USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 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 93:sc= 0.207 USER MOD Set 1.2: A 57 CYS SG : rot 180:sc= -0.257! USER MOD Set 2.1: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 68 GLN :FLIP amide:sc= -1.15 F(o=-1.9!,f=-1.1) USER MOD Set 3.1: A 8 ASN : amide:sc= -0.408 K(o=0.13,f=-2.4) USER MOD Set 3.2: A 19 GLN :FLIP amide:sc= 0.536 F(o=-4.9!,f=0.13) USER MOD Single : A 14 LYS NZ :NH3+ -140:sc= 0 (180deg=-1.07) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -31:sc= 0.723 USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0268) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.419 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 105:sc= -2.07! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -18.6! C(o=-19!,f=-19!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0.233 (180deg=0.189) 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 160:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 -13.228 7.409 7.112 1.00 0.00 N ATOM 63 CA ARG A 6 -13.331 5.954 6.798 1.00 0.00 C ATOM 64 C ARG A 6 -13.601 5.749 5.313 1.00 0.00 C ATOM 65 O ARG A 6 -14.118 6.610 4.631 1.00 0.00 O ATOM 66 CB ARG A 6 -14.480 5.352 7.600 1.00 0.00 C ATOM 67 CG ARG A 6 -14.189 5.510 9.093 1.00 0.00 C ATOM 68 CD ARG A 6 -15.105 4.587 9.894 1.00 0.00 C ATOM 69 NE ARG A 6 -16.543 4.919 9.612 1.00 0.00 N ATOM 70 CZ ARG A 6 -17.047 6.092 9.892 1.00 0.00 C ATOM 71 NH1 ARG A 6 -16.338 6.983 10.530 1.00 0.00 N ATOM 72 NH2 ARG A 6 -18.283 6.363 9.565 1.00 0.00 N ATOM 0 HA ARG A 6 -12.391 5.468 7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.416 5.849 7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.600 4.298 7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.146 5.270 9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.344 6.545 9.396 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -14.905 3.548 9.634 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.901 4.694 10.959 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.142 4.209 9.190 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.383 6.766 10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -16.739 7.896 10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.851 5.660 9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.679 7.277 9.782 1.00 0.00 H new ATOM 86 N ASP A 7 -13.271 4.593 4.817 1.00 0.00 N ATOM 87 CA ASP A 7 -13.522 4.290 3.388 1.00 0.00 C ATOM 88 C ASP A 7 -15.000 3.914 3.222 1.00 0.00 C ATOM 89 O ASP A 7 -15.761 3.927 4.169 1.00 0.00 O ATOM 90 CB ASP A 7 -12.620 3.131 2.954 1.00 0.00 C ATOM 91 CG ASP A 7 -11.214 3.644 2.647 1.00 0.00 C ATOM 92 OD1 ASP A 7 -11.106 4.725 2.090 1.00 0.00 O ATOM 93 OD2 ASP A 7 -10.270 2.944 2.977 1.00 0.00 O ATOM 0 H ASP A 7 -12.834 3.839 5.347 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.299 5.157 2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.577 2.379 3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.038 2.645 2.073 1.00 0.00 H new ATOM 98 N ASN A 8 -15.415 3.608 2.027 1.00 0.00 N ATOM 99 CA ASN A 8 -16.849 3.261 1.792 1.00 0.00 C ATOM 100 C ASN A 8 -17.221 1.944 2.478 1.00 0.00 C ATOM 101 O ASN A 8 -18.385 1.620 2.613 1.00 0.00 O ATOM 102 CB ASN A 8 -17.086 3.120 0.294 1.00 0.00 C ATOM 103 CG ASN A 8 -16.194 2.002 -0.258 1.00 0.00 C ATOM 104 OD1 ASN A 8 -16.510 0.841 -0.122 1.00 0.00 O ATOM 105 ND2 ASN A 8 -15.082 2.307 -0.873 1.00 0.00 N ATOM 0 H ASN A 8 -14.823 3.582 1.197 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.468 4.056 2.209 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -18.134 2.893 0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.864 4.060 -0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.482 1.568 -1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.815 3.285 -0.988 1.00 0.00 H new ATOM 112 N ARG A 9 -16.256 1.174 2.898 1.00 0.00 N ATOM 113 CA ARG A 9 -16.569 -0.134 3.559 1.00 0.00 C ATOM 114 C ARG A 9 -16.498 0.020 5.083 1.00 0.00 C ATOM 115 O ARG A 9 -16.449 -0.951 5.813 1.00 0.00 O ATOM 116 CB ARG A 9 -15.542 -1.173 3.087 1.00 0.00 C ATOM 117 CG ARG A 9 -15.954 -1.770 1.716 1.00 0.00 C ATOM 118 CD ARG A 9 -16.682 -3.110 1.900 1.00 0.00 C ATOM 119 NE ARG A 9 -17.976 -2.904 2.612 1.00 0.00 N ATOM 120 CZ ARG A 9 -18.909 -3.811 2.539 1.00 0.00 C ATOM 121 NH1 ARG A 9 -18.710 -4.894 1.836 1.00 0.00 N ATOM 122 NH2 ARG A 9 -20.040 -3.632 3.165 1.00 0.00 N ATOM 0 H ARG A 9 -15.263 1.390 2.814 1.00 0.00 H new ATOM 0 HA ARG A 9 -17.575 -0.457 3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.559 -0.709 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -15.458 -1.970 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.601 -1.069 1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.069 -1.914 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -16.863 -3.569 0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.054 -3.798 2.466 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.131 -2.055 3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.826 -5.028 1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.439 -5.605 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -20.192 -2.783 3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.772 -4.341 3.109 1.00 0.00 H new ATOM 136 N GLY A 10 -16.492 1.230 5.568 1.00 0.00 N ATOM 137 CA GLY A 10 -16.426 1.439 7.043 1.00 0.00 C ATOM 138 C GLY A 10 -15.048 1.023 7.558 1.00 0.00 C ATOM 139 O GLY A 10 -14.866 0.740 8.727 1.00 0.00 O ATOM 0 H GLY A 10 -16.530 2.082 5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.614 2.486 7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.202 0.856 7.538 1.00 0.00 H new ATOM 143 N ARG A 11 -14.074 0.981 6.688 1.00 0.00 N ATOM 144 CA ARG A 11 -12.698 0.583 7.112 1.00 0.00 C ATOM 145 C ARG A 11 -11.903 1.821 7.523 1.00 0.00 C ATOM 146 O ARG A 11 -11.775 2.762 6.765 1.00 0.00 O ATOM 147 CB ARG A 11 -11.978 -0.082 5.941 1.00 0.00 C ATOM 148 CG ARG A 11 -12.637 -1.420 5.613 1.00 0.00 C ATOM 149 CD ARG A 11 -12.065 -1.950 4.291 1.00 0.00 C ATOM 150 NE ARG A 11 -12.295 -3.414 4.167 1.00 0.00 N ATOM 151 CZ ARG A 11 -12.311 -3.983 2.989 1.00 0.00 C ATOM 152 NH1 ARG A 11 -12.271 -3.257 1.903 1.00 0.00 N ATOM 153 NH2 ARG A 11 -12.395 -5.281 2.898 1.00 0.00 N ATOM 0 H ARG A 11 -14.172 1.206 5.698 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.774 -0.107 7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.007 0.570 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.928 -0.236 6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.455 -2.135 6.415 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.717 -1.298 5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.532 -1.432 3.453 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.997 -1.739 4.241 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.441 -3.977 5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.227 -2.240 1.971 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.284 -3.707 0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.448 -5.849 3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.408 -5.728 1.981 1.00 0.00 H new ATOM 167 N ILE A 12 -11.343 1.827 8.700 1.00 0.00 N ATOM 168 CA ILE A 12 -10.540 3.007 9.114 1.00 0.00 C ATOM 169 C ILE A 12 -9.181 2.921 8.419 1.00 0.00 C ATOM 170 O ILE A 12 -8.269 2.268 8.890 1.00 0.00 O ATOM 171 CB ILE A 12 -10.354 3.008 10.640 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.742 2.978 11.311 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.588 4.270 11.071 1.00 0.00 C ATOM 174 CD1 ILE A 12 -11.645 3.385 12.789 1.00 0.00 C ATOM 0 H ILE A 12 -11.406 1.074 9.385 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.049 3.929 8.833 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.781 2.132 10.944 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.418 3.654 10.787 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.167 1.977 11.232 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.459 4.265 12.153 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.610 4.285 10.589 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.151 5.156 10.776 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.637 3.356 13.240 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.987 2.693 13.315 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.242 4.395 12.863 1.00 0.00 H new ATOM 186 N LEU A 13 -9.037 3.585 7.302 1.00 0.00 N ATOM 187 CA LEU A 13 -7.735 3.550 6.579 1.00 0.00 C ATOM 188 C LEU A 13 -6.843 4.654 7.135 1.00 0.00 C ATOM 189 O LEU A 13 -7.319 5.620 7.699 1.00 0.00 O ATOM 190 CB LEU A 13 -7.953 3.750 5.069 1.00 0.00 C ATOM 191 CG LEU A 13 -8.636 5.106 4.768 1.00 0.00 C ATOM 192 CD1 LEU A 13 -8.388 5.477 3.298 1.00 0.00 C ATOM 193 CD2 LEU A 13 -10.155 5.055 5.066 1.00 0.00 C ATOM 0 H LEU A 13 -9.764 4.148 6.861 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.259 2.580 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.994 3.702 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.566 2.938 4.678 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.205 5.867 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.866 6.431 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.316 5.559 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.806 4.705 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.602 6.024 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.622 4.289 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.312 4.816 6.118 1.00 0.00 H new ATOM 205 N LYS A 14 -5.550 4.516 7.007 1.00 0.00 N ATOM 206 CA LYS A 14 -4.633 5.558 7.553 1.00 0.00 C ATOM 207 C LYS A 14 -4.311 6.602 6.494 1.00 0.00 C ATOM 208 O LYS A 14 -4.814 6.592 5.389 1.00 0.00 O ATOM 209 CB LYS A 14 -3.327 4.917 8.035 1.00 0.00 C ATOM 210 CG LYS A 14 -3.516 4.292 9.420 1.00 0.00 C ATOM 211 CD LYS A 14 -4.735 3.366 9.442 1.00 0.00 C ATOM 212 CE LYS A 14 -4.808 2.674 10.797 1.00 0.00 C ATOM 213 NZ LYS A 14 -3.807 1.570 10.854 1.00 0.00 N ATOM 0 H LYS A 14 -5.090 3.729 6.549 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.136 6.041 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.006 4.154 7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.538 5.669 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.623 3.730 9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.639 5.079 10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.645 3.938 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.660 2.626 8.645 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.616 3.393 11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.810 2.278 10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.223 0.749 11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.533 1.299 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.966 1.890 11.375 1.00 0.00 H new ATOM 227 N THR A 15 -3.457 7.496 6.865 1.00 0.00 N ATOM 228 CA THR A 15 -3.027 8.595 5.943 1.00 0.00 C ATOM 229 C THR A 15 -2.421 8.021 4.658 1.00 0.00 C ATOM 230 O THR A 15 -1.727 7.024 4.680 1.00 0.00 O ATOM 231 CB THR A 15 -1.978 9.467 6.638 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.455 9.851 7.921 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.717 10.716 5.794 1.00 0.00 C ATOM 0 H THR A 15 -3.022 7.523 7.787 1.00 0.00 H new ATOM 0 HA THR A 15 -3.904 9.190 5.688 1.00 0.00 H new ATOM 0 HB THR A 15 -1.052 8.904 6.750 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.783 10.408 8.367 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.970 11.339 6.287 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.351 10.421 4.811 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.643 11.280 5.682 1.00 0.00 H new ATOM 241 N GLY A 16 -2.652 8.666 3.542 1.00 0.00 N ATOM 242 CA GLY A 16 -2.065 8.189 2.251 1.00 0.00 C ATOM 243 C GLY A 16 -3.016 7.213 1.562 1.00 0.00 C ATOM 244 O GLY A 16 -3.379 7.391 0.416 1.00 0.00 O ATOM 0 H GLY A 16 -3.225 9.507 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.869 9.039 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.107 7.703 2.437 1.00 0.00 H new ATOM 248 N GLU A 17 -3.420 6.183 2.244 1.00 0.00 N ATOM 249 CA GLU A 17 -4.339 5.202 1.621 1.00 0.00 C ATOM 250 C GLU A 17 -5.606 5.928 1.177 1.00 0.00 C ATOM 251 O GLU A 17 -6.011 6.908 1.770 1.00 0.00 O ATOM 252 CB GLU A 17 -4.691 4.136 2.650 1.00 0.00 C ATOM 253 CG GLU A 17 -3.424 3.370 3.034 1.00 0.00 C ATOM 254 CD GLU A 17 -3.789 2.194 3.942 1.00 0.00 C ATOM 255 OE1 GLU A 17 -4.729 1.485 3.615 1.00 0.00 O ATOM 256 OE2 GLU A 17 -3.124 2.023 4.951 1.00 0.00 O ATOM 0 H GLU A 17 -3.152 5.979 3.207 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.866 4.733 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.133 4.598 3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.435 3.451 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.921 3.008 2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.727 4.034 3.545 1.00 0.00 H new ATOM 263 N SER A 18 -6.230 5.466 0.135 1.00 0.00 N ATOM 264 CA SER A 18 -7.465 6.138 -0.346 1.00 0.00 C ATOM 265 C SER A 18 -8.239 5.169 -1.236 1.00 0.00 C ATOM 266 O SER A 18 -7.688 4.212 -1.745 1.00 0.00 O ATOM 267 CB SER A 18 -7.088 7.388 -1.139 1.00 0.00 C ATOM 268 OG SER A 18 -6.269 8.223 -0.331 1.00 0.00 O ATOM 0 H SER A 18 -5.939 4.651 -0.406 1.00 0.00 H new ATOM 0 HA SER A 18 -8.086 6.430 0.501 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.558 7.110 -2.050 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.986 7.925 -1.444 1.00 0.00 H new ATOM 0 HG SER A 18 -6.515 8.110 0.611 1.00 0.00 H new ATOM 274 N GLN A 19 -9.512 5.400 -1.426 1.00 0.00 N ATOM 275 CA GLN A 19 -10.317 4.481 -2.282 1.00 0.00 C ATOM 276 C GLN A 19 -10.425 5.056 -3.693 1.00 0.00 C ATOM 277 O GLN A 19 -10.598 6.242 -3.886 1.00 0.00 O ATOM 278 CB GLN A 19 -11.720 4.318 -1.675 1.00 0.00 C ATOM 279 CG GLN A 19 -12.581 5.555 -1.964 1.00 0.00 C ATOM 280 CD GLN A 19 -13.880 5.464 -1.172 1.00 0.00 C ATOM 281 OE1 GLN A 19 -14.925 4.936 -1.742 1.00 0.00 O flip ATOM 282 NE2 GLN A 19 -13.942 5.872 -0.029 1.00 0.00 N flip ATOM 0 H GLN A 19 -10.028 6.184 -1.026 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.830 3.507 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.200 3.430 -2.087 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.641 4.167 -0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.039 6.461 -1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.796 5.621 -3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.119 6.284 0.411 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.817 5.802 0.491 1.00 0.00 H new ATOM 291 N ARG A 20 -10.349 4.213 -4.677 1.00 0.00 N ATOM 292 CA ARG A 20 -10.471 4.683 -6.082 1.00 0.00 C ATOM 293 C ARG A 20 -11.950 4.692 -6.462 1.00 0.00 C ATOM 294 O ARG A 20 -12.811 4.440 -5.643 1.00 0.00 O ATOM 295 CB ARG A 20 -9.715 3.718 -6.997 1.00 0.00 C ATOM 296 CG ARG A 20 -8.189 3.767 -6.707 1.00 0.00 C ATOM 297 CD ARG A 20 -7.464 4.623 -7.757 1.00 0.00 C ATOM 298 NE ARG A 20 -8.119 5.957 -7.869 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.485 6.957 -8.422 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.272 6.792 -8.877 1.00 0.00 N ATOM 301 NH2 ARG A 20 -8.065 8.123 -8.524 1.00 0.00 N ATOM 0 H ARG A 20 -10.206 3.209 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.054 5.684 -6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.086 2.704 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.901 3.977 -8.039 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.016 4.178 -5.713 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.781 2.756 -6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.417 4.745 -7.479 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.480 4.119 -8.723 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.065 6.090 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.818 5.882 -8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.778 7.573 -9.308 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.013 8.253 -8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.570 8.903 -8.956 1.00 0.00 H new ATOM 315 N LYS A 21 -12.255 4.964 -7.696 1.00 0.00 N ATOM 316 CA LYS A 21 -13.679 4.973 -8.120 1.00 0.00 C ATOM 317 C LYS A 21 -14.166 3.533 -8.287 1.00 0.00 C ATOM 318 O LYS A 21 -15.333 3.238 -8.130 1.00 0.00 O ATOM 319 CB LYS A 21 -13.817 5.700 -9.467 1.00 0.00 C ATOM 320 CG LYS A 21 -13.046 7.046 -9.450 1.00 0.00 C ATOM 321 CD LYS A 21 -11.697 6.900 -10.172 1.00 0.00 C ATOM 322 CE LYS A 21 -10.912 8.208 -10.059 1.00 0.00 C ATOM 323 NZ LYS A 21 -11.483 9.209 -11.002 1.00 0.00 N ATOM 0 H LYS A 21 -11.580 5.181 -8.430 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.273 5.486 -7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.434 5.067 -10.268 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.870 5.882 -9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.642 7.820 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.882 7.366 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.125 6.082 -9.734 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.859 6.650 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.958 8.586 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.860 8.035 -10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.910 10.076 -10.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.479 8.819 -11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.460 9.431 -10.723 1.00 0.00 H new ATOM 337 N ASP A 22 -13.280 2.638 -8.641 1.00 0.00 N ATOM 338 CA ASP A 22 -13.690 1.217 -8.862 1.00 0.00 C ATOM 339 C ASP A 22 -13.588 0.394 -7.571 1.00 0.00 C ATOM 340 O ASP A 22 -14.091 -0.712 -7.509 1.00 0.00 O ATOM 341 CB ASP A 22 -12.779 0.596 -9.920 1.00 0.00 C ATOM 342 CG ASP A 22 -12.986 1.311 -11.256 1.00 0.00 C ATOM 343 OD1 ASP A 22 -14.029 1.924 -11.424 1.00 0.00 O ATOM 344 OD2 ASP A 22 -12.098 1.237 -12.088 1.00 0.00 O ATOM 0 H ASP A 22 -12.289 2.829 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.729 1.209 -9.191 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.737 0.676 -9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -12.999 -0.466 -10.026 1.00 0.00 H new ATOM 349 N GLY A 23 -12.959 0.912 -6.537 1.00 0.00 N ATOM 350 CA GLY A 23 -12.851 0.138 -5.252 1.00 0.00 C ATOM 351 C GLY A 23 -11.384 -0.185 -4.928 1.00 0.00 C ATOM 352 O GLY A 23 -11.028 -0.338 -3.776 1.00 0.00 O ATOM 0 H GLY A 23 -12.518 1.832 -6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.289 0.715 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.422 -0.787 -5.331 1.00 0.00 H new ATOM 356 N ARG A 24 -10.523 -0.306 -5.909 1.00 0.00 N ATOM 357 CA ARG A 24 -9.100 -0.635 -5.577 1.00 0.00 C ATOM 358 C ARG A 24 -8.518 0.469 -4.689 1.00 0.00 C ATOM 359 O ARG A 24 -8.780 1.641 -4.878 1.00 0.00 O ATOM 360 CB ARG A 24 -8.241 -0.799 -6.856 1.00 0.00 C ATOM 361 CG ARG A 24 -8.812 0.029 -8.002 1.00 0.00 C ATOM 362 CD ARG A 24 -7.811 0.053 -9.158 1.00 0.00 C ATOM 363 NE ARG A 24 -7.714 -1.303 -9.765 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.151 -1.463 -10.931 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.606 -0.444 -11.542 1.00 0.00 N ATOM 366 NH2 ARG A 24 -7.117 -2.648 -11.478 1.00 0.00 N ATOM 0 H ARG A 24 -10.735 -0.195 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.082 -1.586 -5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.216 -0.489 -6.653 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.205 -1.850 -7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.759 -0.395 -8.335 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.019 1.044 -7.664 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.126 0.777 -9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.833 0.372 -8.798 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.089 -2.110 -9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.620 0.479 -11.107 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.166 -0.571 -12.454 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.530 -3.445 -10.994 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.678 -2.777 -12.389 1.00 0.00 H new ATOM 380 N TYR A 25 -7.726 0.095 -3.717 1.00 0.00 N ATOM 381 CA TYR A 25 -7.118 1.103 -2.809 1.00 0.00 C ATOM 382 C TYR A 25 -5.906 1.741 -3.491 1.00 0.00 C ATOM 383 O TYR A 25 -5.463 1.303 -4.534 1.00 0.00 O ATOM 384 CB TYR A 25 -6.665 0.432 -1.507 1.00 0.00 C ATOM 385 CG TYR A 25 -7.865 0.060 -0.660 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.696 1.066 -0.149 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.140 -1.287 -0.373 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.800 0.726 0.641 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.246 -1.623 0.423 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.074 -0.614 0.926 1.00 0.00 C ATOM 391 OH TYR A 25 -11.158 -0.945 1.705 1.00 0.00 O ATOM 0 H TYR A 25 -7.475 -0.873 -3.515 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.861 1.868 -2.582 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.081 -0.460 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.014 1.106 -0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.485 2.103 -0.365 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.501 -2.064 -0.765 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.442 1.502 1.031 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.457 -2.658 0.647 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.863 -0.275 1.586 1.00 0.00 H new ATOM 401 N LEU A 26 -5.373 2.779 -2.905 1.00 0.00 N ATOM 402 CA LEU A 26 -4.192 3.470 -3.503 1.00 0.00 C ATOM 403 C LEU A 26 -3.364 4.119 -2.386 1.00 0.00 C ATOM 404 O LEU A 26 -3.875 4.878 -1.586 1.00 0.00 O ATOM 405 CB LEU A 26 -4.697 4.555 -4.463 1.00 0.00 C ATOM 406 CG LEU A 26 -3.515 5.304 -5.099 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.654 4.334 -5.928 1.00 0.00 C ATOM 408 CD2 LEU A 26 -4.062 6.419 -5.999 1.00 0.00 C ATOM 0 H LEU A 26 -5.708 3.182 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.570 2.755 -4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.310 4.102 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.333 5.258 -3.925 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.891 5.734 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.820 4.877 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.269 3.545 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.262 3.892 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.232 6.958 -6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.686 5.983 -6.780 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.658 7.109 -5.402 1.00 0.00 H new ATOM 420 N TYR A 27 -2.084 3.838 -2.342 1.00 0.00 N ATOM 421 CA TYR A 27 -1.192 4.440 -1.297 1.00 0.00 C ATOM 422 C TYR A 27 0.036 5.044 -1.992 1.00 0.00 C ATOM 423 O TYR A 27 0.366 4.682 -3.104 1.00 0.00 O ATOM 424 CB TYR A 27 -0.776 3.349 -0.300 1.00 0.00 C ATOM 425 CG TYR A 27 0.161 3.912 0.746 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.318 4.818 1.697 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.505 3.506 0.780 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.539 5.319 2.683 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.363 4.011 1.765 1.00 0.00 C ATOM 430 CZ TYR A 27 1.878 4.916 2.718 1.00 0.00 C ATOM 431 OH TYR A 27 2.719 5.410 3.695 1.00 0.00 O ATOM 0 H TYR A 27 -1.612 3.210 -2.993 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.713 5.226 -0.750 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.661 2.933 0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.288 2.531 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.351 5.132 1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.877 2.805 0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.166 6.017 3.418 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.398 3.703 1.790 1.00 0.00 H new ATOM 0 HH TYR A 27 2.201 5.605 4.504 1.00 0.00 H new ATOM 441 N LYS A 28 0.690 5.989 -1.359 1.00 0.00 N ATOM 442 CA LYS A 28 1.884 6.661 -1.982 1.00 0.00 C ATOM 443 C LYS A 28 3.081 6.604 -1.031 1.00 0.00 C ATOM 444 O LYS A 28 2.945 6.739 0.168 1.00 0.00 O ATOM 445 CB LYS A 28 1.543 8.139 -2.248 1.00 0.00 C ATOM 446 CG LYS A 28 2.747 8.864 -2.890 1.00 0.00 C ATOM 447 CD LYS A 28 2.457 10.371 -3.010 1.00 0.00 C ATOM 448 CE LYS A 28 3.782 11.161 -3.128 1.00 0.00 C ATOM 449 NZ LYS A 28 4.153 11.696 -1.785 1.00 0.00 N ATOM 0 H LYS A 28 0.448 6.329 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 28 2.134 6.149 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.677 8.206 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.271 8.630 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.641 8.705 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.950 8.445 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.833 10.560 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.898 10.712 -2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.573 10.514 -3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.670 11.978 -3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.043 12.228 -1.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.400 12.326 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.275 10.907 -1.118 1.00 0.00 H new ATOM 463 N TYR A 29 4.259 6.441 -1.572 1.00 0.00 N ATOM 464 CA TYR A 29 5.487 6.416 -0.725 1.00 0.00 C ATOM 465 C TYR A 29 6.680 6.914 -1.560 1.00 0.00 C ATOM 466 O TYR A 29 6.530 7.268 -2.713 1.00 0.00 O ATOM 467 CB TYR A 29 5.735 4.995 -0.204 1.00 0.00 C ATOM 468 CG TYR A 29 6.350 4.139 -1.287 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.622 3.851 -2.446 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.646 3.634 -1.129 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.190 3.058 -3.450 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.213 2.841 -2.129 1.00 0.00 C ATOM 473 CZ TYR A 29 7.486 2.553 -3.291 1.00 0.00 C ATOM 474 OH TYR A 29 8.049 1.770 -4.278 1.00 0.00 O ATOM 0 H TYR A 29 4.424 6.323 -2.572 1.00 0.00 H new ATOM 0 HA TYR A 29 5.360 7.071 0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.396 5.028 0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.796 4.553 0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.622 4.240 -2.566 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.207 3.858 -0.234 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.629 2.836 -4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.212 2.450 -2.006 1.00 0.00 H new ATOM 0 HH TYR A 29 8.718 2.292 -4.768 1.00 0.00 H new ATOM 484 N ILE A 30 7.856 6.942 -0.983 1.00 0.00 N ATOM 485 CA ILE A 30 9.073 7.415 -1.730 1.00 0.00 C ATOM 486 C ILE A 30 9.988 6.212 -2.009 1.00 0.00 C ATOM 487 O ILE A 30 10.097 5.314 -1.204 1.00 0.00 O ATOM 488 CB ILE A 30 9.802 8.476 -0.859 1.00 0.00 C ATOM 489 CG1 ILE A 30 9.319 9.887 -1.233 1.00 0.00 C ATOM 490 CG2 ILE A 30 11.328 8.409 -1.049 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.786 9.959 -1.194 1.00 0.00 C ATOM 0 H ILE A 30 8.031 6.656 -0.020 1.00 0.00 H new ATOM 0 HA ILE A 30 8.795 7.866 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 30 9.568 8.261 0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.741 10.617 -0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.676 10.148 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.806 9.164 -0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.687 7.421 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.573 8.594 -2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.462 10.965 -1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.370 9.243 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.436 9.720 -0.190 1.00 0.00 H new ATOM 503 N ASP A 31 10.655 6.204 -3.138 1.00 0.00 N ATOM 504 CA ASP A 31 11.581 5.075 -3.461 1.00 0.00 C ATOM 505 C ASP A 31 12.946 5.320 -2.812 1.00 0.00 C ATOM 506 O ASP A 31 13.256 6.410 -2.373 1.00 0.00 O ATOM 507 CB ASP A 31 11.767 4.955 -4.977 1.00 0.00 C ATOM 508 CG ASP A 31 10.474 4.450 -5.618 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.585 4.062 -4.882 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.402 4.450 -6.834 1.00 0.00 O ATOM 0 H ASP A 31 10.597 6.932 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 31 11.147 4.152 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.038 5.923 -5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.586 4.271 -5.199 1.00 0.00 H new ATOM 515 N SER A 32 13.764 4.305 -2.761 1.00 0.00 N ATOM 516 CA SER A 32 15.123 4.440 -2.153 1.00 0.00 C ATOM 517 C SER A 32 15.921 5.509 -2.896 1.00 0.00 C ATOM 518 O SER A 32 17.068 5.762 -2.587 1.00 0.00 O ATOM 519 CB SER A 32 15.855 3.102 -2.270 1.00 0.00 C ATOM 520 OG SER A 32 15.031 2.070 -1.747 1.00 0.00 O ATOM 0 H SER A 32 13.548 3.375 -3.119 1.00 0.00 H new ATOM 0 HA SER A 32 15.024 4.726 -1.106 1.00 0.00 H new ATOM 0 HB2 SER A 32 16.097 2.897 -3.313 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.798 3.141 -1.725 1.00 0.00 H new ATOM 0 HG SER A 32 15.496 1.211 -1.822 1.00 0.00 H new ATOM 526 N PHE A 33 15.336 6.107 -3.901 1.00 0.00 N ATOM 527 CA PHE A 33 16.057 7.133 -4.710 1.00 0.00 C ATOM 528 C PHE A 33 15.494 8.536 -4.425 1.00 0.00 C ATOM 529 O PHE A 33 16.105 9.531 -4.756 1.00 0.00 O ATOM 530 CB PHE A 33 15.881 6.767 -6.182 1.00 0.00 C ATOM 531 CG PHE A 33 16.505 5.403 -6.441 1.00 0.00 C ATOM 532 CD1 PHE A 33 15.914 4.234 -5.922 1.00 0.00 C ATOM 533 CD2 PHE A 33 17.672 5.306 -7.212 1.00 0.00 C ATOM 534 CE1 PHE A 33 16.491 2.984 -6.177 1.00 0.00 C ATOM 535 CE2 PHE A 33 18.248 4.054 -7.463 1.00 0.00 C ATOM 536 CZ PHE A 33 17.657 2.894 -6.946 1.00 0.00 C ATOM 0 H PHE A 33 14.377 5.925 -4.199 1.00 0.00 H new ATOM 0 HA PHE A 33 17.115 7.150 -4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.822 6.750 -6.440 1.00 0.00 H new ATOM 0 HB3 PHE A 33 16.351 7.520 -6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 33 15.015 4.302 -5.327 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.128 6.199 -7.613 1.00 0.00 H new ATOM 0 HE1 PHE A 33 16.036 2.089 -5.780 1.00 0.00 H new ATOM 0 HE2 PHE A 33 19.148 3.983 -8.055 1.00 0.00 H new ATOM 0 HZ PHE A 33 18.101 1.929 -7.141 1.00 0.00 H new ATOM 546 N GLY A 34 14.348 8.625 -3.788 1.00 0.00 N ATOM 547 CA GLY A 34 13.763 9.967 -3.452 1.00 0.00 C ATOM 548 C GLY A 34 12.615 10.314 -4.401 1.00 0.00 C ATOM 549 O GLY A 34 11.910 11.282 -4.201 1.00 0.00 O ATOM 0 H GLY A 34 13.791 7.826 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.402 9.964 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.537 10.732 -3.516 1.00 0.00 H new ATOM 553 N GLU A 35 12.413 9.542 -5.432 1.00 0.00 N ATOM 554 CA GLU A 35 11.302 9.854 -6.378 1.00 0.00 C ATOM 555 C GLU A 35 9.980 9.316 -5.799 1.00 0.00 C ATOM 556 O GLU A 35 9.986 8.335 -5.085 1.00 0.00 O ATOM 557 CB GLU A 35 11.600 9.192 -7.730 1.00 0.00 C ATOM 558 CG GLU A 35 11.795 7.684 -7.553 1.00 0.00 C ATOM 559 CD GLU A 35 11.815 7.004 -8.924 1.00 0.00 C ATOM 560 OE1 GLU A 35 11.358 7.617 -9.873 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.288 5.881 -9.001 1.00 0.00 O ATOM 0 H GLU A 35 12.964 8.714 -5.661 1.00 0.00 H new ATOM 0 HA GLU A 35 11.214 10.931 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.780 9.380 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.496 9.632 -8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.728 7.487 -7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.991 7.272 -6.943 1.00 0.00 H new ATOM 568 N PRO A 36 8.854 9.940 -6.091 1.00 0.00 N ATOM 569 CA PRO A 36 7.525 9.479 -5.576 1.00 0.00 C ATOM 570 C PRO A 36 6.912 8.362 -6.435 1.00 0.00 C ATOM 571 O PRO A 36 7.036 8.357 -7.645 1.00 0.00 O ATOM 572 CB PRO A 36 6.673 10.741 -5.673 1.00 0.00 C ATOM 573 CG PRO A 36 7.189 11.422 -6.898 1.00 0.00 C ATOM 574 CD PRO A 36 8.701 11.150 -6.929 1.00 0.00 C ATOM 0 HA PRO A 36 7.598 9.056 -4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.613 10.503 -5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.784 11.369 -4.789 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.704 11.034 -7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.986 12.492 -6.864 1.00 0.00 H new ATOM 0 HD2 PRO A 36 9.057 10.982 -7.945 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.268 11.990 -6.528 1.00 0.00 H new ATOM 582 N GLN A 37 6.243 7.420 -5.816 1.00 0.00 N ATOM 583 CA GLN A 37 5.602 6.302 -6.587 1.00 0.00 C ATOM 584 C GLN A 37 4.239 5.990 -5.958 1.00 0.00 C ATOM 585 O GLN A 37 3.883 6.531 -4.930 1.00 0.00 O ATOM 586 CB GLN A 37 6.492 5.043 -6.544 1.00 0.00 C ATOM 587 CG GLN A 37 7.557 5.102 -7.648 1.00 0.00 C ATOM 588 CD GLN A 37 8.555 6.220 -7.356 1.00 0.00 C ATOM 589 OE1 GLN A 37 9.128 6.786 -8.267 1.00 0.00 O ATOM 590 NE2 GLN A 37 8.787 6.568 -6.118 1.00 0.00 N ATOM 0 H GLN A 37 6.111 7.375 -4.806 1.00 0.00 H new ATOM 0 HA GLN A 37 5.476 6.603 -7.627 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.974 4.964 -5.569 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.878 4.151 -6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 37 8.078 4.147 -7.713 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.081 5.272 -8.614 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.305 6.092 -5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.450 7.316 -5.914 1.00 0.00 H new ATOM 599 N PHE A 38 3.472 5.126 -6.577 1.00 0.00 N ATOM 600 CA PHE A 38 2.123 4.776 -6.031 1.00 0.00 C ATOM 601 C PHE A 38 1.892 3.262 -6.146 1.00 0.00 C ATOM 602 O PHE A 38 2.464 2.601 -6.991 1.00 0.00 O ATOM 603 CB PHE A 38 1.056 5.502 -6.850 1.00 0.00 C ATOM 604 CG PHE A 38 1.192 6.999 -6.680 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.104 7.720 -7.464 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.394 7.667 -5.746 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.216 9.108 -7.311 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.508 9.054 -5.591 1.00 0.00 C ATOM 609 CZ PHE A 38 1.417 9.775 -6.374 1.00 0.00 C ATOM 0 H PHE A 38 3.723 4.646 -7.441 1.00 0.00 H new ATOM 0 HA PHE A 38 2.066 5.073 -4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.154 5.238 -7.903 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.064 5.182 -6.532 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.720 7.205 -8.186 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.311 7.113 -5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.918 9.663 -7.915 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.106 9.568 -4.866 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.502 10.845 -6.256 1.00 0.00 H new ATOM 619 N VAL A 39 1.054 2.714 -5.297 1.00 0.00 N ATOM 620 CA VAL A 39 0.765 1.242 -5.335 1.00 0.00 C ATOM 621 C VAL A 39 -0.760 1.025 -5.374 1.00 0.00 C ATOM 622 O VAL A 39 -1.511 1.753 -4.761 1.00 0.00 O ATOM 623 CB VAL A 39 1.342 0.603 -4.063 1.00 0.00 C ATOM 624 CG1 VAL A 39 2.835 0.313 -4.252 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.154 1.563 -2.883 1.00 0.00 C ATOM 0 H VAL A 39 0.553 3.228 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 39 1.215 0.789 -6.219 1.00 0.00 H new ATOM 0 HB VAL A 39 0.820 -0.333 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.235 -0.140 -3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.969 -0.372 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.364 1.244 -4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.563 1.112 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.674 2.499 -3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.092 1.762 -2.741 1.00 0.00 H new ATOM 635 N TYR A 40 -1.217 0.026 -6.094 1.00 0.00 N ATOM 636 CA TYR A 40 -2.692 -0.249 -6.193 1.00 0.00 C ATOM 637 C TYR A 40 -3.001 -1.675 -5.722 1.00 0.00 C ATOM 638 O TYR A 40 -2.218 -2.583 -5.915 1.00 0.00 O ATOM 639 CB TYR A 40 -3.122 -0.146 -7.658 1.00 0.00 C ATOM 640 CG TYR A 40 -2.941 1.263 -8.170 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.659 1.750 -8.460 1.00 0.00 C ATOM 642 CD2 TYR A 40 -4.061 2.074 -8.379 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.503 3.050 -8.959 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.908 3.369 -8.872 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.627 3.861 -9.167 1.00 0.00 C ATOM 646 OH TYR A 40 -2.471 5.140 -9.663 1.00 0.00 O ATOM 0 H TYR A 40 -0.628 -0.617 -6.623 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.222 0.473 -5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.535 -0.836 -8.264 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.166 -0.443 -7.757 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.793 1.125 -8.299 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.048 1.696 -8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.516 3.427 -9.183 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.775 3.994 -9.027 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.349 5.567 -9.749 1.00 0.00 H new ATOM 656 N SER A 41 -4.153 -1.887 -5.135 1.00 0.00 N ATOM 657 CA SER A 41 -4.517 -3.267 -4.687 1.00 0.00 C ATOM 658 C SER A 41 -5.981 -3.298 -4.228 1.00 0.00 C ATOM 659 O SER A 41 -6.519 -2.308 -3.775 1.00 0.00 O ATOM 660 CB SER A 41 -3.606 -3.701 -3.540 1.00 0.00 C ATOM 661 OG SER A 41 -3.940 -5.027 -3.155 1.00 0.00 O ATOM 0 H SER A 41 -4.853 -1.169 -4.948 1.00 0.00 H new ATOM 0 HA SER A 41 -4.390 -3.955 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.562 -3.651 -3.850 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.720 -3.024 -2.693 1.00 0.00 H new ATOM 0 HG SER A 41 -3.373 -5.661 -3.641 1.00 0.00 H new ATOM 667 N TRP A 42 -6.633 -4.426 -4.360 1.00 0.00 N ATOM 668 CA TRP A 42 -8.065 -4.532 -3.953 1.00 0.00 C ATOM 669 C TRP A 42 -8.171 -5.061 -2.516 1.00 0.00 C ATOM 670 O TRP A 42 -9.243 -5.410 -2.061 1.00 0.00 O ATOM 671 CB TRP A 42 -8.771 -5.510 -4.888 1.00 0.00 C ATOM 672 CG TRP A 42 -8.633 -5.053 -6.297 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.574 -5.315 -7.090 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.568 -4.273 -7.101 1.00 0.00 C ATOM 675 NE1 TRP A 42 -7.793 -4.747 -8.327 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.007 -4.093 -8.386 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.832 -3.709 -6.847 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -9.673 -3.381 -9.383 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.505 -2.990 -7.849 1.00 0.00 C ATOM 680 CH2 TRP A 42 -10.927 -2.827 -9.115 1.00 0.00 C ATOM 0 H TRP A 42 -6.230 -5.284 -4.736 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.526 -3.546 -4.008 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.343 -6.506 -4.776 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.825 -5.584 -4.622 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.698 -5.878 -6.803 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.136 -4.803 -9.105 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.288 -3.830 -5.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.222 -3.259 -10.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.474 -2.560 -7.642 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.450 -2.274 -9.882 1.00 0.00 H new ATOM 691 N LYS A 43 -7.070 -5.135 -1.805 1.00 0.00 N ATOM 692 CA LYS A 43 -7.102 -5.659 -0.399 1.00 0.00 C ATOM 693 C LYS A 43 -6.441 -4.659 0.553 1.00 0.00 C ATOM 694 O LYS A 43 -5.414 -4.083 0.256 1.00 0.00 O ATOM 695 CB LYS A 43 -6.319 -6.977 -0.339 1.00 0.00 C ATOM 696 CG LYS A 43 -7.050 -8.055 -1.146 1.00 0.00 C ATOM 697 CD LYS A 43 -6.521 -9.445 -0.765 1.00 0.00 C ATOM 698 CE LYS A 43 -5.075 -9.605 -1.246 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.711 -11.052 -1.236 1.00 0.00 N ATOM 0 H LYS A 43 -6.148 -4.855 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.139 -5.813 -0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.314 -6.832 -0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.209 -7.298 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.122 -8.000 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.907 -7.882 -2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.570 -9.578 0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.149 -10.217 -1.210 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.966 -9.198 -2.251 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.400 -9.044 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.706 -11.159 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.881 -11.446 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.292 -11.561 -1.932 1.00 0.00 H new ATOM 713 N LEU A 44 -7.019 -4.464 1.711 1.00 0.00 N ATOM 714 CA LEU A 44 -6.426 -3.521 2.709 1.00 0.00 C ATOM 715 C LEU A 44 -5.521 -4.321 3.646 1.00 0.00 C ATOM 716 O LEU A 44 -4.415 -3.922 3.946 1.00 0.00 O ATOM 717 CB LEU A 44 -7.553 -2.847 3.506 1.00 0.00 C ATOM 718 CG LEU A 44 -6.985 -2.094 4.717 1.00 0.00 C ATOM 719 CD1 LEU A 44 -5.889 -1.116 4.272 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.118 -1.326 5.406 1.00 0.00 C ATOM 0 H LEU A 44 -7.881 -4.920 2.010 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.844 -2.748 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.096 -2.155 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.268 -3.598 3.841 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.548 -2.810 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.496 -0.590 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.084 -1.668 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.308 -0.395 3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.722 -0.788 6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.555 -0.615 4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.884 -2.027 5.737 1.00 0.00 H new ATOM 732 N VAL A 45 -5.988 -5.460 4.092 1.00 0.00 N ATOM 733 CA VAL A 45 -5.175 -6.331 5.002 1.00 0.00 C ATOM 734 C VAL A 45 -4.957 -7.680 4.310 1.00 0.00 C ATOM 735 O VAL A 45 -5.602 -7.997 3.330 1.00 0.00 O ATOM 736 CB VAL A 45 -5.928 -6.563 6.327 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.684 -5.394 7.288 1.00 0.00 C ATOM 738 CG2 VAL A 45 -7.429 -6.689 6.046 1.00 0.00 C ATOM 0 H VAL A 45 -6.910 -5.830 3.862 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.222 -5.848 5.216 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.561 -7.481 6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.221 -5.571 8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.617 -5.310 7.495 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.040 -4.469 6.834 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.962 -6.853 6.983 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.790 -5.773 5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.604 -7.531 5.376 1.00 0.00 H new ATOM 748 N ALA A 46 -4.059 -8.473 4.810 1.00 0.00 N ATOM 749 CA ALA A 46 -3.799 -9.801 4.177 1.00 0.00 C ATOM 750 C ALA A 46 -5.010 -10.732 4.353 1.00 0.00 C ATOM 751 O ALA A 46 -5.100 -11.763 3.717 1.00 0.00 O ATOM 752 CB ALA A 46 -2.565 -10.436 4.827 1.00 0.00 C ATOM 0 H ALA A 46 -3.490 -8.264 5.630 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.626 -9.656 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.371 -11.406 4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.702 -9.786 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.743 -10.568 5.894 1.00 0.00 H new ATOM 758 N THR A 47 -5.932 -10.399 5.222 1.00 0.00 N ATOM 759 CA THR A 47 -7.114 -11.295 5.438 1.00 0.00 C ATOM 760 C THR A 47 -8.269 -10.932 4.494 1.00 0.00 C ATOM 761 O THR A 47 -9.270 -11.619 4.441 1.00 0.00 O ATOM 762 CB THR A 47 -7.577 -11.170 6.891 1.00 0.00 C ATOM 763 OG1 THR A 47 -7.894 -9.814 7.173 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.456 -11.642 7.817 1.00 0.00 C ATOM 0 H THR A 47 -5.920 -9.551 5.789 1.00 0.00 H new ATOM 0 HA THR A 47 -6.816 -12.321 5.224 1.00 0.00 H new ATOM 0 HB THR A 47 -8.463 -11.785 7.049 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.192 -9.734 8.103 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.780 -11.555 8.854 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.217 -12.682 7.597 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.571 -11.025 7.661 1.00 0.00 H new ATOM 772 N ASP A 48 -8.149 -9.872 3.744 1.00 0.00 N ATOM 773 CA ASP A 48 -9.253 -9.498 2.806 1.00 0.00 C ATOM 774 C ASP A 48 -9.302 -10.505 1.648 1.00 0.00 C ATOM 775 O ASP A 48 -8.349 -11.216 1.397 1.00 0.00 O ATOM 776 CB ASP A 48 -9.011 -8.088 2.261 1.00 0.00 C ATOM 777 CG ASP A 48 -9.393 -7.050 3.320 1.00 0.00 C ATOM 778 OD1 ASP A 48 -9.799 -7.455 4.398 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.278 -5.872 3.034 1.00 0.00 O ATOM 0 H ASP A 48 -7.341 -9.250 3.737 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.204 -9.515 3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.963 -7.970 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.599 -7.932 1.357 1.00 0.00 H new ATOM 784 N ARG A 49 -10.414 -10.582 0.951 1.00 0.00 N ATOM 785 CA ARG A 49 -10.550 -11.556 -0.187 1.00 0.00 C ATOM 786 C ARG A 49 -11.052 -10.800 -1.435 1.00 0.00 C ATOM 787 O ARG A 49 -12.053 -10.114 -1.391 1.00 0.00 O ATOM 788 CB ARG A 49 -11.564 -12.646 0.241 1.00 0.00 C ATOM 789 CG ARG A 49 -11.162 -14.033 -0.287 1.00 0.00 C ATOM 790 CD ARG A 49 -11.389 -14.105 -1.795 1.00 0.00 C ATOM 791 NE ARG A 49 -10.979 -15.449 -2.289 1.00 0.00 N ATOM 792 CZ ARG A 49 -11.377 -15.864 -3.460 1.00 0.00 C ATOM 793 NH1 ARG A 49 -12.185 -15.131 -4.176 1.00 0.00 N ATOM 794 NH2 ARG A 49 -10.978 -17.021 -3.909 1.00 0.00 N ATOM 0 H ARG A 49 -11.240 -10.008 1.122 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.595 -12.022 -0.428 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.630 -12.675 1.329 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.555 -12.388 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.114 -14.228 -0.059 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.746 -14.805 0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.439 -13.924 -2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.814 -13.328 -2.299 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.387 -16.045 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.507 -14.231 -3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.494 -15.458 -5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.356 -17.600 -3.345 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.288 -17.347 -4.824 1.00 0.00 H new ATOM 808 N VAL A 50 -10.358 -10.910 -2.545 1.00 0.00 N ATOM 809 CA VAL A 50 -10.789 -10.185 -3.779 1.00 0.00 C ATOM 810 C VAL A 50 -11.948 -10.937 -4.454 1.00 0.00 C ATOM 811 O VAL A 50 -12.026 -12.146 -4.375 1.00 0.00 O ATOM 812 CB VAL A 50 -9.617 -10.122 -4.767 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.424 -9.424 -4.125 1.00 0.00 C ATOM 814 CG2 VAL A 50 -9.214 -11.541 -5.180 1.00 0.00 C ATOM 0 H VAL A 50 -9.512 -11.471 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.110 -9.181 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.929 -9.559 -5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.599 -9.386 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.705 -8.410 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.113 -9.976 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.381 -11.493 -5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.913 -12.105 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.061 -12.036 -5.655 1.00 0.00 H new ATOM 824 N PRO A 51 -12.833 -10.237 -5.141 1.00 0.00 N ATOM 825 CA PRO A 51 -13.973 -10.889 -5.851 1.00 0.00 C ATOM 826 C PRO A 51 -13.464 -11.742 -7.022 1.00 0.00 C ATOM 827 O PRO A 51 -12.433 -11.461 -7.599 1.00 0.00 O ATOM 828 CB PRO A 51 -14.827 -9.711 -6.356 1.00 0.00 C ATOM 829 CG PRO A 51 -13.888 -8.547 -6.417 1.00 0.00 C ATOM 830 CD PRO A 51 -12.856 -8.770 -5.309 1.00 0.00 C ATOM 0 HA PRO A 51 -14.538 -11.564 -5.208 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.254 -9.925 -7.336 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.660 -9.511 -5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.405 -8.488 -7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.422 -7.608 -6.268 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.876 -8.384 -5.591 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -13.144 -8.266 -4.386 1.00 0.00 H new ATOM 838 N ALA A 52 -14.173 -12.781 -7.371 1.00 0.00 N ATOM 839 CA ALA A 52 -13.723 -13.649 -8.501 1.00 0.00 C ATOM 840 C ALA A 52 -13.283 -12.779 -9.682 1.00 0.00 C ATOM 841 O ALA A 52 -13.657 -11.628 -9.789 1.00 0.00 O ATOM 842 CB ALA A 52 -14.872 -14.557 -8.942 1.00 0.00 C ATOM 0 H ALA A 52 -15.044 -13.068 -6.924 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.883 -14.259 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.541 -15.189 -9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.182 -15.184 -8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.714 -13.946 -9.269 1.00 0.00 H new ATOM 848 N GLY A 53 -12.498 -13.321 -10.572 1.00 0.00 N ATOM 849 CA GLY A 53 -12.042 -12.530 -11.752 1.00 0.00 C ATOM 850 C GLY A 53 -10.745 -11.785 -11.423 1.00 0.00 C ATOM 851 O GLY A 53 -9.880 -11.640 -12.264 1.00 0.00 O ATOM 0 H GLY A 53 -12.151 -14.280 -10.534 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.883 -13.192 -12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.815 -11.818 -12.042 1.00 0.00 H new ATOM 855 N LYS A 54 -10.597 -11.301 -10.215 1.00 0.00 N ATOM 856 CA LYS A 54 -9.353 -10.562 -9.854 1.00 0.00 C ATOM 857 C LYS A 54 -8.359 -11.520 -9.193 1.00 0.00 C ATOM 858 O LYS A 54 -8.720 -12.330 -8.363 1.00 0.00 O ATOM 859 CB LYS A 54 -9.705 -9.452 -8.867 1.00 0.00 C ATOM 860 CG LYS A 54 -10.845 -8.586 -9.419 1.00 0.00 C ATOM 861 CD LYS A 54 -10.492 -8.061 -10.819 1.00 0.00 C ATOM 862 CE LYS A 54 -11.363 -6.839 -11.138 1.00 0.00 C ATOM 863 NZ LYS A 54 -11.234 -6.491 -12.580 1.00 0.00 N ATOM 0 H LYS A 54 -11.284 -11.387 -9.466 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.906 -10.138 -10.753 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.000 -9.886 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.828 -8.833 -8.679 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.764 -9.170 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.032 -7.749 -8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.437 -7.791 -10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.653 -8.841 -11.563 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -12.405 -7.051 -10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.059 -5.993 -10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.826 -5.662 -12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.241 -6.271 -12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.545 -7.296 -13.161 1.00 0.00 H new ATOM 877 N ARG A 55 -7.107 -11.434 -9.552 1.00 0.00 N ATOM 878 CA ARG A 55 -6.087 -12.335 -8.940 1.00 0.00 C ATOM 879 C ARG A 55 -5.686 -11.800 -7.561 1.00 0.00 C ATOM 880 O ARG A 55 -5.712 -10.610 -7.313 1.00 0.00 O ATOM 881 CB ARG A 55 -4.855 -12.405 -9.861 1.00 0.00 C ATOM 882 CG ARG A 55 -5.066 -13.470 -10.958 1.00 0.00 C ATOM 883 CD ARG A 55 -4.781 -14.885 -10.416 1.00 0.00 C ATOM 884 NE ARG A 55 -6.019 -15.440 -9.794 1.00 0.00 N ATOM 885 CZ ARG A 55 -6.066 -16.694 -9.442 1.00 0.00 C ATOM 886 NH1 ARG A 55 -5.029 -17.463 -9.643 1.00 0.00 N ATOM 887 NH2 ARG A 55 -7.144 -17.178 -8.885 1.00 0.00 N ATOM 0 H ARG A 55 -6.745 -10.778 -10.244 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.504 -13.335 -8.820 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.679 -11.432 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.968 -12.647 -9.275 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -6.090 -13.418 -11.328 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.410 -13.261 -11.803 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.445 -15.534 -11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.977 -14.849 -9.681 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.828 -14.838 -9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.187 -17.081 -10.074 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.062 -18.445 -9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.950 -16.574 -8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.179 -18.160 -8.610 1.00 0.00 H new ATOM 901 N ASP A 56 -5.309 -12.673 -6.664 1.00 0.00 N ATOM 902 CA ASP A 56 -4.902 -12.222 -5.303 1.00 0.00 C ATOM 903 C ASP A 56 -3.840 -11.126 -5.430 1.00 0.00 C ATOM 904 O ASP A 56 -3.413 -10.790 -6.517 1.00 0.00 O ATOM 905 CB ASP A 56 -4.323 -13.405 -4.522 1.00 0.00 C ATOM 906 CG ASP A 56 -5.442 -14.389 -4.172 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.576 -13.955 -4.074 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.142 -15.560 -4.003 1.00 0.00 O ATOM 0 H ASP A 56 -5.266 -13.681 -6.817 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.771 -11.831 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.558 -13.905 -5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.839 -13.051 -3.612 1.00 0.00 H new ATOM 913 N CYS A 57 -3.417 -10.562 -4.330 1.00 0.00 N ATOM 914 CA CYS A 57 -2.392 -9.486 -4.386 1.00 0.00 C ATOM 915 C CYS A 57 -1.879 -9.217 -2.972 1.00 0.00 C ATOM 916 O CYS A 57 -2.426 -9.701 -2.002 1.00 0.00 O ATOM 917 CB CYS A 57 -3.016 -8.211 -4.960 1.00 0.00 C ATOM 918 SG CYS A 57 -1.738 -6.941 -5.147 1.00 0.00 S ATOM 0 H CYS A 57 -3.740 -10.803 -3.393 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.565 -9.796 -5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.477 -8.422 -5.925 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.806 -7.852 -4.301 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.269 -5.860 -5.636 1.00 0.00 H new ATOM 924 N ILE A 58 -0.833 -8.453 -2.846 1.00 0.00 N ATOM 925 CA ILE A 58 -0.279 -8.157 -1.493 1.00 0.00 C ATOM 926 C ILE A 58 -1.041 -6.981 -0.877 1.00 0.00 C ATOM 927 O ILE A 58 -1.105 -5.907 -1.443 1.00 0.00 O ATOM 928 CB ILE A 58 1.204 -7.796 -1.629 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.966 -8.939 -2.346 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.801 -7.535 -0.242 1.00 0.00 C ATOM 931 CD1 ILE A 58 2.335 -10.072 -1.376 1.00 0.00 C ATOM 0 H ILE A 58 -0.334 -8.018 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.386 -9.030 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 58 1.302 -6.891 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.350 -9.337 -3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.872 -8.542 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.856 -7.279 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.270 -6.710 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.702 -8.431 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.868 -10.854 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.972 -9.679 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.427 -10.487 -0.939 1.00 0.00 H new ATOM 943 N SER A 59 -1.619 -7.173 0.277 1.00 0.00 N ATOM 944 CA SER A 59 -2.376 -6.067 0.929 1.00 0.00 C ATOM 945 C SER A 59 -1.454 -4.868 1.161 1.00 0.00 C ATOM 946 O SER A 59 -0.246 -4.997 1.204 1.00 0.00 O ATOM 947 CB SER A 59 -2.922 -6.540 2.276 1.00 0.00 C ATOM 948 OG SER A 59 -1.835 -6.879 3.130 1.00 0.00 O ATOM 0 H SER A 59 -1.600 -8.050 0.798 1.00 0.00 H new ATOM 0 HA SER A 59 -3.200 -5.774 0.278 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.527 -5.756 2.732 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.572 -7.403 2.135 1.00 0.00 H new ATOM 0 HG SER A 59 -2.137 -6.871 4.062 1.00 0.00 H new ATOM 954 N LEU A 60 -2.026 -3.706 1.318 1.00 0.00 N ATOM 955 CA LEU A 60 -1.213 -2.485 1.556 1.00 0.00 C ATOM 956 C LEU A 60 -0.291 -2.710 2.770 1.00 0.00 C ATOM 957 O LEU A 60 0.898 -2.464 2.712 1.00 0.00 O ATOM 958 CB LEU A 60 -2.177 -1.315 1.848 1.00 0.00 C ATOM 959 CG LEU A 60 -2.688 -0.658 0.548 1.00 0.00 C ATOM 960 CD1 LEU A 60 -1.605 0.221 -0.086 1.00 0.00 C ATOM 961 CD2 LEU A 60 -3.127 -1.727 -0.455 1.00 0.00 C ATOM 0 H LEU A 60 -3.034 -3.551 1.291 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.600 -2.261 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.024 -1.678 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.669 -0.568 2.458 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.542 -0.032 0.806 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.991 0.672 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.319 1.007 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.733 -0.389 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.484 -1.247 -1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.281 -2.372 -0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.929 -2.325 -0.022 1.00 0.00 H new ATOM 973 N ARG A 61 -0.828 -3.172 3.867 1.00 0.00 N ATOM 974 CA ARG A 61 0.018 -3.390 5.080 1.00 0.00 C ATOM 975 C ARG A 61 1.252 -4.229 4.721 1.00 0.00 C ATOM 976 O ARG A 61 2.360 -3.904 5.098 1.00 0.00 O ATOM 977 CB ARG A 61 -0.796 -4.115 6.176 1.00 0.00 C ATOM 978 CG ARG A 61 -1.697 -3.135 6.959 1.00 0.00 C ATOM 979 CD ARG A 61 -2.967 -2.827 6.165 1.00 0.00 C ATOM 980 NE ARG A 61 -3.695 -1.671 6.788 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.086 -1.685 8.041 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.001 -2.773 8.758 1.00 0.00 N ATOM 983 NH2 ARG A 61 -4.613 -0.610 8.562 1.00 0.00 N ATOM 0 H ARG A 61 -1.814 -3.408 3.977 1.00 0.00 H new ATOM 0 HA ARG A 61 0.340 -2.419 5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.412 -4.890 5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.115 -4.614 6.866 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.960 -3.566 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.153 -2.212 7.159 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.712 -2.592 5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.613 -3.705 6.142 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.892 -0.848 6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.627 -3.628 8.346 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.309 -2.768 9.730 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.718 0.232 7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.919 -0.612 9.535 1.00 0.00 H new ATOM 997 N GLU A 62 1.077 -5.311 4.015 1.00 0.00 N ATOM 998 CA GLU A 62 2.251 -6.165 3.664 1.00 0.00 C ATOM 999 C GLU A 62 3.145 -5.468 2.627 1.00 0.00 C ATOM 1000 O GLU A 62 4.357 -5.485 2.734 1.00 0.00 O ATOM 1001 CB GLU A 62 1.753 -7.503 3.105 1.00 0.00 C ATOM 1002 CG GLU A 62 1.242 -8.382 4.253 1.00 0.00 C ATOM 1003 CD GLU A 62 2.431 -8.965 5.020 1.00 0.00 C ATOM 1004 OE1 GLU A 62 3.181 -9.723 4.427 1.00 0.00 O ATOM 1005 OE2 GLU A 62 2.573 -8.643 6.190 1.00 0.00 O ATOM 0 H GLU A 62 0.177 -5.642 3.666 1.00 0.00 H new ATOM 0 HA GLU A 62 2.842 -6.336 4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.956 -7.332 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.560 -8.011 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.616 -7.794 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.620 -9.186 3.860 1.00 0.00 H new ATOM 1012 N LYS A 63 2.575 -4.868 1.617 1.00 0.00 N ATOM 1013 CA LYS A 63 3.426 -4.201 0.587 1.00 0.00 C ATOM 1014 C LYS A 63 4.161 -3.014 1.215 1.00 0.00 C ATOM 1015 O LYS A 63 5.323 -2.781 0.949 1.00 0.00 O ATOM 1016 CB LYS A 63 2.561 -3.708 -0.580 1.00 0.00 C ATOM 1017 CG LYS A 63 3.469 -3.363 -1.762 1.00 0.00 C ATOM 1018 CD LYS A 63 2.633 -2.833 -2.932 1.00 0.00 C ATOM 1019 CE LYS A 63 1.642 -3.905 -3.406 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.311 -3.672 -4.841 1.00 0.00 N ATOM 0 H LYS A 63 1.569 -4.810 1.460 1.00 0.00 H new ATOM 0 HA LYS A 63 4.151 -4.922 0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.844 -4.477 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.986 -2.832 -0.279 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.202 -2.615 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.025 -4.247 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.092 -1.938 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.288 -2.544 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.074 -4.898 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.735 -3.871 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.640 -4.397 -5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.883 -2.730 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.179 -3.726 -5.411 1.00 0.00 H new ATOM 1034 N ILE A 64 3.493 -2.258 2.040 1.00 0.00 N ATOM 1035 CA ILE A 64 4.148 -1.082 2.681 1.00 0.00 C ATOM 1036 C ILE A 64 5.340 -1.557 3.519 1.00 0.00 C ATOM 1037 O ILE A 64 6.354 -0.894 3.598 1.00 0.00 O ATOM 1038 CB ILE A 64 3.105 -0.334 3.560 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.395 0.758 2.739 1.00 0.00 C ATOM 1040 CG2 ILE A 64 3.763 0.317 4.786 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.445 0.118 1.734 1.00 0.00 C ATOM 0 H ILE A 64 2.517 -2.404 2.300 1.00 0.00 H new ATOM 0 HA ILE A 64 4.518 -0.394 1.921 1.00 0.00 H new ATOM 0 HB ILE A 64 2.381 -1.074 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.842 1.422 3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.131 1.369 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.004 0.830 5.377 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.238 -0.452 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.514 1.035 4.457 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.947 0.897 1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.009 -0.528 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.699 -0.474 2.264 1.00 0.00 H new ATOM 1053 N ALA A 65 5.227 -2.684 4.152 1.00 0.00 N ATOM 1054 CA ALA A 65 6.355 -3.171 4.985 1.00 0.00 C ATOM 1055 C ALA A 65 7.622 -3.300 4.132 1.00 0.00 C ATOM 1056 O ALA A 65 8.673 -2.813 4.491 1.00 0.00 O ATOM 1057 CB ALA A 65 6.006 -4.538 5.573 1.00 0.00 C ATOM 0 H ALA A 65 4.406 -3.289 4.130 1.00 0.00 H new ATOM 0 HA ALA A 65 6.532 -2.457 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.835 -4.894 6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.112 -4.451 6.190 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.822 -5.245 4.765 1.00 0.00 H new ATOM 1063 N GLU A 66 7.543 -3.973 3.021 1.00 0.00 N ATOM 1064 CA GLU A 66 8.762 -4.161 2.174 1.00 0.00 C ATOM 1065 C GLU A 66 9.168 -2.875 1.435 1.00 0.00 C ATOM 1066 O GLU A 66 10.339 -2.574 1.319 1.00 0.00 O ATOM 1067 CB GLU A 66 8.489 -5.268 1.155 1.00 0.00 C ATOM 1068 CG GLU A 66 8.401 -6.610 1.886 1.00 0.00 C ATOM 1069 CD GLU A 66 7.870 -7.684 0.933 1.00 0.00 C ATOM 1070 OE1 GLU A 66 6.734 -7.557 0.509 1.00 0.00 O ATOM 1071 OE2 GLU A 66 8.610 -8.608 0.645 1.00 0.00 O ATOM 0 H GLU A 66 6.691 -4.402 2.659 1.00 0.00 H new ATOM 0 HA GLU A 66 9.588 -4.431 2.832 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.559 -5.068 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.284 -5.297 0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.384 -6.896 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.744 -6.521 2.751 1.00 0.00 H new ATOM 1078 N LEU A 67 8.239 -2.126 0.902 1.00 0.00 N ATOM 1079 CA LEU A 67 8.633 -0.893 0.144 1.00 0.00 C ATOM 1080 C LEU A 67 9.227 0.179 1.070 1.00 0.00 C ATOM 1081 O LEU A 67 10.204 0.808 0.731 1.00 0.00 O ATOM 1082 CB LEU A 67 7.404 -0.312 -0.581 1.00 0.00 C ATOM 1083 CG LEU A 67 7.152 -1.052 -1.909 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.833 -0.554 -2.524 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.320 -0.796 -2.903 1.00 0.00 C ATOM 0 H LEU A 67 7.237 -2.307 0.955 1.00 0.00 H new ATOM 0 HA LEU A 67 9.397 -1.180 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.526 -0.395 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.558 0.750 -0.775 1.00 0.00 H new ATOM 0 HG LEU A 67 7.089 -2.122 -1.713 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.650 -1.075 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.012 -0.752 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.900 0.518 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.127 -1.326 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.400 0.273 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.253 -1.155 -2.469 1.00 0.00 H new ATOM 1097 N GLN A 68 8.635 0.423 2.204 1.00 0.00 N ATOM 1098 CA GLN A 68 9.170 1.496 3.100 1.00 0.00 C ATOM 1099 C GLN A 68 10.528 1.099 3.711 1.00 0.00 C ATOM 1100 O GLN A 68 11.357 1.948 3.972 1.00 0.00 O ATOM 1101 CB GLN A 68 8.163 1.786 4.213 1.00 0.00 C ATOM 1102 CG GLN A 68 6.906 2.419 3.609 1.00 0.00 C ATOM 1103 CD GLN A 68 6.052 3.017 4.720 1.00 0.00 C ATOM 1104 OE1 GLN A 68 6.398 2.827 5.959 1.00 0.00 O flip ATOM 1105 NE2 GLN A 68 5.059 3.670 4.455 1.00 0.00 N flip ATOM 0 H GLN A 68 7.810 -0.067 2.551 1.00 0.00 H new ATOM 0 HA GLN A 68 9.324 2.392 2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.905 0.864 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.603 2.457 4.951 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.184 3.193 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.336 1.669 3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.790 3.817 3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.496 4.070 5.206 1.00 0.00 H new