USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 650 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -164:sc=-0.00953 (180deg=-0.239) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 149:sc= 1.22 USER MOD Single : A 23 THR OG1 : rot -100:sc= 0.284 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0.883 (180deg=0.782) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 36 CYS SG : rot 180:sc= 0.15 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0792 USER MOD Single : A 49 GLN : amide:sc= -0.0521 X(o=-0.052,f=-0.37) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= -0.0403 (180deg=-0.0403) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -171:sc=-0.000149 (180deg=-0.0741) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0649 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 130:sc= 0.713 (180deg=-0.712) USER MOD Single : A 76 MET CE :methyl 162:sc=-0.00921 (180deg=-0.699) USER MOD Single : A 77 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.022) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc=-0.00412 X(o=-0.0041,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -2.442 -8.757 -8.409 1.00 0.00 N ATOM 84 CA TYR A 9 -2.176 -8.979 -6.990 1.00 0.00 C ATOM 85 C TYR A 9 -2.002 -10.451 -6.642 1.00 0.00 C ATOM 86 O TYR A 9 -1.141 -10.782 -5.830 1.00 0.00 O ATOM 87 CB TYR A 9 -3.286 -8.364 -6.125 1.00 0.00 C ATOM 88 CG TYR A 9 -4.715 -8.617 -6.566 1.00 0.00 C ATOM 89 CD1 TYR A 9 -5.295 -7.732 -7.488 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.483 -9.675 -6.041 1.00 0.00 C ATOM 91 CE1 TYR A 9 -6.618 -7.908 -7.904 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.823 -9.846 -6.440 1.00 0.00 C ATOM 93 CZ TYR A 9 -7.400 -8.956 -7.376 1.00 0.00 C ATOM 94 OH TYR A 9 -8.701 -9.069 -7.771 1.00 0.00 O ATOM 0 HA TYR A 9 -1.230 -8.483 -6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.172 -8.740 -5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.128 -7.286 -6.085 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.715 -6.909 -7.879 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.042 -10.358 -5.330 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -7.044 -7.237 -8.635 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.409 -10.656 -6.032 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.113 -9.838 -7.325 1.00 0.00 H new ATOM 104 N GLU A 10 -2.809 -11.315 -7.257 1.00 0.00 N ATOM 105 CA GLU A 10 -2.784 -12.760 -7.081 1.00 0.00 C ATOM 106 C GLU A 10 -1.370 -13.318 -7.236 1.00 0.00 C ATOM 107 O GLU A 10 -0.931 -14.086 -6.385 1.00 0.00 O ATOM 108 CB GLU A 10 -3.717 -13.388 -8.127 1.00 0.00 C ATOM 109 CG GLU A 10 -5.162 -13.530 -7.639 1.00 0.00 C ATOM 110 CD GLU A 10 -5.386 -14.921 -7.052 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.134 -15.130 -5.847 1.00 0.00 O ATOM 112 OE2 GLU A 10 -5.772 -15.843 -7.813 1.00 0.00 O ATOM 0 H GLU A 10 -3.525 -11.012 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.120 -13.004 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.704 -12.777 -9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.335 -14.371 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.376 -12.771 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.851 -13.361 -8.466 1.00 0.00 H new ATOM 119 N LEU A 11 -0.681 -12.930 -8.312 1.00 0.00 N ATOM 120 CA LEU A 11 0.628 -13.441 -8.708 1.00 0.00 C ATOM 121 C LEU A 11 1.693 -13.022 -7.692 1.00 0.00 C ATOM 122 O LEU A 11 2.476 -13.851 -7.215 1.00 0.00 O ATOM 123 CB LEU A 11 0.875 -12.980 -10.163 1.00 0.00 C ATOM 124 CG LEU A 11 2.229 -13.265 -10.847 1.00 0.00 C ATOM 125 CD1 LEU A 11 3.234 -12.145 -10.597 1.00 0.00 C ATOM 126 CD2 LEU A 11 2.881 -14.593 -10.471 1.00 0.00 C ATOM 0 H LEU A 11 -1.037 -12.223 -8.955 1.00 0.00 H new ATOM 0 HA LEU A 11 0.676 -14.530 -8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.099 -13.431 -10.781 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.719 -11.902 -10.192 1.00 0.00 H new ATOM 0 HG LEU A 11 1.970 -13.326 -11.904 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.174 -12.382 -11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.841 -11.208 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.406 -12.043 -9.526 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.826 -14.698 -11.004 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.066 -14.617 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.218 -15.414 -10.743 1.00 0.00 H new ATOM 138 N TYR A 12 1.709 -11.745 -7.309 1.00 0.00 N ATOM 139 CA TYR A 12 2.676 -11.252 -6.327 1.00 0.00 C ATOM 140 C TYR A 12 2.384 -11.781 -4.920 1.00 0.00 C ATOM 141 O TYR A 12 3.290 -11.833 -4.087 1.00 0.00 O ATOM 142 CB TYR A 12 2.746 -9.718 -6.347 1.00 0.00 C ATOM 143 CG TYR A 12 3.057 -9.137 -7.716 1.00 0.00 C ATOM 144 CD1 TYR A 12 4.119 -9.658 -8.482 1.00 0.00 C ATOM 145 CD2 TYR A 12 2.249 -8.117 -8.251 1.00 0.00 C ATOM 146 CE1 TYR A 12 4.322 -9.231 -9.804 1.00 0.00 C ATOM 147 CE2 TYR A 12 2.478 -7.646 -9.554 1.00 0.00 C ATOM 148 CZ TYR A 12 3.494 -8.224 -10.350 1.00 0.00 C ATOM 149 OH TYR A 12 3.656 -7.814 -11.637 1.00 0.00 O ATOM 0 H TYR A 12 1.066 -11.036 -7.662 1.00 0.00 H new ATOM 0 HA TYR A 12 3.655 -11.637 -6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.795 -9.315 -5.999 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.509 -9.389 -5.641 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.782 -10.392 -8.048 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.451 -7.695 -7.658 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.107 -9.670 -10.401 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.877 -6.840 -9.949 1.00 0.00 H new ATOM 0 HH TYR A 12 3.000 -7.116 -11.843 1.00 0.00 H new ATOM 159 N MET A 13 1.155 -12.231 -4.644 1.00 0.00 N ATOM 160 CA MET A 13 0.754 -12.751 -3.342 1.00 0.00 C ATOM 161 C MET A 13 1.616 -13.935 -2.903 1.00 0.00 C ATOM 162 O MET A 13 1.761 -14.168 -1.699 1.00 0.00 O ATOM 163 CB MET A 13 -0.717 -13.195 -3.392 1.00 0.00 C ATOM 164 CG MET A 13 -1.405 -13.077 -2.029 1.00 0.00 C ATOM 165 SD MET A 13 -3.205 -12.857 -2.038 1.00 0.00 S ATOM 166 CE MET A 13 -3.353 -11.211 -2.795 1.00 0.00 C ATOM 0 H MET A 13 0.403 -12.242 -5.333 1.00 0.00 H new ATOM 0 HA MET A 13 0.888 -11.948 -2.617 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.253 -12.588 -4.121 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.771 -14.228 -3.736 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.175 -13.974 -1.454 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.962 -12.235 -1.497 1.00 0.00 H new ATOM 0 HE1 MET A 13 -4.353 -10.816 -2.614 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.613 -10.541 -2.357 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.182 -11.288 -3.869 1.00 0.00 H new ATOM 176 N TYR A 14 2.152 -14.701 -3.854 1.00 0.00 N ATOM 177 CA TYR A 14 2.932 -15.898 -3.573 1.00 0.00 C ATOM 178 C TYR A 14 4.404 -15.602 -3.325 1.00 0.00 C ATOM 179 O TYR A 14 5.142 -16.509 -2.936 1.00 0.00 O ATOM 180 CB TYR A 14 2.859 -16.857 -4.763 1.00 0.00 C ATOM 181 CG TYR A 14 1.495 -16.992 -5.395 1.00 0.00 C ATOM 182 CD1 TYR A 14 0.375 -17.279 -4.596 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.346 -16.786 -6.778 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.901 -17.331 -5.173 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.075 -16.895 -7.368 1.00 0.00 C ATOM 186 CZ TYR A 14 -1.061 -17.154 -6.567 1.00 0.00 C ATOM 187 OH TYR A 14 -2.304 -17.187 -7.128 1.00 0.00 O ATOM 0 H TYR A 14 2.054 -14.502 -4.850 1.00 0.00 H new ATOM 0 HA TYR A 14 2.503 -16.334 -2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.563 -16.521 -5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.190 -17.843 -4.436 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.498 -17.459 -3.538 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.206 -16.545 -7.385 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.766 -17.507 -4.551 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.034 -16.781 -8.436 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.230 -17.047 -8.095 1.00 0.00 H new ATOM 197 N ARG A 15 4.863 -14.391 -3.624 1.00 0.00 N ATOM 198 CA ARG A 15 6.265 -14.061 -3.757 1.00 0.00 C ATOM 199 C ARG A 15 6.637 -13.111 -2.626 1.00 0.00 C ATOM 200 O ARG A 15 6.015 -13.145 -1.562 1.00 0.00 O ATOM 201 CB ARG A 15 6.490 -13.532 -5.192 1.00 0.00 C ATOM 202 CG ARG A 15 7.695 -14.212 -5.854 1.00 0.00 C ATOM 203 CD ARG A 15 9.041 -14.057 -5.129 1.00 0.00 C ATOM 204 NE ARG A 15 9.713 -12.761 -5.339 1.00 0.00 N ATOM 205 CZ ARG A 15 10.891 -12.431 -4.780 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.482 -13.274 -3.934 1.00 0.00 N ATOM 207 NH2 ARG A 15 11.471 -11.265 -5.052 1.00 0.00 N ATOM 0 H ARG A 15 4.247 -13.594 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 15 6.935 -14.914 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.596 -13.708 -5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.648 -12.454 -5.164 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.478 -15.276 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.801 -13.815 -6.864 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.880 -14.197 -4.060 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.708 -14.854 -5.458 1.00 0.00 H new ATOM 0 HE ARG A 15 9.258 -12.076 -5.943 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.041 -14.167 -3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.375 -13.027 -3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.022 -10.609 -5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.364 -11.027 -4.621 1.00 0.00 H new ATOM 221 N GLU A 16 7.684 -12.321 -2.814 1.00 0.00 N ATOM 222 CA GLU A 16 8.001 -11.172 -1.995 1.00 0.00 C ATOM 223 C GLU A 16 8.381 -10.036 -2.936 1.00 0.00 C ATOM 224 O GLU A 16 8.485 -10.229 -4.151 1.00 0.00 O ATOM 225 CB GLU A 16 9.030 -11.543 -0.906 1.00 0.00 C ATOM 226 CG GLU A 16 10.492 -11.201 -1.210 1.00 0.00 C ATOM 227 CD GLU A 16 11.458 -12.154 -0.499 1.00 0.00 C ATOM 228 OE1 GLU A 16 11.558 -12.106 0.754 1.00 0.00 O ATOM 229 OE2 GLU A 16 12.098 -12.981 -1.186 1.00 0.00 O ATOM 0 H GLU A 16 8.355 -12.472 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 16 7.151 -10.819 -1.411 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.746 -11.040 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.961 -12.615 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.660 -11.248 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.698 -10.176 -0.900 1.00 0.00 H new ATOM 236 N VAL A 17 8.539 -8.844 -2.386 1.00 0.00 N ATOM 237 CA VAL A 17 8.850 -7.636 -3.120 1.00 0.00 C ATOM 238 C VAL A 17 9.750 -6.810 -2.213 1.00 0.00 C ATOM 239 O VAL A 17 9.788 -7.016 -0.992 1.00 0.00 O ATOM 240 CB VAL A 17 7.545 -6.916 -3.529 1.00 0.00 C ATOM 241 CG1 VAL A 17 6.640 -6.659 -2.319 1.00 0.00 C ATOM 242 CG2 VAL A 17 7.804 -5.592 -4.255 1.00 0.00 C ATOM 0 H VAL A 17 8.451 -8.689 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 17 9.372 -7.830 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 17 7.041 -7.591 -4.221 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.732 -6.151 -2.645 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.377 -7.609 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.166 -6.034 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.853 -5.130 -4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.364 -4.923 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.379 -5.781 -5.161 1.00 0.00 H new ATOM 252 N ASP A 18 10.480 -5.873 -2.797 1.00 0.00 N ATOM 253 CA ASP A 18 11.432 -5.059 -2.080 1.00 0.00 C ATOM 254 C ASP A 18 10.693 -3.869 -1.504 1.00 0.00 C ATOM 255 O ASP A 18 10.631 -2.820 -2.134 1.00 0.00 O ATOM 256 CB ASP A 18 12.557 -4.647 -3.027 1.00 0.00 C ATOM 257 CG ASP A 18 13.389 -5.866 -3.365 1.00 0.00 C ATOM 258 OD1 ASP A 18 14.255 -6.188 -2.514 1.00 0.00 O ATOM 259 OD2 ASP A 18 13.102 -6.521 -4.392 1.00 0.00 O ATOM 0 H ASP A 18 10.423 -5.659 -3.793 1.00 0.00 H new ATOM 0 HA ASP A 18 11.891 -5.608 -1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.143 -4.210 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.180 -3.883 -2.562 1.00 0.00 H new ATOM 264 N THR A 19 10.132 -3.986 -0.301 1.00 0.00 N ATOM 265 CA THR A 19 9.269 -2.943 0.252 1.00 0.00 C ATOM 266 C THR A 19 10.020 -1.633 0.550 1.00 0.00 C ATOM 267 O THR A 19 9.379 -0.642 0.894 1.00 0.00 O ATOM 268 CB THR A 19 8.520 -3.479 1.485 1.00 0.00 C ATOM 269 OG1 THR A 19 9.409 -4.090 2.392 1.00 0.00 O ATOM 270 CG2 THR A 19 7.470 -4.526 1.095 1.00 0.00 C ATOM 0 H THR A 19 10.260 -4.793 0.310 1.00 0.00 H new ATOM 0 HA THR A 19 8.536 -2.682 -0.512 1.00 0.00 H new ATOM 0 HB THR A 19 8.035 -2.619 1.946 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.076 -3.972 3.306 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.961 -4.882 1.991 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.743 -4.077 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.959 -5.364 0.598 1.00 0.00 H new ATOM 278 N LEU A 20 11.355 -1.613 0.438 1.00 0.00 N ATOM 279 CA LEU A 20 12.206 -0.437 0.540 1.00 0.00 C ATOM 280 C LEU A 20 12.490 0.217 -0.818 1.00 0.00 C ATOM 281 O LEU A 20 12.836 1.396 -0.847 1.00 0.00 O ATOM 282 CB LEU A 20 13.537 -0.860 1.188 1.00 0.00 C ATOM 283 CG LEU A 20 13.590 -0.763 2.724 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.539 0.693 3.204 1.00 0.00 C ATOM 285 CD2 LEU A 20 12.509 -1.599 3.421 1.00 0.00 C ATOM 0 H LEU A 20 11.890 -2.464 0.265 1.00 0.00 H new ATOM 0 HA LEU A 20 11.681 0.304 1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.750 -1.889 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.334 -0.242 0.775 1.00 0.00 H new ATOM 0 HG LEU A 20 14.552 -1.188 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.579 0.719 4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.389 1.240 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.613 1.156 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.602 -1.486 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.524 -1.257 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.632 -2.649 3.154 1.00 0.00 H new ATOM 297 N GLU A 21 12.412 -0.521 -1.927 1.00 0.00 N ATOM 298 CA GLU A 21 12.616 -0.026 -3.278 1.00 0.00 C ATOM 299 C GLU A 21 11.275 0.330 -3.901 1.00 0.00 C ATOM 300 O GLU A 21 11.154 1.349 -4.572 1.00 0.00 O ATOM 301 CB GLU A 21 13.267 -1.139 -4.108 1.00 0.00 C ATOM 302 CG GLU A 21 14.795 -1.070 -4.157 1.00 0.00 C ATOM 303 CD GLU A 21 15.258 0.187 -4.890 1.00 0.00 C ATOM 304 OE1 GLU A 21 15.344 0.163 -6.141 1.00 0.00 O ATOM 305 OE2 GLU A 21 15.445 1.217 -4.201 1.00 0.00 O ATOM 0 H GLU A 21 12.196 -1.518 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 21 13.252 0.859 -3.255 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.971 -2.104 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.879 -1.093 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.196 -1.074 -3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.188 -1.954 -4.659 1.00 0.00 H new ATOM 312 N LEU A 22 10.256 -0.485 -3.632 1.00 0.00 N ATOM 313 CA LEU A 22 8.874 -0.259 -3.997 1.00 0.00 C ATOM 314 C LEU A 22 8.459 1.138 -3.566 1.00 0.00 C ATOM 315 O LEU A 22 8.045 1.939 -4.396 1.00 0.00 O ATOM 316 CB LEU A 22 8.019 -1.335 -3.314 1.00 0.00 C ATOM 317 CG LEU A 22 6.509 -1.069 -3.376 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.012 -0.955 -4.815 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.788 -2.203 -2.645 1.00 0.00 C ATOM 0 H LEU A 22 10.387 -1.362 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 22 8.737 -0.327 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.227 -2.298 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.320 -1.414 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 22 6.296 -0.115 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.938 -0.767 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.525 -0.132 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.217 -1.885 -5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.712 -2.031 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.019 -3.152 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.118 -2.235 -1.607 1.00 0.00 H new ATOM 331 N THR A 23 8.576 1.444 -2.274 1.00 0.00 N ATOM 332 CA THR A 23 8.244 2.752 -1.743 1.00 0.00 C ATOM 333 C THR A 23 9.079 3.794 -2.472 1.00 0.00 C ATOM 334 O THR A 23 8.519 4.793 -2.891 1.00 0.00 O ATOM 335 CB THR A 23 8.509 2.761 -0.240 1.00 0.00 C ATOM 336 OG1 THR A 23 9.805 2.288 0.042 1.00 0.00 O ATOM 337 CG2 THR A 23 7.494 1.860 0.456 1.00 0.00 C ATOM 0 H THR A 23 8.906 0.784 -1.569 1.00 0.00 H new ATOM 0 HA THR A 23 7.191 2.986 -1.897 1.00 0.00 H new ATOM 0 HB THR A 23 8.420 3.786 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.757 1.351 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.680 1.864 1.530 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.487 2.228 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.589 0.843 0.075 1.00 0.00 H new ATOM 345 N ARG A 24 10.386 3.572 -2.643 1.00 0.00 N ATOM 346 CA ARG A 24 11.284 4.481 -3.362 1.00 0.00 C ATOM 347 C ARG A 24 10.728 4.850 -4.729 1.00 0.00 C ATOM 348 O ARG A 24 10.481 6.031 -4.954 1.00 0.00 O ATOM 349 CB ARG A 24 12.708 3.898 -3.474 1.00 0.00 C ATOM 350 CG ARG A 24 13.715 4.720 -2.676 1.00 0.00 C ATOM 351 CD ARG A 24 13.468 4.590 -1.169 1.00 0.00 C ATOM 352 NE ARG A 24 14.119 5.683 -0.429 1.00 0.00 N ATOM 353 CZ ARG A 24 15.380 5.661 0.023 1.00 0.00 C ATOM 354 NH1 ARG A 24 16.180 4.636 -0.235 1.00 0.00 N ATOM 355 NH2 ARG A 24 15.844 6.676 0.741 1.00 0.00 N ATOM 0 H ARG A 24 10.857 2.743 -2.280 1.00 0.00 H new ATOM 0 HA ARG A 24 11.351 5.399 -2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.710 2.869 -3.114 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.009 3.870 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.726 4.389 -2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.647 5.768 -2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.396 4.600 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.848 3.631 -0.816 1.00 0.00 H new ATOM 0 HE ARG A 24 13.568 6.522 -0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.838 3.848 -0.785 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.137 4.635 0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.241 7.472 0.948 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.804 6.660 1.086 1.00 0.00 H new ATOM 369 N GLN A 25 10.499 3.876 -5.609 1.00 0.00 N ATOM 370 CA GLN A 25 9.942 4.124 -6.930 1.00 0.00 C ATOM 371 C GLN A 25 8.606 4.845 -6.809 1.00 0.00 C ATOM 372 O GLN A 25 8.381 5.819 -7.517 1.00 0.00 O ATOM 373 CB GLN A 25 9.828 2.826 -7.740 1.00 0.00 C ATOM 374 CG GLN A 25 11.204 2.214 -8.043 1.00 0.00 C ATOM 375 CD GLN A 25 11.266 1.627 -9.449 1.00 0.00 C ATOM 376 OE1 GLN A 25 11.388 2.366 -10.423 1.00 0.00 O ATOM 377 NE2 GLN A 25 11.174 0.319 -9.601 1.00 0.00 N ATOM 0 H GLN A 25 10.696 2.893 -5.422 1.00 0.00 H new ATOM 0 HA GLN A 25 10.623 4.774 -7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.225 2.106 -7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.307 3.027 -8.676 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.974 2.978 -7.934 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.424 1.434 -7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.073 -0.283 -8.784 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.204 -0.089 -10.535 1.00 0.00 H new ATOM 386 N VAL A 26 7.733 4.421 -5.895 1.00 0.00 N ATOM 387 CA VAL A 26 6.452 5.073 -5.682 1.00 0.00 C ATOM 388 C VAL A 26 6.676 6.559 -5.333 1.00 0.00 C ATOM 389 O VAL A 26 6.177 7.436 -6.029 1.00 0.00 O ATOM 390 CB VAL A 26 5.633 4.293 -4.635 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.333 5.018 -4.291 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.277 2.871 -5.094 1.00 0.00 C ATOM 0 H VAL A 26 7.898 3.619 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 26 5.856 5.063 -6.595 1.00 0.00 H new ATOM 0 HB VAL A 26 6.276 4.229 -3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.780 4.441 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.562 6.004 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.728 5.127 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.701 2.371 -4.316 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.685 2.921 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.192 2.310 -5.284 1.00 0.00 H new ATOM 402 N LYS A 27 7.425 6.863 -4.272 1.00 0.00 N ATOM 403 CA LYS A 27 7.705 8.200 -3.743 1.00 0.00 C ATOM 404 C LYS A 27 8.311 9.070 -4.836 1.00 0.00 C ATOM 405 O LYS A 27 7.794 10.153 -5.109 1.00 0.00 O ATOM 406 CB LYS A 27 8.655 8.095 -2.528 1.00 0.00 C ATOM 407 CG LYS A 27 7.970 7.510 -1.276 1.00 0.00 C ATOM 408 CD LYS A 27 8.895 6.664 -0.381 1.00 0.00 C ATOM 409 CE LYS A 27 10.055 7.370 0.301 1.00 0.00 C ATOM 410 NZ LYS A 27 9.663 8.160 1.478 1.00 0.00 N ATOM 0 H LYS A 27 7.882 6.135 -3.723 1.00 0.00 H new ATOM 0 HA LYS A 27 6.776 8.663 -3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.508 7.471 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.046 9.085 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.562 8.329 -0.684 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.128 6.894 -1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.282 6.201 0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.304 5.857 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.793 6.627 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.542 8.027 -0.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.449 8.781 1.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.831 8.739 1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.431 7.520 2.264 1.00 0.00 H new ATOM 424 N GLU A 28 9.385 8.600 -5.464 1.00 0.00 N ATOM 425 CA GLU A 28 10.133 9.339 -6.468 1.00 0.00 C ATOM 426 C GLU A 28 9.267 9.593 -7.703 1.00 0.00 C ATOM 427 O GLU A 28 9.323 10.686 -8.266 1.00 0.00 O ATOM 428 CB GLU A 28 11.426 8.581 -6.821 1.00 0.00 C ATOM 429 CG GLU A 28 12.426 8.637 -5.650 1.00 0.00 C ATOM 430 CD GLU A 28 13.701 7.803 -5.839 1.00 0.00 C ATOM 431 OE1 GLU A 28 14.063 7.453 -6.992 1.00 0.00 O ATOM 432 OE2 GLU A 28 14.358 7.544 -4.799 1.00 0.00 O ATOM 0 H GLU A 28 9.766 7.672 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 28 10.414 10.312 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.192 7.543 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.877 9.017 -7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.712 9.676 -5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.921 8.299 -4.745 1.00 0.00 H new ATOM 439 N LYS A 29 8.442 8.632 -8.131 1.00 0.00 N ATOM 440 CA LYS A 29 7.575 8.795 -9.298 1.00 0.00 C ATOM 441 C LYS A 29 6.384 9.697 -8.984 1.00 0.00 C ATOM 442 O LYS A 29 6.005 10.530 -9.804 1.00 0.00 O ATOM 443 CB LYS A 29 7.149 7.408 -9.795 1.00 0.00 C ATOM 444 CG LYS A 29 6.582 7.456 -11.216 1.00 0.00 C ATOM 445 CD LYS A 29 6.509 6.044 -11.826 1.00 0.00 C ATOM 446 CE LYS A 29 6.872 6.106 -13.315 1.00 0.00 C ATOM 447 NZ LYS A 29 7.675 4.948 -13.747 1.00 0.00 N ATOM 0 H LYS A 29 8.358 7.722 -7.678 1.00 0.00 H new ATOM 0 HA LYS A 29 8.122 9.295 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.006 6.735 -9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.400 6.996 -9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.587 7.902 -11.200 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.207 8.094 -11.840 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.192 5.375 -11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.506 5.635 -11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.958 6.152 -13.907 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.427 7.023 -13.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.895 5.036 -14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.560 4.917 -13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.137 4.073 -13.584 1.00 0.00 H new ATOM 461 N LEU A 30 5.818 9.600 -7.780 1.00 0.00 N ATOM 462 CA LEU A 30 4.792 10.525 -7.311 1.00 0.00 C ATOM 463 C LEU A 30 5.367 11.936 -7.310 1.00 0.00 C ATOM 464 O LEU A 30 4.692 12.859 -7.753 1.00 0.00 O ATOM 465 CB LEU A 30 4.291 10.149 -5.906 1.00 0.00 C ATOM 466 CG LEU A 30 3.427 8.874 -5.872 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.315 8.372 -4.435 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.008 9.111 -6.373 1.00 0.00 C ATOM 0 H LEU A 30 6.060 8.876 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 30 3.936 10.471 -7.983 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.150 10.012 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.712 10.980 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 30 3.917 8.151 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.704 7.470 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.309 8.147 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.852 9.141 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.445 8.179 -6.327 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.522 9.860 -5.748 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.040 9.464 -7.404 1.00 0.00 H new ATOM 480 N ALA A 31 6.597 12.127 -6.820 1.00 0.00 N ATOM 481 CA ALA A 31 7.284 13.413 -6.872 1.00 0.00 C ATOM 482 C ALA A 31 7.474 13.883 -8.315 1.00 0.00 C ATOM 483 O ALA A 31 7.139 15.024 -8.627 1.00 0.00 O ATOM 484 CB ALA A 31 8.617 13.333 -6.122 1.00 0.00 C ATOM 0 H ALA A 31 7.142 11.388 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 31 6.662 14.157 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.119 14.299 -6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.433 13.069 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.249 12.573 -6.582 1.00 0.00 H new ATOM 490 N LYS A 32 7.953 13.000 -9.197 1.00 0.00 N ATOM 491 CA LYS A 32 8.146 13.260 -10.622 1.00 0.00 C ATOM 492 C LYS A 32 6.868 13.797 -11.272 1.00 0.00 C ATOM 493 O LYS A 32 6.949 14.695 -12.107 1.00 0.00 O ATOM 494 CB LYS A 32 8.609 11.959 -11.304 1.00 0.00 C ATOM 495 CG LYS A 32 9.184 12.190 -12.702 1.00 0.00 C ATOM 496 CD LYS A 32 9.257 10.901 -13.528 1.00 0.00 C ATOM 497 CE LYS A 32 10.578 10.147 -13.353 1.00 0.00 C ATOM 498 NZ LYS A 32 10.562 8.876 -14.105 1.00 0.00 N ATOM 0 H LYS A 32 8.225 12.055 -8.927 1.00 0.00 H new ATOM 0 HA LYS A 32 8.909 14.029 -10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.363 11.478 -10.682 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.766 11.271 -11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.569 12.920 -13.228 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.182 12.618 -12.614 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.432 10.247 -13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.122 11.144 -14.582 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.405 10.768 -13.698 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.750 9.947 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.468 8.382 -13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.786 8.277 -13.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.421 9.073 -15.116 1.00 0.00 H new ATOM 512 N ASN A 33 5.706 13.248 -10.905 1.00 0.00 N ATOM 513 CA ASN A 33 4.421 13.626 -11.494 1.00 0.00 C ATOM 514 C ASN A 33 3.780 14.812 -10.763 1.00 0.00 C ATOM 515 O ASN A 33 2.951 15.500 -11.354 1.00 0.00 O ATOM 516 CB ASN A 33 3.447 12.433 -11.498 1.00 0.00 C ATOM 517 CG ASN A 33 3.899 11.252 -12.358 1.00 0.00 C ATOM 518 OD1 ASN A 33 4.924 11.296 -13.045 1.00 0.00 O ATOM 519 ND2 ASN A 33 3.162 10.156 -12.320 1.00 0.00 N ATOM 0 H ASN A 33 5.632 12.526 -10.188 1.00 0.00 H new ATOM 0 HA ASN A 33 4.623 13.930 -12.521 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.309 12.089 -10.473 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.475 12.774 -11.853 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.438 9.337 -12.861 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.317 10.129 -11.749 1.00 0.00 H new ATOM 526 N GLY A 34 4.148 15.078 -9.505 1.00 0.00 N ATOM 527 CA GLY A 34 3.626 16.185 -8.703 1.00 0.00 C ATOM 528 C GLY A 34 2.529 15.768 -7.716 1.00 0.00 C ATOM 529 O GLY A 34 1.740 16.608 -7.282 1.00 0.00 O ATOM 0 H GLY A 34 4.835 14.513 -9.005 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.447 16.639 -8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.230 16.950 -9.370 1.00 0.00 H new ATOM 533 N ILE A 35 2.412 14.479 -7.384 1.00 0.00 N ATOM 534 CA ILE A 35 1.303 13.948 -6.596 1.00 0.00 C ATOM 535 C ILE A 35 1.614 14.076 -5.103 1.00 0.00 C ATOM 536 O ILE A 35 2.715 13.747 -4.638 1.00 0.00 O ATOM 537 CB ILE A 35 0.966 12.508 -7.026 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.449 12.551 -8.482 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.104 11.870 -6.106 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.477 11.194 -9.168 1.00 0.00 C ATOM 0 H ILE A 35 3.092 13.771 -7.659 1.00 0.00 H new ATOM 0 HA ILE A 35 0.405 14.537 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 35 1.864 11.895 -6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.572 12.932 -8.487 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.054 13.253 -9.055 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.314 10.855 -6.442 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.266 11.844 -5.081 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.018 12.462 -6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.102 11.293 -10.186 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.501 10.820 -9.193 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.151 10.494 -8.616 1.00 0.00 H new ATOM 552 N CYS A 36 0.603 14.530 -4.362 1.00 0.00 N ATOM 553 CA CYS A 36 0.534 14.622 -2.912 1.00 0.00 C ATOM 554 C CYS A 36 0.472 13.203 -2.334 1.00 0.00 C ATOM 555 O CYS A 36 -0.514 12.491 -2.546 1.00 0.00 O ATOM 556 CB CYS A 36 -0.732 15.406 -2.527 1.00 0.00 C ATOM 557 SG CYS A 36 -1.013 16.829 -3.622 1.00 0.00 S ATOM 0 H CYS A 36 -0.254 14.868 -4.799 1.00 0.00 H new ATOM 0 HA CYS A 36 1.410 15.136 -2.515 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.595 14.742 -2.567 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.644 15.753 -1.497 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.093 17.453 -3.255 1.00 0.00 H new ATOM 563 N GLN A 37 1.509 12.773 -1.619 1.00 0.00 N ATOM 564 CA GLN A 37 1.634 11.395 -1.154 1.00 0.00 C ATOM 565 C GLN A 37 0.510 10.996 -0.183 1.00 0.00 C ATOM 566 O GLN A 37 0.075 9.843 -0.220 1.00 0.00 O ATOM 567 CB GLN A 37 3.029 11.183 -0.534 1.00 0.00 C ATOM 568 CG GLN A 37 4.105 10.969 -1.617 1.00 0.00 C ATOM 569 CD GLN A 37 5.536 11.122 -1.097 1.00 0.00 C ATOM 570 OE1 GLN A 37 5.802 11.042 0.100 1.00 0.00 O ATOM 571 NE2 GLN A 37 6.499 11.382 -1.960 1.00 0.00 N ATOM 0 H GLN A 37 2.288 13.372 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 37 1.527 10.736 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.292 12.048 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.005 10.320 0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.987 9.973 -2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.943 11.683 -2.425 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.287 11.450 -2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.456 11.515 -1.632 1.00 0.00 H new ATOM 580 N ARG A 38 -0.010 11.925 0.628 1.00 0.00 N ATOM 581 CA ARG A 38 -1.187 11.688 1.470 1.00 0.00 C ATOM 582 C ARG A 38 -2.395 11.222 0.655 1.00 0.00 C ATOM 583 O ARG A 38 -3.033 10.229 0.996 1.00 0.00 O ATOM 584 CB ARG A 38 -1.531 12.948 2.285 1.00 0.00 C ATOM 585 CG ARG A 38 -1.881 14.174 1.441 1.00 0.00 C ATOM 586 CD ARG A 38 -1.949 15.492 2.194 1.00 0.00 C ATOM 587 NE ARG A 38 -2.642 16.459 1.333 1.00 0.00 N ATOM 588 CZ ARG A 38 -2.387 17.766 1.218 1.00 0.00 C ATOM 589 NH1 ARG A 38 -1.345 18.327 1.825 1.00 0.00 N ATOM 590 NH2 ARG A 38 -3.187 18.508 0.462 1.00 0.00 N ATOM 0 H ARG A 38 0.375 12.865 0.718 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.936 10.882 2.159 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.372 12.722 2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.684 13.193 2.925 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.142 14.268 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.844 14.000 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.482 15.368 3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.947 15.846 2.438 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.402 16.093 0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.719 17.757 2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.172 19.327 1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.978 18.079 -0.017 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.010 19.507 0.361 1.00 0.00 H new ATOM 604 N ILE A 39 -2.710 11.940 -0.421 1.00 0.00 N ATOM 605 CA ILE A 39 -3.927 11.743 -1.194 1.00 0.00 C ATOM 606 C ILE A 39 -3.818 10.386 -1.879 1.00 0.00 C ATOM 607 O ILE A 39 -4.764 9.602 -1.852 1.00 0.00 O ATOM 608 CB ILE A 39 -4.107 12.910 -2.191 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.196 14.258 -1.446 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.298 12.623 -3.127 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.516 15.443 -2.358 1.00 0.00 C ATOM 0 H ILE A 39 -2.116 12.686 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.815 11.743 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.229 12.993 -2.832 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.963 14.187 -0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.250 14.446 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.418 13.450 -3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.112 11.703 -3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.207 12.513 -2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.563 16.356 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.737 15.541 -3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.477 15.278 -2.846 1.00 0.00 H new ATOM 623 N PHE A 40 -2.638 10.085 -2.428 1.00 0.00 N ATOM 624 CA PHE A 40 -2.338 8.765 -2.962 1.00 0.00 C ATOM 625 C PHE A 40 -2.679 7.665 -1.942 1.00 0.00 C ATOM 626 O PHE A 40 -3.298 6.667 -2.299 1.00 0.00 O ATOM 627 CB PHE A 40 -0.860 8.699 -3.380 1.00 0.00 C ATOM 628 CG PHE A 40 -0.357 7.291 -3.662 1.00 0.00 C ATOM 629 CD1 PHE A 40 0.123 6.441 -2.636 1.00 0.00 C ATOM 630 CD2 PHE A 40 -0.407 6.804 -4.977 1.00 0.00 C ATOM 631 CE1 PHE A 40 0.568 5.149 -2.944 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.037 5.506 -5.267 1.00 0.00 C ATOM 633 CZ PHE A 40 0.540 4.676 -4.257 1.00 0.00 C ATOM 0 H PHE A 40 -1.870 10.751 -2.512 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.957 8.592 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.718 9.309 -4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.250 9.140 -2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.146 6.790 -1.614 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.789 7.431 -5.769 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.938 4.510 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.009 5.141 -6.283 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.901 3.685 -4.491 1.00 0.00 H new ATOM 643 N GLY A 41 -2.292 7.833 -0.673 1.00 0.00 N ATOM 644 CA GLY A 41 -2.646 6.886 0.375 1.00 0.00 C ATOM 645 C GLY A 41 -4.157 6.754 0.510 1.00 0.00 C ATOM 646 O GLY A 41 -4.694 5.650 0.459 1.00 0.00 O ATOM 0 H GLY A 41 -1.731 8.622 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.212 5.912 0.150 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.221 7.213 1.324 1.00 0.00 H new ATOM 650 N GLU A 42 -4.833 7.886 0.659 1.00 0.00 N ATOM 651 CA GLU A 42 -6.256 7.974 0.944 1.00 0.00 C ATOM 652 C GLU A 42 -7.140 7.511 -0.226 1.00 0.00 C ATOM 653 O GLU A 42 -8.302 7.173 0.016 1.00 0.00 O ATOM 654 CB GLU A 42 -6.556 9.425 1.359 1.00 0.00 C ATOM 655 CG GLU A 42 -6.353 9.637 2.869 1.00 0.00 C ATOM 656 CD GLU A 42 -7.655 9.456 3.656 1.00 0.00 C ATOM 657 OE1 GLU A 42 -8.431 10.442 3.712 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.910 8.379 4.245 1.00 0.00 O ATOM 0 H GLU A 42 -4.387 8.800 0.582 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.502 7.288 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.907 10.104 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.582 9.676 1.091 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.607 8.933 3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.960 10.638 3.045 1.00 0.00 H new ATOM 665 N LYS A 43 -6.651 7.466 -1.474 1.00 0.00 N ATOM 666 CA LYS A 43 -7.451 7.069 -2.633 1.00 0.00 C ATOM 667 C LYS A 43 -6.929 5.832 -3.363 1.00 0.00 C ATOM 668 O LYS A 43 -7.757 5.028 -3.792 1.00 0.00 O ATOM 669 CB LYS A 43 -7.618 8.268 -3.568 1.00 0.00 C ATOM 670 CG LYS A 43 -8.560 9.311 -2.936 1.00 0.00 C ATOM 671 CD LYS A 43 -9.197 10.151 -4.038 1.00 0.00 C ATOM 672 CE LYS A 43 -10.101 11.317 -3.592 1.00 0.00 C ATOM 673 NZ LYS A 43 -11.133 10.933 -2.602 1.00 0.00 N ATOM 0 H LYS A 43 -5.687 7.705 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.428 6.761 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.646 8.720 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.020 7.938 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.333 8.812 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.004 9.951 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.399 10.559 -4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.786 9.488 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.478 12.104 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.592 11.739 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.701 11.767 -2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.752 10.204 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.673 10.558 -1.748 1.00 0.00 H new ATOM 687 N VAL A 44 -5.617 5.627 -3.494 1.00 0.00 N ATOM 688 CA VAL A 44 -5.098 4.377 -4.050 1.00 0.00 C ATOM 689 C VAL A 44 -5.111 3.321 -2.949 1.00 0.00 C ATOM 690 O VAL A 44 -5.698 2.254 -3.137 1.00 0.00 O ATOM 691 CB VAL A 44 -3.684 4.526 -4.662 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.305 3.280 -5.474 1.00 0.00 C ATOM 693 CG2 VAL A 44 -3.586 5.723 -5.609 1.00 0.00 C ATOM 0 H VAL A 44 -4.902 6.303 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.742 4.075 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.009 4.667 -3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.307 3.409 -5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.315 2.405 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.023 3.140 -6.282 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.576 5.786 -6.013 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.296 5.599 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.816 6.638 -5.064 1.00 0.00 H new ATOM 703 N LEU A 45 -4.413 3.570 -1.832 1.00 0.00 N ATOM 704 CA LEU A 45 -4.067 2.491 -0.908 1.00 0.00 C ATOM 705 C LEU A 45 -5.198 2.169 0.061 1.00 0.00 C ATOM 706 O LEU A 45 -5.282 1.020 0.486 1.00 0.00 O ATOM 707 CB LEU A 45 -2.796 2.779 -0.092 1.00 0.00 C ATOM 708 CG LEU A 45 -1.518 3.124 -0.877 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.296 2.832 -0.007 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.314 2.320 -2.150 1.00 0.00 C ATOM 0 H LEU A 45 -4.083 4.494 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.884 1.631 -1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.010 3.606 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.587 1.906 0.527 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.633 4.174 -1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.611 3.075 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.342 3.436 0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.285 1.776 0.262 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.389 2.633 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.255 1.260 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.152 2.490 -2.826 1.00 0.00 H new ATOM 722 N GLY A 46 -6.034 3.144 0.424 1.00 0.00 N ATOM 723 CA GLY A 46 -6.957 3.023 1.548 1.00 0.00 C ATOM 724 C GLY A 46 -6.282 3.336 2.884 1.00 0.00 C ATOM 725 O GLY A 46 -6.759 2.895 3.930 1.00 0.00 O ATOM 0 H GLY A 46 -6.088 4.042 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.798 3.700 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.363 2.012 1.576 1.00 0.00 H new ATOM 729 N LEU A 47 -5.157 4.062 2.882 1.00 0.00 N ATOM 730 CA LEU A 47 -4.395 4.369 4.083 1.00 0.00 C ATOM 731 C LEU A 47 -4.493 5.851 4.414 1.00 0.00 C ATOM 732 O LEU A 47 -4.104 6.698 3.607 1.00 0.00 O ATOM 733 CB LEU A 47 -2.932 3.945 3.912 1.00 0.00 C ATOM 734 CG LEU A 47 -2.704 2.422 3.870 1.00 0.00 C ATOM 735 CD1 LEU A 47 -1.195 2.176 3.853 1.00 0.00 C ATOM 736 CD2 LEU A 47 -3.308 1.667 5.061 1.00 0.00 C ATOM 0 H LEU A 47 -4.752 4.454 2.032 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.819 3.807 4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.547 4.382 2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.348 4.364 4.732 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.205 2.045 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.001 1.104 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.759 2.648 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.747 2.601 4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.104 0.601 4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.864 2.033 5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.385 1.830 5.086 1.00 0.00 H new ATOM 748 N SER A 48 -4.936 6.127 5.641 1.00 0.00 N ATOM 749 CA SER A 48 -4.946 7.417 6.307 1.00 0.00 C ATOM 750 C SER A 48 -3.583 8.099 6.255 1.00 0.00 C ATOM 751 O SER A 48 -2.557 7.444 6.058 1.00 0.00 O ATOM 752 CB SER A 48 -5.289 7.174 7.780 1.00 0.00 C ATOM 753 OG SER A 48 -6.306 6.203 7.943 1.00 0.00 O ATOM 0 H SER A 48 -5.325 5.395 6.235 1.00 0.00 H new ATOM 0 HA SER A 48 -5.670 8.059 5.805 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.393 6.851 8.311 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.609 8.111 8.235 1.00 0.00 H new ATOM 0 HG SER A 48 -6.490 6.080 8.898 1.00 0.00 H new ATOM 759 N GLN A 49 -3.572 9.394 6.556 1.00 0.00 N ATOM 760 CA GLN A 49 -2.373 10.220 6.516 1.00 0.00 C ATOM 761 C GLN A 49 -1.284 9.687 7.438 1.00 0.00 C ATOM 762 O GLN A 49 -0.144 9.525 6.995 1.00 0.00 O ATOM 763 CB GLN A 49 -2.738 11.682 6.819 1.00 0.00 C ATOM 764 CG GLN A 49 -2.858 12.417 5.485 1.00 0.00 C ATOM 765 CD GLN A 49 -3.348 13.853 5.588 1.00 0.00 C ATOM 766 OE1 GLN A 49 -4.112 14.290 4.730 1.00 0.00 O ATOM 767 NE2 GLN A 49 -2.895 14.628 6.563 1.00 0.00 N ATOM 0 H GLN A 49 -4.408 9.905 6.838 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.954 10.179 5.511 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.676 11.735 7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.974 12.145 7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.884 12.415 4.997 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.539 11.861 4.840 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.262 14.246 7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.180 15.606 6.611 1.00 0.00 H new ATOM 776 N GLY A 50 -1.631 9.376 8.689 1.00 0.00 N ATOM 777 CA GLY A 50 -0.685 8.813 9.637 1.00 0.00 C ATOM 778 C GLY A 50 -0.274 7.393 9.264 1.00 0.00 C ATOM 779 O GLY A 50 0.808 6.962 9.655 1.00 0.00 O ATOM 0 H GLY A 50 -2.570 9.508 9.065 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.201 9.446 9.683 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.128 8.812 10.633 1.00 0.00 H new ATOM 783 N SER A 51 -1.099 6.662 8.511 1.00 0.00 N ATOM 784 CA SER A 51 -0.744 5.353 7.996 1.00 0.00 C ATOM 785 C SER A 51 0.295 5.521 6.891 1.00 0.00 C ATOM 786 O SER A 51 1.442 5.135 7.103 1.00 0.00 O ATOM 787 CB SER A 51 -1.995 4.589 7.560 1.00 0.00 C ATOM 788 OG SER A 51 -2.833 4.364 8.680 1.00 0.00 O ATOM 0 H SER A 51 -2.034 6.970 8.245 1.00 0.00 H new ATOM 0 HA SER A 51 -0.289 4.742 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.532 5.156 6.800 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.713 3.638 7.108 1.00 0.00 H new ATOM 0 HG SER A 51 -3.634 3.876 8.396 1.00 0.00 H new ATOM 794 N VAL A 52 -0.067 6.096 5.738 1.00 0.00 N ATOM 795 CA VAL A 52 0.798 6.119 4.570 1.00 0.00 C ATOM 796 C VAL A 52 2.123 6.830 4.858 1.00 0.00 C ATOM 797 O VAL A 52 3.162 6.354 4.408 1.00 0.00 O ATOM 798 CB VAL A 52 0.022 6.648 3.337 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.374 8.069 2.876 1.00 0.00 C ATOM 800 CG2 VAL A 52 0.215 5.639 2.202 1.00 0.00 C ATOM 0 H VAL A 52 -0.967 6.555 5.596 1.00 0.00 H new ATOM 0 HA VAL A 52 1.095 5.101 4.317 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.022 6.739 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.231 8.330 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.173 8.774 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.430 8.114 2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.320 5.981 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.277 5.548 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.174 4.668 2.508 1.00 0.00 H new ATOM 810 N SER A 53 2.115 7.914 5.638 1.00 0.00 N ATOM 811 CA SER A 53 3.324 8.664 5.936 1.00 0.00 C ATOM 812 C SER A 53 4.317 7.804 6.718 1.00 0.00 C ATOM 813 O SER A 53 5.505 7.790 6.391 1.00 0.00 O ATOM 814 CB SER A 53 2.935 9.899 6.738 1.00 0.00 C ATOM 815 OG SER A 53 4.003 10.820 6.842 1.00 0.00 O ATOM 0 H SER A 53 1.273 8.289 6.075 1.00 0.00 H new ATOM 0 HA SER A 53 3.812 8.962 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.082 10.385 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.617 9.598 7.736 1.00 0.00 H new ATOM 0 HG SER A 53 3.714 11.599 7.362 1.00 0.00 H new ATOM 821 N ASP A 54 3.844 7.102 7.752 1.00 0.00 N ATOM 822 CA ASP A 54 4.690 6.256 8.586 1.00 0.00 C ATOM 823 C ASP A 54 5.221 5.094 7.753 1.00 0.00 C ATOM 824 O ASP A 54 6.390 4.733 7.883 1.00 0.00 O ATOM 825 CB ASP A 54 3.897 5.740 9.796 1.00 0.00 C ATOM 826 CG ASP A 54 4.774 5.463 11.009 1.00 0.00 C ATOM 827 OD1 ASP A 54 5.133 6.440 11.705 1.00 0.00 O ATOM 828 OD2 ASP A 54 4.973 4.291 11.409 1.00 0.00 O ATOM 0 H ASP A 54 2.863 7.107 8.031 1.00 0.00 H new ATOM 0 HA ASP A 54 5.533 6.839 8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.137 6.473 10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.373 4.826 9.517 1.00 0.00 H new ATOM 833 N MET A 55 4.385 4.575 6.845 1.00 0.00 N ATOM 834 CA MET A 55 4.708 3.539 5.883 1.00 0.00 C ATOM 835 C MET A 55 5.868 3.964 4.989 1.00 0.00 C ATOM 836 O MET A 55 6.891 3.286 4.943 1.00 0.00 O ATOM 837 CB MET A 55 3.447 3.249 5.054 1.00 0.00 C ATOM 838 CG MET A 55 3.006 1.804 5.147 1.00 0.00 C ATOM 839 SD MET A 55 2.615 1.174 6.799 1.00 0.00 S ATOM 840 CE MET A 55 0.830 1.476 6.781 1.00 0.00 C ATOM 0 H MET A 55 3.418 4.889 6.766 1.00 0.00 H new ATOM 0 HA MET A 55 5.026 2.635 6.403 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.637 3.894 5.394 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.638 3.500 4.011 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.125 1.677 4.518 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.793 1.181 4.723 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.396 1.150 7.726 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.643 2.541 6.644 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.375 0.919 5.962 1.00 0.00 H new ATOM 850 N LEU A 56 5.706 5.042 4.222 1.00 0.00 N ATOM 851 CA LEU A 56 6.741 5.560 3.335 1.00 0.00 C ATOM 852 C LEU A 56 7.982 6.054 4.075 1.00 0.00 C ATOM 853 O LEU A 56 9.047 6.116 3.447 1.00 0.00 O ATOM 854 CB LEU A 56 6.177 6.707 2.488 1.00 0.00 C ATOM 855 CG LEU A 56 5.006 6.326 1.569 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.698 7.499 0.643 1.00 0.00 C ATOM 857 CD2 LEU A 56 5.261 5.064 0.740 1.00 0.00 C ATOM 0 H LEU A 56 4.842 5.584 4.201 1.00 0.00 H new ATOM 0 HA LEU A 56 7.050 4.726 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.850 7.504 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.981 7.115 1.875 1.00 0.00 H new ATOM 0 HG LEU A 56 4.156 6.101 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.868 7.237 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.429 8.371 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.577 7.728 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.392 4.857 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.135 5.215 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.438 4.220 1.407 1.00 0.00 H new ATOM 869 N SER A 57 7.883 6.426 5.351 1.00 0.00 N ATOM 870 CA SER A 57 9.043 6.824 6.138 1.00 0.00 C ATOM 871 C SER A 57 9.828 5.574 6.551 1.00 0.00 C ATOM 872 O SER A 57 11.014 5.465 6.238 1.00 0.00 O ATOM 873 CB SER A 57 8.593 7.671 7.341 1.00 0.00 C ATOM 874 OG SER A 57 9.670 8.387 7.927 1.00 0.00 O ATOM 0 H SER A 57 7.001 6.459 5.863 1.00 0.00 H new ATOM 0 HA SER A 57 9.712 7.448 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.824 8.374 7.021 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.140 7.022 8.091 1.00 0.00 H new ATOM 0 HG SER A 57 9.339 8.912 8.685 1.00 0.00 H new ATOM 880 N ARG A 58 9.167 4.597 7.189 1.00 0.00 N ATOM 881 CA ARG A 58 9.791 3.411 7.770 1.00 0.00 C ATOM 882 C ARG A 58 8.987 2.158 7.385 1.00 0.00 C ATOM 883 O ARG A 58 8.288 1.593 8.236 1.00 0.00 O ATOM 884 CB ARG A 58 9.989 3.600 9.294 1.00 0.00 C ATOM 885 CG ARG A 58 8.743 4.052 10.078 1.00 0.00 C ATOM 886 CD ARG A 58 8.987 4.051 11.591 1.00 0.00 C ATOM 887 NE ARG A 58 7.736 4.354 12.296 1.00 0.00 N ATOM 888 CZ ARG A 58 7.499 4.299 13.608 1.00 0.00 C ATOM 889 NH1 ARG A 58 8.455 4.036 14.495 1.00 0.00 N ATOM 890 NH2 ARG A 58 6.261 4.510 14.021 1.00 0.00 N ATOM 0 H ARG A 58 8.155 4.616 7.316 1.00 0.00 H new ATOM 0 HA ARG A 58 10.791 3.266 7.361 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.339 2.658 9.716 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.780 4.333 9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.456 5.054 9.757 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.908 3.391 9.845 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.367 3.079 11.907 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.747 4.789 11.847 1.00 0.00 H new ATOM 0 HE ARG A 58 6.951 4.642 11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.410 3.867 14.180 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.233 4.003 15.490 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.524 4.707 13.344 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.043 4.476 15.017 1.00 0.00 H new ATOM 904 N PRO A 59 9.070 1.694 6.127 1.00 0.00 N ATOM 905 CA PRO A 59 8.378 0.480 5.721 1.00 0.00 C ATOM 906 C PRO A 59 8.982 -0.724 6.441 1.00 0.00 C ATOM 907 O PRO A 59 10.099 -0.663 6.967 1.00 0.00 O ATOM 908 CB PRO A 59 8.507 0.385 4.200 1.00 0.00 C ATOM 909 CG PRO A 59 9.658 1.318 3.835 1.00 0.00 C ATOM 910 CD PRO A 59 9.849 2.251 5.030 1.00 0.00 C ATOM 0 HA PRO A 59 7.322 0.498 5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.715 -0.638 3.886 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.583 0.688 3.707 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.568 0.753 3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.428 1.884 2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.902 2.322 5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.513 3.260 4.790 1.00 0.00 H new ATOM 918 N LYS A 60 8.237 -1.827 6.468 1.00 0.00 N ATOM 919 CA LYS A 60 8.658 -3.100 7.044 1.00 0.00 C ATOM 920 C LYS A 60 8.815 -4.131 5.927 1.00 0.00 C ATOM 921 O LYS A 60 8.234 -3.931 4.853 1.00 0.00 O ATOM 922 CB LYS A 60 7.669 -3.482 8.162 1.00 0.00 C ATOM 923 CG LYS A 60 7.955 -2.612 9.405 1.00 0.00 C ATOM 924 CD LYS A 60 8.207 -3.417 10.683 1.00 0.00 C ATOM 925 CE LYS A 60 6.963 -4.074 11.296 1.00 0.00 C ATOM 926 NZ LYS A 60 5.976 -3.078 11.753 1.00 0.00 N ATOM 0 H LYS A 60 7.295 -1.859 6.077 1.00 0.00 H new ATOM 0 HA LYS A 60 9.638 -3.041 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.643 -3.331 7.825 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.771 -4.538 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.824 -1.985 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.111 -1.943 9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.939 -4.195 10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.654 -2.757 11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.500 -4.730 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.262 -4.700 12.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.227 -3.555 12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.447 -2.375 12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.558 -2.601 10.929 1.00 0.00 H new ATOM 940 N PRO A 61 9.588 -5.208 6.139 1.00 0.00 N ATOM 941 CA PRO A 61 9.826 -6.200 5.102 1.00 0.00 C ATOM 942 C PRO A 61 8.526 -6.959 4.839 1.00 0.00 C ATOM 943 O PRO A 61 7.745 -7.196 5.764 1.00 0.00 O ATOM 944 CB PRO A 61 10.940 -7.102 5.642 1.00 0.00 C ATOM 945 CG PRO A 61 10.724 -7.025 7.146 1.00 0.00 C ATOM 946 CD PRO A 61 10.279 -5.581 7.365 1.00 0.00 C ATOM 0 HA PRO A 61 10.132 -5.769 4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.852 -8.123 5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.928 -6.743 5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.967 -7.734 7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.638 -7.252 7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.621 -5.498 8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.133 -4.929 7.551 1.00 0.00 H new ATOM 954 N TRP A 62 8.321 -7.393 3.598 1.00 0.00 N ATOM 955 CA TRP A 62 7.181 -8.184 3.155 1.00 0.00 C ATOM 956 C TRP A 62 6.990 -9.413 4.045 1.00 0.00 C ATOM 957 O TRP A 62 5.858 -9.765 4.386 1.00 0.00 O ATOM 958 CB TRP A 62 7.425 -8.597 1.702 1.00 0.00 C ATOM 959 CG TRP A 62 6.326 -9.370 1.052 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.280 -10.716 0.962 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.172 -8.876 0.309 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.223 -11.085 0.161 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.538 -9.989 -0.315 1.00 0.00 C ATOM 964 CE3 TRP A 62 4.629 -7.598 0.052 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.467 -9.838 -1.206 1.00 0.00 C ATOM 966 CZ3 TRP A 62 3.533 -7.436 -0.817 1.00 0.00 C ATOM 967 CH2 TRP A 62 2.967 -8.553 -1.461 1.00 0.00 C ATOM 0 H TRP A 62 8.975 -7.193 2.842 1.00 0.00 H new ATOM 0 HA TRP A 62 6.269 -7.592 3.226 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.607 -7.697 1.114 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.336 -9.194 1.662 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.966 -11.397 1.443 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.977 -12.051 -0.054 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.061 -6.731 0.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.032 -10.700 -1.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.125 -6.451 -0.990 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.147 -8.420 -2.152 1.00 0.00 H new ATOM 978 N SER A 63 8.087 -10.033 4.476 1.00 0.00 N ATOM 979 CA SER A 63 8.110 -11.190 5.355 1.00 0.00 C ATOM 980 C SER A 63 7.418 -10.913 6.698 1.00 0.00 C ATOM 981 O SER A 63 6.694 -11.767 7.207 1.00 0.00 O ATOM 982 CB SER A 63 9.574 -11.600 5.557 1.00 0.00 C ATOM 983 OG SER A 63 10.287 -11.481 4.335 1.00 0.00 O ATOM 0 H SER A 63 9.022 -9.726 4.208 1.00 0.00 H new ATOM 0 HA SER A 63 7.550 -12.004 4.895 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.034 -10.970 6.318 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.626 -12.627 5.919 1.00 0.00 H new ATOM 0 HG SER A 63 11.221 -11.743 4.474 1.00 0.00 H new ATOM 989 N LYS A 64 7.587 -9.713 7.267 1.00 0.00 N ATOM 990 CA LYS A 64 6.929 -9.285 8.510 1.00 0.00 C ATOM 991 C LYS A 64 5.456 -8.932 8.302 1.00 0.00 C ATOM 992 O LYS A 64 4.759 -8.718 9.296 1.00 0.00 O ATOM 993 CB LYS A 64 7.645 -8.051 9.086 1.00 0.00 C ATOM 994 CG LYS A 64 8.979 -8.362 9.784 1.00 0.00 C ATOM 995 CD LYS A 64 8.810 -8.801 11.240 1.00 0.00 C ATOM 996 CE LYS A 64 8.822 -10.310 11.451 1.00 0.00 C ATOM 997 NZ LYS A 64 8.437 -10.622 12.838 1.00 0.00 N ATOM 0 H LYS A 64 8.196 -8.998 6.870 1.00 0.00 H new ATOM 0 HA LYS A 64 6.986 -10.127 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.827 -7.342 8.279 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.982 -7.560 9.798 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.496 -9.147 9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.615 -7.477 9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.608 -8.357 11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.870 -8.401 11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.133 -10.789 10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.815 -10.708 11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.447 -11.653 12.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.111 -10.178 13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.481 -10.256 13.024 1.00 0.00 H new ATOM 1011 N LEU A 65 4.975 -8.785 7.067 1.00 0.00 N ATOM 1012 CA LEU A 65 3.587 -8.427 6.792 1.00 0.00 C ATOM 1013 C LEU A 65 2.769 -9.710 6.655 1.00 0.00 C ATOM 1014 O LEU A 65 3.282 -10.720 6.178 1.00 0.00 O ATOM 1015 CB LEU A 65 3.489 -7.613 5.493 1.00 0.00 C ATOM 1016 CG LEU A 65 4.336 -6.332 5.419 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.148 -5.683 4.046 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.981 -5.330 6.520 1.00 0.00 C ATOM 0 H LEU A 65 5.541 -8.912 6.228 1.00 0.00 H new ATOM 0 HA LEU A 65 3.202 -7.819 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.775 -8.259 4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.445 -7.341 5.339 1.00 0.00 H new ATOM 0 HG LEU A 65 5.378 -6.615 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.747 -4.774 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.467 -6.377 3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.096 -5.435 3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.608 -4.444 6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.933 -5.045 6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.149 -5.787 7.495 1.00 0.00 H new ATOM 1030 N THR A 66 1.491 -9.664 7.020 1.00 0.00 N ATOM 1031 CA THR A 66 0.502 -10.687 6.670 1.00 0.00 C ATOM 1032 C THR A 66 -0.105 -10.336 5.304 1.00 0.00 C ATOM 1033 O THR A 66 0.179 -9.256 4.790 1.00 0.00 O ATOM 1034 CB THR A 66 -0.566 -10.754 7.775 1.00 0.00 C ATOM 1035 OG1 THR A 66 -1.210 -9.502 7.967 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.031 -11.194 9.113 1.00 0.00 C ATOM 0 H THR A 66 1.104 -8.903 7.577 1.00 0.00 H new ATOM 0 HA THR A 66 0.964 -11.671 6.595 1.00 0.00 H new ATOM 0 HB THR A 66 -1.296 -11.490 7.438 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.882 -9.585 8.675 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.754 -11.229 9.868 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.475 -12.183 9.005 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.798 -10.483 9.420 1.00 0.00 H new ATOM 1044 N GLN A 67 -0.983 -11.160 4.720 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.733 -10.757 3.523 1.00 0.00 C ATOM 1046 C GLN A 67 -2.487 -9.441 3.784 1.00 0.00 C ATOM 1047 O GLN A 67 -2.422 -8.524 2.963 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.694 -11.866 3.076 1.00 0.00 C ATOM 1049 CG GLN A 67 -1.997 -13.103 2.494 1.00 0.00 C ATOM 1050 CD GLN A 67 -2.915 -14.315 2.600 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -3.022 -14.891 3.679 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -3.591 -14.707 1.536 1.00 0.00 N ATOM 0 H GLN A 67 -1.191 -12.102 5.052 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.024 -10.591 2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.301 -12.172 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.376 -11.461 2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.734 -12.926 1.451 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.067 -13.293 3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.483 -14.210 0.652 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.221 -15.507 1.598 1.00 0.00 H new ATOM 1061 N LYS A 68 -3.114 -9.298 4.959 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.781 -8.069 5.404 1.00 0.00 C ATOM 1063 C LYS A 68 -2.817 -6.881 5.416 1.00 0.00 C ATOM 1064 O LYS A 68 -3.227 -5.767 5.098 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.385 -8.288 6.811 1.00 0.00 C ATOM 1066 CG LYS A 68 -5.914 -8.223 6.938 1.00 0.00 C ATOM 1067 CD LYS A 68 -6.598 -6.912 6.525 1.00 0.00 C ATOM 1068 CE LYS A 68 -6.358 -5.710 7.450 1.00 0.00 C ATOM 1069 NZ LYS A 68 -5.070 -5.030 7.207 1.00 0.00 N ATOM 0 H LYS A 68 -3.172 -10.053 5.643 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.578 -7.836 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.058 -9.263 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.959 -7.542 7.481 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.337 -9.028 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.176 -8.428 7.976 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.259 -6.648 5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.672 -7.089 6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.169 -4.993 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.393 -6.046 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.231 -4.007 7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.429 -5.204 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.642 -5.399 6.334 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.558 -7.096 5.801 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.543 -6.050 5.853 1.00 0.00 C ATOM 1085 C GLY A 69 0.070 -5.752 4.483 1.00 0.00 C ATOM 1086 O GLY A 69 0.546 -4.643 4.254 1.00 0.00 O ATOM 0 H GLY A 69 -1.214 -8.012 6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.987 -5.139 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.247 -6.350 6.542 1.00 0.00 H new ATOM 1090 N ARG A 70 0.088 -6.731 3.572 1.00 0.00 N ATOM 1091 CA ARG A 70 0.622 -6.615 2.212 1.00 0.00 C ATOM 1092 C ARG A 70 -0.352 -5.880 1.304 1.00 0.00 C ATOM 1093 O ARG A 70 0.079 -5.228 0.361 1.00 0.00 O ATOM 1094 CB ARG A 70 0.895 -8.020 1.645 1.00 0.00 C ATOM 1095 CG ARG A 70 2.096 -8.670 2.342 1.00 0.00 C ATOM 1096 CD ARG A 70 2.190 -10.181 2.136 1.00 0.00 C ATOM 1097 NE ARG A 70 3.341 -10.722 2.875 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.559 -12.005 3.175 1.00 0.00 C ATOM 1099 NH1 ARG A 70 2.760 -12.956 2.706 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.581 -12.300 3.965 1.00 0.00 N ATOM 0 H ARG A 70 -0.283 -7.660 3.770 1.00 0.00 H new ATOM 0 HA ARG A 70 1.550 -6.045 2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.012 -8.646 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.084 -7.953 0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.011 -8.206 1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.040 -8.462 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.272 -10.660 2.476 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.292 -10.405 1.074 1.00 0.00 H new ATOM 0 HE ARG A 70 4.042 -10.051 3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.970 -12.710 2.110 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.936 -13.933 2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.177 -11.556 4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.772 -13.271 4.211 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.644 -5.950 1.601 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.750 -5.397 0.837 1.00 0.00 C ATOM 1116 C GLU A 71 -2.505 -3.961 0.309 1.00 0.00 C ATOM 1117 O GLU A 71 -2.659 -3.744 -0.899 1.00 0.00 O ATOM 1118 CB GLU A 71 -3.994 -5.545 1.711 1.00 0.00 C ATOM 1119 CG GLU A 71 -5.240 -5.909 0.915 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.449 -5.581 1.790 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -6.607 -6.233 2.850 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -7.122 -4.556 1.542 1.00 0.00 O ATOM 0 H GLU A 71 -1.966 -6.429 2.442 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.879 -5.950 -0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.813 -6.312 2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.170 -4.611 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.277 -5.348 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.232 -6.966 0.651 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.067 -2.983 1.131 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.753 -1.634 0.651 1.00 0.00 C ATOM 1131 C PRO A 72 -0.457 -1.596 -0.172 1.00 0.00 C ATOM 1132 O PRO A 72 -0.415 -0.941 -1.211 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.682 -0.752 1.903 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.319 -1.736 3.006 1.00 0.00 C ATOM 1135 CD PRO A 72 -1.984 -3.034 2.584 1.00 0.00 C ATOM 0 HA PRO A 72 -2.517 -1.272 -0.037 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.932 0.032 1.801 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.633 -0.258 2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.239 -1.853 3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.684 -1.399 3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.403 -3.896 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.974 -3.129 3.029 1.00 0.00 H new ATOM 1143 N PHE A 73 0.602 -2.304 0.235 1.00 0.00 N ATOM 1144 CA PHE A 73 1.825 -2.446 -0.558 1.00 0.00 C ATOM 1145 C PHE A 73 1.547 -3.030 -1.945 1.00 0.00 C ATOM 1146 O PHE A 73 2.229 -2.675 -2.896 1.00 0.00 O ATOM 1147 CB PHE A 73 2.852 -3.328 0.167 1.00 0.00 C ATOM 1148 CG PHE A 73 3.524 -2.651 1.344 1.00 0.00 C ATOM 1149 CD1 PHE A 73 4.659 -1.848 1.133 1.00 0.00 C ATOM 1150 CD2 PHE A 73 3.023 -2.813 2.647 1.00 0.00 C ATOM 1151 CE1 PHE A 73 5.309 -1.237 2.218 1.00 0.00 C ATOM 1152 CE2 PHE A 73 3.660 -2.184 3.732 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.807 -1.399 3.520 1.00 0.00 C ATOM 0 H PHE A 73 0.634 -2.796 1.128 1.00 0.00 H new ATOM 0 HA PHE A 73 2.232 -1.442 -0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.356 -4.233 0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.616 -3.638 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 73 5.033 -1.700 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.147 -3.422 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.195 -0.642 2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.267 -2.304 4.731 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.300 -0.923 4.355 1.00 0.00 H new ATOM 1163 N ILE A 74 0.578 -3.929 -2.090 1.00 0.00 N ATOM 1164 CA ILE A 74 0.170 -4.481 -3.378 1.00 0.00 C ATOM 1165 C ILE A 74 -0.397 -3.361 -4.251 1.00 0.00 C ATOM 1166 O ILE A 74 -0.004 -3.244 -5.408 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.827 -5.629 -3.120 1.00 0.00 C ATOM 1168 CG1 ILE A 74 -0.097 -6.860 -2.544 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.620 -6.032 -4.365 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -1.031 -7.781 -1.754 1.00 0.00 C ATOM 0 H ILE A 74 0.046 -4.300 -1.303 1.00 0.00 H new ATOM 0 HA ILE A 74 1.014 -4.900 -3.926 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.546 -5.250 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.358 -7.423 -3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.713 -6.527 -1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.303 -6.844 -4.115 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.191 -5.176 -4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.932 -6.363 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.466 -8.631 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.466 -7.230 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.827 -8.139 -2.407 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.285 -2.518 -3.714 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.832 -1.385 -4.440 1.00 0.00 C ATOM 1184 C ARG A 75 -0.712 -0.419 -4.840 1.00 0.00 C ATOM 1185 O ARG A 75 -0.714 0.094 -5.956 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.919 -0.746 -3.566 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.156 -1.646 -3.407 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.120 -1.091 -2.356 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.260 -1.995 -2.134 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.191 -1.856 -1.183 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -7.198 -0.805 -0.371 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -8.128 -2.777 -1.037 1.00 0.00 N ATOM 0 H ARG A 75 -1.640 -2.609 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.295 -1.695 -5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.506 -0.526 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.220 0.205 -4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.670 -1.733 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.843 -2.650 -3.121 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.587 -0.939 -1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.486 -0.115 -2.676 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.348 -2.796 -2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.484 -0.083 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.918 -0.720 0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.141 -3.593 -1.649 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.838 -2.672 -0.312 1.00 0.00 H new ATOM 1206 N MET A 76 0.287 -0.233 -3.971 1.00 0.00 N ATOM 1207 CA MET A 76 1.525 0.466 -4.284 1.00 0.00 C ATOM 1208 C MET A 76 2.248 -0.138 -5.496 1.00 0.00 C ATOM 1209 O MET A 76 2.656 0.617 -6.376 1.00 0.00 O ATOM 1210 CB MET A 76 2.420 0.450 -3.031 1.00 0.00 C ATOM 1211 CG MET A 76 2.882 1.842 -2.641 1.00 0.00 C ATOM 1212 SD MET A 76 4.193 1.867 -1.389 1.00 0.00 S ATOM 1213 CE MET A 76 3.158 1.992 0.085 1.00 0.00 C ATOM 0 H MET A 76 0.251 -0.574 -3.010 1.00 0.00 H new ATOM 0 HA MET A 76 1.290 1.494 -4.562 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.872 0.004 -2.201 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.289 -0.182 -3.215 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.237 2.358 -3.533 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.027 2.405 -2.267 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.738 1.704 0.962 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.812 3.019 0.200 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.299 1.329 -0.016 1.00 0.00 H new ATOM 1223 N GLN A 77 2.429 -1.466 -5.542 1.00 0.00 N ATOM 1224 CA GLN A 77 3.119 -2.137 -6.647 1.00 0.00 C ATOM 1225 C GLN A 77 2.362 -1.917 -7.941 1.00 0.00 C ATOM 1226 O GLN A 77 2.983 -1.599 -8.953 1.00 0.00 O ATOM 1227 CB GLN A 77 3.248 -3.654 -6.442 1.00 0.00 C ATOM 1228 CG GLN A 77 4.187 -4.038 -5.301 1.00 0.00 C ATOM 1229 CD GLN A 77 4.070 -5.506 -4.906 1.00 0.00 C ATOM 1230 OE1 GLN A 77 4.621 -6.395 -5.541 1.00 0.00 O ATOM 1231 NE2 GLN A 77 3.391 -5.795 -3.808 1.00 0.00 N ATOM 0 H GLN A 77 2.101 -2.101 -4.815 1.00 0.00 H new ATOM 0 HA GLN A 77 4.118 -1.704 -6.685 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.260 -4.071 -6.245 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.607 -4.108 -7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.215 -3.827 -5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.970 -3.415 -4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.933 -5.051 -3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.326 -6.761 -3.488 1.00 0.00 H new ATOM 1240 N LEU A 78 1.045 -2.118 -7.911 1.00 0.00 N ATOM 1241 CA LEU A 78 0.227 -2.015 -9.102 1.00 0.00 C ATOM 1242 C LEU A 78 0.321 -0.612 -9.655 1.00 0.00 C ATOM 1243 O LEU A 78 0.692 -0.480 -10.812 1.00 0.00 O ATOM 1244 CB LEU A 78 -1.212 -2.485 -8.835 1.00 0.00 C ATOM 1245 CG LEU A 78 -1.282 -4.018 -9.008 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.422 -4.658 -8.217 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -1.453 -4.384 -10.483 1.00 0.00 C ATOM 0 H LEU A 78 0.526 -2.354 -7.065 1.00 0.00 H new ATOM 0 HA LEU A 78 0.605 -2.689 -9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.518 -2.206 -7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.901 -1.997 -9.524 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.340 -4.406 -8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.418 -5.736 -8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.289 -4.451 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.374 -4.244 -8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.500 -5.468 -10.586 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.375 -3.943 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.606 -4.002 -11.053 1.00 0.00 H new ATOM 1259 N TRP A 79 0.086 0.429 -8.854 1.00 0.00 N ATOM 1260 CA TRP A 79 0.030 1.800 -9.360 1.00 0.00 C ATOM 1261 C TRP A 79 1.244 2.218 -10.192 1.00 0.00 C ATOM 1262 O TRP A 79 1.105 3.037 -11.102 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.144 2.761 -8.182 1.00 0.00 C ATOM 1264 CG TRP A 79 0.030 4.209 -8.532 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -0.927 5.063 -8.956 1.00 0.00 C ATOM 1266 CD2 TRP A 79 1.279 4.964 -8.560 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.351 6.272 -9.298 1.00 0.00 N ATOM 1268 CE2 TRP A 79 1.005 6.272 -9.056 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.618 4.658 -8.236 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 2.009 7.233 -9.227 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.635 5.613 -8.420 1.00 0.00 C ATOM 1272 CH2 TRP A 79 3.332 6.899 -8.900 1.00 0.00 C ATOM 0 H TRP A 79 -0.069 0.347 -7.849 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.822 1.843 -10.039 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.138 2.619 -7.757 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.575 2.499 -7.406 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -1.981 4.836 -9.018 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -0.866 7.065 -9.682 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.864 3.682 -7.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.769 8.216 -9.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.658 5.355 -8.190 1.00 0.00 H new ATOM 0 HH2 TRP A 79 4.118 7.630 -9.017 1.00 0.00 H new ATOM 1283 N LEU A 80 2.420 1.672 -9.885 1.00 0.00 N ATOM 1284 CA LEU A 80 3.632 1.911 -10.666 1.00 0.00 C ATOM 1285 C LEU A 80 3.373 1.556 -12.139 1.00 0.00 C ATOM 1286 O LEU A 80 3.477 2.435 -12.998 1.00 0.00 O ATOM 1287 CB LEU A 80 4.822 1.134 -10.068 1.00 0.00 C ATOM 1288 CG LEU A 80 5.583 1.919 -8.978 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.469 0.964 -8.179 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.478 3.035 -9.537 1.00 0.00 C ATOM 0 H LEU A 80 2.559 1.051 -9.088 1.00 0.00 H new ATOM 0 HA LEU A 80 3.898 2.967 -10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.459 0.198 -9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.515 0.874 -10.868 1.00 0.00 H new ATOM 0 HG LEU A 80 4.819 2.383 -8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.005 1.522 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.849 0.201 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.186 0.487 -8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.981 3.544 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.222 2.604 -10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.867 3.751 -10.087 1.00 0.00 H new ATOM 1302 N SER A 81 3.001 0.303 -12.424 1.00 0.00 N ATOM 1303 CA SER A 81 2.858 -0.216 -13.781 1.00 0.00 C ATOM 1304 C SER A 81 1.429 -0.132 -14.327 1.00 0.00 C ATOM 1305 O SER A 81 1.252 0.227 -15.492 1.00 0.00 O ATOM 1306 CB SER A 81 3.355 -1.666 -13.818 1.00 0.00 C ATOM 1307 OG SER A 81 4.538 -1.731 -14.584 1.00 0.00 O ATOM 0 H SER A 81 2.788 -0.387 -11.703 1.00 0.00 H new ATOM 0 HA SER A 81 3.462 0.417 -14.431 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.543 -2.025 -12.806 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.592 -2.314 -14.250 1.00 0.00 H new ATOM 0 HG SER A 81 4.861 -2.656 -14.609 1.00 0.00 H new ATOM 1313 N ASP A 82 0.421 -0.478 -13.523 1.00 0.00 N ATOM 1314 CA ASP A 82 -1.012 -0.409 -13.837 1.00 0.00 C ATOM 1315 C ASP A 82 -1.347 1.001 -14.309 1.00 0.00 C ATOM 1316 O ASP A 82 -1.985 1.169 -15.348 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.837 -0.758 -12.579 1.00 0.00 C ATOM 1318 CG ASP A 82 -3.348 -0.619 -12.769 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.814 0.532 -12.908 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -4.083 -1.632 -12.717 1.00 0.00 O ATOM 0 H ASP A 82 0.590 -0.834 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.255 -1.123 -14.624 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.611 -1.782 -12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.523 -0.111 -11.760 1.00 0.00 H new ATOM 1325 N GLN A 83 -0.853 1.974 -13.536 1.00 0.00 N ATOM 1326 CA GLN A 83 -0.918 3.417 -13.536 1.00 0.00 C ATOM 1327 C GLN A 83 -1.947 3.937 -12.529 1.00 0.00 C ATOM 1328 O GLN A 83 -1.696 5.007 -11.975 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.087 4.035 -14.919 1.00 0.00 C ATOM 1330 CG GLN A 83 0.181 3.909 -15.782 1.00 0.00 C ATOM 1331 CD GLN A 83 0.169 4.868 -16.973 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -0.122 6.058 -16.821 1.00 0.00 O ATOM 1333 NE2 GLN A 83 0.562 4.423 -18.154 1.00 0.00 N ATOM 0 H GLN A 83 -0.285 1.686 -12.739 1.00 0.00 H new ATOM 0 HA GLN A 83 0.064 3.755 -13.204 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.919 3.551 -15.430 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.347 5.088 -14.813 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.058 4.108 -15.166 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.272 2.885 -16.144 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.801 3.439 -18.274 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.626 5.064 -18.945 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.007 3.171 -12.220 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.121 3.395 -11.279 1.00 0.00 C ATOM 1344 C LEU A 84 -4.764 4.784 -11.306 1.00 0.00 C ATOM 1345 O LEU A 84 -5.921 4.928 -11.700 1.00 0.00 O ATOM 1346 CB LEU A 84 -3.750 2.907 -9.858 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.464 1.597 -9.462 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.632 0.767 -8.478 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.816 1.915 -8.820 1.00 0.00 C ATOM 0 H LEU A 84 -3.117 2.268 -12.681 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.934 2.772 -11.651 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.672 2.757 -9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.002 3.684 -9.136 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.602 1.014 -10.373 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.171 -0.146 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.677 0.510 -8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.456 1.346 -7.572 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.315 0.986 -8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.662 2.524 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.436 2.462 -9.530 1.00 0.00 H new