USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=14 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 96:sc= 0.019 USER MOD Set 1.2: A 57 CYS SG : rot -77:sc= 0.78! USER MOD Set 1.3: A 63 LYS NZ :NH3+ -168:sc= 0.842 (180deg=-0.956) USER MOD Set 2.1: A 8 ASN : amide:sc= -0.0343 K(o=-2.3,f=-3.5) USER MOD Set 2.2: A 19 GLN : amide:sc= -2.27! C(o=-2.3!,f=-11!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.024 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 0:sc= -0.335! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -171:sc= -1.27! USER MOD Single : A 32 SER OG : rot -39:sc= 0.0748 USER MOD Single : A 37 GLN : amide:sc= -10.6! C(o=-11!,f=-7!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.193 (180deg=-0.506) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.2) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 -13.305 7.535 5.946 1.00 0.00 N ATOM 63 CA ARG A 6 -13.513 6.060 5.784 1.00 0.00 C ATOM 64 C ARG A 6 -13.688 5.735 4.300 1.00 0.00 C ATOM 65 O ARG A 6 -13.775 6.617 3.469 1.00 0.00 O ATOM 66 CB ARG A 6 -14.776 5.631 6.536 1.00 0.00 C ATOM 67 CG ARG A 6 -14.633 5.944 8.029 1.00 0.00 C ATOM 68 CD ARG A 6 -15.926 5.557 8.762 1.00 0.00 C ATOM 69 NE ARG A 6 -15.991 6.267 10.072 1.00 0.00 N ATOM 70 CZ ARG A 6 -17.120 6.316 10.728 1.00 0.00 C ATOM 71 NH1 ARG A 6 -18.178 5.718 10.252 1.00 0.00 N ATOM 72 NH2 ARG A 6 -17.191 6.957 11.863 1.00 0.00 N ATOM 0 HA ARG A 6 -12.649 5.529 6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.644 6.150 6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.947 4.564 6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.788 5.396 8.447 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.426 7.005 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.792 5.816 8.153 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.958 4.479 8.919 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.157 6.713 10.454 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -18.124 5.212 9.368 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.059 5.756 10.764 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.364 7.421 12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.073 6.994 12.373 1.00 0.00 H new ATOM 86 N ASP A 7 -13.740 4.472 3.961 1.00 0.00 N ATOM 87 CA ASP A 7 -13.912 4.080 2.528 1.00 0.00 C ATOM 88 C ASP A 7 -15.395 3.832 2.238 1.00 0.00 C ATOM 89 O ASP A 7 -16.256 4.124 3.046 1.00 0.00 O ATOM 90 CB ASP A 7 -13.119 2.802 2.248 1.00 0.00 C ATOM 91 CG ASP A 7 -13.715 1.644 3.048 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.447 1.911 3.986 1.00 0.00 O ATOM 93 OD2 ASP A 7 -13.435 0.508 2.703 1.00 0.00 O ATOM 0 H ASP A 7 -13.671 3.693 4.616 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.546 4.883 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.144 2.572 1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.073 2.944 2.519 1.00 0.00 H new ATOM 98 N ASN A 8 -15.698 3.305 1.085 1.00 0.00 N ATOM 99 CA ASN A 8 -17.120 3.045 0.725 1.00 0.00 C ATOM 100 C ASN A 8 -17.708 1.927 1.599 1.00 0.00 C ATOM 101 O ASN A 8 -18.903 1.703 1.601 1.00 0.00 O ATOM 102 CB ASN A 8 -17.192 2.636 -0.745 1.00 0.00 C ATOM 103 CG ASN A 8 -16.855 3.847 -1.619 1.00 0.00 C ATOM 104 OD1 ASN A 8 -17.613 4.794 -1.682 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.741 3.859 -2.299 1.00 0.00 N ATOM 0 H ASN A 8 -15.018 3.042 0.372 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.700 3.953 0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.494 1.823 -0.944 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -18.189 2.266 -0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -15.508 4.663 -2.882 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.103 3.065 -2.247 1.00 0.00 H new ATOM 112 N ARG A 9 -16.884 1.215 2.335 1.00 0.00 N ATOM 113 CA ARG A 9 -17.403 0.106 3.198 1.00 0.00 C ATOM 114 C ARG A 9 -17.438 0.556 4.659 1.00 0.00 C ATOM 115 O ARG A 9 -18.179 0.021 5.460 1.00 0.00 O ATOM 116 CB ARG A 9 -16.465 -1.101 3.092 1.00 0.00 C ATOM 117 CG ARG A 9 -16.488 -1.693 1.663 1.00 0.00 C ATOM 118 CD ARG A 9 -15.349 -1.091 0.830 1.00 0.00 C ATOM 119 NE ARG A 9 -15.626 -1.284 -0.633 1.00 0.00 N ATOM 120 CZ ARG A 9 -15.860 -2.468 -1.135 1.00 0.00 C ATOM 121 NH1 ARG A 9 -15.690 -3.542 -0.414 1.00 0.00 N ATOM 122 NH2 ARG A 9 -16.211 -2.581 -2.387 1.00 0.00 N ATOM 0 H ARG A 9 -15.874 1.355 2.374 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.407 -0.159 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.449 -0.801 3.350 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.764 -1.864 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.384 -2.777 1.707 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.447 -1.484 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -15.247 -0.029 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.404 -1.565 1.095 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.632 -0.472 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.371 -3.463 0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.876 -4.461 -0.816 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.301 -1.748 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.395 -3.502 -2.784 1.00 0.00 H new ATOM 136 N GLY A 10 -16.641 1.533 5.016 1.00 0.00 N ATOM 137 CA GLY A 10 -16.617 2.019 6.434 1.00 0.00 C ATOM 138 C GLY A 10 -15.296 1.605 7.097 1.00 0.00 C ATOM 139 O GLY A 10 -15.182 1.573 8.307 1.00 0.00 O ATOM 0 H GLY A 10 -16.003 2.018 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.724 3.103 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.459 1.602 6.986 1.00 0.00 H new ATOM 143 N ARG A 11 -14.298 1.288 6.316 1.00 0.00 N ATOM 144 CA ARG A 11 -12.985 0.875 6.901 1.00 0.00 C ATOM 145 C ARG A 11 -12.153 2.122 7.220 1.00 0.00 C ATOM 146 O ARG A 11 -11.902 2.943 6.360 1.00 0.00 O ATOM 147 CB ARG A 11 -12.221 0.018 5.883 1.00 0.00 C ATOM 148 CG ARG A 11 -12.934 -1.330 5.671 1.00 0.00 C ATOM 149 CD ARG A 11 -12.555 -1.928 4.297 1.00 0.00 C ATOM 150 NE ARG A 11 -12.471 -3.409 4.407 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.502 -4.152 3.334 1.00 0.00 C ATOM 152 NH1 ARG A 11 -12.596 -3.600 2.156 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.435 -5.451 3.437 1.00 0.00 N ATOM 0 H ARG A 11 -14.334 1.297 5.297 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.160 0.303 7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.146 0.550 4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.203 -0.153 6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.658 -2.024 6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -14.014 -1.191 5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.298 -1.650 3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.600 -1.523 3.963 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.389 -3.846 5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.646 -2.585 2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.620 -4.184 1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.358 -5.886 4.356 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.459 -6.031 2.598 1.00 0.00 H new ATOM 167 N ILE A 12 -11.714 2.270 8.444 1.00 0.00 N ATOM 168 CA ILE A 12 -10.894 3.466 8.793 1.00 0.00 C ATOM 169 C ILE A 12 -9.482 3.278 8.232 1.00 0.00 C ATOM 170 O ILE A 12 -8.667 2.571 8.791 1.00 0.00 O ATOM 171 CB ILE A 12 -10.843 3.640 10.331 1.00 0.00 C ATOM 172 CG1 ILE A 12 -12.133 4.342 10.818 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.607 4.461 10.754 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.039 5.873 10.645 1.00 0.00 C ATOM 0 H ILE A 12 -11.887 1.619 9.210 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.341 4.361 8.360 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.769 2.653 10.788 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.989 3.963 10.259 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.306 4.103 11.867 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.595 4.568 11.839 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.701 3.948 10.430 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.650 5.447 10.292 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.961 6.336 10.996 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.198 6.254 11.224 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.892 6.112 9.592 1.00 0.00 H new ATOM 186 N LEU A 13 -9.188 3.916 7.132 1.00 0.00 N ATOM 187 CA LEU A 13 -7.828 3.798 6.527 1.00 0.00 C ATOM 188 C LEU A 13 -6.976 4.980 7.011 1.00 0.00 C ATOM 189 O LEU A 13 -7.488 6.040 7.313 1.00 0.00 O ATOM 190 CB LEU A 13 -7.943 3.796 4.992 1.00 0.00 C ATOM 191 CG LEU A 13 -9.171 4.594 4.536 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.078 6.047 5.028 1.00 0.00 C ATOM 193 CD2 LEU A 13 -9.225 4.570 3.006 1.00 0.00 C ATOM 0 H LEU A 13 -9.835 4.518 6.622 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.354 2.865 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.042 4.226 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.015 2.771 4.630 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.073 4.147 4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.957 6.600 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.031 6.060 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.181 6.513 4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.093 5.133 2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.318 5.021 2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.302 3.539 2.661 1.00 0.00 H new ATOM 205 N LYS A 14 -5.684 4.808 7.115 1.00 0.00 N ATOM 206 CA LYS A 14 -4.823 5.927 7.610 1.00 0.00 C ATOM 207 C LYS A 14 -4.384 6.840 6.469 1.00 0.00 C ATOM 208 O LYS A 14 -4.835 6.738 5.346 1.00 0.00 O ATOM 209 CB LYS A 14 -3.571 5.377 8.285 1.00 0.00 C ATOM 210 CG LYS A 14 -3.965 4.573 9.525 1.00 0.00 C ATOM 211 CD LYS A 14 -2.706 4.172 10.310 1.00 0.00 C ATOM 212 CE LYS A 14 -3.085 3.858 11.757 1.00 0.00 C ATOM 213 NZ LYS A 14 -1.920 3.251 12.462 1.00 0.00 N ATOM 0 H LYS A 14 -5.189 3.948 6.881 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.420 6.498 8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.019 4.744 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.908 6.195 8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.626 5.165 10.158 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.520 3.682 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.239 3.302 9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.974 4.980 10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.396 4.769 12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.933 3.174 11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.182 3.039 13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.642 2.372 11.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.122 3.918 12.452 1.00 0.00 H new ATOM 227 N THR A 15 -3.498 7.742 6.785 1.00 0.00 N ATOM 228 CA THR A 15 -2.979 8.712 5.778 1.00 0.00 C ATOM 229 C THR A 15 -2.428 7.988 4.545 1.00 0.00 C ATOM 230 O THR A 15 -1.923 6.885 4.629 1.00 0.00 O ATOM 231 CB THR A 15 -1.861 9.537 6.420 1.00 0.00 C ATOM 232 OG1 THR A 15 -0.847 8.663 6.896 1.00 0.00 O ATOM 233 CG2 THR A 15 -2.426 10.348 7.587 1.00 0.00 C ATOM 0 H THR A 15 -3.103 7.851 7.719 1.00 0.00 H new ATOM 0 HA THR A 15 -3.798 9.356 5.458 1.00 0.00 H new ATOM 0 HB THR A 15 -1.440 10.217 5.680 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.129 9.188 7.306 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.628 10.935 8.042 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.205 11.017 7.222 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.848 9.671 8.330 1.00 0.00 H new ATOM 241 N GLY A 16 -2.507 8.622 3.402 1.00 0.00 N ATOM 242 CA GLY A 16 -1.971 8.010 2.150 1.00 0.00 C ATOM 243 C GLY A 16 -2.941 6.959 1.616 1.00 0.00 C ATOM 244 O GLY A 16 -3.225 6.908 0.434 1.00 0.00 O ATOM 0 H GLY A 16 -2.924 9.545 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.812 8.783 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.001 7.553 2.347 1.00 0.00 H new ATOM 248 N GLU A 17 -3.448 6.116 2.467 1.00 0.00 N ATOM 249 CA GLU A 17 -4.389 5.070 1.995 1.00 0.00 C ATOM 250 C GLU A 17 -5.709 5.723 1.564 1.00 0.00 C ATOM 251 O GLU A 17 -6.271 6.535 2.270 1.00 0.00 O ATOM 252 CB GLU A 17 -4.647 4.074 3.137 1.00 0.00 C ATOM 253 CG GLU A 17 -3.400 3.187 3.402 1.00 0.00 C ATOM 254 CD GLU A 17 -2.593 3.740 4.587 1.00 0.00 C ATOM 255 OE1 GLU A 17 -2.878 3.346 5.705 1.00 0.00 O ATOM 256 OE2 GLU A 17 -1.708 4.543 4.354 1.00 0.00 O ATOM 0 H GLU A 17 -3.251 6.107 3.468 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.959 4.543 1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.909 4.618 4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.499 3.442 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.711 2.164 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.773 3.153 2.511 1.00 0.00 H new ATOM 263 N SER A 18 -6.206 5.370 0.405 1.00 0.00 N ATOM 264 CA SER A 18 -7.490 5.963 -0.085 1.00 0.00 C ATOM 265 C SER A 18 -8.167 4.963 -1.027 1.00 0.00 C ATOM 266 O SER A 18 -7.515 4.147 -1.645 1.00 0.00 O ATOM 267 CB SER A 18 -7.200 7.267 -0.836 1.00 0.00 C ATOM 268 OG SER A 18 -6.643 8.214 0.068 1.00 0.00 O ATOM 0 H SER A 18 -5.776 4.694 -0.226 1.00 0.00 H new ATOM 0 HA SER A 18 -8.146 6.178 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.509 7.081 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.118 7.660 -1.274 1.00 0.00 H new ATOM 0 HG SER A 18 -6.454 9.049 -0.408 1.00 0.00 H new ATOM 274 N GLN A 19 -9.473 5.001 -1.128 1.00 0.00 N ATOM 275 CA GLN A 19 -10.187 4.029 -2.015 1.00 0.00 C ATOM 276 C GLN A 19 -10.461 4.654 -3.383 1.00 0.00 C ATOM 277 O GLN A 19 -10.785 5.820 -3.502 1.00 0.00 O ATOM 278 CB GLN A 19 -11.512 3.629 -1.366 1.00 0.00 C ATOM 279 CG GLN A 19 -12.201 2.559 -2.220 1.00 0.00 C ATOM 280 CD GLN A 19 -13.266 1.841 -1.387 1.00 0.00 C ATOM 281 OE1 GLN A 19 -14.205 2.454 -0.922 1.00 0.00 O ATOM 282 NE2 GLN A 19 -13.154 0.558 -1.175 1.00 0.00 N ATOM 0 H GLN A 19 -10.075 5.661 -0.636 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.558 3.149 -2.150 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.335 3.248 -0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.158 4.501 -1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.659 3.018 -3.096 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.466 1.842 -2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.365 0.043 -1.566 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.856 0.070 -0.618 1.00 0.00 H new ATOM 291 N ARG A 20 -10.332 3.869 -4.417 1.00 0.00 N ATOM 292 CA ARG A 20 -10.578 4.375 -5.796 1.00 0.00 C ATOM 293 C ARG A 20 -12.066 4.216 -6.139 1.00 0.00 C ATOM 294 O ARG A 20 -12.780 3.461 -5.509 1.00 0.00 O ATOM 295 CB ARG A 20 -9.728 3.552 -6.780 1.00 0.00 C ATOM 296 CG ARG A 20 -9.458 4.355 -8.078 1.00 0.00 C ATOM 297 CD ARG A 20 -8.067 4.993 -8.019 1.00 0.00 C ATOM 298 NE ARG A 20 -7.836 5.781 -9.259 1.00 0.00 N ATOM 299 CZ ARG A 20 -6.804 6.569 -9.345 1.00 0.00 C ATOM 300 NH1 ARG A 20 -5.937 6.612 -8.369 1.00 0.00 N ATOM 301 NH2 ARG A 20 -6.629 7.298 -10.412 1.00 0.00 N ATOM 0 H ARG A 20 -10.063 2.886 -4.364 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.307 5.429 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.782 3.280 -6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.242 2.622 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.529 3.697 -8.944 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.217 5.128 -8.202 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.987 5.638 -7.144 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.304 4.221 -7.917 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.486 5.704 -10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.070 6.029 -7.543 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.127 7.229 -8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.301 7.250 -11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.820 7.916 -10.480 1.00 0.00 H new ATOM 315 N LYS A 21 -12.534 4.899 -7.149 1.00 0.00 N ATOM 316 CA LYS A 21 -13.965 4.757 -7.539 1.00 0.00 C ATOM 317 C LYS A 21 -14.211 3.311 -7.970 1.00 0.00 C ATOM 318 O LYS A 21 -15.331 2.838 -7.994 1.00 0.00 O ATOM 319 CB LYS A 21 -14.279 5.711 -8.703 1.00 0.00 C ATOM 320 CG LYS A 21 -15.749 5.534 -9.175 1.00 0.00 C ATOM 321 CD LYS A 21 -15.807 4.660 -10.444 1.00 0.00 C ATOM 322 CE LYS A 21 -15.518 5.516 -11.685 1.00 0.00 C ATOM 323 NZ LYS A 21 -15.527 4.654 -12.900 1.00 0.00 N ATOM 0 H LYS A 21 -11.989 5.547 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.610 5.006 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.114 6.742 -8.390 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.599 5.517 -9.533 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.339 5.074 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.192 6.509 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.079 3.852 -10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.790 4.197 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.267 6.302 -11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.551 6.008 -11.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.331 5.236 -13.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.797 3.919 -12.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.460 4.205 -13.000 1.00 0.00 H new ATOM 337 N ASP A 22 -13.165 2.605 -8.311 1.00 0.00 N ATOM 338 CA ASP A 22 -13.321 1.186 -8.744 1.00 0.00 C ATOM 339 C ASP A 22 -13.300 0.260 -7.519 1.00 0.00 C ATOM 340 O ASP A 22 -13.674 -0.893 -7.601 1.00 0.00 O ATOM 341 CB ASP A 22 -12.171 0.823 -9.683 1.00 0.00 C ATOM 342 CG ASP A 22 -12.399 1.487 -11.043 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.100 0.904 -11.852 1.00 0.00 O ATOM 344 OD2 ASP A 22 -11.872 2.567 -11.249 1.00 0.00 O ATOM 0 H ASP A 22 -12.206 2.952 -8.308 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.273 1.065 -9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.222 1.153 -9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.109 -0.259 -9.800 1.00 0.00 H new ATOM 349 N GLY A 23 -12.889 0.764 -6.377 1.00 0.00 N ATOM 350 CA GLY A 23 -12.869 -0.071 -5.131 1.00 0.00 C ATOM 351 C GLY A 23 -11.435 -0.462 -4.752 1.00 0.00 C ATOM 352 O GLY A 23 -11.140 -0.699 -3.597 1.00 0.00 O ATOM 0 H GLY A 23 -12.565 1.723 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.327 0.482 -4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.467 -0.970 -5.282 1.00 0.00 H new ATOM 356 N ARG A 24 -10.539 -0.540 -5.698 1.00 0.00 N ATOM 357 CA ARG A 24 -9.138 -0.927 -5.353 1.00 0.00 C ATOM 358 C ARG A 24 -8.523 0.103 -4.405 1.00 0.00 C ATOM 359 O ARG A 24 -8.649 1.297 -4.597 1.00 0.00 O ATOM 360 CB ARG A 24 -8.285 -1.019 -6.628 1.00 0.00 C ATOM 361 CG ARG A 24 -8.546 0.192 -7.527 1.00 0.00 C ATOM 362 CD ARG A 24 -7.470 0.271 -8.633 1.00 0.00 C ATOM 363 NE ARG A 24 -8.054 0.865 -9.885 1.00 0.00 N ATOM 364 CZ ARG A 24 -9.073 0.318 -10.496 1.00 0.00 C ATOM 365 NH1 ARG A 24 -9.554 -0.824 -10.085 1.00 0.00 N ATOM 366 NH2 ARG A 24 -9.589 0.901 -11.545 1.00 0.00 N ATOM 0 H ARG A 24 -10.712 -0.355 -6.686 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.160 -1.900 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.228 -1.065 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.520 -1.938 -7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.536 0.115 -7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.536 1.106 -6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.631 0.877 -8.291 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.079 -0.725 -8.842 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.645 1.717 -10.268 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.135 -1.295 -9.283 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.349 -1.245 -10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.197 1.779 -11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.384 0.478 -12.024 1.00 0.00 H new ATOM 380 N TYR A 25 -7.844 -0.353 -3.385 1.00 0.00 N ATOM 381 CA TYR A 25 -7.203 0.591 -2.436 1.00 0.00 C ATOM 382 C TYR A 25 -5.889 1.074 -3.047 1.00 0.00 C ATOM 383 O TYR A 25 -5.419 0.535 -4.030 1.00 0.00 O ATOM 384 CB TYR A 25 -6.916 -0.119 -1.110 1.00 0.00 C ATOM 385 CG TYR A 25 -8.216 -0.470 -0.418 1.00 0.00 C ATOM 386 CD1 TYR A 25 -9.002 0.546 0.140 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.632 -1.806 -0.324 1.00 0.00 C ATOM 388 CE1 TYR A 25 -10.201 0.230 0.789 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.833 -2.122 0.329 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.617 -1.103 0.883 1.00 0.00 C ATOM 391 OH TYR A 25 -11.797 -1.412 1.529 1.00 0.00 O ATOM 0 H TYR A 25 -7.708 -1.341 -3.172 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.867 1.435 -2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.335 -1.023 -1.291 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.314 0.523 -0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.682 1.575 0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.028 -2.591 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.806 1.015 1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.153 -3.151 0.404 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.214 -0.589 1.860 1.00 0.00 H new ATOM 401 N LEU A 26 -5.287 2.082 -2.482 1.00 0.00 N ATOM 402 CA LEU A 26 -4.002 2.586 -3.044 1.00 0.00 C ATOM 403 C LEU A 26 -3.271 3.419 -1.975 1.00 0.00 C ATOM 404 O LEU A 26 -3.880 4.050 -1.134 1.00 0.00 O ATOM 405 CB LEU A 26 -4.312 3.380 -4.352 1.00 0.00 C ATOM 406 CG LEU A 26 -3.971 4.891 -4.270 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.758 5.584 -3.128 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.439 5.101 -4.115 1.00 0.00 C ATOM 0 H LEU A 26 -5.627 2.578 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.330 1.770 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.752 2.936 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.370 3.269 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.279 5.359 -5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.497 6.642 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.828 5.479 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.503 5.119 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.222 6.168 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.095 4.613 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.924 4.670 -4.974 1.00 0.00 H new ATOM 420 N TYR A 27 -1.962 3.390 -1.988 1.00 0.00 N ATOM 421 CA TYR A 27 -1.158 4.147 -0.975 1.00 0.00 C ATOM 422 C TYR A 27 0.053 4.798 -1.657 1.00 0.00 C ATOM 423 O TYR A 27 0.370 4.501 -2.792 1.00 0.00 O ATOM 424 CB TYR A 27 -0.688 3.167 0.101 1.00 0.00 C ATOM 425 CG TYR A 27 0.228 3.858 1.088 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.296 4.738 2.045 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.602 3.598 1.058 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.558 5.354 2.972 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.453 4.215 1.981 1.00 0.00 C ATOM 430 CZ TYR A 27 1.931 5.090 2.938 1.00 0.00 C ATOM 431 OH TYR A 27 2.772 5.695 3.847 1.00 0.00 O ATOM 0 H TYR A 27 -1.407 2.867 -2.666 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.766 4.931 -0.522 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.550 2.753 0.625 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.166 2.331 -0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.356 4.942 2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.006 2.920 0.321 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.156 6.031 3.711 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.514 4.015 1.954 1.00 0.00 H new ATOM 0 HH TYR A 27 3.693 5.402 3.685 1.00 0.00 H new ATOM 441 N LYS A 28 0.726 5.690 -0.970 1.00 0.00 N ATOM 442 CA LYS A 28 1.920 6.383 -1.560 1.00 0.00 C ATOM 443 C LYS A 28 3.117 6.235 -0.611 1.00 0.00 C ATOM 444 O LYS A 28 2.991 6.356 0.590 1.00 0.00 O ATOM 445 CB LYS A 28 1.586 7.871 -1.737 1.00 0.00 C ATOM 446 CG LYS A 28 2.740 8.610 -2.443 1.00 0.00 C ATOM 447 CD LYS A 28 2.666 10.103 -2.107 1.00 0.00 C ATOM 448 CE LYS A 28 3.779 10.858 -2.833 1.00 0.00 C ATOM 449 NZ LYS A 28 3.830 12.262 -2.331 1.00 0.00 N ATOM 0 H LYS A 28 0.498 5.971 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 28 2.171 5.941 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.671 7.976 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.399 8.325 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.698 8.201 -2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.675 8.464 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.694 10.502 -2.399 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.760 10.247 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.737 10.365 -2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.599 10.850 -3.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.586 12.779 -2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.918 12.728 -2.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.021 12.258 -1.309 1.00 0.00 H new ATOM 463 N TYR A 29 4.286 5.990 -1.154 1.00 0.00 N ATOM 464 CA TYR A 29 5.511 5.850 -0.306 1.00 0.00 C ATOM 465 C TYR A 29 6.663 6.577 -1.002 1.00 0.00 C ATOM 466 O TYR A 29 6.533 7.014 -2.129 1.00 0.00 O ATOM 467 CB TYR A 29 5.862 4.367 -0.110 1.00 0.00 C ATOM 468 CG TYR A 29 6.412 3.773 -1.386 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.552 3.478 -2.450 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.782 3.502 -1.497 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.061 2.915 -3.627 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.292 2.938 -2.671 1.00 0.00 C ATOM 473 CZ TYR A 29 7.431 2.644 -3.737 1.00 0.00 C ATOM 474 OH TYR A 29 7.934 2.088 -4.897 1.00 0.00 O ATOM 0 H TYR A 29 4.444 5.880 -2.156 1.00 0.00 H new ATOM 0 HA TYR A 29 5.332 6.286 0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.595 4.265 0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.974 3.816 0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.495 3.685 -2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.445 3.729 -0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.398 2.690 -4.449 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.348 2.729 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 29 8.870 1.833 -4.758 1.00 0.00 H new ATOM 484 N ILE A 30 7.778 6.732 -0.335 1.00 0.00 N ATOM 485 CA ILE A 30 8.936 7.456 -0.949 1.00 0.00 C ATOM 486 C ILE A 30 10.051 6.469 -1.292 1.00 0.00 C ATOM 487 O ILE A 30 10.384 5.597 -0.512 1.00 0.00 O ATOM 488 CB ILE A 30 9.458 8.481 0.057 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.297 9.366 0.543 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.533 9.346 -0.601 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.553 9.981 -0.650 1.00 0.00 C ATOM 0 H ILE A 30 7.938 6.388 0.612 1.00 0.00 H new ATOM 0 HA ILE A 30 8.613 7.953 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 30 9.892 7.961 0.911 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.607 8.773 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.680 10.157 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.903 10.076 0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.356 8.713 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.107 9.866 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.735 10.604 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.242 10.591 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.152 9.185 -1.278 1.00 0.00 H new ATOM 503 N ASP A 31 10.643 6.605 -2.449 1.00 0.00 N ATOM 504 CA ASP A 31 11.744 5.681 -2.829 1.00 0.00 C ATOM 505 C ASP A 31 13.020 6.122 -2.115 1.00 0.00 C ATOM 506 O ASP A 31 13.129 7.238 -1.649 1.00 0.00 O ATOM 507 CB ASP A 31 11.979 5.739 -4.341 1.00 0.00 C ATOM 508 CG ASP A 31 10.739 5.234 -5.081 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.788 4.856 -4.419 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.762 5.238 -6.301 1.00 0.00 O ATOM 0 H ASP A 31 10.411 7.315 -3.144 1.00 0.00 H new ATOM 0 HA ASP A 31 11.477 4.663 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.202 6.762 -4.644 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.844 5.132 -4.607 1.00 0.00 H new ATOM 515 N SER A 32 13.985 5.260 -2.024 1.00 0.00 N ATOM 516 CA SER A 32 15.251 5.636 -1.342 1.00 0.00 C ATOM 517 C SER A 32 15.878 6.831 -2.062 1.00 0.00 C ATOM 518 O SER A 32 16.904 7.340 -1.658 1.00 0.00 O ATOM 519 CB SER A 32 16.210 4.452 -1.377 1.00 0.00 C ATOM 520 OG SER A 32 17.230 4.646 -0.407 1.00 0.00 O ATOM 0 H SER A 32 13.954 4.309 -2.392 1.00 0.00 H new ATOM 0 HA SER A 32 15.047 5.906 -0.306 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.671 3.526 -1.175 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.650 4.354 -2.370 1.00 0.00 H new ATOM 0 HG SER A 32 17.493 5.590 -0.393 1.00 0.00 H new ATOM 526 N PHE A 33 15.272 7.274 -3.138 1.00 0.00 N ATOM 527 CA PHE A 33 15.834 8.429 -3.905 1.00 0.00 C ATOM 528 C PHE A 33 15.047 9.702 -3.557 1.00 0.00 C ATOM 529 O PHE A 33 15.518 10.803 -3.756 1.00 0.00 O ATOM 530 CB PHE A 33 15.730 8.123 -5.407 1.00 0.00 C ATOM 531 CG PHE A 33 15.944 6.640 -5.628 1.00 0.00 C ATOM 532 CD1 PHE A 33 17.181 6.059 -5.320 1.00 0.00 C ATOM 533 CD2 PHE A 33 14.905 5.841 -6.129 1.00 0.00 C ATOM 534 CE1 PHE A 33 17.381 4.686 -5.515 1.00 0.00 C ATOM 535 CE2 PHE A 33 15.105 4.467 -6.323 1.00 0.00 C ATOM 536 CZ PHE A 33 16.343 3.891 -6.015 1.00 0.00 C ATOM 0 H PHE A 33 14.410 6.884 -3.518 1.00 0.00 H new ATOM 0 HA PHE A 33 16.881 8.585 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.752 8.422 -5.785 1.00 0.00 H new ATOM 0 HB3 PHE A 33 16.474 8.697 -5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 33 17.982 6.671 -4.932 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.949 6.285 -6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 33 18.336 4.241 -5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.305 3.854 -6.710 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.497 2.832 -6.163 1.00 0.00 H new ATOM 546 N GLY A 34 13.862 9.557 -3.007 1.00 0.00 N ATOM 547 CA GLY A 34 13.054 10.757 -2.607 1.00 0.00 C ATOM 548 C GLY A 34 11.946 11.045 -3.626 1.00 0.00 C ATOM 549 O GLY A 34 11.218 12.008 -3.497 1.00 0.00 O ATOM 0 H GLY A 34 13.419 8.658 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.613 10.590 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.707 11.626 -2.521 1.00 0.00 H new ATOM 553 N GLU A 35 11.807 10.234 -4.638 1.00 0.00 N ATOM 554 CA GLU A 35 10.739 10.493 -5.655 1.00 0.00 C ATOM 555 C GLU A 35 9.405 9.861 -5.200 1.00 0.00 C ATOM 556 O GLU A 35 9.400 8.840 -4.541 1.00 0.00 O ATOM 557 CB GLU A 35 11.171 9.886 -6.987 1.00 0.00 C ATOM 558 CG GLU A 35 11.610 8.441 -6.767 1.00 0.00 C ATOM 559 CD GLU A 35 11.777 7.745 -8.118 1.00 0.00 C ATOM 560 OE1 GLU A 35 12.680 8.119 -8.846 1.00 0.00 O ATOM 561 OE2 GLU A 35 10.997 6.851 -8.401 1.00 0.00 O ATOM 0 H GLU A 35 12.380 9.408 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 35 10.593 11.568 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.347 9.923 -7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.989 10.465 -7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.549 8.416 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.871 7.914 -6.164 1.00 0.00 H new ATOM 568 N PRO A 36 8.277 10.455 -5.548 1.00 0.00 N ATOM 569 CA PRO A 36 6.923 9.929 -5.161 1.00 0.00 C ATOM 570 C PRO A 36 6.476 8.724 -6.007 1.00 0.00 C ATOM 571 O PRO A 36 6.470 8.775 -7.222 1.00 0.00 O ATOM 572 CB PRO A 36 6.002 11.125 -5.423 1.00 0.00 C ATOM 573 CG PRO A 36 6.644 11.837 -6.561 1.00 0.00 C ATOM 574 CD PRO A 36 8.153 11.698 -6.342 1.00 0.00 C ATOM 0 HA PRO A 36 6.913 9.564 -4.134 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.992 10.802 -5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.923 11.767 -4.545 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.345 11.400 -7.514 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.347 12.886 -6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.690 11.625 -7.288 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.561 12.557 -5.809 1.00 0.00 H new ATOM 582 N GLN A 37 6.075 7.653 -5.367 1.00 0.00 N ATOM 583 CA GLN A 37 5.595 6.438 -6.106 1.00 0.00 C ATOM 584 C GLN A 37 4.263 6.003 -5.482 1.00 0.00 C ATOM 585 O GLN A 37 3.924 6.419 -4.392 1.00 0.00 O ATOM 586 CB GLN A 37 6.646 5.308 -5.980 1.00 0.00 C ATOM 587 CG GLN A 37 7.558 5.275 -7.216 1.00 0.00 C ATOM 588 CD GLN A 37 8.015 6.691 -7.564 1.00 0.00 C ATOM 589 OE1 GLN A 37 7.788 7.166 -8.660 1.00 0.00 O ATOM 590 NE2 GLN A 37 8.639 7.391 -6.666 1.00 0.00 N ATOM 0 H GLN A 37 6.059 7.566 -4.351 1.00 0.00 H new ATOM 0 HA GLN A 37 5.454 6.658 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.246 5.461 -5.083 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.143 4.348 -5.867 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.424 4.641 -7.023 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.025 4.838 -8.060 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.828 6.990 -5.747 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.940 8.342 -6.879 1.00 0.00 H new ATOM 599 N PHE A 38 3.503 5.179 -6.163 1.00 0.00 N ATOM 600 CA PHE A 38 2.185 4.727 -5.609 1.00 0.00 C ATOM 601 C PHE A 38 2.063 3.211 -5.731 1.00 0.00 C ATOM 602 O PHE A 38 2.693 2.590 -6.563 1.00 0.00 O ATOM 603 CB PHE A 38 1.049 5.382 -6.394 1.00 0.00 C ATOM 604 CG PHE A 38 1.148 6.882 -6.276 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.897 7.607 -7.212 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.492 7.548 -5.236 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.989 8.999 -7.104 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.584 8.940 -5.128 1.00 0.00 C ATOM 609 CZ PHE A 38 1.332 9.666 -6.061 1.00 0.00 C ATOM 0 H PHE A 38 3.738 4.799 -7.080 1.00 0.00 H new ATOM 0 HA PHE A 38 2.124 5.014 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.100 5.086 -7.442 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.087 5.040 -6.013 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.403 7.092 -8.016 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.086 6.988 -4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.566 9.560 -7.824 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.078 9.454 -4.324 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.403 10.740 -5.978 1.00 0.00 H new ATOM 619 N VAL A 39 1.244 2.616 -4.902 1.00 0.00 N ATOM 620 CA VAL A 39 1.041 1.137 -4.938 1.00 0.00 C ATOM 621 C VAL A 39 -0.463 0.862 -5.036 1.00 0.00 C ATOM 622 O VAL A 39 -1.268 1.602 -4.507 1.00 0.00 O ATOM 623 CB VAL A 39 1.600 0.511 -3.644 1.00 0.00 C ATOM 624 CG1 VAL A 39 3.073 0.131 -3.831 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.482 1.518 -2.496 1.00 0.00 C ATOM 0 H VAL A 39 0.698 3.101 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 39 1.558 0.703 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 39 1.026 -0.386 -3.411 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.455 -0.310 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.162 -0.591 -4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.651 1.023 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.877 1.075 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.050 2.416 -2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.434 1.781 -2.349 1.00 0.00 H new ATOM 635 N TYR A 40 -0.842 -0.196 -5.710 1.00 0.00 N ATOM 636 CA TYR A 40 -2.293 -0.535 -5.853 1.00 0.00 C ATOM 637 C TYR A 40 -2.536 -1.963 -5.386 1.00 0.00 C ATOM 638 O TYR A 40 -1.673 -2.815 -5.457 1.00 0.00 O ATOM 639 CB TYR A 40 -2.696 -0.420 -7.320 1.00 0.00 C ATOM 640 CG TYR A 40 -2.686 1.031 -7.720 1.00 0.00 C ATOM 641 CD1 TYR A 40 -3.835 1.805 -7.544 1.00 0.00 C ATOM 642 CD2 TYR A 40 -1.530 1.602 -8.258 1.00 0.00 C ATOM 643 CE1 TYR A 40 -3.833 3.152 -7.907 1.00 0.00 C ATOM 644 CE2 TYR A 40 -1.524 2.952 -8.623 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.674 3.728 -8.449 1.00 0.00 C ATOM 646 OH TYR A 40 -2.665 5.059 -8.811 1.00 0.00 O ATOM 0 H TYR A 40 -0.204 -0.844 -6.171 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.883 0.153 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.007 -0.987 -7.945 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.688 -0.845 -7.472 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.726 1.360 -7.126 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.642 1.002 -8.392 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.722 3.750 -7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.631 3.395 -9.039 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.783 5.295 -9.168 1.00 0.00 H new ATOM 656 N SER A 41 -3.716 -2.225 -4.911 1.00 0.00 N ATOM 657 CA SER A 41 -4.051 -3.589 -4.434 1.00 0.00 C ATOM 658 C SER A 41 -5.542 -3.637 -4.121 1.00 0.00 C ATOM 659 O SER A 41 -6.117 -2.670 -3.663 1.00 0.00 O ATOM 660 CB SER A 41 -3.247 -3.895 -3.170 1.00 0.00 C ATOM 661 OG SER A 41 -3.644 -5.156 -2.650 1.00 0.00 O ATOM 0 H SER A 41 -4.471 -1.544 -4.832 1.00 0.00 H new ATOM 0 HA SER A 41 -3.808 -4.328 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.181 -3.903 -3.397 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.409 -3.115 -2.426 1.00 0.00 H new ATOM 0 HG SER A 41 -3.031 -5.850 -2.971 1.00 0.00 H new ATOM 667 N TRP A 42 -6.180 -4.748 -4.352 1.00 0.00 N ATOM 668 CA TRP A 42 -7.633 -4.841 -4.052 1.00 0.00 C ATOM 669 C TRP A 42 -7.795 -5.273 -2.595 1.00 0.00 C ATOM 670 O TRP A 42 -8.803 -5.831 -2.209 1.00 0.00 O ATOM 671 CB TRP A 42 -8.282 -5.876 -4.976 1.00 0.00 C ATOM 672 CG TRP A 42 -8.472 -5.299 -6.337 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.603 -5.423 -7.362 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.594 -4.519 -6.840 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.117 -4.762 -8.460 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.342 -4.189 -8.190 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.792 -4.066 -6.258 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.247 -3.439 -8.942 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.706 -3.311 -7.011 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.434 -2.999 -8.350 1.00 0.00 C ATOM 0 H TRP A 42 -5.759 -5.594 -4.735 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.115 -3.877 -4.212 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.656 -6.766 -5.034 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.243 -6.188 -4.567 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.662 -5.952 -7.329 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.647 -4.704 -9.363 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.010 -4.300 -5.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.032 -3.200 -9.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.624 -2.969 -6.556 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.141 -2.419 -8.924 1.00 0.00 H new ATOM 691 N LYS A 43 -6.796 -5.019 -1.783 1.00 0.00 N ATOM 692 CA LYS A 43 -6.866 -5.412 -0.342 1.00 0.00 C ATOM 693 C LYS A 43 -6.324 -4.294 0.545 1.00 0.00 C ATOM 694 O LYS A 43 -5.285 -3.718 0.279 1.00 0.00 O ATOM 695 CB LYS A 43 -5.979 -6.627 -0.100 1.00 0.00 C ATOM 696 CG LYS A 43 -6.453 -7.821 -0.917 1.00 0.00 C ATOM 697 CD LYS A 43 -5.604 -9.037 -0.521 1.00 0.00 C ATOM 698 CE LYS A 43 -5.812 -10.193 -1.502 1.00 0.00 C ATOM 699 NZ LYS A 43 -7.036 -10.954 -1.115 1.00 0.00 N ATOM 0 H LYS A 43 -5.931 -4.554 -2.060 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.909 -5.622 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.949 -6.388 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.986 -6.881 0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.509 -8.016 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.352 -7.617 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.550 -8.758 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.869 -9.358 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.914 -9.810 -2.517 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.943 -10.851 -1.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.306 -11.594 -1.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.843 -11.510 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.814 -10.289 -0.928 1.00 0.00 H new ATOM 713 N LEU A 44 -6.988 -4.026 1.634 1.00 0.00 N ATOM 714 CA LEU A 44 -6.490 -3.000 2.590 1.00 0.00 C ATOM 715 C LEU A 44 -5.696 -3.751 3.660 1.00 0.00 C ATOM 716 O LEU A 44 -4.630 -3.344 4.075 1.00 0.00 O ATOM 717 CB LEU A 44 -7.681 -2.273 3.227 1.00 0.00 C ATOM 718 CG LEU A 44 -7.190 -1.250 4.262 1.00 0.00 C ATOM 719 CD1 LEU A 44 -6.436 -0.106 3.564 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.403 -0.687 5.014 1.00 0.00 C ATOM 0 H LEU A 44 -7.862 -4.478 1.904 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.867 -2.257 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.263 -1.769 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.343 -2.995 3.705 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.510 -1.738 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.094 0.612 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.577 -0.510 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.102 0.392 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.067 0.041 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.077 -0.203 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.928 -1.499 5.518 1.00 0.00 H new ATOM 732 N VAL A 45 -6.228 -4.867 4.090 1.00 0.00 N ATOM 733 CA VAL A 45 -5.550 -5.714 5.120 1.00 0.00 C ATOM 734 C VAL A 45 -5.441 -7.148 4.578 1.00 0.00 C ATOM 735 O VAL A 45 -6.284 -7.605 3.832 1.00 0.00 O ATOM 736 CB VAL A 45 -6.377 -5.711 6.411 1.00 0.00 C ATOM 737 CG1 VAL A 45 -6.336 -4.317 7.047 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.827 -6.076 6.086 1.00 0.00 C ATOM 0 H VAL A 45 -7.122 -5.234 3.764 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.556 -5.321 5.335 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.962 -6.439 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.925 -4.318 7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.304 -4.053 7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.750 -3.587 6.351 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.417 -6.074 7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.238 -5.346 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.860 -7.068 5.635 1.00 0.00 H new ATOM 748 N ALA A 46 -4.404 -7.852 4.937 1.00 0.00 N ATOM 749 CA ALA A 46 -4.226 -9.249 4.432 1.00 0.00 C ATOM 750 C ALA A 46 -5.460 -10.099 4.752 1.00 0.00 C ATOM 751 O ALA A 46 -5.566 -11.230 4.321 1.00 0.00 O ATOM 752 CB ALA A 46 -2.988 -9.866 5.085 1.00 0.00 C ATOM 0 H ALA A 46 -3.667 -7.522 5.561 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.098 -9.222 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.854 -10.884 4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.110 -9.272 4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.117 -9.882 6.167 1.00 0.00 H new ATOM 758 N THR A 47 -6.389 -9.577 5.505 1.00 0.00 N ATOM 759 CA THR A 47 -7.607 -10.370 5.852 1.00 0.00 C ATOM 760 C THR A 47 -8.704 -10.146 4.798 1.00 0.00 C ATOM 761 O THR A 47 -9.753 -10.757 4.844 1.00 0.00 O ATOM 762 CB THR A 47 -8.122 -9.917 7.221 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.656 -8.603 7.112 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.969 -9.918 8.228 1.00 0.00 C ATOM 0 H THR A 47 -6.359 -8.635 5.896 1.00 0.00 H new ATOM 0 HA THR A 47 -7.351 -11.429 5.878 1.00 0.00 H new ATOM 0 HB THR A 47 -8.900 -10.600 7.562 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.988 -8.311 7.987 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.336 -9.595 9.202 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.558 -10.924 8.310 1.00 0.00 H new ATOM 0 HG23 THR A 47 -6.190 -9.235 7.890 1.00 0.00 H new ATOM 772 N ASP A 48 -8.473 -9.271 3.857 1.00 0.00 N ATOM 773 CA ASP A 48 -9.503 -8.999 2.808 1.00 0.00 C ATOM 774 C ASP A 48 -9.591 -10.167 1.814 1.00 0.00 C ATOM 775 O ASP A 48 -8.715 -11.007 1.742 1.00 0.00 O ATOM 776 CB ASP A 48 -9.136 -7.720 2.056 1.00 0.00 C ATOM 777 CG ASP A 48 -9.296 -6.518 2.989 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.961 -6.665 4.001 1.00 0.00 O ATOM 779 OD2 ASP A 48 -8.751 -5.472 2.675 1.00 0.00 O ATOM 0 H ASP A 48 -7.613 -8.730 3.768 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.472 -8.882 3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.109 -7.780 1.694 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.776 -7.603 1.181 1.00 0.00 H new ATOM 784 N ARG A 49 -10.655 -10.214 1.041 1.00 0.00 N ATOM 785 CA ARG A 49 -10.836 -11.312 0.034 1.00 0.00 C ATOM 786 C ARG A 49 -11.302 -10.682 -1.291 1.00 0.00 C ATOM 787 O ARG A 49 -12.314 -10.010 -1.344 1.00 0.00 O ATOM 788 CB ARG A 49 -11.899 -12.298 0.564 1.00 0.00 C ATOM 789 CG ARG A 49 -11.639 -13.720 0.033 1.00 0.00 C ATOM 790 CD ARG A 49 -11.846 -13.779 -1.494 1.00 0.00 C ATOM 791 NE ARG A 49 -12.424 -15.110 -1.867 1.00 0.00 N ATOM 792 CZ ARG A 49 -11.912 -16.225 -1.408 1.00 0.00 C ATOM 793 NH1 ARG A 49 -10.777 -16.219 -0.768 1.00 0.00 N ATOM 794 NH2 ARG A 49 -12.515 -17.359 -1.641 1.00 0.00 N ATOM 0 H ARG A 49 -11.412 -9.531 1.066 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.903 -11.850 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.885 -12.304 1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.892 -11.967 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.622 -14.025 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.310 -14.425 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.513 -12.978 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.897 -13.626 -2.007 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.231 -15.149 -2.490 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.279 -15.341 -0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.386 -17.092 -0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.382 -17.375 -2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.120 -18.229 -1.285 1.00 0.00 H new ATOM 808 N VAL A 50 -10.559 -10.868 -2.353 1.00 0.00 N ATOM 809 CA VAL A 50 -10.945 -10.253 -3.657 1.00 0.00 C ATOM 810 C VAL A 50 -11.999 -11.113 -4.379 1.00 0.00 C ATOM 811 O VAL A 50 -12.022 -12.318 -4.230 1.00 0.00 O ATOM 812 CB VAL A 50 -9.700 -10.146 -4.544 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.658 -9.257 -3.874 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.104 -11.536 -4.782 1.00 0.00 C ATOM 0 H VAL A 50 -9.701 -11.420 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.368 -9.267 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.988 -9.709 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.776 -9.186 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.074 -8.262 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.377 -9.687 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.220 -11.449 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.826 -11.981 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.842 -12.169 -5.276 1.00 0.00 H new ATOM 824 N PRO A 51 -12.854 -10.502 -5.177 1.00 0.00 N ATOM 825 CA PRO A 51 -13.898 -11.240 -5.951 1.00 0.00 C ATOM 826 C PRO A 51 -13.291 -12.006 -7.135 1.00 0.00 C ATOM 827 O PRO A 51 -12.288 -11.608 -7.695 1.00 0.00 O ATOM 828 CB PRO A 51 -14.833 -10.126 -6.445 1.00 0.00 C ATOM 829 CG PRO A 51 -13.959 -8.922 -6.556 1.00 0.00 C ATOM 830 CD PRO A 51 -12.929 -9.047 -5.431 1.00 0.00 C ATOM 0 HA PRO A 51 -14.406 -11.994 -5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.280 -10.381 -7.406 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.653 -9.958 -5.746 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.471 -8.882 -7.530 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.541 -8.006 -6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.961 -8.643 -5.729 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.242 -8.502 -4.541 1.00 0.00 H new ATOM 838 N ALA A 52 -13.891 -13.099 -7.522 1.00 0.00 N ATOM 839 CA ALA A 52 -13.349 -13.883 -8.670 1.00 0.00 C ATOM 840 C ALA A 52 -13.024 -12.939 -9.831 1.00 0.00 C ATOM 841 O ALA A 52 -13.668 -11.928 -10.023 1.00 0.00 O ATOM 842 CB ALA A 52 -14.380 -14.918 -9.124 1.00 0.00 C ATOM 0 H ALA A 52 -14.733 -13.483 -7.093 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.440 -14.396 -8.355 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.979 -15.488 -9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.604 -15.595 -8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.293 -14.410 -9.434 1.00 0.00 H new ATOM 848 N GLY A 53 -12.019 -13.266 -10.601 1.00 0.00 N ATOM 849 CA GLY A 53 -11.625 -12.397 -11.752 1.00 0.00 C ATOM 850 C GLY A 53 -10.395 -11.579 -11.356 1.00 0.00 C ATOM 851 O GLY A 53 -9.494 -11.369 -12.143 1.00 0.00 O ATOM 0 H GLY A 53 -11.450 -14.104 -10.482 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.406 -13.008 -12.628 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.447 -11.735 -12.023 1.00 0.00 H new ATOM 855 N LYS A 54 -10.345 -11.127 -10.128 1.00 0.00 N ATOM 856 CA LYS A 54 -9.178 -10.336 -9.659 1.00 0.00 C ATOM 857 C LYS A 54 -8.197 -11.283 -8.967 1.00 0.00 C ATOM 858 O LYS A 54 -8.581 -12.075 -8.129 1.00 0.00 O ATOM 859 CB LYS A 54 -9.659 -9.292 -8.653 1.00 0.00 C ATOM 860 CG LYS A 54 -10.793 -8.451 -9.257 1.00 0.00 C ATOM 861 CD LYS A 54 -10.357 -7.855 -10.605 1.00 0.00 C ATOM 862 CE LYS A 54 -11.209 -6.622 -10.934 1.00 0.00 C ATOM 863 NZ LYS A 54 -12.650 -7.002 -10.964 1.00 0.00 N ATOM 0 H LYS A 54 -11.072 -11.276 -9.428 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.693 -9.841 -10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.007 -9.785 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.830 -8.645 -8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.680 -9.070 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.067 -7.651 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.303 -7.579 -10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.462 -8.601 -11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.043 -5.844 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.912 -6.209 -11.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.198 -6.249 -11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.764 -7.890 -11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.995 -7.133 -9.992 1.00 0.00 H new ATOM 877 N ARG A 55 -6.939 -11.224 -9.304 1.00 0.00 N ATOM 878 CA ARG A 55 -5.965 -12.142 -8.651 1.00 0.00 C ATOM 879 C ARG A 55 -5.629 -11.626 -7.253 1.00 0.00 C ATOM 880 O ARG A 55 -5.716 -10.448 -6.972 1.00 0.00 O ATOM 881 CB ARG A 55 -4.685 -12.240 -9.493 1.00 0.00 C ATOM 882 CG ARG A 55 -4.959 -13.051 -10.775 1.00 0.00 C ATOM 883 CD ARG A 55 -4.848 -14.561 -10.495 1.00 0.00 C ATOM 884 NE ARG A 55 -5.722 -15.299 -11.451 1.00 0.00 N ATOM 885 CZ ARG A 55 -5.631 -16.596 -11.555 1.00 0.00 C ATOM 886 NH1 ARG A 55 -4.793 -17.254 -10.801 1.00 0.00 N ATOM 887 NH2 ARG A 55 -6.385 -17.238 -12.405 1.00 0.00 N ATOM 0 H ARG A 55 -6.546 -10.587 -9.996 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.410 -13.134 -8.571 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.333 -11.242 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.894 -12.716 -8.914 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -5.954 -12.818 -11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.248 -12.766 -11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.814 -14.888 -10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.147 -14.776 -9.469 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.393 -14.788 -12.025 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.209 -16.754 -10.130 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.722 -18.268 -10.882 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.046 -16.725 -12.989 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.313 -18.252 -12.486 1.00 0.00 H new ATOM 901 N ASP A 56 -5.252 -12.511 -6.370 1.00 0.00 N ATOM 902 CA ASP A 56 -4.918 -12.090 -4.982 1.00 0.00 C ATOM 903 C ASP A 56 -3.642 -11.251 -4.980 1.00 0.00 C ATOM 904 O ASP A 56 -2.883 -11.246 -5.929 1.00 0.00 O ATOM 905 CB ASP A 56 -4.716 -13.326 -4.105 1.00 0.00 C ATOM 906 CG ASP A 56 -6.067 -13.999 -3.861 1.00 0.00 C ATOM 907 OD1 ASP A 56 -7.060 -13.475 -4.339 1.00 0.00 O ATOM 908 OD2 ASP A 56 -6.087 -15.026 -3.204 1.00 0.00 O ATOM 0 H ASP A 56 -5.161 -13.510 -6.552 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.739 -11.492 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.032 -14.022 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.261 -13.042 -3.156 1.00 0.00 H new ATOM 913 N CYS A 57 -3.407 -10.540 -3.915 1.00 0.00 N ATOM 914 CA CYS A 57 -2.192 -9.693 -3.824 1.00 0.00 C ATOM 915 C CYS A 57 -1.881 -9.452 -2.352 1.00 0.00 C ATOM 916 O CYS A 57 -2.669 -9.761 -1.480 1.00 0.00 O ATOM 917 CB CYS A 57 -2.446 -8.355 -4.525 1.00 0.00 C ATOM 918 SG CYS A 57 -1.050 -7.241 -4.232 1.00 0.00 S ATOM 0 H CYS A 57 -4.013 -10.511 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.350 -10.190 -4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.580 -8.513 -5.595 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.367 -7.906 -4.152 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.124 -6.761 -3.026 1.00 0.00 H new ATOM 924 N ILE A 58 -0.740 -8.904 -2.063 1.00 0.00 N ATOM 925 CA ILE A 58 -0.378 -8.643 -0.647 1.00 0.00 C ATOM 926 C ILE A 58 -1.022 -7.334 -0.198 1.00 0.00 C ATOM 927 O ILE A 58 -1.027 -6.356 -0.921 1.00 0.00 O ATOM 928 CB ILE A 58 1.142 -8.552 -0.541 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.740 -9.923 -0.884 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.540 -8.148 0.882 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.229 -9.771 -1.198 1.00 0.00 C ATOM 0 H ILE A 58 -0.039 -8.624 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.737 -9.448 -0.006 1.00 0.00 H new ATOM 0 HB ILE A 58 1.520 -7.800 -1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.603 -10.610 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.220 -10.354 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.626 -8.085 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.104 -7.178 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.174 -8.894 1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.651 -10.746 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.355 -9.099 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.744 -9.359 -0.330 1.00 0.00 H new ATOM 943 N SER A 59 -1.578 -7.304 0.981 1.00 0.00 N ATOM 944 CA SER A 59 -2.230 -6.054 1.450 1.00 0.00 C ATOM 945 C SER A 59 -1.224 -4.907 1.391 1.00 0.00 C ATOM 946 O SER A 59 -0.027 -5.114 1.447 1.00 0.00 O ATOM 947 CB SER A 59 -2.722 -6.232 2.881 1.00 0.00 C ATOM 948 OG SER A 59 -1.610 -6.453 3.738 1.00 0.00 O ATOM 0 H SER A 59 -1.608 -8.086 1.635 1.00 0.00 H new ATOM 0 HA SER A 59 -3.081 -5.827 0.808 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.272 -5.347 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.412 -7.074 2.938 1.00 0.00 H new ATOM 0 HG SER A 59 -1.924 -6.566 4.659 1.00 0.00 H new ATOM 954 N LEU A 60 -1.697 -3.700 1.261 1.00 0.00 N ATOM 955 CA LEU A 60 -0.765 -2.546 1.179 1.00 0.00 C ATOM 956 C LEU A 60 0.052 -2.433 2.465 1.00 0.00 C ATOM 957 O LEU A 60 1.257 -2.305 2.424 1.00 0.00 O ATOM 958 CB LEU A 60 -1.558 -1.255 0.975 1.00 0.00 C ATOM 959 CG LEU A 60 -2.395 -1.357 -0.304 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.296 -0.124 -0.416 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.479 -1.446 -1.539 1.00 0.00 C ATOM 0 H LEU A 60 -2.688 -3.464 1.208 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.091 -2.702 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.207 -1.077 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.878 -0.406 0.909 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.007 -2.258 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.894 -0.192 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.956 -0.076 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.680 0.775 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.089 -1.518 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.854 -0.554 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.845 -2.329 -1.459 1.00 0.00 H new ATOM 973 N ARG A 61 -0.580 -2.463 3.611 1.00 0.00 N ATOM 974 CA ARG A 61 0.201 -2.330 4.879 1.00 0.00 C ATOM 975 C ARG A 61 1.423 -3.248 4.833 1.00 0.00 C ATOM 976 O ARG A 61 2.533 -2.841 5.127 1.00 0.00 O ATOM 977 CB ARG A 61 -0.681 -2.716 6.070 1.00 0.00 C ATOM 978 CG ARG A 61 -1.962 -1.855 6.077 1.00 0.00 C ATOM 979 CD ARG A 61 -2.407 -1.582 7.515 1.00 0.00 C ATOM 980 NE ARG A 61 -3.704 -0.849 7.486 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.402 -0.701 8.581 1.00 0.00 C ATOM 982 NH1 ARG A 61 -3.960 -1.189 9.708 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.542 -0.065 8.550 1.00 0.00 N ATOM 0 H ARG A 61 -1.588 -2.572 3.724 1.00 0.00 H new ATOM 0 HA ARG A 61 0.529 -1.297 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.943 -3.772 6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.132 -2.574 7.001 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.779 -0.913 5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.756 -2.367 5.534 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.515 -2.519 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.653 -0.994 8.038 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.049 -0.461 6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.070 -1.686 9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.505 -1.073 10.562 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.889 0.317 7.670 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.085 0.050 9.406 1.00 0.00 H new ATOM 997 N GLU A 62 1.232 -4.476 4.452 1.00 0.00 N ATOM 998 CA GLU A 62 2.384 -5.406 4.375 1.00 0.00 C ATOM 999 C GLU A 62 3.250 -5.015 3.173 1.00 0.00 C ATOM 1000 O GLU A 62 4.461 -5.111 3.208 1.00 0.00 O ATOM 1001 CB GLU A 62 1.859 -6.835 4.226 1.00 0.00 C ATOM 1002 CG GLU A 62 1.090 -7.206 5.497 1.00 0.00 C ATOM 1003 CD GLU A 62 0.552 -8.634 5.381 1.00 0.00 C ATOM 1004 OE1 GLU A 62 0.291 -9.060 4.268 1.00 0.00 O ATOM 1005 OE2 GLU A 62 0.407 -9.274 6.410 1.00 0.00 O ATOM 0 H GLU A 62 0.330 -4.874 4.191 1.00 0.00 H new ATOM 0 HA GLU A 62 2.989 -5.350 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.209 -6.911 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.686 -7.528 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.744 -7.124 6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.266 -6.509 5.651 1.00 0.00 H new ATOM 1012 N LYS A 63 2.637 -4.555 2.115 1.00 0.00 N ATOM 1013 CA LYS A 63 3.424 -4.141 0.919 1.00 0.00 C ATOM 1014 C LYS A 63 4.224 -2.875 1.263 1.00 0.00 C ATOM 1015 O LYS A 63 5.377 -2.737 0.905 1.00 0.00 O ATOM 1016 CB LYS A 63 2.461 -3.861 -0.251 1.00 0.00 C ATOM 1017 CG LYS A 63 3.169 -4.125 -1.587 1.00 0.00 C ATOM 1018 CD LYS A 63 2.312 -3.616 -2.760 1.00 0.00 C ATOM 1019 CE LYS A 63 1.174 -4.600 -3.065 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.734 -5.935 -3.436 1.00 0.00 N ATOM 0 H LYS A 63 1.626 -4.448 2.028 1.00 0.00 H new ATOM 0 HA LYS A 63 4.113 -4.934 0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.578 -4.495 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.117 -2.828 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.139 -3.629 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.356 -5.193 -1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.898 -2.637 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.936 -3.488 -3.644 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.525 -4.698 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.559 -4.216 -3.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.979 -6.530 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.486 -5.811 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.127 -6.394 -2.589 1.00 0.00 H new ATOM 1034 N ILE A 64 3.613 -1.954 1.966 1.00 0.00 N ATOM 1035 CA ILE A 64 4.323 -0.696 2.346 1.00 0.00 C ATOM 1036 C ILE A 64 5.690 -1.042 2.955 1.00 0.00 C ATOM 1037 O ILE A 64 6.711 -0.528 2.535 1.00 0.00 O ATOM 1038 CB ILE A 64 3.434 0.091 3.360 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.531 1.123 2.630 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.291 0.821 4.410 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.253 0.464 2.113 1.00 0.00 C ATOM 0 H ILE A 64 2.649 -2.021 2.294 1.00 0.00 H new ATOM 0 HA ILE A 64 4.494 -0.072 1.469 1.00 0.00 H new ATOM 0 HB ILE A 64 2.805 -0.642 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.276 1.934 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.078 1.566 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.641 1.359 5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.886 0.094 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.954 1.528 3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.639 1.209 1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.511 -0.331 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.696 0.044 2.950 1.00 0.00 H new ATOM 1053 N ALA A 65 5.723 -1.896 3.935 1.00 0.00 N ATOM 1054 CA ALA A 65 7.031 -2.250 4.555 1.00 0.00 C ATOM 1055 C ALA A 65 7.961 -2.846 3.497 1.00 0.00 C ATOM 1056 O ALA A 65 9.159 -2.661 3.544 1.00 0.00 O ATOM 1057 CB ALA A 65 6.812 -3.272 5.675 1.00 0.00 C ATOM 0 H ALA A 65 4.908 -2.363 4.333 1.00 0.00 H new ATOM 0 HA ALA A 65 7.485 -1.350 4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.771 -3.529 6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.156 -2.845 6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.353 -4.171 5.263 1.00 0.00 H new ATOM 1063 N GLU A 66 7.420 -3.574 2.555 1.00 0.00 N ATOM 1064 CA GLU A 66 8.273 -4.208 1.504 1.00 0.00 C ATOM 1065 C GLU A 66 8.842 -3.163 0.534 1.00 0.00 C ATOM 1066 O GLU A 66 9.944 -3.303 0.044 1.00 0.00 O ATOM 1067 CB GLU A 66 7.435 -5.208 0.709 1.00 0.00 C ATOM 1068 CG GLU A 66 8.355 -6.028 -0.198 1.00 0.00 C ATOM 1069 CD GLU A 66 7.524 -7.034 -0.994 1.00 0.00 C ATOM 1070 OE1 GLU A 66 6.314 -6.890 -1.010 1.00 0.00 O ATOM 1071 OE2 GLU A 66 8.114 -7.930 -1.577 1.00 0.00 O ATOM 0 H GLU A 66 6.421 -3.758 2.467 1.00 0.00 H new ATOM 0 HA GLU A 66 9.104 -4.708 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.893 -5.866 1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.690 -4.682 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.895 -5.368 -0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.102 -6.550 0.400 1.00 0.00 H new ATOM 1078 N LEU A 67 8.100 -2.134 0.228 1.00 0.00 N ATOM 1079 CA LEU A 67 8.607 -1.113 -0.739 1.00 0.00 C ATOM 1080 C LEU A 67 9.852 -0.410 -0.181 1.00 0.00 C ATOM 1081 O LEU A 67 10.775 -0.107 -0.904 1.00 0.00 O ATOM 1082 CB LEU A 67 7.504 -0.059 -1.017 1.00 0.00 C ATOM 1083 CG LEU A 67 6.636 -0.438 -2.236 1.00 0.00 C ATOM 1084 CD1 LEU A 67 7.494 -0.558 -3.518 1.00 0.00 C ATOM 1085 CD2 LEU A 67 5.910 -1.755 -1.953 1.00 0.00 C ATOM 0 H LEU A 67 7.168 -1.954 0.603 1.00 0.00 H new ATOM 0 HA LEU A 67 8.874 -1.620 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.869 0.042 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.966 0.913 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 67 5.904 0.352 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.855 -0.826 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.980 0.396 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.252 -1.329 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.296 -2.024 -2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.642 -2.542 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.274 -1.639 -1.076 1.00 0.00 H new ATOM 1097 N GLN A 68 9.876 -0.109 1.076 1.00 0.00 N ATOM 1098 CA GLN A 68 11.054 0.616 1.629 1.00 0.00 C ATOM 1099 C GLN A 68 12.295 -0.292 1.685 1.00 0.00 C ATOM 1100 O GLN A 68 13.380 0.120 1.326 1.00 0.00 O ATOM 1101 CB GLN A 68 10.714 1.125 3.032 1.00 0.00 C ATOM 1102 CG GLN A 68 9.467 2.009 2.953 1.00 0.00 C ATOM 1103 CD GLN A 68 9.091 2.499 4.353 1.00 0.00 C ATOM 1104 OE1 GLN A 68 9.911 3.058 5.053 1.00 0.00 O ATOM 1105 NE2 GLN A 68 7.877 2.313 4.793 1.00 0.00 N ATOM 0 H GLN A 68 9.140 -0.328 1.747 1.00 0.00 H new ATOM 0 HA GLN A 68 11.287 1.455 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 68 10.538 0.286 3.705 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.551 1.691 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.654 2.860 2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.639 1.448 2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.188 1.844 4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.617 2.637 5.725 1.00 0.00 H new