USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 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 89:sc= 0.905! USER MOD Single : A 98 SER OG : rot 91:sc= -1.51! USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.084) USER MOD Single : A 105 MET CE :methyl -105:sc= -2.71! (180deg=-4.65!) USER MOD Single : A 111 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 116 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0104) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot -170:sc= -0.733 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 -117:sc= -0.0159 USER MOD Single : A 131 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.6!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.492 -1.077 1.511 1.00 0.00 N ATOM 40 CA ILE A 81 10.268 -1.710 0.923 1.00 0.00 C ATOM 41 C ILE A 81 9.026 -0.926 1.357 1.00 0.00 C ATOM 42 O ILE A 81 8.116 -1.482 1.926 1.00 0.00 O ATOM 43 CB ILE A 81 10.253 -3.171 1.462 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.166 -4.057 0.779 1.00 0.00 C ATOM 45 CG2 ILE A 81 9.988 -3.167 2.968 1.00 0.00 C ATOM 46 CD1 ILE A 81 9.076 -3.775 -0.728 1.00 0.00 C ATOM 0 HA ILE A 81 10.272 -1.706 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 81 11.231 -3.595 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.399 -5.110 0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.198 -3.870 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.979 -4.192 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.773 -2.605 3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.023 -2.701 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.309 -4.410 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 81 8.818 -2.728 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.037 -3.987 -1.196 1.00 0.00 H new ATOM 58 N ILE A 82 8.980 0.360 1.092 1.00 0.00 N ATOM 59 CA ILE A 82 7.773 1.154 1.496 1.00 0.00 C ATOM 60 C ILE A 82 7.185 1.830 0.265 1.00 0.00 C ATOM 61 O ILE A 82 7.863 2.002 -0.719 1.00 0.00 O ATOM 62 CB ILE A 82 8.267 2.191 2.509 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.879 1.467 3.710 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.091 3.061 2.984 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.570 2.477 4.631 1.00 0.00 C ATOM 0 H ILE A 82 9.714 0.888 0.620 1.00 0.00 H new ATOM 0 HA ILE A 82 6.993 0.531 1.934 1.00 0.00 H new ATOM 0 HB ILE A 82 9.016 2.828 2.038 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.103 0.934 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.598 0.722 3.369 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.450 3.796 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.650 3.575 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.338 2.429 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.003 1.955 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.359 2.991 4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.840 3.206 4.984 1.00 0.00 H new ATOM 77 N VAL A 83 5.937 2.213 0.312 1.00 0.00 N ATOM 78 CA VAL A 83 5.314 2.885 -0.868 1.00 0.00 C ATOM 79 C VAL A 83 4.450 4.064 -0.424 1.00 0.00 C ATOM 80 O VAL A 83 4.153 4.230 0.745 1.00 0.00 O ATOM 81 CB VAL A 83 4.421 1.835 -1.551 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.265 0.733 -2.192 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.460 1.216 -0.529 1.00 0.00 C ATOM 0 H VAL A 83 5.321 2.090 1.116 1.00 0.00 H new ATOM 0 HA VAL A 83 6.083 3.266 -1.540 1.00 0.00 H new ATOM 0 HB VAL A 83 3.849 2.335 -2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.610 0.003 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.926 1.170 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.862 0.239 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.832 0.474 -1.023 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.033 0.736 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.831 1.997 -0.102 1.00 0.00 H new ATOM 93 N VAL A 84 4.020 4.863 -1.364 1.00 0.00 N ATOM 94 CA VAL A 84 3.143 6.014 -1.029 1.00 0.00 C ATOM 95 C VAL A 84 1.926 5.988 -1.956 1.00 0.00 C ATOM 96 O VAL A 84 2.061 5.975 -3.169 1.00 0.00 O ATOM 97 CB VAL A 84 3.996 7.289 -1.224 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.185 7.616 -2.711 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.288 8.468 -0.556 1.00 0.00 C ATOM 0 H VAL A 84 4.242 4.764 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 84 2.772 5.979 -0.005 1.00 0.00 H new ATOM 0 HB VAL A 84 4.975 7.114 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.789 8.518 -2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.689 6.785 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.212 7.778 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.883 9.372 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.307 8.609 -1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.168 8.265 0.508 1.00 0.00 H new ATOM 109 N ALA A 85 0.748 5.966 -1.401 1.00 0.00 N ATOM 110 CA ALA A 85 -0.465 5.941 -2.259 1.00 0.00 C ATOM 111 C ALA A 85 -0.575 7.263 -3.001 1.00 0.00 C ATOM 112 O ALA A 85 -0.660 8.312 -2.384 1.00 0.00 O ATOM 113 CB ALA A 85 -1.638 5.779 -1.306 1.00 0.00 C ATOM 0 H ALA A 85 0.574 5.964 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.436 5.138 -2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.568 5.753 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.528 4.849 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.661 6.619 -0.611 1.00 0.00 H new ATOM 119 N LEU A 86 -0.575 7.210 -4.313 1.00 0.00 N ATOM 120 CA LEU A 86 -0.674 8.457 -5.132 1.00 0.00 C ATOM 121 C LEU A 86 -2.130 8.746 -5.517 1.00 0.00 C ATOM 122 O LEU A 86 -2.407 9.709 -6.201 1.00 0.00 O ATOM 123 CB LEU A 86 0.133 8.169 -6.399 1.00 0.00 C ATOM 124 CG LEU A 86 1.604 7.946 -6.047 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.347 7.424 -7.281 1.00 0.00 C ATOM 126 CD2 LEU A 86 2.227 9.269 -5.601 1.00 0.00 C ATOM 0 H LEU A 86 -0.510 6.348 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.305 9.322 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.266 7.288 -6.901 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.040 9.002 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 86 1.680 7.218 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.396 7.264 -7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.902 6.482 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.272 8.154 -8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.276 9.111 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.153 9.997 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.697 9.644 -4.726 1.00 0.00 H new ATOM 138 N TYR A 87 -3.059 7.925 -5.086 1.00 0.00 N ATOM 139 CA TYR A 87 -4.499 8.162 -5.418 1.00 0.00 C ATOM 140 C TYR A 87 -5.357 7.550 -4.307 1.00 0.00 C ATOM 141 O TYR A 87 -4.945 6.616 -3.644 1.00 0.00 O ATOM 142 CB TYR A 87 -4.772 7.454 -6.755 1.00 0.00 C ATOM 143 CG TYR A 87 -3.788 7.901 -7.811 1.00 0.00 C ATOM 144 CD1 TYR A 87 -3.972 9.119 -8.477 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.689 7.091 -8.123 1.00 0.00 C ATOM 146 CE1 TYR A 87 -3.057 9.525 -9.456 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.775 7.497 -9.101 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.958 8.713 -9.769 1.00 0.00 C ATOM 149 OH TYR A 87 -1.057 9.113 -10.735 1.00 0.00 O ATOM 0 H TYR A 87 -2.880 7.098 -4.516 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.733 9.224 -5.499 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.702 6.375 -6.621 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.788 7.669 -7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.819 9.745 -8.236 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.547 6.152 -7.608 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.198 10.464 -9.970 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.928 6.872 -9.341 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.355 8.436 -10.828 1.00 0.00 H new ATOM 159 N ASP A 88 -6.531 8.077 -4.088 1.00 0.00 N ATOM 160 CA ASP A 88 -7.407 7.530 -3.007 1.00 0.00 C ATOM 161 C ASP A 88 -7.877 6.113 -3.366 1.00 0.00 C ATOM 162 O ASP A 88 -8.092 5.802 -4.521 1.00 0.00 O ATOM 163 CB ASP A 88 -8.598 8.483 -2.925 1.00 0.00 C ATOM 164 CG ASP A 88 -8.155 9.806 -2.293 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.317 9.764 -1.407 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.662 10.835 -2.704 1.00 0.00 O ATOM 0 H ASP A 88 -6.923 8.862 -4.609 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.880 7.459 -2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.003 8.662 -3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.395 8.034 -2.333 1.00 0.00 H new ATOM 171 N TYR A 89 -8.040 5.254 -2.385 1.00 0.00 N ATOM 172 CA TYR A 89 -8.506 3.857 -2.675 1.00 0.00 C ATOM 173 C TYR A 89 -9.198 3.256 -1.445 1.00 0.00 C ATOM 174 O TYR A 89 -8.656 3.259 -0.358 1.00 0.00 O ATOM 175 CB TYR A 89 -7.237 3.071 -3.015 1.00 0.00 C ATOM 176 CG TYR A 89 -7.627 1.753 -3.640 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.203 1.729 -4.917 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.434 0.559 -2.936 1.00 0.00 C ATOM 179 CE1 TYR A 89 -8.584 0.510 -5.490 1.00 0.00 C ATOM 180 CE2 TYR A 89 -7.818 -0.661 -3.507 1.00 0.00 C ATOM 181 CZ TYR A 89 -8.395 -0.685 -4.784 1.00 0.00 C ATOM 182 OH TYR A 89 -8.773 -1.886 -5.347 1.00 0.00 O ATOM 0 H TYR A 89 -7.871 5.458 -1.400 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.231 3.830 -3.489 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.613 3.643 -3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.647 2.901 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.353 2.651 -5.459 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.989 0.578 -1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.024 0.491 -6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.670 -1.582 -2.964 1.00 0.00 H new ATOM 0 HH TYR A 89 -8.030 -2.249 -5.873 1.00 0.00 H new ATOM 192 N GLU A 90 -10.396 2.746 -1.611 1.00 0.00 N ATOM 193 CA GLU A 90 -11.136 2.155 -0.449 1.00 0.00 C ATOM 194 C GLU A 90 -10.992 0.624 -0.407 1.00 0.00 C ATOM 195 O GLU A 90 -10.942 -0.041 -1.424 1.00 0.00 O ATOM 196 CB GLU A 90 -12.603 2.556 -0.647 1.00 0.00 C ATOM 197 CG GLU A 90 -13.118 2.045 -1.996 1.00 0.00 C ATOM 198 CD GLU A 90 -14.644 1.965 -1.961 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.170 1.495 -0.967 1.00 0.00 O ATOM 200 OE2 GLU A 90 -15.262 2.378 -2.930 1.00 0.00 O ATOM 0 H GLU A 90 -10.893 2.713 -2.501 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.738 2.521 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.211 2.147 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.700 3.641 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.796 2.711 -2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.696 1.063 -2.210 1.00 0.00 H new ATOM 207 N ALA A 91 -10.920 0.073 0.779 1.00 0.00 N ATOM 208 CA ALA A 91 -10.773 -1.412 0.937 1.00 0.00 C ATOM 209 C ALA A 91 -11.912 -2.171 0.236 1.00 0.00 C ATOM 210 O ALA A 91 -13.033 -1.705 0.169 1.00 0.00 O ATOM 211 CB ALA A 91 -10.843 -1.643 2.449 1.00 0.00 C ATOM 0 H ALA A 91 -10.957 0.593 1.656 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.847 -1.774 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.744 -2.708 2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.034 -1.100 2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -11.801 -1.286 2.828 1.00 0.00 H new ATOM 285 N ASP A 96 -7.854 -6.314 2.615 1.00 0.00 N ATOM 286 CA ASP A 96 -7.656 -5.078 1.803 1.00 0.00 C ATOM 287 C ASP A 96 -7.137 -3.917 2.663 1.00 0.00 C ATOM 288 O ASP A 96 -6.905 -4.065 3.847 1.00 0.00 O ATOM 289 CB ASP A 96 -9.034 -4.758 1.226 1.00 0.00 C ATOM 290 CG ASP A 96 -10.075 -4.586 2.341 1.00 0.00 C ATOM 291 OD1 ASP A 96 -9.685 -4.415 3.485 1.00 0.00 O ATOM 292 OD2 ASP A 96 -11.254 -4.637 2.028 1.00 0.00 O ATOM 0 HA ASP A 96 -6.909 -5.225 1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.980 -3.846 0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.345 -5.558 0.554 1.00 0.00 H new ATOM 297 N LEU A 97 -6.941 -2.769 2.062 1.00 0.00 N ATOM 298 CA LEU A 97 -6.421 -1.589 2.819 1.00 0.00 C ATOM 299 C LEU A 97 -6.865 -0.287 2.137 1.00 0.00 C ATOM 300 O LEU A 97 -6.566 -0.055 0.981 1.00 0.00 O ATOM 301 CB LEU A 97 -4.893 -1.739 2.757 1.00 0.00 C ATOM 302 CG LEU A 97 -4.210 -0.947 3.885 1.00 0.00 C ATOM 303 CD1 LEU A 97 -4.530 0.542 3.756 1.00 0.00 C ATOM 304 CD2 LEU A 97 -4.692 -1.446 5.247 1.00 0.00 C ATOM 0 H LEU A 97 -7.120 -2.598 1.073 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.791 -1.549 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.625 -2.793 2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.529 -1.388 1.791 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.133 -1.095 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.040 1.090 4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.170 0.910 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.608 0.689 3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.201 -0.878 6.037 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.771 -1.314 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.447 -2.503 5.355 1.00 0.00 H new ATOM 316 N SER A 98 -7.568 0.563 2.847 1.00 0.00 N ATOM 317 CA SER A 98 -8.022 1.851 2.242 1.00 0.00 C ATOM 318 C SER A 98 -7.033 2.970 2.559 1.00 0.00 C ATOM 319 O SER A 98 -6.910 3.402 3.690 1.00 0.00 O ATOM 320 CB SER A 98 -9.362 2.171 2.895 1.00 0.00 C ATOM 321 OG SER A 98 -10.072 0.968 3.151 1.00 0.00 O ATOM 0 H SER A 98 -7.846 0.419 3.818 1.00 0.00 H new ATOM 0 HA SER A 98 -8.098 1.767 1.158 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.203 2.715 3.826 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.949 2.819 2.244 1.00 0.00 H new ATOM 0 HG SER A 98 -9.853 0.644 4.050 1.00 0.00 H new ATOM 327 N PHE A 99 -6.351 3.454 1.562 1.00 0.00 N ATOM 328 CA PHE A 99 -5.377 4.570 1.777 1.00 0.00 C ATOM 329 C PHE A 99 -5.849 5.826 1.037 1.00 0.00 C ATOM 330 O PHE A 99 -6.976 5.894 0.578 1.00 0.00 O ATOM 331 CB PHE A 99 -4.017 4.081 1.246 1.00 0.00 C ATOM 332 CG PHE A 99 -4.141 3.476 -0.137 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.279 4.303 -1.255 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.091 2.087 -0.298 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.367 3.744 -2.536 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.176 1.527 -1.578 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.314 2.355 -2.698 1.00 0.00 C ATOM 0 H PHE A 99 -6.423 3.126 0.599 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.295 4.834 2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.316 4.915 1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.603 3.341 1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.318 5.375 -1.131 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.987 1.447 0.566 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.476 4.385 -3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.135 0.455 -1.702 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.379 1.923 -3.686 1.00 0.00 H new ATOM 347 N GLN A 100 -5.009 6.829 0.941 1.00 0.00 N ATOM 348 CA GLN A 100 -5.431 8.088 0.259 1.00 0.00 C ATOM 349 C GLN A 100 -4.452 8.487 -0.853 1.00 0.00 C ATOM 350 O GLN A 100 -3.515 7.785 -1.168 1.00 0.00 O ATOM 351 CB GLN A 100 -5.473 9.153 1.365 1.00 0.00 C ATOM 352 CG GLN A 100 -6.919 9.628 1.571 1.00 0.00 C ATOM 353 CD GLN A 100 -7.191 9.820 3.065 1.00 0.00 C ATOM 354 OE1 GLN A 100 -7.363 8.860 3.790 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.239 11.026 3.558 1.00 0.00 N ATOM 0 H GLN A 100 -4.056 6.829 1.304 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.398 7.969 -0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.079 8.742 2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.838 9.997 1.095 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.084 10.565 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.614 8.898 1.156 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.095 11.832 2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.421 11.164 4.552 1.00 0.00 H new ATOM 364 N LYS A 101 -4.727 9.597 -1.475 1.00 0.00 N ATOM 365 CA LYS A 101 -3.898 10.090 -2.625 1.00 0.00 C ATOM 366 C LYS A 101 -2.436 10.371 -2.291 1.00 0.00 C ATOM 367 O LYS A 101 -1.600 10.445 -3.173 1.00 0.00 O ATOM 368 CB LYS A 101 -4.578 11.373 -3.049 1.00 0.00 C ATOM 369 CG LYS A 101 -3.987 11.843 -4.369 1.00 0.00 C ATOM 370 CD LYS A 101 -5.090 12.460 -5.220 1.00 0.00 C ATOM 371 CE LYS A 101 -6.024 11.352 -5.718 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.272 12.054 -6.127 1.00 0.00 N ATOM 0 H LYS A 101 -5.511 10.203 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.850 9.321 -3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.651 11.212 -3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.445 12.139 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.199 12.574 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.530 11.005 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.651 13.189 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.657 12.994 -6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.583 10.811 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.221 10.621 -4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.961 11.360 -6.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.673 12.554 -5.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.055 12.739 -6.879 1.00 0.00 H new ATOM 386 N GLY A 102 -2.133 10.563 -1.058 1.00 0.00 N ATOM 387 CA GLY A 102 -0.722 10.870 -0.664 1.00 0.00 C ATOM 388 C GLY A 102 -0.402 10.169 0.649 1.00 0.00 C ATOM 389 O GLY A 102 0.212 10.736 1.533 1.00 0.00 O ATOM 0 H GLY A 102 -2.798 10.524 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.035 10.539 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.588 11.946 -0.557 1.00 0.00 H new ATOM 393 N ASP A 103 -0.823 8.942 0.780 1.00 0.00 N ATOM 394 CA ASP A 103 -0.550 8.194 2.061 1.00 0.00 C ATOM 395 C ASP A 103 0.763 7.413 1.998 1.00 0.00 C ATOM 396 O ASP A 103 1.349 7.249 0.951 1.00 0.00 O ATOM 397 CB ASP A 103 -1.728 7.242 2.256 1.00 0.00 C ATOM 398 CG ASP A 103 -2.811 7.945 3.078 1.00 0.00 C ATOM 399 OD1 ASP A 103 -2.989 9.137 2.887 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.437 7.282 3.888 1.00 0.00 O ATOM 0 H ASP A 103 -1.339 8.421 0.071 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.448 8.890 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.129 6.937 1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.399 6.336 2.765 1.00 0.00 H new ATOM 405 N GLN A 104 1.207 6.906 3.122 1.00 0.00 N ATOM 406 CA GLN A 104 2.458 6.105 3.157 1.00 0.00 C ATOM 407 C GLN A 104 2.177 4.747 3.793 1.00 0.00 C ATOM 408 O GLN A 104 1.669 4.654 4.894 1.00 0.00 O ATOM 409 CB GLN A 104 3.446 6.898 4.015 1.00 0.00 C ATOM 410 CG GLN A 104 4.270 7.841 3.130 1.00 0.00 C ATOM 411 CD GLN A 104 5.747 7.749 3.524 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.391 8.753 3.756 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.311 6.574 3.614 1.00 0.00 N ATOM 0 H GLN A 104 0.746 7.018 4.025 1.00 0.00 H new ATOM 0 HA GLN A 104 2.856 5.930 2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.907 7.472 4.769 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.108 6.215 4.548 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.145 7.574 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.915 8.866 3.243 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.769 5.732 3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.293 6.499 3.879 1.00 0.00 H new ATOM 422 N MET A 105 2.515 3.698 3.102 1.00 0.00 N ATOM 423 CA MET A 105 2.295 2.326 3.636 1.00 0.00 C ATOM 424 C MET A 105 3.557 1.511 3.396 1.00 0.00 C ATOM 425 O MET A 105 4.304 1.788 2.480 1.00 0.00 O ATOM 426 CB MET A 105 1.132 1.758 2.822 1.00 0.00 C ATOM 427 CG MET A 105 -0.139 2.571 3.089 1.00 0.00 C ATOM 428 SD MET A 105 -0.327 3.851 1.820 1.00 0.00 S ATOM 429 CE MET A 105 -0.602 2.738 0.418 1.00 0.00 C ATOM 0 H MET A 105 2.941 3.732 2.176 1.00 0.00 H new ATOM 0 HA MET A 105 2.074 2.311 4.703 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.374 1.784 1.759 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.968 0.713 3.086 1.00 0.00 H new ATOM 0 HG2 MET A 105 -1.009 1.914 3.088 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.088 3.030 4.076 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.297 2.698 -0.197 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.834 1.739 0.787 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.435 3.106 -0.181 1.00 0.00 H new ATOM 439 N VAL A 106 3.803 0.507 4.192 1.00 0.00 N ATOM 440 CA VAL A 106 5.022 -0.318 3.973 1.00 0.00 C ATOM 441 C VAL A 106 4.630 -1.512 3.122 1.00 0.00 C ATOM 442 O VAL A 106 3.505 -1.951 3.149 1.00 0.00 O ATOM 443 CB VAL A 106 5.489 -0.783 5.354 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.821 -1.522 5.219 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.669 0.423 6.286 1.00 0.00 C ATOM 0 H VAL A 106 3.218 0.225 4.978 1.00 0.00 H new ATOM 0 HA VAL A 106 5.816 0.234 3.470 1.00 0.00 H new ATOM 0 HB VAL A 106 4.737 -1.450 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.154 -1.854 6.202 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.693 -2.387 4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.567 -0.853 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.001 0.079 7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.414 1.099 5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.719 0.948 6.389 1.00 0.00 H new ATOM 455 N VAL A 107 5.539 -2.034 2.370 1.00 0.00 N ATOM 456 CA VAL A 107 5.213 -3.203 1.501 1.00 0.00 C ATOM 457 C VAL A 107 5.595 -4.508 2.207 1.00 0.00 C ATOM 458 O VAL A 107 6.666 -4.646 2.768 1.00 0.00 O ATOM 459 CB VAL A 107 6.001 -2.972 0.201 1.00 0.00 C ATOM 460 CG1 VAL A 107 6.061 -4.255 -0.643 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.291 -1.886 -0.606 1.00 0.00 C ATOM 0 H VAL A 107 6.503 -1.707 2.312 1.00 0.00 H new ATOM 0 HA VAL A 107 4.148 -3.292 1.286 1.00 0.00 H new ATOM 0 HB VAL A 107 7.019 -2.674 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.624 -4.064 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.552 -5.043 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.049 -4.569 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.835 -1.707 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.276 -2.210 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.254 -0.965 -0.024 1.00 0.00 H new ATOM 471 N LEU A 108 4.716 -5.461 2.154 1.00 0.00 N ATOM 472 CA LEU A 108 4.965 -6.780 2.788 1.00 0.00 C ATOM 473 C LEU A 108 5.513 -7.756 1.742 1.00 0.00 C ATOM 474 O LEU A 108 6.236 -8.681 2.060 1.00 0.00 O ATOM 475 CB LEU A 108 3.578 -7.252 3.250 1.00 0.00 C ATOM 476 CG LEU A 108 3.147 -6.528 4.532 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.321 -5.301 4.173 1.00 0.00 C ATOM 478 CD2 LEU A 108 2.288 -7.473 5.382 1.00 0.00 C ATOM 0 H LEU A 108 3.813 -5.380 1.687 1.00 0.00 H new ATOM 0 HA LEU A 108 5.685 -6.724 3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.847 -7.069 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.596 -8.328 3.425 1.00 0.00 H new ATOM 0 HG LEU A 108 4.033 -6.224 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.016 -4.788 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.919 -4.626 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.436 -5.608 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.979 -6.963 6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.405 -7.770 4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.868 -8.359 5.640 1.00 0.00 H new ATOM 490 N GLU A 109 5.166 -7.552 0.491 1.00 0.00 N ATOM 491 CA GLU A 109 5.654 -8.467 -0.587 1.00 0.00 C ATOM 492 C GLU A 109 5.652 -7.764 -1.953 1.00 0.00 C ATOM 493 O GLU A 109 5.465 -6.567 -2.053 1.00 0.00 O ATOM 494 CB GLU A 109 4.665 -9.634 -0.585 1.00 0.00 C ATOM 495 CG GLU A 109 5.114 -10.682 0.437 1.00 0.00 C ATOM 496 CD GLU A 109 4.409 -12.008 0.147 1.00 0.00 C ATOM 497 OE1 GLU A 109 4.616 -12.544 -0.929 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.673 -12.465 1.006 1.00 0.00 O ATOM 0 H GLU A 109 4.566 -6.791 0.173 1.00 0.00 H new ATOM 0 HA GLU A 109 6.680 -8.790 -0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.665 -9.277 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.610 -10.079 -1.578 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.195 -10.814 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 109 4.879 -10.346 1.447 1.00 0.00 H new ATOM 505 N GLU A 110 5.843 -8.521 -3.007 1.00 0.00 N ATOM 506 CA GLU A 110 5.846 -7.938 -4.386 1.00 0.00 C ATOM 507 C GLU A 110 5.198 -8.928 -5.364 1.00 0.00 C ATOM 508 O GLU A 110 5.826 -9.873 -5.802 1.00 0.00 O ATOM 509 CB GLU A 110 7.324 -7.732 -4.729 1.00 0.00 C ATOM 510 CG GLU A 110 7.449 -6.936 -6.031 1.00 0.00 C ATOM 511 CD GLU A 110 7.279 -7.874 -7.227 1.00 0.00 C ATOM 512 OE1 GLU A 110 8.167 -8.680 -7.456 1.00 0.00 O ATOM 513 OE2 GLU A 110 6.263 -7.773 -7.894 1.00 0.00 O ATOM 0 H GLU A 110 5.999 -9.528 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 110 5.285 -7.005 -4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.824 -7.202 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.820 -8.697 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.694 -6.151 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.421 -6.445 -6.077 1.00 0.00 H new ATOM 520 N SER A 111 3.946 -8.728 -5.694 1.00 0.00 N ATOM 521 CA SER A 111 3.254 -9.667 -6.630 1.00 0.00 C ATOM 522 C SER A 111 3.331 -9.149 -8.074 1.00 0.00 C ATOM 523 O SER A 111 4.038 -9.703 -8.896 1.00 0.00 O ATOM 524 CB SER A 111 1.804 -9.712 -6.137 1.00 0.00 C ATOM 525 OG SER A 111 0.945 -10.091 -7.206 1.00 0.00 O ATOM 0 H SER A 111 3.373 -7.955 -5.356 1.00 0.00 H new ATOM 0 HA SER A 111 3.712 -10.656 -6.638 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.711 -10.421 -5.314 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.511 -8.736 -5.751 1.00 0.00 H new ATOM 0 HG SER A 111 0.019 -10.120 -6.887 1.00 0.00 H new ATOM 531 N GLY A 112 2.610 -8.100 -8.390 1.00 0.00 N ATOM 532 CA GLY A 112 2.648 -7.561 -9.784 1.00 0.00 C ATOM 533 C GLY A 112 1.653 -6.407 -9.932 1.00 0.00 C ATOM 534 O GLY A 112 2.032 -5.250 -9.940 1.00 0.00 O ATOM 0 H GLY A 112 2.000 -7.597 -7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.654 -7.216 -10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.407 -8.352 -10.494 1.00 0.00 H new ATOM 538 N GLU A 113 0.386 -6.712 -10.050 1.00 0.00 N ATOM 539 CA GLU A 113 -0.639 -5.634 -10.197 1.00 0.00 C ATOM 540 C GLU A 113 -1.223 -5.265 -8.828 1.00 0.00 C ATOM 541 O GLU A 113 -1.752 -4.186 -8.643 1.00 0.00 O ATOM 542 CB GLU A 113 -1.722 -6.240 -11.092 1.00 0.00 C ATOM 543 CG GLU A 113 -1.191 -6.389 -12.523 1.00 0.00 C ATOM 544 CD GLU A 113 -1.634 -7.737 -13.102 1.00 0.00 C ATOM 545 OE1 GLU A 113 -2.698 -8.201 -12.726 1.00 0.00 O ATOM 546 OE2 GLU A 113 -0.900 -8.282 -13.910 1.00 0.00 O ATOM 0 H GLU A 113 0.016 -7.663 -10.051 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.219 -4.721 -10.620 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.025 -7.212 -10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.608 -5.605 -11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.563 -5.575 -13.146 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.103 -6.321 -12.526 1.00 0.00 H new ATOM 553 N TRP A 114 -1.139 -6.162 -7.872 1.00 0.00 N ATOM 554 CA TRP A 114 -1.693 -5.882 -6.514 1.00 0.00 C ATOM 555 C TRP A 114 -0.681 -6.289 -5.434 1.00 0.00 C ATOM 556 O TRP A 114 -0.460 -7.462 -5.202 1.00 0.00 O ATOM 557 CB TRP A 114 -2.941 -6.761 -6.412 1.00 0.00 C ATOM 558 CG TRP A 114 -3.961 -6.329 -7.419 1.00 0.00 C ATOM 559 CD1 TRP A 114 -3.997 -6.726 -8.713 1.00 0.00 C ATOM 560 CD2 TRP A 114 -5.098 -5.438 -7.232 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.084 -6.132 -9.332 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.793 -5.328 -8.459 1.00 0.00 C ATOM 563 CE3 TRP A 114 -5.587 -4.720 -6.127 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.936 -4.536 -8.584 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -6.735 -3.921 -6.248 1.00 0.00 C ATOM 566 CH2 TRP A 114 -7.409 -3.829 -7.474 1.00 0.00 C ATOM 0 H TRP A 114 -0.707 -7.080 -7.978 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.914 -4.824 -6.371 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.674 -7.805 -6.578 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -3.360 -6.695 -5.408 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.293 -7.396 -9.185 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -5.331 -6.271 -10.312 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -5.076 -4.783 -5.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.451 -4.470 -9.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -7.101 -3.374 -5.392 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -8.292 -3.213 -7.561 1.00 0.00 H new ATOM 577 N TRP A 115 -0.069 -5.336 -4.772 1.00 0.00 N ATOM 578 CA TRP A 115 0.924 -5.686 -3.704 1.00 0.00 C ATOM 579 C TRP A 115 0.269 -5.594 -2.326 1.00 0.00 C ATOM 580 O TRP A 115 -0.721 -4.912 -2.144 1.00 0.00 O ATOM 581 CB TRP A 115 2.043 -4.638 -3.803 1.00 0.00 C ATOM 582 CG TRP A 115 2.627 -4.577 -5.188 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.628 -5.582 -6.103 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.312 -3.455 -5.818 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.267 -5.140 -7.251 1.00 0.00 N ATOM 586 CE2 TRP A 115 3.705 -3.837 -7.124 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.623 -2.152 -5.384 1.00 0.00 C ATOM 588 CZ2 TRP A 115 4.384 -2.957 -7.969 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.306 -1.265 -6.233 1.00 0.00 C ATOM 590 CH2 TRP A 115 4.685 -1.667 -7.522 1.00 0.00 C ATOM 0 H TRP A 115 -0.212 -4.337 -4.923 1.00 0.00 H new ATOM 0 HA TRP A 115 1.301 -6.701 -3.834 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.650 -3.659 -3.530 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.829 -4.876 -3.087 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.201 -6.564 -5.959 1.00 0.00 H new ATOM 0 HE1 TRP A 115 3.398 -5.708 -8.088 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.335 -1.833 -4.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 4.675 -3.271 -8.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.541 -0.268 -5.891 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.209 -0.980 -8.169 1.00 0.00 H new ATOM 601 N LYS A 116 0.833 -6.253 -1.346 1.00 0.00 N ATOM 602 CA LYS A 116 0.261 -6.191 0.034 1.00 0.00 C ATOM 603 C LYS A 116 1.074 -5.198 0.869 1.00 0.00 C ATOM 604 O LYS A 116 2.280 -5.310 0.939 1.00 0.00 O ATOM 605 CB LYS A 116 0.414 -7.608 0.594 1.00 0.00 C ATOM 606 CG LYS A 116 -0.867 -8.005 1.334 1.00 0.00 C ATOM 607 CD LYS A 116 -0.555 -9.130 2.322 1.00 0.00 C ATOM 608 CE LYS A 116 -1.721 -9.289 3.303 1.00 0.00 C ATOM 609 NZ LYS A 116 -1.085 -9.590 4.615 1.00 0.00 N ATOM 0 H LYS A 116 1.667 -6.833 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.779 -5.864 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.612 -8.311 -0.215 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.267 -7.653 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.276 -7.144 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.625 -8.331 0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.388 -10.064 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.363 -8.906 2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.320 -8.380 3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.389 -10.093 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -1.823 -9.779 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.473 -10.426 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.514 -8.776 4.919 1.00 0.00 H new ATOM 623 N ALA A 117 0.441 -4.228 1.492 1.00 0.00 N ATOM 624 CA ALA A 117 1.221 -3.238 2.299 1.00 0.00 C ATOM 625 C ALA A 117 0.562 -2.950 3.659 1.00 0.00 C ATOM 626 O ALA A 117 -0.608 -3.217 3.873 1.00 0.00 O ATOM 627 CB ALA A 117 1.237 -1.973 1.446 1.00 0.00 C ATOM 0 H ALA A 117 -0.568 -4.082 1.476 1.00 0.00 H new ATOM 0 HA ALA A 117 2.218 -3.615 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.791 -1.191 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.717 -2.185 0.490 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.214 -1.638 1.272 1.00 0.00 H new ATOM 633 N ARG A 118 1.316 -2.386 4.579 1.00 0.00 N ATOM 634 CA ARG A 118 0.767 -2.058 5.917 1.00 0.00 C ATOM 635 C ARG A 118 0.678 -0.536 6.084 1.00 0.00 C ATOM 636 O ARG A 118 1.670 0.166 6.019 1.00 0.00 O ATOM 637 CB ARG A 118 1.766 -2.672 6.912 1.00 0.00 C ATOM 638 CG ARG A 118 1.435 -2.251 8.353 1.00 0.00 C ATOM 639 CD ARG A 118 2.694 -1.717 9.046 1.00 0.00 C ATOM 640 NE ARG A 118 2.305 -1.535 10.480 1.00 0.00 N ATOM 641 CZ ARG A 118 3.194 -1.201 11.396 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.460 -1.023 11.096 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.807 -1.051 12.631 1.00 0.00 N ATOM 0 H ARG A 118 2.297 -2.141 4.448 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.240 -2.447 6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.743 -3.759 6.832 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.778 -2.355 6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.660 -1.484 8.348 1.00 0.00 H new ATOM 0 HG3 ARG A 118 1.038 -3.102 8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.524 -2.417 8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.018 -0.775 8.603 1.00 0.00 H new ATOM 0 HE ARG A 118 1.332 -1.672 10.755 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.778 -1.143 10.134 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.125 -0.765 11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.828 -1.192 12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.483 -0.793 13.350 1.00 0.00 H new ATOM 657 N SER A 119 -0.506 -0.031 6.315 1.00 0.00 N ATOM 658 CA SER A 119 -0.675 1.439 6.507 1.00 0.00 C ATOM 659 C SER A 119 -0.107 1.844 7.866 1.00 0.00 C ATOM 660 O SER A 119 -0.652 1.501 8.900 1.00 0.00 O ATOM 661 CB SER A 119 -2.183 1.683 6.466 1.00 0.00 C ATOM 662 OG SER A 119 -2.435 2.985 5.952 1.00 0.00 O ATOM 0 H SER A 119 -1.366 -0.576 6.379 1.00 0.00 H new ATOM 0 HA SER A 119 -0.155 2.020 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.667 0.933 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.606 1.586 7.466 1.00 0.00 H new ATOM 0 HG SER A 119 -3.402 3.144 5.923 1.00 0.00 H new ATOM 668 N LEU A 120 0.985 2.566 7.867 1.00 0.00 N ATOM 669 CA LEU A 120 1.606 2.999 9.157 1.00 0.00 C ATOM 670 C LEU A 120 0.674 3.953 9.909 1.00 0.00 C ATOM 671 O LEU A 120 0.737 4.062 11.120 1.00 0.00 O ATOM 672 CB LEU A 120 2.899 3.720 8.763 1.00 0.00 C ATOM 673 CG LEU A 120 3.969 2.691 8.392 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.893 3.271 7.313 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.790 2.342 9.637 1.00 0.00 C ATOM 0 H LEU A 120 1.475 2.875 7.028 1.00 0.00 H new ATOM 0 HA LEU A 120 1.795 2.153 9.818 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.713 4.386 7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.247 4.340 9.589 1.00 0.00 H new ATOM 0 HG LEU A 120 3.489 1.791 8.007 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.654 2.535 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.308 3.518 6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.375 4.172 7.693 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.553 1.609 9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.268 3.243 10.022 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.133 1.926 10.401 1.00 0.00 H new ATOM 687 N ALA A 121 -0.180 4.647 9.201 1.00 0.00 N ATOM 688 CA ALA A 121 -1.116 5.600 9.877 1.00 0.00 C ATOM 689 C ALA A 121 -2.043 4.841 10.827 1.00 0.00 C ATOM 690 O ALA A 121 -2.480 5.367 11.834 1.00 0.00 O ATOM 691 CB ALA A 121 -1.918 6.249 8.747 1.00 0.00 C ATOM 0 H ALA A 121 -0.271 4.596 8.186 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.586 6.343 10.473 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.627 6.962 9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.239 6.768 8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.460 5.480 8.197 1.00 0.00 H new ATOM 697 N THR A 122 -2.344 3.606 10.516 1.00 0.00 N ATOM 698 CA THR A 122 -3.242 2.798 11.397 1.00 0.00 C ATOM 699 C THR A 122 -2.611 1.434 11.719 1.00 0.00 C ATOM 700 O THR A 122 -3.259 0.569 12.277 1.00 0.00 O ATOM 701 CB THR A 122 -4.523 2.602 10.581 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.189 2.107 9.291 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.260 3.934 10.443 1.00 0.00 C ATOM 0 H THR A 122 -2.005 3.120 9.686 1.00 0.00 H new ATOM 0 HA THR A 122 -3.424 3.294 12.350 1.00 0.00 H new ATOM 0 HB THR A 122 -5.169 1.888 11.091 1.00 0.00 H new ATOM 0 HG1 THR A 122 -4.983 2.130 8.716 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.170 3.788 9.862 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.518 4.311 11.433 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.618 4.654 9.936 1.00 0.00 H new ATOM 711 N ARG A 123 -1.360 1.223 11.358 1.00 0.00 N ATOM 712 CA ARG A 123 -0.697 -0.099 11.622 1.00 0.00 C ATOM 713 C ARG A 123 -1.550 -1.235 11.042 1.00 0.00 C ATOM 714 O ARG A 123 -1.535 -2.350 11.529 1.00 0.00 O ATOM 715 CB ARG A 123 -0.594 -0.222 13.146 1.00 0.00 C ATOM 716 CG ARG A 123 0.332 0.870 13.690 1.00 0.00 C ATOM 717 CD ARG A 123 1.141 0.320 14.870 1.00 0.00 C ATOM 718 NE ARG A 123 0.268 0.520 16.071 1.00 0.00 N ATOM 719 CZ ARG A 123 0.567 -0.026 17.234 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.641 -0.765 17.394 1.00 0.00 N ATOM 721 NH2 ARG A 123 -0.225 0.174 18.251 1.00 0.00 N ATOM 0 H ARG A 123 -0.771 1.912 10.891 1.00 0.00 H new ATOM 0 HA ARG A 123 0.286 -0.162 11.156 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.583 -0.131 13.596 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.210 -1.206 13.416 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.005 1.215 12.905 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.254 1.732 14.009 1.00 0.00 H new ATOM 0 HD2 ARG A 123 1.379 -0.734 14.727 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.088 0.849 14.979 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.574 1.090 15.988 1.00 0.00 H new ATOM 0 HH11 ARG A 123 2.269 -0.929 16.607 1.00 0.00 H new ATOM 0 HH12 ARG A 123 1.847 -1.175 18.305 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -1.062 0.746 18.141 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -0.007 -0.242 19.157 1.00 0.00 H new ATOM 735 N LYS A 124 -2.283 -0.952 9.992 1.00 0.00 N ATOM 736 CA LYS A 124 -3.136 -2.001 9.354 1.00 0.00 C ATOM 737 C LYS A 124 -2.398 -2.588 8.162 1.00 0.00 C ATOM 738 O LYS A 124 -1.335 -2.133 7.817 1.00 0.00 O ATOM 739 CB LYS A 124 -4.392 -1.269 8.881 1.00 0.00 C ATOM 740 CG LYS A 124 -5.156 -0.712 10.088 1.00 0.00 C ATOM 741 CD LYS A 124 -6.389 -1.575 10.367 1.00 0.00 C ATOM 742 CE LYS A 124 -7.523 -1.172 9.421 1.00 0.00 C ATOM 743 NZ LYS A 124 -8.383 -0.254 10.220 1.00 0.00 N ATOM 0 H LYS A 124 -2.326 -0.035 9.548 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.376 -2.815 10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.118 -0.458 8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.030 -1.950 8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.507 -0.695 10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -5.458 0.317 9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -6.146 -2.629 10.231 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.705 -1.452 11.403 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -7.137 -0.676 8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -8.083 -2.044 9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -9.184 0.066 9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -8.742 -0.755 11.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -7.824 0.570 10.522 1.00 0.00 H new ATOM 757 N GLU A 125 -2.958 -3.576 7.521 1.00 0.00 N ATOM 758 CA GLU A 125 -2.271 -4.176 6.330 1.00 0.00 C ATOM 759 C GLU A 125 -3.265 -4.851 5.395 1.00 0.00 C ATOM 760 O GLU A 125 -4.200 -5.505 5.818 1.00 0.00 O ATOM 761 CB GLU A 125 -1.218 -5.188 6.843 1.00 0.00 C ATOM 762 CG GLU A 125 -1.624 -5.827 8.179 1.00 0.00 C ATOM 763 CD GLU A 125 -2.970 -6.536 8.031 1.00 0.00 C ATOM 764 OE1 GLU A 125 -2.975 -7.666 7.570 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.974 -5.936 8.380 1.00 0.00 O ATOM 0 H GLU A 125 -3.855 -3.995 7.764 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.785 -3.389 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -1.076 -5.970 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.259 -4.683 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.862 -6.538 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.690 -5.062 8.953 1.00 0.00 H new ATOM 772 N GLY A 126 -3.049 -4.699 4.115 1.00 0.00 N ATOM 773 CA GLY A 126 -3.954 -5.325 3.119 1.00 0.00 C ATOM 774 C GLY A 126 -3.361 -5.178 1.717 1.00 0.00 C ATOM 775 O GLY A 126 -2.162 -5.130 1.548 1.00 0.00 O ATOM 0 H GLY A 126 -2.277 -4.163 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.096 -6.380 3.355 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.936 -4.854 3.160 1.00 0.00 H new ATOM 779 N TYR A 127 -4.202 -5.101 0.721 1.00 0.00 N ATOM 780 CA TYR A 127 -3.718 -4.973 -0.692 1.00 0.00 C ATOM 781 C TYR A 127 -3.651 -3.505 -1.112 1.00 0.00 C ATOM 782 O TYR A 127 -4.216 -2.641 -0.472 1.00 0.00 O ATOM 783 CB TYR A 127 -4.771 -5.690 -1.551 1.00 0.00 C ATOM 784 CG TYR A 127 -5.008 -7.096 -1.049 1.00 0.00 C ATOM 785 CD1 TYR A 127 -4.004 -8.065 -1.156 1.00 0.00 C ATOM 786 CD2 TYR A 127 -6.240 -7.424 -0.479 1.00 0.00 C ATOM 787 CE1 TYR A 127 -4.234 -9.363 -0.687 1.00 0.00 C ATOM 788 CE2 TYR A 127 -6.473 -8.718 -0.009 1.00 0.00 C ATOM 789 CZ TYR A 127 -5.468 -9.693 -0.112 1.00 0.00 C ATOM 790 OH TYR A 127 -5.690 -10.978 0.353 1.00 0.00 O ATOM 0 H TYR A 127 -5.217 -5.121 0.824 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.720 -5.396 -0.805 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.706 -5.130 -1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.440 -5.721 -2.589 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.053 -7.811 -1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -7.014 -6.675 -0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -3.459 -10.111 -0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -7.426 -8.969 0.434 1.00 0.00 H new ATOM 0 HH TYR A 127 -6.595 -11.040 0.723 1.00 0.00 H new ATOM 800 N ILE A 128 -2.974 -3.230 -2.198 1.00 0.00 N ATOM 801 CA ILE A 128 -2.865 -1.825 -2.699 1.00 0.00 C ATOM 802 C ILE A 128 -2.591 -1.836 -4.218 1.00 0.00 C ATOM 803 O ILE A 128 -1.538 -2.270 -4.639 1.00 0.00 O ATOM 804 CB ILE A 128 -1.690 -1.171 -1.943 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.455 -2.089 -1.953 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.104 -0.888 -0.495 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.809 -1.248 -2.143 1.00 0.00 C ATOM 0 H ILE A 128 -2.488 -3.925 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.787 -1.269 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.434 -0.237 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.396 -2.646 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.540 -2.822 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.273 -0.426 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -2.960 -0.213 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.374 -1.823 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.682 -1.900 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.750 -0.711 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.897 -0.533 -1.325 1.00 0.00 H new ATOM 819 N PRO A 129 -3.553 -1.372 -5.010 1.00 0.00 N ATOM 820 CA PRO A 129 -3.388 -1.352 -6.494 1.00 0.00 C ATOM 821 C PRO A 129 -1.988 -0.878 -6.913 1.00 0.00 C ATOM 822 O PRO A 129 -1.685 0.300 -6.903 1.00 0.00 O ATOM 823 CB PRO A 129 -4.448 -0.366 -6.973 1.00 0.00 C ATOM 824 CG PRO A 129 -5.473 -0.295 -5.883 1.00 0.00 C ATOM 825 CD PRO A 129 -4.863 -0.835 -4.610 1.00 0.00 C ATOM 0 HA PRO A 129 -3.500 -2.347 -6.924 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -4.011 0.615 -7.161 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.897 -0.700 -7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.800 0.735 -5.738 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -6.355 -0.875 -6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -4.755 -0.051 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -5.490 -1.611 -4.171 1.00 0.00 H new ATOM 833 N SER A 130 -1.145 -1.805 -7.285 1.00 0.00 N ATOM 834 CA SER A 130 0.247 -1.454 -7.712 1.00 0.00 C ATOM 835 C SER A 130 0.244 -0.417 -8.845 1.00 0.00 C ATOM 836 O SER A 130 1.236 0.249 -9.078 1.00 0.00 O ATOM 837 CB SER A 130 0.843 -2.771 -8.211 1.00 0.00 C ATOM 838 OG SER A 130 0.929 -3.686 -7.131 1.00 0.00 O ATOM 0 H SER A 130 -1.361 -2.801 -7.312 1.00 0.00 H new ATOM 0 HA SER A 130 0.816 -1.012 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.223 -3.186 -9.006 1.00 0.00 H new ATOM 0 HB3 SER A 130 1.832 -2.598 -8.636 1.00 0.00 H new ATOM 0 HG SER A 130 1.869 -3.909 -6.965 1.00 0.00 H new ATOM 844 N ASN A 131 -0.850 -0.283 -9.561 1.00 0.00 N ATOM 845 CA ASN A 131 -0.891 0.708 -10.685 1.00 0.00 C ATOM 846 C ASN A 131 -1.381 2.087 -10.208 1.00 0.00 C ATOM 847 O ASN A 131 -1.898 2.867 -10.984 1.00 0.00 O ATOM 848 CB ASN A 131 -1.851 0.115 -11.723 1.00 0.00 C ATOM 849 CG ASN A 131 -3.236 -0.082 -11.107 1.00 0.00 C ATOM 850 OD1 ASN A 131 -3.395 -0.834 -10.165 1.00 0.00 O ATOM 851 ND2 ASN A 131 -4.256 0.560 -11.607 1.00 0.00 N ATOM 0 H ASN A 131 -1.710 -0.813 -9.417 1.00 0.00 H new ATOM 0 HA ASN A 131 0.103 0.873 -11.100 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.919 0.777 -12.586 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -1.466 -0.839 -12.083 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -5.186 0.431 -11.208 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -4.124 1.191 -12.397 1.00 0.00 H new ATOM 858 N TYR A 132 -1.210 2.395 -8.945 1.00 0.00 N ATOM 859 CA TYR A 132 -1.634 3.736 -8.419 1.00 0.00 C ATOM 860 C TYR A 132 -0.807 4.076 -7.179 1.00 0.00 C ATOM 861 O TYR A 132 -1.275 4.730 -6.263 1.00 0.00 O ATOM 862 CB TYR A 132 -3.115 3.604 -8.046 1.00 0.00 C ATOM 863 CG TYR A 132 -3.976 3.709 -9.288 1.00 0.00 C ATOM 864 CD1 TYR A 132 -3.779 4.757 -10.199 1.00 0.00 C ATOM 865 CD2 TYR A 132 -4.972 2.757 -9.526 1.00 0.00 C ATOM 866 CE1 TYR A 132 -4.576 4.847 -11.345 1.00 0.00 C ATOM 867 CE2 TYR A 132 -5.769 2.848 -10.672 1.00 0.00 C ATOM 868 CZ TYR A 132 -5.570 3.893 -11.582 1.00 0.00 C ATOM 869 OH TYR A 132 -6.358 3.981 -12.713 1.00 0.00 O ATOM 0 H TYR A 132 -0.793 1.774 -8.251 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.485 4.526 -9.155 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -3.290 2.648 -7.553 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.390 4.384 -7.336 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.012 5.495 -10.016 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.126 1.951 -8.824 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -4.423 5.654 -12.047 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -6.538 2.112 -10.855 1.00 0.00 H new ATOM 0 HH TYR A 132 -6.998 3.239 -12.725 1.00 0.00 H new ATOM 879 N VAL A 133 0.420 3.624 -7.141 1.00 0.00 N ATOM 880 CA VAL A 133 1.288 3.894 -5.960 1.00 0.00 C ATOM 881 C VAL A 133 2.756 3.990 -6.380 1.00 0.00 C ATOM 882 O VAL A 133 3.122 3.666 -7.494 1.00 0.00 O ATOM 883 CB VAL A 133 1.057 2.695 -5.029 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.378 1.386 -5.761 1.00 0.00 C ATOM 885 CG2 VAL A 133 1.941 2.802 -3.788 1.00 0.00 C ATOM 0 H VAL A 133 0.858 3.077 -7.882 1.00 0.00 H new ATOM 0 HA VAL A 133 1.049 4.841 -5.475 1.00 0.00 H new ATOM 0 HB VAL A 133 0.010 2.698 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.210 0.543 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.732 1.289 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.420 1.394 -6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 133 1.764 1.944 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 133 2.989 2.820 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 133 1.702 3.719 -3.249 1.00 0.00 H new ATOM 895 N ALA A 134 3.590 4.431 -5.480 1.00 0.00 N ATOM 896 CA ALA A 134 5.051 4.554 -5.791 1.00 0.00 C ATOM 897 C ALA A 134 5.881 3.944 -4.653 1.00 0.00 C ATOM 898 O ALA A 134 5.733 4.311 -3.502 1.00 0.00 O ATOM 899 CB ALA A 134 5.309 6.059 -5.907 1.00 0.00 C ATOM 0 H ALA A 134 3.326 4.714 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 134 5.329 4.028 -6.704 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.361 6.231 -6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.693 6.473 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.057 6.545 -4.964 1.00 0.00 H new ATOM 905 N ARG A 135 6.734 2.994 -4.961 1.00 0.00 N ATOM 906 CA ARG A 135 7.549 2.339 -3.905 1.00 0.00 C ATOM 907 C ARG A 135 8.902 3.025 -3.701 1.00 0.00 C ATOM 908 O ARG A 135 9.688 3.167 -4.618 1.00 0.00 O ATOM 909 CB ARG A 135 7.762 0.914 -4.413 1.00 0.00 C ATOM 910 CG ARG A 135 8.495 0.109 -3.342 1.00 0.00 C ATOM 911 CD ARG A 135 8.013 -1.344 -3.354 1.00 0.00 C ATOM 912 NE ARG A 135 8.313 -1.841 -4.739 1.00 0.00 N ATOM 913 CZ ARG A 135 8.194 -3.113 -5.054 1.00 0.00 C ATOM 914 NH1 ARG A 135 7.829 -4.010 -4.169 1.00 0.00 N ATOM 915 NH2 ARG A 135 8.451 -3.491 -6.277 1.00 0.00 N ATOM 0 H ARG A 135 6.896 2.647 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 135 7.045 2.385 -2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 135 6.803 0.449 -4.643 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.340 0.926 -5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.570 0.145 -3.521 1.00 0.00 H new ATOM 0 HG3 ARG A 135 8.320 0.550 -2.361 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.531 -1.938 -2.601 1.00 0.00 H new ATOM 0 HD3 ARG A 135 6.947 -1.408 -3.134 1.00 0.00 H new ATOM 0 HE ARG A 135 8.616 -1.177 -5.452 1.00 0.00 H new ATOM 0 HH11 ARG A 135 7.629 -3.728 -3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 135 7.745 -4.990 -4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 135 8.740 -2.804 -6.973 1.00 0.00 H new ATOM 0 HH22 ARG A 135 8.363 -4.474 -6.536 1.00 0.00 H new