USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 279 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 NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 99 HIS HE2 : A 99 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 71 SER OG : rot -44:sc= 1.14 USER MOD Single : A 72 SER OG : rot 68:sc= 0.0161 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.657 K(o=-0.66,f=-1.9) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0531 USER MOD Single : A 88 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.9!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.659 USER MOD Single : A 93 THR OG1 : rot 71:sc= 0.141 USER MOD Single : A 100 THR OG1 : rot 92:sc= 0.308 USER MOD Single : A 102 SER OG : rot -55:sc= 1.1 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 67 -14.808 -23.403 2.997 1.00 0.00 N ATOM 2 CA GLY A 67 -13.713 -23.413 2.045 1.00 0.00 C ATOM 3 C GLY A 67 -13.982 -22.529 0.843 1.00 0.00 C ATOM 4 O GLY A 67 -13.495 -22.797 -0.255 1.00 0.00 O ATOM 0 HA2 GLY A 67 -12.801 -23.079 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.537 -24.435 1.709 1.00 0.00 H new ATOM 8 N SER A 68 -14.762 -21.473 1.050 1.00 0.00 N ATOM 9 CA SER A 68 -15.100 -20.549 -0.027 1.00 0.00 C ATOM 10 C SER A 68 -14.700 -19.122 0.336 1.00 0.00 C ATOM 11 O SER A 68 -15.462 -18.394 0.972 1.00 0.00 O ATOM 12 CB SER A 68 -16.598 -20.610 -0.328 1.00 0.00 C ATOM 13 OG SER A 68 -16.926 -21.784 -1.051 1.00 0.00 O ATOM 0 H SER A 68 -15.172 -21.236 1.953 1.00 0.00 H new ATOM 0 HA SER A 68 -14.546 -20.848 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.161 -20.585 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.893 -19.731 -0.902 1.00 0.00 H new ATOM 0 HG SER A 68 -17.890 -21.800 -1.229 1.00 0.00 H new ATOM 19 N SER A 69 -13.498 -18.729 -0.074 1.00 0.00 N ATOM 20 CA SER A 69 -12.993 -17.391 0.211 1.00 0.00 C ATOM 21 C SER A 69 -13.963 -16.326 -0.293 1.00 0.00 C ATOM 22 O SER A 69 -14.855 -16.611 -1.091 1.00 0.00 O ATOM 23 CB SER A 69 -11.620 -17.192 -0.435 1.00 0.00 C ATOM 24 OG SER A 69 -11.558 -17.821 -1.703 1.00 0.00 O ATOM 0 H SER A 69 -12.856 -19.318 -0.604 1.00 0.00 H new ATOM 0 HA SER A 69 -12.896 -17.289 1.292 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.416 -16.127 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.846 -17.600 0.215 1.00 0.00 H new ATOM 0 HG SER A 69 -10.672 -17.678 -2.096 1.00 0.00 H new ATOM 30 N GLY A 70 -13.782 -15.097 0.181 1.00 0.00 N ATOM 31 CA GLY A 70 -14.647 -14.008 -0.231 1.00 0.00 C ATOM 32 C GLY A 70 -15.700 -13.678 0.809 1.00 0.00 C ATOM 33 O GLY A 70 -15.441 -13.756 2.010 1.00 0.00 O ATOM 0 H GLY A 70 -13.051 -14.837 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -14.043 -13.122 -0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -15.137 -14.272 -1.168 1.00 0.00 H new ATOM 37 N SER A 71 -16.890 -13.307 0.348 1.00 0.00 N ATOM 38 CA SER A 71 -17.983 -12.958 1.248 1.00 0.00 C ATOM 39 C SER A 71 -17.545 -11.895 2.250 1.00 0.00 C ATOM 40 O SER A 71 -18.044 -11.842 3.374 1.00 0.00 O ATOM 41 CB SER A 71 -18.477 -14.202 1.990 1.00 0.00 C ATOM 42 OG SER A 71 -17.701 -14.445 3.150 1.00 0.00 O ATOM 0 H SER A 71 -17.122 -13.240 -0.643 1.00 0.00 H new ATOM 0 HA SER A 71 -18.798 -12.552 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 71 -19.523 -14.072 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.429 -15.067 1.329 1.00 0.00 H new ATOM 0 HG SER A 71 -16.751 -14.325 2.939 1.00 0.00 H new ATOM 48 N SER A 72 -16.607 -11.050 1.833 1.00 0.00 N ATOM 49 CA SER A 72 -16.097 -9.989 2.695 1.00 0.00 C ATOM 50 C SER A 72 -16.288 -8.622 2.045 1.00 0.00 C ATOM 51 O SER A 72 -15.456 -8.176 1.256 1.00 0.00 O ATOM 52 CB SER A 72 -14.615 -10.219 2.999 1.00 0.00 C ATOM 53 OG SER A 72 -14.443 -11.276 3.928 1.00 0.00 O ATOM 0 H SER A 72 -16.185 -11.079 0.905 1.00 0.00 H new ATOM 0 HA SER A 72 -16.660 -10.010 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.083 -10.451 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.176 -9.305 3.398 1.00 0.00 H new ATOM 0 HG SER A 72 -14.704 -12.124 3.511 1.00 0.00 H new ATOM 59 N GLY A 73 -17.392 -7.963 2.382 1.00 0.00 N ATOM 60 CA GLY A 73 -17.674 -6.654 1.823 1.00 0.00 C ATOM 61 C GLY A 73 -17.343 -5.529 2.785 1.00 0.00 C ATOM 62 O GLY A 73 -18.221 -4.759 3.174 1.00 0.00 O ATOM 0 H GLY A 73 -18.096 -8.312 3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.101 -6.523 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.728 -6.598 1.552 1.00 0.00 H new ATOM 66 N GLN A 74 -16.074 -5.436 3.169 1.00 0.00 N ATOM 67 CA GLN A 74 -15.631 -4.398 4.093 1.00 0.00 C ATOM 68 C GLN A 74 -14.391 -3.689 3.560 1.00 0.00 C ATOM 69 O GLN A 74 -13.912 -3.991 2.467 1.00 0.00 O ATOM 70 CB GLN A 74 -15.337 -5.002 5.467 1.00 0.00 C ATOM 71 CG GLN A 74 -14.458 -6.241 5.412 1.00 0.00 C ATOM 72 CD GLN A 74 -13.823 -6.567 6.750 1.00 0.00 C ATOM 73 OE1 GLN A 74 -14.267 -7.472 7.457 1.00 0.00 O ATOM 74 NE2 GLN A 74 -12.778 -5.828 7.105 1.00 0.00 N ATOM 0 H GLN A 74 -15.335 -6.066 2.855 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.432 -3.666 4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -14.852 -4.250 6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -16.279 -5.257 5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -15.055 -7.091 5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.674 -6.093 4.669 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.443 -5.088 6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -12.310 -6.001 7.995 1.00 0.00 H new ATOM 83 N ARG A 75 -13.875 -2.743 4.339 1.00 0.00 N ATOM 84 CA ARG A 75 -12.692 -1.989 3.944 1.00 0.00 C ATOM 85 C ARG A 75 -11.514 -2.306 4.862 1.00 0.00 C ATOM 86 O ARG A 75 -11.678 -2.446 6.074 1.00 0.00 O ATOM 87 CB ARG A 75 -12.985 -0.488 3.972 1.00 0.00 C ATOM 88 CG ARG A 75 -13.530 0.051 2.660 1.00 0.00 C ATOM 89 CD ARG A 75 -12.424 0.238 1.632 1.00 0.00 C ATOM 90 NE ARG A 75 -11.535 1.343 1.980 1.00 0.00 N ATOM 91 CZ ARG A 75 -10.510 1.726 1.227 1.00 0.00 C ATOM 92 NH1 ARG A 75 -10.247 1.097 0.090 1.00 0.00 N ATOM 93 NH2 ARG A 75 -9.746 2.740 1.610 1.00 0.00 N ATOM 0 H ARG A 75 -14.258 -2.481 5.247 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.428 -2.281 2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.703 -0.281 4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.069 0.048 4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.281 -0.635 2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.029 1.004 2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.845 -0.682 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.866 0.423 0.653 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.711 1.848 2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.832 0.317 -0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.459 1.393 -0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.945 3.227 2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.959 3.033 1.031 1.00 0.00 H new ATOM 107 N VAL A 76 -10.327 -2.418 4.275 1.00 0.00 N ATOM 108 CA VAL A 76 -9.122 -2.717 5.039 1.00 0.00 C ATOM 109 C VAL A 76 -8.056 -1.648 4.825 1.00 0.00 C ATOM 110 O VAL A 76 -7.959 -1.060 3.748 1.00 0.00 O ATOM 111 CB VAL A 76 -8.540 -4.091 4.654 1.00 0.00 C ATOM 112 CG1 VAL A 76 -9.555 -5.193 4.915 1.00 0.00 C ATOM 113 CG2 VAL A 76 -8.101 -4.094 3.197 1.00 0.00 C ATOM 0 H VAL A 76 -10.174 -2.306 3.273 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.410 -2.734 6.090 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.664 -4.282 5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.126 -6.156 4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.816 -5.204 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.451 -5.010 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.693 -5.072 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.958 -3.881 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.337 -3.331 3.046 1.00 0.00 H new ATOM 123 N TYR A 77 -7.257 -1.403 5.858 1.00 0.00 N ATOM 124 CA TYR A 77 -6.199 -0.403 5.785 1.00 0.00 C ATOM 125 C TYR A 77 -5.034 -0.904 4.936 1.00 0.00 C ATOM 126 O TYR A 77 -3.999 -1.310 5.463 1.00 0.00 O ATOM 127 CB TYR A 77 -5.706 -0.048 7.189 1.00 0.00 C ATOM 128 CG TYR A 77 -6.507 1.050 7.852 1.00 0.00 C ATOM 129 CD1 TYR A 77 -7.896 1.044 7.814 1.00 0.00 C ATOM 130 CD2 TYR A 77 -5.874 2.093 8.517 1.00 0.00 C ATOM 131 CE1 TYR A 77 -8.631 2.046 8.418 1.00 0.00 C ATOM 132 CE2 TYR A 77 -6.602 3.098 9.125 1.00 0.00 C ATOM 133 CZ TYR A 77 -7.980 3.070 9.072 1.00 0.00 C ATOM 134 OH TYR A 77 -8.709 4.069 9.676 1.00 0.00 O ATOM 0 H TYR A 77 -7.322 -1.883 6.755 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.610 0.490 5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.742 -0.940 7.814 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.662 0.259 7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.410 0.243 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.795 2.119 8.559 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.710 2.027 8.378 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.095 3.901 9.639 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.099 4.712 10.093 1.00 0.00 H new ATOM 144 N GLU A 78 -5.212 -0.870 3.619 1.00 0.00 N ATOM 145 CA GLU A 78 -4.176 -1.321 2.697 1.00 0.00 C ATOM 146 C GLU A 78 -3.266 -0.164 2.295 1.00 0.00 C ATOM 147 O GLU A 78 -3.719 0.968 2.124 1.00 0.00 O ATOM 148 CB GLU A 78 -4.808 -1.944 1.451 1.00 0.00 C ATOM 149 CG GLU A 78 -3.894 -2.921 0.729 1.00 0.00 C ATOM 150 CD GLU A 78 -4.546 -3.533 -0.495 1.00 0.00 C ATOM 151 OE1 GLU A 78 -4.997 -2.768 -1.373 1.00 0.00 O ATOM 152 OE2 GLU A 78 -4.604 -4.778 -0.575 1.00 0.00 O ATOM 0 H GLU A 78 -6.063 -0.535 3.167 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.574 -2.074 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.724 -2.460 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.093 -1.149 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.981 -2.406 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.602 -3.715 1.416 1.00 0.00 H new ATOM 159 N CYS A 79 -1.978 -0.457 2.145 1.00 0.00 N ATOM 160 CA CYS A 79 -1.002 0.556 1.764 1.00 0.00 C ATOM 161 C CYS A 79 -1.151 0.929 0.292 1.00 0.00 C ATOM 162 O CYS A 79 -1.082 0.069 -0.586 1.00 0.00 O ATOM 163 CB CYS A 79 0.418 0.054 2.033 1.00 0.00 C ATOM 164 SG CYS A 79 1.675 1.371 2.089 1.00 0.00 S ATOM 0 H CYS A 79 -1.586 -1.389 2.282 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.186 1.446 2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.428 -0.484 2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 79 0.692 -0.662 1.258 1.00 0.00 H new ATOM 169 N GLN A 80 -1.356 2.216 0.031 1.00 0.00 N ATOM 170 CA GLN A 80 -1.515 2.702 -1.335 1.00 0.00 C ATOM 171 C GLN A 80 -0.189 3.212 -1.889 1.00 0.00 C ATOM 172 O GLN A 80 -0.164 4.033 -2.806 1.00 0.00 O ATOM 173 CB GLN A 80 -2.564 3.814 -1.384 1.00 0.00 C ATOM 174 CG GLN A 80 -3.987 3.303 -1.541 1.00 0.00 C ATOM 175 CD GLN A 80 -4.390 2.349 -0.433 1.00 0.00 C ATOM 176 OE1 GLN A 80 -4.160 1.143 -0.523 1.00 0.00 O ATOM 177 NE2 GLN A 80 -4.994 2.886 0.620 1.00 0.00 N ATOM 0 H GLN A 80 -1.416 2.940 0.747 1.00 0.00 H new ATOM 0 HA GLN A 80 -1.850 1.869 -1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -2.498 4.405 -0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -2.334 4.483 -2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.674 4.149 -1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.084 2.799 -2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.165 3.891 0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.287 2.294 1.397 1.00 0.00 H new ATOM 186 N GLU A 81 0.910 2.721 -1.327 1.00 0.00 N ATOM 187 CA GLU A 81 2.240 3.129 -1.765 1.00 0.00 C ATOM 188 C GLU A 81 2.993 1.955 -2.384 1.00 0.00 C ATOM 189 O GLU A 81 3.523 2.057 -3.490 1.00 0.00 O ATOM 190 CB GLU A 81 3.037 3.697 -0.589 1.00 0.00 C ATOM 191 CG GLU A 81 3.466 5.141 -0.786 1.00 0.00 C ATOM 192 CD GLU A 81 2.300 6.058 -1.103 1.00 0.00 C ATOM 193 OE1 GLU A 81 1.364 6.135 -0.280 1.00 0.00 O ATOM 194 OE2 GLU A 81 2.325 6.698 -2.175 1.00 0.00 O ATOM 0 H GLU A 81 0.906 2.040 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 81 2.123 3.904 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.434 3.626 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.923 3.082 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.966 5.494 0.116 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.194 5.193 -1.595 1.00 0.00 H new ATOM 201 N CYS A 82 3.036 0.840 -1.662 1.00 0.00 N ATOM 202 CA CYS A 82 3.724 -0.354 -2.137 1.00 0.00 C ATOM 203 C CYS A 82 2.744 -1.509 -2.322 1.00 0.00 C ATOM 204 O CYS A 82 2.965 -2.398 -3.143 1.00 0.00 O ATOM 205 CB CYS A 82 4.826 -0.758 -1.156 1.00 0.00 C ATOM 206 SG CYS A 82 4.217 -1.212 0.500 1.00 0.00 S ATOM 0 H CYS A 82 2.602 0.739 -0.745 1.00 0.00 H new ATOM 0 HA CYS A 82 4.174 -0.124 -3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 82 5.377 -1.601 -1.572 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.531 0.067 -1.058 1.00 0.00 H new ATOM 211 N GLY A 83 1.661 -1.488 -1.552 1.00 0.00 N ATOM 212 CA GLY A 83 0.663 -2.538 -1.646 1.00 0.00 C ATOM 213 C GLY A 83 0.832 -3.596 -0.573 1.00 0.00 C ATOM 214 O GLY A 83 1.484 -4.617 -0.794 1.00 0.00 O ATOM 0 H GLY A 83 1.456 -0.763 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.331 -2.098 -1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.725 -3.007 -2.628 1.00 0.00 H new ATOM 218 N LYS A 84 0.245 -3.352 0.593 1.00 0.00 N ATOM 219 CA LYS A 84 0.334 -4.291 1.706 1.00 0.00 C ATOM 220 C LYS A 84 -0.870 -4.152 2.632 1.00 0.00 C ATOM 221 O LYS A 84 -1.178 -3.058 3.105 1.00 0.00 O ATOM 222 CB LYS A 84 1.625 -4.060 2.493 1.00 0.00 C ATOM 223 CG LYS A 84 2.832 -4.770 1.904 1.00 0.00 C ATOM 224 CD LYS A 84 3.992 -4.806 2.885 1.00 0.00 C ATOM 225 CE LYS A 84 4.856 -6.041 2.681 1.00 0.00 C ATOM 226 NZ LYS A 84 5.730 -5.914 1.481 1.00 0.00 N ATOM 0 H LYS A 84 -0.298 -2.512 0.793 1.00 0.00 H new ATOM 0 HA LYS A 84 0.341 -5.301 1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.828 -2.990 2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.480 -4.398 3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.557 -5.788 1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.143 -4.264 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.601 -3.910 2.763 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.608 -4.794 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.473 -6.202 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.217 -6.918 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.303 -6.775 1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.140 -5.785 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.358 -5.092 1.594 1.00 0.00 H new ATOM 240 N SER A 85 -1.547 -5.268 2.887 1.00 0.00 N ATOM 241 CA SER A 85 -2.718 -5.270 3.755 1.00 0.00 C ATOM 242 C SER A 85 -2.321 -5.540 5.203 1.00 0.00 C ATOM 243 O SER A 85 -1.305 -6.181 5.471 1.00 0.00 O ATOM 244 CB SER A 85 -3.725 -6.321 3.285 1.00 0.00 C ATOM 245 OG SER A 85 -3.066 -7.448 2.734 1.00 0.00 O ATOM 0 H SER A 85 -1.304 -6.182 2.504 1.00 0.00 H new ATOM 0 HA SER A 85 -3.181 -4.285 3.702 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.347 -6.634 4.124 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.390 -5.884 2.540 1.00 0.00 H new ATOM 0 HG SER A 85 -3.731 -8.106 2.443 1.00 0.00 H new ATOM 251 N PHE A 86 -3.131 -5.047 6.134 1.00 0.00 N ATOM 252 CA PHE A 86 -2.865 -5.234 7.556 1.00 0.00 C ATOM 253 C PHE A 86 -4.127 -5.675 8.291 1.00 0.00 C ATOM 254 O PHE A 86 -5.184 -5.848 7.684 1.00 0.00 O ATOM 255 CB PHE A 86 -2.330 -3.939 8.170 1.00 0.00 C ATOM 256 CG PHE A 86 -1.076 -3.437 7.513 1.00 0.00 C ATOM 257 CD1 PHE A 86 -1.135 -2.744 6.315 1.00 0.00 C ATOM 258 CD2 PHE A 86 0.163 -3.659 8.094 1.00 0.00 C ATOM 259 CE1 PHE A 86 0.017 -2.281 5.707 1.00 0.00 C ATOM 260 CE2 PHE A 86 1.318 -3.198 7.491 1.00 0.00 C ATOM 261 CZ PHE A 86 1.245 -2.509 6.296 1.00 0.00 C ATOM 0 H PHE A 86 -3.977 -4.515 5.930 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.113 -6.016 7.661 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.099 -3.170 8.102 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.135 -4.102 9.230 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.093 -2.563 5.850 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.226 -4.198 9.028 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.043 -1.742 4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.277 -3.376 7.954 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.147 -2.149 5.823 1.00 0.00 H new ATOM 271 N ARG A 87 -4.007 -5.856 9.603 1.00 0.00 N ATOM 272 CA ARG A 87 -5.137 -6.279 10.422 1.00 0.00 C ATOM 273 C ARG A 87 -5.594 -5.151 11.342 1.00 0.00 C ATOM 274 O ARG A 87 -6.782 -5.019 11.634 1.00 0.00 O ATOM 275 CB ARG A 87 -4.760 -7.508 11.252 1.00 0.00 C ATOM 276 CG ARG A 87 -3.410 -7.388 11.939 1.00 0.00 C ATOM 277 CD ARG A 87 -2.290 -7.931 11.065 1.00 0.00 C ATOM 278 NE ARG A 87 -2.050 -9.352 11.303 1.00 0.00 N ATOM 279 CZ ARG A 87 -1.395 -9.819 12.360 1.00 0.00 C ATOM 280 NH1 ARG A 87 -0.918 -8.983 13.271 1.00 0.00 N ATOM 281 NH2 ARG A 87 -1.217 -11.126 12.506 1.00 0.00 N ATOM 0 H ARG A 87 -3.139 -5.716 10.121 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.960 -6.537 9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.528 -7.676 12.007 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.752 -8.385 10.604 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.213 -6.343 12.177 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.432 -7.931 12.884 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.542 -7.777 10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.375 -7.371 11.259 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.405 -10.022 10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.053 -7.978 13.162 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.415 -9.345 14.082 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.583 -11.772 11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.714 -11.485 13.318 1.00 0.00 H new ATOM 295 N GLN A 88 -4.642 -4.341 11.795 1.00 0.00 N ATOM 296 CA GLN A 88 -4.948 -3.225 12.682 1.00 0.00 C ATOM 297 C GLN A 88 -4.596 -1.895 12.025 1.00 0.00 C ATOM 298 O GLN A 88 -3.638 -1.803 11.257 1.00 0.00 O ATOM 299 CB GLN A 88 -4.188 -3.373 14.002 1.00 0.00 C ATOM 300 CG GLN A 88 -4.787 -4.412 14.936 1.00 0.00 C ATOM 301 CD GLN A 88 -5.843 -3.831 15.855 1.00 0.00 C ATOM 302 OE1 GLN A 88 -5.833 -2.637 16.154 1.00 0.00 O ATOM 303 NE2 GLN A 88 -6.763 -4.675 16.307 1.00 0.00 N ATOM 0 H GLN A 88 -3.653 -4.437 11.563 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.019 -3.237 12.884 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.154 -3.642 13.788 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.168 -2.409 14.510 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.227 -5.215 14.345 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.993 -4.856 15.536 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -6.733 -5.657 16.033 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -7.500 -4.341 16.928 1.00 0.00 H new ATOM 312 N LYS A 89 -5.377 -0.865 12.332 1.00 0.00 N ATOM 313 CA LYS A 89 -5.148 0.462 11.772 1.00 0.00 C ATOM 314 C LYS A 89 -3.741 0.954 12.096 1.00 0.00 C ATOM 315 O LYS A 89 -3.090 1.589 11.268 1.00 0.00 O ATOM 316 CB LYS A 89 -6.183 1.452 12.314 1.00 0.00 C ATOM 317 CG LYS A 89 -7.564 1.281 11.705 1.00 0.00 C ATOM 318 CD LYS A 89 -8.383 0.248 12.461 1.00 0.00 C ATOM 319 CE LYS A 89 -9.873 0.535 12.360 1.00 0.00 C ATOM 320 NZ LYS A 89 -10.304 1.582 13.328 1.00 0.00 N ATOM 0 H LYS A 89 -6.174 -0.923 12.966 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.250 0.395 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.255 1.334 13.395 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -5.835 2.468 12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.087 2.237 11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.468 0.978 10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.175 -0.745 12.063 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.083 0.240 13.509 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.113 0.857 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.433 -0.382 12.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.326 1.748 13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.099 1.265 14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.789 2.465 13.137 1.00 0.00 H new ATOM 334 N GLY A 90 -3.278 0.655 13.306 1.00 0.00 N ATOM 335 CA GLY A 90 -1.951 1.074 13.716 1.00 0.00 C ATOM 336 C GLY A 90 -0.855 0.374 12.937 1.00 0.00 C ATOM 337 O GLY A 90 0.200 0.953 12.680 1.00 0.00 O ATOM 0 H GLY A 90 -3.798 0.130 14.009 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.856 2.152 13.582 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.822 0.872 14.779 1.00 0.00 H new ATOM 341 N SER A 91 -1.105 -0.876 12.560 1.00 0.00 N ATOM 342 CA SER A 91 -0.129 -1.657 11.809 1.00 0.00 C ATOM 343 C SER A 91 0.320 -0.909 10.558 1.00 0.00 C ATOM 344 O SER A 91 1.513 -0.827 10.263 1.00 0.00 O ATOM 345 CB SER A 91 -0.720 -3.014 11.422 1.00 0.00 C ATOM 346 OG SER A 91 -1.211 -3.700 12.560 1.00 0.00 O ATOM 0 H SER A 91 -1.975 -1.369 12.762 1.00 0.00 H new ATOM 0 HA SER A 91 0.741 -1.816 12.447 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.527 -2.871 10.704 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.042 -3.619 10.930 1.00 0.00 H new ATOM 0 HG SER A 91 -1.585 -4.563 12.285 1.00 0.00 H new ATOM 352 N LEU A 92 -0.645 -0.365 9.824 1.00 0.00 N ATOM 353 CA LEU A 92 -0.351 0.377 8.603 1.00 0.00 C ATOM 354 C LEU A 92 0.356 1.691 8.921 1.00 0.00 C ATOM 355 O LEU A 92 1.277 2.101 8.213 1.00 0.00 O ATOM 356 CB LEU A 92 -1.641 0.654 7.828 1.00 0.00 C ATOM 357 CG LEU A 92 -1.526 1.639 6.664 1.00 0.00 C ATOM 358 CD1 LEU A 92 -0.481 1.165 5.665 1.00 0.00 C ATOM 359 CD2 LEU A 92 -2.875 1.819 5.982 1.00 0.00 C ATOM 0 H LEU A 92 -1.637 -0.424 10.053 1.00 0.00 H new ATOM 0 HA LEU A 92 0.312 -0.232 7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.019 -0.292 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.387 1.033 8.527 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.210 2.604 7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.413 1.878 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.487 1.088 6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.767 0.188 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.774 2.523 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.220 0.858 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.598 2.204 6.701 1.00 0.00 H new ATOM 371 N THR A 93 -0.078 2.347 9.993 1.00 0.00 N ATOM 372 CA THR A 93 0.514 3.612 10.406 1.00 0.00 C ATOM 373 C THR A 93 2.014 3.468 10.640 1.00 0.00 C ATOM 374 O THR A 93 2.803 4.313 10.215 1.00 0.00 O ATOM 375 CB THR A 93 -0.145 4.148 11.691 1.00 0.00 C ATOM 376 OG1 THR A 93 -1.544 4.360 11.472 1.00 0.00 O ATOM 377 CG2 THR A 93 0.507 5.450 12.132 1.00 0.00 C ATOM 0 H THR A 93 -0.838 2.022 10.591 1.00 0.00 H new ATOM 0 HA THR A 93 0.342 4.320 9.595 1.00 0.00 H new ATOM 0 HB THR A 93 -0.009 3.407 12.479 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.998 3.495 11.395 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.025 5.809 13.041 1.00 0.00 H new ATOM 0 HG22 THR A 93 1.566 5.279 12.326 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.398 6.196 11.345 1.00 0.00 H new ATOM 385 N LEU A 94 2.401 2.393 11.317 1.00 0.00 N ATOM 386 CA LEU A 94 3.808 2.137 11.607 1.00 0.00 C ATOM 387 C LEU A 94 4.576 1.810 10.331 1.00 0.00 C ATOM 388 O LEU A 94 5.750 2.155 10.194 1.00 0.00 O ATOM 389 CB LEU A 94 3.942 0.986 12.606 1.00 0.00 C ATOM 390 CG LEU A 94 3.911 1.374 14.085 1.00 0.00 C ATOM 391 CD1 LEU A 94 3.903 0.132 14.963 1.00 0.00 C ATOM 392 CD2 LEU A 94 5.096 2.264 14.428 1.00 0.00 C ATOM 0 H LEU A 94 1.761 1.684 11.676 1.00 0.00 H new ATOM 0 HA LEU A 94 4.234 3.040 12.044 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.137 0.275 12.421 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.879 0.466 12.407 1.00 0.00 H new ATOM 0 HG LEU A 94 2.995 1.934 14.275 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.881 0.428 16.012 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.022 -0.468 14.737 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.801 -0.455 14.771 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.057 2.530 15.484 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.024 1.730 14.222 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.057 3.170 13.824 1.00 0.00 H new ATOM 404 N HIS A 95 3.905 1.142 9.397 1.00 0.00 N ATOM 405 CA HIS A 95 4.524 0.771 8.130 1.00 0.00 C ATOM 406 C HIS A 95 4.905 2.011 7.327 1.00 0.00 C ATOM 407 O HIS A 95 5.850 1.985 6.540 1.00 0.00 O ATOM 408 CB HIS A 95 3.576 -0.109 7.314 1.00 0.00 C ATOM 409 CG HIS A 95 4.059 -0.379 5.922 1.00 0.00 C ATOM 410 ND1 HIS A 95 5.091 -1.249 5.640 1.00 0.00 N ATOM 411 CD2 HIS A 95 3.644 0.109 4.730 1.00 0.00 C ATOM 412 CE1 HIS A 95 5.291 -1.282 4.334 1.00 0.00 C ATOM 413 NE2 HIS A 95 4.426 -0.467 3.759 1.00 0.00 N ATOM 0 H HIS A 95 2.933 0.847 9.494 1.00 0.00 H new ATOM 0 HA HIS A 95 5.432 0.209 8.348 1.00 0.00 H new ATOM 0 HB2 HIS A 95 3.438 -1.058 7.832 1.00 0.00 H new ATOM 0 HB3 HIS A 95 2.599 0.372 7.264 1.00 0.00 H new ATOM 0 HD1 HIS A 95 5.618 -1.783 6.331 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.846 0.819 4.572 1.00 0.00 H new ATOM 0 HE1 HIS A 95 6.036 -1.875 3.824 1.00 0.00 H new ATOM 421 N GLU A 96 4.161 3.094 7.531 1.00 0.00 N ATOM 422 CA GLU A 96 4.421 4.342 6.825 1.00 0.00 C ATOM 423 C GLU A 96 5.827 4.855 7.124 1.00 0.00 C ATOM 424 O GLU A 96 6.381 5.655 6.370 1.00 0.00 O ATOM 425 CB GLU A 96 3.387 5.400 7.215 1.00 0.00 C ATOM 426 CG GLU A 96 1.976 5.069 6.759 1.00 0.00 C ATOM 427 CD GLU A 96 1.003 6.207 7.000 1.00 0.00 C ATOM 428 OE1 GLU A 96 1.398 7.376 6.805 1.00 0.00 O ATOM 429 OE2 GLU A 96 -0.153 5.930 7.383 1.00 0.00 O ATOM 0 H GLU A 96 3.374 3.132 8.179 1.00 0.00 H new ATOM 0 HA GLU A 96 4.344 4.146 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.391 5.518 8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.682 6.359 6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.989 4.826 5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.627 4.180 7.285 1.00 0.00 H new ATOM 436 N ARG A 97 6.397 4.388 8.230 1.00 0.00 N ATOM 437 CA ARG A 97 7.737 4.800 8.631 1.00 0.00 C ATOM 438 C ARG A 97 8.727 4.619 7.485 1.00 0.00 C ATOM 439 O ARG A 97 9.416 5.561 7.092 1.00 0.00 O ATOM 440 CB ARG A 97 8.197 3.997 9.850 1.00 0.00 C ATOM 441 CG ARG A 97 7.595 4.479 11.159 1.00 0.00 C ATOM 442 CD ARG A 97 8.101 3.663 12.338 1.00 0.00 C ATOM 443 NE ARG A 97 9.558 3.556 12.345 1.00 0.00 N ATOM 444 CZ ARG A 97 10.225 2.660 13.063 1.00 0.00 C ATOM 445 NH1 ARG A 97 9.571 1.796 13.827 1.00 0.00 N ATOM 446 NH2 ARG A 97 11.551 2.625 13.016 1.00 0.00 N ATOM 0 H ARG A 97 5.952 3.724 8.864 1.00 0.00 H new ATOM 0 HA ARG A 97 7.702 5.857 8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.936 2.949 9.704 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.284 4.048 9.919 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.842 5.530 11.309 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.508 4.411 11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.767 4.124 13.268 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.664 2.665 12.302 1.00 0.00 H new ATOM 0 HE ARG A 97 10.092 4.205 11.767 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.552 1.818 13.865 1.00 0.00 H new ATOM 0 HH12 ARG A 97 10.087 1.109 14.377 1.00 0.00 H new ATOM 0 HH21 ARG A 97 12.058 3.287 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 97 12.063 1.937 13.568 1.00 0.00 H new ATOM 460 N ILE A 98 8.793 3.402 6.954 1.00 0.00 N ATOM 461 CA ILE A 98 9.699 3.098 5.854 1.00 0.00 C ATOM 462 C ILE A 98 9.337 3.898 4.607 1.00 0.00 C ATOM 463 O ILE A 98 10.158 4.068 3.705 1.00 0.00 O ATOM 464 CB ILE A 98 9.682 1.597 5.510 1.00 0.00 C ATOM 465 CG1 ILE A 98 8.261 1.145 5.168 1.00 0.00 C ATOM 466 CG2 ILE A 98 10.239 0.782 6.668 1.00 0.00 C ATOM 467 CD1 ILE A 98 8.211 0.015 4.164 1.00 0.00 C ATOM 0 H ILE A 98 8.230 2.612 7.268 1.00 0.00 H new ATOM 0 HA ILE A 98 10.700 3.376 6.183 1.00 0.00 H new ATOM 0 HB ILE A 98 10.315 1.432 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.759 0.830 6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.703 1.995 4.774 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.220 -0.277 6.410 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.266 1.089 6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.630 0.949 7.557 1.00 0.00 H new ATOM 0 HD11 ILE A 98 7.173 -0.253 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.684 0.333 3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.740 -0.850 4.563 1.00 0.00 H new ATOM 479 N HIS A 99 8.102 4.388 4.563 1.00 0.00 N ATOM 480 CA HIS A 99 7.631 5.173 3.427 1.00 0.00 C ATOM 481 C HIS A 99 7.917 6.657 3.636 1.00 0.00 C ATOM 482 O HIS A 99 7.063 7.404 4.114 1.00 0.00 O ATOM 483 CB HIS A 99 6.133 4.955 3.216 1.00 0.00 C ATOM 484 CG HIS A 99 5.809 3.692 2.480 1.00 0.00 C ATOM 485 ND1 HIS A 99 6.437 3.320 1.310 1.00 0.00 N ATOM 486 CD2 HIS A 99 4.918 2.710 2.755 1.00 0.00 C ATOM 487 CE1 HIS A 99 5.945 2.166 0.896 1.00 0.00 C ATOM 488 NE2 HIS A 99 5.022 1.774 1.756 1.00 0.00 N ATOM 0 H HIS A 99 7.410 4.256 5.300 1.00 0.00 H new ATOM 0 HA HIS A 99 8.168 4.839 2.539 1.00 0.00 H new ATOM 0 HB2 HIS A 99 5.637 4.938 4.186 1.00 0.00 H new ATOM 0 HB3 HIS A 99 5.725 5.802 2.664 1.00 0.00 H new ATOM 0 HD1 HIS A 99 7.167 3.853 0.838 1.00 0.00 H new ATOM 0 HD2 HIS A 99 4.250 2.670 3.603 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.246 1.634 0.006 1.00 0.00 H new ATOM 496 N THR A 100 9.126 7.079 3.276 1.00 0.00 N ATOM 497 CA THR A 100 9.525 8.472 3.425 1.00 0.00 C ATOM 498 C THR A 100 10.414 8.917 2.270 1.00 0.00 C ATOM 499 O THR A 100 11.223 8.141 1.762 1.00 0.00 O ATOM 500 CB THR A 100 10.274 8.703 4.752 1.00 0.00 C ATOM 501 OG1 THR A 100 9.442 8.327 5.855 1.00 0.00 O ATOM 502 CG2 THR A 100 10.686 10.160 4.894 1.00 0.00 C ATOM 0 H THR A 100 9.845 6.475 2.879 1.00 0.00 H new ATOM 0 HA THR A 100 8.610 9.064 3.424 1.00 0.00 H new ATOM 0 HB THR A 100 11.173 8.087 4.749 1.00 0.00 H new ATOM 0 HG1 THR A 100 9.615 7.392 6.091 1.00 0.00 H new ATOM 0 HG21 THR A 100 11.213 10.299 5.838 1.00 0.00 H new ATOM 0 HG22 THR A 100 11.342 10.435 4.068 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.798 10.792 4.878 1.00 0.00 H new ATOM 510 N GLY A 101 10.258 10.171 1.858 1.00 0.00 N ATOM 511 CA GLY A 101 11.054 10.697 0.764 1.00 0.00 C ATOM 512 C GLY A 101 11.470 12.137 0.990 1.00 0.00 C ATOM 513 O GLY A 101 11.245 12.997 0.139 1.00 0.00 O ATOM 0 H GLY A 101 9.595 10.832 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.944 10.081 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.484 10.628 -0.162 1.00 0.00 H new ATOM 517 N SER A 102 12.078 12.402 2.142 1.00 0.00 N ATOM 518 CA SER A 102 12.522 13.750 2.481 1.00 0.00 C ATOM 519 C SER A 102 11.383 14.752 2.321 1.00 0.00 C ATOM 520 O SER A 102 11.608 15.920 2.005 1.00 0.00 O ATOM 521 CB SER A 102 13.703 14.157 1.598 1.00 0.00 C ATOM 522 OG SER A 102 13.256 14.699 0.367 1.00 0.00 O ATOM 0 H SER A 102 12.275 11.701 2.857 1.00 0.00 H new ATOM 0 HA SER A 102 12.840 13.751 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.316 14.891 2.121 1.00 0.00 H new ATOM 0 HB3 SER A 102 14.336 13.290 1.409 1.00 0.00 H new ATOM 0 HG SER A 102 12.660 14.059 -0.075 1.00 0.00 H new ATOM 528 N GLY A 103 10.157 14.287 2.543 1.00 0.00 N ATOM 529 CA GLY A 103 9.001 15.155 2.420 1.00 0.00 C ATOM 530 C GLY A 103 8.693 15.897 3.705 1.00 0.00 C ATOM 531 O GLY A 103 8.952 17.094 3.833 1.00 0.00 O ATOM 0 H GLY A 103 9.944 13.325 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.175 15.876 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.134 14.561 2.130 1.00 0.00 H new ATOM 535 N PRO A 104 8.124 15.179 4.686 1.00 0.00 N ATOM 536 CA PRO A 104 7.767 15.757 5.985 1.00 0.00 C ATOM 537 C PRO A 104 8.994 16.109 6.819 1.00 0.00 C ATOM 538 O PRO A 104 9.509 15.276 7.564 1.00 0.00 O ATOM 539 CB PRO A 104 6.963 14.644 6.659 1.00 0.00 C ATOM 540 CG PRO A 104 7.446 13.387 6.021 1.00 0.00 C ATOM 541 CD PRO A 104 7.787 13.748 4.602 1.00 0.00 C ATOM 0 HA PRO A 104 7.218 16.693 5.878 1.00 0.00 H new ATOM 0 HB2 PRO A 104 7.131 14.631 7.736 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.893 14.780 6.505 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.318 12.994 6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.679 12.613 6.053 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.624 13.159 4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 104 6.947 13.572 3.930 1.00 0.00 H new ATOM 549 N SER A 105 9.456 17.349 6.690 1.00 0.00 N ATOM 550 CA SER A 105 10.625 17.810 7.431 1.00 0.00 C ATOM 551 C SER A 105 10.465 19.270 7.844 1.00 0.00 C ATOM 552 O SER A 105 9.427 19.885 7.601 1.00 0.00 O ATOM 553 CB SER A 105 11.889 17.643 6.586 1.00 0.00 C ATOM 554 OG SER A 105 12.088 16.286 6.229 1.00 0.00 O ATOM 0 H SER A 105 9.039 18.052 6.080 1.00 0.00 H new ATOM 0 HA SER A 105 10.716 17.203 8.332 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.811 18.252 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.753 18.006 7.142 1.00 0.00 H new ATOM 0 HG SER A 105 12.901 16.206 5.688 1.00 0.00 H new ATOM 560 N SER A 106 11.501 19.818 8.470 1.00 0.00 N ATOM 561 CA SER A 106 11.476 21.204 8.921 1.00 0.00 C ATOM 562 C SER A 106 12.866 21.827 8.843 1.00 0.00 C ATOM 563 O SER A 106 13.858 21.211 9.232 1.00 0.00 O ATOM 564 CB SER A 106 10.948 21.287 10.355 1.00 0.00 C ATOM 565 OG SER A 106 11.272 22.533 10.947 1.00 0.00 O ATOM 0 H SER A 106 12.369 19.323 8.677 1.00 0.00 H new ATOM 0 HA SER A 106 10.810 21.761 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.867 21.151 10.356 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.372 20.477 10.949 1.00 0.00 H new ATOM 0 HG SER A 106 10.922 22.561 11.862 1.00 0.00 H new ATOM 571 N GLY A 107 12.931 23.054 8.336 1.00 0.00 N ATOM 572 CA GLY A 107 14.204 23.741 8.215 1.00 0.00 C ATOM 573 C GLY A 107 14.801 23.614 6.827 1.00 0.00 C ATOM 574 O GLY A 107 14.192 24.082 5.867 1.00 0.00 O ATOM 0 H GLY A 107 12.125 23.585 8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 107 14.068 24.796 8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 107 14.903 23.336 8.947 1.00 0.00 H new TER 578 GLY A 107 HETATM 579 ZN ZN A 201 3.741 0.354 1.957 1.00 0.00 ZN