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 30:sc= -0.301 USER MOD Single : A 98 SER OG : rot 180:sc= 0.614 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.14) USER MOD Single : A 105 MET CE :methyl 179:sc= -1.67 (180deg=-1.69) USER MOD Single : A 111 SER OG : rot 180:sc= 0 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 180: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 -139:sc= 0.628 USER MOD Single : A 131 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.3!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.046 -1.314 1.027 1.00 0.00 N ATOM 40 CA ILE A 81 9.842 -1.549 0.181 1.00 0.00 C ATOM 41 C ILE A 81 8.656 -0.710 0.679 1.00 0.00 C ATOM 42 O ILE A 81 7.540 -1.178 0.724 1.00 0.00 O ATOM 43 CB ILE A 81 9.557 -3.065 0.232 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.044 -3.508 1.637 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.820 -3.840 -0.188 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.157 -4.102 2.526 1.00 0.00 C ATOM 0 HA ILE A 81 10.008 -1.239 -0.851 1.00 0.00 H new ATOM 0 HB ILE A 81 8.757 -3.296 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.602 -2.650 2.143 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.253 -4.247 1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.619 -4.911 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.100 -3.557 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.637 -3.601 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.738 -4.391 3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.583 -4.979 2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.937 -3.356 2.679 1.00 0.00 H new ATOM 58 N ILE A 82 8.883 0.538 1.027 1.00 0.00 N ATOM 59 CA ILE A 82 7.746 1.397 1.495 1.00 0.00 C ATOM 60 C ILE A 82 7.250 2.243 0.337 1.00 0.00 C ATOM 61 O ILE A 82 8.007 2.959 -0.281 1.00 0.00 O ATOM 62 CB ILE A 82 8.280 2.312 2.603 1.00 0.00 C ATOM 63 CG1 ILE A 82 9.078 1.497 3.626 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.100 3.012 3.296 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.670 2.424 4.692 1.00 0.00 C ATOM 0 H ILE A 82 9.795 0.994 1.008 1.00 0.00 H new ATOM 0 HA ILE A 82 6.925 0.784 1.866 1.00 0.00 H new ATOM 0 HB ILE A 82 8.941 3.059 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.431 0.756 4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.877 0.951 3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.476 3.664 4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.550 3.606 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.436 2.264 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.235 1.834 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.332 3.148 4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.865 2.950 5.204 1.00 0.00 H new ATOM 77 N VAL A 83 5.987 2.163 0.043 1.00 0.00 N ATOM 78 CA VAL A 83 5.433 2.963 -1.082 1.00 0.00 C ATOM 79 C VAL A 83 4.502 4.058 -0.550 1.00 0.00 C ATOM 80 O VAL A 83 4.165 4.090 0.620 1.00 0.00 O ATOM 81 CB VAL A 83 4.648 1.962 -1.943 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.580 0.855 -2.447 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.497 1.338 -1.127 1.00 0.00 C ATOM 0 H VAL A 83 5.311 1.577 0.533 1.00 0.00 H new ATOM 0 HA VAL A 83 6.217 3.462 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 83 4.229 2.495 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.013 0.151 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.376 1.295 -3.047 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.015 0.330 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.950 0.631 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.906 0.817 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.821 2.124 -0.792 1.00 0.00 H new ATOM 93 N VAL A 84 4.071 4.939 -1.412 1.00 0.00 N ATOM 94 CA VAL A 84 3.140 6.020 -0.985 1.00 0.00 C ATOM 95 C VAL A 84 1.928 6.034 -1.920 1.00 0.00 C ATOM 96 O VAL A 84 2.070 6.078 -3.130 1.00 0.00 O ATOM 97 CB VAL A 84 3.944 7.340 -1.058 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.124 7.808 -2.511 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.195 8.427 -0.290 1.00 0.00 C ATOM 0 H VAL A 84 4.326 4.955 -2.399 1.00 0.00 H new ATOM 0 HA VAL A 84 2.762 5.874 0.027 1.00 0.00 H new ATOM 0 HB VAL A 84 4.927 7.160 -0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.693 8.738 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.661 7.045 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.146 7.974 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.757 9.360 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.210 8.574 -0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.082 8.125 0.751 1.00 0.00 H new ATOM 109 N ALA A 85 0.750 5.989 -1.371 1.00 0.00 N ATOM 110 CA ALA A 85 -0.466 6.006 -2.226 1.00 0.00 C ATOM 111 C ALA A 85 -0.578 7.366 -2.897 1.00 0.00 C ATOM 112 O ALA A 85 -0.712 8.377 -2.226 1.00 0.00 O ATOM 113 CB ALA A 85 -1.635 5.797 -1.274 1.00 0.00 C ATOM 0 H ALA A 85 0.576 5.941 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.442 5.243 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.568 5.798 -1.838 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.521 4.841 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.654 6.602 -0.539 1.00 0.00 H new ATOM 119 N LEU A 86 -0.524 7.393 -4.208 1.00 0.00 N ATOM 120 CA LEU A 86 -0.617 8.688 -4.949 1.00 0.00 C ATOM 121 C LEU A 86 -2.057 8.978 -5.384 1.00 0.00 C ATOM 122 O LEU A 86 -2.311 9.954 -6.061 1.00 0.00 O ATOM 123 CB LEU A 86 0.270 8.499 -6.181 1.00 0.00 C ATOM 124 CG LEU A 86 1.741 8.494 -5.762 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.609 8.087 -6.957 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.148 9.896 -5.278 1.00 0.00 C ATOM 0 H LEU A 86 -0.419 6.568 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.305 9.527 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.021 7.562 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.089 9.300 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 86 1.884 7.781 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.658 8.083 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.323 7.090 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.465 8.798 -7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.197 9.888 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.005 10.615 -6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.531 10.180 -4.425 1.00 0.00 H new ATOM 138 N TYR A 87 -3.002 8.150 -5.001 1.00 0.00 N ATOM 139 CA TYR A 87 -4.431 8.399 -5.380 1.00 0.00 C ATOM 140 C TYR A 87 -5.331 7.781 -4.307 1.00 0.00 C ATOM 141 O TYR A 87 -4.964 6.811 -3.668 1.00 0.00 O ATOM 142 CB TYR A 87 -4.674 7.711 -6.738 1.00 0.00 C ATOM 143 CG TYR A 87 -3.586 8.052 -7.729 1.00 0.00 C ATOM 144 CD1 TYR A 87 -3.706 9.180 -8.550 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.455 7.232 -7.823 1.00 0.00 C ATOM 146 CE1 TYR A 87 -2.691 9.487 -9.466 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.441 7.538 -8.738 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.558 8.666 -9.560 1.00 0.00 C ATOM 149 OH TYR A 87 -0.558 8.968 -10.463 1.00 0.00 O ATOM 0 H TYR A 87 -2.845 7.312 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.649 9.464 -5.456 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.716 6.631 -6.598 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.641 8.019 -7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.579 9.812 -8.477 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.365 6.362 -7.189 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.781 10.357 -10.100 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.569 6.905 -8.810 1.00 0.00 H new ATOM 0 HH TYR A 87 0.155 8.298 -10.398 1.00 0.00 H new ATOM 159 N ASP A 88 -6.495 8.338 -4.092 1.00 0.00 N ATOM 160 CA ASP A 88 -7.404 7.784 -3.047 1.00 0.00 C ATOM 161 C ASP A 88 -7.913 6.408 -3.482 1.00 0.00 C ATOM 162 O ASP A 88 -8.120 6.164 -4.656 1.00 0.00 O ATOM 163 CB ASP A 88 -8.565 8.775 -2.941 1.00 0.00 C ATOM 164 CG ASP A 88 -8.107 10.024 -2.184 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.619 9.876 -1.076 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.253 11.108 -2.726 1.00 0.00 O ATOM 0 H ASP A 88 -6.854 9.150 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.900 7.659 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.915 9.049 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.405 8.312 -2.424 1.00 0.00 H new ATOM 171 N TYR A 89 -8.122 5.505 -2.551 1.00 0.00 N ATOM 172 CA TYR A 89 -8.630 4.149 -2.933 1.00 0.00 C ATOM 173 C TYR A 89 -9.404 3.504 -1.780 1.00 0.00 C ATOM 174 O TYR A 89 -9.075 3.674 -0.623 1.00 0.00 O ATOM 175 CB TYR A 89 -7.388 3.316 -3.272 1.00 0.00 C ATOM 176 CG TYR A 89 -7.842 1.970 -3.791 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.494 1.885 -5.028 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.644 0.814 -3.021 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.950 0.646 -5.495 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.096 -0.427 -3.490 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.752 -0.511 -4.727 1.00 0.00 C ATOM 182 OH TYR A 89 -9.207 -1.728 -5.188 1.00 0.00 O ATOM 0 H TYR A 89 -7.964 5.647 -1.553 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.319 4.212 -3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.782 3.826 -4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.763 3.190 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.645 2.775 -5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.143 0.880 -2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.455 0.581 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.939 -1.318 -2.900 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.194 -1.732 -6.168 1.00 0.00 H new ATOM 192 N GLU A 90 -10.431 2.757 -2.106 1.00 0.00 N ATOM 193 CA GLU A 90 -11.251 2.076 -1.057 1.00 0.00 C ATOM 194 C GLU A 90 -11.182 0.555 -1.237 1.00 0.00 C ATOM 195 O GLU A 90 -11.819 -0.003 -2.111 1.00 0.00 O ATOM 196 CB GLU A 90 -12.681 2.567 -1.288 1.00 0.00 C ATOM 197 CG GLU A 90 -12.803 4.025 -0.841 1.00 0.00 C ATOM 198 CD GLU A 90 -14.075 4.642 -1.434 1.00 0.00 C ATOM 199 OE1 GLU A 90 -14.465 4.231 -2.516 1.00 0.00 O ATOM 200 OE2 GLU A 90 -14.635 5.519 -0.797 1.00 0.00 O ATOM 0 H GLU A 90 -10.738 2.589 -3.064 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.897 2.300 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.941 2.477 -2.343 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.383 1.946 -0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.833 4.081 0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.928 4.589 -1.165 1.00 0.00 H new ATOM 207 N ALA A 91 -10.417 -0.116 -0.416 1.00 0.00 N ATOM 208 CA ALA A 91 -10.300 -1.608 -0.532 1.00 0.00 C ATOM 209 C ALA A 91 -11.684 -2.276 -0.435 1.00 0.00 C ATOM 210 O ALA A 91 -12.607 -1.725 0.133 1.00 0.00 O ATOM 211 CB ALA A 91 -9.420 -2.023 0.647 1.00 0.00 C ATOM 0 H ALA A 91 -9.865 0.302 0.333 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.878 -1.911 -1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.284 -3.104 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.449 -1.534 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.899 -1.727 1.580 1.00 0.00 H new ATOM 285 N ASP A 96 -7.863 -6.754 2.841 1.00 0.00 N ATOM 286 CA ASP A 96 -7.725 -5.499 2.023 1.00 0.00 C ATOM 287 C ASP A 96 -7.489 -4.255 2.903 1.00 0.00 C ATOM 288 O ASP A 96 -7.742 -4.270 4.093 1.00 0.00 O ATOM 289 CB ASP A 96 -9.056 -5.389 1.265 1.00 0.00 C ATOM 290 CG ASP A 96 -10.212 -5.168 2.259 1.00 0.00 C ATOM 291 OD1 ASP A 96 -10.170 -5.753 3.327 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.114 -4.413 1.941 1.00 0.00 O ATOM 0 HA ASP A 96 -6.863 -5.546 1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.013 -4.563 0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.231 -6.296 0.687 1.00 0.00 H new ATOM 297 N LEU A 97 -6.998 -3.193 2.318 1.00 0.00 N ATOM 298 CA LEU A 97 -6.729 -1.951 3.100 1.00 0.00 C ATOM 299 C LEU A 97 -6.927 -0.715 2.216 1.00 0.00 C ATOM 300 O LEU A 97 -6.413 -0.641 1.115 1.00 0.00 O ATOM 301 CB LEU A 97 -5.265 -2.074 3.533 1.00 0.00 C ATOM 302 CG LEU A 97 -4.881 -0.879 4.417 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.025 -1.360 5.591 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.080 0.130 3.590 1.00 0.00 C ATOM 0 H LEU A 97 -6.771 -3.133 1.325 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.401 -1.841 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.115 -3.005 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.619 -2.112 2.656 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.787 -0.407 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.754 -0.509 6.216 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.590 -2.080 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.120 -1.834 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.807 0.979 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.176 -0.347 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.686 0.477 2.753 1.00 0.00 H new ATOM 316 N SER A 98 -7.668 0.253 2.694 1.00 0.00 N ATOM 317 CA SER A 98 -7.905 1.486 1.889 1.00 0.00 C ATOM 318 C SER A 98 -6.897 2.567 2.273 1.00 0.00 C ATOM 319 O SER A 98 -6.424 2.614 3.394 1.00 0.00 O ATOM 320 CB SER A 98 -9.322 1.931 2.248 1.00 0.00 C ATOM 321 OG SER A 98 -10.213 0.840 2.068 1.00 0.00 O ATOM 0 H SER A 98 -8.119 0.241 3.609 1.00 0.00 H new ATOM 0 HA SER A 98 -7.792 1.306 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.357 2.278 3.281 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.623 2.769 1.620 1.00 0.00 H new ATOM 0 HG SER A 98 -11.123 1.120 2.299 1.00 0.00 H new ATOM 327 N PHE A 99 -6.575 3.439 1.353 1.00 0.00 N ATOM 328 CA PHE A 99 -5.601 4.533 1.665 1.00 0.00 C ATOM 329 C PHE A 99 -6.018 5.837 0.970 1.00 0.00 C ATOM 330 O PHE A 99 -7.131 5.961 0.484 1.00 0.00 O ATOM 331 CB PHE A 99 -4.230 4.035 1.168 1.00 0.00 C ATOM 332 CG PHE A 99 -4.314 3.480 -0.243 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.345 4.353 -1.335 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.338 2.093 -0.458 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.403 3.847 -2.640 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.393 1.586 -1.765 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.425 2.465 -2.857 1.00 0.00 C ATOM 0 H PHE A 99 -6.942 3.443 0.401 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.566 4.755 2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.513 4.855 1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.857 3.263 1.841 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.324 5.420 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.314 1.416 0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.431 4.525 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.411 0.519 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.467 2.076 -3.864 1.00 0.00 H new ATOM 347 N GLN A 100 -5.147 6.819 0.945 1.00 0.00 N ATOM 348 CA GLN A 100 -5.511 8.124 0.313 1.00 0.00 C ATOM 349 C GLN A 100 -4.506 8.543 -0.766 1.00 0.00 C ATOM 350 O GLN A 100 -3.561 7.846 -1.075 1.00 0.00 O ATOM 351 CB GLN A 100 -5.525 9.140 1.459 1.00 0.00 C ATOM 352 CG GLN A 100 -6.642 8.783 2.442 1.00 0.00 C ATOM 353 CD GLN A 100 -6.938 9.987 3.340 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.034 10.614 3.853 1.00 0.00 O ATOM 355 NE2 GLN A 100 -8.177 10.339 3.550 1.00 0.00 N ATOM 0 H GLN A 100 -4.205 6.772 1.333 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.474 8.055 -0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.562 9.141 1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.679 10.145 1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.541 8.493 1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.347 7.927 3.049 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.937 9.812 3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.386 11.141 4.145 1.00 0.00 H new ATOM 364 N LYS A 101 -4.761 9.674 -1.363 1.00 0.00 N ATOM 365 CA LYS A 101 -3.897 10.200 -2.471 1.00 0.00 C ATOM 366 C LYS A 101 -2.451 10.471 -2.074 1.00 0.00 C ATOM 367 O LYS A 101 -1.582 10.577 -2.918 1.00 0.00 O ATOM 368 CB LYS A 101 -4.565 11.495 -2.885 1.00 0.00 C ATOM 369 CG LYS A 101 -3.968 11.960 -4.200 1.00 0.00 C ATOM 370 CD LYS A 101 -5.036 12.710 -4.994 1.00 0.00 C ATOM 371 CE LYS A 101 -6.061 11.712 -5.537 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.267 12.529 -5.858 1.00 0.00 N ATOM 0 H LYS A 101 -5.551 10.274 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.823 9.455 -3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.640 11.347 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.422 12.255 -2.117 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.111 12.608 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.605 11.106 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.529 13.444 -4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.576 13.259 -5.816 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.683 11.202 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.291 10.943 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.014 11.912 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.609 12.997 -4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.020 13.248 -6.567 1.00 0.00 H new ATOM 386 N GLY A 102 -2.197 10.617 -0.822 1.00 0.00 N ATOM 387 CA GLY A 102 -0.806 10.912 -0.362 1.00 0.00 C ATOM 388 C GLY A 102 -0.507 10.117 0.903 1.00 0.00 C ATOM 389 O GLY A 102 0.091 10.621 1.834 1.00 0.00 O ATOM 0 H GLY A 102 -2.891 10.547 -0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.091 10.654 -1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.695 11.979 -0.168 1.00 0.00 H new ATOM 393 N ASP A 103 -0.924 8.879 0.943 1.00 0.00 N ATOM 394 CA ASP A 103 -0.665 8.043 2.177 1.00 0.00 C ATOM 395 C ASP A 103 0.653 7.268 2.091 1.00 0.00 C ATOM 396 O ASP A 103 1.225 7.108 1.039 1.00 0.00 O ATOM 397 CB ASP A 103 -1.847 7.081 2.310 1.00 0.00 C ATOM 398 CG ASP A 103 -2.943 7.712 3.184 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.867 8.904 3.448 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.842 6.988 3.578 1.00 0.00 O ATOM 0 H ASP A 103 -1.427 8.406 0.192 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.573 8.690 3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.247 6.845 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.514 6.142 2.752 1.00 0.00 H new ATOM 405 N GLN A 104 1.115 6.762 3.206 1.00 0.00 N ATOM 406 CA GLN A 104 2.374 5.969 3.219 1.00 0.00 C ATOM 407 C GLN A 104 2.101 4.560 3.732 1.00 0.00 C ATOM 408 O GLN A 104 1.482 4.368 4.763 1.00 0.00 O ATOM 409 CB GLN A 104 3.322 6.704 4.168 1.00 0.00 C ATOM 410 CG GLN A 104 4.168 7.711 3.381 1.00 0.00 C ATOM 411 CD GLN A 104 5.602 7.689 3.918 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.167 8.720 4.229 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.215 6.542 4.042 1.00 0.00 N ATOM 0 H GLN A 104 0.666 6.868 4.116 1.00 0.00 H new ATOM 0 HA GLN A 104 2.801 5.875 2.220 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.751 7.220 4.940 1.00 0.00 H new ATOM 0 HB3 GLN A 104 3.970 5.989 4.675 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.160 7.461 2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.746 8.712 3.476 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.739 5.679 3.781 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.169 6.510 4.400 1.00 0.00 H new ATOM 422 N MET A 105 2.569 3.577 3.017 1.00 0.00 N ATOM 423 CA MET A 105 2.362 2.165 3.438 1.00 0.00 C ATOM 424 C MET A 105 3.643 1.377 3.200 1.00 0.00 C ATOM 425 O MET A 105 4.433 1.709 2.336 1.00 0.00 O ATOM 426 CB MET A 105 1.230 1.643 2.548 1.00 0.00 C ATOM 427 CG MET A 105 -0.090 2.339 2.920 1.00 0.00 C ATOM 428 SD MET A 105 -0.572 3.506 1.618 1.00 0.00 S ATOM 429 CE MET A 105 -1.225 2.289 0.448 1.00 0.00 C ATOM 0 H MET A 105 3.092 3.693 2.149 1.00 0.00 H new ATOM 0 HA MET A 105 2.112 2.071 4.495 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.465 1.827 1.500 1.00 0.00 H new ATOM 0 HB3 MET A 105 1.129 0.564 2.668 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.875 1.595 3.061 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.023 2.866 3.867 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.600 2.801 -0.438 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.432 1.599 0.160 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.037 1.733 0.917 1.00 0.00 H new ATOM 439 N VAL A 106 3.852 0.337 3.955 1.00 0.00 N ATOM 440 CA VAL A 106 5.077 -0.487 3.765 1.00 0.00 C ATOM 441 C VAL A 106 4.682 -1.723 2.975 1.00 0.00 C ATOM 442 O VAL A 106 3.557 -2.162 3.046 1.00 0.00 O ATOM 443 CB VAL A 106 5.555 -0.894 5.165 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.926 -1.563 5.067 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.662 0.335 6.080 1.00 0.00 C ATOM 0 H VAL A 106 3.227 0.021 4.697 1.00 0.00 H new ATOM 0 HA VAL A 106 5.864 0.049 3.234 1.00 0.00 H new ATOM 0 HB VAL A 106 4.829 -1.589 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.262 -1.851 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.854 -2.450 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.641 -0.866 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.002 0.025 7.068 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.374 1.043 5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.685 0.811 6.166 1.00 0.00 H new ATOM 455 N VAL A 107 5.580 -2.298 2.238 1.00 0.00 N ATOM 456 CA VAL A 107 5.214 -3.519 1.459 1.00 0.00 C ATOM 457 C VAL A 107 5.596 -4.772 2.250 1.00 0.00 C ATOM 458 O VAL A 107 6.640 -4.852 2.866 1.00 0.00 O ATOM 459 CB VAL A 107 5.968 -3.432 0.123 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.728 -4.705 -0.699 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.450 -2.226 -0.664 1.00 0.00 C ATOM 0 H VAL A 107 6.545 -1.985 2.137 1.00 0.00 H new ATOM 0 HA VAL A 107 4.141 -3.579 1.275 1.00 0.00 H new ATOM 0 HB VAL A 107 7.035 -3.326 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.266 -4.635 -1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.085 -5.571 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.662 -4.815 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.980 -2.157 -1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.383 -2.345 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.618 -1.316 -0.088 1.00 0.00 H new ATOM 471 N LEU A 108 4.746 -5.748 2.209 1.00 0.00 N ATOM 472 CA LEU A 108 4.997 -7.032 2.916 1.00 0.00 C ATOM 473 C LEU A 108 5.542 -8.054 1.906 1.00 0.00 C ATOM 474 O LEU A 108 6.269 -8.966 2.248 1.00 0.00 O ATOM 475 CB LEU A 108 3.607 -7.472 3.401 1.00 0.00 C ATOM 476 CG LEU A 108 3.180 -6.682 4.646 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.391 -5.447 4.228 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.290 -7.571 5.526 1.00 0.00 C ATOM 0 H LEU A 108 3.862 -5.712 1.702 1.00 0.00 H new ATOM 0 HA LEU A 108 5.715 -6.944 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.877 -7.324 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.619 -8.538 3.629 1.00 0.00 H new ATOM 0 HG LEU A 108 4.067 -6.375 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.090 -4.890 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.014 -4.814 3.596 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.504 -5.753 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.983 -7.015 6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.407 -7.872 4.963 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.847 -8.458 5.829 1.00 0.00 H new ATOM 490 N GLU A 109 5.188 -7.884 0.654 1.00 0.00 N ATOM 491 CA GLU A 109 5.656 -8.806 -0.422 1.00 0.00 C ATOM 492 C GLU A 109 5.605 -8.069 -1.769 1.00 0.00 C ATOM 493 O GLU A 109 4.893 -7.093 -1.912 1.00 0.00 O ATOM 494 CB GLU A 109 4.667 -9.975 -0.409 1.00 0.00 C ATOM 495 CG GLU A 109 5.063 -10.970 0.685 1.00 0.00 C ATOM 496 CD GLU A 109 4.327 -12.295 0.466 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.187 -12.691 -0.680 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.915 -12.890 1.448 1.00 0.00 O ATOM 0 H GLU A 109 4.583 -7.130 0.330 1.00 0.00 H new ATOM 0 HA GLU A 109 6.679 -9.150 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.656 -9.608 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.661 -10.470 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.140 -11.134 0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.817 -10.564 1.666 1.00 0.00 H new ATOM 505 N GLU A 110 6.336 -8.528 -2.757 1.00 0.00 N ATOM 506 CA GLU A 110 6.307 -7.845 -4.097 1.00 0.00 C ATOM 507 C GLU A 110 5.638 -8.753 -5.141 1.00 0.00 C ATOM 508 O GLU A 110 6.217 -9.722 -5.593 1.00 0.00 O ATOM 509 CB GLU A 110 7.778 -7.601 -4.457 1.00 0.00 C ATOM 510 CG GLU A 110 8.260 -6.295 -3.811 1.00 0.00 C ATOM 511 CD GLU A 110 9.109 -5.500 -4.809 1.00 0.00 C ATOM 512 OE1 GLU A 110 10.299 -5.761 -4.884 1.00 0.00 O ATOM 513 OE2 GLU A 110 8.556 -4.643 -5.478 1.00 0.00 O ATOM 0 H GLU A 110 6.949 -9.341 -2.698 1.00 0.00 H new ATOM 0 HA GLU A 110 5.738 -6.916 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.390 -8.435 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.893 -7.546 -5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.404 -5.699 -3.493 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.845 -6.515 -2.918 1.00 0.00 H new ATOM 520 N SER A 111 4.417 -8.447 -5.519 1.00 0.00 N ATOM 521 CA SER A 111 3.699 -9.294 -6.525 1.00 0.00 C ATOM 522 C SER A 111 3.580 -8.567 -7.879 1.00 0.00 C ATOM 523 O SER A 111 4.414 -7.755 -8.231 1.00 0.00 O ATOM 524 CB SER A 111 2.318 -9.533 -5.912 1.00 0.00 C ATOM 525 OG SER A 111 1.822 -10.790 -6.352 1.00 0.00 O ATOM 0 H SER A 111 3.888 -7.647 -5.173 1.00 0.00 H new ATOM 0 HA SER A 111 4.228 -10.225 -6.730 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.382 -9.515 -4.824 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.634 -8.736 -6.205 1.00 0.00 H new ATOM 0 HG SER A 111 0.938 -10.948 -5.960 1.00 0.00 H new ATOM 531 N GLY A 112 2.556 -8.875 -8.647 1.00 0.00 N ATOM 532 CA GLY A 112 2.382 -8.232 -9.985 1.00 0.00 C ATOM 533 C GLY A 112 1.669 -6.883 -9.854 1.00 0.00 C ATOM 534 O GLY A 112 2.245 -5.911 -9.407 1.00 0.00 O ATOM 0 H GLY A 112 1.832 -9.549 -8.398 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.356 -8.089 -10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.807 -8.890 -10.637 1.00 0.00 H new ATOM 538 N GLU A 113 0.424 -6.816 -10.260 1.00 0.00 N ATOM 539 CA GLU A 113 -0.330 -5.523 -10.179 1.00 0.00 C ATOM 540 C GLU A 113 -0.978 -5.332 -8.798 1.00 0.00 C ATOM 541 O GLU A 113 -1.568 -4.303 -8.524 1.00 0.00 O ATOM 542 CB GLU A 113 -1.403 -5.614 -11.274 1.00 0.00 C ATOM 543 CG GLU A 113 -2.324 -6.812 -11.021 1.00 0.00 C ATOM 544 CD GLU A 113 -3.676 -6.559 -11.688 1.00 0.00 C ATOM 545 OE1 GLU A 113 -3.690 -6.324 -12.886 1.00 0.00 O ATOM 546 OE2 GLU A 113 -4.676 -6.601 -10.990 1.00 0.00 O ATOM 0 H GLU A 113 -0.103 -7.600 -10.644 1.00 0.00 H new ATOM 0 HA GLU A 113 0.331 -4.668 -10.320 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.989 -4.695 -11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -0.928 -5.712 -12.250 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.874 -7.722 -11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.457 -6.964 -9.950 1.00 0.00 H new ATOM 553 N TRP A 114 -0.879 -6.311 -7.931 1.00 0.00 N ATOM 554 CA TRP A 114 -1.487 -6.191 -6.572 1.00 0.00 C ATOM 555 C TRP A 114 -0.446 -6.508 -5.497 1.00 0.00 C ATOM 556 O TRP A 114 -0.091 -7.654 -5.294 1.00 0.00 O ATOM 557 CB TRP A 114 -2.606 -7.234 -6.537 1.00 0.00 C ATOM 558 CG TRP A 114 -3.896 -6.630 -6.996 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.540 -6.946 -8.145 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.717 -5.627 -6.330 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.701 -6.197 -8.227 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.855 -5.370 -7.132 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.586 -4.921 -5.121 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.828 -4.448 -6.746 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -5.564 -3.991 -4.729 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.682 -3.757 -5.539 1.00 0.00 C ATOM 0 H TRP A 114 -0.399 -7.193 -8.110 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.857 -5.184 -6.381 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.345 -8.078 -7.175 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.719 -7.622 -5.525 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.203 -7.665 -8.877 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.362 -6.250 -9.002 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.728 -5.095 -4.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.688 -4.269 -7.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -5.453 -3.454 -3.798 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.432 -3.043 -5.232 1.00 0.00 H new ATOM 577 N TRP A 115 0.038 -5.511 -4.804 1.00 0.00 N ATOM 578 CA TRP A 115 1.049 -5.762 -3.734 1.00 0.00 C ATOM 579 C TRP A 115 0.368 -5.741 -2.363 1.00 0.00 C ATOM 580 O TRP A 115 -0.638 -5.083 -2.169 1.00 0.00 O ATOM 581 CB TRP A 115 2.060 -4.607 -3.838 1.00 0.00 C ATOM 582 CG TRP A 115 2.704 -4.557 -5.200 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.709 -5.557 -6.121 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.451 -3.455 -5.798 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.407 -5.133 -7.240 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.883 -3.846 -7.090 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.791 -2.164 -5.349 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.625 -2.988 -7.905 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.537 -1.300 -6.167 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.954 -1.710 -7.442 1.00 0.00 C ATOM 0 H TRP A 115 -0.223 -4.533 -4.932 1.00 0.00 H new ATOM 0 HA TRP A 115 1.532 -6.732 -3.850 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.556 -3.662 -3.638 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.829 -4.726 -3.075 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.244 -6.524 -6.000 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.552 -5.703 -8.074 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.476 -1.836 -4.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.942 -3.309 -8.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.792 -0.312 -5.812 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.528 -1.040 -8.065 1.00 0.00 H new ATOM 601 N LYS A 116 0.925 -6.442 -1.410 1.00 0.00 N ATOM 602 CA LYS A 116 0.331 -6.463 -0.035 1.00 0.00 C ATOM 603 C LYS A 116 1.127 -5.510 0.858 1.00 0.00 C ATOM 604 O LYS A 116 2.288 -5.745 1.104 1.00 0.00 O ATOM 605 CB LYS A 116 0.503 -7.909 0.451 1.00 0.00 C ATOM 606 CG LYS A 116 -0.807 -8.417 1.058 1.00 0.00 C ATOM 607 CD LYS A 116 -0.589 -9.820 1.632 1.00 0.00 C ATOM 608 CE LYS A 116 -1.715 -10.161 2.613 1.00 0.00 C ATOM 609 NZ LYS A 116 -2.791 -10.766 1.776 1.00 0.00 N ATOM 0 H LYS A 116 1.769 -7.004 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.714 -6.153 -0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.800 -8.548 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.301 -7.960 1.192 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.145 -7.739 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.588 -8.440 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.563 -10.553 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.375 -9.870 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.373 -10.857 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.071 -9.270 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.597 -11.025 2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.102 -10.078 1.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.426 -11.617 1.303 1.00 0.00 H new ATOM 623 N ALA A 117 0.533 -4.435 1.328 1.00 0.00 N ATOM 624 CA ALA A 117 1.312 -3.479 2.179 1.00 0.00 C ATOM 625 C ALA A 117 0.615 -3.169 3.514 1.00 0.00 C ATOM 626 O ALA A 117 -0.565 -3.406 3.698 1.00 0.00 O ATOM 627 CB ALA A 117 1.406 -2.206 1.341 1.00 0.00 C ATOM 0 H ALA A 117 -0.441 -4.182 1.162 1.00 0.00 H new ATOM 0 HA ALA A 117 2.281 -3.901 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.964 -1.448 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.918 -2.424 0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.403 -1.835 1.129 1.00 0.00 H new ATOM 633 N ARG A 118 1.361 -2.613 4.442 1.00 0.00 N ATOM 634 CA ARG A 118 0.801 -2.253 5.763 1.00 0.00 C ATOM 635 C ARG A 118 0.798 -0.729 5.922 1.00 0.00 C ATOM 636 O ARG A 118 1.832 -0.089 5.877 1.00 0.00 O ATOM 637 CB ARG A 118 1.746 -2.917 6.779 1.00 0.00 C ATOM 638 CG ARG A 118 1.412 -2.471 8.213 1.00 0.00 C ATOM 639 CD ARG A 118 2.683 -2.008 8.934 1.00 0.00 C ATOM 640 NE ARG A 118 2.302 -1.895 10.377 1.00 0.00 N ATOM 641 CZ ARG A 118 3.211 -1.709 11.313 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.484 -1.569 11.019 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.838 -1.652 12.561 1.00 0.00 N ATOM 0 H ARG A 118 2.351 -2.394 4.326 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.229 -2.585 5.897 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.664 -4.001 6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.778 -2.658 6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.683 -1.661 8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.954 -3.295 8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.495 -2.722 8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.030 -1.052 8.543 1.00 0.00 H new ATOM 0 HE ARG A 118 1.319 -1.963 10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.790 -1.603 10.046 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.167 -1.426 11.763 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.852 -1.751 12.804 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.532 -1.508 13.295 1.00 0.00 H new ATOM 657 N SER A 119 -0.358 -0.152 6.124 1.00 0.00 N ATOM 658 CA SER A 119 -0.440 1.325 6.305 1.00 0.00 C ATOM 659 C SER A 119 -0.017 1.685 7.729 1.00 0.00 C ATOM 660 O SER A 119 -0.590 1.205 8.696 1.00 0.00 O ATOM 661 CB SER A 119 -1.906 1.680 6.077 1.00 0.00 C ATOM 662 OG SER A 119 -2.015 3.073 5.817 1.00 0.00 O ATOM 0 H SER A 119 -1.251 -0.643 6.171 1.00 0.00 H new ATOM 0 HA SER A 119 0.212 1.867 5.620 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.304 1.109 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.497 1.414 6.953 1.00 0.00 H new ATOM 0 HG SER A 119 -2.955 3.305 5.668 1.00 0.00 H new ATOM 668 N LEU A 120 0.980 2.522 7.859 1.00 0.00 N ATOM 669 CA LEU A 120 1.459 2.923 9.214 1.00 0.00 C ATOM 670 C LEU A 120 0.438 3.846 9.875 1.00 0.00 C ATOM 671 O LEU A 120 0.323 3.888 11.085 1.00 0.00 O ATOM 672 CB LEU A 120 2.782 3.661 8.980 1.00 0.00 C ATOM 673 CG LEU A 120 3.779 2.723 8.291 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.756 3.540 7.445 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.563 1.948 9.350 1.00 0.00 C ATOM 0 H LEU A 120 1.485 2.946 7.081 1.00 0.00 H new ATOM 0 HA LEU A 120 1.592 2.065 9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.613 4.544 8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.190 4.007 9.930 1.00 0.00 H new ATOM 0 HG LEU A 120 3.235 2.028 7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.463 2.870 6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.204 4.098 6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.298 4.236 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.273 1.280 8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.103 2.648 9.987 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.873 1.362 9.957 1.00 0.00 H new ATOM 687 N ALA A 121 -0.319 4.577 9.089 1.00 0.00 N ATOM 688 CA ALA A 121 -1.356 5.490 9.672 1.00 0.00 C ATOM 689 C ALA A 121 -2.286 4.697 10.600 1.00 0.00 C ATOM 690 O ALA A 121 -2.860 5.234 11.529 1.00 0.00 O ATOM 691 CB ALA A 121 -2.136 6.034 8.472 1.00 0.00 C ATOM 0 H ALA A 121 -0.264 4.581 8.071 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.914 6.292 10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.915 6.712 8.821 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.457 6.572 7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.592 5.206 7.929 1.00 0.00 H new ATOM 697 N THR A 122 -2.421 3.417 10.354 1.00 0.00 N ATOM 698 CA THR A 122 -3.293 2.566 11.213 1.00 0.00 C ATOM 699 C THR A 122 -2.613 1.217 11.503 1.00 0.00 C ATOM 700 O THR A 122 -3.231 0.311 12.026 1.00 0.00 O ATOM 701 CB THR A 122 -4.569 2.357 10.397 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.230 1.871 9.105 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.315 3.686 10.265 1.00 0.00 C ATOM 0 H THR A 122 -1.960 2.924 9.589 1.00 0.00 H new ATOM 0 HA THR A 122 -3.495 3.030 12.178 1.00 0.00 H new ATOM 0 HB THR A 122 -5.208 1.632 10.901 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.047 1.735 8.582 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.225 3.536 9.683 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.575 4.057 11.256 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.677 4.413 9.761 1.00 0.00 H new ATOM 711 N ARG A 123 -1.342 1.070 11.168 1.00 0.00 N ATOM 712 CA ARG A 123 -0.624 -0.230 11.423 1.00 0.00 C ATOM 713 C ARG A 123 -1.432 -1.407 10.874 1.00 0.00 C ATOM 714 O ARG A 123 -1.328 -2.521 11.351 1.00 0.00 O ATOM 715 CB ARG A 123 -0.507 -0.333 12.945 1.00 0.00 C ATOM 716 CG ARG A 123 0.261 0.876 13.481 1.00 0.00 C ATOM 717 CD ARG A 123 0.995 0.498 14.770 1.00 0.00 C ATOM 718 NE ARG A 123 1.885 1.665 15.061 1.00 0.00 N ATOM 719 CZ ARG A 123 2.497 1.793 16.220 1.00 0.00 C ATOM 720 NH1 ARG A 123 2.382 0.888 17.163 1.00 0.00 N ATOM 721 NH2 ARG A 123 3.239 2.845 16.432 1.00 0.00 N ATOM 0 H ARG A 123 -0.774 1.795 10.730 1.00 0.00 H new ATOM 0 HA ARG A 123 0.350 -0.257 10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.499 -0.375 13.395 1.00 0.00 H new ATOM 0 HB3 ARG A 123 0.007 -1.254 13.219 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.975 1.224 12.735 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.427 1.699 13.672 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.295 0.322 15.586 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.573 -0.417 14.642 1.00 0.00 H new ATOM 0 HE ARG A 123 2.021 2.378 14.345 1.00 0.00 H new ATOM 0 HH11 ARG A 123 1.807 0.060 17.008 1.00 0.00 H new ATOM 0 HH12 ARG A 123 2.867 1.013 18.051 1.00 0.00 H new ATOM 0 HH21 ARG A 123 3.339 3.554 15.705 1.00 0.00 H new ATOM 0 HH22 ARG A 123 3.720 2.959 17.325 1.00 0.00 H new ATOM 735 N LYS A 124 -2.224 -1.164 9.863 1.00 0.00 N ATOM 736 CA LYS A 124 -3.036 -2.261 9.262 1.00 0.00 C ATOM 737 C LYS A 124 -2.352 -2.747 7.995 1.00 0.00 C ATOM 738 O LYS A 124 -1.327 -2.231 7.622 1.00 0.00 O ATOM 739 CB LYS A 124 -4.384 -1.628 8.927 1.00 0.00 C ATOM 740 CG LYS A 124 -5.138 -1.312 10.219 1.00 0.00 C ATOM 741 CD LYS A 124 -6.641 -1.500 9.994 1.00 0.00 C ATOM 742 CE LYS A 124 -7.284 -2.054 11.272 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.448 -1.163 11.542 1.00 0.00 N ATOM 0 H LYS A 124 -2.343 -0.250 9.427 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.151 -3.114 9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.235 -0.716 8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -4.972 -2.306 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.795 -1.965 11.021 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.932 -0.288 10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -7.101 -0.549 9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.812 -2.183 9.162 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.602 -3.088 11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.579 -2.044 12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.937 -1.482 12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.115 -0.187 11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.106 -1.198 10.737 1.00 0.00 H new ATOM 757 N GLU A 125 -2.914 -3.714 7.326 1.00 0.00 N ATOM 758 CA GLU A 125 -2.277 -4.217 6.066 1.00 0.00 C ATOM 759 C GLU A 125 -3.307 -4.858 5.147 1.00 0.00 C ATOM 760 O GLU A 125 -4.276 -5.451 5.585 1.00 0.00 O ATOM 761 CB GLU A 125 -1.181 -5.231 6.470 1.00 0.00 C ATOM 762 CG GLU A 125 -1.608 -6.090 7.670 1.00 0.00 C ATOM 763 CD GLU A 125 -2.808 -6.962 7.294 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.859 -7.412 6.162 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.658 -7.164 8.147 1.00 0.00 O ATOM 0 H GLU A 125 -3.782 -4.179 7.591 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.838 -3.389 5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.955 -5.878 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.264 -4.695 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.778 -6.719 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.865 -5.448 8.513 1.00 0.00 H new ATOM 772 N GLY A 126 -3.096 -4.734 3.863 1.00 0.00 N ATOM 773 CA GLY A 126 -4.050 -5.322 2.891 1.00 0.00 C ATOM 774 C GLY A 126 -3.487 -5.229 1.476 1.00 0.00 C ATOM 775 O GLY A 126 -2.294 -5.302 1.261 1.00 0.00 O ATOM 0 H GLY A 126 -2.300 -4.248 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.243 -6.364 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.004 -4.798 2.945 1.00 0.00 H new ATOM 779 N TYR A 127 -4.354 -5.062 0.518 1.00 0.00 N ATOM 780 CA TYR A 127 -3.928 -4.970 -0.904 1.00 0.00 C ATOM 781 C TYR A 127 -3.750 -3.506 -1.320 1.00 0.00 C ATOM 782 O TYR A 127 -4.321 -2.610 -0.728 1.00 0.00 O ATOM 783 CB TYR A 127 -5.095 -5.598 -1.673 1.00 0.00 C ATOM 784 CG TYR A 127 -5.139 -7.087 -1.432 1.00 0.00 C ATOM 785 CD1 TYR A 127 -4.242 -7.932 -2.093 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.086 -7.622 -0.552 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.294 -9.314 -1.872 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.138 -9.001 -0.330 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.241 -9.849 -0.989 1.00 0.00 C ATOM 790 OH TYR A 127 -5.292 -11.210 -0.775 1.00 0.00 O ATOM 0 H TYR A 127 -5.360 -4.984 0.665 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.975 -5.465 -1.091 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -6.034 -5.144 -1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.987 -5.398 -2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.511 -7.520 -2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.778 -6.968 -0.043 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.603 -9.968 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -6.870 -9.412 0.350 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.005 -11.414 -0.134 1.00 0.00 H new ATOM 800 N ILE A 128 -2.969 -3.265 -2.344 1.00 0.00 N ATOM 801 CA ILE A 128 -2.750 -1.862 -2.825 1.00 0.00 C ATOM 802 C ILE A 128 -2.426 -1.873 -4.332 1.00 0.00 C ATOM 803 O ILE A 128 -1.368 -2.323 -4.726 1.00 0.00 O ATOM 804 CB ILE A 128 -1.566 -1.287 -2.025 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.399 -2.286 -1.975 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.023 -0.965 -0.601 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.930 -1.528 -2.048 1.00 0.00 C ATOM 0 H ILE A 128 -2.471 -3.982 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.641 -1.252 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.222 -0.379 -2.521 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.446 -2.870 -1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.474 -2.990 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.186 -0.558 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -2.829 -0.232 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.380 -1.875 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.756 -2.238 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.976 -0.964 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.004 -0.842 -1.204 1.00 0.00 H new ATOM 819 N PRO A 129 -3.352 -1.394 -5.146 1.00 0.00 N ATOM 820 CA PRO A 129 -3.128 -1.380 -6.621 1.00 0.00 C ATOM 821 C PRO A 129 -1.779 -0.746 -6.980 1.00 0.00 C ATOM 822 O PRO A 129 -1.580 0.447 -6.850 1.00 0.00 O ATOM 823 CB PRO A 129 -4.287 -0.546 -7.159 1.00 0.00 C ATOM 824 CG PRO A 129 -5.355 -0.659 -6.121 1.00 0.00 C ATOM 825 CD PRO A 129 -4.665 -0.827 -4.795 1.00 0.00 C ATOM 0 HA PRO A 129 -3.097 -2.384 -7.045 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -3.990 0.492 -7.310 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.631 -0.922 -8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.985 0.231 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.005 -1.509 -6.328 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.562 0.125 -4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.223 -1.492 -4.136 1.00 0.00 H new ATOM 833 N SER A 130 -0.862 -1.553 -7.442 1.00 0.00 N ATOM 834 CA SER A 130 0.491 -1.041 -7.829 1.00 0.00 C ATOM 835 C SER A 130 0.390 0.013 -8.940 1.00 0.00 C ATOM 836 O SER A 130 1.326 0.752 -9.182 1.00 0.00 O ATOM 837 CB SER A 130 1.238 -2.271 -8.345 1.00 0.00 C ATOM 838 OG SER A 130 1.215 -3.280 -7.345 1.00 0.00 O ATOM 0 H SER A 130 -0.991 -2.557 -7.570 1.00 0.00 H new ATOM 0 HA SER A 130 0.993 -0.560 -6.990 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.773 -2.637 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.267 -2.010 -8.593 1.00 0.00 H new ATOM 0 HG SER A 130 2.090 -3.720 -7.304 1.00 0.00 H new ATOM 844 N ASN A 131 -0.726 0.079 -9.628 1.00 0.00 N ATOM 845 CA ASN A 131 -0.869 1.084 -10.729 1.00 0.00 C ATOM 846 C ASN A 131 -1.321 2.457 -10.193 1.00 0.00 C ATOM 847 O ASN A 131 -1.695 3.327 -10.955 1.00 0.00 O ATOM 848 CB ASN A 131 -1.906 0.499 -11.699 1.00 0.00 C ATOM 849 CG ASN A 131 -3.221 0.215 -10.972 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.373 -0.817 -10.349 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.187 1.087 -11.033 1.00 0.00 N ATOM 0 H ASN A 131 -1.540 -0.517 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 131 0.086 1.261 -11.223 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -2.080 1.197 -12.518 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.522 -0.421 -12.140 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.071 0.903 -10.558 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.060 1.953 -11.556 1.00 0.00 H new ATOM 858 N TYR A 132 -1.272 2.667 -8.896 1.00 0.00 N ATOM 859 CA TYR A 132 -1.663 3.995 -8.321 1.00 0.00 C ATOM 860 C TYR A 132 -0.806 4.268 -7.083 1.00 0.00 C ATOM 861 O TYR A 132 -1.302 4.692 -6.054 1.00 0.00 O ATOM 862 CB TYR A 132 -3.140 3.879 -7.912 1.00 0.00 C ATOM 863 CG TYR A 132 -4.057 4.129 -9.097 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.822 5.207 -9.969 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.157 3.290 -9.312 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.683 5.435 -11.049 1.00 0.00 C ATOM 867 CE2 TYR A 132 -6.018 3.523 -10.391 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.782 4.596 -11.263 1.00 0.00 C ATOM 869 OH TYR A 132 -6.632 4.837 -12.331 1.00 0.00 O ATOM 0 H TYR A 132 -0.977 1.972 -8.210 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.518 4.805 -9.036 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.331 2.886 -7.504 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.359 4.596 -7.121 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.977 5.859 -9.805 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.342 2.462 -8.644 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.498 6.261 -11.719 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.866 2.875 -10.552 1.00 0.00 H new ATOM 0 HH TYR A 132 -7.344 4.164 -12.341 1.00 0.00 H new ATOM 879 N VAL A 133 0.475 4.012 -7.169 1.00 0.00 N ATOM 880 CA VAL A 133 1.358 4.230 -5.986 1.00 0.00 C ATOM 881 C VAL A 133 2.813 4.447 -6.410 1.00 0.00 C ATOM 882 O VAL A 133 3.189 4.227 -7.545 1.00 0.00 O ATOM 883 CB VAL A 133 1.199 2.946 -5.159 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.575 1.719 -5.997 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.085 2.988 -3.919 1.00 0.00 C ATOM 0 H VAL A 133 0.945 3.663 -8.004 1.00 0.00 H new ATOM 0 HA VAL A 133 1.087 5.123 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 133 0.155 2.875 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.457 0.818 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.924 1.661 -6.870 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.612 1.805 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.956 2.068 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.128 3.085 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.805 3.841 -3.301 1.00 0.00 H new ATOM 895 N ALA A 134 3.627 4.874 -5.484 1.00 0.00 N ATOM 896 CA ALA A 134 5.073 5.117 -5.781 1.00 0.00 C ATOM 897 C ALA A 134 5.951 4.392 -4.748 1.00 0.00 C ATOM 898 O ALA A 134 5.760 4.526 -3.555 1.00 0.00 O ATOM 899 CB ALA A 134 5.252 6.636 -5.676 1.00 0.00 C ATOM 0 H ALA A 134 3.351 5.068 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 134 5.364 4.744 -6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.291 6.895 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.605 7.130 -6.401 1.00 0.00 H new ATOM 0 HB3 ALA A 134 4.988 6.965 -4.671 1.00 0.00 H new ATOM 905 N ARG A 135 6.893 3.604 -5.200 1.00 0.00 N ATOM 906 CA ARG A 135 7.766 2.847 -4.254 1.00 0.00 C ATOM 907 C ARG A 135 9.001 3.648 -3.828 1.00 0.00 C ATOM 908 O ARG A 135 9.627 4.321 -4.620 1.00 0.00 O ATOM 909 CB ARG A 135 8.195 1.616 -5.044 1.00 0.00 C ATOM 910 CG ARG A 135 8.312 0.417 -4.104 1.00 0.00 C ATOM 911 CD ARG A 135 9.771 -0.031 -4.019 1.00 0.00 C ATOM 912 NE ARG A 135 10.045 -0.723 -5.321 1.00 0.00 N ATOM 913 CZ ARG A 135 11.273 -1.043 -5.682 1.00 0.00 C ATOM 914 NH1 ARG A 135 12.307 -0.777 -4.917 1.00 0.00 N ATOM 915 NH2 ARG A 135 11.467 -1.639 -6.828 1.00 0.00 N ATOM 0 H ARG A 135 7.095 3.452 -6.188 1.00 0.00 H new ATOM 0 HA ARG A 135 7.235 2.613 -3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.470 1.405 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 135 9.151 1.801 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 135 7.945 0.683 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 135 7.690 -0.402 -4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 135 10.437 0.820 -3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 135 9.928 -0.703 -3.175 1.00 0.00 H new ATOM 0 HE ARG A 135 9.267 -0.951 -5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 135 12.171 -0.312 -4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 135 13.246 -1.035 -5.221 1.00 0.00 H new ATOM 0 HH21 ARG A 135 10.674 -1.852 -7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 135 12.412 -1.891 -7.118 1.00 0.00 H new