATOM 426 CE2 PHE A 29 -6.172 -5.049 -3.110 1.00 0.00 C ATOM 427 CZ PHE A 29 -6.498 -3.839 -2.528 1.00 0.00 C ATOM 0 H PHE A 29 -2.443 -6.340 1.933 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.882 -7.044 0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.513 -5.643 -0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.101 -7.022 -1.576 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.291 -3.854 0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.917 -6.773 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.077 -2.468 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.701 -5.386 -3.989 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.280 -3.228 -2.953 1.00 0.00 H new ATOM 437 N LYS A 30 -4.011 -9.322 0.898 1.00 0.00 N ATOM 438 CA LYS A 30 -3.562 -10.704 1.036 1.00 0.00 C ATOM 439 C LYS A 30 -4.413 -11.653 0.195 1.00 0.00 C ATOM 440 O LYS A 30 -5.332 -11.231 -0.507 1.00 0.00 O ATOM 441 CB LYS A 30 -3.594 -11.136 2.508 1.00 0.00 C ATOM 442 CG LYS A 30 -4.969 -11.037 3.154 1.00 0.00 C ATOM 443 CD LYS A 30 -5.079 -9.809 4.043 1.00 0.00 C ATOM 444 CE LYS A 30 -4.525 -10.078 5.435 1.00 0.00 C ATOM 445 NZ LYS A 30 -3.555 -9.030 5.868 1.00 0.00 N ATOM 0 H LYS A 30 -5.002 -9.182 1.096 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.536 -10.755 0.672 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.243 -12.165 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.894 -10.520 3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.734 -10.996 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.160 -11.933 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.537 -8.980 3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.123 -9.505 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.348 -10.126 6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.035 -11.052 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.204 -9.254 6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.756 -9.000 5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.028 -8.104 5.882 1.00 0.00 H new ATOM 459 N TYR A 31 -4.088 -12.940 0.270 1.00 0.00 N ATOM 460 CA TYR A 31 -4.808 -13.961 -0.480 1.00 0.00 C ATOM 461 C TYR A 31 -6.068 -14.414 0.257 1.00 0.00 C ATOM 462 O TYR A 31 -6.221 -14.177 1.458 1.00 0.00 O ATOM 463 CB TYR A 31 -3.900 -15.164 -0.723 1.00 0.00 C ATOM 464 CG TYR A 31 -3.114 -15.092 -2.010 1.00 0.00 C ATOM 465 CD1 TYR A 31 -3.757 -15.085 -3.243 1.00 0.00 C ATOM 466 CD2 TYR A 31 -1.729 -15.045 -1.991 1.00 0.00 C ATOM 467 CE1 TYR A 31 -3.036 -15.033 -4.419 1.00 0.00 C ATOM 468 CE2 TYR A 31 -1.001 -14.996 -3.163 1.00 0.00 C ATOM 469 CZ TYR A 31 -1.659 -14.990 -4.374 1.00 0.00 C ATOM 470 OH TYR A 31 -0.938 -14.945 -5.544 1.00 0.00 O ATOM 0 H TYR A 31 -3.327 -13.301 0.846 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.109 -13.525 -1.433 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.204 -15.255 0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -4.508 -16.069 -0.731 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.836 -15.121 -3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -1.211 -15.047 -1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.548 -15.026 -5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.078 -14.963 -3.131 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.284 -14.216 -5.498 1.00 0.00 H new ATOM 480 N ASP A 32 -6.955 -15.078 -0.480 1.00 0.00 N ATOM 481 CA ASP A 32 -8.204 -15.593 0.071 1.00 0.00 C ATOM 482 C ASP A 32 -8.591 -16.888 -0.644 1.00 0.00 C ATOM 483 O ASP A 32 -9.361 -16.872 -1.607 1.00 0.00 O ATOM 484 CB ASP A 32 -9.320 -14.551 -0.073 1.00 0.00 C ATOM 485 CG ASP A 32 -10.053 -14.295 1.233 1.00 0.00 C ATOM 486 OD1 ASP A 32 -9.396 -13.894 2.218 1.00 0.00 O ATOM 487 OD2 ASP A 32 -11.285 -14.494 1.269 1.00 0.00 O ATOM 0 H ASP A 32 -6.828 -15.273 -1.473 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.063 -15.802 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.894 -13.616 -0.435 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.033 -14.889 -0.825 1.00 0.00 H new ATOM 492 N GLY A 33 -8.034 -18.007 -0.178 1.00 0.00 N ATOM 493 CA GLY A 33 -8.319 -19.296 -0.793 1.00 0.00 C ATOM 494 C GLY A 33 -7.599 -19.474 -2.119 1.00 0.00 C ATOM 495 O GLY A 33 -6.681 -20.288 -2.229 1.00 0.00 O ATOM 0 H GLY A 33 -7.391 -18.044 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.024 -20.094 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.393 -19.392 -0.950 1.00 0.00 H new ATOM 499 N SER A 34 -8.013 -18.701 -3.123 1.00 0.00 N ATOM 500 CA SER A 34 -7.405 -18.760 -4.453 1.00 0.00 C ATOM 501 C SER A 34 -7.630 -17.450 -5.216 1.00 0.00 C ATOM 502 O SER A 34 -7.801 -17.451 -6.438 1.00 0.00 O ATOM 503 CB SER A 34 -7.967 -19.947 -5.249 1.00 0.00 C ATOM 504 OG SER A 34 -9.316 -20.217 -4.900 1.00 0.00 O ATOM 0 H SER A 34 -8.771 -18.023 -3.040 1.00 0.00 H new ATOM 0 HA SER A 34 -6.331 -18.901 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.902 -19.734 -6.316 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.358 -20.832 -5.063 1.00 0.00 H new ATOM 0 HG SER A 34 -9.644 -20.976 -5.425 1.00 0.00 H new ATOM 510 N THR A 35 -7.625 -16.330 -4.487 1.00 0.00 N ATOM 511 CA THR A 35 -7.826 -15.019 -5.098 1.00 0.00 C ATOM 512 C THR A 35 -7.266 -13.903 -4.213 1.00 0.00 C ATOM 513 O THR A 35 -7.091 -14.078 -3.006 1.00 0.00 O ATOM 514 CB THR A 35 -9.314 -14.781 -5.376 1.00 0.00 C ATOM 515 OG1 THR A 35 -9.515 -13.516 -5.985 1.00 0.00 O ATOM 516 CG2 THR A 35 -10.182 -14.842 -4.134 1.00 0.00 C ATOM 0 H THR A 35 -7.484 -16.308 -3.477 1.00 0.00 H new ATOM 0 HA THR A 35 -7.284 -15.004 -6.043 1.00 0.00 H new ATOM 0 HB THR A 35 -9.613 -15.592 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.471 -13.383 -6.156 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.222 -14.664 -4.408 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.091 -15.826 -3.674 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.858 -14.079 -3.426 1.00 0.00 H new ATOM 524 N ILE A 36 -6.988 -12.758 -4.830 1.00 0.00 N ATOM 525 CA ILE A 36 -6.447 -11.601 -4.120 1.00 0.00 C ATOM 526 C ILE A 36 -7.563 -10.772 -3.488 1.00 0.00 C ATOM 527 O ILE A 36 -8.578 -10.492 -4.130 1.00 0.00 O ATOM 528 CB ILE A 36 -5.629 -10.696 -5.064 1.00 0.00 C ATOM 529 CG1 ILE A 36 -4.625 -11.521 -5.871 1.00 0.00 C ATOM 530 CG2 ILE A 36 -4.911 -9.609 -4.275 1.00 0.00 C ATOM 531 CD1 ILE A 36 -4.566 -11.140 -7.334 1.00 0.00 C ATOM 0 H ILE A 36 -7.130 -12.605 -5.829 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.794 -11.987 -3.337 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.319 -10.220 -5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.634 -11.402 -5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.885 -12.576 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.339 -8.981 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.644 -8.998 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.235 -10.069 -3.554 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.833 -11.766 -7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.546 -11.286 -7.788 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.276 -10.093 -7.426 1.00 0.00 H new ATOM 543 N VAL A 37 -7.365 -10.379 -2.228 1.00 0.00 N ATOM 544 CA VAL A 37 -8.348 -9.575 -1.500 1.00 0.00 C ATOM 545 C VAL A 37 -7.660 -8.629 -0.512 1.00 0.00 C ATOM 546 O VAL A 37 -6.529 -8.877 -0.093 1.00 0.00 O ATOM 547 CB VAL A 37 -9.346 -10.467 -0.725 1.00 0.00 C ATOM 548 CG1 VAL A 37 -10.159 -11.326 -1.684 1.00 0.00 C ATOM 549 CG2 VAL A 37 -8.620 -11.336 0.293 1.00 0.00 C ATOM 0 H VAL A 37 -6.529 -10.606 -1.689 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.893 -8.993 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.033 -9.815 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.854 -11.945 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.717 -10.683 -2.364 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.488 -11.965 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.343 -11.954 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -7.903 -11.977 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.093 -10.700 1.004 1.00 0.00 H new ATOM 559 N PRO A 38 -8.333 -7.532 -0.117 1.00 0.00 N ATOM 560 CA PRO A 38 -7.770 -6.565 0.836 1.00 0.00 C ATOM 561 C PRO A 38 -7.579 -7.172 2.230 1.00 0.00 C ATOM 562 O PRO A 38 -8.020 -8.293 2.495 1.00 0.00 O ATOM 563 CB PRO A 38 -8.812 -5.443 0.868 1.00 0.00 C ATOM 564 CG PRO A 38 -10.081 -6.087 0.427 1.00 0.00 C ATOM 565 CD PRO A 38 -9.687 -7.152 -0.557 1.00 0.00 C ATOM 0 HA PRO A 38 -6.778 -6.225 0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.909 -5.022 1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.532 -4.625 0.204 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.615 -6.517 1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.748 -5.358 -0.033 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.372 -7.999 -0.529 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.687 -6.775 -1.580 1.00 0.00 H new ATOM 573 N GLY A 39 -6.912 -6.431 3.113 1.00 0.00 N ATOM 574 CA GLY A 39 -6.663 -6.907 4.452 1.00 0.00 C ATOM 575 C GLY A 39 -6.916 -5.846 5.501 1.00 0.00 C ATOM 576 O GLY A 39 -7.730 -4.946 5.297 1.00 0.00 O ATOM 0 H GLY A 39 -6.539 -5.502 2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.299 -7.769 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.630 -7.248 4.527 1.00 0.00 H new ATOM 580 N GLU A 40 -6.203 -5.961 6.618 1.00 0.00 N ATOM 581 CA GLU A 40 -6.319 -5.037 7.747 1.00 0.00 C ATOM 582 C GLU A 40 -6.556 -3.600 7.295 1.00 0.00 C ATOM 583 O GLU A 40 -5.969 -3.138 6.317 1.00 0.00 O ATOM 584 CB GLU A 40 -5.063 -5.109 8.618 1.00 0.00 C ATOM 585 CG GLU A 40 -5.298 -5.745 9.981 1.00 0.00 C ATOM 586 CD GLU A 40 -5.069 -4.776 11.129 1.00 0.00 C ATOM 587 OE1 GLU A 40 -5.643 -3.665 11.096 1.00 0.00 O ATOM 588 OE2 GLU A 40 -4.316 -5.130 12.060 1.00 0.00 O ATOM 0 H GLU A 40 -5.521 -6.705 6.768 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.188 -5.345 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.297 -5.677 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.672 -4.102 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.319 -6.124 10.029 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.634 -6.602 10.097 1.00 0.00 H new ATOM 595 N GLN A 41 -7.422 -2.908 8.026 1.00 0.00 N ATOM 596 CA GLN A 41 -7.759 -1.517 7.732 1.00 0.00 C ATOM 597 C GLN A 41 -7.768 -0.694 9.018 1.00 0.00 C ATOM 598 O GLN A 41 -8.730 -0.744 9.789 1.00 0.00 O ATOM 599 CB GLN A 41 -9.126 -1.419 7.039 1.00 0.00 C ATOM 600 CG GLN A 41 -9.456 -2.610 6.150 1.00 0.00 C ATOM 601 CD GLN A 41 -10.702 -2.389 5.310 1.00 0.00 C ATOM 602 OE1 GLN A 41 -11.766 -2.058 5.831 1.00 0.00 O ATOM 603 NE2 GLN A 41 -10.578 -2.575 3.999 1.00 0.00 N ATOM 0 H GLN A 41 -7.909 -3.291 8.836 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.001 -1.119 7.057 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.901 -1.320 7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.152 -0.511 6.437 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.611 -2.812 5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.594 -3.495 6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.678 -2.849 3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.383 -2.443 3.387 1.00 0.00 H new ATOM 612 N GLY A 42 -6.691 0.053 9.249 1.00 0.00 N ATOM 613 CA GLY A 42 -6.597 0.864 10.451 1.00 0.00 C ATOM 614 C GLY A 42 -6.102 2.269 10.183 1.00 0.00 C ATOM 615 O GLY A 42 -5.497 2.538 9.143 1.00 0.00 O ATOM 0 H GLY A 42 -5.884 0.111 8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.577 0.915 10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.926 0.378 11.159 1.00 0.00 H new ATOM 619 N ALA A 43 -6.348 3.165 11.136 1.00 0.00 N ATOM 620 CA ALA A 43 -5.910 4.551 11.019 1.00 0.00 C ATOM 621 C ALA A 43 -4.441 4.684 11.418 1.00 0.00 C ATOM 622 O ALA A 43 -3.742 5.586 10.951 1.00 0.00 O ATOM 623 CB ALA A 43 -6.777 5.461 11.876 1.00 0.00 C ATOM 0 H ALA A 43 -6.849 2.954 11.999 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.015 4.856 9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.434 6.491 11.775 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.814 5.390 11.548 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.705 5.155 12.920 1.00 0.00 H new ATOM 629 N GLU A 44 -3.980 3.774 12.279 1.00 0.00 N ATOM 630 CA GLU A 44 -2.595 3.779 12.739 1.00 0.00 C ATOM 631 C GLU A 44 -1.753 2.819 11.909 1.00 0.00 C ATOM 632 O GLU A 44 -2.057 1.626 11.827 1.00 0.00 O ATOM 633 CB GLU A 44 -2.519 3.390 14.218 1.00 0.00 C ATOM 634 CG GLU A 44 -3.166 4.402 15.151 1.00 0.00 C ATOM 635 CD GLU A 44 -2.787 4.189 16.605 1.00 0.00 C ATOM 636 OE1 GLU A 44 -2.801 3.024 17.060 1.00 0.00 O ATOM 637 OE2 GLU A 44 -2.477 5.187 17.289 1.00 0.00 O ATOM 0 H GLU A 44 -4.549 3.024 12.671 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.201 4.788 12.619 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.002 2.422 14.355 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.473 3.267 14.499 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.874 5.407 14.848 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.250 4.341 15.050 1.00 0.00 H new ATOM 644 N TYR A 45 -0.700 3.343 11.288 1.00 0.00 N ATOM 645 CA TYR A 45 0.186 2.529 10.458 1.00 0.00 C ATOM 646 C TYR A 45 0.988 1.528 11.291 1.00 0.00 C ATOM 647 O TYR A 45 1.518 0.558 10.749 1.00 0.00 O ATOM 648 CB TYR A 45 1.138 3.416 9.659 1.00 0.00 C ATOM 649 CG TYR A 45 1.745 2.719 8.466 1.00 0.00 C ATOM 650 CD1 TYR A 45 1.002 2.503 7.314 1.00 0.00 C ATOM 651 CD2 TYR A 45 3.060 2.279 8.491 1.00 0.00 C ATOM 652 CE1 TYR A 45 1.553 1.869 6.218 1.00 0.00 C ATOM 653 CE2 TYR A 45 3.621 1.646 7.401 1.00 0.00 C ATOM 654 CZ TYR A 45 2.862 1.442 6.265 1.00 0.00 C ATOM 655 OH TYR A 45 3.414 0.811 5.170 1.00 0.00 O ATOM 0 H TYR A 45 -0.439 4.327 11.343 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.446 1.966 9.771 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.600 4.301 9.319 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.937 3.762 10.314 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.024 2.836 7.274 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.655 2.435 9.379 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.961 1.709 5.329 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.647 1.312 7.436 1.00 0.00 H new ATOM 0 HH TYR A 45 3.223 -0.149 5.215 1.00 0.00 H new ATOM 665 N GLN A 46 1.076 1.761 12.607 1.00 0.00 N ATOM 666 CA GLN A 46 1.811 0.866 13.503 1.00 0.00 C ATOM 667 C GLN A 46 1.434 -0.595 13.248 1.00 0.00 C ATOM 668 O GLN A 46 2.295 -1.476 13.257 1.00 0.00 O ATOM 669 CB GLN A 46 1.523 1.225 14.963 1.00 0.00 C ATOM 670 CG GLN A 46 2.753 1.674 15.735 1.00 0.00 C ATOM 671 CD GLN A 46 2.844 1.027 17.105 1.00 0.00 C ATOM 672 OE1 GLN A 46 1.998 1.260 17.968 1.00 0.00 O ATOM 673 NE2 GLN A 46 3.870 0.209 17.314 1.00 0.00 N ATOM 0 H GLN A 46 0.647 2.561 13.072 1.00 0.00 H new ATOM 0 HA GLN A 46 2.875 0.990 13.304 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.776 2.019 14.992 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.088 0.359 15.462 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.647 1.431 15.161 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.732 2.758 15.849 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.549 0.043 16.571 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.978 -0.253 18.217 1.00 0.00 H new ATOM 682 N HIS A 47 0.141 -0.841 13.011 1.00 0.00 N ATOM 683 CA HIS A 47 -0.357 -2.189 12.741 1.00 0.00 C ATOM 684 C HIS A 47 0.281 -2.772 11.484 1.00 0.00 C ATOM 685 O HIS A 47 0.611 -3.959 11.445 1.00 0.00 O ATOM 686 CB HIS A 47 -1.880 -2.175 12.583 1.00 0.00 C ATOM 687 CG HIS A 47 -2.625 -2.459 13.850 1.00 0.00 C ATOM 688 ND1 HIS A 47 -2.032 -2.467 15.096 1.00 0.00 N ATOM 689 CD2 HIS A 47 -3.930 -2.742 14.055 1.00 0.00 C ATOM 690 CE1 HIS A 47 -2.940 -2.746 16.011 1.00 0.00 C ATOM 691 NE2 HIS A 47 -4.101 -2.916 15.406 1.00 0.00 N ATOM 0 H HIS A 47 -0.580 -0.119 13.001 1.00 0.00 H new ATOM 0 HA HIS A 47 -0.087 -2.817 13.590 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.187 -1.200 12.204 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.164 -2.913 11.833 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.696 -2.817 13.297 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.764 -2.822 17.074 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.982 -3.140 15.868 1.00 0.00 H new ATOM 700 N PHE A 48 0.454 -1.936 10.455 1.00 0.00 N ATOM 701 CA PHE A 48 1.054 -2.387 9.206 1.00 0.00 C ATOM 702 C PHE A 48 2.519 -2.765 9.411 1.00 0.00 C ATOM 703 O PHE A 48 2.954 -3.828 8.973 1.00 0.00 O ATOM 704 CB PHE A 48 0.934 -1.311 8.122 1.00 0.00 C ATOM 705 CG PHE A 48 1.276 -1.821 6.754 1.00 0.00 C ATOM 706 CD1 PHE A 48 2.585 -1.801 6.300 1.00 0.00 C ATOM 707 CD2 PHE A 48 0.290 -2.328 5.924 1.00 0.00 C ATOM 708 CE1 PHE A 48 2.904 -2.277 5.044 1.00 0.00 C ATOM 709 CE2 PHE A 48 0.603 -2.806 4.668 1.00 0.00 C ATOM 710 CZ PHE A 48 1.912 -2.781 4.227 1.00 0.00 C ATOM 0 H PHE A 48 0.188 -0.951 10.466 1.00 0.00 H new ATOM 0 HA PHE A 48 0.510 -3.272 8.877 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.084 -0.921 8.115 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.593 -0.478 8.369 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.365 -1.409 6.936 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.735 -2.349 6.264 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.928 -2.255 4.701 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.175 -3.199 4.030 1.00 0.00 H new ATOM 0 HZ PHE A 48 2.159 -3.155 3.244 1.00 0.00 H new ATOM 720 N ILE A 49 3.272 -1.894 10.087 1.00 0.00 N ATOM 721 CA ILE A 49 4.689 -2.146 10.360 1.00 0.00 C ATOM 722 C ILE A 49 4.868 -3.450 11.141 1.00 0.00 C ATOM 723 O ILE A 49 5.812 -4.204 10.899 1.00 0.00 O ATOM 724 CB ILE A 49 5.333 -0.987 11.158 1.00 0.00 C ATOM 725 CG1 ILE A 49 5.044 0.360 10.487 1.00 0.00 C ATOM 726 CG2 ILE A 49 6.837 -1.196 11.301 1.00 0.00 C ATOM 727 CD1 ILE A 49 4.736 1.468 11.470 1.00 0.00 C ATOM 0 H ILE A 49 2.924 -1.009 10.455 1.00 0.00 H new ATOM 0 HA ILE A 49 5.188 -2.225 9.394 1.00 0.00 H new ATOM 0 HB ILE A 49 4.891 -0.979 12.154 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.905 0.649 9.884 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.201 0.244 9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.267 -0.369 11.865 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.026 -2.132 11.828 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.294 -1.237 10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.541 2.393 10.927 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.857 1.200 12.057 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.587 1.611 12.136 1.00 0.00 H new ATOM 739 N GLN A 50 3.950 -3.703 12.077 1.00 0.00 N ATOM 740 CA GLN A 50 3.989 -4.912 12.900 1.00 0.00 C ATOM 741 C GLN A 50 3.797 -6.172 12.057 1.00 0.00 C ATOM 742 O GLN A 50 4.404 -7.208 12.334 1.00 0.00 O ATOM 743 CB GLN A 50 2.909 -4.848 13.982 1.00 0.00 C ATOM 744 CG GLN A 50 3.423 -4.367 15.328 1.00 0.00 C ATOM 745 CD GLN A 50 2.632 -4.941 16.488 1.00 0.00 C ATOM 746 OE1 GLN A 50 2.869 -6.070 16.915 1.00 0.00 O ATOM 747 NE2 GLN A 50 1.682 -4.168 17.003 1.00 0.00 N ATOM 0 H GLN A 50 3.167 -3.083 12.284 1.00 0.00 H new ATOM 0 HA GLN A 50 4.973 -4.962 13.367 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.112 -4.184 13.649 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.469 -5.838 14.103 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.472 -4.645 15.434 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.377 -3.279 15.364 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.518 -3.237 16.619 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.117 -4.505 17.782 1.00 0.00 H new ATOM 756 N GLN A 51 2.947 -6.081 11.033 1.00 0.00 N ATOM 757 CA GLN A 51 2.674 -7.219 10.156 1.00 0.00 C ATOM 758 C GLN A 51 3.651 -7.276 8.975 1.00 0.00 C ATOM 759 O GLN A 51 3.863 -8.343 8.395 1.00 0.00 O ATOM 760 CB GLN A 51 1.230 -7.161 9.646 1.00 0.00 C ATOM 761 CG GLN A 51 0.249 -7.932 10.519 1.00 0.00 C ATOM 762 CD GLN A 51 -0.153 -7.165 11.769 1.00 0.00 C ATOM 763 OE1 GLN A 51 -1.172 -6.474 11.783 1.00 0.00 O ATOM 764 NE2 GLN A 51 0.647 -7.283 12.826 1.00 0.00 N ATOM 0 H GLN A 51 2.437 -5.232 10.791 1.00 0.00 H new ATOM 0 HA GLN A 51 2.812 -8.127 10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 51 0.914 -6.119 9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 51 1.194 -7.560 8.632 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.643 -8.164 9.938 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.697 -8.882 10.809 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.482 -7.866 12.771 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.425 -6.790 13.691 1.00 0.00 H new ATOM 773 N CYS A 52 4.242 -6.130 8.620 1.00 0.00 N ATOM 774 CA CYS A 52 5.189 -6.058 7.507 1.00 0.00 C ATOM 775 C CYS A 52 6.533 -6.695 7.880 1.00 0.00 C ATOM 776 O CYS A 52 7.483 -6.001 8.248 1.00 0.00 O ATOM 777 CB CYS A 52 5.392 -4.599 7.075 1.00 0.00 C ATOM 778 SG CYS A 52 5.447 -4.363 5.284 1.00 0.00 S ATOM 0 H CYS A 52 4.079 -5.239 9.090 1.00 0.00 H new ATOM 0 HA CYS A 52 4.771 -6.620 6.672 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.584 -3.993 7.486 1.00 0.00 H new ATOM 0 HB3 CYS A 52 6.321 -4.228 7.509 1.00 0.00 H new ATOM 0 HG CYS A 52 6.185 -5.289 4.747 1.00 0.00 H new ATOM 784 N THR A 53 6.598 -8.023 7.777 1.00 0.00 N ATOM 785 CA THR A 53 7.817 -8.769 8.093 1.00 0.00 C ATOM 786 C THR A 53 8.448 -9.332 6.822 1.00 0.00 C ATOM 787 O THR A 53 7.743 -9.696 5.879 1.00 0.00 O ATOM 788 CB THR A 53 7.513 -9.908 9.071 1.00 0.00 C ATOM 789 OG1 THR A 53 6.231 -10.462 8.823 1.00 0.00 O ATOM 790 CG2 THR A 53 7.554 -9.477 10.521 1.00 0.00 C ATOM 0 H THR A 53 5.817 -8.606 7.476 1.00 0.00 H new ATOM 0 HA THR A 53 8.522 -8.082 8.561 1.00 0.00 H new ATOM 0 HB THR A 53 8.298 -10.646 8.903 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.060 -11.188 9.459 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.330 -10.331 11.161 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.547 -9.096 10.759 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.815 -8.694 10.689 1.00 0.00 H new ATOM 798 N ASP A 54 9.779 -9.396 6.800 1.00 0.00 N ATOM 799 CA ASP A 54 10.498 -9.908 5.633 1.00 0.00 C ATOM 800 C ASP A 54 10.505 -11.438 5.609 1.00 0.00 C ATOM 801 O ASP A 54 11.542 -12.072 5.818 1.00 0.00 O ATOM 802 CB ASP A 54 11.930 -9.360 5.608 1.00 0.00 C ATOM 803 CG ASP A 54 12.027 -8.054 4.844 1.00 0.00 C ATOM 804 OD1 ASP A 54 12.010 -8.095 3.593 1.00 0.00 O ATOM 805 OD2 ASP A 54 12.112 -6.988 5.497 1.00 0.00 O ATOM 0 H ASP A 54 10.378 -9.102 7.571 1.00 0.00 H new ATOM 0 HA ASP A 54 9.976 -9.566 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 54 12.278 -9.208 6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.592 -10.096 5.152 1.00 0.00 H new ATOM 810 N ASP A 55 9.334 -12.023 5.353 1.00 0.00 N ATOM 811 CA ASP A 55 9.192 -13.478 5.301 1.00 0.00 C ATOM 812 C ASP A 55 7.867 -13.882 4.650 1.00 0.00 C ATOM 813 O ASP A 55 7.164 -14.762 5.150 1.00 0.00 O ATOM 814 CB ASP A 55 9.277 -14.050 6.719 1.00 0.00 C ATOM 815 CG ASP A 55 9.949 -15.410 6.774 1.00 0.00 C ATOM 816 OD1 ASP A 55 9.410 -16.366 6.176 1.00 0.00 O ATOM 817 OD2 ASP A 55 11.012 -15.520 7.421 1.00 0.00 O ATOM 0 H ASP A 55 8.470 -11.511 5.178 1.00 0.00 H new ATOM 0 HA ASP A 55 10.001 -13.883 4.693 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.827 -13.354 7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.272 -14.131 7.132 1.00 0.00 H new ATOM 822 N VAL A 56 7.534 -13.236 3.535 1.00 0.00 N ATOM 823 CA VAL A 56 6.292 -13.526 2.816 1.00 0.00 C ATOM 824 C VAL A 56 6.137 -12.612 1.594 1.00 0.00 C ATOM 825 O VAL A 56 7.125 -12.214 0.973 1.00 0.00 O ATOM 826 CB VAL A 56 5.054 -13.396 3.755 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.615 -11.943 3.937 1.00 0.00 C ATOM 828 CG2 VAL A 56 3.905 -14.276 3.266 1.00 0.00 C ATOM 0 H VAL A 56 8.106 -12.507 3.108 1.00 0.00 H new ATOM 0 HA VAL A 56 6.347 -14.557 2.467 1.00 0.00 H new ATOM 0 HB VAL A 56 5.355 -13.753 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.750 -11.904 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.432 -11.368 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.350 -11.519 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.053 -14.168 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.616 -13.971 2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.225 -15.318 3.251 1.00 0.00 H new ATOM 838 N ARG A 57 4.893 -12.285 1.264 1.00 0.00 N ATOM 839 CA ARG A 57 4.584 -11.420 0.128 1.00 0.00 C ATOM 840 C ARG A 57 3.154 -10.901 0.229 1.00 0.00 C ATOM 841 O ARG A 57 2.209 -11.684 0.311 1.00 0.00 O ATOM 842 CB ARG A 57 4.768 -12.170 -1.197 1.00 0.00 C ATOM 843 CG ARG A 57 4.220 -13.593 -1.184 1.00 0.00 C ATOM 844 CD ARG A 57 2.883 -13.686 -1.902 1.00 0.00 C ATOM 845 NE ARG A 57 2.180 -14.928 -1.586 1.00 0.00 N ATOM 846 CZ ARG A 57 1.430 -15.104 -0.493 1.00 0.00 C ATOM 847 NH1 ARG A 57 1.282 -14.119 0.392 1.00 0.00 N ATOM 848 NH2 ARG A 57 0.829 -16.271 -0.282 1.00 0.00 N ATOM 0 H ARG A 57 4.071 -12.610 1.774 1.00 0.00 H new ATOM 0 HA ARG A 57 5.274 -10.577 0.151 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.276 -11.609 -1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.830 -12.203 -1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.936 -14.263 -1.659 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.104 -13.929 -0.154 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.261 -12.836 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.044 -13.624 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 57 2.267 -15.707 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.743 -13.222 0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.708 -14.262 1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.940 -17.031 -0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.257 -16.407 0.551 1.00 0.00 H new ATOM 862 N LEU A 58 2.998 -9.583 0.221 1.00 0.00 N ATOM 863 CA LEU A 58 1.672 -8.979 0.310 1.00 0.00 C ATOM 864 C LEU A 58 1.676 -7.550 -0.226 1.00 0.00 C ATOM 865 O LEU A 58 2.715 -6.891 -0.260 1.00 0.00 O ATOM 866 CB LEU A 58 1.168 -9.003 1.757 1.00 0.00 C ATOM 867 CG LEU A 58 2.057 -8.279 2.771 1.00 0.00 C ATOM 868 CD1 LEU A 58 1.549 -6.867 3.014 1.00 0.00 C ATOM 869 CD2 LEU A 58 2.119 -9.059 4.077 1.00 0.00 C ATOM 0 H LEU A 58 3.766 -8.915 0.154 1.00 0.00 H new ATOM 0 HA LEU A 58 0.995 -9.568 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.174 -8.556 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.060 -10.042 2.070 1.00 0.00 H new ATOM 0 HG LEU A 58 3.065 -8.214 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.194 -6.368 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.557 -6.311 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.531 -6.908 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.755 -8.530 4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.115 -9.155 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.531 -10.051 3.889 1.00 0.00 H new ATOM 881 N PHE A 59 0.502 -7.076 -0.640 1.00 0.00 N ATOM 882 CA PHE A 59 0.366 -5.722 -1.169 1.00 0.00 C ATOM 883 C PHE A 59 -0.183 -4.781 -0.099 1.00 0.00 C ATOM 884 O PHE A 59 -0.568 -5.218 0.989 1.00 0.00 O ATOM 885 CB PHE A 59 -0.539 -5.714 -2.405 1.00 0.00 C ATOM 886 CG PHE A 59 0.058 -6.416 -3.591 1.00 0.00 C ATOM 887 CD1 PHE A 59 0.039 -7.800 -3.674 1.00 0.00 C ATOM 888 CD2 PHE A 59 0.642 -5.696 -4.621 1.00 0.00 C ATOM 889 CE1 PHE A 59 0.590 -8.451 -4.761 1.00 0.00 C ATOM 890 CE2 PHE A 59 1.194 -6.342 -5.709 1.00 0.00 C ATOM 891 CZ PHE A 59 1.168 -7.721 -5.779 1.00 0.00 C ATOM 0 H PHE A 59 -0.367 -7.610 -0.619 1.00 0.00 H new ATOM 0 HA PHE A 59 1.354 -5.369 -1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.488 -6.187 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.759 -4.682 -2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.412 -8.376 -2.879 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.666 -4.617 -4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.568 -9.529 -4.814 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.646 -5.769 -6.505 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.600 -8.227 -6.630 1.00 0.00 H new ATOM 901 N ALA A 60 -0.202 -3.488 -0.407 1.00 0.00 N ATOM 902 CA ALA A 60 -0.688 -2.483 0.531 1.00 0.00 C ATOM 903 C ALA A 60 -1.292 -1.286 -0.194 1.00 0.00 C ATOM 904 O ALA A 60 -0.963 -1.013 -1.351 1.00 0.00 O ATOM 905 CB ALA A 60 0.444 -2.029 1.438 1.00 0.00 C ATOM 0 H ALA A 60 0.114 -3.111 -1.301 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.474 -2.938 1.133 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.073 -1.278 2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.829 -2.883 1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.244 -1.599 0.835 1.00 0.00 H new ATOM 911 N PHE A 61 -2.175 -0.573 0.499 1.00 0.00 N ATOM 912 CA PHE A 61 -2.831 0.598 -0.067 1.00 0.00 C ATOM 913 C PHE A 61 -3.106 1.638 1.016 1.00 0.00 C ATOM 914 O PHE A 61 -3.785 1.350 2.002 1.00 0.00 O ATOM 915 CB PHE A 61 -4.135 0.189 -0.751 1.00 0.00 C ATOM 916 CG PHE A 61 -4.409 0.951 -2.013 1.00 0.00 C ATOM 917 CD1 PHE A 61 -4.923 2.235 -1.962 1.00 0.00 C ATOM 918 CD2 PHE A 61 -4.150 0.383 -3.249 1.00 0.00 C ATOM 919 CE1 PHE A 61 -5.176 2.941 -3.120 1.00 0.00 C ATOM 920 CE2 PHE A 61 -4.401 1.085 -4.413 1.00 0.00 C ATOM 921 CZ PHE A 61 -4.915 2.366 -4.349 1.00 0.00 C ATOM 0 H PHE A 61 -2.452 -0.788 1.457 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.167 1.043 -0.808 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.099 -0.876 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.963 0.339 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.129 2.690 -1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.748 -0.618 -3.304 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.578 3.942 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.195 0.633 -5.372 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.112 2.916 -5.257 1.00 0.00 H new ATOM 931 N VAL A 62 -2.574 2.846 0.831 1.00 0.00 N ATOM 932 CA VAL A 62 -2.763 3.923 1.801 1.00 0.00 C ATOM 933 C VAL A 62 -3.211 5.216 1.122 1.00 0.00 C ATOM 934 O VAL A 62 -2.762 5.541 0.022 1.00 0.00 O ATOM 935 CB VAL A 62 -1.473 4.203 2.604 1.00 0.00 C ATOM 936 CG1 VAL A 62 -1.760 5.135 3.774 1.00 0.00 C ATOM 937 CG2 VAL A 62 -0.840 2.906 3.093 1.00 0.00 C ATOM 0 H VAL A 62 -2.010 3.102 0.020 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.542 3.585 2.484 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.763 4.694 1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.839 5.320 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.153 6.080 3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.493 4.674 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.066 3.133 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.544 2.378 3.736 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.589 2.279 2.238 1.00 0.00 H new ATOM 947 N ARG A 63 -4.093 5.952 1.798 1.00 0.00 N ATOM 948 CA ARG A 63 -4.604 7.218 1.282 1.00 0.00 C ATOM 949 C ARG A 63 -4.302 8.354 2.255 1.00 0.00 C ATOM 950 O ARG A 63 -4.846 8.396 3.362 1.00 0.00 O ATOM 951 CB ARG A 63 -6.112 7.127 1.036 1.00 0.00 C ATOM 952 CG ARG A 63 -6.483 6.316 -0.193 1.00 0.00 C ATOM 953 CD ARG A 63 -7.981 6.059 -0.250 1.00 0.00 C ATOM 954 NE ARG A 63 -8.448 5.799 -1.610 1.00 0.00 N ATOM 955 CZ ARG A 63 -8.412 4.600 -2.199 1.00 0.00 C ATOM 956 NH1 ARG A 63 -7.913 3.544 -1.558 1.00 0.00 N ATOM 957 NH2 ARG A 63 -8.873 4.455 -3.437 1.00 0.00 N ATOM 0 H ARG A 63 -4.469 5.690 2.709 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.106 7.426 0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.588 6.683 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.515 8.134 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.168 6.847 -1.091 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.948 5.366 -0.180 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.226 5.207 0.385 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.511 6.921 0.155 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.825 6.582 -2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.554 3.646 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.890 2.633 -2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.254 5.258 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.846 3.540 -3.887 1.00 0.00 H new ATOM 971 N PHE A 64 -3.431 9.271 1.838 1.00 0.00 N ATOM 972 CA PHE A 64 -3.051 10.409 2.674 1.00 0.00 C ATOM 973 C PHE A 64 -3.887 11.643 2.343 1.00 0.00 C ATOM 974 O PHE A 64 -4.556 11.697 1.309 1.00 0.00 O ATOM 975 CB PHE A 64 -1.564 10.732 2.497 1.00 0.00 C ATOM 976 CG PHE A 64 -0.642 9.715 3.112 1.00 0.00 C ATOM 977 CD1 PHE A 64 -0.902 9.186 4.368 1.00 0.00 C ATOM 978 CD2 PHE A 64 0.488 9.292 2.432 1.00 0.00 C ATOM 979 CE1 PHE A 64 -0.051 8.254 4.931 1.00 0.00 C ATOM 980 CE2 PHE A 64 1.341 8.360 2.991 1.00 0.00 C ATOM 981 CZ PHE A 64 1.072 7.840 4.241 1.00 0.00 C ATOM 0 H PHE A 64 -2.975 9.248 0.926 1.00 0.00 H new ATOM 0 HA PHE A 64 -3.238 10.133 3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.344 10.811 1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.359 11.707 2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.779 9.506 4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.705 9.695 1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.264 7.850 5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.218 8.038 2.450 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.738 7.111 4.679 1.00 0.00 H new ATOM 991 N THR A 65 -3.840 12.637 3.229 1.00 0.00 N ATOM 992 CA THR A 65 -4.585 13.876 3.039 1.00 0.00 C ATOM 993 C THR A 65 -3.738 15.084 3.436 1.00 0.00 C ATOM 994 O THR A 65 -3.298 15.195 4.583 1.00 0.00 O ATOM 995 CB THR A 65 -5.887 13.849 3.851 1.00 0.00 C ATOM 996 OG1 THR A 65 -6.604 12.646 3.623 1.00 0.00 O ATOM 997 CG2 THR A 65 -6.815 15.003 3.534 1.00 0.00 C ATOM 0 H THR A 65 -3.291 12.606 4.088 1.00 0.00 H new ATOM 0 HA THR A 65 -4.835 13.964 1.982 1.00 0.00 H new ATOM 0 HB THR A 65 -5.575 13.928 4.892 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.429 12.651 4.152 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.716 14.923 4.142 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.312 15.945 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.086 14.973 2.479 1.00 0.00 H new ATOM 1005 N THR A 66 -3.512 15.981 2.478 1.00 0.00 N ATOM 1006 CA THR A 66 -2.717 17.182 2.716 1.00 0.00 C ATOM 1007 C THR A 66 -3.591 18.435 2.648 1.00 0.00 C ATOM 1008 O THR A 66 -3.784 19.014 1.575 1.00 0.00 O ATOM 1009 CB THR A 66 -1.574 17.277 1.695 1.00 0.00 C ATOM 1010 OG1 THR A 66 -2.052 17.057 0.378 1.00 0.00 O ATOM 1011 CG2 THR A 66 -0.459 16.285 1.949 1.00 0.00 C ATOM 0 H THR A 66 -3.870 15.897 1.527 1.00 0.00 H new ATOM 0 HA THR A 66 -2.291 17.115 3.717 1.00 0.00 H new ATOM 0 HB THR A 66 -1.175 18.285 1.806 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.839 17.619 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.315 16.406 1.192 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.032 16.462 2.936 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.856 15.271 1.902 1.00 0.00 H new ATOM 1019 N GLY A 67 -4.120 18.844 3.800 1.00 0.00 N ATOM 1020 CA GLY A 67 -4.968 20.023 3.860 1.00 0.00 C ATOM 1021 C GLY A 67 -5.055 20.604 5.260 1.00 0.00 C ATOM 1022 O GLY A 67 -4.568 20.000 6.217 1.00 0.00 O ATOM 0 H GLY A 67 -3.975 18.378 4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.581 20.781 3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.969 19.765 3.514 1.00 0.00 H new ATOM 1026 N ASP A 68 -5.682 21.774 5.383 1.00 0.00 N ATOM 1027 CA ASP A 68 -5.832 22.429 6.682 1.00 0.00 C ATOM 1028 C ASP A 68 -6.976 23.440 6.664 1.00 0.00 C ATOM 1029 O ASP A 68 -6.750 24.647 6.553 1.00 0.00 O ATOM 1030 CB ASP A 68 -4.525 23.121 7.093 1.00 0.00 C ATOM 1031 CG ASP A 68 -4.293 23.098 8.594 1.00 0.00 C ATOM 1032 OD1 ASP A 68 -5.273 23.250 9.358 1.00 0.00 O ATOM 1033 OD2 ASP A 68 -3.127 22.931 9.010 1.00 0.00 O ATOM 0 H ASP A 68 -6.093 22.286 4.602 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.069 21.658 7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.688 22.633 6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.543 24.155 6.749 1.00 0.00 H new ATOM 1038 N ALA A 69 -8.206 22.932 6.782 1.00 0.00 N ATOM 1039 CA ALA A 69 -9.412 23.770 6.791 1.00 0.00 C ATOM 1040 C ALA A 69 -9.396 24.839 5.693 1.00 0.00 C ATOM 1041 O ALA A 69 -9.966 25.922 5.854 1.00 0.00 O ATOM 1042 CB ALA A 69 -9.574 24.418 8.153 1.00 0.00 C ATOM 0 H ALA A 69 -8.395 21.934 6.874 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.262 23.120 6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.470 25.039 8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.666 23.644 8.915 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.703 25.037 8.367 1.00 0.00 H new ATOM 1048 N MET A 70 -8.746 24.520 4.581 1.00 0.00 N ATOM 1049 CA MET A 70 -8.645 25.438 3.446 1.00 0.00 C ATOM 1050 C MET A 70 -8.549 24.687 2.111 1.00 0.00 C ATOM 1051 O MET A 70 -9.061 25.157 1.095 1.00 0.00 O ATOM 1052 CB MET A 70 -7.437 26.369 3.612 1.00 0.00 C ATOM 1053 CG MET A 70 -6.093 25.651 3.638 1.00 0.00 C ATOM 1054 SD MET A 70 -4.792 26.584 2.807 1.00 0.00 S ATOM 1055 CE MET A 70 -5.366 26.537 1.111 1.00 0.00 C ATOM 0 H MET A 70 -8.276 23.626 4.437 1.00 0.00 H new ATOM 0 HA MET A 70 -9.558 26.034 3.430 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.434 27.091 2.796 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.552 26.934 4.537 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.801 25.471 4.673 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.197 24.676 3.162 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.596 26.096 0.478 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.273 25.936 1.051 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.579 27.550 0.771 1.00 0.00 H new ATOM 1065 N SER A 71 -7.891 23.524 2.121 1.00 0.00 N ATOM 1066 CA SER A 71 -7.730 22.716 0.914 1.00 0.00 C ATOM 1067 C SER A 71 -7.427 21.260 1.274 1.00 0.00 C ATOM 1068 O SER A 71 -6.269 20.832 1.275 1.00 0.00 O ATOM 1069 CB SER A 71 -6.619 23.289 0.025 1.00 0.00 C ATOM 1070 OG SER A 71 -5.420 23.483 0.758 1.00 0.00 O ATOM 0 H SER A 71 -7.461 23.123 2.954 1.00 0.00 H new ATOM 0 HA SER A 71 -8.667 22.745 0.358 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.432 22.612 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.945 24.238 -0.401 1.00 0.00 H new ATOM 0 HG SER A 71 -5.191 22.658 1.235 1.00 0.00 H new ATOM 1076 N LYS A 72 -8.476 20.502 1.584 1.00 0.00 N ATOM 1077 CA LYS A 72 -8.324 19.095 1.945 1.00 0.00 C ATOM 1078 C LYS A 72 -8.152 18.240 0.691 1.00 0.00 C ATOM 1079 O LYS A 72 -9.126 17.934 -0.001 1.00 0.00 O ATOM 1080 CB LYS A 72 -9.539 18.617 2.750 1.00 0.00 C ATOM 1081 CG LYS A 72 -9.353 17.251 3.392 1.00 0.00 C ATOM 1082 CD LYS A 72 -10.540 16.879 4.269 1.00 0.00 C ATOM 1083 CE LYS A 72 -10.112 16.070 5.486 1.00 0.00 C ATOM 1084 NZ LYS A 72 -10.225 14.602 5.255 1.00 0.00 N ATOM 0 H LYS A 72 -9.439 20.838 1.592 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.432 18.990 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.757 19.347 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.408 18.584 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.223 16.498 2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.443 17.251 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.049 17.786 4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.258 16.304 3.684 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.081 16.318 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.728 16.350 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.725 14.092 6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.228 14.326 5.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.802 14.362 4.336 1.00 0.00 H new ATOM 1098 N ARG A 73 -6.908 17.861 0.397 1.00 0.00 N ATOM 1099 CA ARG A 73 -6.612 17.046 -0.778 1.00 0.00 C ATOM 1100 C ARG A 73 -6.378 15.589 -0.389 1.00 0.00 C ATOM 1101 O ARG A 73 -5.901 15.301 0.708 1.00 0.00 O ATOM 1102 CB ARG A 73 -5.390 17.597 -1.515 1.00 0.00 C ATOM 1103 CG ARG A 73 -5.739 18.615 -2.587 1.00 0.00 C ATOM 1104 CD ARG A 73 -6.363 17.950 -3.805 1.00 0.00 C ATOM 1105 NE ARG A 73 -7.160 18.886 -4.597 1.00 0.00 N ATOM 1106 CZ ARG A 73 -8.075 18.515 -5.496 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -8.320 17.226 -5.720 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -8.748 19.441 -6.174 1.00 0.00 N ATOM 0 H ARG A 73 -6.091 18.106 0.957 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.475 17.088 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.717 18.058 -0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.848 16.770 -1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.431 19.352 -2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.840 19.153 -2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.576 17.527 -4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.993 17.122 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.007 19.884 -4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.807 16.512 -5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.021 16.952 -6.409 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.564 20.430 -6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.448 19.162 -6.862 1.00 0.00 H new ATOM 1122 N SER A 74 -6.719 14.675 -1.298 1.00 0.00 N ATOM 1123 CA SER A 74 -6.551 13.245 -1.055 1.00 0.00 C ATOM 1124 C SER A 74 -5.426 12.669 -1.913 1.00 0.00 C ATOM 1125 O SER A 74 -5.187 13.127 -3.032 1.00 0.00 O ATOM 1126 CB SER A 74 -7.858 12.502 -1.341 1.00 0.00 C ATOM 1127 OG SER A 74 -8.621 12.339 -0.158 1.00 0.00 O ATOM 0 H SER A 74 -7.114 14.902 -2.211 1.00 0.00 H new ATOM 0 HA SER A 74 -6.284 13.111 -0.007 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.440 13.054 -2.080 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.638 11.526 -1.773 1.00 0.00 H new ATOM 0 HG SER A 74 -9.452 11.863 -0.367 1.00 0.00 H new ATOM 1133 N LYS A 75 -4.739 11.661 -1.376 1.00 0.00 N ATOM 1134 CA LYS A 75 -3.638 11.014 -2.082 1.00 0.00 C ATOM 1135 C LYS A 75 -3.799 9.495 -2.069 1.00 0.00 C ATOM 1136 O LYS A 75 -4.548 8.948 -1.256 1.00 0.00 O ATOM 1137 CB LYS A 75 -2.302 11.404 -1.445 1.00 0.00 C ATOM 1138 CG LYS A 75 -1.246 11.830 -2.454 1.00 0.00 C ATOM 1139 CD LYS A 75 -1.183 13.344 -2.590 1.00 0.00 C ATOM 1140 CE LYS A 75 -0.336 13.759 -3.784 1.00 0.00 C ATOM 1141 NZ LYS A 75 -0.737 15.091 -4.322 1.00 0.00 N ATOM 0 H LYS A 75 -4.928 11.275 -0.451 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.653 11.352 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.469 12.219 -0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.923 10.559 -0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.272 11.451 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.468 11.385 -3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.191 13.743 -2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.767 13.776 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.713 13.788 -3.491 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.426 13.009 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.134 15.333 -5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.731 15.057 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.626 15.812 -3.581 1.00 0.00 H new ATOM 1155 N PHE A 76 -3.088 8.823 -2.971 1.00 0.00 N ATOM 1156 CA PHE A 76 -3.143 7.364 -3.069 1.00 0.00 C ATOM 1157 C PHE A 76 -1.736 6.774 -3.098 1.00 0.00 C ATOM 1158 O PHE A 76 -0.808 7.387 -3.630 1.00 0.00 O ATOM 1159 CB PHE A 76 -3.911 6.936 -4.325 1.00 0.00 C ATOM 1160 CG PHE A 76 -5.213 7.659 -4.523 1.00 0.00 C ATOM 1161 CD1 PHE A 76 -5.240 8.919 -5.104 1.00 0.00 C ATOM 1162 CD2 PHE A 76 -6.410 7.082 -4.131 1.00 0.00 C ATOM 1163 CE1 PHE A 76 -6.435 9.587 -5.288 1.00 0.00 C ATOM 1164 CE2 PHE A 76 -7.607 7.745 -4.315 1.00 0.00 C ATOM 1165 CZ PHE A 76 -7.621 8.999 -4.894 1.00 0.00 C ATOM 0 H PHE A 76 -2.465 9.265 -3.647 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.666 6.987 -2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.280 7.101 -5.198 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.107 5.865 -4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.316 9.383 -5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.407 6.102 -3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.442 10.568 -5.739 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.533 7.283 -4.006 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.557 9.518 -5.038 1.00 0.00 H new ATOM 1175 N ALA A 77 -1.583 5.583 -2.524 1.00 0.00 N ATOM 1176 CA ALA A 77 -0.287 4.916 -2.485 1.00 0.00 C ATOM 1177 C ALA A 77 -0.436 3.399 -2.567 1.00 0.00 C ATOM 1178 O ALA A 77 -0.927 2.763 -1.632 1.00 0.00 O ATOM 1179 CB ALA A 77 0.466 5.308 -1.222 1.00 0.00 C ATOM 0 H ALA A 77 -2.340 5.062 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 77 0.284 5.240 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.432 4.804 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.619 6.387 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.113 5.014 -0.347 1.00 0.00 H new ATOM 1185 N LEU A 78 0.004 2.827 -3.687 1.00 0.00 N ATOM 1186 CA LEU A 78 -0.061 1.385 -3.896 1.00 0.00 C ATOM 1187 C LEU A 78 1.323 0.769 -3.703 1.00 0.00 C ATOM 1188 O LEU A 78 2.087 0.609 -4.658 1.00 0.00 O ATOM 1189 CB LEU A 78 -0.600 1.071 -5.299 1.00 0.00 C ATOM 1190 CG LEU A 78 -0.581 -0.410 -5.695 1.00 0.00 C ATOM 1191 CD1 LEU A 78 -1.750 -1.153 -5.062 1.00 0.00 C ATOM 1192 CD2 LEU A 78 -0.612 -0.553 -7.210 1.00 0.00 C ATOM 0 H LEU A 78 0.411 3.345 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.743 0.952 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.626 1.434 -5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.015 1.632 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 78 0.343 -0.853 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.717 -2.202 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.684 -1.079 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.688 -0.711 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.598 -1.610 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.520 -0.092 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.259 -0.059 -7.640 1.00 0.00 H new ATOM 1204 N ILE A 79 1.644 0.438 -2.455 1.00 0.00 N ATOM 1205 CA ILE A 79 2.939 -0.147 -2.129 1.00 0.00 C ATOM 1206 C ILE A 79 2.857 -1.671 -2.062 1.00 0.00 C ATOM 1207 O ILE A 79 1.873 -2.228 -1.574 1.00 0.00 O ATOM 1208 CB ILE A 79 3.486 0.395 -0.788 1.00 0.00 C ATOM 1209 CG1 ILE A 79 3.423 1.927 -0.764 1.00 0.00 C ATOM 1210 CG2 ILE A 79 4.913 -0.081 -0.562 1.00 0.00 C ATOM 1211 CD1 ILE A 79 2.415 2.481 0.222 1.00 0.00 C ATOM 0 H ILE A 79 1.025 0.565 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 79 3.623 0.139 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 79 2.862 0.010 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.410 2.318 -0.519 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.176 2.287 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.281 0.310 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.934 -1.171 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.548 0.276 -1.373 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.428 3.570 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.419 2.120 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.672 2.152 1.229 1.00 0.00 H new ATOM 1223 N THR A 80 3.901 -2.335 -2.555 1.00 0.00 N ATOM 1224 CA THR A 80 3.962 -3.794 -2.550 1.00 0.00 C ATOM 1225 C THR A 80 5.084 -4.277 -1.636 1.00 0.00 C ATOM 1226 O THR A 80 6.243 -3.892 -1.809 1.00 0.00 O ATOM 1227 CB THR A 80 4.179 -4.324 -3.972 1.00 0.00 C ATOM 1228 OG1 THR A 80 3.188 -3.825 -4.854 1.00 0.00 O ATOM 1229 CG2 THR A 80 4.155 -5.838 -4.061 1.00 0.00 C ATOM 0 H THR A 80 4.719 -1.883 -2.964 1.00 0.00 H new ATOM 0 HA THR A 80 3.013 -4.176 -2.173 1.00 0.00 H new ATOM 0 HB THR A 80 5.172 -3.976 -4.258 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.433 -4.450 -4.885 1.00 0.00 H new ATOM 0 HG21 THR A 80 4.315 -6.144 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.945 -6.252 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.188 -6.207 -3.718 1.00 0.00 H new ATOM 1237 N TRP A 81 4.738 -5.123 -0.669 1.00 0.00 N ATOM 1238 CA TRP A 81 5.723 -5.658 0.263 1.00 0.00 C ATOM 1239 C TRP A 81 6.247 -7.008 -0.220 1.00 0.00 C ATOM 1240 O TRP A 81 5.472 -7.882 -0.616 1.00 0.00 O ATOM 1241 CB TRP A 81 5.123 -5.804 1.664 1.00 0.00 C ATOM 1242 CG TRP A 81 6.093 -6.360 2.661 1.00 0.00 C ATOM 1243 CD1 TRP A 81 5.998 -7.549 3.324 1.00 0.00 C ATOM 1244 CD2 TRP A 81 7.314 -5.752 3.100 1.00 0.00 C ATOM 1245 NE1 TRP A 81 7.083 -7.717 4.150 1.00 0.00 N ATOM 1246 CE2 TRP A 81 7.904 -6.627 4.031 1.00 0.00 C ATOM 1247 CE3 TRP A 81 7.965 -4.552 2.797 1.00 0.00 C ATOM 1248 CZ2 TRP A 81 9.113 -6.338 4.661 1.00 0.00 C ATOM 1249 CZ3 TRP A 81 9.164 -4.269 3.420 1.00 0.00 C ATOM 1250 CH2 TRP A 81 9.728 -5.158 4.343 1.00 0.00 C ATOM 0 H TRP A 81 3.785 -5.451 -0.512 1.00 0.00 H new ATOM 0 HA TRP A 81 6.554 -4.955 0.310 1.00 0.00 H new ATOM 0 HB2 TRP A 81 4.775 -4.830 2.008 1.00 0.00 H new ATOM 0 HB3 TRP A 81 4.250 -6.454 1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 81 5.188 -8.255 3.215 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.250 -8.522 4.753 1.00 0.00 H new ATOM 0 HE3 TRP A 81 7.537 -3.859 2.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 9.549 -7.021 5.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 9.676 -3.346 3.191 1.00 0.00 H new ATOM 0 HH2 TRP A 81 10.667 -4.907 4.813 1.00 0.00 H new ATOM 1261 N ILE A 82 7.567 -7.168 -0.179 1.00 0.00 N ATOM 1262 CA ILE A 82 8.205 -8.405 -0.604 1.00 0.00 C ATOM 1263 C ILE A 82 9.157 -8.925 0.475 1.00 0.00 C ATOM 1264 O ILE A 82 10.341 -8.576 0.499 1.00 0.00 O ATOM 1265 CB ILE A 82 8.967 -8.217 -1.939 1.00 0.00 C ATOM 1266 CG1 ILE A 82 9.671 -9.515 -2.334 1.00 0.00 C ATOM 1267 CG2 ILE A 82 9.967 -7.070 -1.843 1.00 0.00 C ATOM 1268 CD1 ILE A 82 9.718 -9.748 -3.827 1.00 0.00 C ATOM 0 H ILE A 82 8.216 -6.451 0.146 1.00 0.00 H new ATOM 0 HA ILE A 82 7.417 -9.141 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 82 8.242 -7.964 -2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.689 -9.499 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.161 -10.354 -1.860 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.488 -6.961 -2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.439 -6.145 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.690 -7.283 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.232 -10.687 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.702 -9.796 -4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.254 -8.929 -4.306 1.00 0.00 H new ATOM 1280 N GLY A 83 8.632 -9.766 1.365 1.00 0.00 N ATOM 1281 CA GLY A 83 9.447 -10.325 2.426 1.00 0.00 C ATOM 1282 C GLY A 83 10.512 -11.255 1.883 1.00 0.00 C ATOM 1283 O GLY A 83 10.191 -12.322 1.361 1.00 0.00 O ATOM 0 H GLY A 83 7.658 -10.068 1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.920 -9.518 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.812 -10.868 3.125 1.00 0.00 H new ATOM 1287 N GLU A 84 11.775 -10.827 1.990 1.00 0.00 N ATOM 1288 CA GLU A 84 12.927 -11.596 1.491 1.00 0.00 C ATOM 1289 C GLU A 84 12.776 -13.097 1.682 1.00 0.00 C ATOM 1290 O GLU A 84 13.061 -13.866 0.763 1.00 0.00 O ATOM 1291 CB GLU A 84 14.211 -11.164 2.183 1.00 0.00 C ATOM 1292 CG GLU A 84 14.648 -9.746 1.855 1.00 0.00 C ATOM 1293 CD GLU A 84 15.439 -9.659 0.563 1.00 0.00 C ATOM 1294 OE1 GLU A 84 14.822 -9.767 -0.519 1.00 0.00 O ATOM 1295 OE2 GLU A 84 16.673 -9.479 0.632 1.00 0.00 O ATOM 0 H GLU A 84 12.030 -9.940 2.424 1.00 0.00 H new ATOM 0 HA GLU A 84 12.971 -11.386 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.076 -11.251 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.010 -11.852 1.905 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.768 -9.107 1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.254 -9.359 2.674 1.00 0.00 H new ATOM 1302 N ASN A 85 12.346 -13.521 2.874 1.00 0.00 N ATOM 1303 CA ASN A 85 12.179 -14.944 3.169 1.00 0.00 C ATOM 1304 C ASN A 85 10.950 -15.518 2.469 1.00 0.00 C ATOM 1305 O ASN A 85 10.152 -16.247 3.062 1.00 0.00 O ATOM 1306 CB ASN A 85 12.100 -15.159 4.678 1.00 0.00 C ATOM 1307 CG ASN A 85 13.466 -15.099 5.321 1.00 0.00 C ATOM 1308 OD1 ASN A 85 14.026 -16.121 5.721 1.00 0.00 O ATOM 1309 ND2 ASN A 85 14.015 -13.896 5.422 1.00 0.00 N ATOM 0 H ASN A 85 12.108 -12.900 3.647 1.00 0.00 H new ATOM 0 HA ASN A 85 13.048 -15.478 2.785 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.455 -14.400 5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.642 -16.126 4.885 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.937 -13.790 5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.515 -13.077 5.077 1.00 0.00 H new ATOM 1316 N VAL A 86 10.825 -15.190 1.190 1.00 0.00 N ATOM 1317 CA VAL A 86 9.722 -15.666 0.367 1.00 0.00 C ATOM 1318 C VAL A 86 10.203 -16.764 -0.577 1.00 0.00 C ATOM 1319 O VAL A 86 11.257 -16.634 -1.202 1.00 0.00 O ATOM 1320 CB VAL A 86 9.079 -14.518 -0.448 1.00 0.00 C ATOM 1321 CG1 VAL A 86 10.076 -13.899 -1.423 1.00 0.00 C ATOM 1322 CG2 VAL A 86 7.841 -15.009 -1.183 1.00 0.00 C ATOM 0 H VAL A 86 11.483 -14.588 0.695 1.00 0.00 H new ATOM 0 HA VAL A 86 8.963 -16.069 1.037 1.00 0.00 H new ATOM 0 HB VAL A 86 8.778 -13.741 0.255 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.591 -13.096 -1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.924 -13.496 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.426 -14.662 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.404 -14.187 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.118 -15.813 -1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.113 -15.380 -0.462 1.00 0.00 H new ATOM 1332 N SER A 87 9.432 -17.846 -0.671 1.00 0.00 N ATOM 1333 CA SER A 87 9.789 -18.969 -1.538 1.00 0.00 C ATOM 1334 C SER A 87 9.818 -18.539 -3.005 1.00 0.00 C ATOM 1335 O SER A 87 9.141 -17.585 -3.394 1.00 0.00 O ATOM 1336 CB SER A 87 8.809 -20.134 -1.348 1.00 0.00 C ATOM 1337 OG SER A 87 7.493 -19.668 -1.106 1.00 0.00 O ATOM 0 H SER A 87 8.558 -17.969 -0.159 1.00 0.00 H new ATOM 0 HA SER A 87 10.788 -19.304 -1.257 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.815 -20.765 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.136 -20.754 -0.514 1.00 0.00 H new ATOM 0 HG SER A 87 6.891 -20.433 -0.991 1.00 0.00 H new ATOM 1343 N GLY A 88 10.613 -19.248 -3.810 1.00 0.00 N ATOM 1344 CA GLY A 88 10.733 -18.930 -5.227 1.00 0.00 C ATOM 1345 C GLY A 88 9.391 -18.850 -5.939 1.00 0.00 C ATOM 1346 O GLY A 88 9.136 -17.897 -6.679 1.00 0.00 O ATOM 0 H GLY A 88 11.178 -20.040 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.252 -17.978 -5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.350 -19.687 -5.712 1.00 0.00 H new ATOM 1350 N LEU A 89 8.530 -19.848 -5.716 1.00 0.00 N ATOM 1351 CA LEU A 89 7.206 -19.882 -6.344 1.00 0.00 C ATOM 1352 C LEU A 89 6.386 -18.647 -5.966 1.00 0.00 C ATOM 1353 O LEU A 89 5.730 -18.044 -6.818 1.00 0.00 O ATOM 1354 CB LEU A 89 6.452 -21.153 -5.937 1.00 0.00 C ATOM 1355 CG LEU A 89 5.531 -21.731 -7.015 1.00 0.00 C ATOM 1356 CD1 LEU A 89 5.583 -23.252 -7.000 1.00 0.00 C ATOM 1357 CD2 LEU A 89 4.102 -21.241 -6.821 1.00 0.00 C ATOM 0 H LEU A 89 8.726 -20.642 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 89 7.349 -19.883 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.179 -21.914 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.857 -20.936 -5.050 1.00 0.00 H new ATOM 0 HG LEU A 89 5.881 -21.384 -7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.923 -23.646 -7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.604 -23.583 -7.192 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.260 -23.618 -6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.464 -21.663 -7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.739 -21.555 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.079 -20.153 -6.884 1.00 0.00 H new ATOM 1369 N GLN A 90 6.433 -18.274 -4.686 1.00 0.00 N ATOM 1370 CA GLN A 90 5.705 -17.110 -4.194 1.00 0.00 C ATOM 1371 C GLN A 90 6.285 -15.818 -4.769 1.00 0.00 C ATOM 1372 O GLN A 90 5.550 -14.862 -5.024 1.00 0.00 O ATOM 1373 CB GLN A 90 5.749 -17.075 -2.667 1.00 0.00 C ATOM 1374 CG GLN A 90 5.077 -18.271 -2.012 1.00 0.00 C ATOM 1375 CD GLN A 90 3.580 -18.304 -2.253 1.00 0.00 C ATOM 1376 OE1 GLN A 90 2.808 -17.726 -1.494 1.00 0.00 O ATOM 1377 NE2 GLN A 90 3.161 -18.980 -3.317 1.00 0.00 N ATOM 0 H GLN A 90 6.970 -18.765 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 90 4.668 -17.190 -4.521 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.789 -17.030 -2.343 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.267 -16.162 -2.319 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.523 -19.189 -2.395 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.268 -18.248 -0.939 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.836 -19.447 -3.923 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.164 -19.032 -3.528 1.00 0.00 H new ATOM 1386 N ARG A 91 7.605 -15.801 -4.979 1.00 0.00 N ATOM 1387 CA ARG A 91 8.289 -14.634 -5.536 1.00 0.00 C ATOM 1388 C ARG A 91 7.701 -14.253 -6.899 1.00 0.00 C ATOM 1389 O ARG A 91 7.621 -13.072 -7.239 1.00 0.00 O ATOM 1390 CB ARG A 91 9.790 -14.909 -5.670 1.00 0.00 C ATOM 1391 CG ARG A 91 10.666 -13.795 -5.119 1.00 0.00 C ATOM 1392 CD ARG A 91 11.337 -13.006 -6.235 1.00 0.00 C ATOM 1393 NE ARG A 91 12.723 -13.426 -6.454 1.00 0.00 N ATOM 1394 CZ ARG A 91 13.633 -12.697 -7.107 1.00 0.00 C ATOM 1395 NH1 ARG A 91 13.309 -11.511 -7.623 1.00 0.00 N ATOM 1396 NH2 ARG A 91 14.874 -13.157 -7.247 1.00 0.00 N ATOM 0 H ARG A 91 8.221 -16.586 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 91 8.141 -13.798 -4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.028 -15.837 -5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 91 10.030 -15.062 -6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.061 -13.123 -4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.427 -14.220 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.771 -13.132 -7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 91 11.315 -11.944 -5.990 1.00 0.00 H new ATOM 0 HE ARG A 91 13.012 -14.332 -6.085 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.359 -11.153 -7.521 1.00 0.00 H new ATOM 0 HH12 ARG A 91 14.011 -10.962 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 91 15.129 -14.064 -6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.570 -12.602 -7.745 1.00 0.00 H new ATOM 1410 N ALA A 92 7.283 -15.261 -7.669 1.00 0.00 N ATOM 1411 CA ALA A 92 6.688 -15.032 -8.985 1.00 0.00 C ATOM 1412 C ALA A 92 5.202 -14.685 -8.861 1.00 0.00 C ATOM 1413 O ALA A 92 4.673 -13.900 -9.650 1.00 0.00 O ATOM 1414 CB ALA A 92 6.870 -16.261 -9.866 1.00 0.00 C ATOM 0 H ALA A 92 7.346 -16.243 -7.402 1.00 0.00 H new ATOM 0 HA ALA A 92 7.198 -14.186 -9.447 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.423 -16.078 -10.843 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.933 -16.468 -9.987 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.384 -17.118 -9.400 1.00 0.00 H new ATOM 1420 N LYS A 93 4.539 -15.282 -7.866 1.00 0.00 N ATOM 1421 CA LYS A 93 3.113 -15.051 -7.623 1.00 0.00 C ATOM 1422 C LYS A 93 2.812 -13.565 -7.428 1.00 0.00 C ATOM 1423 O LYS A 93 1.839 -13.046 -7.976 1.00 0.00 O ATOM 1424 CB LYS A 93 2.656 -15.840 -6.394 1.00 0.00 C ATOM 1425 CG LYS A 93 1.246 -16.394 -6.513 1.00 0.00 C ATOM 1426 CD LYS A 93 1.233 -17.763 -7.173 1.00 0.00 C ATOM 1427 CE LYS A 93 0.099 -18.627 -6.641 1.00 0.00 C ATOM 1428 NZ LYS A 93 0.251 -20.057 -7.034 1.00 0.00 N ATOM 0 H LYS A 93 4.972 -15.934 -7.212 1.00 0.00 H new ATOM 0 HA LYS A 93 2.565 -15.394 -8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.348 -16.665 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.710 -15.194 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.798 -16.464 -5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.632 -15.705 -7.093 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.128 -17.647 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.186 -18.262 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.066 -18.552 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.852 -18.248 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.543 -20.609 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.257 -20.133 -8.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.146 -20.428 -6.655 1.00 0.00 H new ATOM 1442 N THR A 94 3.652 -12.882 -6.644 1.00 0.00 N ATOM 1443 CA THR A 94 3.471 -11.452 -6.385 1.00 0.00 C ATOM 1444 C THR A 94 3.557 -10.649 -7.689 1.00 0.00 C ATOM 1445 O THR A 94 2.859 -9.645 -7.849 1.00 0.00 O ATOM 1446 CB THR A 94 4.509 -10.946 -5.368 1.00 0.00 C ATOM 1447 OG1 THR A 94 4.344 -9.559 -5.115 1.00 0.00 O ATOM 1448 CG2 THR A 94 5.945 -11.171 -5.793 1.00 0.00 C ATOM 0 H THR A 94 4.461 -13.295 -6.180 1.00 0.00 H new ATOM 0 HA THR A 94 2.478 -11.308 -5.959 1.00 0.00 H new ATOM 0 HB THR A 94 4.324 -11.534 -4.469 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.015 -9.263 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.616 -10.788 -5.024 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.121 -12.238 -5.929 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.133 -10.649 -6.732 1.00 0.00 H new ATOM 1456 N GLY A 95 4.405 -11.103 -8.620 1.00 0.00 N ATOM 1457 CA GLY A 95 4.552 -10.422 -9.898 1.00 0.00 C ATOM 1458 C GLY A 95 3.257 -10.402 -10.686 1.00 0.00 C ATOM 1459 O GLY A 95 2.832 -9.351 -11.171 1.00 0.00 O ATOM 0 H GLY A 95 4.991 -11.930 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.887 -9.399 -9.727 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.326 -10.917 -10.485 1.00 0.00 H new ATOM 1463 N THR A 96 2.621 -11.569 -10.802 1.00 0.00 N ATOM 1464 CA THR A 96 1.354 -11.691 -11.521 1.00 0.00 C ATOM 1465 C THR A 96 0.241 -10.939 -10.788 1.00 0.00 C ATOM 1466 O THR A 96 -0.612 -10.310 -11.419 1.00 0.00 O ATOM 1467 CB THR A 96 0.969 -13.167 -11.692 1.00 0.00 C ATOM 1468 OG1 THR A 96 1.563 -13.972 -10.687 1.00 0.00 O ATOM 1469 CG2 THR A 96 1.376 -13.740 -13.032 1.00 0.00 C ATOM 0 H THR A 96 2.964 -12.444 -10.406 1.00 0.00 H new ATOM 0 HA THR A 96 1.482 -11.247 -12.508 1.00 0.00 H new ATOM 0 HB THR A 96 -0.118 -13.185 -11.616 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.439 -13.548 -9.812 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.074 -14.786 -13.087 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.890 -13.179 -13.830 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.458 -13.668 -13.145 1.00 0.00 H new ATOM 1477 N ASP A 97 0.262 -11.006 -9.453 1.00 0.00 N ATOM 1478 CA ASP A 97 -0.739 -10.330 -8.627 1.00 0.00 C ATOM 1479 C ASP A 97 -0.704 -8.820 -8.847 1.00 0.00 C ATOM 1480 O ASP A 97 -1.748 -8.184 -8.999 1.00 0.00 O ATOM 1481 CB ASP A 97 -0.503 -10.641 -7.145 1.00 0.00 C ATOM 1482 CG ASP A 97 -1.265 -11.863 -6.660 1.00 0.00 C ATOM 1483 OD1 ASP A 97 -1.561 -12.758 -7.483 1.00 0.00 O ATOM 1484 OD2 ASP A 97 -1.559 -11.928 -5.448 1.00 0.00 O ATOM 0 H ASP A 97 0.963 -11.523 -8.922 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.721 -10.700 -8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.563 -10.796 -6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.797 -9.777 -6.548 1.00 0.00 H new ATOM 1489 N LYS A 98 0.506 -8.256 -8.870 1.00 0.00 N ATOM 1490 CA LYS A 98 0.682 -6.820 -9.080 1.00 0.00 C ATOM 1491 C LYS A 98 0.078 -6.383 -10.414 1.00 0.00 C ATOM 1492 O LYS A 98 -0.383 -5.250 -10.551 1.00 0.00 O ATOM 1493 CB LYS A 98 2.168 -6.451 -9.031 1.00 0.00 C ATOM 1494 CG LYS A 98 2.419 -4.961 -8.846 1.00 0.00 C ATOM 1495 CD LYS A 98 3.682 -4.700 -8.039 1.00 0.00 C ATOM 1496 CE LYS A 98 4.918 -4.649 -8.926 1.00 0.00 C ATOM 1497 NZ LYS A 98 6.081 -5.345 -8.303 1.00 0.00 N ATOM 0 H LYS A 98 1.377 -8.773 -8.746 1.00 0.00 H new ATOM 0 HA LYS A 98 0.160 -6.297 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.642 -6.995 -8.214 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.646 -6.780 -9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.505 -4.482 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.565 -4.508 -8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.581 -3.757 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.804 -5.483 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.693 -5.109 -9.888 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.180 -3.610 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.961 -5.026 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.115 -5.123 -7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.979 -6.372 -8.429 1.00 0.00 H new ATOM 1511 N THR A 99 0.073 -7.292 -11.390 1.00 0.00 N ATOM 1512 CA THR A 99 -0.484 -7.002 -12.709 1.00 0.00 C ATOM 1513 C THR A 99 -2.012 -6.928 -12.640 1.00 0.00 C ATOM 1514 O THR A 99 -2.621 -6.010 -13.193 1.00 0.00 O ATOM 1515 CB THR A 99 -0.047 -8.074 -13.717 1.00 0.00 C ATOM 1516 OG1 THR A 99 1.365 -8.210 -13.725 1.00 0.00 O ATOM 1517 CG2 THR A 99 -0.488 -7.785 -15.137 1.00 0.00 C ATOM 0 H THR A 99 0.449 -8.235 -11.290 1.00 0.00 H new ATOM 0 HA THR A 99 -0.106 -6.035 -13.041 1.00 0.00 H new ATOM 0 HB THR A 99 -0.532 -8.992 -13.386 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.659 -8.617 -12.884 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.144 -8.584 -15.794 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.576 -7.726 -15.175 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.062 -6.837 -15.465 1.00 0.00 H new ATOM 1525 N LEU A 100 -2.623 -7.897 -11.952 1.00 0.00 N ATOM 1526 CA LEU A 100 -4.074 -7.947 -11.803 1.00 0.00 C ATOM 1527 C LEU A 100 -4.593 -6.719 -11.055 1.00 0.00 C ATOM 1528 O LEU A 100 -5.554 -6.080 -11.486 1.00 0.00 O ATOM 1529 CB LEU A 100 -4.479 -9.224 -11.062 1.00 0.00 C ATOM 1530 CG LEU A 100 -4.085 -10.533 -11.755 1.00 0.00 C ATOM 1531 CD1 LEU A 100 -3.779 -11.613 -10.727 1.00 0.00 C ATOM 1532 CD2 LEU A 100 -5.189 -10.988 -12.701 1.00 0.00 C ATOM 0 H LEU A 100 -2.129 -8.660 -11.488 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.519 -7.951 -12.798 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.029 -9.207 -10.069 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.560 -9.217 -10.922 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.183 -10.355 -12.340 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.501 -12.534 -11.239 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.955 -11.288 -10.092 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.662 -11.791 -10.113 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.893 -11.919 -13.185 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.108 -11.148 -12.137 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.357 -10.223 -13.459 1.00 0.00 H new ATOM 1544 N VAL A 101 -3.947 -6.391 -9.932 1.00 0.00 N ATOM 1545 CA VAL A 101 -4.339 -5.234 -9.124 1.00 0.00 C ATOM 1546 C VAL A 101 -4.098 -3.923 -9.880 1.00 0.00 C ATOM 1547 O VAL A 101 -4.847 -2.960 -9.716 1.00 0.00 O ATOM 1548 CB VAL A 101 -3.583 -5.205 -7.774 1.00 0.00 C ATOM 1549 CG1 VAL A 101 -2.092 -4.986 -7.986 1.00 0.00 C ATOM 1550 CG2 VAL A 101 -4.161 -4.139 -6.852 1.00 0.00 C ATOM 0 H VAL A 101 -3.151 -6.911 -9.563 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.406 -5.332 -8.922 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.715 -6.176 -7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.586 -4.970 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.688 -5.795 -8.594 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.933 -4.035 -8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.614 -4.137 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.071 -3.161 -7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.212 -4.355 -6.661 1.00 0.00 H new ATOM 1560 N LYS A 102 -3.058 -3.897 -10.716 1.00 0.00 N ATOM 1561 CA LYS A 102 -2.730 -2.711 -11.507 1.00 0.00 C ATOM 1562 C LYS A 102 -3.795 -2.457 -12.573 1.00 0.00 C ATOM 1563 O LYS A 102 -4.146 -1.310 -12.852 1.00 0.00 O ATOM 1564 CB LYS A 102 -1.365 -2.885 -12.176 1.00 0.00 C ATOM 1565 CG LYS A 102 -0.829 -1.611 -12.805 1.00 0.00 C ATOM 1566 CD LYS A 102 0.541 -1.252 -12.254 1.00 0.00 C ATOM 1567 CE LYS A 102 1.454 -0.715 -13.344 1.00 0.00 C ATOM 1568 NZ LYS A 102 1.112 0.686 -13.715 1.00 0.00 N ATOM 0 H LYS A 102 -2.428 -4.686 -10.862 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.697 -1.853 -10.835 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.650 -3.243 -11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.442 -3.655 -12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.766 -1.736 -13.886 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.523 -0.792 -12.619 1.00 0.00 H new ATOM 0 HD2 LYS A 102 0.434 -0.506 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.994 -2.133 -11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.489 -0.758 -13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 102 1.381 -1.352 -14.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.586 0.935 -14.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 0.082 0.772 -13.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.428 1.331 -12.963 1.00 0.00 H new ATOM 1582 N GLU A 103 -4.302 -3.540 -13.164 1.00 0.00 N ATOM 1583 CA GLU A 103 -5.325 -3.447 -14.200 1.00 0.00 C ATOM 1584 C GLU A 103 -6.649 -2.948 -13.620 1.00 0.00 C ATOM 1585 O GLU A 103 -7.277 -2.046 -14.178 1.00 0.00 O ATOM 1586 CB GLU A 103 -5.520 -4.811 -14.873 1.00 0.00 C ATOM 1587 CG GLU A 103 -5.577 -4.742 -16.391 1.00 0.00 C ATOM 1588 CD GLU A 103 -6.881 -4.156 -16.900 1.00 0.00 C ATOM 1589 OE1 GLU A 103 -7.897 -4.886 -16.904 1.00 0.00 O ATOM 1590 OE2 GLU A 103 -6.886 -2.972 -17.292 1.00 0.00 O ATOM 0 H GLU A 103 -4.018 -4.494 -12.940 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.990 -2.727 -14.947 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.704 -5.471 -14.579 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.442 -5.260 -14.504 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.745 -4.139 -16.755 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.448 -5.743 -16.802 1.00 0.00 H new ATOM 1597 N VAL A 104 -7.066 -3.534 -12.496 1.00 0.00 N ATOM 1598 CA VAL A 104 -8.313 -3.144 -11.838 1.00 0.00 C ATOM 1599 C VAL A 104 -8.200 -1.758 -11.186 1.00 0.00 C ATOM 1600 O VAL A 104 -9.178 -1.011 -11.136 1.00 0.00 O ATOM 1601 CB VAL A 104 -8.745 -4.190 -10.779 1.00 0.00 C ATOM 1602 CG1 VAL A 104 -7.731 -4.281 -9.647 1.00 0.00 C ATOM 1603 CG2 VAL A 104 -10.134 -3.878 -10.238 1.00 0.00 C ATOM 0 H VAL A 104 -6.557 -4.281 -12.023 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.077 -3.098 -12.614 1.00 0.00 H new ATOM 0 HB VAL A 104 -8.784 -5.162 -11.271 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.062 -5.023 -8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.762 -4.575 -10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.642 -3.310 -9.159 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.413 -4.627 -9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.131 -2.892 -9.774 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.854 -3.891 -11.056 1.00 0.00 H new ATOM 1613 N VAL A 105 -7.005 -1.418 -10.691 1.00 0.00 N ATOM 1614 CA VAL A 105 -6.777 -0.123 -10.052 1.00 0.00 C ATOM 1615 C VAL A 105 -5.901 0.767 -10.932 1.00 0.00 C ATOM 1616 O VAL A 105 -4.672 0.725 -10.851 1.00 0.00 O ATOM 1617 CB VAL A 105 -6.125 -0.277 -8.659 1.00 0.00 C ATOM 1618 CG1 VAL A 105 -6.069 1.065 -7.934 1.00 0.00 C ATOM 1619 CG2 VAL A 105 -6.879 -1.306 -7.828 1.00 0.00 C ATOM 0 H VAL A 105 -6.184 -2.022 -10.722 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.753 0.345 -9.922 1.00 0.00 H new ATOM 0 HB VAL A 105 -5.103 -0.629 -8.798 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.606 0.931 -6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.481 1.771 -8.520 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.080 1.452 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.406 -1.401 -6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -7.913 -0.984 -7.701 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.859 -2.270 -8.337 1.00 0.00 H new ATOM 1629 N GLN A 106 -6.549 1.570 -11.774 1.00 0.00 N ATOM 1630 CA GLN A 106 -5.843 2.477 -12.678 1.00 0.00 C ATOM 1631 C GLN A 106 -5.802 3.897 -12.110 1.00 0.00 C ATOM 1632 O GLN A 106 -4.812 4.610 -12.282 1.00 0.00 O ATOM 1633 CB GLN A 106 -6.513 2.482 -14.056 1.00 0.00 C ATOM 1634 CG GLN A 106 -6.651 1.098 -14.677 1.00 0.00 C ATOM 1635 CD GLN A 106 -5.360 0.598 -15.305 1.00 0.00 C ATOM 1636 OE1 GLN A 106 -4.320 1.255 -15.233 1.00 0.00 O ATOM 1637 NE2 GLN A 106 -5.418 -0.574 -15.928 1.00 0.00 N ATOM 0 H GLN A 106 -7.565 1.611 -11.849 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.818 2.120 -12.781 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.502 2.930 -13.967 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.935 3.116 -14.728 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.973 0.393 -13.911 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -7.432 1.123 -15.437 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.298 -1.088 -15.966 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.582 -0.960 -16.368 1.00 0.00 H new ATOM 1646 N ASN A 107 -6.880 4.302 -11.434 1.00 0.00 N ATOM 1647 CA ASN A 107 -6.962 5.635 -10.844 1.00 0.00 C ATOM 1648 C ASN A 107 -6.191 5.694 -9.524 1.00 0.00 C ATOM 1649 O ASN A 107 -6.782 5.620 -8.443 1.00 0.00 O ATOM 1650 CB ASN A 107 -8.426 6.032 -10.619 1.00 0.00 C ATOM 1651 CG ASN A 107 -9.150 6.342 -11.916 1.00 0.00 C ATOM 1652 OD1 ASN A 107 -9.902 5.513 -12.430 1.00 0.00 O ATOM 1653 ND2 ASN A 107 -8.928 7.536 -12.453 1.00 0.00 N ATOM 0 H ASN A 107 -7.707 3.724 -11.283 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.509 6.342 -11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.943 5.223 -10.102 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.466 6.904 -9.967 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.388 7.797 -13.325 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.297 8.193 -11.993 1.00 0.00 H new ATOM 1660 N PHE A 108 -4.870 5.830 -9.622 1.00 0.00 N ATOM 1661 CA PHE A 108 -4.010 5.904 -8.440 1.00 0.00 C ATOM 1662 C PHE A 108 -3.100 7.133 -8.504 1.00 0.00 C ATOM 1663 O PHE A 108 -3.155 7.906 -9.462 1.00 0.00 O ATOM 1664 CB PHE A 108 -3.171 4.624 -8.304 1.00 0.00 C ATOM 1665 CG PHE A 108 -2.335 4.303 -9.514 1.00 0.00 C ATOM 1666 CD1 PHE A 108 -1.167 5.004 -9.774 1.00 0.00 C ATOM 1667 CD2 PHE A 108 -2.717 3.298 -10.388 1.00 0.00 C ATOM 1668 CE1 PHE A 108 -0.399 4.709 -10.885 1.00 0.00 C ATOM 1669 CE2 PHE A 108 -1.953 2.999 -11.499 1.00 0.00 C ATOM 1670 CZ PHE A 108 -0.792 3.705 -11.749 1.00 0.00 C ATOM 0 H PHE A 108 -4.370 5.891 -10.509 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.648 5.997 -7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -2.515 4.723 -7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -3.838 3.785 -8.104 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -0.854 5.789 -9.101 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.623 2.742 -10.198 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.508 5.263 -11.077 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -2.263 2.213 -12.172 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.193 3.473 -12.617 1.00 0.00 H new ATOM 1680 N ALA A 109 -2.263 7.307 -7.480 1.00 0.00 N ATOM 1681 CA ALA A 109 -1.343 8.442 -7.423 1.00 0.00 C ATOM 1682 C ALA A 109 0.110 7.984 -7.509 1.00 0.00 C ATOM 1683 O ALA A 109 0.881 8.501 -8.319 1.00 0.00 O ATOM 1684 CB ALA A 109 -1.566 9.249 -6.151 1.00 0.00 C ATOM 0 H ALA A 109 -2.204 6.677 -6.680 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.548 9.078 -8.284 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.872 10.089 -6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.590 9.623 -6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.396 8.613 -5.282 1.00 0.00 H new ATOM 1690 N LYS A 110 0.481 7.018 -6.666 1.00 0.00 N ATOM 1691 CA LYS A 110 1.846 6.499 -6.648 1.00 0.00 C ATOM 1692 C LYS A 110 1.866 5.004 -6.335 1.00 0.00 C ATOM 1693 O LYS A 110 0.982 4.493 -5.644 1.00 0.00 O ATOM 1694 CB LYS A 110 2.687 7.262 -5.621 1.00 0.00 C ATOM 1695 CG LYS A 110 3.369 8.496 -6.191 1.00 0.00 C ATOM 1696 CD LYS A 110 3.491 9.602 -5.154 1.00 0.00 C ATOM 1697 CE LYS A 110 3.093 10.955 -5.727 1.00 0.00 C ATOM 1698 NZ LYS A 110 1.617 11.162 -5.709 1.00 0.00 N ATOM 0 H LYS A 110 -0.145 6.582 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 110 2.274 6.643 -7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 110 2.048 7.561 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.445 6.593 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.361 8.228 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 110 2.803 8.861 -7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 110 2.859 9.369 -4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.517 9.648 -4.790 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.576 11.747 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 110 3.457 11.035 -6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.408 12.177 -5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.185 10.650 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.227 10.803 -4.814 1.00 0.00 H new ATOM 1712 N GLU A 111 2.881 4.313 -6.853 1.00 0.00 N ATOM 1713 CA GLU A 111 3.028 2.874 -6.638 1.00 0.00 C ATOM 1714 C GLU A 111 4.498 2.461 -6.700 1.00 0.00 C ATOM 1715 O GLU A 111 5.202 2.786 -7.659 1.00 0.00 O ATOM 1716 CB GLU A 111 2.219 2.093 -7.684 1.00 0.00 C ATOM 1717 CG GLU A 111 2.385 2.620 -9.106 1.00 0.00 C ATOM 1718 CD GLU A 111 1.654 1.786 -10.145 1.00 0.00 C ATOM 1719 OE1 GLU A 111 0.495 1.392 -9.891 1.00 0.00 O ATOM 1720 OE2 GLU A 111 2.241 1.532 -11.218 1.00 0.00 O ATOM 0 H GLU A 111 3.616 4.728 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 111 2.645 2.639 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 111 2.521 1.046 -7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 111 1.164 2.128 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 111 2.019 3.646 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.446 2.649 -9.354 1.00 0.00 H new ATOM 1727 N PHE A 112 4.956 1.742 -5.675 1.00 0.00 N ATOM 1728 CA PHE A 112 6.344 1.284 -5.619 1.00 0.00 C ATOM 1729 C PHE A 112 6.503 0.108 -4.657 1.00 0.00 C ATOM 1730 O PHE A 112 5.669 -0.107 -3.775 1.00 0.00 O ATOM 1731 CB PHE A 112 7.283 2.427 -5.206 1.00 0.00 C ATOM 1732 CG PHE A 112 6.793 3.238 -4.036 1.00 0.00 C ATOM 1733 CD1 PHE A 112 5.985 4.347 -4.235 1.00 0.00 C ATOM 1734 CD2 PHE A 112 7.146 2.894 -2.742 1.00 0.00 C ATOM 1735 CE1 PHE A 112 5.536 5.096 -3.164 1.00 0.00 C ATOM 1736 CE2 PHE A 112 6.700 3.640 -1.666 1.00 0.00 C ATOM 1737 CZ PHE A 112 5.895 4.742 -1.878 1.00 0.00 C ATOM 0 H PHE A 112 4.388 1.465 -4.874 1.00 0.00 H new ATOM 0 HA PHE A 112 6.616 0.949 -6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.259 2.009 -4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.426 3.091 -6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.703 4.629 -5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 112 7.776 2.034 -2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.906 5.957 -3.332 1.00 0.00 H new ATOM 0 HE2 PHE A 112 6.981 3.361 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.547 5.326 -1.039 1.00 0.00 H new ATOM 1747 N VAL A 113 7.584 -0.646 -4.837 1.00 0.00 N ATOM 1748 CA VAL A 113 7.869 -1.801 -3.990 1.00 0.00 C ATOM 1749 C VAL A 113 8.843 -1.426 -2.874 1.00 0.00 C ATOM 1750 O VAL A 113 9.726 -0.587 -3.066 1.00 0.00 O ATOM 1751 CB VAL A 113 8.456 -2.973 -4.813 1.00 0.00 C ATOM 1752 CG1 VAL A 113 8.558 -4.233 -3.965 1.00 0.00 C ATOM 1753 CG2 VAL A 113 7.616 -3.235 -6.057 1.00 0.00 C ATOM 0 H VAL A 113 8.279 -0.477 -5.564 1.00 0.00 H new ATOM 0 HA VAL A 113 6.924 -2.122 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 113 9.460 -2.691 -5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 113 8.973 -5.043 -4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.208 -4.045 -3.110 1.00 0.00 H new ATOM 0 HG13 VAL A 113 7.566 -4.515 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.048 -4.063 -6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.598 -3.489 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.601 -2.341 -6.681 1.00 0.00 H new ATOM 1763 N ILE A 114 8.673 -2.051 -1.708 1.00 0.00 N ATOM 1764 CA ILE A 114 9.534 -1.784 -0.557 1.00 0.00 C ATOM 1765 C ILE A 114 10.006 -3.087 0.086 1.00 0.00 C ATOM 1766 O ILE A 114 9.267 -4.073 0.127 1.00 0.00 O ATOM 1767 CB ILE A 114 8.808 -0.926 0.506 1.00 0.00 C ATOM 1768 CG1 ILE A 114 8.268 0.361 -0.125 1.00 0.00 C ATOM 1769 CG2 ILE A 114 9.740 -0.599 1.666 1.00 0.00 C ATOM 1770 CD1 ILE A 114 7.471 1.218 0.834 1.00 0.00 C ATOM 0 H ILE A 114 7.946 -2.746 -1.537 1.00 0.00 H new ATOM 0 HA ILE A 114 10.397 -1.230 -0.926 1.00 0.00 H new ATOM 0 HB ILE A 114 7.969 -1.502 0.895 1.00 0.00 H new ATOM 0 HG12 ILE A 114 9.104 0.944 -0.512 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.639 0.102 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.208 0.005 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.078 -1.524 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.601 -0.044 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 114 7.121 2.112 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.615 0.652 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 114 8.102 1.508 1.674 1.00 0.00 H new ATOM 1782 N SER A 115 11.243 -3.081 0.586 1.00 0.00 N ATOM 1783 CA SER A 115 11.823 -4.258 1.231 1.00 0.00 C ATOM 1784 C SER A 115 12.600 -3.868 2.494 1.00 0.00 C ATOM 1785 O SER A 115 13.586 -4.515 2.857 1.00 0.00 O ATOM 1786 CB SER A 115 12.736 -4.995 0.246 1.00 0.00 C ATOM 1787 OG SER A 115 12.545 -6.398 0.327 1.00 0.00 O ATOM 0 H SER A 115 11.863 -2.272 0.556 1.00 0.00 H new ATOM 0 HA SER A 115 11.012 -4.922 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.531 -4.655 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.777 -4.753 0.459 1.00 0.00 H new ATOM 0 HG SER A 115 13.138 -6.846 -0.312 1.00 0.00 H new ATOM 1793 N ASP A 116 12.148 -2.802 3.162 1.00 0.00 N ATOM 1794 CA ASP A 116 12.792 -2.321 4.380 1.00 0.00 C ATOM 1795 C ASP A 116 11.766 -1.722 5.339 1.00 0.00 C ATOM 1796 O ASP A 116 10.834 -1.034 4.916 1.00 0.00 O ATOM 1797 CB ASP A 116 13.861 -1.280 4.041 1.00 0.00 C ATOM 1798 CG ASP A 116 14.631 -0.830 5.266 1.00 0.00 C ATOM 1799 OD1 ASP A 116 15.317 -1.675 5.882 1.00 0.00 O ATOM 1800 OD2 ASP A 116 14.541 0.365 5.614 1.00 0.00 O ATOM 0 H ASP A 116 11.335 -2.257 2.875 1.00 0.00 H new ATOM 0 HA ASP A 116 13.267 -3.171 4.870 1.00 0.00 H new ATOM 0 HB2 ASP A 116 14.555 -1.698 3.312 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.389 -0.416 3.573 1.00 0.00 H new ATOM 1805 N ARG A 117 11.951 -1.989 6.632 1.00 0.00 N ATOM 1806 CA ARG A 117 11.053 -1.484 7.668 1.00 0.00 C ATOM 1807 C ARG A 117 11.029 0.044 7.691 1.00 0.00 C ATOM 1808 O ARG A 117 9.989 0.648 7.956 1.00 0.00 O ATOM 1809 CB ARG A 117 11.471 -2.020 9.038 1.00 0.00 C ATOM 1810 CG ARG A 117 10.933 -3.411 9.342 1.00 0.00 C ATOM 1811 CD ARG A 117 12.056 -4.404 9.614 1.00 0.00 C ATOM 1812 NE ARG A 117 12.589 -4.985 8.379 1.00 0.00 N ATOM 1813 CZ ARG A 117 13.743 -4.616 7.806 1.00 0.00 C ATOM 1814 NH1 ARG A 117 14.497 -3.659 8.349 1.00 0.00 N ATOM 1815 NH2 ARG A 117 14.140 -5.203 6.682 1.00 0.00 N ATOM 0 H ARG A 117 12.721 -2.556 6.987 1.00 0.00 H new ATOM 0 HA ARG A 117 10.047 -1.834 7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 117 12.559 -2.041 9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 117 11.126 -1.330 9.809 1.00 0.00 H new ATOM 0 HG2 ARG A 117 10.272 -3.364 10.207 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.334 -3.761 8.501 1.00 0.00 H new ATOM 0 HD2 ARG A 117 12.859 -3.903 10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 117 11.686 -5.201 10.259 1.00 0.00 H new ATOM 0 HE ARG A 117 12.046 -5.719 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 117 14.197 -3.200 9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 117 15.373 -3.386 7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.567 -5.932 6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 117 15.018 -4.924 6.244 1.00 0.00 H new ATOM 1829 N LYS A 118 12.177 0.664 7.408 1.00 0.00 N ATOM 1830 CA LYS A 118 12.274 2.126 7.393 1.00 0.00 C ATOM 1831 C LYS A 118 11.624 2.698 6.135 1.00 0.00 C ATOM 1832 O LYS A 118 10.974 3.744 6.183 1.00 0.00 O ATOM 1833 CB LYS A 118 13.736 2.574 7.476 1.00 0.00 C ATOM 1834 CG LYS A 118 13.913 3.977 8.039 1.00 0.00 C ATOM 1835 CD LYS A 118 15.017 4.730 7.312 1.00 0.00 C ATOM 1836 CE LYS A 118 14.894 6.235 7.506 1.00 0.00 C ATOM 1837 NZ LYS A 118 13.665 6.788 6.864 1.00 0.00 N ATOM 0 H LYS A 118 13.048 0.180 7.187 1.00 0.00 H new ATOM 0 HA LYS A 118 11.742 2.506 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 118 14.288 1.870 8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 118 14.177 2.533 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 118 12.976 4.527 7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 118 14.149 3.918 9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 118 15.988 4.394 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 118 14.978 4.496 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 118 14.879 6.462 8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 118 15.773 6.726 7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 13.793 7.805 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 13.495 6.299 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 12.850 6.645 7.494 1.00 0.00 H new ATOM 1851 N GLU A 119 11.796 1.998 5.010 1.00 0.00 N ATOM 1852 CA GLU A 119 11.217 2.430 3.741 1.00 0.00 C ATOM 1853 C GLU A 119 9.694 2.343 3.782 1.00 0.00 C ATOM 1854 O GLU A 119 9.000 3.269 3.360 1.00 0.00 O ATOM 1855 CB GLU A 119 11.760 1.581 2.592 1.00 0.00 C ATOM 1856 CG GLU A 119 13.178 1.945 2.194 1.00 0.00 C ATOM 1857 CD GLU A 119 13.572 1.359 0.854 1.00 0.00 C ATOM 1858 OE1 GLU A 119 13.999 0.185 0.822 1.00 0.00 O ATOM 1859 OE2 GLU A 119 13.452 2.073 -0.164 1.00 0.00 O ATOM 0 H GLU A 119 12.331 1.131 4.955 1.00 0.00 H new ATOM 0 HA GLU A 119 11.499 3.470 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.729 0.530 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.107 1.693 1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.274 3.030 2.155 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.869 1.591 2.959 1.00 0.00 H new ATOM 1866 N LEU A 120 9.179 1.229 4.303 1.00 0.00 N ATOM 1867 CA LEU A 120 7.734 1.026 4.409 1.00 0.00 C ATOM 1868 C LEU A 120 7.125 1.914 5.497 1.00 0.00 C ATOM 1869 O LEU A 120 5.926 2.192 5.470 1.00 0.00 O ATOM 1870 CB LEU A 120 7.415 -0.445 4.695 1.00 0.00 C ATOM 1871 CG LEU A 120 7.943 -0.987 6.028 1.00 0.00 C ATOM 1872 CD1 LEU A 120 6.941 -0.737 7.147 1.00 0.00 C ATOM 1873 CD2 LEU A 120 8.257 -2.469 5.910 1.00 0.00 C ATOM 0 H LEU A 120 9.740 0.454 4.658 1.00 0.00 H new ATOM 0 HA LEU A 120 7.292 1.306 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.333 -0.575 4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.826 -1.051 3.888 1.00 0.00 H new ATOM 0 HG LEU A 120 8.864 -0.458 6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.336 -1.130 8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.767 0.334 7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.001 -1.236 6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.631 -2.839 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.352 -3.012 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 120 9.014 -2.620 5.141 1.00 0.00 H new ATOM 1885 N GLU A 121 7.954 2.355 6.452 1.00 0.00 N ATOM 1886 CA GLU A 121 7.498 3.210 7.544 1.00 0.00 C ATOM 1887 C GLU A 121 6.663 4.371 7.013 1.00 0.00 C ATOM 1888 O GLU A 121 7.040 5.025 6.039 1.00 0.00 O ATOM 1889 CB GLU A 121 8.700 3.743 8.330 1.00 0.00 C ATOM 1890 CG GLU A 121 8.328 4.441 9.631 1.00 0.00 C ATOM 1891 CD GLU A 121 9.402 5.400 10.125 1.00 0.00 C ATOM 1892 OE1 GLU A 121 10.234 5.851 9.306 1.00 0.00 O ATOM 1893 OE2 GLU A 121 9.407 5.704 11.335 1.00 0.00 O ATOM 0 H GLU A 121 8.948 2.130 6.486 1.00 0.00 H new ATOM 0 HA GLU A 121 6.872 2.614 8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.372 2.914 8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.253 4.440 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.397 4.990 9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.140 3.690 10.398 1.00 0.00 H new ATOM 1900 N GLU A 122 5.522 4.610 7.659 1.00 0.00 N ATOM 1901 CA GLU A 122 4.609 5.687 7.263 1.00 0.00 C ATOM 1902 C GLU A 122 5.339 7.019 7.074 1.00 0.00 C ATOM 1903 O GLU A 122 4.969 7.810 6.207 1.00 0.00 O ATOM 1904 CB GLU A 122 3.496 5.859 8.299 1.00 0.00 C ATOM 1905 CG GLU A 122 2.165 6.275 7.688 1.00 0.00 C ATOM 1906 CD GLU A 122 1.226 6.917 8.693 1.00 0.00 C ATOM 1907 OE1 GLU A 122 1.643 7.885 9.368 1.00 0.00 O ATOM 1908 OE2 GLU A 122 0.070 6.457 8.800 1.00 0.00 O ATOM 0 H GLU A 122 5.205 4.070 8.464 1.00 0.00 H new ATOM 0 HA GLU A 122 4.176 5.398 6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 122 3.363 4.921 8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 122 3.802 6.607 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 122 2.349 6.974 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 122 1.681 5.400 7.255 1.00 0.00 H new ATOM 1915 N ASN A 123 6.377 7.260 7.880 1.00 0.00 N ATOM 1916 CA ASN A 123 7.152 8.497 7.781 1.00 0.00 C ATOM 1917 C ASN A 123 7.774 8.622 6.393 1.00 0.00 C ATOM 1918 O ASN A 123 7.705 9.677 5.762 1.00 0.00 O ATOM 1919 CB ASN A 123 8.251 8.532 8.847 1.00 0.00 C ATOM 1920 CG ASN A 123 7.804 9.212 10.129 1.00 0.00 C ATOM 1921 OD1 ASN A 123 7.321 10.344 10.107 1.00 0.00 O ATOM 1922 ND2 ASN A 123 7.965 8.526 11.255 1.00 0.00 N ATOM 0 H ASN A 123 6.698 6.618 8.604 1.00 0.00 H new ATOM 0 HA ASN A 123 6.477 9.337 7.946 1.00 0.00 H new ATOM 0 HB2 ASN A 123 8.566 7.513 9.072 1.00 0.00 H new ATOM 0 HB3 ASN A 123 9.121 9.054 8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 123 7.684 8.935 12.146 1.00 0.00 H new ATOM 0 HD22 ASN A 123 8.370 7.590 11.229 1.00 0.00 H new ATOM 1929 N PHE A 124 8.373 7.527 5.925 1.00 0.00 N ATOM 1930 CA PHE A 124 9.006 7.490 4.611 1.00 0.00 C ATOM 1931 C PHE A 124 7.964 7.579 3.495 1.00 0.00 C ATOM 1932 O PHE A 124 8.146 8.318 2.526 1.00 0.00 O ATOM 1933 CB PHE A 124 9.827 6.208 4.462 1.00 0.00 C ATOM 1934 CG PHE A 124 10.731 6.210 3.262 1.00 0.00 C ATOM 1935 CD1 PHE A 124 12.026 6.693 3.358 1.00 0.00 C ATOM 1936 CD2 PHE A 124 10.285 5.735 2.039 1.00 0.00 C ATOM 1937 CE1 PHE A 124 12.859 6.701 2.257 1.00 0.00 C ATOM 1938 CE2 PHE A 124 11.115 5.740 0.934 1.00 0.00 C ATOM 1939 CZ PHE A 124 12.404 6.224 1.043 1.00 0.00 C ATOM 0 H PHE A 124 8.432 6.650 6.442 1.00 0.00 H new ATOM 0 HA PHE A 124 9.667 8.352 4.527 1.00 0.00 H new ATOM 0 HB2 PHE A 124 10.429 6.065 5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 124 9.149 5.358 4.394 1.00 0.00 H new ATOM 0 HD1 PHE A 124 12.388 7.067 4.304 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.278 5.357 1.948 1.00 0.00 H new ATOM 0 HE1 PHE A 124 13.866 7.080 2.345 1.00 0.00 H new ATOM 0 HE2 PHE A 124 10.756 5.366 -0.013 1.00 0.00 H new ATOM 0 HZ PHE A 124 13.055 6.230 0.181 1.00 0.00 H new ATOM 1949 N ILE A 125 6.873 6.824 3.642 1.00 0.00 N ATOM 1950 CA ILE A 125 5.798 6.816 2.648 1.00 0.00 C ATOM 1951 C ILE A 125 5.197 8.211 2.475 1.00 0.00 C ATOM 1952 O ILE A 125 4.984 8.667 1.351 1.00 0.00 O ATOM 1953 CB ILE A 125 4.674 5.824 3.036 1.00 0.00 C ATOM 1954 CG1 ILE A 125 5.257 4.437 3.338 1.00 0.00 C ATOM 1955 CG2 ILE A 125 3.627 5.738 1.930 1.00 0.00 C ATOM 1956 CD1 ILE A 125 6.087 3.861 2.211 1.00 0.00 C ATOM 0 H ILE A 125 6.711 6.210 4.440 1.00 0.00 H new ATOM 0 HA ILE A 125 6.242 6.496 1.706 1.00 0.00 H new ATOM 0 HB ILE A 125 4.188 6.194 3.939 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.874 4.500 4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 125 4.440 3.751 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.846 5.036 2.222 1.00 0.00 H new ATOM 0 HG22 ILE A 125 3.188 6.722 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 125 4.098 5.394 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.463 2.880 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.470 3.763 1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.926 4.524 2.001 1.00 0.00 H new ATOM 1968 N LYS A 126 4.935 8.885 3.598 1.00 0.00 N ATOM 1969 CA LYS A 126 4.367 10.234 3.576 1.00 0.00 C ATOM 1970 C LYS A 126 5.252 11.191 2.777 1.00 0.00 C ATOM 1971 O LYS A 126 4.750 12.034 2.031 1.00 0.00 O ATOM 1972 CB LYS A 126 4.179 10.759 5.004 1.00 0.00 C ATOM 1973 CG LYS A 126 2.734 11.092 5.337 1.00 0.00 C ATOM 1974 CD LYS A 126 2.577 11.555 6.778 1.00 0.00 C ATOM 1975 CE LYS A 126 1.164 11.309 7.291 1.00 0.00 C ATOM 1976 NZ LYS A 126 0.151 12.145 6.581 1.00 0.00 N ATOM 0 H LYS A 126 5.108 8.518 4.534 1.00 0.00 H new ATOM 0 HA LYS A 126 3.394 10.180 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.544 10.012 5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.791 11.651 5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 126 2.377 11.871 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 126 2.111 10.214 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.292 11.029 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.811 12.617 6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.913 10.255 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 126 1.125 11.523 8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.795 11.944 6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.373 13.152 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.168 11.923 5.565 1.00 0.00 H new ATOM 1990 N SER A 127 6.569 11.049 2.936 1.00 0.00 N ATOM 1991 CA SER A 127 7.527 11.894 2.226 1.00 0.00 C ATOM 1992 C SER A 127 7.567 11.536 0.740 1.00 0.00 C ATOM 1993 O SER A 127 7.532 12.419 -0.120 1.00 0.00 O ATOM 1994 CB SER A 127 8.920 11.748 2.850 1.00 0.00 C ATOM 1995 OG SER A 127 9.847 12.644 2.259 1.00 0.00 O ATOM 0 H SER A 127 6.995 10.356 3.551 1.00 0.00 H new ATOM 0 HA SER A 127 7.208 12.932 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.862 11.937 3.922 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.271 10.724 2.725 1.00 0.00 H new ATOM 0 HG SER A 127 10.726 12.529 2.678 1.00 0.00 H new ATOM 2001 N GLU A 128 7.634 10.234 0.449 1.00 0.00 N ATOM 2002 CA GLU A 128 7.670 9.742 -0.929 1.00 0.00 C ATOM 2003 C GLU A 128 6.455 10.223 -1.727 1.00 0.00 C ATOM 2004 O GLU A 128 6.575 10.573 -2.900 1.00 0.00 O ATOM 2005 CB GLU A 128 7.720 8.211 -0.939 1.00 0.00 C ATOM 2006 CG GLU A 128 8.114 7.619 -2.283 1.00 0.00 C ATOM 2007 CD GLU A 128 9.575 7.851 -2.619 1.00 0.00 C ATOM 2008 OE1 GLU A 128 10.445 7.372 -1.858 1.00 0.00 O ATOM 2009 OE2 GLU A 128 9.850 8.514 -3.642 1.00 0.00 O ATOM 0 H GLU A 128 7.665 9.498 1.155 1.00 0.00 H new ATOM 0 HA GLU A 128 8.567 10.141 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 128 8.429 7.875 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.742 7.823 -0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 128 7.913 6.548 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 128 7.492 8.056 -3.064 1.00 0.00 H new ATOM 2016 N LEU A 129 5.286 10.229 -1.083 1.00 0.00 N ATOM 2017 CA LEU A 129 4.050 10.662 -1.735 1.00 0.00 C ATOM 2018 C LEU A 129 4.024 12.177 -1.938 1.00 0.00 C ATOM 2019 O LEU A 129 3.530 12.661 -2.958 1.00 0.00 O ATOM 2020 CB LEU A 129 2.830 10.227 -0.916 1.00 0.00 C ATOM 2021 CG LEU A 129 2.126 8.965 -1.424 1.00 0.00 C ATOM 2022 CD1 LEU A 129 2.816 7.717 -0.892 1.00 0.00 C ATOM 2023 CD2 LEU A 129 0.656 8.977 -1.029 1.00 0.00 C ATOM 0 H LEU A 129 5.170 9.939 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 129 4.013 10.186 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 129 3.144 10.060 0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.110 11.045 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 129 2.187 8.951 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 129 2.302 6.831 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.853 7.703 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.788 7.722 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.173 8.073 -1.399 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.571 9.016 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 129 0.170 9.851 -1.462 1.00 0.00 H new ATOM 2035 N LYS A 130 4.549 12.919 -0.960 1.00 0.00 N ATOM 2036 CA LYS A 130 4.577 14.375 -1.030 1.00 0.00 C ATOM 2037 C LYS A 130 5.539 14.865 -2.110 1.00 0.00 C ATOM 2038 O LYS A 130 5.144 15.612 -3.007 1.00 0.00 O ATOM 2039 CB LYS A 130 4.975 14.951 0.330 1.00 0.00 C ATOM 2040 CG LYS A 130 4.760 16.448 0.445 1.00 0.00 C ATOM 2041 CD LYS A 130 3.307 16.827 0.205 1.00 0.00 C ATOM 2042 CE LYS A 130 3.056 18.295 0.507 1.00 0.00 C ATOM 2043 NZ LYS A 130 1.743 18.758 -0.025 1.00 0.00 N ATOM 0 H LYS A 130 4.960 12.531 -0.111 1.00 0.00 H new ATOM 0 HA LYS A 130 3.577 14.721 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 130 4.401 14.450 1.109 1.00 0.00 H new ATOM 0 HB3 LYS A 130 6.026 14.729 0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 130 5.065 16.785 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 130 5.395 16.963 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 130 3.042 16.617 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 130 2.661 16.210 0.830 1.00 0.00 H new ATOM 0 HE2 LYS A 130 3.087 18.454 1.585 1.00 0.00 H new ATOM 0 HE3 LYS A 130 3.855 18.896 0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 1.704 19.797 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 1.633 18.434 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 0.975 18.367 0.557 1.00 0.00 H new ATOM 2057 N LYS A 131 6.802 14.447 -2.018 1.00 0.00 N ATOM 2058 CA LYS A 131 7.816 14.851 -2.988 1.00 0.00 C ATOM 2059 C LYS A 131 7.643 14.103 -4.308 1.00 0.00 C ATOM 2060 O LYS A 131 7.461 14.723 -5.356 1.00 0.00 O ATOM 2061 CB LYS A 131 9.223 14.616 -2.426 1.00 0.00 C ATOM 2062 CG LYS A 131 9.765 15.796 -1.635 1.00 0.00 C ATOM 2063 CD LYS A 131 10.000 17.008 -2.527 1.00 0.00 C ATOM 2064 CE LYS A 131 11.435 17.504 -2.427 1.00 0.00 C ATOM 2065 NZ LYS A 131 12.365 16.689 -3.258 1.00 0.00 N ATOM 0 H LYS A 131 7.145 13.830 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 131 7.689 15.916 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 131 9.207 13.735 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 131 9.903 14.398 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 131 9.063 16.057 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 131 10.700 15.512 -1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 131 9.775 16.749 -3.562 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.317 17.808 -2.243 1.00 0.00 H new ATOM 0 HE2 LYS A 131 11.482 18.545 -2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 131 11.758 17.474 -1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 13.249 16.529 -2.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 11.922 15.774 -3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 12.574 17.194 -4.143 1.00 0.00 H new ATOM 2079 N ALA A 132 7.704 12.768 -4.249 1.00 0.00 N ATOM 2080 CA ALA A 132 7.553 11.928 -5.440 1.00 0.00 C ATOM 2081 C ALA A 132 8.519 12.349 -6.550 1.00 0.00 C ATOM 2082 O ALA A 132 8.156 12.374 -7.728 1.00 0.00 O ATOM 2083 CB ALA A 132 6.112 11.975 -5.932 1.00 0.00 C ATOM 0 H ALA A 132 7.857 12.246 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 132 7.800 10.902 -5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.009 11.348 -6.818 1.00 0.00 H new ATOM 0 HB2 ALA A 132 5.448 11.609 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 132 5.846 13.002 -6.182 1.00 0.00 H new ATOM 2089 N GLY A 133 9.753 12.680 -6.164 1.00 0.00 N ATOM 2090 CA GLY A 133 10.752 13.095 -7.134 1.00 0.00 C ATOM 2091 C GLY A 133 11.632 11.946 -7.595 1.00 0.00 C ATOM 2092 O GLY A 133 11.967 11.853 -8.776 1.00 0.00 O ATOM 0 H GLY A 133 10.076 12.667 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 133 10.253 13.535 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 133 11.377 13.873 -6.696 1.00 0.00 H new ATOM 2096 N GLY A 134 12.005 11.069 -6.659 1.00 0.00 N ATOM 2097 CA GLY A 134 12.849 9.928 -6.986 1.00 0.00 C ATOM 2098 C GLY A 134 14.260 10.318 -7.406 1.00 0.00 C ATOM 2099 O GLY A 134 14.952 9.537 -8.059 1.00 0.00 O ATOM 0 H GLY A 134 11.736 11.130 -5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.905 9.268 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.383 9.360 -7.791 1.00 0.00 H new ATOM 2103 N ALA A 135 14.686 11.525 -7.027 1.00 0.00 N ATOM 2104 CA ALA A 135 16.025 12.017 -7.365 1.00 0.00 C ATOM 2105 C ALA A 135 16.333 13.354 -6.678 1.00 0.00 C ATOM 2106 O ALA A 135 17.177 14.119 -7.147 1.00 0.00 O ATOM 2107 CB ALA A 135 16.172 12.151 -8.877 1.00 0.00 C ATOM 0 H ALA A 135 14.123 12.181 -6.485 1.00 0.00 H new ATOM 0 HA ALA A 135 16.746 11.287 -6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 135 17.171 12.517 -9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 135 16.022 11.178 -9.345 1.00 0.00 H new ATOM 0 HB3 ALA A 135 15.429 12.854 -9.254 1.00 0.00 H new ATOM 2113 N ASN A 136 15.650 13.623 -5.561 1.00 0.00 N ATOM 2114 CA ASN A 136 15.850 14.857 -4.804 1.00 0.00 C ATOM 2115 C ASN A 136 15.605 14.629 -3.311 1.00 0.00 C ATOM 2116 O ASN A 136 15.331 15.574 -2.569 1.00 0.00 O ATOM 2117 CB ASN A 136 14.912 15.958 -5.320 1.00 0.00 C ATOM 2118 CG ASN A 136 15.073 16.224 -6.806 1.00 0.00 C ATOM 2119 OD1 ASN A 136 15.991 16.926 -7.225 1.00 0.00 O ATOM 2120 ND2 ASN A 136 14.172 15.670 -7.612 1.00 0.00 N ATOM 0 H ASN A 136 14.951 12.997 -5.161 1.00 0.00 H new ATOM 0 HA ASN A 136 16.884 15.172 -4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 136 13.880 15.673 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN A 136 15.103 16.879 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 136 14.227 15.821 -8.619 1.00 0.00 H new ATOM 0 HD22 ASN A 136 13.426 15.094 -7.223 1.00 0.00 H new ATOM 2127 N TYR A 137 15.703 13.370 -2.876 1.00 0.00 N ATOM 2128 CA TYR A 137 15.494 13.021 -1.478 1.00 0.00 C ATOM 2129 C TYR A 137 16.806 13.100 -0.700 1.00 0.00 C ATOM 2130 O TYR A 137 16.867 13.717 0.363 1.00 0.00 O ATOM 2131 CB TYR A 137 14.892 11.615 -1.376 1.00 0.00 C ATOM 2132 CG TYR A 137 14.894 11.042 0.023 1.00 0.00 C ATOM 2133 CD1 TYR A 137 13.855 11.307 0.903 1.00 0.00 C ATOM 2134 CD2 TYR A 137 15.935 10.234 0.460 1.00 0.00 C ATOM 2135 CE1 TYR A 137 13.850 10.782 2.181 1.00 0.00 C ATOM 2136 CE2 TYR A 137 15.938 9.702 1.736 1.00 0.00 C ATOM 2137 CZ TYR A 137 14.892 9.980 2.593 1.00 0.00 C ATOM 2138 OH TYR A 137 14.887 9.452 3.863 1.00 0.00 O ATOM 0 H TYR A 137 15.927 12.577 -3.478 1.00 0.00 H new ATOM 0 HA TYR A 137 14.798 13.736 -1.039 1.00 0.00 H new ATOM 0 HB2 TYR A 137 13.866 11.643 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 137 15.448 10.945 -2.032 1.00 0.00 H new ATOM 0 HD1 TYR A 137 13.036 11.934 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 137 16.756 10.018 -0.208 1.00 0.00 H new ATOM 0 HE1 TYR A 137 13.033 10.999 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 137 16.754 9.073 2.060 1.00 0.00 H new ATOM 0 HH TYR A 137 15.692 8.909 3.995 1.00 0.00 H new ATOM 2148 N ASP A 138 17.851 12.474 -1.242 1.00 0.00 N ATOM 2149 CA ASP A 138 19.163 12.472 -0.604 1.00 0.00 C ATOM 2150 C ASP A 138 20.259 12.836 -1.602 1.00 0.00 C ATOM 2151 O ASP A 138 20.071 12.721 -2.815 1.00 0.00 O ATOM 2152 CB ASP A 138 19.450 11.100 0.011 1.00 0.00 C ATOM 2153 CG ASP A 138 20.418 11.179 1.177 1.00 0.00 C ATOM 2154 OD1 ASP A 138 19.958 11.406 2.317 1.00 0.00 O ATOM 2155 OD2 ASP A 138 21.636 11.016 0.949 1.00 0.00 O ATOM 0 H ASP A 138 17.812 11.962 -2.123 1.00 0.00 H new ATOM 0 HA ASP A 138 19.156 13.224 0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 138 18.515 10.654 0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 138 19.860 10.441 -0.754 1.00 0.00 H new ATOM 2160 N ALA A 139 21.401 13.274 -1.080 1.00 0.00 N ATOM 2161 CA ALA A 139 22.535 13.657 -1.918 1.00 0.00 C ATOM 2162 C ALA A 139 23.736 12.733 -1.696 1.00 0.00 C ATOM 2163 O ALA A 139 24.469 12.426 -2.638 1.00 0.00 O ATOM 2164 CB ALA A 139 22.915 15.107 -1.659 1.00 0.00 C ATOM 0 H ALA A 139 21.567 13.373 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 139 22.233 13.554 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 139 23.761 15.380 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 139 22.067 15.752 -1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 139 23.189 15.230 -0.611 1.00 0.00 H new ATOM 2170 N GLN A 140 23.928 12.286 -0.452 1.00 0.00 N ATOM 2171 CA GLN A 140 25.036 11.392 -0.115 1.00 0.00 C ATOM 2172 C GLN A 140 24.606 9.924 -0.144 1.00 0.00 C ATOM 2173 O GLN A 140 25.285 9.064 0.420 1.00 0.00 O ATOM 2174 CB GLN A 140 25.581 11.734 1.267 1.00 0.00 C ATOM 2175 CG GLN A 140 27.067 12.061 1.278 1.00 0.00 C ATOM 2176 CD GLN A 140 27.390 13.279 2.125 1.00 0.00 C ATOM 2177 OE1 GLN A 140 27.941 14.262 1.630 1.00 0.00 O ATOM 2178 NE2 GLN A 140 27.049 13.222 3.409 1.00 0.00 N ATOM 0 H GLN A 140 23.330 12.529 0.338 1.00 0.00 H new ATOM 0 HA GLN A 140 25.814 11.534 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 140 25.028 12.585 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 140 25.398 10.894 1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 140 27.622 11.202 1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 140 27.405 12.233 0.256 1.00 0.00 H new ATOM 0 HE21 GLN A 140 26.594 12.388 3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 140 27.243 14.013 4.024 1.00 0.00 H new ATOM 2187 N THR A 141 23.483 9.653 -0.804 1.00 0.00 N ATOM 2188 CA THR A 141 22.941 8.297 -0.925 1.00 0.00 C ATOM 2189 C THR A 141 22.992 7.539 0.415 1.00 0.00 C ATOM 2190 O THR A 141 23.429 6.387 0.475 1.00 0.00 O ATOM 2191 CB THR A 141 23.695 7.537 -2.033 1.00 0.00 C ATOM 2192 OG1 THR A 141 23.096 6.276 -2.290 1.00 0.00 O ATOM 2193 CG2 THR A 141 25.157 7.298 -1.718 1.00 0.00 C ATOM 0 H THR A 141 22.921 10.365 -1.271 1.00 0.00 H new ATOM 0 HA THR A 141 21.889 8.368 -1.200 1.00 0.00 H new ATOM 0 HB THR A 141 23.632 8.185 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 141 23.083 5.746 -1.466 1.00 0.00 H new ATOM 0 HG21 THR A 141 25.623 6.758 -2.542 1.00 0.00 H new ATOM 0 HG22 THR A 141 25.661 8.255 -1.580 1.00 0.00 H new ATOM 0 HG23 THR A 141 25.241 6.709 -0.805 1.00 0.00 H new ATOM 2201 N GLU A 142 22.542 8.200 1.486 1.00 0.00 N ATOM 2202 CA GLU A 142 22.536 7.597 2.826 1.00 0.00 C ATOM 2203 C GLU A 142 21.544 6.434 2.924 1.00 0.00 C ATOM 2204 O GLU A 142 21.825 5.489 3.695 1.00 0.00 O ATOM 2205 CB GLU A 142 22.208 8.649 3.896 1.00 0.00 C ATOM 2206 CG GLU A 142 23.295 8.795 4.956 1.00 0.00 C ATOM 2207 CD GLU A 142 22.784 9.391 6.258 1.00 0.00 C ATOM 2208 OE1 GLU A 142 21.780 8.876 6.797 1.00 0.00 O ATOM 2209 OE2 GLU A 142 23.394 10.371 6.743 1.00 0.00 O ATOM 0 H GLU A 142 22.177 9.152 1.453 1.00 0.00 H new ATOM 0 HA GLU A 142 23.537 7.204 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 142 22.052 9.613 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 142 21.270 8.381 4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 142 23.731 7.816 5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 142 24.094 9.425 4.564 1.00 0.00 H new TER 2216 GLU A 142