USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 529 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 Set 1.1: A 41 SER OG : rot 99:sc= 1.22 USER MOD Set 1.2: A 57 CYS SG : rot -62:sc= 0.372! USER MOD Set 2.1: A 8 ASN : amide:sc= -1.57 K(o=-5.7,f=-16!) USER MOD Set 2.2: A 19 GLN : amide:sc= -4.13! C(o=-5.7!,f=-11!) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.127) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00303 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -25:sc= 1.31 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.038) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.596 USER MOD Single : A 32 SER OG : rot -32:sc= 0.349 USER MOD Single : A 37 GLN : amide:sc= -17.4! C(o=-17!,f=-28!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 146:sc= -5.66! (180deg=-6.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= -0.0138 (180deg=-0.175) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 -13.710 6.697 6.157 1.00 0.00 N ATOM 63 CA ARG A 6 -13.987 5.265 5.840 1.00 0.00 C ATOM 64 C ARG A 6 -13.998 5.085 4.320 1.00 0.00 C ATOM 65 O ARG A 6 -14.156 6.037 3.582 1.00 0.00 O ATOM 66 CB ARG A 6 -15.360 4.884 6.394 1.00 0.00 C ATOM 67 CG ARG A 6 -15.471 5.328 7.858 1.00 0.00 C ATOM 68 CD ARG A 6 -16.679 4.642 8.533 1.00 0.00 C ATOM 69 NE ARG A 6 -17.453 5.653 9.319 1.00 0.00 N ATOM 70 CZ ARG A 6 -16.848 6.475 10.135 1.00 0.00 C ATOM 71 NH1 ARG A 6 -15.576 6.337 10.386 1.00 0.00 N ATOM 72 NH2 ARG A 6 -17.527 7.421 10.722 1.00 0.00 N ATOM 0 HA ARG A 6 -13.219 4.633 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.145 5.354 5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.506 3.806 6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.555 5.076 8.392 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -15.583 6.411 7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.319 4.185 7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.336 3.841 9.188 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.467 5.701 9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.048 5.584 9.945 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.109 6.982 11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.527 7.517 10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.058 8.065 11.360 1.00 0.00 H new ATOM 86 N ASP A 7 -13.856 3.872 3.846 1.00 0.00 N ATOM 87 CA ASP A 7 -13.882 3.626 2.368 1.00 0.00 C ATOM 88 C ASP A 7 -15.261 3.082 1.986 1.00 0.00 C ATOM 89 O ASP A 7 -16.113 2.885 2.831 1.00 0.00 O ATOM 90 CB ASP A 7 -12.802 2.608 1.992 1.00 0.00 C ATOM 91 CG ASP A 7 -13.100 1.264 2.654 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.102 1.171 3.343 1.00 0.00 O ATOM 93 OD2 ASP A 7 -12.320 0.346 2.457 1.00 0.00 O ATOM 0 H ASP A 7 -13.723 3.039 4.419 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.688 4.556 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.763 2.489 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.823 2.970 2.308 1.00 0.00 H new ATOM 98 N ASN A 8 -15.501 2.836 0.728 1.00 0.00 N ATOM 99 CA ASN A 8 -16.834 2.310 0.326 1.00 0.00 C ATOM 100 C ASN A 8 -17.066 0.946 0.988 1.00 0.00 C ATOM 101 O ASN A 8 -18.146 0.392 0.922 1.00 0.00 O ATOM 102 CB ASN A 8 -16.909 2.188 -1.202 1.00 0.00 C ATOM 103 CG ASN A 8 -15.677 1.450 -1.724 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.003 0.775 -0.979 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.345 1.560 -2.982 1.00 0.00 N ATOM 0 H ASN A 8 -14.837 2.975 -0.034 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.612 2.999 0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.814 1.652 -1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.969 3.179 -1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.519 1.077 -3.335 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.912 2.128 -3.611 1.00 0.00 H new ATOM 112 N ARG A 9 -16.067 0.409 1.651 1.00 0.00 N ATOM 113 CA ARG A 9 -16.237 -0.903 2.343 1.00 0.00 C ATOM 114 C ARG A 9 -16.550 -0.629 3.817 1.00 0.00 C ATOM 115 O ARG A 9 -16.965 -1.505 4.551 1.00 0.00 O ATOM 116 CB ARG A 9 -14.933 -1.706 2.244 1.00 0.00 C ATOM 117 CG ARG A 9 -14.605 -2.024 0.774 1.00 0.00 C ATOM 118 CD ARG A 9 -15.267 -3.335 0.358 1.00 0.00 C ATOM 119 NE ARG A 9 -14.501 -4.476 0.935 1.00 0.00 N ATOM 120 CZ ARG A 9 -15.016 -5.674 0.932 1.00 0.00 C ATOM 121 NH1 ARG A 9 -16.203 -5.873 0.430 1.00 0.00 N ATOM 122 NH2 ARG A 9 -14.343 -6.675 1.434 1.00 0.00 N ATOM 0 H ARG A 9 -15.141 0.827 1.741 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.044 -1.471 1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.116 -1.140 2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.026 -2.633 2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.952 -1.214 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.525 -2.095 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.299 -3.361 0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.295 -3.413 -0.729 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.574 -4.320 1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -16.729 -5.091 0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -16.605 -6.810 0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.415 -6.519 1.828 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.745 -7.612 1.432 1.00 0.00 H new ATOM 136 N GLY A 10 -16.372 0.597 4.246 1.00 0.00 N ATOM 137 CA GLY A 10 -16.674 0.961 5.664 1.00 0.00 C ATOM 138 C GLY A 10 -15.467 0.696 6.578 1.00 0.00 C ATOM 139 O GLY A 10 -15.578 0.766 7.786 1.00 0.00 O ATOM 0 H GLY A 10 -16.028 1.365 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.951 2.014 5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.531 0.386 6.014 1.00 0.00 H new ATOM 143 N ARG A 11 -14.315 0.402 6.029 1.00 0.00 N ATOM 144 CA ARG A 11 -13.119 0.150 6.902 1.00 0.00 C ATOM 145 C ARG A 11 -12.439 1.482 7.237 1.00 0.00 C ATOM 146 O ARG A 11 -12.511 2.428 6.482 1.00 0.00 O ATOM 147 CB ARG A 11 -12.112 -0.745 6.175 1.00 0.00 C ATOM 148 CG ARG A 11 -12.679 -2.163 6.007 1.00 0.00 C ATOM 149 CD ARG A 11 -11.540 -3.159 5.686 1.00 0.00 C ATOM 150 NE ARG A 11 -11.947 -4.060 4.562 1.00 0.00 N ATOM 151 CZ ARG A 11 -13.120 -4.641 4.547 1.00 0.00 C ATOM 152 NH1 ARG A 11 -13.924 -4.532 5.569 1.00 0.00 N ATOM 153 NH2 ARG A 11 -13.472 -5.360 3.517 1.00 0.00 N ATOM 0 H ARG A 11 -14.148 0.325 5.026 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.452 -0.343 7.815 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.879 -0.322 5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.179 -0.784 6.737 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.192 -2.468 6.919 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.418 -2.174 5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.635 -2.614 5.417 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.304 -3.751 6.570 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.298 -4.224 3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.640 -3.992 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.837 -4.987 5.551 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.834 -5.467 2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.385 -5.815 3.500 1.00 0.00 H new ATOM 167 N ILE A 12 -11.777 1.563 8.365 1.00 0.00 N ATOM 168 CA ILE A 12 -11.094 2.839 8.741 1.00 0.00 C ATOM 169 C ILE A 12 -9.709 2.896 8.084 1.00 0.00 C ATOM 170 O ILE A 12 -8.783 2.232 8.509 1.00 0.00 O ATOM 171 CB ILE A 12 -10.921 2.898 10.263 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.264 2.625 10.957 1.00 0.00 C ATOM 173 CG2 ILE A 12 -10.397 4.278 10.676 1.00 0.00 C ATOM 174 CD1 ILE A 12 -13.343 3.600 10.469 1.00 0.00 C ATOM 0 H ILE A 12 -11.680 0.804 9.039 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.699 3.680 8.402 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.202 2.136 10.566 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.578 1.600 10.759 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.145 2.719 12.036 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.277 4.312 11.759 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.434 4.460 10.198 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.107 5.045 10.365 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -14.284 3.385 10.976 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.037 4.622 10.691 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.476 3.486 9.393 1.00 0.00 H new ATOM 186 N LEU A 13 -9.558 3.689 7.054 1.00 0.00 N ATOM 187 CA LEU A 13 -8.230 3.801 6.371 1.00 0.00 C ATOM 188 C LEU A 13 -7.451 4.968 6.987 1.00 0.00 C ATOM 189 O LEU A 13 -8.025 5.951 7.411 1.00 0.00 O ATOM 190 CB LEU A 13 -8.456 4.050 4.874 1.00 0.00 C ATOM 191 CG LEU A 13 -9.347 5.310 4.656 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.489 6.491 4.183 1.00 0.00 C ATOM 193 CD2 LEU A 13 -10.422 5.011 3.597 1.00 0.00 C ATOM 0 H LEU A 13 -10.298 4.266 6.654 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.660 2.881 6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.497 4.185 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.931 3.179 4.423 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.824 5.567 5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.123 7.365 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.732 6.715 4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.001 6.233 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.042 5.895 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.941 4.743 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.045 4.183 3.935 1.00 0.00 H new ATOM 205 N LYS A 14 -6.149 4.860 7.066 1.00 0.00 N ATOM 206 CA LYS A 14 -5.343 5.956 7.686 1.00 0.00 C ATOM 207 C LYS A 14 -4.938 7.006 6.652 1.00 0.00 C ATOM 208 O LYS A 14 -5.343 6.975 5.508 1.00 0.00 O ATOM 209 CB LYS A 14 -4.084 5.366 8.309 1.00 0.00 C ATOM 210 CG LYS A 14 -4.482 4.241 9.271 1.00 0.00 C ATOM 211 CD LYS A 14 -3.276 3.813 10.144 1.00 0.00 C ATOM 212 CE LYS A 14 -3.771 3.408 11.534 1.00 0.00 C ATOM 213 NZ LYS A 14 -4.687 2.240 11.411 1.00 0.00 N ATOM 0 H LYS A 14 -5.610 4.062 6.729 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.958 6.438 8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.425 4.980 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.530 6.139 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.299 4.575 9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.849 3.385 8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.752 2.980 9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.563 4.633 10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.926 3.156 12.174 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.289 4.243 12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.810 1.795 12.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.611 2.559 11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.281 1.549 10.748 1.00 0.00 H new ATOM 227 N THR A 15 -4.137 7.945 7.081 1.00 0.00 N ATOM 228 CA THR A 15 -3.662 9.043 6.178 1.00 0.00 C ATOM 229 C THR A 15 -2.935 8.472 4.955 1.00 0.00 C ATOM 230 O THR A 15 -2.263 7.463 5.034 1.00 0.00 O ATOM 231 CB THR A 15 -2.688 9.953 6.950 1.00 0.00 C ATOM 232 OG1 THR A 15 -3.252 10.279 8.213 1.00 0.00 O ATOM 233 CG2 THR A 15 -2.426 11.257 6.165 1.00 0.00 C ATOM 0 H THR A 15 -3.784 8.001 8.036 1.00 0.00 H new ATOM 0 HA THR A 15 -4.531 9.609 5.841 1.00 0.00 H new ATOM 0 HB THR A 15 -1.745 9.423 7.082 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.634 10.857 8.708 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.736 11.887 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.991 11.017 5.195 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.366 11.789 6.019 1.00 0.00 H new ATOM 241 N GLY A 16 -3.040 9.134 3.832 1.00 0.00 N ATOM 242 CA GLY A 16 -2.332 8.664 2.603 1.00 0.00 C ATOM 243 C GLY A 16 -3.170 7.623 1.863 1.00 0.00 C ATOM 244 O GLY A 16 -3.303 7.668 0.657 1.00 0.00 O ATOM 0 H GLY A 16 -3.589 9.985 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.132 9.511 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.367 8.236 2.874 1.00 0.00 H new ATOM 248 N GLU A 17 -3.733 6.682 2.565 1.00 0.00 N ATOM 249 CA GLU A 17 -4.550 5.643 1.883 1.00 0.00 C ATOM 250 C GLU A 17 -5.816 6.283 1.307 1.00 0.00 C ATOM 251 O GLU A 17 -6.336 7.240 1.843 1.00 0.00 O ATOM 252 CB GLU A 17 -4.935 4.565 2.890 1.00 0.00 C ATOM 253 CG GLU A 17 -3.677 3.823 3.337 1.00 0.00 C ATOM 254 CD GLU A 17 -4.061 2.719 4.324 1.00 0.00 C ATOM 255 OE1 GLU A 17 -5.246 2.526 4.536 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.162 2.082 4.849 1.00 0.00 O ATOM 0 H GLU A 17 -3.663 6.587 3.578 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.972 5.197 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.431 5.015 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.643 3.868 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.169 3.393 2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.979 4.517 3.805 1.00 0.00 H new ATOM 263 N SER A 18 -6.314 5.759 0.219 1.00 0.00 N ATOM 264 CA SER A 18 -7.546 6.334 -0.394 1.00 0.00 C ATOM 265 C SER A 18 -8.232 5.274 -1.259 1.00 0.00 C ATOM 266 O SER A 18 -7.603 4.347 -1.730 1.00 0.00 O ATOM 267 CB SER A 18 -7.171 7.536 -1.260 1.00 0.00 C ATOM 268 OG SER A 18 -8.356 8.186 -1.696 1.00 0.00 O ATOM 0 H SER A 18 -5.920 4.957 -0.272 1.00 0.00 H new ATOM 0 HA SER A 18 -8.228 6.653 0.394 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.550 8.229 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.583 7.211 -2.119 1.00 0.00 H new ATOM 0 HG SER A 18 -8.120 8.959 -2.251 1.00 0.00 H new ATOM 274 N GLN A 19 -9.521 5.401 -1.461 1.00 0.00 N ATOM 275 CA GLN A 19 -10.276 4.404 -2.288 1.00 0.00 C ATOM 276 C GLN A 19 -10.727 5.048 -3.603 1.00 0.00 C ATOM 277 O GLN A 19 -11.272 6.132 -3.622 1.00 0.00 O ATOM 278 CB GLN A 19 -11.510 3.947 -1.503 1.00 0.00 C ATOM 279 CG GLN A 19 -12.176 2.754 -2.207 1.00 0.00 C ATOM 280 CD GLN A 19 -11.474 1.454 -1.799 1.00 0.00 C ATOM 281 OE1 GLN A 19 -10.260 1.375 -1.811 1.00 0.00 O ATOM 282 NE2 GLN A 19 -12.192 0.428 -1.432 1.00 0.00 N ATOM 0 H GLN A 19 -10.089 6.160 -1.085 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.632 3.553 -2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.222 3.666 -0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.220 4.770 -1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.232 2.707 -1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.124 2.882 -3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.210 0.495 -1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.735 -0.441 -1.155 1.00 0.00 H new ATOM 291 N ARG A 20 -10.506 4.379 -4.704 1.00 0.00 N ATOM 292 CA ARG A 20 -10.923 4.935 -6.027 1.00 0.00 C ATOM 293 C ARG A 20 -12.346 4.480 -6.367 1.00 0.00 C ATOM 294 O ARG A 20 -13.001 3.816 -5.588 1.00 0.00 O ATOM 295 CB ARG A 20 -9.958 4.460 -7.110 1.00 0.00 C ATOM 296 CG ARG A 20 -8.582 5.095 -6.877 1.00 0.00 C ATOM 297 CD ARG A 20 -7.710 4.927 -8.125 1.00 0.00 C ATOM 298 NE ARG A 20 -8.008 6.022 -9.091 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.186 6.256 -10.078 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.114 5.527 -10.214 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.438 7.213 -10.929 1.00 0.00 N ATOM 0 H ARG A 20 -10.052 3.466 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.904 6.024 -5.976 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.878 3.373 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.336 4.734 -8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.696 6.153 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.098 4.629 -6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.655 4.947 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.900 3.958 -8.587 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.851 6.586 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.920 4.777 -9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.469 5.707 -10.984 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.279 7.780 -10.824 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.794 7.393 -11.699 1.00 0.00 H new ATOM 315 N LYS A 21 -12.827 4.849 -7.525 1.00 0.00 N ATOM 316 CA LYS A 21 -14.211 4.465 -7.931 1.00 0.00 C ATOM 317 C LYS A 21 -14.323 2.953 -8.158 1.00 0.00 C ATOM 318 O LYS A 21 -15.395 2.389 -8.076 1.00 0.00 O ATOM 319 CB LYS A 21 -14.587 5.202 -9.223 1.00 0.00 C ATOM 320 CG LYS A 21 -13.554 4.911 -10.347 1.00 0.00 C ATOM 321 CD LYS A 21 -12.594 6.102 -10.526 1.00 0.00 C ATOM 322 CE LYS A 21 -13.253 7.184 -11.392 1.00 0.00 C ATOM 323 NZ LYS A 21 -12.374 8.389 -11.440 1.00 0.00 N ATOM 0 H LYS A 21 -12.316 5.404 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.893 4.743 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.580 4.892 -9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.633 6.275 -9.035 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.986 4.013 -10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.075 4.713 -11.284 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.329 6.515 -9.553 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.668 5.766 -10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.423 6.805 -12.400 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.228 7.448 -10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.821 9.122 -12.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.234 8.755 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.454 8.131 -11.850 1.00 0.00 H new ATOM 337 N ASP A 22 -13.239 2.294 -8.454 1.00 0.00 N ATOM 338 CA ASP A 22 -13.308 0.820 -8.697 1.00 0.00 C ATOM 339 C ASP A 22 -13.133 0.069 -7.372 1.00 0.00 C ATOM 340 O ASP A 22 -13.414 -1.108 -7.279 1.00 0.00 O ATOM 341 CB ASP A 22 -12.206 0.418 -9.676 1.00 0.00 C ATOM 342 CG ASP A 22 -12.530 0.981 -11.060 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.703 1.168 -11.343 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.601 1.217 -11.813 1.00 0.00 O ATOM 0 H ASP A 22 -12.310 2.707 -8.539 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.279 0.564 -9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.243 0.797 -9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.123 -0.668 -9.723 1.00 0.00 H new ATOM 349 N GLY A 23 -12.702 0.750 -6.340 1.00 0.00 N ATOM 350 CA GLY A 23 -12.540 0.089 -5.005 1.00 0.00 C ATOM 351 C GLY A 23 -11.073 -0.269 -4.732 1.00 0.00 C ATOM 352 O GLY A 23 -10.711 -0.563 -3.610 1.00 0.00 O ATOM 0 H GLY A 23 -12.454 1.739 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.906 0.753 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.149 -0.814 -4.968 1.00 0.00 H new ATOM 356 N ARG A 24 -10.217 -0.250 -5.721 1.00 0.00 N ATOM 357 CA ARG A 24 -8.792 -0.596 -5.439 1.00 0.00 C ATOM 358 C ARG A 24 -8.194 0.449 -4.500 1.00 0.00 C ATOM 359 O ARG A 24 -8.475 1.627 -4.603 1.00 0.00 O ATOM 360 CB ARG A 24 -7.978 -0.666 -6.735 1.00 0.00 C ATOM 361 CG ARG A 24 -8.179 0.607 -7.551 1.00 0.00 C ATOM 362 CD ARG A 24 -7.401 0.517 -8.883 1.00 0.00 C ATOM 363 NE ARG A 24 -6.658 1.790 -9.106 1.00 0.00 N ATOM 364 CZ ARG A 24 -5.731 1.853 -10.024 1.00 0.00 C ATOM 365 NH1 ARG A 24 -5.443 0.796 -10.730 1.00 0.00 N ATOM 366 NH2 ARG A 24 -5.087 2.968 -10.227 1.00 0.00 N ATOM 0 H ARG A 24 -10.435 -0.016 -6.690 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.757 -1.577 -4.966 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.921 -0.795 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.284 -1.534 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.240 0.755 -7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.838 1.471 -6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.707 -0.323 -8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.090 0.335 -9.708 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.874 2.612 -8.542 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.941 -0.079 -10.565 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.719 0.843 -11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.307 3.793 -9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.363 3.016 -10.944 1.00 0.00 H new ATOM 380 N TYR A 25 -7.382 0.022 -3.572 1.00 0.00 N ATOM 381 CA TYR A 25 -6.774 0.979 -2.610 1.00 0.00 C ATOM 382 C TYR A 25 -5.566 1.659 -3.242 1.00 0.00 C ATOM 383 O TYR A 25 -5.075 1.244 -4.276 1.00 0.00 O ATOM 384 CB TYR A 25 -6.353 0.238 -1.350 1.00 0.00 C ATOM 385 CG TYR A 25 -7.591 -0.243 -0.632 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.442 0.681 -0.013 1.00 0.00 C ATOM 387 CD2 TYR A 25 -7.893 -1.609 -0.594 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.595 0.239 0.645 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.046 -2.051 0.063 1.00 0.00 C ATOM 390 CZ TYR A 25 -9.898 -1.128 0.683 1.00 0.00 C ATOM 391 OH TYR A 25 -11.033 -1.567 1.333 1.00 0.00 O ATOM 0 H TYR A 25 -7.114 -0.953 -3.440 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.509 1.741 -2.350 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.713 -0.606 -1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.772 0.895 -0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.208 1.735 -0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.236 -2.321 -1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.251 0.951 1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.280 -3.105 0.092 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.288 -0.918 2.021 1.00 0.00 H new ATOM 401 N LEU A 26 -5.109 2.714 -2.631 1.00 0.00 N ATOM 402 CA LEU A 26 -3.953 3.474 -3.184 1.00 0.00 C ATOM 403 C LEU A 26 -3.217 4.204 -2.044 1.00 0.00 C ATOM 404 O LEU A 26 -3.807 4.965 -1.304 1.00 0.00 O ATOM 405 CB LEU A 26 -4.531 4.480 -4.200 1.00 0.00 C ATOM 406 CG LEU A 26 -3.574 5.653 -4.474 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.224 5.135 -4.981 1.00 0.00 C ATOM 408 CD2 LEU A 26 -4.206 6.561 -5.537 1.00 0.00 C ATOM 0 H LEU A 26 -5.491 3.087 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.233 2.815 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.746 3.964 -5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.478 4.868 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.407 6.208 -3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.559 5.978 -5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.779 4.483 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.373 4.576 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.539 7.399 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.367 5.992 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.161 6.939 -5.172 1.00 0.00 H new ATOM 420 N TYR A 27 -1.929 3.991 -1.921 1.00 0.00 N ATOM 421 CA TYR A 27 -1.121 4.678 -0.860 1.00 0.00 C ATOM 422 C TYR A 27 0.127 5.287 -1.521 1.00 0.00 C ATOM 423 O TYR A 27 0.386 5.055 -2.684 1.00 0.00 O ATOM 424 CB TYR A 27 -0.738 3.667 0.231 1.00 0.00 C ATOM 425 CG TYR A 27 0.170 4.310 1.249 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.325 5.306 2.100 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.505 3.896 1.357 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.514 5.889 3.056 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.343 4.481 2.313 1.00 0.00 C ATOM 430 CZ TYR A 27 1.848 5.477 3.162 1.00 0.00 C ATOM 431 OH TYR A 27 2.674 6.054 4.104 1.00 0.00 O ATOM 0 H TYR A 27 -1.394 3.361 -2.519 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.698 5.474 -0.389 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.637 3.293 0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.240 2.808 -0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.354 5.624 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.887 3.126 0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.133 6.657 3.712 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.372 4.164 2.396 1.00 0.00 H new ATOM 0 HH TYR A 27 3.567 5.654 4.045 1.00 0.00 H new ATOM 441 N LYS A 28 0.873 6.100 -0.814 1.00 0.00 N ATOM 442 CA LYS A 28 2.074 6.766 -1.430 1.00 0.00 C ATOM 443 C LYS A 28 3.253 6.801 -0.448 1.00 0.00 C ATOM 444 O LYS A 28 3.088 7.046 0.730 1.00 0.00 O ATOM 445 CB LYS A 28 1.683 8.214 -1.782 1.00 0.00 C ATOM 446 CG LYS A 28 2.855 8.958 -2.458 1.00 0.00 C ATOM 447 CD LYS A 28 2.567 10.470 -2.487 1.00 0.00 C ATOM 448 CE LYS A 28 3.863 11.239 -2.760 1.00 0.00 C ATOM 449 NZ LYS A 28 4.659 11.338 -1.501 1.00 0.00 N ATOM 0 H LYS A 28 0.706 6.334 0.165 1.00 0.00 H new ATOM 0 HA LYS A 28 2.379 6.206 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.819 8.209 -2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.386 8.744 -0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.781 8.765 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.997 8.586 -3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.831 10.695 -3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.139 10.786 -1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.444 10.732 -3.531 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.634 12.236 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.099 12.278 -1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.033 11.196 -0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.400 10.608 -1.501 1.00 0.00 H new ATOM 463 N TYR A 29 4.454 6.612 -0.945 1.00 0.00 N ATOM 464 CA TYR A 29 5.664 6.698 -0.062 1.00 0.00 C ATOM 465 C TYR A 29 6.854 7.205 -0.893 1.00 0.00 C ATOM 466 O TYR A 29 6.688 7.619 -2.025 1.00 0.00 O ATOM 467 CB TYR A 29 5.966 5.340 0.596 1.00 0.00 C ATOM 468 CG TYR A 29 6.448 4.329 -0.412 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.525 3.566 -1.141 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.819 4.133 -0.602 1.00 0.00 C ATOM 471 CE1 TYR A 29 5.979 2.616 -2.061 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.271 3.181 -1.520 1.00 0.00 C ATOM 473 CZ TYR A 29 7.350 2.423 -2.249 1.00 0.00 C ATOM 474 OH TYR A 29 7.794 1.487 -3.159 1.00 0.00 O ATOM 0 H TYR A 29 4.649 6.402 -1.924 1.00 0.00 H new ATOM 0 HA TYR A 29 5.475 7.402 0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.722 5.471 1.371 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.068 4.965 1.087 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.465 3.712 -0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.530 4.718 -0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.269 2.031 -2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.331 3.031 -1.666 1.00 0.00 H new ATOM 0 HH TYR A 29 8.774 1.479 -3.168 1.00 0.00 H new ATOM 484 N ILE A 30 8.045 7.216 -0.337 1.00 0.00 N ATOM 485 CA ILE A 30 9.238 7.733 -1.094 1.00 0.00 C ATOM 486 C ILE A 30 10.227 6.597 -1.358 1.00 0.00 C ATOM 487 O ILE A 30 10.544 5.820 -0.480 1.00 0.00 O ATOM 488 CB ILE A 30 9.925 8.823 -0.264 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.926 9.956 0.045 1.00 0.00 C ATOM 490 CG2 ILE A 30 11.126 9.383 -1.033 1.00 0.00 C ATOM 491 CD1 ILE A 30 8.312 10.520 -1.246 1.00 0.00 C ATOM 0 H ILE A 30 8.244 6.890 0.609 1.00 0.00 H new ATOM 0 HA ILE A 30 8.908 8.144 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 30 10.272 8.390 0.674 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.135 9.580 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.433 10.753 0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.610 10.157 -0.438 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.837 8.581 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.787 9.810 -1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.611 11.317 -0.998 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.103 10.917 -1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.785 9.726 -1.775 1.00 0.00 H new ATOM 503 N ASP A 31 10.729 6.504 -2.562 1.00 0.00 N ATOM 504 CA ASP A 31 11.704 5.424 -2.881 1.00 0.00 C ATOM 505 C ASP A 31 13.111 5.865 -2.464 1.00 0.00 C ATOM 506 O ASP A 31 13.327 6.991 -2.066 1.00 0.00 O ATOM 507 CB ASP A 31 11.710 5.157 -4.383 1.00 0.00 C ATOM 508 CG ASP A 31 10.286 4.999 -4.896 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.689 6.001 -5.249 1.00 0.00 O ATOM 510 OD2 ASP A 31 9.825 3.875 -4.942 1.00 0.00 O ATOM 0 H ASP A 31 10.505 7.129 -3.336 1.00 0.00 H new ATOM 0 HA ASP A 31 11.415 4.521 -2.344 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.202 5.978 -4.903 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.283 4.255 -4.597 1.00 0.00 H new ATOM 515 N SER A 32 14.073 4.992 -2.580 1.00 0.00 N ATOM 516 CA SER A 32 15.471 5.364 -2.220 1.00 0.00 C ATOM 517 C SER A 32 15.971 6.418 -3.209 1.00 0.00 C ATOM 518 O SER A 32 17.051 6.955 -3.067 1.00 0.00 O ATOM 519 CB SER A 32 16.375 4.135 -2.301 1.00 0.00 C ATOM 520 OG SER A 32 17.672 4.474 -1.825 1.00 0.00 O ATOM 0 H SER A 32 13.951 4.034 -2.909 1.00 0.00 H new ATOM 0 HA SER A 32 15.492 5.758 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.958 3.322 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.434 3.780 -3.330 1.00 0.00 H new ATOM 0 HG SER A 32 17.865 5.411 -2.040 1.00 0.00 H new ATOM 526 N PHE A 33 15.196 6.701 -4.224 1.00 0.00 N ATOM 527 CA PHE A 33 15.622 7.702 -5.247 1.00 0.00 C ATOM 528 C PHE A 33 14.970 9.051 -4.929 1.00 0.00 C ATOM 529 O PHE A 33 15.239 10.050 -5.570 1.00 0.00 O ATOM 530 CB PHE A 33 15.159 7.230 -6.631 1.00 0.00 C ATOM 531 CG PHE A 33 15.600 5.799 -6.872 1.00 0.00 C ATOM 532 CD1 PHE A 33 14.959 4.748 -6.204 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.633 5.520 -7.774 1.00 0.00 C ATOM 534 CE1 PHE A 33 15.347 3.424 -6.432 1.00 0.00 C ATOM 535 CE2 PHE A 33 17.024 4.195 -8.001 1.00 0.00 C ATOM 536 CZ PHE A 33 16.380 3.146 -7.331 1.00 0.00 C ATOM 0 H PHE A 33 14.282 6.280 -4.389 1.00 0.00 H new ATOM 0 HA PHE A 33 16.707 7.806 -5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.074 7.301 -6.703 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.572 7.880 -7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 33 14.160 4.961 -5.509 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.128 6.326 -8.295 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.849 2.618 -5.914 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.824 3.981 -8.694 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.682 2.124 -7.509 1.00 0.00 H new ATOM 546 N GLY A 34 14.119 9.088 -3.937 1.00 0.00 N ATOM 547 CA GLY A 34 13.453 10.370 -3.567 1.00 0.00 C ATOM 548 C GLY A 34 12.276 10.622 -4.501 1.00 0.00 C ATOM 549 O GLY A 34 11.570 11.604 -4.374 1.00 0.00 O ATOM 0 H GLY A 34 13.857 8.284 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.108 10.327 -2.534 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.165 11.193 -3.632 1.00 0.00 H new ATOM 553 N GLU A 35 12.055 9.744 -5.442 1.00 0.00 N ATOM 554 CA GLU A 35 10.919 9.931 -6.386 1.00 0.00 C ATOM 555 C GLU A 35 9.643 9.349 -5.754 1.00 0.00 C ATOM 556 O GLU A 35 9.702 8.353 -5.062 1.00 0.00 O ATOM 557 CB GLU A 35 11.243 9.209 -7.706 1.00 0.00 C ATOM 558 CG GLU A 35 11.105 7.675 -7.534 1.00 0.00 C ATOM 559 CD GLU A 35 9.688 7.205 -7.904 1.00 0.00 C ATOM 560 OE1 GLU A 35 8.909 8.013 -8.382 1.00 0.00 O ATOM 561 OE2 GLU A 35 9.409 6.035 -7.701 1.00 0.00 O ATOM 0 H GLU A 35 12.614 8.905 -5.597 1.00 0.00 H new ATOM 0 HA GLU A 35 10.762 10.990 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.570 9.555 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.256 9.456 -8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.836 7.168 -8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.326 7.400 -6.503 1.00 0.00 H new ATOM 568 N PRO A 36 8.495 9.953 -5.978 1.00 0.00 N ATOM 569 CA PRO A 36 7.214 9.451 -5.405 1.00 0.00 C ATOM 570 C PRO A 36 6.672 8.240 -6.174 1.00 0.00 C ATOM 571 O PRO A 36 6.569 8.259 -7.384 1.00 0.00 O ATOM 572 CB PRO A 36 6.271 10.650 -5.553 1.00 0.00 C ATOM 573 CG PRO A 36 6.754 11.351 -6.779 1.00 0.00 C ATOM 574 CD PRO A 36 8.277 11.171 -6.790 1.00 0.00 C ATOM 0 HA PRO A 36 7.328 9.106 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.235 10.330 -5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.315 11.301 -4.680 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.303 10.926 -7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.485 12.407 -6.757 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.658 11.049 -7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.785 12.034 -6.360 1.00 0.00 H new ATOM 582 N GLN A 37 6.309 7.200 -5.472 1.00 0.00 N ATOM 583 CA GLN A 37 5.747 5.981 -6.132 1.00 0.00 C ATOM 584 C GLN A 37 4.447 5.635 -5.407 1.00 0.00 C ATOM 585 O GLN A 37 4.121 6.235 -4.400 1.00 0.00 O ATOM 586 CB GLN A 37 6.752 4.822 -6.029 1.00 0.00 C ATOM 587 CG GLN A 37 6.768 4.251 -4.614 1.00 0.00 C ATOM 588 CD GLN A 37 6.890 5.393 -3.606 1.00 0.00 C ATOM 589 OE1 GLN A 37 6.075 5.512 -2.719 1.00 0.00 O ATOM 590 NE2 GLN A 37 7.865 6.258 -3.723 1.00 0.00 N ATOM 0 H GLN A 37 6.378 7.141 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 37 5.555 6.159 -7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.487 4.039 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.749 5.172 -6.297 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.856 3.684 -4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.602 3.559 -4.499 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.551 6.156 -4.471 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.939 7.035 -3.066 1.00 0.00 H new ATOM 599 N PHE A 38 3.690 4.695 -5.905 1.00 0.00 N ATOM 600 CA PHE A 38 2.404 4.345 -5.230 1.00 0.00 C ATOM 601 C PHE A 38 2.176 2.836 -5.263 1.00 0.00 C ATOM 602 O PHE A 38 2.780 2.119 -6.037 1.00 0.00 O ATOM 603 CB PHE A 38 1.259 5.019 -5.976 1.00 0.00 C ATOM 604 CG PHE A 38 1.556 6.489 -6.151 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.478 6.907 -7.119 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.907 7.434 -5.352 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.750 8.271 -7.285 1.00 0.00 C ATOM 608 CE2 PHE A 38 1.177 8.796 -5.517 1.00 0.00 C ATOM 609 CZ PHE A 38 2.098 9.215 -6.484 1.00 0.00 C ATOM 0 H PHE A 38 3.903 4.156 -6.745 1.00 0.00 H new ATOM 0 HA PHE A 38 2.447 4.681 -4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.120 4.548 -6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.328 4.890 -5.424 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.979 6.177 -7.738 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.196 7.112 -4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.462 8.594 -8.030 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.675 9.525 -4.898 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.305 10.267 -6.612 1.00 0.00 H new ATOM 619 N VAL A 39 1.279 2.359 -4.434 1.00 0.00 N ATOM 620 CA VAL A 39 0.955 0.901 -4.399 1.00 0.00 C ATOM 621 C VAL A 39 -0.551 0.738 -4.640 1.00 0.00 C ATOM 622 O VAL A 39 -1.357 1.452 -4.079 1.00 0.00 O ATOM 623 CB VAL A 39 1.313 0.342 -3.020 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.800 0.011 -2.958 1.00 0.00 C ATOM 625 CG2 VAL A 39 0.988 1.388 -1.963 1.00 0.00 C ATOM 0 H VAL A 39 0.751 2.928 -3.772 1.00 0.00 H new ATOM 0 HA VAL A 39 1.518 0.366 -5.163 1.00 0.00 H new ATOM 0 HB VAL A 39 0.739 -0.567 -2.839 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.044 -0.386 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.039 -0.733 -3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.382 0.915 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.240 0.999 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.567 2.291 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.076 1.624 -1.999 1.00 0.00 H new ATOM 635 N TYR A 40 -0.928 -0.195 -5.472 1.00 0.00 N ATOM 636 CA TYR A 40 -2.376 -0.424 -5.774 1.00 0.00 C ATOM 637 C TYR A 40 -2.756 -1.862 -5.445 1.00 0.00 C ATOM 638 O TYR A 40 -1.995 -2.785 -5.665 1.00 0.00 O ATOM 639 CB TYR A 40 -2.622 -0.204 -7.266 1.00 0.00 C ATOM 640 CG TYR A 40 -2.553 1.262 -7.590 1.00 0.00 C ATOM 641 CD1 TYR A 40 -3.696 2.052 -7.445 1.00 0.00 C ATOM 642 CD2 TYR A 40 -1.358 1.830 -8.046 1.00 0.00 C ATOM 643 CE1 TYR A 40 -3.649 3.412 -7.755 1.00 0.00 C ATOM 644 CE2 TYR A 40 -1.308 3.194 -8.359 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.454 3.987 -8.213 1.00 0.00 C ATOM 646 OH TYR A 40 -2.407 5.332 -8.518 1.00 0.00 O ATOM 0 H TYR A 40 -0.287 -0.818 -5.963 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.971 0.267 -5.177 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.879 -0.749 -7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.599 -0.600 -7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.616 1.610 -7.093 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.476 1.217 -8.156 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.533 4.022 -7.642 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.387 3.634 -8.712 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.505 5.568 -8.819 1.00 0.00 H new ATOM 656 N SER A 41 -3.942 -2.066 -4.949 1.00 0.00 N ATOM 657 CA SER A 41 -4.382 -3.454 -4.640 1.00 0.00 C ATOM 658 C SER A 41 -5.863 -3.457 -4.269 1.00 0.00 C ATOM 659 O SER A 41 -6.420 -2.457 -3.861 1.00 0.00 O ATOM 660 CB SER A 41 -3.567 -4.025 -3.483 1.00 0.00 C ATOM 661 OG SER A 41 -3.944 -5.380 -3.274 1.00 0.00 O ATOM 0 H SER A 41 -4.624 -1.336 -4.745 1.00 0.00 H new ATOM 0 HA SER A 41 -4.226 -4.073 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.502 -3.961 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.739 -3.443 -2.578 1.00 0.00 H new ATOM 0 HG SER A 41 -3.296 -5.971 -3.712 1.00 0.00 H new ATOM 667 N TRP A 42 -6.507 -4.585 -4.407 1.00 0.00 N ATOM 668 CA TRP A 42 -7.953 -4.680 -4.065 1.00 0.00 C ATOM 669 C TRP A 42 -8.102 -5.103 -2.604 1.00 0.00 C ATOM 670 O TRP A 42 -9.182 -5.433 -2.151 1.00 0.00 O ATOM 671 CB TRP A 42 -8.606 -5.731 -4.968 1.00 0.00 C ATOM 672 CG TRP A 42 -8.824 -5.157 -6.322 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.910 -5.127 -7.310 1.00 0.00 C ATOM 674 CD2 TRP A 42 -10.024 -4.532 -6.848 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.470 -4.510 -8.412 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.774 -4.131 -8.179 1.00 0.00 C ATOM 677 CE3 TRP A 42 -11.293 -4.279 -6.304 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.750 -3.496 -8.944 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -12.280 -3.641 -7.070 1.00 0.00 C ATOM 680 CH2 TRP A 42 -12.009 -3.251 -8.389 1.00 0.00 C ATOM 0 H TRP A 42 -6.088 -5.451 -4.745 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.434 -3.713 -4.212 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.971 -6.614 -5.034 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.556 -6.053 -4.541 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.906 -5.520 -7.251 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.978 -4.354 -9.292 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.511 -4.577 -5.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.535 -3.195 -9.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -13.253 -3.449 -6.642 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.772 -2.762 -8.976 1.00 0.00 H new ATOM 691 N LYS A 43 -7.019 -5.106 -1.865 1.00 0.00 N ATOM 692 CA LYS A 43 -7.074 -5.517 -0.428 1.00 0.00 C ATOM 693 C LYS A 43 -6.345 -4.497 0.438 1.00 0.00 C ATOM 694 O LYS A 43 -5.302 -3.983 0.080 1.00 0.00 O ATOM 695 CB LYS A 43 -6.384 -6.869 -0.275 1.00 0.00 C ATOM 696 CG LYS A 43 -7.219 -7.943 -0.970 1.00 0.00 C ATOM 697 CD LYS A 43 -6.717 -9.339 -0.578 1.00 0.00 C ATOM 698 CE LYS A 43 -5.342 -9.612 -1.198 1.00 0.00 C ATOM 699 NZ LYS A 43 -5.371 -9.324 -2.663 1.00 0.00 N ATOM 0 H LYS A 43 -6.093 -4.839 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.116 -5.579 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.385 -6.831 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.264 -7.112 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.268 -7.835 -0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.160 -7.817 -2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.654 -9.417 0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.429 -10.094 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.587 -8.993 -0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.059 -10.651 -1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.448 -8.950 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.575 -10.200 -3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.110 -8.621 -2.864 1.00 0.00 H new ATOM 713 N LEU A 44 -6.881 -4.220 1.593 1.00 0.00 N ATOM 714 CA LEU A 44 -6.231 -3.257 2.521 1.00 0.00 C ATOM 715 C LEU A 44 -5.366 -4.040 3.500 1.00 0.00 C ATOM 716 O LEU A 44 -4.279 -3.637 3.822 1.00 0.00 O ATOM 717 CB LEU A 44 -7.312 -2.482 3.280 1.00 0.00 C ATOM 718 CG LEU A 44 -6.684 -1.627 4.393 1.00 0.00 C ATOM 719 CD1 LEU A 44 -5.595 -0.705 3.813 1.00 0.00 C ATOM 720 CD2 LEU A 44 -7.785 -0.784 5.053 1.00 0.00 C ATOM 0 H LEU A 44 -7.752 -4.625 1.937 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.612 -2.551 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.862 -1.843 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.031 -3.178 3.711 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.222 -2.280 5.133 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.161 -0.107 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.816 -1.310 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.037 -0.045 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.350 -0.173 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.245 -0.137 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.542 -1.443 5.478 1.00 0.00 H new ATOM 732 N VAL A 45 -5.847 -5.166 3.969 1.00 0.00 N ATOM 733 CA VAL A 45 -5.057 -5.999 4.933 1.00 0.00 C ATOM 734 C VAL A 45 -4.746 -7.345 4.280 1.00 0.00 C ATOM 735 O VAL A 45 -5.295 -7.695 3.252 1.00 0.00 O ATOM 736 CB VAL A 45 -5.877 -6.240 6.219 1.00 0.00 C ATOM 737 CG1 VAL A 45 -4.941 -6.480 7.410 1.00 0.00 C ATOM 738 CG2 VAL A 45 -6.761 -5.022 6.503 1.00 0.00 C ATOM 0 H VAL A 45 -6.761 -5.548 3.724 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.134 -5.479 5.190 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.502 -7.121 6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.533 -6.648 8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.321 -7.355 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.303 -5.608 7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.338 -5.195 7.411 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.134 -4.140 6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.441 -4.863 5.666 1.00 0.00 H new ATOM 748 N ALA A 46 -3.873 -8.100 4.871 1.00 0.00 N ATOM 749 CA ALA A 46 -3.522 -9.429 4.287 1.00 0.00 C ATOM 750 C ALA A 46 -4.662 -10.419 4.534 1.00 0.00 C ATOM 751 O ALA A 46 -4.762 -11.442 3.884 1.00 0.00 O ATOM 752 CB ALA A 46 -2.237 -9.955 4.930 1.00 0.00 C ATOM 0 H ALA A 46 -3.384 -7.861 5.733 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.367 -9.318 3.214 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.986 -10.925 4.500 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.424 -9.254 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.385 -10.062 6.005 1.00 0.00 H new ATOM 758 N THR A 47 -5.518 -10.131 5.476 1.00 0.00 N ATOM 759 CA THR A 47 -6.646 -11.063 5.776 1.00 0.00 C ATOM 760 C THR A 47 -7.870 -10.707 4.927 1.00 0.00 C ATOM 761 O THR A 47 -8.864 -11.406 4.936 1.00 0.00 O ATOM 762 CB THR A 47 -6.998 -10.947 7.258 1.00 0.00 C ATOM 763 OG1 THR A 47 -7.405 -9.616 7.540 1.00 0.00 O ATOM 764 CG2 THR A 47 -5.769 -11.296 8.098 1.00 0.00 C ATOM 0 H THR A 47 -5.486 -9.290 6.052 1.00 0.00 H new ATOM 0 HA THR A 47 -6.346 -12.084 5.541 1.00 0.00 H new ATOM 0 HB THR A 47 -7.809 -11.634 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.633 -9.538 8.490 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.017 -11.214 9.156 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.455 -12.316 7.877 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.958 -10.607 7.861 1.00 0.00 H new ATOM 772 N ASP A 48 -7.811 -9.633 4.185 1.00 0.00 N ATOM 773 CA ASP A 48 -8.978 -9.256 3.333 1.00 0.00 C ATOM 774 C ASP A 48 -9.098 -10.246 2.168 1.00 0.00 C ATOM 775 O ASP A 48 -8.240 -11.083 1.967 1.00 0.00 O ATOM 776 CB ASP A 48 -8.784 -7.838 2.793 1.00 0.00 C ATOM 777 CG ASP A 48 -8.977 -6.826 3.925 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.557 -7.195 4.934 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.544 -5.697 3.762 1.00 0.00 O ATOM 0 H ASP A 48 -7.010 -9.003 4.132 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.890 -9.288 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.787 -7.734 2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.497 -7.643 1.992 1.00 0.00 H new ATOM 784 N ARG A 49 -10.159 -10.166 1.403 1.00 0.00 N ATOM 785 CA ARG A 49 -10.337 -11.112 0.254 1.00 0.00 C ATOM 786 C ARG A 49 -10.964 -10.359 -0.930 1.00 0.00 C ATOM 787 O ARG A 49 -11.910 -9.614 -0.773 1.00 0.00 O ATOM 788 CB ARG A 49 -11.251 -12.273 0.710 1.00 0.00 C ATOM 789 CG ARG A 49 -10.751 -13.610 0.138 1.00 0.00 C ATOM 790 CD ARG A 49 -10.727 -13.557 -1.395 1.00 0.00 C ATOM 791 NE ARG A 49 -10.967 -14.929 -1.944 1.00 0.00 N ATOM 792 CZ ARG A 49 -10.286 -15.962 -1.515 1.00 0.00 C ATOM 793 NH1 ARG A 49 -9.253 -15.801 -0.734 1.00 0.00 N ATOM 794 NH2 ARG A 49 -10.609 -17.159 -1.920 1.00 0.00 N ATOM 0 H ARG A 49 -10.910 -9.487 1.523 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.376 -11.516 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.271 -12.322 1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.274 -12.089 0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.752 -13.825 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.399 -14.421 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.491 -12.869 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.766 -13.178 -1.742 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.675 -15.062 -2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -8.968 -14.863 -0.452 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.730 -16.613 -0.406 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.388 -17.286 -2.567 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.083 -17.968 -1.590 1.00 0.00 H new ATOM 808 N VAL A 50 -10.431 -10.539 -2.109 1.00 0.00 N ATOM 809 CA VAL A 50 -10.976 -9.827 -3.300 1.00 0.00 C ATOM 810 C VAL A 50 -12.200 -10.576 -3.856 1.00 0.00 C ATOM 811 O VAL A 50 -12.281 -11.786 -3.763 1.00 0.00 O ATOM 812 CB VAL A 50 -9.897 -9.770 -4.384 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.681 -9.025 -3.859 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.470 -11.184 -4.788 1.00 0.00 C ATOM 0 H VAL A 50 -9.638 -11.152 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.275 -8.821 -3.006 1.00 0.00 H new ATOM 0 HB VAL A 50 -10.308 -9.253 -5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.915 -8.987 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.968 -8.011 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.287 -9.543 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.702 -11.126 -5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.071 -11.706 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.332 -11.728 -5.174 1.00 0.00 H new ATOM 824 N PRO A 51 -13.137 -9.873 -4.457 1.00 0.00 N ATOM 825 CA PRO A 51 -14.346 -10.510 -5.058 1.00 0.00 C ATOM 826 C PRO A 51 -13.986 -11.301 -6.324 1.00 0.00 C ATOM 827 O PRO A 51 -13.031 -10.990 -7.009 1.00 0.00 O ATOM 828 CB PRO A 51 -15.259 -9.320 -5.389 1.00 0.00 C ATOM 829 CG PRO A 51 -14.329 -8.169 -5.589 1.00 0.00 C ATOM 830 CD PRO A 51 -13.159 -8.404 -4.629 1.00 0.00 C ATOM 0 HA PRO A 51 -14.818 -11.230 -4.389 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.849 -9.512 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.962 -9.124 -4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.983 -8.121 -6.622 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.826 -7.223 -5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.221 -8.035 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.311 -7.892 -3.679 1.00 0.00 H new ATOM 838 N ALA A 52 -14.737 -12.321 -6.633 1.00 0.00 N ATOM 839 CA ALA A 52 -14.439 -13.139 -7.847 1.00 0.00 C ATOM 840 C ALA A 52 -14.127 -12.232 -9.041 1.00 0.00 C ATOM 841 O ALA A 52 -14.587 -11.111 -9.120 1.00 0.00 O ATOM 842 CB ALA A 52 -15.654 -14.007 -8.180 1.00 0.00 C ATOM 0 H ALA A 52 -15.549 -12.626 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.572 -13.767 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.441 -14.606 -9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.872 -14.666 -7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.516 -13.368 -8.372 1.00 0.00 H new ATOM 848 N GLY A 53 -13.355 -12.722 -9.980 1.00 0.00 N ATOM 849 CA GLY A 53 -13.013 -11.906 -11.188 1.00 0.00 C ATOM 850 C GLY A 53 -11.697 -11.153 -10.967 1.00 0.00 C ATOM 851 O GLY A 53 -10.946 -10.915 -11.892 1.00 0.00 O ATOM 0 H GLY A 53 -12.945 -13.656 -9.962 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.927 -12.554 -12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.815 -11.197 -11.395 1.00 0.00 H new ATOM 855 N LYS A 54 -11.413 -10.767 -9.752 1.00 0.00 N ATOM 856 CA LYS A 54 -10.157 -10.020 -9.470 1.00 0.00 C ATOM 857 C LYS A 54 -9.073 -10.996 -9.007 1.00 0.00 C ATOM 858 O LYS A 54 -9.330 -11.914 -8.255 1.00 0.00 O ATOM 859 CB LYS A 54 -10.439 -9.005 -8.367 1.00 0.00 C ATOM 860 CG LYS A 54 -11.650 -8.137 -8.737 1.00 0.00 C ATOM 861 CD LYS A 54 -11.360 -7.342 -10.017 1.00 0.00 C ATOM 862 CE LYS A 54 -12.370 -6.196 -10.170 1.00 0.00 C ATOM 863 NZ LYS A 54 -13.682 -6.747 -10.610 1.00 0.00 N ATOM 0 H LYS A 54 -12.003 -10.939 -8.938 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.812 -9.510 -10.369 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.628 -9.523 -7.427 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.564 -8.373 -8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.528 -8.767 -8.882 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.880 -7.453 -7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.347 -6.941 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.413 -8.001 -10.883 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.484 -5.668 -9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.006 -5.470 -10.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.367 -5.971 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.566 -7.232 -11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.030 -7.423 -9.901 1.00 0.00 H new ATOM 877 N ARG A 55 -7.862 -10.809 -9.458 1.00 0.00 N ATOM 878 CA ARG A 55 -6.762 -11.731 -9.055 1.00 0.00 C ATOM 879 C ARG A 55 -6.297 -11.378 -7.636 1.00 0.00 C ATOM 880 O ARG A 55 -6.592 -10.319 -7.118 1.00 0.00 O ATOM 881 CB ARG A 55 -5.587 -11.587 -10.062 1.00 0.00 C ATOM 882 CG ARG A 55 -5.228 -12.947 -10.697 1.00 0.00 C ATOM 883 CD ARG A 55 -6.236 -13.302 -11.810 1.00 0.00 C ATOM 884 NE ARG A 55 -6.558 -14.765 -11.754 1.00 0.00 N ATOM 885 CZ ARG A 55 -5.613 -15.666 -11.667 1.00 0.00 C ATOM 886 NH1 ARG A 55 -4.358 -15.325 -11.765 1.00 0.00 N ATOM 887 NH2 ARG A 55 -5.931 -16.924 -11.521 1.00 0.00 N ATOM 0 H ARG A 55 -7.587 -10.056 -10.089 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.114 -12.763 -9.062 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.859 -10.878 -10.844 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.715 -11.179 -9.551 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.220 -12.909 -11.109 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.231 -13.725 -9.933 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.146 -12.715 -11.690 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.820 -13.049 -12.785 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.533 -15.064 -11.784 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.105 -14.348 -11.911 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.630 -16.036 -11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.912 -17.200 -11.475 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.199 -17.631 -11.453 1.00 0.00 H new ATOM 901 N ASP A 56 -5.567 -12.260 -7.010 1.00 0.00 N ATOM 902 CA ASP A 56 -5.075 -11.983 -5.634 1.00 0.00 C ATOM 903 C ASP A 56 -3.933 -10.967 -5.692 1.00 0.00 C ATOM 904 O ASP A 56 -3.329 -10.753 -6.724 1.00 0.00 O ATOM 905 CB ASP A 56 -4.565 -13.278 -5.002 1.00 0.00 C ATOM 906 CG ASP A 56 -5.728 -14.253 -4.819 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.836 -13.788 -4.612 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.491 -15.448 -4.891 1.00 0.00 O ATOM 0 H ASP A 56 -5.290 -13.163 -7.395 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.892 -11.581 -5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.798 -13.726 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.100 -13.066 -4.039 1.00 0.00 H new ATOM 913 N CYS A 57 -3.630 -10.345 -4.588 1.00 0.00 N ATOM 914 CA CYS A 57 -2.526 -9.348 -4.563 1.00 0.00 C ATOM 915 C CYS A 57 -2.099 -9.131 -3.114 1.00 0.00 C ATOM 916 O CYS A 57 -2.825 -9.447 -2.193 1.00 0.00 O ATOM 917 CB CYS A 57 -3.010 -8.023 -5.160 1.00 0.00 C ATOM 918 SG CYS A 57 -1.743 -6.749 -4.927 1.00 0.00 S ATOM 0 H CYS A 57 -4.104 -10.486 -3.696 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.684 -9.713 -5.151 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.223 -8.148 -6.222 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.940 -7.716 -4.682 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.546 -6.560 -3.656 1.00 0.00 H new ATOM 924 N ILE A 58 -0.933 -8.601 -2.896 1.00 0.00 N ATOM 925 CA ILE A 58 -0.483 -8.374 -1.496 1.00 0.00 C ATOM 926 C ILE A 58 -1.082 -7.068 -0.981 1.00 0.00 C ATOM 927 O ILE A 58 -1.114 -6.067 -1.673 1.00 0.00 O ATOM 928 CB ILE A 58 1.041 -8.306 -1.447 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.619 -9.653 -1.889 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.483 -8.008 -0.014 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.106 -9.495 -2.211 1.00 0.00 C ATOM 0 H ILE A 58 -0.274 -8.316 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.818 -9.198 -0.866 1.00 0.00 H new ATOM 0 HB ILE A 58 1.399 -7.520 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.484 -10.394 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.084 -10.019 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.571 -7.958 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.063 -7.054 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.130 -8.799 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.514 -10.456 -2.525 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.229 -8.768 -3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.636 -9.148 -1.324 1.00 0.00 H new ATOM 943 N SER A 59 -1.569 -7.077 0.225 1.00 0.00 N ATOM 944 CA SER A 59 -2.185 -5.855 0.806 1.00 0.00 C ATOM 945 C SER A 59 -1.166 -4.715 0.835 1.00 0.00 C ATOM 946 O SER A 59 -0.015 -4.885 0.481 1.00 0.00 O ATOM 947 CB SER A 59 -2.634 -6.167 2.226 1.00 0.00 C ATOM 948 OG SER A 59 -1.490 -6.370 3.043 1.00 0.00 O ATOM 0 H SER A 59 -1.567 -7.890 0.841 1.00 0.00 H new ATOM 0 HA SER A 59 -3.036 -5.550 0.198 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.235 -5.347 2.619 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.264 -7.056 2.234 1.00 0.00 H new ATOM 0 HG SER A 59 -1.774 -6.570 3.960 1.00 0.00 H new ATOM 954 N LEU A 60 -1.585 -3.550 1.247 1.00 0.00 N ATOM 955 CA LEU A 60 -0.654 -2.394 1.297 1.00 0.00 C ATOM 956 C LEU A 60 0.262 -2.511 2.523 1.00 0.00 C ATOM 957 O LEU A 60 1.468 -2.432 2.412 1.00 0.00 O ATOM 958 CB LEU A 60 -1.469 -1.101 1.397 1.00 0.00 C ATOM 959 CG LEU A 60 -2.120 -0.775 0.044 1.00 0.00 C ATOM 960 CD1 LEU A 60 -2.961 -1.963 -0.439 1.00 0.00 C ATOM 961 CD2 LEU A 60 -3.026 0.452 0.201 1.00 0.00 C ATOM 0 H LEU A 60 -2.538 -3.351 1.552 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.043 -2.383 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.238 -1.206 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.823 -0.279 1.705 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.337 -0.571 -0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.417 -1.720 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.322 -2.839 -0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.742 -2.176 0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.490 0.687 -0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.801 0.240 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.432 1.303 0.534 1.00 0.00 H new ATOM 973 N ARG A 61 -0.305 -2.688 3.694 1.00 0.00 N ATOM 974 CA ARG A 61 0.534 -2.792 4.937 1.00 0.00 C ATOM 975 C ARG A 61 1.759 -3.671 4.671 1.00 0.00 C ATOM 976 O ARG A 61 2.862 -3.348 5.068 1.00 0.00 O ATOM 977 CB ARG A 61 -0.289 -3.430 6.071 1.00 0.00 C ATOM 978 CG ARG A 61 -1.301 -2.427 6.651 1.00 0.00 C ATOM 979 CD ARG A 61 -2.310 -2.021 5.573 1.00 0.00 C ATOM 980 NE ARG A 61 -3.541 -1.395 6.185 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.273 -2.016 7.077 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.050 -3.265 7.374 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.275 -1.392 7.637 1.00 0.00 N ATOM 0 H ARG A 61 -1.311 -2.765 3.845 1.00 0.00 H new ATOM 0 HA ARG A 61 0.853 -1.790 5.225 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.816 -4.306 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.379 -3.775 6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.821 -2.872 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.779 -1.545 7.024 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.845 -1.317 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.596 -2.897 4.990 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.812 -0.456 5.894 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.297 -3.773 6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.628 -3.735 8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.483 -0.427 7.379 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.849 -1.869 8.332 1.00 0.00 H new ATOM 997 N GLU A 62 1.580 -4.782 4.017 1.00 0.00 N ATOM 998 CA GLU A 62 2.743 -5.673 3.750 1.00 0.00 C ATOM 999 C GLU A 62 3.663 -5.050 2.690 1.00 0.00 C ATOM 1000 O GLU A 62 4.869 -5.116 2.799 1.00 0.00 O ATOM 1001 CB GLU A 62 2.241 -7.042 3.277 1.00 0.00 C ATOM 1002 CG GLU A 62 1.646 -7.814 4.461 1.00 0.00 C ATOM 1003 CD GLU A 62 2.756 -8.199 5.444 1.00 0.00 C ATOM 1004 OE1 GLU A 62 3.869 -8.422 4.995 1.00 0.00 O ATOM 1005 OE2 GLU A 62 2.473 -8.265 6.628 1.00 0.00 O ATOM 0 H GLU A 62 0.684 -5.112 3.657 1.00 0.00 H new ATOM 0 HA GLU A 62 3.315 -5.798 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.488 -6.915 2.499 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.062 -7.609 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.898 -7.203 4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.138 -8.710 4.104 1.00 0.00 H new ATOM 1012 N LYS A 63 3.117 -4.442 1.669 1.00 0.00 N ATOM 1013 CA LYS A 63 3.987 -3.825 0.623 1.00 0.00 C ATOM 1014 C LYS A 63 4.789 -2.669 1.228 1.00 0.00 C ATOM 1015 O LYS A 63 5.946 -2.473 0.918 1.00 0.00 O ATOM 1016 CB LYS A 63 3.112 -3.272 -0.512 1.00 0.00 C ATOM 1017 CG LYS A 63 2.687 -4.409 -1.445 1.00 0.00 C ATOM 1018 CD LYS A 63 1.878 -3.847 -2.638 1.00 0.00 C ATOM 1019 CE LYS A 63 2.178 -4.662 -3.899 1.00 0.00 C ATOM 1020 NZ LYS A 63 3.540 -4.312 -4.397 1.00 0.00 N ATOM 0 H LYS A 63 2.113 -4.346 1.514 1.00 0.00 H new ATOM 0 HA LYS A 63 4.667 -4.585 0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.231 -2.782 -0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.663 -2.517 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.567 -4.938 -1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.085 -5.133 -0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.812 -3.884 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.134 -2.800 -2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.121 -5.728 -3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.433 -4.454 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.607 -4.534 -5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.712 -3.296 -4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.252 -4.861 -3.875 1.00 0.00 H new ATOM 1034 N ILE A 64 4.176 -1.887 2.068 1.00 0.00 N ATOM 1035 CA ILE A 64 4.895 -0.728 2.664 1.00 0.00 C ATOM 1036 C ILE A 64 6.157 -1.212 3.391 1.00 0.00 C ATOM 1037 O ILE A 64 7.246 -0.760 3.110 1.00 0.00 O ATOM 1038 CB ILE A 64 3.935 0.015 3.631 1.00 0.00 C ATOM 1039 CG1 ILE A 64 3.058 1.025 2.852 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.722 0.765 4.717 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.927 0.295 2.126 1.00 0.00 C ATOM 0 H ILE A 64 3.208 -1.999 2.369 1.00 0.00 H new ATOM 0 HA ILE A 64 5.209 -0.037 1.882 1.00 0.00 H new ATOM 0 HB ILE A 64 3.298 -0.732 4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.642 1.762 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.670 1.569 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.027 1.277 5.382 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.317 0.055 5.291 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.382 1.496 4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.318 1.017 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.350 -0.424 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.306 -0.229 2.853 1.00 0.00 H new ATOM 1053 N ALA A 65 6.037 -2.117 4.317 1.00 0.00 N ATOM 1054 CA ALA A 65 7.257 -2.587 5.028 1.00 0.00 C ATOM 1055 C ALA A 65 8.238 -3.201 4.028 1.00 0.00 C ATOM 1056 O ALA A 65 9.428 -2.969 4.092 1.00 0.00 O ATOM 1057 CB ALA A 65 6.874 -3.634 6.074 1.00 0.00 C ATOM 0 H ALA A 65 5.160 -2.548 4.611 1.00 0.00 H new ATOM 0 HA ALA A 65 7.730 -1.738 5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.770 -3.975 6.592 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.184 -3.194 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.394 -4.481 5.583 1.00 0.00 H new ATOM 1063 N GLU A 66 7.753 -3.992 3.110 1.00 0.00 N ATOM 1064 CA GLU A 66 8.664 -4.634 2.122 1.00 0.00 C ATOM 1065 C GLU A 66 9.237 -3.588 1.154 1.00 0.00 C ATOM 1066 O GLU A 66 10.416 -3.581 0.871 1.00 0.00 O ATOM 1067 CB GLU A 66 7.883 -5.689 1.331 1.00 0.00 C ATOM 1068 CG GLU A 66 7.549 -6.877 2.239 1.00 0.00 C ATOM 1069 CD GLU A 66 6.496 -7.757 1.561 1.00 0.00 C ATOM 1070 OE1 GLU A 66 6.042 -7.385 0.491 1.00 0.00 O ATOM 1071 OE2 GLU A 66 6.162 -8.789 2.121 1.00 0.00 O ATOM 0 H GLU A 66 6.765 -4.221 3.002 1.00 0.00 H new ATOM 0 HA GLU A 66 9.491 -5.102 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.966 -5.254 0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.471 -6.026 0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.449 -7.458 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.177 -6.521 3.200 1.00 0.00 H new ATOM 1078 N LEU A 67 8.420 -2.706 0.641 1.00 0.00 N ATOM 1079 CA LEU A 67 8.943 -1.675 -0.309 1.00 0.00 C ATOM 1080 C LEU A 67 9.809 -0.660 0.436 1.00 0.00 C ATOM 1081 O LEU A 67 10.849 -0.240 -0.035 1.00 0.00 O ATOM 1082 CB LEU A 67 7.770 -0.914 -0.928 1.00 0.00 C ATOM 1083 CG LEU A 67 7.006 -1.790 -1.932 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.692 -1.090 -2.281 1.00 0.00 C ATOM 1085 CD2 LEU A 67 7.832 -1.982 -3.218 1.00 0.00 C ATOM 0 H LEU A 67 7.420 -2.653 0.836 1.00 0.00 H new ATOM 0 HA LEU A 67 9.531 -2.180 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.092 -0.583 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.138 -0.019 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 67 6.817 -2.768 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.134 -1.697 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.099 -0.957 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.905 -0.116 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.276 -2.605 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.028 -1.011 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.778 -2.466 -2.974 1.00 0.00 H new ATOM 1097 N GLN A 68 9.355 -0.235 1.575 1.00 0.00 N ATOM 1098 CA GLN A 68 10.097 0.790 2.352 1.00 0.00 C ATOM 1099 C GLN A 68 11.364 0.182 2.961 1.00 0.00 C ATOM 1100 O GLN A 68 12.413 0.792 2.968 1.00 0.00 O ATOM 1101 CB GLN A 68 9.171 1.301 3.463 1.00 0.00 C ATOM 1102 CG GLN A 68 9.627 2.680 3.941 1.00 0.00 C ATOM 1103 CD GLN A 68 9.062 2.956 5.336 1.00 0.00 C ATOM 1104 OE1 GLN A 68 9.414 2.292 6.290 1.00 0.00 O ATOM 1105 NE2 GLN A 68 8.192 3.914 5.494 1.00 0.00 N ATOM 0 H GLN A 68 8.490 -0.558 2.008 1.00 0.00 H new ATOM 0 HA GLN A 68 10.398 1.611 1.701 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.146 1.357 3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 68 9.172 0.600 4.298 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.716 2.726 3.964 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.290 3.447 3.244 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.896 4.472 4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.807 4.106 6.419 1.00 0.00 H new