USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 786 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 78 THR OG1 : rot 180:sc= 0.276 USER MOD Set 1.2: A 80 SER OG : rot -109:sc= -2.88 USER MOD Set 2.1: A 27 GLN :FLIP amide:sc= -1.07 F(o=-2.7!,f=-1.1) USER MOD Set 2.2: A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -74:sc= -0.193 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 120:sc= 0.327 USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 18 CYS SG : rot 180:sc= -1.17 USER MOD Single : A 19 GLN :FLIP amide:sc= -4! C(o=-6.2!,f=-4!) USER MOD Single : A 23 THR OG1 : rot 128:sc= -1.23 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= -0.0401 (180deg=-0.314) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.628 F(o=-3.7,f=-0.63) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -68:sc= 0.417 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -165:sc= -0.0517 (180deg=-0.317) USER MOD Single : A 38 MET CE :methyl 167:sc= -2.17! (180deg=-2.86!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -19.1! C(o=-19!,f=-26!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 1.22 K(o=1.2,f=-2.3!) USER MOD Single : A 54 GLN : amide:sc= -15.8! C(o=-16!,f=-17!) USER MOD Single : A 55 SER OG : rot -16:sc= 0.66 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 72 SER OG : rot 89:sc= 0.856 USER MOD Single : A 82 THR OG1 : rot -58:sc= 0.00119 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 90:sc= -1.04 USER MOD Single : A 86 MET CE :methyl 178:sc= -2.88 (180deg=-2.89) USER MOD Single : A 91 ASN :FLIP amide:sc= -3.58! C(o=-5!,f=-3.6!) USER MOD Single : A 96 LYS NZ :NH3+ -153:sc= -0.599 (180deg=-1.52) USER MOD Single : A 103 GLN :FLIP amide:sc= -5.45! C(o=-6.3!,f=-5.5!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.279 -3.772 -9.804 1.00 0.00 N ATOM 2 CA SER A 1 3.494 -2.924 -9.701 1.00 0.00 C ATOM 3 C SER A 1 4.125 -3.040 -8.317 1.00 0.00 C ATOM 4 O SER A 1 3.904 -2.193 -7.450 1.00 0.00 O ATOM 5 CB SER A 1 3.140 -1.466 -9.994 1.00 0.00 C ATOM 6 OG SER A 1 4.284 -0.635 -9.893 1.00 0.00 O ATOM 0 H1 SER A 1 1.868 -3.676 -10.755 1.00 0.00 H new ATOM 0 H2 SER A 1 2.534 -4.766 -9.636 1.00 0.00 H new ATOM 0 H3 SER A 1 1.583 -3.469 -9.094 1.00 0.00 H new ATOM 0 HA SER A 1 4.218 -3.273 -10.437 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.715 -1.385 -10.994 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.376 -1.126 -9.295 1.00 0.00 H new ATOM 0 HG SER A 1 4.519 -0.515 -8.949 1.00 0.00 H new ATOM 14 N ILE A 2 4.949 -4.072 -8.142 1.00 0.00 N ATOM 15 CA ILE A 2 5.618 -4.335 -6.868 1.00 0.00 C ATOM 16 C ILE A 2 6.758 -5.331 -7.050 1.00 0.00 C ATOM 17 O ILE A 2 7.880 -5.107 -6.595 1.00 0.00 O ATOM 18 CB ILE A 2 4.655 -4.900 -5.799 1.00 0.00 C ATOM 19 CG1 ILE A 2 3.568 -3.904 -5.457 1.00 0.00 C ATOM 20 CG2 ILE A 2 5.426 -5.307 -4.550 1.00 0.00 C ATOM 21 CD1 ILE A 2 2.692 -4.344 -4.319 1.00 0.00 C ATOM 0 H ILE A 2 5.171 -4.746 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 2 5.999 -3.373 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 2 4.174 -5.786 -6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.028 -2.949 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 2 2.949 -3.736 -6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 2 4.733 -5.703 -3.807 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.158 -6.073 -4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.940 -4.437 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.935 -3.583 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.205 -5.284 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.300 -4.484 -3.425 1.00 0.00 H new ATOM 33 N THR A 3 6.451 -6.428 -7.723 1.00 0.00 N ATOM 34 CA THR A 3 7.425 -7.481 -7.958 1.00 0.00 C ATOM 35 C THR A 3 8.604 -6.990 -8.791 1.00 0.00 C ATOM 36 O THR A 3 9.606 -7.693 -8.919 1.00 0.00 O ATOM 37 CB THR A 3 6.783 -8.694 -8.656 1.00 0.00 C ATOM 38 OG1 THR A 3 6.258 -8.307 -9.931 1.00 0.00 O ATOM 39 CG2 THR A 3 5.669 -9.276 -7.800 1.00 0.00 C ATOM 0 H THR A 3 5.529 -6.613 -8.118 1.00 0.00 H new ATOM 0 HA THR A 3 7.792 -7.784 -6.977 1.00 0.00 H new ATOM 0 HB THR A 3 7.551 -9.454 -8.798 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.853 -9.085 -10.368 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.228 -10.132 -8.310 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.076 -9.596 -6.841 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.903 -8.518 -7.635 1.00 0.00 H new ATOM 47 N ASP A 4 8.494 -5.786 -9.364 1.00 0.00 N ATOM 48 CA ASP A 4 9.594 -5.221 -10.143 1.00 0.00 C ATOM 49 C ASP A 4 10.886 -5.339 -9.345 1.00 0.00 C ATOM 50 O ASP A 4 11.878 -5.896 -9.816 1.00 0.00 O ATOM 51 CB ASP A 4 9.314 -3.754 -10.479 1.00 0.00 C ATOM 52 CG ASP A 4 8.033 -3.577 -11.272 1.00 0.00 C ATOM 53 OD1 ASP A 4 8.091 -3.654 -12.518 1.00 0.00 O ATOM 54 OD2 ASP A 4 6.974 -3.361 -10.648 1.00 0.00 O ATOM 0 H ASP A 4 7.666 -5.194 -9.303 1.00 0.00 H new ATOM 0 HA ASP A 4 9.691 -5.773 -11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.249 -3.179 -9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.150 -3.349 -11.049 1.00 0.00 H new ATOM 59 N ILE A 5 10.859 -4.803 -8.127 1.00 0.00 N ATOM 60 CA ILE A 5 12.001 -4.886 -7.229 1.00 0.00 C ATOM 61 C ILE A 5 11.512 -5.243 -5.826 1.00 0.00 C ATOM 62 O ILE A 5 11.077 -4.380 -5.063 1.00 0.00 O ATOM 63 CB ILE A 5 12.772 -3.552 -7.170 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.979 -2.975 -8.575 1.00 0.00 C ATOM 65 CG2 ILE A 5 14.110 -3.746 -6.473 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.941 -1.463 -8.619 1.00 0.00 C ATOM 0 H ILE A 5 10.056 -4.306 -7.742 1.00 0.00 H new ATOM 0 HA ILE A 5 12.676 -5.654 -7.607 1.00 0.00 H new ATOM 0 HB ILE A 5 12.178 -2.840 -6.597 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.939 -3.318 -8.962 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.209 -3.369 -9.238 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.643 -2.796 -6.439 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.943 -4.105 -5.458 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.704 -4.476 -7.023 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.094 -1.125 -9.644 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.972 -1.113 -8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 5 13.729 -1.061 -7.982 1.00 0.00 H new ATOM 78 N LEU A 6 11.593 -6.526 -5.509 1.00 0.00 N ATOM 79 CA LEU A 6 11.154 -7.020 -4.207 1.00 0.00 C ATOM 80 C LEU A 6 11.507 -8.480 -3.997 1.00 0.00 C ATOM 81 O LEU A 6 11.888 -9.181 -4.934 1.00 0.00 O ATOM 82 CB LEU A 6 9.647 -6.836 -4.042 1.00 0.00 C ATOM 83 CG LEU A 6 9.219 -6.234 -2.705 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.419 -4.732 -2.711 1.00 0.00 C ATOM 85 CD2 LEU A 6 7.774 -6.582 -2.390 1.00 0.00 C ATOM 0 H LEU A 6 11.958 -7.246 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 6 11.682 -6.433 -3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.283 -6.196 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.161 -7.805 -4.161 1.00 0.00 H new ATOM 0 HG LEU A 6 9.846 -6.662 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.109 -4.320 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.472 -4.506 -2.880 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.820 -4.288 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.494 -6.142 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.126 -6.189 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.664 -7.665 -2.337 1.00 0.00 H new ATOM 97 N SER A 7 11.378 -8.934 -2.754 1.00 0.00 N ATOM 98 CA SER A 7 11.636 -10.329 -2.428 1.00 0.00 C ATOM 99 C SER A 7 10.406 -11.168 -2.746 1.00 0.00 C ATOM 100 O SER A 7 9.772 -11.735 -1.858 1.00 0.00 O ATOM 101 CB SER A 7 11.997 -10.503 -0.965 1.00 0.00 C ATOM 102 OG SER A 7 13.117 -9.712 -0.608 1.00 0.00 O ATOM 0 H SER A 7 11.098 -8.358 -1.960 1.00 0.00 H new ATOM 0 HA SER A 7 12.482 -10.660 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 7 11.144 -10.229 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.213 -11.552 -0.765 1.00 0.00 H new ATOM 0 HG SER A 7 12.860 -9.078 0.094 1.00 0.00 H new ATOM 108 N ALA A 8 10.086 -11.230 -4.027 1.00 0.00 N ATOM 109 CA ALA A 8 8.924 -11.990 -4.496 1.00 0.00 C ATOM 110 C ALA A 8 8.749 -13.321 -3.770 1.00 0.00 C ATOM 111 O ALA A 8 7.636 -13.840 -3.695 1.00 0.00 O ATOM 112 CB ALA A 8 9.046 -12.239 -5.987 1.00 0.00 C ATOM 0 H ALA A 8 10.611 -10.765 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 8 8.042 -11.388 -4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.181 -12.804 -6.333 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.091 -11.285 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.955 -12.807 -6.188 1.00 0.00 H new ATOM 118 N GLU A 9 9.823 -13.879 -3.235 1.00 0.00 N ATOM 119 CA GLU A 9 9.709 -15.116 -2.483 1.00 0.00 C ATOM 120 C GLU A 9 8.943 -14.856 -1.188 1.00 0.00 C ATOM 121 O GLU A 9 8.002 -15.573 -0.845 1.00 0.00 O ATOM 122 CB GLU A 9 11.096 -15.675 -2.183 1.00 0.00 C ATOM 123 CG GLU A 9 11.870 -16.026 -3.434 1.00 0.00 C ATOM 124 CD GLU A 9 11.247 -17.172 -4.208 1.00 0.00 C ATOM 125 OE1 GLU A 9 10.303 -16.919 -4.985 1.00 0.00 O ATOM 126 OE2 GLU A 9 11.702 -18.322 -4.037 1.00 0.00 O ATOM 0 H GLU A 9 10.768 -13.502 -3.306 1.00 0.00 H new ATOM 0 HA GLU A 9 9.164 -15.852 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.661 -14.943 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.997 -16.565 -1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.929 -15.148 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.892 -16.291 -3.161 1.00 0.00 H new ATOM 133 N ASP A 10 9.367 -13.812 -0.482 1.00 0.00 N ATOM 134 CA ASP A 10 8.772 -13.386 0.770 1.00 0.00 C ATOM 135 C ASP A 10 7.494 -12.603 0.542 1.00 0.00 C ATOM 136 O ASP A 10 6.836 -12.223 1.497 1.00 0.00 O ATOM 137 CB ASP A 10 9.766 -12.516 1.544 1.00 0.00 C ATOM 138 CG ASP A 10 10.797 -13.339 2.292 1.00 0.00 C ATOM 139 OD1 ASP A 10 10.518 -13.737 3.443 1.00 0.00 O ATOM 140 OD2 ASP A 10 11.883 -13.585 1.727 1.00 0.00 O ATOM 0 H ASP A 10 10.151 -13.229 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 10 8.527 -14.280 1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 10 10.274 -11.846 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.222 -11.890 2.252 1.00 0.00 H new ATOM 145 N ILE A 11 7.150 -12.336 -0.710 1.00 0.00 N ATOM 146 CA ILE A 11 5.959 -11.545 -0.988 1.00 0.00 C ATOM 147 C ILE A 11 4.716 -12.331 -0.601 1.00 0.00 C ATOM 148 O ILE A 11 3.793 -11.785 0.002 1.00 0.00 O ATOM 149 CB ILE A 11 5.922 -11.071 -2.466 1.00 0.00 C ATOM 150 CG1 ILE A 11 6.607 -9.703 -2.581 1.00 0.00 C ATOM 151 CG2 ILE A 11 4.503 -10.995 -3.036 1.00 0.00 C ATOM 152 CD1 ILE A 11 6.633 -9.152 -3.990 1.00 0.00 C ATOM 0 H ILE A 11 7.665 -12.647 -1.533 1.00 0.00 H new ATOM 0 HA ILE A 11 5.987 -10.640 -0.381 1.00 0.00 H new ATOM 0 HB ILE A 11 6.456 -11.815 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.093 -8.994 -1.932 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.630 -9.787 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.544 -10.658 -4.072 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.041 -11.981 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.912 -10.292 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.133 -8.183 -3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.173 -9.840 -4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.612 -9.035 -4.354 1.00 0.00 H new ATOM 164 N ALA A 12 4.685 -13.608 -0.955 1.00 0.00 N ATOM 165 CA ALA A 12 3.560 -14.441 -0.591 1.00 0.00 C ATOM 166 C ALA A 12 3.413 -14.433 0.912 1.00 0.00 C ATOM 167 O ALA A 12 2.332 -14.190 1.438 1.00 0.00 O ATOM 168 CB ALA A 12 3.752 -15.857 -1.086 1.00 0.00 C ATOM 0 H ALA A 12 5.417 -14.080 -1.486 1.00 0.00 H new ATOM 0 HA ALA A 12 2.658 -14.044 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.892 -16.462 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.847 -15.853 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.655 -16.277 -0.644 1.00 0.00 H new ATOM 174 N ALA A 13 4.514 -14.696 1.609 1.00 0.00 N ATOM 175 CA ALA A 13 4.475 -14.683 3.065 1.00 0.00 C ATOM 176 C ALA A 13 4.143 -13.283 3.543 1.00 0.00 C ATOM 177 O ALA A 13 3.207 -13.063 4.299 1.00 0.00 O ATOM 178 CB ALA A 13 5.804 -15.143 3.641 1.00 0.00 C ATOM 0 H ALA A 13 5.423 -14.916 1.201 1.00 0.00 H new ATOM 0 HA ALA A 13 3.705 -15.373 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.754 -15.126 4.730 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.015 -16.158 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.597 -14.476 3.304 1.00 0.00 H new ATOM 184 N ALA A 14 4.928 -12.343 3.056 1.00 0.00 N ATOM 185 CA ALA A 14 4.750 -10.937 3.384 1.00 0.00 C ATOM 186 C ALA A 14 3.289 -10.532 3.234 1.00 0.00 C ATOM 187 O ALA A 14 2.723 -9.884 4.113 1.00 0.00 O ATOM 188 CB ALA A 14 5.616 -10.078 2.476 1.00 0.00 C ATOM 0 H ALA A 14 5.706 -12.528 2.423 1.00 0.00 H new ATOM 0 HA ALA A 14 5.051 -10.784 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.477 -9.027 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.663 -10.348 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.329 -10.243 1.437 1.00 0.00 H new ATOM 194 N LEU A 15 2.689 -10.913 2.117 1.00 0.00 N ATOM 195 CA LEU A 15 1.295 -10.593 1.861 1.00 0.00 C ATOM 196 C LEU A 15 0.380 -11.482 2.685 1.00 0.00 C ATOM 197 O LEU A 15 -0.388 -11.007 3.520 1.00 0.00 O ATOM 198 CB LEU A 15 0.965 -10.760 0.375 1.00 0.00 C ATOM 199 CG LEU A 15 -0.354 -10.121 -0.085 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.527 -10.283 -1.585 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.543 -10.722 0.644 1.00 0.00 C ATOM 0 H LEU A 15 3.145 -11.443 1.375 1.00 0.00 H new ATOM 0 HA LEU A 15 1.134 -9.554 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.779 -10.333 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.932 -11.825 0.145 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.310 -9.059 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.466 -9.825 -1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.301 -9.797 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.540 -11.343 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.461 -10.248 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.589 -11.793 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.434 -10.557 1.716 1.00 0.00 H new ATOM 213 N GLN A 16 0.481 -12.783 2.439 1.00 0.00 N ATOM 214 CA GLN A 16 -0.343 -13.801 3.075 1.00 0.00 C ATOM 215 C GLN A 16 -0.090 -13.968 4.577 1.00 0.00 C ATOM 216 O GLN A 16 -0.779 -14.756 5.227 1.00 0.00 O ATOM 217 CB GLN A 16 -0.026 -15.136 2.385 1.00 0.00 C ATOM 218 CG GLN A 16 -0.120 -15.083 0.872 1.00 0.00 C ATOM 219 CD GLN A 16 -1.515 -15.347 0.364 1.00 0.00 C ATOM 220 OE1 GLN A 16 -2.270 -14.281 0.173 1.00 0.00 O flip ATOM 221 NE2 GLN A 16 -1.905 -16.493 0.138 1.00 0.00 N flip ATOM 0 H GLN A 16 1.154 -13.167 1.776 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.383 -13.491 2.971 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.979 -15.449 2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.712 -15.897 2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.208 -14.103 0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.563 -15.817 0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -1.283 -17.285 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.850 -16.650 -0.213 1.00 0.00 H new ATOM 230 N GLU A 17 0.874 -13.250 5.141 1.00 0.00 N ATOM 231 CA GLU A 17 1.209 -13.456 6.547 1.00 0.00 C ATOM 232 C GLU A 17 0.077 -13.082 7.495 1.00 0.00 C ATOM 233 O GLU A 17 -0.581 -13.958 8.058 1.00 0.00 O ATOM 234 CB GLU A 17 2.471 -12.655 6.902 1.00 0.00 C ATOM 235 CG GLU A 17 2.764 -12.570 8.392 1.00 0.00 C ATOM 236 CD GLU A 17 4.000 -11.745 8.696 1.00 0.00 C ATOM 237 OE1 GLU A 17 3.895 -10.501 8.712 1.00 0.00 O ATOM 238 OE2 GLU A 17 5.072 -12.344 8.922 1.00 0.00 O ATOM 0 H GLU A 17 1.426 -12.538 4.663 1.00 0.00 H new ATOM 0 HA GLU A 17 1.387 -14.524 6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.327 -13.108 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.368 -11.645 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.906 -12.134 8.903 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.896 -13.576 8.791 1.00 0.00 H new ATOM 245 N CYS A 18 -0.153 -11.793 7.675 1.00 0.00 N ATOM 246 CA CYS A 18 -1.188 -11.299 8.574 1.00 0.00 C ATOM 247 C CYS A 18 -2.381 -10.730 7.825 1.00 0.00 C ATOM 248 O CYS A 18 -3.303 -10.209 8.446 1.00 0.00 O ATOM 249 CB CYS A 18 -0.609 -10.228 9.489 1.00 0.00 C ATOM 250 SG CYS A 18 -1.592 -9.906 10.970 1.00 0.00 S ATOM 0 H CYS A 18 0.372 -11.057 7.203 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.539 -12.149 9.160 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.394 -10.528 9.791 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.508 -9.301 8.925 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.015 -8.983 11.681 1.00 0.00 H new ATOM 256 N GLN A 19 -2.377 -10.839 6.500 1.00 0.00 N ATOM 257 CA GLN A 19 -3.416 -10.208 5.693 1.00 0.00 C ATOM 258 C GLN A 19 -4.814 -10.421 6.269 1.00 0.00 C ATOM 259 O GLN A 19 -5.135 -11.467 6.832 1.00 0.00 O ATOM 260 CB GLN A 19 -3.379 -10.738 4.260 1.00 0.00 C ATOM 261 CG GLN A 19 -4.566 -10.277 3.422 1.00 0.00 C ATOM 262 CD GLN A 19 -4.438 -10.602 1.952 1.00 0.00 C ATOM 263 OE1 GLN A 19 -4.041 -9.614 1.166 1.00 0.00 O flip ATOM 264 NE2 GLN A 19 -4.721 -11.721 1.524 1.00 0.00 N flip ATOM 0 H GLN A 19 -1.675 -11.352 5.967 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.207 -9.138 5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.455 -10.412 3.782 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.359 -11.828 4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.474 -10.740 3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.684 -9.200 3.537 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.023 -12.452 2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.654 -11.917 0.525 1.00 0.00 H new ATOM 273 N ASP A 20 -5.629 -9.381 6.104 1.00 0.00 N ATOM 274 CA ASP A 20 -7.005 -9.371 6.586 1.00 0.00 C ATOM 275 C ASP A 20 -7.567 -7.954 6.542 1.00 0.00 C ATOM 276 O ASP A 20 -6.817 -6.988 6.405 1.00 0.00 O ATOM 277 CB ASP A 20 -7.078 -9.928 8.009 1.00 0.00 C ATOM 278 CG ASP A 20 -7.923 -11.184 8.104 1.00 0.00 C ATOM 279 OD1 ASP A 20 -7.586 -12.179 7.429 1.00 0.00 O ATOM 280 OD2 ASP A 20 -8.922 -11.176 8.855 1.00 0.00 O ATOM 0 H ASP A 20 -5.351 -8.521 5.631 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.606 -10.007 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.070 -10.146 8.362 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.490 -9.167 8.672 1.00 0.00 H new ATOM 285 N PRO A 21 -8.894 -7.810 6.658 1.00 0.00 N ATOM 286 CA PRO A 21 -9.548 -6.508 6.649 1.00 0.00 C ATOM 287 C PRO A 21 -9.438 -5.822 8.001 1.00 0.00 C ATOM 288 O PRO A 21 -10.447 -5.605 8.667 1.00 0.00 O ATOM 289 CB PRO A 21 -10.995 -6.872 6.349 1.00 0.00 C ATOM 290 CG PRO A 21 -11.176 -8.195 6.985 1.00 0.00 C ATOM 291 CD PRO A 21 -9.869 -8.905 6.805 1.00 0.00 C ATOM 0 HA PRO A 21 -9.109 -5.811 5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.685 -6.135 6.760 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.180 -6.917 5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.425 -8.092 8.041 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.991 -8.748 6.517 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.635 -9.537 7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.882 -9.551 5.927 1.00 0.00 H new ATOM 299 N ASP A 22 -8.196 -5.490 8.390 1.00 0.00 N ATOM 300 CA ASP A 22 -7.896 -4.833 9.678 1.00 0.00 C ATOM 301 C ASP A 22 -6.479 -5.160 10.176 1.00 0.00 C ATOM 302 O ASP A 22 -6.023 -4.585 11.163 1.00 0.00 O ATOM 303 CB ASP A 22 -8.893 -5.239 10.771 1.00 0.00 C ATOM 304 CG ASP A 22 -9.049 -6.743 10.886 1.00 0.00 C ATOM 305 OD1 ASP A 22 -8.165 -7.388 11.490 1.00 0.00 O ATOM 306 OD2 ASP A 22 -10.057 -7.278 10.374 1.00 0.00 O ATOM 0 H ASP A 22 -7.369 -5.669 7.821 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.976 -3.763 9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.561 -4.837 11.728 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.864 -4.792 10.557 1.00 0.00 H new ATOM 311 N THR A 23 -5.786 -6.078 9.501 1.00 0.00 N ATOM 312 CA THR A 23 -4.443 -6.476 9.909 1.00 0.00 C ATOM 313 C THR A 23 -3.346 -5.687 9.206 1.00 0.00 C ATOM 314 O THR A 23 -2.298 -5.459 9.802 1.00 0.00 O ATOM 315 CB THR A 23 -4.214 -7.956 9.598 1.00 0.00 C ATOM 316 OG1 THR A 23 -4.623 -8.229 8.251 1.00 0.00 O ATOM 317 CG2 THR A 23 -4.986 -8.842 10.558 1.00 0.00 C ATOM 0 H THR A 23 -6.134 -6.558 8.671 1.00 0.00 H new ATOM 0 HA THR A 23 -4.386 -6.276 10.979 1.00 0.00 H new ATOM 0 HB THR A 23 -3.152 -8.174 9.714 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.896 -8.681 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.804 -9.889 10.313 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.657 -8.646 11.579 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.052 -8.629 10.473 1.00 0.00 H new ATOM 325 N PHE A 24 -3.619 -5.297 7.949 1.00 0.00 N ATOM 326 CA PHE A 24 -2.693 -4.543 7.071 1.00 0.00 C ATOM 327 C PHE A 24 -2.346 -5.382 5.850 1.00 0.00 C ATOM 328 O PHE A 24 -1.355 -6.111 5.849 1.00 0.00 O ATOM 329 CB PHE A 24 -1.377 -4.123 7.738 1.00 0.00 C ATOM 330 CG PHE A 24 -1.410 -2.840 8.537 1.00 0.00 C ATOM 331 CD1 PHE A 24 -2.262 -2.662 9.620 1.00 0.00 C ATOM 332 CD2 PHE A 24 -0.534 -1.817 8.213 1.00 0.00 C ATOM 333 CE1 PHE A 24 -2.240 -1.489 10.351 1.00 0.00 C ATOM 334 CE2 PHE A 24 -0.500 -0.648 8.948 1.00 0.00 C ATOM 335 CZ PHE A 24 -1.356 -0.483 10.018 1.00 0.00 C ATOM 0 H PHE A 24 -4.512 -5.500 7.499 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.228 -3.630 6.810 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -1.056 -4.929 8.398 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.617 -4.024 6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.949 -3.449 9.894 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.133 -1.935 7.372 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.915 -1.360 11.184 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.195 0.136 8.686 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.334 0.431 10.593 1.00 0.00 H new ATOM 345 N GLU A 25 -3.159 -5.276 4.815 1.00 0.00 N ATOM 346 CA GLU A 25 -2.934 -6.043 3.591 1.00 0.00 C ATOM 347 C GLU A 25 -1.810 -5.485 2.704 1.00 0.00 C ATOM 348 O GLU A 25 -1.116 -6.257 2.043 1.00 0.00 O ATOM 349 CB GLU A 25 -4.223 -6.109 2.778 1.00 0.00 C ATOM 350 CG GLU A 25 -5.438 -6.478 3.601 1.00 0.00 C ATOM 351 CD GLU A 25 -6.694 -6.614 2.764 1.00 0.00 C ATOM 352 OE1 GLU A 25 -7.083 -5.623 2.109 1.00 0.00 O ATOM 353 OE2 GLU A 25 -7.288 -7.712 2.759 1.00 0.00 O ATOM 0 H GLU A 25 -3.979 -4.670 4.791 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.619 -7.036 3.912 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.395 -5.142 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.101 -6.839 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.248 -7.418 4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.597 -5.718 4.366 1.00 0.00 H new ATOM 360 N PRO A 26 -1.602 -4.155 2.663 1.00 0.00 N ATOM 361 CA PRO A 26 -0.581 -3.558 1.811 1.00 0.00 C ATOM 362 C PRO A 26 0.825 -3.519 2.414 1.00 0.00 C ATOM 363 O PRO A 26 1.754 -4.131 1.887 1.00 0.00 O ATOM 364 CB PRO A 26 -1.090 -2.137 1.589 1.00 0.00 C ATOM 365 CG PRO A 26 -2.052 -1.852 2.693 1.00 0.00 C ATOM 366 CD PRO A 26 -2.333 -3.138 3.422 1.00 0.00 C ATOM 0 HA PRO A 26 -0.456 -4.153 0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.266 -1.424 1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.577 -2.047 0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.636 -1.112 3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.975 -1.433 2.293 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.991 -3.092 4.456 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -3.401 -3.354 3.449 1.00 0.00 H new ATOM 374 N GLN A 27 0.972 -2.796 3.518 1.00 0.00 N ATOM 375 CA GLN A 27 2.273 -2.623 4.167 1.00 0.00 C ATOM 376 C GLN A 27 2.958 -3.940 4.523 1.00 0.00 C ATOM 377 O GLN A 27 4.185 -4.031 4.477 1.00 0.00 O ATOM 378 CB GLN A 27 2.121 -1.775 5.425 1.00 0.00 C ATOM 379 CG GLN A 27 1.447 -0.439 5.176 1.00 0.00 C ATOM 380 CD GLN A 27 2.330 0.521 4.405 1.00 0.00 C ATOM 381 OE1 GLN A 27 3.086 1.337 5.130 1.00 0.00 O flip ATOM 382 NE2 GLN A 27 2.330 0.533 3.174 1.00 0.00 N flip ATOM 0 H GLN A 27 0.204 -2.316 3.987 1.00 0.00 H new ATOM 0 HA GLN A 27 2.911 -2.121 3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.543 -2.333 6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.106 -1.601 5.858 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.521 -0.600 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.174 0.010 6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.732 -0.113 2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.928 1.188 2.670 1.00 0.00 H new ATOM 391 N LYS A 28 2.185 -4.957 4.874 1.00 0.00 N ATOM 392 CA LYS A 28 2.762 -6.233 5.238 1.00 0.00 C ATOM 393 C LYS A 28 3.453 -6.842 4.034 1.00 0.00 C ATOM 394 O LYS A 28 4.561 -7.368 4.130 1.00 0.00 O ATOM 395 CB LYS A 28 1.680 -7.160 5.752 1.00 0.00 C ATOM 396 CG LYS A 28 1.658 -7.302 7.264 1.00 0.00 C ATOM 397 CD LYS A 28 1.122 -6.049 7.932 1.00 0.00 C ATOM 398 CE LYS A 28 2.244 -5.148 8.419 1.00 0.00 C ATOM 399 NZ LYS A 28 3.003 -5.763 9.543 1.00 0.00 N ATOM 0 H LYS A 28 1.166 -4.920 4.913 1.00 0.00 H new ATOM 0 HA LYS A 28 3.498 -6.085 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.710 -6.791 5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.817 -8.145 5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.040 -8.156 7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.666 -7.506 7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.495 -5.501 7.228 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.488 -6.328 8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.924 -4.938 7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.829 -4.193 8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.460 -5.015 10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.351 -6.301 10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.729 -6.403 9.162 1.00 0.00 H new ATOM 413 N PHE A 29 2.780 -6.760 2.899 1.00 0.00 N ATOM 414 CA PHE A 29 3.314 -7.264 1.647 1.00 0.00 C ATOM 415 C PHE A 29 4.699 -6.691 1.414 1.00 0.00 C ATOM 416 O PHE A 29 5.672 -7.413 1.223 1.00 0.00 O ATOM 417 CB PHE A 29 2.381 -6.842 0.500 1.00 0.00 C ATOM 418 CG PHE A 29 2.772 -7.350 -0.865 1.00 0.00 C ATOM 419 CD1 PHE A 29 4.002 -7.037 -1.431 1.00 0.00 C ATOM 420 CD2 PHE A 29 1.897 -8.145 -1.587 1.00 0.00 C ATOM 421 CE1 PHE A 29 4.341 -7.509 -2.681 1.00 0.00 C ATOM 422 CE2 PHE A 29 2.235 -8.617 -2.841 1.00 0.00 C ATOM 423 CZ PHE A 29 3.457 -8.299 -3.387 1.00 0.00 C ATOM 0 H PHE A 29 1.852 -6.344 2.820 1.00 0.00 H new ATOM 0 HA PHE A 29 3.381 -8.351 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.373 -7.191 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.341 -5.753 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.699 -6.418 -0.886 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.937 -8.400 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.301 -7.260 -3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.541 -9.235 -3.392 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.724 -8.667 -4.367 1.00 0.00 H new ATOM 433 N PHE A 30 4.759 -5.372 1.444 1.00 0.00 N ATOM 434 CA PHE A 30 5.982 -4.635 1.192 1.00 0.00 C ATOM 435 C PHE A 30 7.032 -4.838 2.281 1.00 0.00 C ATOM 436 O PHE A 30 8.144 -5.280 2.013 1.00 0.00 O ATOM 437 CB PHE A 30 5.664 -3.146 1.093 1.00 0.00 C ATOM 438 CG PHE A 30 4.333 -2.821 0.476 1.00 0.00 C ATOM 439 CD1 PHE A 30 3.768 -3.625 -0.509 1.00 0.00 C ATOM 440 CD2 PHE A 30 3.641 -1.694 0.895 1.00 0.00 C ATOM 441 CE1 PHE A 30 2.534 -3.294 -1.054 1.00 0.00 C ATOM 442 CE2 PHE A 30 2.418 -1.367 0.351 1.00 0.00 C ATOM 443 CZ PHE A 30 1.863 -2.168 -0.623 1.00 0.00 C ATOM 0 H PHE A 30 3.954 -4.779 1.645 1.00 0.00 H new ATOM 0 HA PHE A 30 6.395 -5.015 0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.699 -2.715 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.446 -2.661 0.510 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.289 -4.507 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.068 -1.063 1.660 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.098 -3.920 -1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.895 -0.484 0.688 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.903 -1.915 -1.049 1.00 0.00 H new ATOM 453 N GLN A 31 6.651 -4.527 3.512 1.00 0.00 N ATOM 454 CA GLN A 31 7.562 -4.585 4.652 1.00 0.00 C ATOM 455 C GLN A 31 8.245 -5.927 4.821 1.00 0.00 C ATOM 456 O GLN A 31 9.463 -6.037 4.682 1.00 0.00 O ATOM 457 CB GLN A 31 6.791 -4.258 5.929 1.00 0.00 C ATOM 458 CG GLN A 31 7.680 -3.939 7.118 1.00 0.00 C ATOM 459 CD GLN A 31 7.954 -2.454 7.263 1.00 0.00 C ATOM 460 OE1 GLN A 31 7.991 -1.739 6.142 1.00 0.00 O flip ATOM 461 NE2 GLN A 31 8.132 -1.952 8.372 1.00 0.00 N flip ATOM 0 H GLN A 31 5.705 -4.228 3.751 1.00 0.00 H new ATOM 0 HA GLN A 31 8.347 -3.854 4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.136 -3.408 5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.151 -5.103 6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.208 -4.308 8.029 1.00 0.00 H new ATOM 0 HG3 GLN A 31 8.626 -4.470 7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.095 -2.536 9.208 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.316 -0.952 8.456 1.00 0.00 H new ATOM 470 N THR A 32 7.466 -6.939 5.120 1.00 0.00 N ATOM 471 CA THR A 32 8.014 -8.264 5.353 1.00 0.00 C ATOM 472 C THR A 32 8.994 -8.679 4.252 1.00 0.00 C ATOM 473 O THR A 32 10.143 -9.018 4.534 1.00 0.00 O ATOM 474 CB THR A 32 6.894 -9.315 5.494 1.00 0.00 C ATOM 475 OG1 THR A 32 6.087 -9.014 6.639 1.00 0.00 O ATOM 476 CG2 THR A 32 7.465 -10.720 5.631 1.00 0.00 C ATOM 0 H THR A 32 6.452 -6.876 5.209 1.00 0.00 H new ATOM 0 HA THR A 32 8.566 -8.216 6.292 1.00 0.00 H new ATOM 0 HB THR A 32 6.285 -9.280 4.591 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.376 -9.683 6.723 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.649 -11.436 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.056 -10.961 4.747 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.100 -10.770 6.516 1.00 0.00 H new ATOM 484 N SER A 33 8.542 -8.651 3.002 1.00 0.00 N ATOM 485 CA SER A 33 9.379 -9.055 1.884 1.00 0.00 C ATOM 486 C SER A 33 10.348 -7.976 1.410 1.00 0.00 C ATOM 487 O SER A 33 11.564 -8.162 1.448 1.00 0.00 O ATOM 488 CB SER A 33 8.503 -9.508 0.722 1.00 0.00 C ATOM 489 OG SER A 33 7.601 -8.494 0.332 1.00 0.00 O ATOM 0 H SER A 33 7.602 -8.353 2.741 1.00 0.00 H new ATOM 0 HA SER A 33 9.995 -9.877 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.132 -9.783 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.947 -10.401 1.009 1.00 0.00 H new ATOM 0 HG SER A 33 6.939 -8.355 1.041 1.00 0.00 H new ATOM 495 N GLY A 34 9.802 -6.849 0.966 1.00 0.00 N ATOM 496 CA GLY A 34 10.648 -5.821 0.380 1.00 0.00 C ATOM 497 C GLY A 34 11.071 -4.632 1.237 1.00 0.00 C ATOM 498 O GLY A 34 12.243 -4.515 1.593 1.00 0.00 O ATOM 0 H GLY A 34 8.807 -6.629 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.555 -6.307 0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.130 -5.428 -0.495 1.00 0.00 H new ATOM 502 N LEU A 35 10.116 -3.787 1.624 1.00 0.00 N ATOM 503 CA LEU A 35 10.415 -2.533 2.325 1.00 0.00 C ATOM 504 C LEU A 35 11.551 -2.652 3.334 1.00 0.00 C ATOM 505 O LEU A 35 12.399 -1.763 3.417 1.00 0.00 O ATOM 506 CB LEU A 35 9.153 -2.013 3.014 1.00 0.00 C ATOM 507 CG LEU A 35 8.764 -0.573 2.667 1.00 0.00 C ATOM 508 CD1 LEU A 35 8.738 -0.367 1.159 1.00 0.00 C ATOM 509 CD2 LEU A 35 7.410 -0.230 3.268 1.00 0.00 C ATOM 0 H LEU A 35 9.122 -3.947 1.464 1.00 0.00 H new ATOM 0 HA LEU A 35 10.754 -1.826 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.322 -2.669 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.292 -2.084 4.093 1.00 0.00 H new ATOM 0 HG LEU A 35 9.515 0.093 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.459 0.663 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.726 -0.572 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.010 -1.044 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.148 0.797 3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.654 -0.907 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.456 -0.333 4.352 1.00 0.00 H new ATOM 521 N SER A 36 11.546 -3.727 4.109 1.00 0.00 N ATOM 522 CA SER A 36 12.581 -3.969 5.121 1.00 0.00 C ATOM 523 C SER A 36 13.968 -3.435 4.722 1.00 0.00 C ATOM 524 O SER A 36 14.742 -3.035 5.592 1.00 0.00 O ATOM 525 CB SER A 36 12.678 -5.467 5.415 1.00 0.00 C ATOM 526 OG SER A 36 13.016 -6.195 4.248 1.00 0.00 O ATOM 0 H SER A 36 10.833 -4.455 4.060 1.00 0.00 H new ATOM 0 HA SER A 36 12.276 -3.419 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.428 -5.642 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.727 -5.826 5.808 1.00 0.00 H new ATOM 0 HG SER A 36 13.073 -7.149 4.463 1.00 0.00 H new ATOM 532 N LYS A 37 14.290 -3.422 3.426 1.00 0.00 N ATOM 533 CA LYS A 37 15.606 -2.923 3.003 1.00 0.00 C ATOM 534 C LYS A 37 15.631 -2.267 1.609 1.00 0.00 C ATOM 535 O LYS A 37 16.572 -1.540 1.293 1.00 0.00 O ATOM 536 CB LYS A 37 16.613 -4.062 3.035 1.00 0.00 C ATOM 537 CG LYS A 37 16.313 -5.153 2.038 1.00 0.00 C ATOM 538 CD LYS A 37 17.407 -6.199 2.036 1.00 0.00 C ATOM 539 CE LYS A 37 17.093 -7.339 1.082 1.00 0.00 C ATOM 540 NZ LYS A 37 15.833 -8.042 1.453 1.00 0.00 N ATOM 0 H LYS A 37 13.682 -3.740 2.671 1.00 0.00 H new ATOM 0 HA LYS A 37 15.864 -2.135 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.608 -3.663 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.634 -4.491 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.358 -5.620 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.214 -4.723 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.352 -5.736 1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.536 -6.593 3.044 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.007 -6.950 0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.919 -8.050 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.782 -8.951 0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.819 -8.212 2.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.017 -7.454 1.188 1.00 0.00 H new ATOM 554 N MET A 38 14.622 -2.510 0.778 1.00 0.00 N ATOM 555 CA MET A 38 14.597 -1.949 -0.573 1.00 0.00 C ATOM 556 C MET A 38 14.888 -0.449 -0.609 1.00 0.00 C ATOM 557 O MET A 38 14.574 0.290 0.324 1.00 0.00 O ATOM 558 CB MET A 38 13.255 -2.220 -1.237 1.00 0.00 C ATOM 559 CG MET A 38 12.904 -3.691 -1.304 1.00 0.00 C ATOM 560 SD MET A 38 14.016 -4.624 -2.372 1.00 0.00 S ATOM 561 CE MET A 38 13.674 -6.298 -1.838 1.00 0.00 C ATOM 0 H MET A 38 13.815 -3.088 1.012 1.00 0.00 H new ATOM 0 HA MET A 38 15.396 -2.447 -1.122 1.00 0.00 H new ATOM 0 HB2 MET A 38 12.474 -1.692 -0.690 1.00 0.00 H new ATOM 0 HB3 MET A 38 13.269 -1.811 -2.247 1.00 0.00 H new ATOM 0 HG2 MET A 38 12.933 -4.113 -0.299 1.00 0.00 H new ATOM 0 HG3 MET A 38 11.882 -3.800 -1.667 1.00 0.00 H new ATOM 0 HE1 MET A 38 14.104 -7.002 -2.550 1.00 0.00 H new ATOM 0 HE2 MET A 38 14.114 -6.463 -0.854 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.596 -6.449 -1.784 1.00 0.00 H new ATOM 571 N SER A 39 15.498 -0.027 -1.715 1.00 0.00 N ATOM 572 CA SER A 39 15.844 1.372 -1.941 1.00 0.00 C ATOM 573 C SER A 39 14.592 2.208 -2.204 1.00 0.00 C ATOM 574 O SER A 39 13.508 1.664 -2.379 1.00 0.00 O ATOM 575 CB SER A 39 16.812 1.492 -3.119 1.00 0.00 C ATOM 576 OG SER A 39 17.978 0.717 -2.903 1.00 0.00 O ATOM 0 H SER A 39 15.766 -0.647 -2.479 1.00 0.00 H new ATOM 0 HA SER A 39 16.328 1.753 -1.042 1.00 0.00 H new ATOM 0 HB2 SER A 39 16.318 1.164 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 39 17.088 2.537 -3.262 1.00 0.00 H new ATOM 0 HG SER A 39 18.579 0.810 -3.671 1.00 0.00 H new ATOM 582 N ALA A 40 14.747 3.528 -2.204 1.00 0.00 N ATOM 583 CA ALA A 40 13.623 4.436 -2.446 1.00 0.00 C ATOM 584 C ALA A 40 13.020 4.276 -3.848 1.00 0.00 C ATOM 585 O ALA A 40 11.800 4.246 -4.011 1.00 0.00 O ATOM 586 CB ALA A 40 14.044 5.879 -2.223 1.00 0.00 C ATOM 0 H ALA A 40 15.638 3.996 -2.040 1.00 0.00 H new ATOM 0 HA ALA A 40 12.847 4.167 -1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.196 6.538 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 40 14.384 6.004 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 40 14.855 6.131 -2.906 1.00 0.00 H new ATOM 592 N SER A 41 13.882 4.169 -4.856 1.00 0.00 N ATOM 593 CA SER A 41 13.446 4.069 -6.248 1.00 0.00 C ATOM 594 C SER A 41 12.333 3.049 -6.444 1.00 0.00 C ATOM 595 O SER A 41 11.245 3.390 -6.907 1.00 0.00 O ATOM 596 CB SER A 41 14.635 3.708 -7.140 1.00 0.00 C ATOM 597 OG SER A 41 15.618 4.729 -7.119 1.00 0.00 O ATOM 0 H SER A 41 14.894 4.149 -4.734 1.00 0.00 H new ATOM 0 HA SER A 41 13.045 5.043 -6.527 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.074 2.769 -6.803 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.292 3.550 -8.162 1.00 0.00 H new ATOM 0 HG SER A 41 16.368 4.473 -7.696 1.00 0.00 H new ATOM 603 N GLN A 42 12.604 1.804 -6.096 1.00 0.00 N ATOM 604 CA GLN A 42 11.614 0.742 -6.261 1.00 0.00 C ATOM 605 C GLN A 42 10.309 1.094 -5.566 1.00 0.00 C ATOM 606 O GLN A 42 9.232 0.673 -5.988 1.00 0.00 O ATOM 607 CB GLN A 42 12.145 -0.573 -5.712 1.00 0.00 C ATOM 608 CG GLN A 42 12.528 -0.502 -4.253 1.00 0.00 C ATOM 609 CD GLN A 42 11.378 -0.847 -3.326 1.00 0.00 C ATOM 610 OE1 GLN A 42 10.663 0.031 -2.848 1.00 0.00 O ATOM 611 NE2 GLN A 42 11.189 -2.136 -3.074 1.00 0.00 N ATOM 0 H GLN A 42 13.493 1.499 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 42 11.421 0.635 -7.328 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.388 -1.346 -5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.015 -0.877 -6.294 1.00 0.00 H new ATOM 0 HG2 GLN A 42 13.357 -1.185 -4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.884 0.502 -4.024 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.806 -2.833 -3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.427 -2.430 -2.463 1.00 0.00 H new ATOM 620 N VAL A 43 10.415 1.889 -4.516 1.00 0.00 N ATOM 621 CA VAL A 43 9.236 2.288 -3.758 1.00 0.00 C ATOM 622 C VAL A 43 8.264 3.020 -4.665 1.00 0.00 C ATOM 623 O VAL A 43 7.055 2.798 -4.607 1.00 0.00 O ATOM 624 CB VAL A 43 9.566 3.195 -2.563 1.00 0.00 C ATOM 625 CG1 VAL A 43 8.378 3.270 -1.624 1.00 0.00 C ATOM 626 CG2 VAL A 43 10.805 2.717 -1.823 1.00 0.00 C ATOM 0 H VAL A 43 11.295 2.270 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 43 8.796 1.370 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 43 9.780 4.193 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.622 3.915 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.519 3.678 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.139 2.271 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.007 3.383 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.639 1.706 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.658 2.719 -2.502 1.00 0.00 H new ATOM 636 N LYS A 44 8.802 3.898 -5.510 1.00 0.00 N ATOM 637 CA LYS A 44 7.975 4.645 -6.448 1.00 0.00 C ATOM 638 C LYS A 44 7.116 3.678 -7.242 1.00 0.00 C ATOM 639 O LYS A 44 5.971 3.970 -7.571 1.00 0.00 O ATOM 640 CB LYS A 44 8.829 5.474 -7.389 1.00 0.00 C ATOM 641 CG LYS A 44 9.840 6.362 -6.685 1.00 0.00 C ATOM 642 CD LYS A 44 10.731 7.086 -7.679 1.00 0.00 C ATOM 643 CE LYS A 44 11.371 6.115 -8.659 1.00 0.00 C ATOM 644 NZ LYS A 44 12.434 6.766 -9.473 1.00 0.00 N ATOM 0 H LYS A 44 9.799 4.107 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 44 7.338 5.326 -5.884 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.359 4.805 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.177 6.097 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.317 7.091 -6.065 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.454 5.758 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.144 7.824 -8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.509 7.631 -7.144 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.797 5.275 -8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.605 5.709 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.845 6.070 -10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.023 7.552 -10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.178 7.131 -8.845 1.00 0.00 H new ATOM 658 N ASP A 45 7.699 2.521 -7.548 1.00 0.00 N ATOM 659 CA ASP A 45 6.995 1.472 -8.268 1.00 0.00 C ATOM 660 C ASP A 45 5.969 0.828 -7.351 1.00 0.00 C ATOM 661 O ASP A 45 4.815 0.660 -7.717 1.00 0.00 O ATOM 662 CB ASP A 45 7.976 0.420 -8.769 1.00 0.00 C ATOM 663 CG ASP A 45 7.303 -0.644 -9.615 1.00 0.00 C ATOM 664 OD1 ASP A 45 6.688 -1.564 -9.034 1.00 0.00 O ATOM 665 OD2 ASP A 45 7.392 -0.559 -10.858 1.00 0.00 O ATOM 0 H ASP A 45 8.662 2.289 -7.305 1.00 0.00 H new ATOM 0 HA ASP A 45 6.489 1.911 -9.128 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.757 0.905 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.464 -0.053 -7.917 1.00 0.00 H new ATOM 670 N ILE A 46 6.407 0.465 -6.151 1.00 0.00 N ATOM 671 CA ILE A 46 5.532 -0.134 -5.163 1.00 0.00 C ATOM 672 C ILE A 46 4.256 0.693 -5.006 1.00 0.00 C ATOM 673 O ILE A 46 3.148 0.169 -5.108 1.00 0.00 O ATOM 674 CB ILE A 46 6.306 -0.276 -3.836 1.00 0.00 C ATOM 675 CG1 ILE A 46 7.069 -1.595 -3.857 1.00 0.00 C ATOM 676 CG2 ILE A 46 5.411 -0.191 -2.609 1.00 0.00 C ATOM 677 CD1 ILE A 46 8.553 -1.440 -3.664 1.00 0.00 C ATOM 0 H ILE A 46 7.372 0.578 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 46 5.220 -1.127 -5.487 1.00 0.00 H new ATOM 0 HB ILE A 46 6.996 0.564 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.676 -2.244 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.886 -2.095 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 46 6.016 -0.298 -1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.906 0.775 -2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.669 -0.989 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.028 -2.421 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.960 -0.818 -4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.747 -0.969 -2.700 1.00 0.00 H new ATOM 689 N PHE A 47 4.434 1.983 -4.745 1.00 0.00 N ATOM 690 CA PHE A 47 3.326 2.930 -4.603 1.00 0.00 C ATOM 691 C PHE A 47 2.159 2.597 -5.535 1.00 0.00 C ATOM 692 O PHE A 47 0.992 2.762 -5.181 1.00 0.00 O ATOM 693 CB PHE A 47 3.873 4.325 -4.917 1.00 0.00 C ATOM 694 CG PHE A 47 2.854 5.324 -5.404 1.00 0.00 C ATOM 695 CD1 PHE A 47 1.783 5.687 -4.607 1.00 0.00 C ATOM 696 CD2 PHE A 47 2.966 5.884 -6.666 1.00 0.00 C ATOM 697 CE1 PHE A 47 0.843 6.591 -5.060 1.00 0.00 C ATOM 698 CE2 PHE A 47 2.030 6.790 -7.124 1.00 0.00 C ATOM 699 CZ PHE A 47 0.967 7.145 -6.319 1.00 0.00 C ATOM 0 H PHE A 47 5.354 2.407 -4.625 1.00 0.00 H new ATOM 0 HA PHE A 47 2.934 2.878 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.346 4.722 -4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.653 4.229 -5.672 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.681 5.259 -3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.796 5.608 -7.300 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.010 6.865 -4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.130 7.220 -8.110 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.234 7.855 -6.673 1.00 0.00 H new ATOM 709 N ARG A 48 2.500 2.132 -6.719 1.00 0.00 N ATOM 710 CA ARG A 48 1.505 1.796 -7.725 1.00 0.00 C ATOM 711 C ARG A 48 0.478 0.794 -7.218 1.00 0.00 C ATOM 712 O ARG A 48 -0.670 0.814 -7.660 1.00 0.00 O ATOM 713 CB ARG A 48 2.179 1.295 -8.978 1.00 0.00 C ATOM 714 CG ARG A 48 2.750 2.432 -9.799 1.00 0.00 C ATOM 715 CD ARG A 48 3.485 3.459 -8.945 1.00 0.00 C ATOM 716 NE ARG A 48 4.010 4.560 -9.749 1.00 0.00 N ATOM 717 CZ ARG A 48 3.271 5.585 -10.159 1.00 0.00 C ATOM 718 NH1 ARG A 48 1.983 5.645 -9.844 1.00 0.00 N ATOM 719 NH2 ARG A 48 3.815 6.551 -10.887 1.00 0.00 N ATOM 0 H ARG A 48 3.464 1.976 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 48 0.957 2.709 -7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.977 0.603 -8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.461 0.737 -9.579 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.434 2.029 -10.545 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.943 2.926 -10.340 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.807 3.853 -8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.305 2.972 -8.417 1.00 0.00 H new ATOM 0 HE ARG A 48 4.996 4.541 -10.009 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.559 4.903 -9.286 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.417 6.433 -10.160 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.804 6.508 -11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.245 7.336 -11.200 1.00 0.00 H new ATOM 733 N PHE A 49 0.873 -0.089 -6.293 1.00 0.00 N ATOM 734 CA PHE A 49 -0.079 -1.057 -5.750 1.00 0.00 C ATOM 735 C PHE A 49 -1.294 -0.297 -5.240 1.00 0.00 C ATOM 736 O PHE A 49 -2.413 -0.510 -5.710 1.00 0.00 O ATOM 737 CB PHE A 49 0.544 -1.921 -4.642 1.00 0.00 C ATOM 738 CG PHE A 49 -0.424 -2.912 -4.054 1.00 0.00 C ATOM 739 CD1 PHE A 49 -0.708 -4.097 -4.714 1.00 0.00 C ATOM 740 CD2 PHE A 49 -1.051 -2.659 -2.842 1.00 0.00 C ATOM 741 CE1 PHE A 49 -1.597 -5.010 -4.180 1.00 0.00 C ATOM 742 CE2 PHE A 49 -1.941 -3.569 -2.304 1.00 0.00 C ATOM 743 CZ PHE A 49 -2.213 -4.746 -2.973 1.00 0.00 C ATOM 0 H PHE A 49 1.818 -0.152 -5.915 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.376 -1.748 -6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.403 -2.457 -5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.917 -1.272 -3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.228 -4.310 -5.658 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.841 -1.741 -2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.810 -5.929 -4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.424 -3.360 -1.361 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.907 -5.459 -2.553 1.00 0.00 H new ATOM 753 N ILE A 50 -1.072 0.593 -4.279 1.00 0.00 N ATOM 754 CA ILE A 50 -2.146 1.425 -3.781 1.00 0.00 C ATOM 755 C ILE A 50 -2.438 2.521 -4.789 1.00 0.00 C ATOM 756 O ILE A 50 -1.543 3.267 -5.165 1.00 0.00 O ATOM 757 CB ILE A 50 -1.830 2.046 -2.417 1.00 0.00 C ATOM 758 CG1 ILE A 50 -0.534 2.861 -2.459 1.00 0.00 C ATOM 759 CG2 ILE A 50 -1.732 0.957 -1.365 1.00 0.00 C ATOM 760 CD1 ILE A 50 -0.246 3.590 -1.163 1.00 0.00 C ATOM 0 H ILE A 50 -0.166 0.751 -3.837 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.019 0.787 -3.645 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.641 2.727 -2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.299 2.196 -2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.594 3.586 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.507 1.405 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.680 0.422 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.939 0.260 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.685 4.148 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.061 4.279 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.154 2.868 -0.352 1.00 0.00 H new ATOM 772 N ASP A 51 -3.701 2.586 -5.210 1.00 0.00 N ATOM 773 CA ASP A 51 -4.189 3.542 -6.224 1.00 0.00 C ATOM 774 C ASP A 51 -3.092 4.045 -7.170 1.00 0.00 C ATOM 775 O ASP A 51 -2.176 4.774 -6.787 1.00 0.00 O ATOM 776 CB ASP A 51 -4.946 4.703 -5.593 1.00 0.00 C ATOM 777 CG ASP A 51 -6.445 4.499 -5.701 1.00 0.00 C ATOM 778 OD1 ASP A 51 -7.019 3.840 -4.810 1.00 0.00 O ATOM 779 OD2 ASP A 51 -7.044 5.000 -6.676 1.00 0.00 O ATOM 0 H ASP A 51 -4.432 1.969 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.888 2.978 -6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.663 4.799 -4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.666 5.634 -6.085 1.00 0.00 H new ATOM 784 N ASN A 52 -3.277 3.716 -8.436 1.00 0.00 N ATOM 785 CA ASN A 52 -2.313 4.038 -9.481 1.00 0.00 C ATOM 786 C ASN A 52 -2.399 5.489 -9.945 1.00 0.00 C ATOM 787 O ASN A 52 -1.376 6.091 -10.266 1.00 0.00 O ATOM 788 CB ASN A 52 -2.505 3.106 -10.677 1.00 0.00 C ATOM 789 CG ASN A 52 -3.914 3.147 -11.227 1.00 0.00 C ATOM 790 OD1 ASN A 52 -4.835 2.559 -10.660 1.00 0.00 O ATOM 791 ND2 ASN A 52 -4.080 3.833 -12.345 1.00 0.00 N ATOM 0 H ASN A 52 -4.101 3.217 -8.772 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.323 3.897 -9.047 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.804 3.382 -11.464 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.265 2.085 -10.380 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.003 3.892 -12.775 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.285 4.304 -12.777 1.00 0.00 H new ATOM 798 N ASP A 53 -3.601 6.062 -9.978 1.00 0.00 N ATOM 799 CA ASP A 53 -3.742 7.441 -10.442 1.00 0.00 C ATOM 800 C ASP A 53 -5.009 8.111 -9.932 1.00 0.00 C ATOM 801 O ASP A 53 -5.940 8.371 -10.693 1.00 0.00 O ATOM 802 CB ASP A 53 -3.720 7.496 -11.969 1.00 0.00 C ATOM 803 CG ASP A 53 -2.426 6.967 -12.554 1.00 0.00 C ATOM 804 OD1 ASP A 53 -2.334 5.743 -12.783 1.00 0.00 O ATOM 805 OD2 ASP A 53 -1.503 7.777 -12.782 1.00 0.00 O ATOM 0 H ASP A 53 -4.470 5.608 -9.697 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.893 7.990 -10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.555 6.916 -12.362 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.867 8.526 -12.294 1.00 0.00 H new ATOM 810 N GLN A 54 -5.032 8.383 -8.643 1.00 0.00 N ATOM 811 CA GLN A 54 -6.166 9.056 -8.032 1.00 0.00 C ATOM 812 C GLN A 54 -6.303 10.491 -8.539 1.00 0.00 C ATOM 813 O GLN A 54 -7.078 10.765 -9.454 1.00 0.00 O ATOM 814 CB GLN A 54 -6.011 9.071 -6.517 1.00 0.00 C ATOM 815 CG GLN A 54 -6.617 7.872 -5.814 1.00 0.00 C ATOM 816 CD GLN A 54 -6.601 8.061 -4.316 1.00 0.00 C ATOM 817 OE1 GLN A 54 -6.735 9.182 -3.827 1.00 0.00 O ATOM 818 NE2 GLN A 54 -6.424 6.982 -3.566 1.00 0.00 N ATOM 0 H GLN A 54 -4.279 8.149 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.065 8.505 -8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.950 9.122 -6.273 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.472 9.978 -6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.642 7.725 -6.155 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.061 6.972 -6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.316 6.068 -4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.396 7.066 -2.550 1.00 0.00 H new ATOM 827 N SER A 55 -5.538 11.399 -7.939 1.00 0.00 N ATOM 828 CA SER A 55 -5.580 12.809 -8.313 1.00 0.00 C ATOM 829 C SER A 55 -4.317 13.526 -7.854 1.00 0.00 C ATOM 830 O SER A 55 -4.374 14.663 -7.388 1.00 0.00 O ATOM 831 CB SER A 55 -6.808 13.483 -7.699 1.00 0.00 C ATOM 832 OG SER A 55 -8.001 12.822 -8.087 1.00 0.00 O ATOM 0 H SER A 55 -4.880 11.182 -7.190 1.00 0.00 H new ATOM 0 HA SER A 55 -5.642 12.871 -9.399 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.723 13.479 -6.612 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.848 14.526 -8.012 1.00 0.00 H new ATOM 0 HG SER A 55 -7.821 12.249 -8.861 1.00 0.00 H new ATOM 838 N GLY A 56 -3.180 12.857 -7.987 1.00 0.00 N ATOM 839 CA GLY A 56 -1.928 13.448 -7.553 1.00 0.00 C ATOM 840 C GLY A 56 -1.431 12.824 -6.267 1.00 0.00 C ATOM 841 O GLY A 56 -0.240 12.872 -5.957 1.00 0.00 O ATOM 0 H GLY A 56 -3.101 11.921 -8.385 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.177 13.322 -8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.062 14.520 -7.409 1.00 0.00 H new ATOM 845 N TYR A 57 -2.358 12.239 -5.517 1.00 0.00 N ATOM 846 CA TYR A 57 -2.043 11.603 -4.245 1.00 0.00 C ATOM 847 C TYR A 57 -3.170 10.663 -3.861 1.00 0.00 C ATOM 848 O TYR A 57 -4.260 10.714 -4.431 1.00 0.00 O ATOM 849 CB TYR A 57 -1.859 12.645 -3.126 1.00 0.00 C ATOM 850 CG TYR A 57 -1.927 14.072 -3.596 1.00 0.00 C ATOM 851 CD1 TYR A 57 -3.146 14.704 -3.664 1.00 0.00 C ATOM 852 CD2 TYR A 57 -0.793 14.768 -3.991 1.00 0.00 C ATOM 853 CE1 TYR A 57 -3.253 16.004 -4.111 1.00 0.00 C ATOM 854 CE2 TYR A 57 -0.883 16.072 -4.436 1.00 0.00 C ATOM 855 CZ TYR A 57 -2.117 16.687 -4.495 1.00 0.00 C ATOM 856 OH TYR A 57 -2.216 17.985 -4.942 1.00 0.00 O ATOM 0 H TYR A 57 -3.344 12.193 -5.773 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.109 11.054 -4.363 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.626 12.487 -2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.896 12.478 -2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.036 14.172 -3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.171 14.284 -3.950 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.219 16.484 -4.160 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.006 16.607 -4.736 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.324 18.321 -5.171 1.00 0.00 H new ATOM 866 N LEU A 58 -2.907 9.808 -2.895 1.00 0.00 N ATOM 867 CA LEU A 58 -3.917 8.885 -2.424 1.00 0.00 C ATOM 868 C LEU A 58 -4.473 9.402 -1.111 1.00 0.00 C ATOM 869 O LEU A 58 -3.779 10.122 -0.400 1.00 0.00 O ATOM 870 CB LEU A 58 -3.330 7.484 -2.260 1.00 0.00 C ATOM 871 CG LEU A 58 -2.497 7.000 -3.450 1.00 0.00 C ATOM 872 CD1 LEU A 58 -1.940 5.609 -3.197 1.00 0.00 C ATOM 873 CD2 LEU A 58 -3.325 7.026 -4.717 1.00 0.00 C ATOM 0 H LEU A 58 -2.006 9.733 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.724 8.815 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.707 7.468 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.145 6.780 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.653 7.678 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.353 5.290 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.305 5.627 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.762 4.911 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.720 6.679 -5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.190 6.373 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.662 8.044 -4.910 1.00 0.00 H new ATOM 885 N ASP A 59 -5.716 9.066 -0.786 1.00 0.00 N ATOM 886 CA ASP A 59 -6.298 9.539 0.457 1.00 0.00 C ATOM 887 C ASP A 59 -7.209 8.493 1.067 1.00 0.00 C ATOM 888 O ASP A 59 -7.810 7.672 0.374 1.00 0.00 O ATOM 889 CB ASP A 59 -7.058 10.837 0.220 1.00 0.00 C ATOM 890 CG ASP A 59 -7.470 11.514 1.514 1.00 0.00 C ATOM 891 OD1 ASP A 59 -8.463 11.069 2.129 1.00 0.00 O ATOM 892 OD2 ASP A 59 -6.798 12.489 1.913 1.00 0.00 O ATOM 0 H ASP A 59 -6.327 8.480 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.489 9.728 1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.435 11.518 -0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.946 10.630 -0.377 1.00 0.00 H new ATOM 897 N GLY A 60 -7.304 8.564 2.387 1.00 0.00 N ATOM 898 CA GLY A 60 -8.068 7.601 3.169 1.00 0.00 C ATOM 899 C GLY A 60 -9.389 7.211 2.549 1.00 0.00 C ATOM 900 O GLY A 60 -9.870 6.098 2.758 1.00 0.00 O ATOM 0 H GLY A 60 -6.855 9.289 2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.466 6.703 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.253 8.018 4.159 1.00 0.00 H new ATOM 904 N ASP A 61 -9.981 8.121 1.797 1.00 0.00 N ATOM 905 CA ASP A 61 -11.256 7.857 1.154 1.00 0.00 C ATOM 906 C ASP A 61 -11.070 6.918 -0.025 1.00 0.00 C ATOM 907 O ASP A 61 -11.759 5.910 -0.168 1.00 0.00 O ATOM 908 CB ASP A 61 -11.875 9.159 0.653 1.00 0.00 C ATOM 909 CG ASP A 61 -11.893 10.243 1.713 1.00 0.00 C ATOM 910 OD1 ASP A 61 -10.909 11.006 1.799 1.00 0.00 O ATOM 911 OD2 ASP A 61 -12.895 10.331 2.455 1.00 0.00 O ATOM 0 H ASP A 61 -9.600 9.050 1.616 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.916 7.395 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.316 9.513 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.894 8.967 0.318 1.00 0.00 H new ATOM 916 N GLU A 62 -10.118 7.283 -0.862 1.00 0.00 N ATOM 917 CA GLU A 62 -9.814 6.553 -2.081 1.00 0.00 C ATOM 918 C GLU A 62 -8.996 5.288 -1.843 1.00 0.00 C ATOM 919 O GLU A 62 -9.090 4.331 -2.611 1.00 0.00 O ATOM 920 CB GLU A 62 -9.095 7.480 -3.036 1.00 0.00 C ATOM 921 CG GLU A 62 -9.959 8.641 -3.490 1.00 0.00 C ATOM 922 CD GLU A 62 -9.279 9.522 -4.517 1.00 0.00 C ATOM 923 OE1 GLU A 62 -9.309 9.170 -5.715 1.00 0.00 O ATOM 924 OE2 GLU A 62 -8.713 10.566 -4.125 1.00 0.00 O ATOM 0 H GLU A 62 -9.528 8.102 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.758 6.217 -2.509 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.198 7.868 -2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.768 6.914 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.887 8.253 -3.910 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.230 9.245 -2.624 1.00 0.00 H new ATOM 931 N LEU A 63 -8.190 5.292 -0.788 1.00 0.00 N ATOM 932 CA LEU A 63 -7.326 4.155 -0.457 1.00 0.00 C ATOM 933 C LEU A 63 -8.007 2.808 -0.717 1.00 0.00 C ATOM 934 O LEU A 63 -7.363 1.851 -1.146 1.00 0.00 O ATOM 935 CB LEU A 63 -6.920 4.232 1.017 1.00 0.00 C ATOM 936 CG LEU A 63 -5.976 5.375 1.383 1.00 0.00 C ATOM 937 CD1 LEU A 63 -5.372 5.162 2.762 1.00 0.00 C ATOM 938 CD2 LEU A 63 -4.891 5.543 0.329 1.00 0.00 C ATOM 0 H LEU A 63 -8.114 6.075 -0.139 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.450 4.216 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.824 4.324 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.446 3.290 1.294 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.558 6.296 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.704 5.990 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.168 5.115 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.810 4.228 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.232 6.363 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.312 4.622 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.351 5.764 -0.634 1.00 0.00 H new ATOM 950 N LYS A 64 -9.308 2.745 -0.459 1.00 0.00 N ATOM 951 CA LYS A 64 -10.082 1.522 -0.649 1.00 0.00 C ATOM 952 C LYS A 64 -10.081 1.037 -2.099 1.00 0.00 C ATOM 953 O LYS A 64 -10.216 -0.158 -2.359 1.00 0.00 O ATOM 954 CB LYS A 64 -11.525 1.808 -0.238 1.00 0.00 C ATOM 955 CG LYS A 64 -11.686 2.331 1.179 1.00 0.00 C ATOM 956 CD LYS A 64 -13.125 2.746 1.447 1.00 0.00 C ATOM 957 CE LYS A 64 -13.433 4.106 0.847 1.00 0.00 C ATOM 958 NZ LYS A 64 -14.884 4.434 0.920 1.00 0.00 N ATOM 0 H LYS A 64 -9.854 3.534 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.625 0.740 -0.042 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.949 2.535 -0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.107 0.892 -0.342 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.387 1.561 1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.023 3.183 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.803 2.001 1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.303 2.773 2.522 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.862 4.871 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.109 4.125 -0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.050 5.371 0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.428 3.718 0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.188 4.442 1.914 1.00 0.00 H new ATOM 972 N TYR A 65 -9.923 1.958 -3.034 1.00 0.00 N ATOM 973 CA TYR A 65 -9.930 1.615 -4.458 1.00 0.00 C ATOM 974 C TYR A 65 -8.697 0.815 -4.880 1.00 0.00 C ATOM 975 O TYR A 65 -8.673 0.240 -5.967 1.00 0.00 O ATOM 976 CB TYR A 65 -10.048 2.889 -5.304 1.00 0.00 C ATOM 977 CG TYR A 65 -11.117 3.842 -4.806 1.00 0.00 C ATOM 978 CD1 TYR A 65 -12.141 3.395 -3.975 1.00 0.00 C ATOM 979 CD2 TYR A 65 -11.096 5.186 -5.154 1.00 0.00 C ATOM 980 CE1 TYR A 65 -13.111 4.260 -3.507 1.00 0.00 C ATOM 981 CE2 TYR A 65 -12.065 6.058 -4.691 1.00 0.00 C ATOM 982 CZ TYR A 65 -13.070 5.590 -3.869 1.00 0.00 C ATOM 983 OH TYR A 65 -14.035 6.454 -3.407 1.00 0.00 O ATOM 0 H TYR A 65 -9.788 2.950 -2.840 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.796 0.976 -4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.087 3.403 -5.310 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.269 2.613 -6.335 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.177 2.354 -3.691 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -10.311 5.556 -5.796 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.897 3.897 -2.861 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.035 7.100 -4.972 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.861 7.354 -3.753 1.00 0.00 H new ATOM 993 N PHE A 66 -7.690 0.755 -4.015 1.00 0.00 N ATOM 994 CA PHE A 66 -6.452 0.061 -4.322 1.00 0.00 C ATOM 995 C PHE A 66 -6.679 -1.328 -4.934 1.00 0.00 C ATOM 996 O PHE A 66 -5.965 -1.736 -5.850 1.00 0.00 O ATOM 997 CB PHE A 66 -5.596 -0.027 -3.044 1.00 0.00 C ATOM 998 CG PHE A 66 -5.900 -1.188 -2.126 1.00 0.00 C ATOM 999 CD1 PHE A 66 -7.194 -1.491 -1.760 1.00 0.00 C ATOM 1000 CD2 PHE A 66 -4.879 -1.986 -1.639 1.00 0.00 C ATOM 1001 CE1 PHE A 66 -7.465 -2.566 -0.942 1.00 0.00 C ATOM 1002 CE2 PHE A 66 -5.149 -3.063 -0.817 1.00 0.00 C ATOM 1003 CZ PHE A 66 -6.443 -3.355 -0.473 1.00 0.00 C ATOM 0 H PHE A 66 -7.711 1.183 -3.090 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.924 0.635 -5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.547 -0.084 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -5.721 0.898 -2.482 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.007 -0.877 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.856 -1.763 -1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.486 -2.789 -0.668 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.340 -3.675 -0.445 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.658 -4.201 0.163 1.00 0.00 H new ATOM 1013 N LEU A 67 -7.666 -2.037 -4.426 1.00 0.00 N ATOM 1014 CA LEU A 67 -8.008 -3.356 -4.883 1.00 0.00 C ATOM 1015 C LEU A 67 -8.941 -3.259 -6.071 1.00 0.00 C ATOM 1016 O LEU A 67 -8.961 -4.123 -6.942 1.00 0.00 O ATOM 1017 CB LEU A 67 -8.652 -4.117 -3.724 1.00 0.00 C ATOM 1018 CG LEU A 67 -7.671 -4.934 -2.899 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -8.335 -5.507 -1.656 1.00 0.00 C ATOM 1020 CD2 LEU A 67 -7.075 -6.018 -3.761 1.00 0.00 C ATOM 0 H LEU A 67 -8.261 -1.700 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.118 -3.895 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.155 -3.405 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.419 -4.782 -4.121 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.869 -4.282 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.606 -6.086 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.713 -4.693 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.162 -6.153 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.371 -6.606 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.869 -6.667 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.553 -5.566 -4.605 1.00 0.00 H new ATOM 1032 N GLN A 68 -9.696 -2.171 -6.098 1.00 0.00 N ATOM 1033 CA GLN A 68 -10.647 -1.919 -7.149 1.00 0.00 C ATOM 1034 C GLN A 68 -9.921 -1.626 -8.451 1.00 0.00 C ATOM 1035 O GLN A 68 -10.299 -2.137 -9.506 1.00 0.00 O ATOM 1036 CB GLN A 68 -11.554 -0.761 -6.738 1.00 0.00 C ATOM 1037 CG GLN A 68 -12.582 -1.154 -5.692 1.00 0.00 C ATOM 1038 CD GLN A 68 -13.753 -0.194 -5.632 1.00 0.00 C ATOM 1039 OE1 GLN A 68 -13.603 1.003 -5.878 1.00 0.00 O ATOM 1040 NE2 GLN A 68 -14.929 -0.718 -5.309 1.00 0.00 N ATOM 0 H GLN A 68 -9.660 -1.441 -5.386 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.266 -2.801 -7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.941 0.053 -6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -12.069 -0.379 -7.620 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.950 -2.157 -5.910 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.102 -1.196 -4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.006 -1.716 -5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.756 -0.123 -5.257 1.00 0.00 H new ATOM 1049 N LYS A 69 -8.871 -0.803 -8.384 1.00 0.00 N ATOM 1050 CA LYS A 69 -8.091 -0.481 -9.571 1.00 0.00 C ATOM 1051 C LYS A 69 -7.679 -1.734 -10.327 1.00 0.00 C ATOM 1052 O LYS A 69 -8.075 -1.947 -11.473 1.00 0.00 O ATOM 1053 CB LYS A 69 -6.806 0.259 -9.181 1.00 0.00 C ATOM 1054 CG LYS A 69 -6.977 1.351 -8.140 1.00 0.00 C ATOM 1055 CD LYS A 69 -8.236 2.165 -8.339 1.00 0.00 C ATOM 1056 CE LYS A 69 -8.292 2.794 -9.724 1.00 0.00 C ATOM 1057 NZ LYS A 69 -9.488 3.666 -9.892 1.00 0.00 N ATOM 0 H LYS A 69 -8.548 -0.354 -7.527 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.725 0.141 -10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.087 -0.469 -8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.374 0.700 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.996 0.900 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.113 2.015 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.108 1.527 -8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.285 2.948 -7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.389 3.381 -9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.307 2.008 -10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.488 4.075 -10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.351 3.102 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.461 4.432 -9.189 1.00 0.00 H new ATOM 1071 N PHE A 70 -6.878 -2.555 -9.668 1.00 0.00 N ATOM 1072 CA PHE A 70 -6.364 -3.775 -10.265 1.00 0.00 C ATOM 1073 C PHE A 70 -7.458 -4.840 -10.406 1.00 0.00 C ATOM 1074 O PHE A 70 -7.548 -5.510 -11.434 1.00 0.00 O ATOM 1075 CB PHE A 70 -5.159 -4.265 -9.431 1.00 0.00 C ATOM 1076 CG PHE A 70 -5.192 -5.714 -9.011 1.00 0.00 C ATOM 1077 CD1 PHE A 70 -5.893 -6.096 -7.880 1.00 0.00 C ATOM 1078 CD2 PHE A 70 -4.528 -6.685 -9.744 1.00 0.00 C ATOM 1079 CE1 PHE A 70 -5.934 -7.416 -7.484 1.00 0.00 C ATOM 1080 CE2 PHE A 70 -4.564 -8.011 -9.354 1.00 0.00 C ATOM 1081 CZ PHE A 70 -5.269 -8.377 -8.222 1.00 0.00 C ATOM 0 H PHE A 70 -6.568 -2.395 -8.710 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.024 -3.572 -11.281 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.250 -4.095 -10.008 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -5.088 -3.649 -8.535 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.415 -5.350 -7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.977 -6.403 -10.629 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.485 -7.699 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.043 -8.759 -9.932 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.300 -9.412 -7.915 1.00 0.00 H new ATOM 1091 N GLN A 71 -8.282 -4.991 -9.377 1.00 0.00 N ATOM 1092 CA GLN A 71 -9.343 -5.989 -9.418 1.00 0.00 C ATOM 1093 C GLN A 71 -10.582 -5.446 -10.132 1.00 0.00 C ATOM 1094 O GLN A 71 -10.833 -5.794 -11.284 1.00 0.00 O ATOM 1095 CB GLN A 71 -9.702 -6.483 -8.014 1.00 0.00 C ATOM 1096 CG GLN A 71 -10.525 -7.761 -8.021 1.00 0.00 C ATOM 1097 CD GLN A 71 -10.894 -8.243 -6.628 1.00 0.00 C ATOM 1098 OE1 GLN A 71 -11.200 -7.312 -5.729 1.00 0.00 O flip ATOM 1099 NE2 GLN A 71 -10.925 -9.446 -6.370 1.00 0.00 N flip ATOM 0 H GLN A 71 -8.238 -4.445 -8.517 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.967 -6.840 -9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.785 -6.652 -7.450 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.258 -5.704 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.437 -7.595 -8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.965 -8.544 -8.533 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.683 -10.128 -7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.193 -9.761 -5.438 1.00 0.00 H new ATOM 1108 N SER A 72 -11.338 -4.596 -9.414 1.00 0.00 N ATOM 1109 CA SER A 72 -12.583 -3.962 -9.891 1.00 0.00 C ATOM 1110 C SER A 72 -13.779 -4.479 -9.091 1.00 0.00 C ATOM 1111 O SER A 72 -14.926 -4.341 -9.514 1.00 0.00 O ATOM 1112 CB SER A 72 -12.839 -4.166 -11.388 1.00 0.00 C ATOM 1113 OG SER A 72 -11.797 -3.609 -12.174 1.00 0.00 O ATOM 0 H SER A 72 -11.095 -4.323 -8.462 1.00 0.00 H new ATOM 0 HA SER A 72 -12.457 -2.891 -9.736 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.927 -5.231 -11.601 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.789 -3.706 -11.662 1.00 0.00 H new ATOM 0 HG SER A 72 -11.097 -4.281 -12.313 1.00 0.00 H new ATOM 1119 N ASP A 73 -13.501 -5.075 -7.930 1.00 0.00 N ATOM 1120 CA ASP A 73 -14.544 -5.625 -7.076 1.00 0.00 C ATOM 1121 C ASP A 73 -14.055 -5.722 -5.635 1.00 0.00 C ATOM 1122 O ASP A 73 -14.521 -6.562 -4.865 1.00 0.00 O ATOM 1123 CB ASP A 73 -14.969 -7.007 -7.578 1.00 0.00 C ATOM 1124 CG ASP A 73 -16.265 -7.478 -6.945 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -16.212 -8.040 -5.832 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -17.332 -7.286 -7.565 1.00 0.00 O ATOM 0 H ASP A 73 -12.556 -5.187 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 73 -15.405 -4.957 -7.111 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -15.087 -6.977 -8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.180 -7.727 -7.363 1.00 0.00 H new ATOM 1131 N ALA A 74 -13.110 -4.858 -5.277 1.00 0.00 N ATOM 1132 CA ALA A 74 -12.550 -4.840 -3.938 1.00 0.00 C ATOM 1133 C ALA A 74 -13.622 -4.679 -2.880 1.00 0.00 C ATOM 1134 O ALA A 74 -14.724 -4.206 -3.157 1.00 0.00 O ATOM 1135 CB ALA A 74 -11.572 -3.692 -3.804 1.00 0.00 C ATOM 0 H ALA A 74 -12.716 -4.157 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.048 -5.796 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.156 -3.684 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.767 -3.813 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.089 -2.750 -3.990 1.00 0.00 H new ATOM 1141 N ARG A 75 -13.287 -5.076 -1.662 1.00 0.00 N ATOM 1142 CA ARG A 75 -14.198 -4.922 -0.545 1.00 0.00 C ATOM 1143 C ARG A 75 -14.199 -3.463 -0.088 1.00 0.00 C ATOM 1144 O ARG A 75 -15.097 -3.030 0.631 1.00 0.00 O ATOM 1145 CB ARG A 75 -13.803 -5.841 0.611 1.00 0.00 C ATOM 1146 CG ARG A 75 -12.317 -5.817 0.926 1.00 0.00 C ATOM 1147 CD ARG A 75 -11.673 -7.164 0.650 1.00 0.00 C ATOM 1148 NE ARG A 75 -10.217 -7.086 0.628 1.00 0.00 N ATOM 1149 CZ ARG A 75 -9.428 -8.132 0.399 1.00 0.00 C ATOM 1150 NH1 ARG A 75 -9.958 -9.328 0.179 1.00 0.00 N ATOM 1151 NH2 ARG A 75 -8.111 -7.982 0.388 1.00 0.00 N ATOM 0 H ARG A 75 -12.393 -5.506 -1.425 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.201 -5.201 -0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.360 -5.550 1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.098 -6.862 0.370 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.828 -5.048 0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.169 -5.548 1.972 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.985 -7.877 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.029 -7.545 -0.307 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.780 -6.180 0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.971 -9.446 0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.352 -10.130 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.701 -7.063 0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.508 -8.785 0.212 1.00 0.00 H new ATOM 1165 N GLU A 76 -13.162 -2.720 -0.512 1.00 0.00 N ATOM 1166 CA GLU A 76 -13.006 -1.303 -0.196 1.00 0.00 C ATOM 1167 C GLU A 76 -12.280 -1.117 1.123 1.00 0.00 C ATOM 1168 O GLU A 76 -12.664 -0.296 1.954 1.00 0.00 O ATOM 1169 CB GLU A 76 -14.344 -0.578 -0.174 1.00 0.00 C ATOM 1170 CG GLU A 76 -15.174 -0.830 -1.417 1.00 0.00 C ATOM 1171 CD GLU A 76 -16.603 -0.343 -1.281 1.00 0.00 C ATOM 1172 OE1 GLU A 76 -17.434 -1.089 -0.723 1.00 0.00 O ATOM 1173 OE2 GLU A 76 -16.892 0.785 -1.736 1.00 0.00 O ATOM 0 H GLU A 76 -12.408 -3.095 -1.087 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.403 -0.861 -0.989 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.908 -0.894 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.169 0.493 -0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -14.706 -0.334 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.179 -1.898 -1.634 1.00 0.00 H new ATOM 1180 N LEU A 77 -11.209 -1.878 1.277 1.00 0.00 N ATOM 1181 CA LEU A 77 -10.387 -1.866 2.487 1.00 0.00 C ATOM 1182 C LEU A 77 -11.193 -1.694 3.767 1.00 0.00 C ATOM 1183 O LEU A 77 -10.630 -1.301 4.788 1.00 0.00 O ATOM 1184 CB LEU A 77 -9.384 -0.729 2.390 1.00 0.00 C ATOM 1185 CG LEU A 77 -8.293 -0.962 1.413 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -7.511 0.297 1.207 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -7.389 -2.062 1.922 1.00 0.00 C ATOM 0 H LEU A 77 -10.879 -2.528 0.564 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.896 -2.837 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.912 0.184 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.946 -0.561 3.374 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.722 -1.264 0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.712 0.116 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.171 1.077 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.080 0.617 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.586 -2.234 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.962 -1.768 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.966 -2.978 2.048 1.00 0.00 H new ATOM 1199 N THR A 78 -12.486 -2.039 3.738 1.00 0.00 N ATOM 1200 CA THR A 78 -13.363 -1.857 4.897 1.00 0.00 C ATOM 1201 C THR A 78 -13.025 -0.568 5.648 1.00 0.00 C ATOM 1202 O THR A 78 -12.293 0.285 5.147 1.00 0.00 O ATOM 1203 CB THR A 78 -13.260 -3.042 5.876 1.00 0.00 C ATOM 1204 OG1 THR A 78 -11.981 -3.037 6.521 1.00 0.00 O ATOM 1205 CG2 THR A 78 -13.457 -4.364 5.151 1.00 0.00 C ATOM 0 H THR A 78 -12.946 -2.446 2.924 1.00 0.00 H new ATOM 0 HA THR A 78 -14.381 -1.799 4.512 1.00 0.00 H new ATOM 0 HB THR A 78 -14.046 -2.933 6.623 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.925 -3.793 7.142 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.380 -5.185 5.864 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.442 -4.380 4.685 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.691 -4.476 4.384 1.00 0.00 H new ATOM 1213 N GLU A 79 -13.617 -0.380 6.802 1.00 0.00 N ATOM 1214 CA GLU A 79 -13.298 0.764 7.609 1.00 0.00 C ATOM 1215 C GLU A 79 -11.856 0.654 8.105 1.00 0.00 C ATOM 1216 O GLU A 79 -11.070 1.599 8.033 1.00 0.00 O ATOM 1217 CB GLU A 79 -14.249 0.821 8.795 1.00 0.00 C ATOM 1218 CG GLU A 79 -14.132 2.099 9.585 1.00 0.00 C ATOM 1219 CD GLU A 79 -14.973 2.090 10.847 1.00 0.00 C ATOM 1220 OE1 GLU A 79 -14.484 1.590 11.882 1.00 0.00 O ATOM 1221 OE2 GLU A 79 -16.118 2.586 10.801 1.00 0.00 O ATOM 0 H GLU A 79 -14.319 -1.004 7.199 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.403 1.673 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.273 0.714 8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.051 -0.025 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.088 2.262 9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.435 2.937 8.958 1.00 0.00 H new ATOM 1228 N SER A 80 -11.542 -0.537 8.613 1.00 0.00 N ATOM 1229 CA SER A 80 -10.241 -0.854 9.201 1.00 0.00 C ATOM 1230 C SER A 80 -9.068 -0.982 8.224 1.00 0.00 C ATOM 1231 O SER A 80 -8.016 -0.394 8.464 1.00 0.00 O ATOM 1232 CB SER A 80 -10.351 -2.150 9.990 1.00 0.00 C ATOM 1233 OG SER A 80 -10.504 -3.254 9.119 1.00 0.00 O ATOM 0 H SER A 80 -12.194 -1.321 8.628 1.00 0.00 H new ATOM 0 HA SER A 80 -10.006 0.008 9.826 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.460 -2.285 10.603 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.201 -2.096 10.670 1.00 0.00 H new ATOM 0 HG SER A 80 -11.418 -3.601 9.189 1.00 0.00 H new ATOM 1239 N GLU A 81 -9.213 -1.737 7.132 1.00 0.00 N ATOM 1240 CA GLU A 81 -8.080 -1.966 6.233 1.00 0.00 C ATOM 1241 C GLU A 81 -7.433 -0.680 5.723 1.00 0.00 C ATOM 1242 O GLU A 81 -6.205 -0.599 5.671 1.00 0.00 O ATOM 1243 CB GLU A 81 -8.503 -2.859 5.064 1.00 0.00 C ATOM 1244 CG GLU A 81 -7.467 -3.908 4.703 1.00 0.00 C ATOM 1245 CD GLU A 81 -6.066 -3.338 4.610 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.481 -3.023 5.667 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.552 -3.209 3.480 1.00 0.00 O ATOM 0 H GLU A 81 -10.083 -2.191 6.853 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.316 -2.472 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.440 -3.356 5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.697 -2.235 4.191 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -7.483 -4.701 5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -7.734 -4.363 3.749 1.00 0.00 H new ATOM 1254 N THR A 82 -8.214 0.328 5.344 1.00 0.00 N ATOM 1255 CA THR A 82 -7.615 1.570 4.882 1.00 0.00 C ATOM 1256 C THR A 82 -6.671 2.133 5.938 1.00 0.00 C ATOM 1257 O THR A 82 -5.804 2.951 5.628 1.00 0.00 O ATOM 1258 CB THR A 82 -8.660 2.637 4.545 1.00 0.00 C ATOM 1259 OG1 THR A 82 -9.393 3.004 5.721 1.00 0.00 O ATOM 1260 CG2 THR A 82 -9.617 2.149 3.474 1.00 0.00 C ATOM 0 H THR A 82 -9.234 0.310 5.347 1.00 0.00 H new ATOM 0 HA THR A 82 -7.068 1.326 3.972 1.00 0.00 H new ATOM 0 HB THR A 82 -8.133 3.511 4.162 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.827 2.210 6.097 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.347 2.928 3.256 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.059 1.911 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.133 1.256 3.827 1.00 0.00 H new ATOM 1268 N LYS A 83 -6.837 1.697 7.190 1.00 0.00 N ATOM 1269 CA LYS A 83 -5.969 2.156 8.264 1.00 0.00 C ATOM 1270 C LYS A 83 -4.520 1.885 7.888 1.00 0.00 C ATOM 1271 O LYS A 83 -3.644 2.725 8.089 1.00 0.00 O ATOM 1272 CB LYS A 83 -6.308 1.446 9.578 1.00 0.00 C ATOM 1273 CG LYS A 83 -5.393 1.832 10.730 1.00 0.00 C ATOM 1274 CD LYS A 83 -5.762 1.102 12.012 1.00 0.00 C ATOM 1275 CE LYS A 83 -5.687 -0.407 11.840 1.00 0.00 C ATOM 1276 NZ LYS A 83 -6.009 -1.127 13.104 1.00 0.00 N ATOM 0 H LYS A 83 -7.557 1.034 7.477 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.120 3.226 8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.338 1.675 9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.251 0.368 9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.360 1.604 10.466 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.450 2.908 10.895 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.091 1.411 12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.770 1.384 12.315 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.380 -0.718 11.058 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.687 -0.685 11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.947 -2.153 12.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.332 -0.850 13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.973 -0.882 13.407 1.00 0.00 H new ATOM 1290 N SER A 84 -4.281 0.700 7.336 1.00 0.00 N ATOM 1291 CA SER A 84 -2.944 0.319 6.908 1.00 0.00 C ATOM 1292 C SER A 84 -2.393 1.344 5.938 1.00 0.00 C ATOM 1293 O SER A 84 -1.313 1.900 6.141 1.00 0.00 O ATOM 1294 CB SER A 84 -2.955 -1.055 6.244 1.00 0.00 C ATOM 1295 OG SER A 84 -1.656 -1.423 5.817 1.00 0.00 O ATOM 0 H SER A 84 -4.995 -0.010 7.176 1.00 0.00 H new ATOM 0 HA SER A 84 -2.307 0.276 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.335 -1.798 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.633 -1.045 5.391 1.00 0.00 H new ATOM 0 HG SER A 84 -1.201 -1.910 6.536 1.00 0.00 H new ATOM 1301 N LEU A 85 -3.150 1.586 4.880 1.00 0.00 N ATOM 1302 CA LEU A 85 -2.768 2.549 3.877 1.00 0.00 C ATOM 1303 C LEU A 85 -2.642 3.940 4.494 1.00 0.00 C ATOM 1304 O LEU A 85 -1.691 4.669 4.219 1.00 0.00 O ATOM 1305 CB LEU A 85 -3.807 2.521 2.761 1.00 0.00 C ATOM 1306 CG LEU A 85 -3.758 1.276 1.870 1.00 0.00 C ATOM 1307 CD1 LEU A 85 -4.547 1.500 0.593 1.00 0.00 C ATOM 1308 CD2 LEU A 85 -2.322 0.892 1.550 1.00 0.00 C ATOM 0 H LEU A 85 -4.039 1.121 4.699 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.793 2.295 3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.800 2.594 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.672 3.404 2.136 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.215 0.452 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.500 0.604 -0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.586 1.715 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.122 2.342 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.315 0.005 0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.833 1.715 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.787 0.680 2.476 1.00 0.00 H new ATOM 1320 N MET A 86 -3.593 4.287 5.352 1.00 0.00 N ATOM 1321 CA MET A 86 -3.567 5.575 6.034 1.00 0.00 C ATOM 1322 C MET A 86 -2.269 5.701 6.824 1.00 0.00 C ATOM 1323 O MET A 86 -1.521 6.667 6.677 1.00 0.00 O ATOM 1324 CB MET A 86 -4.762 5.695 6.981 1.00 0.00 C ATOM 1325 CG MET A 86 -6.102 5.708 6.268 1.00 0.00 C ATOM 1326 SD MET A 86 -6.837 7.349 6.229 1.00 0.00 S ATOM 1327 CE MET A 86 -5.440 8.308 5.657 1.00 0.00 C ATOM 0 H MET A 86 -4.390 3.697 5.592 1.00 0.00 H new ATOM 0 HA MET A 86 -3.625 6.373 5.294 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.742 4.863 7.685 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.662 6.610 7.565 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.972 5.346 5.248 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.783 5.019 6.767 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.737 9.351 5.543 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.629 8.238 6.382 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.101 7.920 4.696 1.00 0.00 H new ATOM 1337 N ASP A 87 -2.009 4.679 7.635 1.00 0.00 N ATOM 1338 CA ASP A 87 -0.812 4.594 8.475 1.00 0.00 C ATOM 1339 C ASP A 87 0.466 4.376 7.658 1.00 0.00 C ATOM 1340 O ASP A 87 1.564 4.339 8.214 1.00 0.00 O ATOM 1341 CB ASP A 87 -0.969 3.432 9.446 1.00 0.00 C ATOM 1342 CG ASP A 87 -2.227 3.544 10.285 1.00 0.00 C ATOM 1343 OD1 ASP A 87 -3.089 4.386 9.955 1.00 0.00 O ATOM 1344 OD2 ASP A 87 -2.349 2.791 11.274 1.00 0.00 O ATOM 0 H ASP A 87 -2.630 3.875 7.730 1.00 0.00 H new ATOM 0 HA ASP A 87 -0.715 5.544 9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.990 2.496 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.100 3.391 10.103 1.00 0.00 H new ATOM 1349 N ALA A 88 0.323 4.231 6.348 1.00 0.00 N ATOM 1350 CA ALA A 88 1.455 3.957 5.479 1.00 0.00 C ATOM 1351 C ALA A 88 2.384 5.157 5.274 1.00 0.00 C ATOM 1352 O ALA A 88 3.572 4.973 5.022 1.00 0.00 O ATOM 1353 CB ALA A 88 0.947 3.439 4.150 1.00 0.00 C ATOM 0 H ALA A 88 -0.572 4.299 5.863 1.00 0.00 H new ATOM 0 HA ALA A 88 2.064 3.201 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.792 3.232 3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.378 2.523 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.305 4.189 3.689 1.00 0.00 H new ATOM 1359 N ALA A 89 1.869 6.382 5.370 1.00 0.00 N ATOM 1360 CA ALA A 89 2.721 7.555 5.169 1.00 0.00 C ATOM 1361 C ALA A 89 2.157 8.815 5.827 1.00 0.00 C ATOM 1362 O ALA A 89 2.479 9.123 6.975 1.00 0.00 O ATOM 1363 CB ALA A 89 2.941 7.797 3.679 1.00 0.00 C ATOM 0 H ALA A 89 0.892 6.587 5.580 1.00 0.00 H new ATOM 0 HA ALA A 89 3.674 7.341 5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.576 8.672 3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.424 6.926 3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.981 7.966 3.192 1.00 0.00 H new ATOM 1369 N ASP A 90 1.317 9.539 5.093 1.00 0.00 N ATOM 1370 CA ASP A 90 0.729 10.768 5.608 1.00 0.00 C ATOM 1371 C ASP A 90 -0.549 10.441 6.367 1.00 0.00 C ATOM 1372 O ASP A 90 -1.650 10.658 5.872 1.00 0.00 O ATOM 1373 CB ASP A 90 0.450 11.753 4.477 1.00 0.00 C ATOM 1374 CG ASP A 90 0.745 13.182 4.886 1.00 0.00 C ATOM 1375 OD1 ASP A 90 0.026 13.709 5.759 1.00 0.00 O ATOM 1376 OD2 ASP A 90 1.699 13.772 4.337 1.00 0.00 O ATOM 0 H ASP A 90 1.030 9.296 4.145 1.00 0.00 H new ATOM 0 HA ASP A 90 1.437 11.240 6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.056 11.491 3.610 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.593 11.671 4.173 1.00 0.00 H new ATOM 1381 N ASN A 91 -0.382 9.915 7.569 1.00 0.00 N ATOM 1382 CA ASN A 91 -1.517 9.508 8.399 1.00 0.00 C ATOM 1383 C ASN A 91 -1.908 10.576 9.414 1.00 0.00 C ATOM 1384 O ASN A 91 -3.076 10.954 9.515 1.00 0.00 O ATOM 1385 CB ASN A 91 -1.227 8.184 9.135 1.00 0.00 C ATOM 1386 CG ASN A 91 0.241 7.792 9.127 1.00 0.00 C ATOM 1387 OD1 ASN A 91 0.661 7.073 8.091 1.00 0.00 O flip ATOM 1388 ND2 ASN A 91 0.991 8.136 10.041 1.00 0.00 N flip ATOM 0 H ASN A 91 0.530 9.757 7.998 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.355 9.366 7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -1.566 8.270 10.167 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -1.810 7.387 8.674 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.628 8.688 10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.975 7.869 10.021 1.00 0.00 H new ATOM 1395 N ASP A 92 -0.925 11.057 10.162 1.00 0.00 N ATOM 1396 CA ASP A 92 -1.164 12.038 11.208 1.00 0.00 C ATOM 1397 C ASP A 92 -1.493 13.437 10.687 1.00 0.00 C ATOM 1398 O ASP A 92 -1.817 14.318 11.483 1.00 0.00 O ATOM 1399 CB ASP A 92 0.058 12.109 12.119 1.00 0.00 C ATOM 1400 CG ASP A 92 0.359 10.782 12.790 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -0.197 10.529 13.880 1.00 0.00 O ATOM 1402 OD2 ASP A 92 1.150 9.998 12.226 1.00 0.00 O ATOM 0 H ASP A 92 0.052 10.781 10.062 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.046 11.701 11.753 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.924 12.423 11.536 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.105 12.870 12.882 1.00 0.00 H new ATOM 1407 N GLY A 93 -1.419 13.675 9.378 1.00 0.00 N ATOM 1408 CA GLY A 93 -1.723 15.010 8.891 1.00 0.00 C ATOM 1409 C GLY A 93 -2.630 15.060 7.670 1.00 0.00 C ATOM 1410 O GLY A 93 -3.848 15.175 7.796 1.00 0.00 O ATOM 0 H GLY A 93 -1.162 12.991 8.666 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.192 15.576 9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.787 15.514 8.650 1.00 0.00 H new ATOM 1414 N ASP A 94 -2.029 14.968 6.486 1.00 0.00 N ATOM 1415 CA ASP A 94 -2.772 15.061 5.228 1.00 0.00 C ATOM 1416 C ASP A 94 -3.568 13.796 4.901 1.00 0.00 C ATOM 1417 O ASP A 94 -4.303 13.761 3.914 1.00 0.00 O ATOM 1418 CB ASP A 94 -1.817 15.384 4.081 1.00 0.00 C ATOM 1419 CG ASP A 94 -1.227 16.776 4.192 1.00 0.00 C ATOM 1420 OD1 ASP A 94 -1.881 17.737 3.733 1.00 0.00 O ATOM 1421 OD2 ASP A 94 -0.111 16.907 4.737 1.00 0.00 O ATOM 0 H ASP A 94 -1.025 14.829 6.370 1.00 0.00 H new ATOM 0 HA ASP A 94 -3.497 15.865 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.010 14.651 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -2.348 15.292 3.133 1.00 0.00 H new ATOM 1426 N GLY A 95 -3.425 12.762 5.721 1.00 0.00 N ATOM 1427 CA GLY A 95 -4.151 11.522 5.487 1.00 0.00 C ATOM 1428 C GLY A 95 -4.017 10.987 4.067 1.00 0.00 C ATOM 1429 O GLY A 95 -4.846 10.193 3.625 1.00 0.00 O ATOM 0 H GLY A 95 -2.821 12.757 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.793 10.765 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.207 11.684 5.706 1.00 0.00 H new ATOM 1433 N LYS A 96 -2.985 11.415 3.341 1.00 0.00 N ATOM 1434 CA LYS A 96 -2.781 10.949 1.969 1.00 0.00 C ATOM 1435 C LYS A 96 -1.576 10.004 1.870 1.00 0.00 C ATOM 1436 O LYS A 96 -0.693 10.019 2.728 1.00 0.00 O ATOM 1437 CB LYS A 96 -2.635 12.163 1.010 1.00 0.00 C ATOM 1438 CG LYS A 96 -1.356 12.210 0.163 1.00 0.00 C ATOM 1439 CD LYS A 96 -0.111 12.513 0.989 1.00 0.00 C ATOM 1440 CE LYS A 96 -0.336 13.679 1.939 1.00 0.00 C ATOM 1441 NZ LYS A 96 -0.770 14.904 1.214 1.00 0.00 N ATOM 0 H LYS A 96 -2.284 12.076 3.675 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.657 10.376 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.492 12.172 0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.686 13.076 1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.226 11.254 -0.344 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -1.466 12.969 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.171 11.628 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.721 12.742 0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.090 13.407 2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.584 13.886 2.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.484 15.746 1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.326 14.927 0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.805 14.896 1.108 1.00 0.00 H new ATOM 1455 N ILE A 97 -1.548 9.191 0.810 1.00 0.00 N ATOM 1456 CA ILE A 97 -0.443 8.269 0.582 1.00 0.00 C ATOM 1457 C ILE A 97 0.020 8.302 -0.871 1.00 0.00 C ATOM 1458 O ILE A 97 -0.579 7.675 -1.737 1.00 0.00 O ATOM 1459 CB ILE A 97 -0.822 6.821 0.897 1.00 0.00 C ATOM 1460 CG1 ILE A 97 -1.512 6.713 2.247 1.00 0.00 C ATOM 1461 CG2 ILE A 97 0.420 5.951 0.870 1.00 0.00 C ATOM 1462 CD1 ILE A 97 -0.605 6.987 3.426 1.00 0.00 C ATOM 0 H ILE A 97 -2.279 9.156 0.100 1.00 0.00 H new ATOM 0 HA ILE A 97 0.352 8.600 1.250 1.00 0.00 H new ATOM 0 HB ILE A 97 -1.523 6.476 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.347 7.413 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -1.932 5.712 2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.147 4.920 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.876 5.998 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.131 6.309 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.172 6.890 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.217 6.271 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.205 7.998 3.350 1.00 0.00 H new ATOM 1474 N GLY A 98 1.100 9.014 -1.121 1.00 0.00 N ATOM 1475 CA GLY A 98 1.669 9.109 -2.450 1.00 0.00 C ATOM 1476 C GLY A 98 3.036 8.470 -2.504 1.00 0.00 C ATOM 1477 O GLY A 98 3.581 8.101 -1.472 1.00 0.00 O ATOM 0 H GLY A 98 1.607 9.542 -0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.008 8.622 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.742 10.156 -2.744 1.00 0.00 H new ATOM 1481 N ALA A 99 3.593 8.316 -3.694 1.00 0.00 N ATOM 1482 CA ALA A 99 4.906 7.695 -3.819 1.00 0.00 C ATOM 1483 C ALA A 99 5.916 8.376 -2.890 1.00 0.00 C ATOM 1484 O ALA A 99 6.635 7.712 -2.146 1.00 0.00 O ATOM 1485 CB ALA A 99 5.383 7.761 -5.260 1.00 0.00 C ATOM 0 H ALA A 99 3.168 8.606 -4.575 1.00 0.00 H new ATOM 0 HA ALA A 99 4.823 6.649 -3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.365 7.294 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.677 7.234 -5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.450 8.803 -5.574 1.00 0.00 H new ATOM 1491 N ASP A 100 5.939 9.708 -2.927 1.00 0.00 N ATOM 1492 CA ASP A 100 6.842 10.495 -2.084 1.00 0.00 C ATOM 1493 C ASP A 100 6.583 10.228 -0.602 1.00 0.00 C ATOM 1494 O ASP A 100 7.499 9.897 0.150 1.00 0.00 O ATOM 1495 CB ASP A 100 6.677 11.987 -2.377 1.00 0.00 C ATOM 1496 CG ASP A 100 7.670 12.841 -1.615 1.00 0.00 C ATOM 1497 OD1 ASP A 100 8.811 13.001 -2.099 1.00 0.00 O ATOM 1498 OD2 ASP A 100 7.308 13.350 -0.533 1.00 0.00 O ATOM 0 H ASP A 100 5.340 10.268 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 100 7.864 10.194 -2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.799 12.160 -3.446 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.664 12.295 -2.118 1.00 0.00 H new ATOM 1503 N GLU A 101 5.327 10.376 -0.196 1.00 0.00 N ATOM 1504 CA GLU A 101 4.931 10.135 1.188 1.00 0.00 C ATOM 1505 C GLU A 101 5.241 8.692 1.543 1.00 0.00 C ATOM 1506 O GLU A 101 5.815 8.397 2.585 1.00 0.00 O ATOM 1507 CB GLU A 101 3.431 10.427 1.355 1.00 0.00 C ATOM 1508 CG GLU A 101 3.096 11.764 2.011 1.00 0.00 C ATOM 1509 CD GLU A 101 4.182 12.817 1.869 1.00 0.00 C ATOM 1510 OE1 GLU A 101 4.253 13.453 0.797 1.00 0.00 O ATOM 1511 OE2 GLU A 101 4.957 13.005 2.829 1.00 0.00 O ATOM 0 H GLU A 101 4.563 10.663 -0.807 1.00 0.00 H new ATOM 0 HA GLU A 101 5.484 10.793 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.960 10.395 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.986 9.628 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.174 12.149 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.903 11.598 3.071 1.00 0.00 H new ATOM 1518 N PHE A 102 4.853 7.797 0.652 1.00 0.00 N ATOM 1519 CA PHE A 102 5.114 6.382 0.821 1.00 0.00 C ATOM 1520 C PHE A 102 6.608 6.165 1.056 1.00 0.00 C ATOM 1521 O PHE A 102 7.005 5.418 1.951 1.00 0.00 O ATOM 1522 CB PHE A 102 4.629 5.625 -0.420 1.00 0.00 C ATOM 1523 CG PHE A 102 4.661 4.132 -0.281 1.00 0.00 C ATOM 1524 CD1 PHE A 102 5.856 3.467 -0.082 1.00 0.00 C ATOM 1525 CD2 PHE A 102 3.492 3.393 -0.363 1.00 0.00 C ATOM 1526 CE1 PHE A 102 5.889 2.095 0.034 1.00 0.00 C ATOM 1527 CE2 PHE A 102 3.517 2.017 -0.245 1.00 0.00 C ATOM 1528 CZ PHE A 102 4.719 1.366 -0.047 1.00 0.00 C ATOM 0 H PHE A 102 4.351 8.031 -0.204 1.00 0.00 H new ATOM 0 HA PHE A 102 4.574 6.000 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.609 5.936 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 102 5.246 5.913 -1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.775 4.030 -0.017 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.551 3.898 -0.521 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.831 1.589 0.188 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.599 1.452 -0.307 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.744 0.290 0.044 1.00 0.00 H new ATOM 1538 N GLN A 103 7.438 6.825 0.242 1.00 0.00 N ATOM 1539 CA GLN A 103 8.890 6.721 0.385 1.00 0.00 C ATOM 1540 C GLN A 103 9.307 7.096 1.800 1.00 0.00 C ATOM 1541 O GLN A 103 10.278 6.563 2.339 1.00 0.00 O ATOM 1542 CB GLN A 103 9.613 7.645 -0.603 1.00 0.00 C ATOM 1543 CG GLN A 103 9.402 7.301 -2.061 1.00 0.00 C ATOM 1544 CD GLN A 103 10.693 7.315 -2.853 1.00 0.00 C ATOM 1545 OE1 GLN A 103 10.740 6.524 -3.916 1.00 0.00 O flip ATOM 1546 NE2 GLN A 103 11.631 8.040 -2.521 1.00 0.00 N flip ATOM 0 H GLN A 103 7.130 7.433 -0.517 1.00 0.00 H new ATOM 0 HA GLN A 103 9.168 5.688 0.174 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.279 8.669 -0.433 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.681 7.619 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.944 6.315 -2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.702 8.011 -2.501 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.550 8.633 -1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 103 12.489 8.048 -3.072 1.00 0.00 H new ATOM 1555 N GLU A 104 8.560 8.022 2.399 1.00 0.00 N ATOM 1556 CA GLU A 104 8.859 8.480 3.748 1.00 0.00 C ATOM 1557 C GLU A 104 8.750 7.318 4.729 1.00 0.00 C ATOM 1558 O GLU A 104 9.504 7.226 5.697 1.00 0.00 O ATOM 1559 CB GLU A 104 7.945 9.657 4.118 1.00 0.00 C ATOM 1560 CG GLU A 104 6.703 9.290 4.900 1.00 0.00 C ATOM 1561 CD GLU A 104 6.864 9.496 6.393 1.00 0.00 C ATOM 1562 OE1 GLU A 104 7.353 8.568 7.070 1.00 0.00 O ATOM 1563 OE2 GLU A 104 6.501 10.585 6.885 1.00 0.00 O ATOM 0 H GLU A 104 7.748 8.466 1.971 1.00 0.00 H new ATOM 0 HA GLU A 104 9.885 8.845 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.522 10.375 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.641 10.162 3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.865 9.889 4.544 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.453 8.247 4.707 1.00 0.00 H new ATOM 1570 N MET A 105 7.796 6.439 4.461 1.00 0.00 N ATOM 1571 CA MET A 105 7.580 5.258 5.290 1.00 0.00 C ATOM 1572 C MET A 105 8.808 4.353 5.297 1.00 0.00 C ATOM 1573 O MET A 105 9.396 4.097 6.346 1.00 0.00 O ATOM 1574 CB MET A 105 6.380 4.474 4.800 1.00 0.00 C ATOM 1575 CG MET A 105 5.738 3.665 5.909 1.00 0.00 C ATOM 1576 SD MET A 105 6.767 2.286 6.451 1.00 0.00 S ATOM 1577 CE MET A 105 5.784 1.644 7.804 1.00 0.00 C ATOM 0 H MET A 105 7.155 6.520 3.672 1.00 0.00 H new ATOM 0 HA MET A 105 7.396 5.604 6.307 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.645 5.161 4.381 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.688 3.806 3.995 1.00 0.00 H new ATOM 0 HG2 MET A 105 5.535 4.317 6.758 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.777 3.282 5.565 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.289 0.784 8.245 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.658 2.418 8.561 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.807 1.339 7.431 1.00 0.00 H new ATOM 1587 N VAL A 106 9.187 3.867 4.116 1.00 0.00 N ATOM 1588 CA VAL A 106 10.336 2.982 3.983 1.00 0.00 C ATOM 1589 C VAL A 106 11.628 3.667 4.415 1.00 0.00 C ATOM 1590 O VAL A 106 12.558 3.015 4.889 1.00 0.00 O ATOM 1591 CB VAL A 106 10.497 2.484 2.536 1.00 0.00 C ATOM 1592 CG1 VAL A 106 10.699 3.650 1.590 1.00 0.00 C ATOM 1593 CG2 VAL A 106 11.650 1.494 2.433 1.00 0.00 C ATOM 0 H VAL A 106 8.712 4.074 3.237 1.00 0.00 H new ATOM 0 HA VAL A 106 10.147 2.132 4.639 1.00 0.00 H new ATOM 0 HB VAL A 106 9.582 1.968 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.811 3.277 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.836 4.313 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 106 11.596 4.199 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 106 11.747 1.154 1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.575 1.979 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 106 11.454 0.639 3.080 1.00 0.00 H new ATOM 1603 N HIS A 107 11.680 4.983 4.247 1.00 0.00 N ATOM 1604 CA HIS A 107 12.863 5.752 4.605 1.00 0.00 C ATOM 1605 C HIS A 107 12.880 6.069 6.096 1.00 0.00 C ATOM 1606 O HIS A 107 13.940 6.280 6.683 1.00 0.00 O ATOM 1607 CB HIS A 107 12.914 7.044 3.791 1.00 0.00 C ATOM 1608 CG HIS A 107 14.226 7.758 3.886 1.00 0.00 C ATOM 1609 ND1 HIS A 107 14.421 8.875 4.670 1.00 0.00 N ATOM 1610 CD2 HIS A 107 15.416 7.506 3.289 1.00 0.00 C ATOM 1611 CE1 HIS A 107 15.672 9.280 4.551 1.00 0.00 C ATOM 1612 NE2 HIS A 107 16.296 8.467 3.720 1.00 0.00 N ATOM 0 H HIS A 107 10.915 5.539 3.865 1.00 0.00 H new ATOM 0 HA HIS A 107 13.743 5.150 4.377 1.00 0.00 H new ATOM 0 HB2 HIS A 107 12.710 6.814 2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 107 12.121 7.710 4.132 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.632 6.700 2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.110 10.132 5.049 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.275 8.541 3.443 1.00 0.00 H new ATOM 1621 N SER A 108 11.697 6.101 6.701 1.00 0.00 N ATOM 1622 CA SER A 108 11.576 6.395 8.124 1.00 0.00 C ATOM 1623 C SER A 108 12.430 5.441 8.953 1.00 0.00 C ATOM 1624 O SER A 108 13.615 5.759 9.184 1.00 0.00 O ATOM 1625 CB SER A 108 10.114 6.299 8.560 1.00 0.00 C ATOM 1626 OG SER A 108 9.976 6.547 9.949 1.00 0.00 O ATOM 1627 OXT SER A 108 11.906 4.385 9.366 1.00 0.00 O ATOM 0 H SER A 108 10.810 5.927 6.229 1.00 0.00 H new ATOM 0 HA SER A 108 11.934 7.411 8.292 1.00 0.00 H new ATOM 0 HB2 SER A 108 9.516 7.017 7.999 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.726 5.308 8.324 1.00 0.00 H new ATOM 0 HG SER A 108 9.031 6.481 10.201 1.00 0.00 H new TER 1633 SER A 108