USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 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 Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.836 USER MOD Single : A 100 GLN : amide:sc= -0.294 K(o=-0.29,f=-2.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.047) USER MOD Single : A 105 MET CE :methyl -155:sc= -1.66 (180deg=-4.2!) USER MOD Single : A 111 SER OG : rot 180:sc=-0.00276 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot -170:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -122:sc= 2.67 USER MOD Single : A 131 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.2!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.588 -0.884 1.775 1.00 0.00 N ATOM 40 CA ILE A 81 10.457 -1.512 1.023 1.00 0.00 C ATOM 41 C ILE A 81 9.179 -0.743 1.369 1.00 0.00 C ATOM 42 O ILE A 81 8.241 -1.304 1.888 1.00 0.00 O ATOM 43 CB ILE A 81 10.410 -2.984 1.528 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.400 -3.877 0.735 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.028 -3.007 3.014 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.354 -3.502 -0.754 1.00 0.00 C ATOM 0 HA ILE A 81 10.569 -1.488 -0.061 1.00 0.00 H new ATOM 0 HB ILE A 81 11.406 -3.398 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.683 -4.925 0.837 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.405 -3.772 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.996 -4.038 3.365 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.769 -2.451 3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.048 -2.548 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.641 -4.145 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.045 -2.462 -0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.343 -3.632 -1.193 1.00 0.00 H new ATOM 58 N ILE A 82 9.143 0.547 1.113 1.00 0.00 N ATOM 59 CA ILE A 82 7.915 1.326 1.462 1.00 0.00 C ATOM 60 C ILE A 82 7.317 1.942 0.206 1.00 0.00 C ATOM 61 O ILE A 82 7.958 2.012 -0.814 1.00 0.00 O ATOM 62 CB ILE A 82 8.371 2.404 2.450 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.962 1.731 3.694 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.179 3.278 2.864 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.753 2.761 4.504 1.00 0.00 C ATOM 0 H ILE A 82 9.898 1.083 0.685 1.00 0.00 H new ATOM 0 HA ILE A 82 7.141 0.699 1.904 1.00 0.00 H new ATOM 0 HB ILE A 82 9.124 3.031 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.165 1.307 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.612 0.907 3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.514 4.041 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.756 3.758 1.982 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.420 2.657 3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.173 2.283 5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.559 3.164 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.090 3.571 4.809 1.00 0.00 H new ATOM 77 N VAL A 83 6.091 2.385 0.284 1.00 0.00 N ATOM 78 CA VAL A 83 5.428 3.005 -0.902 1.00 0.00 C ATOM 79 C VAL A 83 4.558 4.182 -0.462 1.00 0.00 C ATOM 80 O VAL A 83 4.294 4.371 0.712 1.00 0.00 O ATOM 81 CB VAL A 83 4.525 1.921 -1.518 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.357 0.821 -2.176 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.629 1.302 -0.438 1.00 0.00 C ATOM 0 H VAL A 83 5.515 2.344 1.125 1.00 0.00 H new ATOM 0 HA VAL A 83 6.170 3.369 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 83 3.906 2.395 -2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.693 0.069 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.972 1.253 -2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.000 0.356 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.995 0.537 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.250 0.851 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.004 2.078 0.005 1.00 0.00 H new ATOM 93 N VAL A 84 4.079 4.947 -1.405 1.00 0.00 N ATOM 94 CA VAL A 84 3.187 6.087 -1.066 1.00 0.00 C ATOM 95 C VAL A 84 1.938 6.006 -1.951 1.00 0.00 C ATOM 96 O VAL A 84 2.036 5.917 -3.164 1.00 0.00 O ATOM 97 CB VAL A 84 4.010 7.372 -1.323 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.088 7.702 -2.821 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.350 8.548 -0.602 1.00 0.00 C ATOM 0 H VAL A 84 4.269 4.829 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 84 2.849 6.076 -0.030 1.00 0.00 H new ATOM 0 HB VAL A 84 5.020 7.202 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.673 8.610 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.564 6.877 -3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.082 7.853 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.927 9.455 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.336 8.683 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.315 8.345 0.468 1.00 0.00 H new ATOM 109 N ALA A 85 0.778 6.025 -1.359 1.00 0.00 N ATOM 110 CA ALA A 85 -0.464 5.955 -2.171 1.00 0.00 C ATOM 111 C ALA A 85 -0.628 7.264 -2.920 1.00 0.00 C ATOM 112 O ALA A 85 -0.709 8.321 -2.311 1.00 0.00 O ATOM 113 CB ALA A 85 -1.600 5.777 -1.175 1.00 0.00 C ATOM 0 H ALA A 85 0.637 6.086 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.445 5.142 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.548 5.718 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.446 4.859 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.621 6.626 -0.492 1.00 0.00 H new ATOM 119 N LEU A 86 -0.670 7.201 -4.229 1.00 0.00 N ATOM 120 CA LEU A 86 -0.816 8.442 -5.047 1.00 0.00 C ATOM 121 C LEU A 86 -2.283 8.710 -5.388 1.00 0.00 C ATOM 122 O LEU A 86 -2.584 9.643 -6.105 1.00 0.00 O ATOM 123 CB LEU A 86 -0.041 8.159 -6.334 1.00 0.00 C ATOM 124 CG LEU A 86 1.455 8.086 -6.032 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.204 7.622 -7.283 1.00 0.00 C ATOM 126 CD2 LEU A 86 1.960 9.472 -5.618 1.00 0.00 C ATOM 0 H LEU A 86 -0.609 6.337 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.448 9.316 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.379 7.221 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.236 8.943 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 86 1.629 7.379 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.272 7.569 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.844 6.636 -7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.031 8.329 -8.094 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.027 9.421 -5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.787 10.179 -6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.425 9.803 -4.728 1.00 0.00 H new ATOM 138 N TYR A 87 -3.197 7.904 -4.895 1.00 0.00 N ATOM 139 CA TYR A 87 -4.648 8.130 -5.195 1.00 0.00 C ATOM 140 C TYR A 87 -5.486 7.556 -4.049 1.00 0.00 C ATOM 141 O TYR A 87 -5.083 6.612 -3.393 1.00 0.00 O ATOM 142 CB TYR A 87 -4.959 7.381 -6.505 1.00 0.00 C ATOM 143 CG TYR A 87 -3.964 7.746 -7.585 1.00 0.00 C ATOM 144 CD1 TYR A 87 -4.190 8.856 -8.406 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.811 6.972 -7.752 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.259 9.192 -9.397 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.879 7.308 -8.740 1.00 0.00 C ATOM 148 CZ TYR A 87 -2.102 8.418 -9.564 1.00 0.00 C ATOM 149 OH TYR A 87 -1.184 8.750 -10.539 1.00 0.00 O ATOM 0 H TYR A 87 -3.000 7.100 -4.298 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.878 9.191 -5.298 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.932 6.306 -6.329 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.968 7.625 -6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.081 9.453 -8.276 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.640 6.115 -7.118 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.432 10.048 -10.033 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.988 6.711 -8.867 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.440 8.112 -10.519 1.00 0.00 H new ATOM 159 N ASP A 88 -6.638 8.119 -3.798 1.00 0.00 N ATOM 160 CA ASP A 88 -7.500 7.606 -2.687 1.00 0.00 C ATOM 161 C ASP A 88 -7.997 6.193 -3.020 1.00 0.00 C ATOM 162 O ASP A 88 -8.324 5.903 -4.155 1.00 0.00 O ATOM 163 CB ASP A 88 -8.679 8.576 -2.601 1.00 0.00 C ATOM 164 CG ASP A 88 -8.210 9.908 -2.012 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.326 9.883 -1.172 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.745 10.929 -2.410 1.00 0.00 O ATOM 0 H ASP A 88 -7.021 8.912 -4.313 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.958 7.547 -1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.104 8.735 -3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.468 8.151 -1.980 1.00 0.00 H new ATOM 171 N TYR A 89 -8.056 5.314 -2.046 1.00 0.00 N ATOM 172 CA TYR A 89 -8.536 3.921 -2.324 1.00 0.00 C ATOM 173 C TYR A 89 -9.101 3.263 -1.059 1.00 0.00 C ATOM 174 O TYR A 89 -8.407 3.091 -0.077 1.00 0.00 O ATOM 175 CB TYR A 89 -7.300 3.161 -2.802 1.00 0.00 C ATOM 176 CG TYR A 89 -7.731 1.843 -3.394 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.383 1.813 -4.633 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.499 0.651 -2.695 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.805 0.592 -5.174 1.00 0.00 C ATOM 180 CE2 TYR A 89 -7.917 -0.571 -3.238 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.572 -0.600 -4.476 1.00 0.00 C ATOM 182 OH TYR A 89 -8.990 -1.804 -5.007 1.00 0.00 O ATOM 0 H TYR A 89 -7.795 5.499 -1.078 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.340 3.918 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.761 3.749 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.616 2.994 -1.970 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.561 2.732 -5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.998 0.674 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.310 0.569 -6.129 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.734 -1.491 -2.702 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.749 -2.532 -4.397 1.00 0.00 H new ATOM 192 N GLU A 90 -10.356 2.881 -1.087 1.00 0.00 N ATOM 193 CA GLU A 90 -10.983 2.220 0.101 1.00 0.00 C ATOM 194 C GLU A 90 -11.245 0.734 -0.183 1.00 0.00 C ATOM 195 O GLU A 90 -11.916 0.392 -1.140 1.00 0.00 O ATOM 196 CB GLU A 90 -12.306 2.962 0.299 1.00 0.00 C ATOM 197 CG GLU A 90 -12.627 3.061 1.793 1.00 0.00 C ATOM 198 CD GLU A 90 -14.148 3.081 2.003 1.00 0.00 C ATOM 199 OE1 GLU A 90 -14.859 3.421 1.068 1.00 0.00 O ATOM 200 OE2 GLU A 90 -14.576 2.756 3.096 1.00 0.00 O ATOM 0 H GLU A 90 -10.977 3.000 -1.888 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.343 2.263 0.982 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.242 3.960 -0.135 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.108 2.438 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.189 2.216 2.324 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.182 3.965 2.210 1.00 0.00 H new ATOM 207 N ALA A 91 -10.729 -0.153 0.641 1.00 0.00 N ATOM 208 CA ALA A 91 -10.960 -1.619 0.412 1.00 0.00 C ATOM 209 C ALA A 91 -12.459 -1.926 0.386 1.00 0.00 C ATOM 210 O ALA A 91 -13.242 -1.293 1.068 1.00 0.00 O ATOM 211 CB ALA A 91 -10.302 -2.336 1.596 1.00 0.00 C ATOM 0 H ALA A 91 -10.161 0.074 1.457 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.544 -1.942 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.435 -3.413 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.238 -2.102 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.765 -2.004 2.525 1.00 0.00 H new ATOM 285 N ASP A 96 -7.888 -6.281 2.031 1.00 0.00 N ATOM 286 CA ASP A 96 -7.473 -5.172 1.129 1.00 0.00 C ATOM 287 C ASP A 96 -7.192 -3.935 1.982 1.00 0.00 C ATOM 288 O ASP A 96 -7.920 -3.648 2.916 1.00 0.00 O ATOM 289 CB ASP A 96 -8.673 -4.959 0.210 1.00 0.00 C ATOM 290 CG ASP A 96 -8.283 -4.028 -0.939 1.00 0.00 C ATOM 291 OD1 ASP A 96 -7.596 -3.054 -0.680 1.00 0.00 O ATOM 292 OD2 ASP A 96 -8.676 -4.307 -2.060 1.00 0.00 O ATOM 0 HA ASP A 96 -6.571 -5.381 0.554 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.016 -5.916 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.503 -4.531 0.772 1.00 0.00 H new ATOM 297 N LEU A 97 -6.133 -3.219 1.702 1.00 0.00 N ATOM 298 CA LEU A 97 -5.807 -2.026 2.538 1.00 0.00 C ATOM 299 C LEU A 97 -6.291 -0.730 1.888 1.00 0.00 C ATOM 300 O LEU A 97 -6.070 -0.478 0.719 1.00 0.00 O ATOM 301 CB LEU A 97 -4.284 -2.022 2.658 1.00 0.00 C ATOM 302 CG LEU A 97 -3.853 -0.882 3.584 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.279 -1.203 5.017 1.00 0.00 C ATOM 304 CD2 LEU A 97 -2.331 -0.708 3.524 1.00 0.00 C ATOM 0 H LEU A 97 -5.485 -3.407 0.937 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.301 -2.081 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.936 -2.977 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.830 -1.898 1.675 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.329 0.044 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.973 -0.392 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.362 -1.315 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.806 -2.131 5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.031 0.105 4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.846 -1.631 3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.032 -0.474 2.502 1.00 0.00 H new ATOM 316 N SER A 98 -6.927 0.103 2.668 1.00 0.00 N ATOM 317 CA SER A 98 -7.413 1.407 2.155 1.00 0.00 C ATOM 318 C SER A 98 -6.366 2.480 2.455 1.00 0.00 C ATOM 319 O SER A 98 -5.501 2.289 3.288 1.00 0.00 O ATOM 320 CB SER A 98 -8.695 1.684 2.938 1.00 0.00 C ATOM 321 OG SER A 98 -9.560 0.560 2.838 1.00 0.00 O ATOM 0 H SER A 98 -7.131 -0.072 3.652 1.00 0.00 H new ATOM 0 HA SER A 98 -7.590 1.403 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.460 1.884 3.983 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.189 2.573 2.546 1.00 0.00 H new ATOM 0 HG SER A 98 -10.383 0.735 3.341 1.00 0.00 H new ATOM 327 N PHE A 99 -6.437 3.602 1.790 1.00 0.00 N ATOM 328 CA PHE A 99 -5.446 4.694 2.048 1.00 0.00 C ATOM 329 C PHE A 99 -5.862 5.969 1.307 1.00 0.00 C ATOM 330 O PHE A 99 -6.996 6.094 0.879 1.00 0.00 O ATOM 331 CB PHE A 99 -4.078 4.166 1.568 1.00 0.00 C ATOM 332 CG PHE A 99 -4.168 3.552 0.185 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.242 4.374 -0.941 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.154 2.158 0.033 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.304 3.809 -2.221 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.213 1.592 -1.247 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.288 2.418 -2.375 1.00 0.00 C ATOM 0 H PHE A 99 -7.137 3.812 1.079 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.395 4.956 3.105 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.356 4.983 1.557 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.707 3.422 2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.251 5.448 -0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.098 1.521 0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.364 4.447 -3.090 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.201 0.518 -1.364 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.333 1.983 -3.362 1.00 0.00 H new ATOM 347 N GLN A 100 -4.976 6.929 1.184 1.00 0.00 N ATOM 348 CA GLN A 100 -5.358 8.203 0.505 1.00 0.00 C ATOM 349 C GLN A 100 -4.399 8.562 -0.640 1.00 0.00 C ATOM 350 O GLN A 100 -3.463 7.853 -0.947 1.00 0.00 O ATOM 351 CB GLN A 100 -5.325 9.272 1.606 1.00 0.00 C ATOM 352 CG GLN A 100 -6.730 9.861 1.796 1.00 0.00 C ATOM 353 CD GLN A 100 -6.998 10.110 3.283 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.396 9.488 4.137 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.887 10.997 3.632 1.00 0.00 N ATOM 0 H GLN A 100 -4.015 6.885 1.522 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.340 8.119 0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.974 8.835 2.541 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.622 10.061 1.339 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.820 10.795 1.241 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.477 9.177 1.393 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.393 11.520 2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.076 11.168 4.620 1.00 0.00 H new ATOM 364 N LYS A 101 -4.698 9.648 -1.295 1.00 0.00 N ATOM 365 CA LYS A 101 -3.902 10.115 -2.478 1.00 0.00 C ATOM 366 C LYS A 101 -2.435 10.430 -2.189 1.00 0.00 C ATOM 367 O LYS A 101 -1.618 10.469 -3.091 1.00 0.00 O ATOM 368 CB LYS A 101 -4.620 11.370 -2.927 1.00 0.00 C ATOM 369 CG LYS A 101 -4.151 11.741 -4.319 1.00 0.00 C ATOM 370 CD LYS A 101 -5.300 12.409 -5.068 1.00 0.00 C ATOM 371 CE LYS A 101 -6.345 11.353 -5.446 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.464 12.123 -6.057 1.00 0.00 N ATOM 0 H LYS A 101 -5.484 10.253 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.853 9.322 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.698 11.207 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.419 12.186 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.297 12.415 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.819 10.851 -4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.755 13.180 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.926 12.903 -5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.936 10.626 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.680 10.797 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.220 11.469 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.837 12.802 -5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.117 12.636 -6.892 1.00 0.00 H new ATOM 386 N GLY A 102 -2.107 10.686 -0.974 1.00 0.00 N ATOM 387 CA GLY A 102 -0.691 11.026 -0.624 1.00 0.00 C ATOM 388 C GLY A 102 -0.323 10.324 0.673 1.00 0.00 C ATOM 389 O GLY A 102 0.329 10.885 1.535 1.00 0.00 O ATOM 0 H GLY A 102 -2.755 10.679 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.020 10.715 -1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.578 12.105 -0.514 1.00 0.00 H new ATOM 393 N ASP A 103 -0.750 9.101 0.820 1.00 0.00 N ATOM 394 CA ASP A 103 -0.444 8.345 2.086 1.00 0.00 C ATOM 395 C ASP A 103 0.860 7.547 1.981 1.00 0.00 C ATOM 396 O ASP A 103 1.414 7.382 0.917 1.00 0.00 O ATOM 397 CB ASP A 103 -1.632 7.409 2.305 1.00 0.00 C ATOM 398 CG ASP A 103 -2.688 8.118 3.155 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.838 9.321 2.999 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.330 7.448 3.948 1.00 0.00 O ATOM 0 H ASP A 103 -1.295 8.587 0.128 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.303 9.032 2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.059 7.115 1.346 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.303 6.496 2.801 1.00 0.00 H new ATOM 405 N GLN A 104 1.330 7.024 3.088 1.00 0.00 N ATOM 406 CA GLN A 104 2.573 6.203 3.080 1.00 0.00 C ATOM 407 C GLN A 104 2.298 4.828 3.684 1.00 0.00 C ATOM 408 O GLN A 104 1.877 4.709 4.819 1.00 0.00 O ATOM 409 CB GLN A 104 3.590 6.964 3.934 1.00 0.00 C ATOM 410 CG GLN A 104 4.411 7.907 3.048 1.00 0.00 C ATOM 411 CD GLN A 104 5.883 7.851 3.471 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.484 8.866 3.760 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.490 6.695 3.523 1.00 0.00 N ATOM 0 H GLN A 104 0.897 7.135 4.005 1.00 0.00 H new ATOM 0 HA GLN A 104 2.943 6.047 2.067 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.075 7.534 4.708 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.250 6.261 4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.311 7.619 2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 104 4.035 8.926 3.136 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.985 5.843 3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.469 6.645 3.806 1.00 0.00 H new ATOM 422 N MET A 105 2.547 3.797 2.931 1.00 0.00 N ATOM 423 CA MET A 105 2.326 2.411 3.435 1.00 0.00 C ATOM 424 C MET A 105 3.600 1.611 3.218 1.00 0.00 C ATOM 425 O MET A 105 4.362 1.900 2.322 1.00 0.00 O ATOM 426 CB MET A 105 1.188 1.844 2.578 1.00 0.00 C ATOM 427 CG MET A 105 -0.064 2.713 2.730 1.00 0.00 C ATOM 428 SD MET A 105 -1.321 2.171 1.545 1.00 0.00 S ATOM 429 CE MET A 105 -0.424 2.623 0.041 1.00 0.00 C ATOM 0 H MET A 105 2.899 3.854 1.975 1.00 0.00 H new ATOM 0 HA MET A 105 2.077 2.377 4.496 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.492 1.809 1.532 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.969 0.820 2.881 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.451 2.638 3.746 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.184 3.761 2.560 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.134 2.798 -0.767 1.00 0.00 H new ATOM 0 HE2 MET A 105 0.153 3.530 0.220 1.00 0.00 H new ATOM 0 HE3 MET A 105 0.250 1.813 -0.238 1.00 0.00 H new ATOM 439 N VAL A 106 3.840 0.611 4.017 1.00 0.00 N ATOM 440 CA VAL A 106 5.072 -0.201 3.824 1.00 0.00 C ATOM 441 C VAL A 106 4.715 -1.418 2.987 1.00 0.00 C ATOM 442 O VAL A 106 3.586 -1.858 2.976 1.00 0.00 O ATOM 443 CB VAL A 106 5.525 -0.633 5.219 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.852 -1.379 5.112 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.697 0.595 6.126 1.00 0.00 C ATOM 0 H VAL A 106 3.241 0.322 4.790 1.00 0.00 H new ATOM 0 HA VAL A 106 5.862 0.353 3.318 1.00 0.00 H new ATOM 0 HB VAL A 106 4.769 -1.288 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.177 -1.688 6.106 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.725 -2.259 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.604 -0.723 4.672 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.020 0.274 7.116 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.447 1.261 5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.747 1.123 6.208 1.00 0.00 H new ATOM 455 N VAL A 107 5.661 -1.970 2.297 1.00 0.00 N ATOM 456 CA VAL A 107 5.373 -3.167 1.454 1.00 0.00 C ATOM 457 C VAL A 107 5.700 -4.447 2.242 1.00 0.00 C ATOM 458 O VAL A 107 6.721 -4.559 2.892 1.00 0.00 O ATOM 459 CB VAL A 107 6.244 -2.994 0.189 1.00 0.00 C ATOM 460 CG1 VAL A 107 6.473 -4.338 -0.518 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.522 -2.060 -0.778 1.00 0.00 C ATOM 0 H VAL A 107 6.628 -1.648 2.275 1.00 0.00 H new ATOM 0 HA VAL A 107 4.323 -3.256 1.174 1.00 0.00 H new ATOM 0 HB VAL A 107 7.209 -2.586 0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 107 7.089 -4.183 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.980 -5.024 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.513 -4.762 -0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.126 -1.929 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.558 -2.491 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.366 -1.092 -0.301 1.00 0.00 H new ATOM 471 N LEU A 108 4.828 -5.405 2.156 1.00 0.00 N ATOM 472 CA LEU A 108 5.018 -6.704 2.862 1.00 0.00 C ATOM 473 C LEU A 108 5.619 -7.729 1.896 1.00 0.00 C ATOM 474 O LEU A 108 6.293 -8.657 2.296 1.00 0.00 O ATOM 475 CB LEU A 108 3.597 -7.156 3.238 1.00 0.00 C ATOM 476 CG LEU A 108 3.082 -6.418 4.479 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.430 -5.119 4.058 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.037 -7.289 5.197 1.00 0.00 C ATOM 0 H LEU A 108 3.967 -5.344 1.612 1.00 0.00 H new ATOM 0 HA LEU A 108 5.679 -6.612 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.923 -6.975 2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.593 -8.230 3.424 1.00 0.00 H new ATOM 0 HG LEU A 108 3.917 -6.214 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.063 -4.593 4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.160 -4.496 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.596 -5.331 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.671 -6.765 6.079 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.205 -7.489 4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.494 -8.231 5.499 1.00 0.00 H new ATOM 490 N GLU A 109 5.367 -7.560 0.621 1.00 0.00 N ATOM 491 CA GLU A 109 5.900 -8.515 -0.394 1.00 0.00 C ATOM 492 C GLU A 109 5.997 -7.826 -1.757 1.00 0.00 C ATOM 493 O GLU A 109 5.736 -6.648 -1.885 1.00 0.00 O ATOM 494 CB GLU A 109 4.876 -9.650 -0.451 1.00 0.00 C ATOM 495 CG GLU A 109 5.234 -10.725 0.577 1.00 0.00 C ATOM 496 CD GLU A 109 4.397 -11.979 0.314 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.413 -12.452 -0.809 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.753 -12.443 1.240 1.00 0.00 O ATOM 0 H GLU A 109 4.811 -6.795 0.239 1.00 0.00 H new ATOM 0 HA GLU A 109 6.896 -8.875 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.877 -9.261 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.855 -10.083 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.296 -10.964 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.048 -10.355 1.586 1.00 0.00 H new ATOM 505 N GLU A 110 6.342 -8.562 -2.780 1.00 0.00 N ATOM 506 CA GLU A 110 6.432 -7.962 -4.147 1.00 0.00 C ATOM 507 C GLU A 110 5.824 -8.921 -5.174 1.00 0.00 C ATOM 508 O GLU A 110 6.459 -9.867 -5.603 1.00 0.00 O ATOM 509 CB GLU A 110 7.928 -7.767 -4.400 1.00 0.00 C ATOM 510 CG GLU A 110 8.123 -6.857 -5.614 1.00 0.00 C ATOM 511 CD GLU A 110 7.974 -7.678 -6.896 1.00 0.00 C ATOM 512 OE1 GLU A 110 8.529 -8.765 -6.947 1.00 0.00 O ATOM 513 OE2 GLU A 110 7.307 -7.208 -7.803 1.00 0.00 O ATOM 0 H GLU A 110 6.566 -9.556 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 110 5.888 -7.021 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.402 -7.328 -3.522 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.408 -8.730 -4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.390 -6.050 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 110 9.109 -6.393 -5.579 1.00 0.00 H new ATOM 520 N SER A 111 4.594 -8.690 -5.559 1.00 0.00 N ATOM 521 CA SER A 111 3.931 -9.591 -6.549 1.00 0.00 C ATOM 522 C SER A 111 4.084 -9.032 -7.971 1.00 0.00 C ATOM 523 O SER A 111 4.908 -9.494 -8.737 1.00 0.00 O ATOM 524 CB SER A 111 2.460 -9.619 -6.126 1.00 0.00 C ATOM 525 OG SER A 111 1.682 -10.194 -7.167 1.00 0.00 O ATOM 0 H SER A 111 4.020 -7.914 -5.229 1.00 0.00 H new ATOM 0 HA SER A 111 4.370 -10.589 -6.563 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.345 -10.197 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.112 -8.608 -5.912 1.00 0.00 H new ATOM 0 HG SER A 111 0.740 -10.215 -6.898 1.00 0.00 H new ATOM 531 N GLY A 112 3.299 -8.043 -8.326 1.00 0.00 N ATOM 532 CA GLY A 112 3.398 -7.452 -9.697 1.00 0.00 C ATOM 533 C GLY A 112 2.285 -6.420 -9.884 1.00 0.00 C ATOM 534 O GLY A 112 2.502 -5.229 -9.750 1.00 0.00 O ATOM 0 H GLY A 112 2.593 -7.619 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.372 -6.982 -9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.314 -8.235 -10.450 1.00 0.00 H new ATOM 538 N GLU A 113 1.094 -6.870 -10.177 1.00 0.00 N ATOM 539 CA GLU A 113 -0.045 -5.922 -10.358 1.00 0.00 C ATOM 540 C GLU A 113 -0.823 -5.745 -9.038 1.00 0.00 C ATOM 541 O GLU A 113 -1.698 -4.906 -8.937 1.00 0.00 O ATOM 542 CB GLU A 113 -0.930 -6.567 -11.434 1.00 0.00 C ATOM 543 CG GLU A 113 -1.446 -7.932 -10.953 1.00 0.00 C ATOM 544 CD GLU A 113 -0.761 -9.055 -11.738 1.00 0.00 C ATOM 545 OE1 GLU A 113 0.428 -8.937 -11.986 1.00 0.00 O ATOM 546 OE2 GLU A 113 -1.437 -10.011 -12.077 1.00 0.00 O ATOM 0 H GLU A 113 0.860 -7.855 -10.299 1.00 0.00 H new ATOM 0 HA GLU A 113 0.291 -4.927 -10.650 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.771 -5.913 -11.663 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -0.362 -6.690 -12.356 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.250 -8.050 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.526 -7.990 -11.087 1.00 0.00 H new ATOM 553 N TRP A 114 -0.519 -6.539 -8.034 1.00 0.00 N ATOM 554 CA TRP A 114 -1.240 -6.430 -6.728 1.00 0.00 C ATOM 555 C TRP A 114 -0.268 -6.686 -5.566 1.00 0.00 C ATOM 556 O TRP A 114 0.002 -7.822 -5.223 1.00 0.00 O ATOM 557 CB TRP A 114 -2.306 -7.529 -6.776 1.00 0.00 C ATOM 558 CG TRP A 114 -3.546 -7.006 -7.427 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.974 -7.341 -8.667 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.527 -6.069 -6.896 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.154 -6.669 -8.930 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.537 -5.873 -7.867 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.638 -5.377 -5.676 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.617 -5.022 -7.637 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -5.725 -4.520 -5.442 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.713 -4.343 -6.420 1.00 0.00 C ATOM 0 H TRP A 114 0.202 -7.260 -8.067 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.673 -5.441 -6.575 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -1.929 -8.389 -7.329 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.532 -7.873 -5.767 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.475 -8.022 -9.341 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.677 -6.751 -9.802 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.883 -5.506 -4.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.375 -4.889 -8.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -5.800 -3.994 -4.502 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.547 -3.683 -6.233 1.00 0.00 H new ATOM 577 N TRP A 115 0.268 -5.648 -4.961 1.00 0.00 N ATOM 578 CA TRP A 115 1.234 -5.858 -3.827 1.00 0.00 C ATOM 579 C TRP A 115 0.515 -5.775 -2.479 1.00 0.00 C ATOM 580 O TRP A 115 -0.525 -5.158 -2.354 1.00 0.00 O ATOM 581 CB TRP A 115 2.259 -4.713 -3.903 1.00 0.00 C ATOM 582 CG TRP A 115 2.830 -4.561 -5.281 1.00 0.00 C ATOM 583 CD1 TRP A 115 3.002 -5.556 -6.185 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.321 -3.345 -5.916 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.564 -5.023 -7.332 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.776 -3.664 -7.216 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.409 -2.007 -5.491 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.302 -2.690 -8.066 1.00 0.00 C ATOM 589 CZ3 TRP A 115 3.938 -1.024 -6.343 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.383 -1.365 -7.628 1.00 0.00 C ATOM 0 H TRP A 115 0.082 -4.674 -5.199 1.00 0.00 H new ATOM 0 HA TRP A 115 1.701 -6.840 -3.908 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.783 -3.780 -3.603 1.00 0.00 H new ATOM 0 HB3 TRP A 115 3.066 -4.901 -3.195 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.743 -6.594 -6.035 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.794 -5.569 -8.163 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.068 -1.734 -4.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.644 -2.958 -9.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.002 0.000 -6.007 1.00 0.00 H new ATOM 0 HH2 TRP A 115 4.788 -0.604 -8.279 1.00 0.00 H new ATOM 601 N LYS A 116 1.096 -6.360 -1.461 1.00 0.00 N ATOM 602 CA LYS A 116 0.483 -6.301 -0.095 1.00 0.00 C ATOM 603 C LYS A 116 1.235 -5.256 0.739 1.00 0.00 C ATOM 604 O LYS A 116 2.432 -5.356 0.897 1.00 0.00 O ATOM 605 CB LYS A 116 0.689 -7.702 0.492 1.00 0.00 C ATOM 606 CG LYS A 116 -0.577 -8.144 1.230 1.00 0.00 C ATOM 607 CD LYS A 116 -0.238 -9.293 2.183 1.00 0.00 C ATOM 608 CE LYS A 116 -1.311 -9.392 3.276 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.729 -10.824 3.280 1.00 0.00 N ATOM 0 H LYS A 116 1.973 -6.879 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.571 -6.024 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.923 -8.409 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.538 -7.699 1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -0.997 -7.307 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.335 -8.462 0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.180 -10.231 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.740 -9.127 2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -0.914 -9.094 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.154 -8.736 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -2.462 -10.970 4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.109 -11.077 2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.908 -11.425 3.494 1.00 0.00 H new ATOM 623 N ALA A 117 0.562 -4.252 1.261 1.00 0.00 N ATOM 624 CA ALA A 117 1.287 -3.209 2.058 1.00 0.00 C ATOM 625 C ALA A 117 0.588 -2.903 3.397 1.00 0.00 C ATOM 626 O ALA A 117 -0.587 -3.165 3.581 1.00 0.00 O ATOM 627 CB ALA A 117 1.279 -1.970 1.167 1.00 0.00 C ATOM 0 H ALA A 117 -0.444 -4.112 1.171 1.00 0.00 H new ATOM 0 HA ALA A 117 2.290 -3.544 2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.792 -1.153 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.790 -2.192 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.250 -1.678 0.959 1.00 0.00 H new ATOM 633 N ARG A 118 1.320 -2.333 4.331 1.00 0.00 N ATOM 634 CA ARG A 118 0.739 -1.987 5.655 1.00 0.00 C ATOM 635 C ARG A 118 0.691 -0.463 5.823 1.00 0.00 C ATOM 636 O ARG A 118 1.695 0.214 5.726 1.00 0.00 O ATOM 637 CB ARG A 118 1.695 -2.619 6.680 1.00 0.00 C ATOM 638 CG ARG A 118 1.286 -2.237 8.112 1.00 0.00 C ATOM 639 CD ARG A 118 2.528 -1.830 8.917 1.00 0.00 C ATOM 640 NE ARG A 118 2.093 -1.849 10.352 1.00 0.00 N ATOM 641 CZ ARG A 118 2.966 -1.715 11.333 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.235 -1.472 11.097 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.559 -1.814 12.570 1.00 0.00 N ATOM 0 H ARG A 118 2.306 -2.094 4.222 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.282 -2.351 5.774 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.687 -3.704 6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.715 -2.286 6.487 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.571 -1.415 8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.788 -3.078 8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.352 -2.523 8.746 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.879 -0.840 8.625 1.00 0.00 H new ATOM 0 HE ARG A 118 1.105 -1.968 10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.567 -1.382 10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 118 4.888 -1.373 11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.575 -1.993 12.770 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.225 -1.712 13.336 1.00 0.00 H new ATOM 657 N SER A 119 -0.472 0.068 6.096 1.00 0.00 N ATOM 658 CA SER A 119 -0.602 1.538 6.297 1.00 0.00 C ATOM 659 C SER A 119 -0.187 1.893 7.725 1.00 0.00 C ATOM 660 O SER A 119 -0.779 1.425 8.684 1.00 0.00 O ATOM 661 CB SER A 119 -2.082 1.845 6.078 1.00 0.00 C ATOM 662 OG SER A 119 -2.226 3.199 5.674 1.00 0.00 O ATOM 0 H SER A 119 -1.341 -0.458 6.188 1.00 0.00 H new ATOM 0 HA SER A 119 0.030 2.111 5.618 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.494 1.181 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.642 1.666 6.996 1.00 0.00 H new ATOM 0 HG SER A 119 -3.175 3.399 5.531 1.00 0.00 H new ATOM 668 N LEU A 120 0.829 2.708 7.867 1.00 0.00 N ATOM 669 CA LEU A 120 1.308 3.096 9.230 1.00 0.00 C ATOM 670 C LEU A 120 0.307 4.029 9.911 1.00 0.00 C ATOM 671 O LEU A 120 0.249 4.101 11.125 1.00 0.00 O ATOM 672 CB LEU A 120 2.642 3.811 8.998 1.00 0.00 C ATOM 673 CG LEU A 120 3.647 2.831 8.379 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.454 3.538 7.285 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.597 2.315 9.467 1.00 0.00 C ATOM 0 H LEU A 120 1.349 3.123 7.094 1.00 0.00 H new ATOM 0 HA LEU A 120 1.418 2.230 9.883 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.498 4.666 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.028 4.198 9.941 1.00 0.00 H new ATOM 0 HG LEU A 120 3.107 1.992 7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.166 2.838 6.848 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.778 3.899 6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.993 4.381 7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.311 1.619 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.134 3.154 9.909 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.022 1.805 10.240 1.00 0.00 H new ATOM 687 N ALA A 121 -0.488 4.740 9.146 1.00 0.00 N ATOM 688 CA ALA A 121 -1.500 5.660 9.763 1.00 0.00 C ATOM 689 C ALA A 121 -2.412 4.864 10.704 1.00 0.00 C ATOM 690 O ALA A 121 -2.943 5.387 11.665 1.00 0.00 O ATOM 691 CB ALA A 121 -2.301 6.233 8.593 1.00 0.00 C ATOM 0 H ALA A 121 -0.481 4.724 8.126 1.00 0.00 H new ATOM 0 HA ALA A 121 -1.036 6.452 10.351 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.061 6.916 8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.631 6.772 7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.782 5.420 8.049 1.00 0.00 H new ATOM 697 N THR A 122 -2.577 3.592 10.434 1.00 0.00 N ATOM 698 CA THR A 122 -3.429 2.733 11.305 1.00 0.00 C ATOM 699 C THR A 122 -2.751 1.370 11.545 1.00 0.00 C ATOM 700 O THR A 122 -3.354 0.462 12.084 1.00 0.00 O ATOM 701 CB THR A 122 -4.733 2.550 10.526 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.437 2.314 9.155 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.589 3.812 10.655 1.00 0.00 C ATOM 0 H THR A 122 -2.153 3.111 9.641 1.00 0.00 H new ATOM 0 HA THR A 122 -3.595 3.180 12.285 1.00 0.00 H new ATOM 0 HB THR A 122 -5.281 1.699 10.931 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.264 2.354 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.518 3.680 10.100 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.817 3.991 11.706 1.00 0.00 H new ATOM 0 HG23 THR A 122 -5.043 4.665 10.252 1.00 0.00 H new ATOM 711 N ARG A 123 -1.501 1.215 11.147 1.00 0.00 N ATOM 712 CA ARG A 123 -0.783 -0.091 11.342 1.00 0.00 C ATOM 713 C ARG A 123 -1.596 -1.247 10.756 1.00 0.00 C ATOM 714 O ARG A 123 -1.473 -2.379 11.188 1.00 0.00 O ATOM 715 CB ARG A 123 -0.633 -0.260 12.855 1.00 0.00 C ATOM 716 CG ARG A 123 0.286 0.836 13.409 1.00 0.00 C ATOM 717 CD ARG A 123 1.217 0.246 14.477 1.00 0.00 C ATOM 718 NE ARG A 123 1.014 1.094 15.709 1.00 0.00 N ATOM 719 CZ ARG A 123 1.208 2.397 15.713 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.747 3.010 14.687 1.00 0.00 N ATOM 721 NH2 ARG A 123 0.901 3.084 16.779 1.00 0.00 N ATOM 0 H ARG A 123 -0.948 1.942 10.694 1.00 0.00 H new ATOM 0 HA ARG A 123 0.183 -0.094 10.837 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.610 -0.206 13.335 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.220 -1.243 13.082 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.874 1.272 12.602 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.311 1.641 13.839 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.973 -0.798 14.676 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.256 0.274 14.149 1.00 0.00 H new ATOM 0 HE ARG A 123 0.715 0.640 16.572 1.00 0.00 H new ATOM 0 HH11 ARG A 123 2.026 2.477 13.863 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.888 4.020 14.713 1.00 0.00 H new ATOM 0 HH21 ARG A 123 0.516 2.612 17.597 1.00 0.00 H new ATOM 0 HH22 ARG A 123 1.047 4.093 16.795 1.00 0.00 H new ATOM 735 N LYS A 124 -2.402 -0.979 9.759 1.00 0.00 N ATOM 736 CA LYS A 124 -3.199 -2.076 9.131 1.00 0.00 C ATOM 737 C LYS A 124 -2.450 -2.588 7.910 1.00 0.00 C ATOM 738 O LYS A 124 -1.471 -2.004 7.504 1.00 0.00 O ATOM 739 CB LYS A 124 -4.527 -1.448 8.717 1.00 0.00 C ATOM 740 CG LYS A 124 -5.245 -0.895 9.949 1.00 0.00 C ATOM 741 CD LYS A 124 -6.631 -0.380 9.550 1.00 0.00 C ATOM 742 CE LYS A 124 -7.514 -0.259 10.795 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.877 -0.652 10.340 1.00 0.00 N ATOM 0 H LYS A 124 -2.542 -0.053 9.355 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.360 -2.914 9.808 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.353 -0.649 7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.153 -2.191 8.223 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -5.340 -1.673 10.707 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.660 -0.089 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.542 0.589 9.060 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -7.089 -1.060 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.161 -0.911 11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -7.507 0.758 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.540 -0.594 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.189 -0.010 9.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.855 -1.627 9.979 1.00 0.00 H new ATOM 757 N GLU A 125 -2.898 -3.660 7.321 1.00 0.00 N ATOM 758 CA GLU A 125 -2.186 -4.197 6.118 1.00 0.00 C ATOM 759 C GLU A 125 -3.109 -5.023 5.236 1.00 0.00 C ATOM 760 O GLU A 125 -4.060 -5.629 5.692 1.00 0.00 O ATOM 761 CB GLU A 125 -1.003 -5.052 6.623 1.00 0.00 C ATOM 762 CG GLU A 125 -1.363 -5.840 7.890 1.00 0.00 C ATOM 763 CD GLU A 125 -2.462 -6.857 7.576 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.169 -7.821 6.888 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.575 -6.660 8.036 1.00 0.00 O ATOM 0 H GLU A 125 -3.720 -4.188 7.614 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.832 -3.371 5.502 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.696 -5.745 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.150 -4.405 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.480 -6.352 8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.699 -5.157 8.670 1.00 0.00 H new ATOM 772 N GLY A 126 -2.808 -5.050 3.968 1.00 0.00 N ATOM 773 CA GLY A 126 -3.629 -5.830 3.011 1.00 0.00 C ATOM 774 C GLY A 126 -3.084 -5.615 1.603 1.00 0.00 C ATOM 775 O GLY A 126 -1.921 -5.327 1.427 1.00 0.00 O ATOM 0 H GLY A 126 -2.017 -4.557 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -3.603 -6.889 3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.671 -5.515 3.064 1.00 0.00 H new ATOM 779 N TYR A 127 -3.919 -5.739 0.607 1.00 0.00 N ATOM 780 CA TYR A 127 -3.452 -5.554 -0.808 1.00 0.00 C ATOM 781 C TYR A 127 -3.666 -4.101 -1.236 1.00 0.00 C ATOM 782 O TYR A 127 -4.527 -3.412 -0.720 1.00 0.00 O ATOM 783 CB TYR A 127 -4.330 -6.466 -1.694 1.00 0.00 C ATOM 784 CG TYR A 127 -4.647 -7.781 -1.012 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.684 -8.794 -0.942 1.00 0.00 C ATOM 786 CD2 TYR A 127 -5.911 -7.974 -0.451 1.00 0.00 C ATOM 787 CE1 TYR A 127 -3.991 -10.003 -0.305 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.219 -9.176 0.186 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.259 -10.194 0.259 1.00 0.00 C ATOM 790 OH TYR A 127 -5.562 -11.385 0.888 1.00 0.00 O ATOM 0 H TYR A 127 -4.909 -5.961 0.707 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.394 -5.799 -0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.259 -5.950 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -3.817 -6.660 -2.636 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -2.707 -8.644 -1.378 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.652 -7.191 -0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.251 -10.787 -0.249 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.196 -9.322 0.622 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.482 -11.352 1.225 1.00 0.00 H new ATOM 800 N ILE A 128 -2.876 -3.634 -2.166 1.00 0.00 N ATOM 801 CA ILE A 128 -3.012 -2.220 -2.635 1.00 0.00 C ATOM 802 C ILE A 128 -2.816 -2.139 -4.162 1.00 0.00 C ATOM 803 O ILE A 128 -1.876 -2.706 -4.685 1.00 0.00 O ATOM 804 CB ILE A 128 -1.917 -1.429 -1.901 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.553 -2.134 -2.045 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.291 -1.320 -0.421 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.512 -1.124 -2.476 1.00 0.00 C ATOM 0 H ILE A 128 -2.139 -4.171 -2.624 1.00 0.00 H new ATOM 0 HA ILE A 128 -4.002 -1.817 -2.423 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.837 -0.434 -2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.269 -2.593 -1.098 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.624 -2.936 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.520 -0.760 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.246 -0.803 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.374 -2.319 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.473 -1.629 -2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.231 -0.686 -3.434 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.592 -0.337 -1.726 1.00 0.00 H new ATOM 819 N PRO A 129 -3.712 -1.442 -4.845 1.00 0.00 N ATOM 820 CA PRO A 129 -3.606 -1.308 -6.328 1.00 0.00 C ATOM 821 C PRO A 129 -2.183 -0.919 -6.763 1.00 0.00 C ATOM 822 O PRO A 129 -1.817 0.240 -6.762 1.00 0.00 O ATOM 823 CB PRO A 129 -4.590 -0.194 -6.671 1.00 0.00 C ATOM 824 CG PRO A 129 -5.561 -0.140 -5.532 1.00 0.00 C ATOM 825 CD PRO A 129 -4.888 -0.730 -4.318 1.00 0.00 C ATOM 0 HA PRO A 129 -3.826 -2.246 -6.838 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.075 0.759 -6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -5.102 -0.400 -7.611 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.864 0.889 -5.338 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.465 -0.698 -5.775 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.596 0.047 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.555 -1.409 -3.787 1.00 0.00 H new ATOM 833 N SER A 130 -1.391 -1.891 -7.142 1.00 0.00 N ATOM 834 CA SER A 130 0.013 -1.608 -7.586 1.00 0.00 C ATOM 835 C SER A 130 0.042 -0.593 -8.737 1.00 0.00 C ATOM 836 O SER A 130 1.059 0.026 -8.992 1.00 0.00 O ATOM 837 CB SER A 130 0.556 -2.953 -8.069 1.00 0.00 C ATOM 838 OG SER A 130 0.678 -3.837 -6.962 1.00 0.00 O ATOM 0 H SER A 130 -1.657 -2.876 -7.164 1.00 0.00 H new ATOM 0 HA SER A 130 0.604 -1.180 -6.777 1.00 0.00 H new ATOM 0 HB2 SER A 130 -0.112 -3.380 -8.818 1.00 0.00 H new ATOM 0 HB3 SER A 130 1.526 -2.816 -8.548 1.00 0.00 H new ATOM 0 HG SER A 130 1.608 -4.137 -6.884 1.00 0.00 H new ATOM 844 N ASN A 131 -1.053 -0.427 -9.442 1.00 0.00 N ATOM 845 CA ASN A 131 -1.069 0.545 -10.584 1.00 0.00 C ATOM 846 C ASN A 131 -1.483 1.951 -10.117 1.00 0.00 C ATOM 847 O ASN A 131 -1.866 2.784 -10.917 1.00 0.00 O ATOM 848 CB ASN A 131 -2.081 -0.012 -11.592 1.00 0.00 C ATOM 849 CG ASN A 131 -3.455 -0.165 -10.934 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.687 -1.105 -10.199 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.384 0.719 -11.175 1.00 0.00 N ATOM 0 H ASN A 131 -1.931 -0.919 -9.278 1.00 0.00 H new ATOM 0 HA ASN A 131 -0.077 0.650 -11.024 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.154 0.655 -12.451 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.739 -0.977 -11.966 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.305 0.621 -10.747 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.190 1.508 -11.792 1.00 0.00 H new ATOM 858 N TYR A 132 -1.402 2.223 -8.836 1.00 0.00 N ATOM 859 CA TYR A 132 -1.771 3.583 -8.322 1.00 0.00 C ATOM 860 C TYR A 132 -0.888 3.933 -7.121 1.00 0.00 C ATOM 861 O TYR A 132 -1.321 4.594 -6.194 1.00 0.00 O ATOM 862 CB TYR A 132 -3.227 3.484 -7.866 1.00 0.00 C ATOM 863 CG TYR A 132 -4.169 3.696 -9.035 1.00 0.00 C ATOM 864 CD1 TYR A 132 -4.007 4.800 -9.880 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.214 2.796 -9.259 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.885 5.001 -10.948 1.00 0.00 C ATOM 867 CE2 TYR A 132 -6.097 2.999 -10.326 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.934 4.102 -11.172 1.00 0.00 C ATOM 869 OH TYR A 132 -6.810 4.303 -12.225 1.00 0.00 O ATOM 0 H TYR A 132 -1.096 1.562 -8.122 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.637 4.349 -9.085 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.408 2.506 -7.419 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.423 4.228 -7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.201 5.498 -9.706 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.341 1.943 -8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.754 5.851 -11.601 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.905 2.303 -10.497 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.477 3.585 -12.237 1.00 0.00 H new ATOM 879 N VAL A 133 0.340 3.482 -7.120 1.00 0.00 N ATOM 880 CA VAL A 133 1.239 3.773 -5.966 1.00 0.00 C ATOM 881 C VAL A 133 2.684 3.941 -6.429 1.00 0.00 C ATOM 882 O VAL A 133 3.038 3.623 -7.548 1.00 0.00 O ATOM 883 CB VAL A 133 1.094 2.557 -5.038 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.444 1.271 -5.790 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.016 2.693 -3.824 1.00 0.00 C ATOM 0 H VAL A 133 0.757 2.926 -7.867 1.00 0.00 H new ATOM 0 HA VAL A 133 0.974 4.703 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 133 0.059 2.512 -4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.337 0.417 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.772 1.152 -6.640 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.473 1.326 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.899 1.822 -3.179 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.051 2.760 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.756 3.594 -3.268 1.00 0.00 H new ATOM 895 N ALA A 134 3.513 4.432 -5.554 1.00 0.00 N ATOM 896 CA ALA A 134 4.956 4.628 -5.894 1.00 0.00 C ATOM 897 C ALA A 134 5.828 4.035 -4.782 1.00 0.00 C ATOM 898 O ALA A 134 5.726 4.425 -3.633 1.00 0.00 O ATOM 899 CB ALA A 134 5.146 6.147 -5.983 1.00 0.00 C ATOM 0 H ALA A 134 3.254 4.710 -4.607 1.00 0.00 H new ATOM 0 HA ALA A 134 5.239 4.136 -6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.184 6.370 -6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.494 6.550 -6.758 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.895 6.602 -5.025 1.00 0.00 H new ATOM 905 N ARG A 135 6.663 3.075 -5.103 1.00 0.00 N ATOM 906 CA ARG A 135 7.510 2.442 -4.062 1.00 0.00 C ATOM 907 C ARG A 135 8.836 3.185 -3.870 1.00 0.00 C ATOM 908 O ARG A 135 9.581 3.418 -4.801 1.00 0.00 O ATOM 909 CB ARG A 135 7.764 1.016 -4.563 1.00 0.00 C ATOM 910 CG ARG A 135 8.624 0.277 -3.538 1.00 0.00 C ATOM 911 CD ARG A 135 8.200 -1.190 -3.438 1.00 0.00 C ATOM 912 NE ARG A 135 8.543 -1.787 -4.766 1.00 0.00 N ATOM 913 CZ ARG A 135 8.598 -3.093 -4.938 1.00 0.00 C ATOM 914 NH1 ARG A 135 8.428 -3.925 -3.936 1.00 0.00 N ATOM 915 NH2 ARG A 135 8.847 -3.569 -6.128 1.00 0.00 N ATOM 0 H ARG A 135 6.789 2.707 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 135 7.015 2.462 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.818 0.494 -4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.267 1.040 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.674 0.339 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.530 0.756 -2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.726 -1.698 -2.630 1.00 0.00 H new ATOM 0 HD3 ARG A 135 7.134 -1.279 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 135 8.738 -1.171 -5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 135 8.249 -3.565 -2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 135 8.475 -4.931 -4.095 1.00 0.00 H new ATOM 0 HH21 ARG A 135 8.996 -2.932 -6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 135 8.892 -4.577 -6.275 1.00 0.00 H new