USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= -0.0402 (180deg=-0.313) USER MOD Single : A 8 GLN : amide:sc= -0.0835 K(o=-0.083,f=-0.72) USER MOD Single : A 9 THR OG1 : rot 86:sc= 0.982 USER MOD Single : A 15 GLN :FLIP amide:sc= -0.199 F(o=-0.98,f=-0.2) USER MOD Single : A 18 GLN : amide:sc= -0.674 K(o=-0.67,f=-1.8) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0827) USER MOD Single : A 31 SER OG : rot 71:sc= 1.24 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.0064) USER MOD Single : A 48 GLN : amide:sc= 1.15 K(o=1.1,f=-0.13) USER MOD Single : A 52 ASN : amide:sc= -0.0702 X(o=-0.07,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0255 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.43) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 73 GLN : amide:sc= -0.0516 X(o=-0.052,f=-0.062) USER MOD Single : A 81 LYS NZ :NH3+ 165:sc= 2.39 (180deg=2.25) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 1.05 (180deg=1.05) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0498 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 96 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.74) USER MOD Single : A 99 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.96) USER MOD Single : A 100 LYS NZ :NH3+ 163:sc= -0.037 (180deg=-0.333) USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= -0.0698 (180deg=-0.393) USER MOD ----------------------------------------------------------------- ATOM 64 N LYS A 5 12.923 3.118 10.650 1.00 0.00 N ATOM 65 CA LYS A 5 12.829 2.237 9.483 1.00 0.00 C ATOM 66 C LYS A 5 11.367 1.949 9.159 1.00 0.00 C ATOM 67 O LYS A 5 10.956 1.955 7.993 1.00 0.00 O ATOM 68 CB LYS A 5 13.559 0.920 9.758 1.00 0.00 C ATOM 69 CG LYS A 5 14.979 1.097 10.267 1.00 0.00 C ATOM 70 CD LYS A 5 15.609 -0.237 10.645 1.00 0.00 C ATOM 71 CE LYS A 5 15.935 -1.077 9.419 1.00 0.00 C ATOM 72 NZ LYS A 5 16.975 -0.442 8.571 1.00 0.00 N ATOM 0 HA LYS A 5 13.294 2.736 8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.990 0.347 10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.583 0.331 8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.583 1.581 9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.976 1.757 11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.520 -0.059 11.216 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.929 -0.789 11.293 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.277 -2.063 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.030 -1.227 8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 17.386 -1.154 7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 16.546 0.320 8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 17.723 -0.047 9.176 1.00 0.00 H new ATOM 86 N LEU A 6 10.584 1.720 10.201 1.00 0.00 N ATOM 87 CA LEU A 6 9.167 1.448 10.052 1.00 0.00 C ATOM 88 C LEU A 6 8.427 2.721 9.667 1.00 0.00 C ATOM 89 O LEU A 6 7.509 2.694 8.851 1.00 0.00 O ATOM 90 CB LEU A 6 8.595 0.874 11.356 1.00 0.00 C ATOM 91 CG LEU A 6 7.101 0.529 11.341 1.00 0.00 C ATOM 92 CD1 LEU A 6 6.809 -0.577 10.336 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.634 0.128 12.733 1.00 0.00 C ATOM 0 H LEU A 6 10.912 1.718 11.167 1.00 0.00 H new ATOM 0 HA LEU A 6 9.033 0.711 9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.153 -0.028 11.608 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.773 1.593 12.155 1.00 0.00 H new ATOM 0 HG LEU A 6 6.549 1.417 11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.743 -0.804 10.344 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.103 -0.249 9.339 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.372 -1.471 10.605 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.571 -0.114 12.705 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.196 -0.744 13.068 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.800 0.954 13.424 1.00 0.00 H new ATOM 105 N ARG A 7 8.849 3.835 10.251 1.00 0.00 N ATOM 106 CA ARG A 7 8.234 5.123 9.982 1.00 0.00 C ATOM 107 C ARG A 7 8.412 5.517 8.522 1.00 0.00 C ATOM 108 O ARG A 7 7.458 5.919 7.874 1.00 0.00 O ATOM 109 CB ARG A 7 8.816 6.203 10.907 1.00 0.00 C ATOM 110 CG ARG A 7 8.301 7.617 10.635 1.00 0.00 C ATOM 111 CD ARG A 7 6.783 7.703 10.747 1.00 0.00 C ATOM 112 NE ARG A 7 6.301 9.068 10.527 1.00 0.00 N ATOM 113 CZ ARG A 7 5.235 9.393 9.787 1.00 0.00 C ATOM 114 NH1 ARG A 7 4.512 8.446 9.192 1.00 0.00 N ATOM 115 NH2 ARG A 7 4.895 10.669 9.649 1.00 0.00 N ATOM 0 H ARG A 7 9.620 3.869 10.918 1.00 0.00 H new ATOM 0 HA ARG A 7 7.166 5.036 10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.588 5.940 11.940 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.902 6.200 10.809 1.00 0.00 H new ATOM 0 HG2 ARG A 7 8.757 8.311 11.341 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.609 7.930 9.637 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.326 7.034 10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.471 7.361 11.734 1.00 0.00 H new ATOM 0 HE ARG A 7 6.817 9.828 10.971 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.770 7.465 9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.701 8.702 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.446 11.396 10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.083 10.922 9.086 1.00 0.00 H new ATOM 129 N GLN A 8 9.630 5.378 8.008 1.00 0.00 N ATOM 130 CA GLN A 8 9.914 5.735 6.617 1.00 0.00 C ATOM 131 C GLN A 8 9.127 4.844 5.668 1.00 0.00 C ATOM 132 O GLN A 8 8.514 5.323 4.718 1.00 0.00 O ATOM 133 CB GLN A 8 11.414 5.617 6.312 1.00 0.00 C ATOM 134 CG GLN A 8 12.308 6.436 7.230 1.00 0.00 C ATOM 135 CD GLN A 8 11.938 7.904 7.270 1.00 0.00 C ATOM 136 OE1 GLN A 8 11.443 8.464 6.295 1.00 0.00 O ATOM 137 NE2 GLN A 8 12.171 8.534 8.403 1.00 0.00 N ATOM 0 H GLN A 8 10.433 5.023 8.527 1.00 0.00 H new ATOM 0 HA GLN A 8 9.610 6.772 6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.705 4.569 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.589 5.929 5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 8 12.254 6.027 8.239 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.343 6.338 6.901 1.00 0.00 H new ATOM 0 HE21 GLN A 8 12.584 8.033 9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.939 9.523 8.494 1.00 0.00 H new ATOM 146 N THR A 9 9.128 3.551 5.952 1.00 0.00 N ATOM 147 CA THR A 9 8.427 2.585 5.129 1.00 0.00 C ATOM 148 C THR A 9 6.912 2.827 5.160 1.00 0.00 C ATOM 149 O THR A 9 6.255 2.849 4.118 1.00 0.00 O ATOM 150 CB THR A 9 8.734 1.147 5.597 1.00 0.00 C ATOM 151 OG1 THR A 9 10.148 0.902 5.519 1.00 0.00 O ATOM 152 CG2 THR A 9 7.992 0.125 4.746 1.00 0.00 C ATOM 0 H THR A 9 9.612 3.146 6.754 1.00 0.00 H new ATOM 0 HA THR A 9 8.777 2.709 4.104 1.00 0.00 H new ATOM 0 HB THR A 9 8.399 1.045 6.629 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.580 1.212 6.342 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.226 -0.880 5.097 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.918 0.296 4.825 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.299 0.226 3.705 1.00 0.00 H new ATOM 160 N GLY A 10 6.373 3.015 6.356 1.00 0.00 N ATOM 161 CA GLY A 10 4.952 3.243 6.505 1.00 0.00 C ATOM 162 C GLY A 10 4.506 4.569 5.927 1.00 0.00 C ATOM 163 O GLY A 10 3.468 4.648 5.269 1.00 0.00 O ATOM 0 H GLY A 10 6.899 3.013 7.230 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.406 2.437 6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.692 3.207 7.563 1.00 0.00 H new ATOM 167 N ASP A 11 5.299 5.610 6.157 1.00 0.00 N ATOM 168 CA ASP A 11 4.955 6.950 5.690 1.00 0.00 C ATOM 169 C ASP A 11 5.020 7.033 4.180 1.00 0.00 C ATOM 170 O ASP A 11 4.094 7.526 3.544 1.00 0.00 O ATOM 171 CB ASP A 11 5.884 7.990 6.313 1.00 0.00 C ATOM 172 CG ASP A 11 5.461 9.412 6.010 1.00 0.00 C ATOM 173 OD1 ASP A 11 4.342 9.798 6.398 1.00 0.00 O ATOM 174 OD2 ASP A 11 6.259 10.164 5.419 1.00 0.00 O1- ATOM 0 H ASP A 11 6.183 5.553 6.663 1.00 0.00 H new ATOM 0 HA ASP A 11 3.932 7.160 6.001 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.910 7.846 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.898 7.831 5.945 1.00 0.00 H new ATOM 179 N GLU A 12 6.098 6.516 3.601 1.00 0.00 N ATOM 180 CA GLU A 12 6.255 6.536 2.156 1.00 0.00 C ATOM 181 C GLU A 12 5.186 5.709 1.476 1.00 0.00 C ATOM 182 O GLU A 12 4.708 6.073 0.416 1.00 0.00 O ATOM 183 CB GLU A 12 7.645 6.068 1.731 1.00 0.00 C ATOM 184 CG GLU A 12 8.566 7.203 1.313 1.00 0.00 C ATOM 185 CD GLU A 12 8.006 8.005 0.150 1.00 0.00 C ATOM 186 OE1 GLU A 12 8.165 7.577 -1.009 1.00 0.00 O ATOM 187 OE2 GLU A 12 7.402 9.071 0.391 1.00 0.00 O1- ATOM 0 H GLU A 12 6.869 6.082 4.108 1.00 0.00 H new ATOM 0 HA GLU A 12 6.141 7.572 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.104 5.523 2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.546 5.367 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.730 7.866 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.538 6.795 1.035 1.00 0.00 H new ATOM 194 N LEU A 13 4.806 4.597 2.094 1.00 0.00 N ATOM 195 CA LEU A 13 3.774 3.738 1.532 1.00 0.00 C ATOM 196 C LEU A 13 2.460 4.507 1.398 1.00 0.00 C ATOM 197 O LEU A 13 1.837 4.504 0.339 1.00 0.00 O ATOM 198 CB LEU A 13 3.575 2.498 2.411 1.00 0.00 C ATOM 199 CG LEU A 13 2.584 1.453 1.888 1.00 0.00 C ATOM 200 CD1 LEU A 13 3.059 0.871 0.564 1.00 0.00 C ATOM 201 CD2 LEU A 13 2.384 0.349 2.915 1.00 0.00 C ATOM 0 H LEU A 13 5.195 4.271 2.979 1.00 0.00 H new ATOM 0 HA LEU A 13 4.093 3.415 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.543 2.015 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.241 2.825 3.395 1.00 0.00 H new ATOM 0 HG LEU A 13 1.627 1.946 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.339 0.132 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.149 1.669 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.030 0.395 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.677 -0.385 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.338 -0.138 3.117 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.993 0.777 3.838 1.00 0.00 H new ATOM 213 N VAL A 14 2.066 5.187 2.467 1.00 0.00 N ATOM 214 CA VAL A 14 0.840 5.976 2.459 1.00 0.00 C ATOM 215 C VAL A 14 0.969 7.163 1.507 1.00 0.00 C ATOM 216 O VAL A 14 0.078 7.429 0.697 1.00 0.00 O ATOM 217 CB VAL A 14 0.485 6.495 3.877 1.00 0.00 C ATOM 218 CG1 VAL A 14 -0.787 7.336 3.848 1.00 0.00 C ATOM 219 CG2 VAL A 14 0.336 5.333 4.850 1.00 0.00 C ATOM 0 H VAL A 14 2.577 5.208 3.350 1.00 0.00 H new ATOM 0 HA VAL A 14 0.039 5.320 2.118 1.00 0.00 H new ATOM 0 HB VAL A 14 1.302 7.130 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.014 7.688 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.642 8.192 3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.615 6.730 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.087 5.717 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.459 4.671 4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.273 4.779 4.901 1.00 0.00 H new ATOM 229 N GLN A 15 2.096 7.854 1.592 1.00 0.00 N ATOM 230 CA GLN A 15 2.341 9.027 0.769 1.00 0.00 C ATOM 231 C GLN A 15 2.412 8.682 -0.708 1.00 0.00 C ATOM 232 O GLN A 15 1.924 9.433 -1.537 1.00 0.00 O ATOM 233 CB GLN A 15 3.600 9.763 1.225 1.00 0.00 C ATOM 234 CG GLN A 15 3.460 10.376 2.611 1.00 0.00 C ATOM 235 CD GLN A 15 2.348 11.411 2.688 1.00 0.00 C ATOM 236 OE1 GLN A 15 2.172 12.176 1.624 1.00 0.00 O flip ATOM 237 NE2 GLN A 15 1.670 11.538 3.711 1.00 0.00 N flip ATOM 0 H GLN A 15 2.859 7.620 2.227 1.00 0.00 H new ATOM 0 HA GLN A 15 1.491 9.696 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.441 9.069 1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.835 10.549 0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.265 9.585 3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.404 10.842 2.894 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.836 10.928 4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.944 12.253 3.756 1.00 0.00 H new ATOM 246 N ALA A 16 3.007 7.542 -1.035 1.00 0.00 N ATOM 247 CA ALA A 16 3.116 7.115 -2.426 1.00 0.00 C ATOM 248 C ALA A 16 1.741 6.955 -3.046 1.00 0.00 C ATOM 249 O ALA A 16 1.503 7.404 -4.160 1.00 0.00 O ATOM 250 CB ALA A 16 3.901 5.819 -2.532 1.00 0.00 C ATOM 0 H ALA A 16 3.420 6.898 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 16 3.654 7.887 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.970 5.520 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.903 5.967 -2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.394 5.039 -1.964 1.00 0.00 H new ATOM 256 N PHE A 17 0.830 6.327 -2.312 1.00 0.00 N ATOM 257 CA PHE A 17 -0.539 6.163 -2.779 1.00 0.00 C ATOM 258 C PHE A 17 -1.254 7.507 -2.843 1.00 0.00 C ATOM 259 O PHE A 17 -2.038 7.760 -3.757 1.00 0.00 O ATOM 260 CB PHE A 17 -1.316 5.203 -1.891 1.00 0.00 C ATOM 261 CG PHE A 17 -0.966 3.758 -2.097 1.00 0.00 C ATOM 262 CD1 PHE A 17 -0.343 3.036 -1.101 1.00 0.00 C ATOM 263 CD2 PHE A 17 -1.276 3.119 -3.287 1.00 0.00 C ATOM 264 CE1 PHE A 17 -0.034 1.706 -1.280 1.00 0.00 C ATOM 265 CE2 PHE A 17 -0.969 1.788 -3.475 1.00 0.00 C ATOM 266 CZ PHE A 17 -0.348 1.080 -2.469 1.00 0.00 C ATOM 0 H PHE A 17 1.015 5.924 -1.393 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.493 5.740 -3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.137 5.464 -0.848 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.382 5.337 -2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.094 3.520 -0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.764 3.670 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.454 1.153 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.214 1.302 -4.408 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.107 0.037 -2.611 1.00 0.00 H new ATOM 276 N GLN A 18 -0.985 8.362 -1.863 1.00 0.00 N ATOM 277 CA GLN A 18 -1.575 9.690 -1.820 1.00 0.00 C ATOM 278 C GLN A 18 -1.149 10.488 -3.060 1.00 0.00 C ATOM 279 O GLN A 18 -1.971 11.143 -3.703 1.00 0.00 O ATOM 280 CB GLN A 18 -1.137 10.397 -0.520 1.00 0.00 C ATOM 281 CG GLN A 18 -1.859 11.706 -0.211 1.00 0.00 C ATOM 282 CD GLN A 18 -1.336 12.886 -1.011 1.00 0.00 C ATOM 283 OE1 GLN A 18 -0.159 12.939 -1.366 1.00 0.00 O ATOM 284 NE2 GLN A 18 -2.201 13.838 -1.290 1.00 0.00 N ATOM 0 H GLN A 18 -0.359 8.155 -1.085 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.663 9.617 -1.826 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.289 9.712 0.315 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.067 10.597 -0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.923 11.582 -0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -1.760 11.925 0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.168 13.756 -0.977 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -1.904 14.658 -1.819 1.00 0.00 H new ATOM 293 N ARG A 19 0.131 10.401 -3.399 1.00 0.00 N ATOM 294 CA ARG A 19 0.664 11.067 -4.582 1.00 0.00 C ATOM 295 C ARG A 19 0.132 10.391 -5.844 1.00 0.00 C ATOM 296 O ARG A 19 -0.155 11.047 -6.847 1.00 0.00 O ATOM 297 CB ARG A 19 2.199 11.046 -4.566 1.00 0.00 C ATOM 298 CG ARG A 19 2.801 11.684 -3.319 1.00 0.00 C ATOM 299 CD ARG A 19 4.323 11.690 -3.352 1.00 0.00 C ATOM 300 NE ARG A 19 4.893 10.341 -3.437 1.00 0.00 N ATOM 301 CZ ARG A 19 5.652 9.769 -2.489 1.00 0.00 C ATOM 302 NH1 ARG A 19 5.852 10.378 -1.324 1.00 0.00 N ATOM 303 NH2 ARG A 19 6.202 8.579 -2.706 1.00 0.00 N ATOM 0 H ARG A 19 0.823 9.873 -2.868 1.00 0.00 H new ATOM 0 HA ARG A 19 0.338 12.107 -4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.541 10.014 -4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.571 11.568 -5.448 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.438 12.707 -3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.461 11.143 -2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.661 12.277 -4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.700 12.183 -2.456 1.00 0.00 H new ATOM 0 HE ARG A 19 4.698 9.798 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.427 11.288 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.430 9.935 -0.610 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.048 8.100 -3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.779 8.145 -1.985 1.00 0.00 H new ATOM 317 N LEU A 20 -0.016 9.073 -5.766 1.00 0.00 N ATOM 318 CA LEU A 20 -0.533 8.263 -6.863 1.00 0.00 C ATOM 319 C LEU A 20 -1.954 8.694 -7.216 1.00 0.00 C ATOM 320 O LEU A 20 -2.334 8.723 -8.386 1.00 0.00 O ATOM 321 CB LEU A 20 -0.532 6.785 -6.463 1.00 0.00 C ATOM 322 CG LEU A 20 -0.836 5.786 -7.573 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.357 5.645 -8.504 1.00 0.00 C ATOM 324 CD2 LEU A 20 -1.228 4.440 -6.986 1.00 0.00 C ATOM 0 H LEU A 20 0.221 8.533 -4.934 1.00 0.00 H new ATOM 0 HA LEU A 20 0.108 8.405 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.445 6.544 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.263 6.645 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.678 6.160 -8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.122 4.928 -9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.586 6.612 -8.952 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.220 5.294 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.441 3.739 -7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.409 4.055 -6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.115 4.559 -6.364 1.00 0.00 H new ATOM 336 N ARG A 21 -2.728 9.028 -6.187 1.00 0.00 N ATOM 337 CA ARG A 21 -4.109 9.464 -6.356 1.00 0.00 C ATOM 338 C ARG A 21 -4.169 10.699 -7.249 1.00 0.00 C ATOM 339 O ARG A 21 -5.021 10.800 -8.131 1.00 0.00 O ATOM 340 CB ARG A 21 -4.724 9.777 -4.991 1.00 0.00 C ATOM 341 CG ARG A 21 -6.211 10.084 -5.032 1.00 0.00 C ATOM 342 CD ARG A 21 -6.727 10.458 -3.654 1.00 0.00 C ATOM 343 NE ARG A 21 -8.171 10.710 -3.649 1.00 0.00 N ATOM 344 CZ ARG A 21 -8.729 11.924 -3.737 1.00 0.00 C ATOM 345 NH1 ARG A 21 -7.961 13.006 -3.856 1.00 0.00 N ATOM 346 NH2 ARG A 21 -10.054 12.054 -3.695 1.00 0.00 N ATOM 0 H ARG A 21 -2.416 9.004 -5.216 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.676 8.662 -6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.558 8.928 -4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.201 10.629 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.398 10.901 -5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.755 9.216 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.498 9.655 -2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.204 11.347 -3.302 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.793 9.905 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.946 12.911 -3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.388 13.930 -3.923 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.645 11.228 -3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.478 12.979 -3.762 1.00 0.00 H new ATOM 360 N GLU A 22 -3.245 11.623 -7.026 1.00 0.00 N ATOM 361 CA GLU A 22 -3.168 12.841 -7.819 1.00 0.00 C ATOM 362 C GLU A 22 -2.801 12.521 -9.262 1.00 0.00 C ATOM 363 O GLU A 22 -3.358 13.090 -10.194 1.00 0.00 O ATOM 364 CB GLU A 22 -2.147 13.805 -7.219 1.00 0.00 C ATOM 365 CG GLU A 22 -2.547 14.350 -5.861 1.00 0.00 C ATOM 366 CD GLU A 22 -3.810 15.181 -5.924 1.00 0.00 C ATOM 367 OE1 GLU A 22 -3.731 16.358 -6.343 1.00 0.00 O ATOM 368 OE2 GLU A 22 -4.882 14.675 -5.549 1.00 0.00 O1- ATOM 0 H GLU A 22 -2.534 11.551 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.149 13.317 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.188 13.294 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.000 14.638 -7.906 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.694 13.521 -5.169 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.735 14.958 -5.462 1.00 0.00 H new ATOM 375 N ILE A 23 -1.869 11.597 -9.435 1.00 0.00 N ATOM 376 CA ILE A 23 -1.432 11.179 -10.761 1.00 0.00 C ATOM 377 C ILE A 23 -2.581 10.505 -11.513 1.00 0.00 C ATOM 378 O ILE A 23 -2.776 10.729 -12.713 1.00 0.00 O ATOM 379 CB ILE A 23 -0.232 10.214 -10.670 1.00 0.00 C ATOM 380 CG1 ILE A 23 0.926 10.892 -9.935 1.00 0.00 C ATOM 381 CG2 ILE A 23 0.208 9.766 -12.059 1.00 0.00 C ATOM 382 CD1 ILE A 23 2.112 9.989 -9.701 1.00 0.00 C ATOM 0 H ILE A 23 -1.397 11.118 -8.668 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.120 12.070 -11.306 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.537 9.330 -10.111 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.250 11.760 -10.509 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.567 11.261 -8.974 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.055 9.086 -11.971 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.617 9.255 -12.555 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.501 10.636 -12.646 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.891 10.541 -9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.805 9.133 -9.100 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.498 9.640 -10.659 1.00 0.00 H new ATOM 394 N PHE A 24 -3.343 9.691 -10.795 1.00 0.00 N ATOM 395 CA PHE A 24 -4.504 9.023 -11.362 1.00 0.00 C ATOM 396 C PHE A 24 -5.568 10.046 -11.748 1.00 0.00 C ATOM 397 O PHE A 24 -6.199 9.940 -12.803 1.00 0.00 O ATOM 398 CB PHE A 24 -5.077 8.007 -10.365 1.00 0.00 C ATOM 399 CG PHE A 24 -6.379 7.400 -10.805 1.00 0.00 C ATOM 400 CD1 PHE A 24 -6.430 6.556 -11.899 1.00 0.00 C ATOM 401 CD2 PHE A 24 -7.553 7.680 -10.123 1.00 0.00 C ATOM 402 CE1 PHE A 24 -7.624 6.003 -12.307 1.00 0.00 C ATOM 403 CE2 PHE A 24 -8.752 7.129 -10.526 1.00 0.00 C ATOM 404 CZ PHE A 24 -8.788 6.290 -11.620 1.00 0.00 C ATOM 0 H PHE A 24 -3.175 9.477 -9.812 1.00 0.00 H new ATOM 0 HA PHE A 24 -4.193 8.489 -12.260 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.348 7.211 -10.211 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.221 8.497 -9.402 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.523 6.328 -12.440 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.529 8.337 -9.266 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.650 5.345 -13.163 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -9.660 7.354 -9.986 1.00 0.00 H new ATOM 0 HZ PHE A 24 -9.725 5.858 -11.939 1.00 0.00 H new ATOM 414 N ASP A 25 -5.752 11.037 -10.889 1.00 0.00 N ATOM 415 CA ASP A 25 -6.714 12.105 -11.140 1.00 0.00 C ATOM 416 C ASP A 25 -6.275 12.944 -12.339 1.00 0.00 C ATOM 417 O ASP A 25 -7.103 13.474 -13.082 1.00 0.00 O ATOM 418 CB ASP A 25 -6.868 12.983 -9.900 1.00 0.00 C ATOM 419 CG ASP A 25 -7.860 14.103 -10.100 1.00 0.00 C ATOM 420 OD1 ASP A 25 -9.068 13.822 -10.195 1.00 0.00 O ATOM 421 OD2 ASP A 25 -7.439 15.276 -10.137 1.00 0.00 O1- ATOM 0 H ASP A 25 -5.246 11.126 -10.008 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.681 11.657 -11.368 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.187 12.366 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.898 13.405 -9.635 1.00 0.00 H new ATOM 426 N LYS A 26 -4.967 13.028 -12.531 1.00 0.00 N ATOM 427 CA LYS A 26 -4.384 13.755 -13.641 1.00 0.00 C ATOM 428 C LYS A 26 -4.493 12.933 -14.933 1.00 0.00 C ATOM 429 O LYS A 26 -4.384 13.467 -16.043 1.00 0.00 O ATOM 430 CB LYS A 26 -2.912 14.051 -13.319 1.00 0.00 C ATOM 431 CG LYS A 26 -2.122 14.617 -14.473 1.00 0.00 C ATOM 432 CD LYS A 26 -0.647 14.726 -14.135 1.00 0.00 C ATOM 433 CE LYS A 26 0.171 15.106 -15.356 1.00 0.00 C ATOM 434 NZ LYS A 26 -0.236 16.418 -15.912 1.00 0.00 N ATOM 0 H LYS A 26 -4.280 12.591 -11.917 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.922 14.691 -13.790 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.869 14.753 -12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.434 13.130 -12.984 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.250 13.982 -15.349 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.511 15.601 -14.734 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.505 15.472 -13.353 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.291 13.775 -13.738 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.227 15.138 -15.089 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.058 14.338 -16.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.442 16.710 -16.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.185 16.339 -16.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.250 17.128 -15.152 1.00 0.00 H new ATOM 448 N GLY A 27 -4.727 11.639 -14.777 1.00 0.00 N ATOM 449 CA GLY A 27 -4.859 10.765 -15.921 1.00 0.00 C ATOM 450 C GLY A 27 -3.531 10.465 -16.581 1.00 0.00 C ATOM 451 O GLY A 27 -3.478 10.192 -17.777 1.00 0.00 O ATOM 0 H GLY A 27 -4.828 11.178 -13.873 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.324 9.830 -15.608 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.527 11.225 -16.650 1.00 0.00 H new ATOM 455 N ASP A 28 -2.456 10.519 -15.810 1.00 0.00 N ATOM 456 CA ASP A 28 -1.128 10.248 -16.350 1.00 0.00 C ATOM 457 C ASP A 28 -0.746 8.796 -16.094 1.00 0.00 C ATOM 458 O ASP A 28 -0.216 8.455 -15.035 1.00 0.00 O ATOM 459 CB ASP A 28 -0.083 11.189 -15.741 1.00 0.00 C ATOM 460 CG ASP A 28 1.210 11.224 -16.538 1.00 0.00 C ATOM 461 OD1 ASP A 28 2.015 10.270 -16.439 1.00 0.00 O ATOM 462 OD2 ASP A 28 1.433 12.214 -17.262 1.00 0.00 O1- ATOM 0 H ASP A 28 -2.473 10.746 -14.816 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.154 10.424 -17.425 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.497 12.196 -15.683 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.133 10.874 -14.720 1.00 0.00 H new ATOM 467 N ASP A 29 -1.045 7.945 -17.061 1.00 0.00 N ATOM 468 CA ASP A 29 -0.784 6.506 -16.948 1.00 0.00 C ATOM 469 C ASP A 29 0.708 6.203 -16.851 1.00 0.00 C ATOM 470 O ASP A 29 1.124 5.307 -16.112 1.00 0.00 O ATOM 471 CB ASP A 29 -1.393 5.762 -18.141 1.00 0.00 C ATOM 472 CG ASP A 29 -1.011 4.296 -18.181 1.00 0.00 C ATOM 473 OD1 ASP A 29 -1.717 3.473 -17.561 1.00 0.00 O ATOM 474 OD2 ASP A 29 -0.002 3.957 -18.850 1.00 0.00 O1- ATOM 0 H ASP A 29 -1.473 8.222 -17.944 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.252 6.161 -16.026 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.479 5.848 -18.100 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.070 6.242 -19.065 1.00 0.00 H new ATOM 479 N ASP A 30 1.506 6.962 -17.583 1.00 0.00 N ATOM 480 CA ASP A 30 2.952 6.753 -17.616 1.00 0.00 C ATOM 481 C ASP A 30 3.581 6.898 -16.229 1.00 0.00 C ATOM 482 O ASP A 30 4.328 6.022 -15.784 1.00 0.00 O ATOM 483 CB ASP A 30 3.606 7.715 -18.601 1.00 0.00 C ATOM 484 CG ASP A 30 5.111 7.601 -18.614 1.00 0.00 C ATOM 485 OD1 ASP A 30 5.629 6.515 -18.965 1.00 0.00 O ATOM 486 OD2 ASP A 30 5.784 8.601 -18.296 1.00 0.00 O1- ATOM 0 H ASP A 30 1.180 7.733 -18.166 1.00 0.00 H new ATOM 0 HA ASP A 30 3.128 5.730 -17.949 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.222 7.520 -19.602 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.325 8.737 -18.346 1.00 0.00 H new ATOM 491 N SER A 31 3.267 7.990 -15.547 1.00 0.00 N ATOM 492 CA SER A 31 3.788 8.230 -14.208 1.00 0.00 C ATOM 493 C SER A 31 3.177 7.252 -13.208 1.00 0.00 C ATOM 494 O SER A 31 3.821 6.860 -12.232 1.00 0.00 O ATOM 495 CB SER A 31 3.524 9.671 -13.774 1.00 0.00 C ATOM 496 OG SER A 31 4.042 10.586 -14.725 1.00 0.00 O ATOM 0 H SER A 31 2.653 8.725 -15.899 1.00 0.00 H new ATOM 0 HA SER A 31 4.866 8.071 -14.231 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.452 9.830 -13.656 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.982 9.852 -12.801 1.00 0.00 H new ATOM 0 HG SER A 31 3.495 10.558 -15.538 1.00 0.00 H new ATOM 502 N LEU A 32 1.938 6.846 -13.476 1.00 0.00 N ATOM 503 CA LEU A 32 1.206 5.944 -12.594 1.00 0.00 C ATOM 504 C LEU A 32 1.956 4.620 -12.442 1.00 0.00 C ATOM 505 O LEU A 32 2.154 4.138 -11.329 1.00 0.00 O ATOM 506 CB LEU A 32 -0.190 5.679 -13.177 1.00 0.00 C ATOM 507 CG LEU A 32 -1.164 4.911 -12.282 1.00 0.00 C ATOM 508 CD1 LEU A 32 -1.761 5.829 -11.228 1.00 0.00 C ATOM 509 CD2 LEU A 32 -2.261 4.264 -13.114 1.00 0.00 C ATOM 0 H LEU A 32 1.417 7.131 -14.305 1.00 0.00 H new ATOM 0 HA LEU A 32 1.114 6.410 -11.613 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.642 6.638 -13.431 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.072 5.125 -14.108 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.611 4.122 -11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.451 5.264 -10.602 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.963 6.240 -10.609 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.298 6.643 -11.716 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.943 3.723 -12.459 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.811 5.035 -13.653 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.816 3.570 -13.827 1.00 0.00 H new ATOM 521 N GLU A 33 2.405 4.064 -13.562 1.00 0.00 N ATOM 522 CA GLU A 33 3.143 2.800 -13.554 1.00 0.00 C ATOM 523 C GLU A 33 4.474 2.937 -12.815 1.00 0.00 C ATOM 524 O GLU A 33 4.877 2.041 -12.073 1.00 0.00 O ATOM 525 CB GLU A 33 3.392 2.316 -14.983 1.00 0.00 C ATOM 526 CG GLU A 33 2.137 1.892 -15.728 1.00 0.00 C ATOM 527 CD GLU A 33 1.501 0.646 -15.149 1.00 0.00 C ATOM 528 OE1 GLU A 33 2.067 -0.460 -15.332 1.00 0.00 O ATOM 529 OE2 GLU A 33 0.426 0.754 -14.532 1.00 0.00 O1- ATOM 0 H GLU A 33 2.272 4.467 -14.490 1.00 0.00 H new ATOM 0 HA GLU A 33 2.533 2.066 -13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.881 3.112 -15.544 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.085 1.475 -14.954 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.414 2.707 -15.705 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.384 1.715 -16.775 1.00 0.00 H new ATOM 536 N GLN A 34 5.142 4.067 -13.010 1.00 0.00 N ATOM 537 CA GLN A 34 6.441 4.315 -12.385 1.00 0.00 C ATOM 538 C GLN A 34 6.325 4.339 -10.864 1.00 0.00 C ATOM 539 O GLN A 34 7.109 3.702 -10.160 1.00 0.00 O ATOM 540 CB GLN A 34 7.028 5.631 -12.889 1.00 0.00 C ATOM 541 CG GLN A 34 7.236 5.663 -14.391 1.00 0.00 C ATOM 542 CD GLN A 34 7.736 6.999 -14.890 1.00 0.00 C ATOM 543 OE1 GLN A 34 7.443 8.044 -14.309 1.00 0.00 O ATOM 544 NE2 GLN A 34 8.490 6.977 -15.969 1.00 0.00 N ATOM 0 H GLN A 34 4.807 4.830 -13.598 1.00 0.00 H new ATOM 0 HA GLN A 34 7.109 3.499 -12.661 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.365 6.448 -12.604 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.983 5.807 -12.394 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.949 4.887 -14.670 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.295 5.425 -14.888 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.709 6.089 -16.420 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.855 7.848 -16.354 1.00 0.00 H new ATOM 553 N VAL A 35 5.334 5.060 -10.369 1.00 0.00 N ATOM 554 CA VAL A 35 5.103 5.163 -8.934 1.00 0.00 C ATOM 555 C VAL A 35 4.692 3.817 -8.351 1.00 0.00 C ATOM 556 O VAL A 35 5.057 3.484 -7.227 1.00 0.00 O ATOM 557 CB VAL A 35 4.040 6.238 -8.605 1.00 0.00 C ATOM 558 CG1 VAL A 35 3.759 6.294 -7.107 1.00 0.00 C ATOM 559 CG2 VAL A 35 4.506 7.595 -9.104 1.00 0.00 C ATOM 0 H VAL A 35 4.673 5.586 -10.940 1.00 0.00 H new ATOM 0 HA VAL A 35 6.043 5.469 -8.475 1.00 0.00 H new ATOM 0 HB VAL A 35 3.113 5.969 -9.110 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.008 7.058 -6.906 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.390 5.325 -6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.677 6.538 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.753 8.347 -8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.446 7.858 -8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.654 7.555 -10.183 1.00 0.00 H new ATOM 569 N LEU A 36 3.951 3.034 -9.125 1.00 0.00 N ATOM 570 CA LEU A 36 3.516 1.720 -8.673 1.00 0.00 C ATOM 571 C LEU A 36 4.709 0.826 -8.359 1.00 0.00 C ATOM 572 O LEU A 36 4.691 0.100 -7.373 1.00 0.00 O ATOM 573 CB LEU A 36 2.600 1.062 -9.705 1.00 0.00 C ATOM 574 CG LEU A 36 1.217 1.701 -9.858 1.00 0.00 C ATOM 575 CD1 LEU A 36 0.469 1.081 -11.013 1.00 0.00 C ATOM 576 CD2 LEU A 36 0.416 1.559 -8.576 1.00 0.00 C ATOM 0 H LEU A 36 3.640 3.285 -10.064 1.00 0.00 H new ATOM 0 HA LEU A 36 2.947 1.855 -7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.099 1.081 -10.674 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.469 0.014 -9.434 1.00 0.00 H new ATOM 0 HG LEU A 36 1.355 2.762 -10.064 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.511 1.549 -11.105 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.031 1.233 -11.934 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.346 0.013 -10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.563 2.020 -8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.292 0.502 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.944 2.053 -7.760 1.00 0.00 H new ATOM 588 N GLU A 37 5.760 0.902 -9.179 1.00 0.00 N ATOM 589 CA GLU A 37 6.979 0.130 -8.921 1.00 0.00 C ATOM 590 C GLU A 37 7.622 0.583 -7.617 1.00 0.00 C ATOM 591 O GLU A 37 8.118 -0.232 -6.833 1.00 0.00 O ATOM 592 CB GLU A 37 7.974 0.263 -10.069 1.00 0.00 C ATOM 593 CG GLU A 37 7.527 -0.410 -11.350 1.00 0.00 C ATOM 594 CD GLU A 37 8.624 -0.462 -12.385 1.00 0.00 C ATOM 595 OE1 GLU A 37 9.636 -1.162 -12.148 1.00 0.00 O ATOM 596 OE2 GLU A 37 8.480 0.182 -13.447 1.00 0.00 O1- ATOM 0 H GLU A 37 5.793 1.482 -10.017 1.00 0.00 H new ATOM 0 HA GLU A 37 6.699 -0.920 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.146 1.321 -10.267 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.929 -0.163 -9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.193 -1.423 -11.127 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.670 0.126 -11.759 1.00 0.00 H new ATOM 603 N GLU A 38 7.597 1.891 -7.385 1.00 0.00 N ATOM 604 CA GLU A 38 8.109 2.468 -6.151 1.00 0.00 C ATOM 605 C GLU A 38 7.329 1.930 -4.966 1.00 0.00 C ATOM 606 O GLU A 38 7.896 1.612 -3.917 1.00 0.00 O ATOM 607 CB GLU A 38 8.003 3.995 -6.195 1.00 0.00 C ATOM 608 CG GLU A 38 9.033 4.670 -7.078 1.00 0.00 C ATOM 609 CD GLU A 38 10.435 4.520 -6.539 1.00 0.00 C ATOM 610 OE1 GLU A 38 11.219 3.749 -7.121 1.00 0.00 O ATOM 611 OE2 GLU A 38 10.760 5.169 -5.521 1.00 0.00 O1- ATOM 0 H GLU A 38 7.224 2.575 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 38 9.158 2.192 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.008 4.268 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.101 4.383 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.984 4.245 -8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.792 5.729 -7.169 1.00 0.00 H new ATOM 618 N ILE A 39 6.029 1.829 -5.151 1.00 0.00 N ATOM 619 CA ILE A 39 5.138 1.311 -4.140 1.00 0.00 C ATOM 620 C ILE A 39 5.407 -0.168 -3.890 1.00 0.00 C ATOM 621 O ILE A 39 5.372 -0.627 -2.750 1.00 0.00 O ATOM 622 CB ILE A 39 3.660 1.510 -4.547 1.00 0.00 C ATOM 623 CG1 ILE A 39 3.339 3.003 -4.647 1.00 0.00 C ATOM 624 CG2 ILE A 39 2.735 0.828 -3.554 1.00 0.00 C ATOM 625 CD1 ILE A 39 1.940 3.302 -5.136 1.00 0.00 C ATOM 0 H ILE A 39 5.560 2.106 -6.013 1.00 0.00 H new ATOM 0 HA ILE A 39 5.325 1.866 -3.221 1.00 0.00 H new ATOM 0 HB ILE A 39 3.502 1.054 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.475 3.459 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.056 3.474 -5.320 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.699 0.980 -3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.953 -0.240 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.888 1.254 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.792 4.381 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.804 2.878 -6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.214 2.863 -4.452 1.00 0.00 H new ATOM 637 N GLU A 40 5.707 -0.903 -4.958 1.00 0.00 N ATOM 638 CA GLU A 40 5.965 -2.339 -4.861 1.00 0.00 C ATOM 639 C GLU A 40 7.129 -2.608 -3.920 1.00 0.00 C ATOM 640 O GLU A 40 7.089 -3.539 -3.107 1.00 0.00 O ATOM 641 CB GLU A 40 6.250 -2.935 -6.242 1.00 0.00 C ATOM 642 CG GLU A 40 5.043 -2.947 -7.172 1.00 0.00 C ATOM 643 CD GLU A 40 5.374 -3.478 -8.549 1.00 0.00 C ATOM 644 OE1 GLU A 40 5.870 -4.620 -8.648 1.00 0.00 O ATOM 645 OE2 GLU A 40 5.131 -2.769 -9.542 1.00 0.00 O1- ATOM 0 H GLU A 40 5.778 -0.527 -5.904 1.00 0.00 H new ATOM 0 HA GLU A 40 5.072 -2.818 -4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.053 -2.368 -6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.611 -3.956 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.255 -3.558 -6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.649 -1.935 -7.262 1.00 0.00 H new ATOM 652 N GLU A 41 8.151 -1.776 -4.014 1.00 0.00 N ATOM 653 CA GLU A 41 9.301 -1.885 -3.153 1.00 0.00 C ATOM 654 C GLU A 41 8.925 -1.589 -1.706 1.00 0.00 C ATOM 655 O GLU A 41 9.402 -2.248 -0.782 1.00 0.00 O ATOM 656 CB GLU A 41 10.386 -0.929 -3.605 1.00 0.00 C ATOM 657 CG GLU A 41 11.015 -1.287 -4.936 1.00 0.00 C ATOM 658 CD GLU A 41 12.168 -0.380 -5.280 1.00 0.00 C ATOM 659 OE1 GLU A 41 11.979 0.553 -6.074 1.00 0.00 O ATOM 660 OE2 GLU A 41 13.273 -0.587 -4.742 1.00 0.00 O1- ATOM 0 H GLU A 41 8.201 -1.012 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 41 9.674 -2.907 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.965 0.074 -3.673 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.166 -0.897 -2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.363 -2.320 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.261 -1.227 -5.721 1.00 0.00 H new ATOM 667 N LEU A 42 8.060 -0.599 -1.520 1.00 0.00 N ATOM 668 CA LEU A 42 7.608 -0.201 -0.191 1.00 0.00 C ATOM 669 C LEU A 42 6.790 -1.308 0.457 1.00 0.00 C ATOM 670 O LEU A 42 6.926 -1.573 1.652 1.00 0.00 O ATOM 671 CB LEU A 42 6.779 1.081 -0.269 1.00 0.00 C ATOM 672 CG LEU A 42 7.493 2.298 -0.853 1.00 0.00 C ATOM 673 CD1 LEU A 42 6.536 3.468 -0.964 1.00 0.00 C ATOM 674 CD2 LEU A 42 8.697 2.672 -0.002 1.00 0.00 C ATOM 0 H LEU A 42 7.654 -0.053 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 42 8.490 -0.016 0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.891 0.881 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.436 1.331 0.735 1.00 0.00 H new ATOM 0 HG LEU A 42 7.847 2.044 -1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.060 4.328 -1.382 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.705 3.198 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.154 3.721 0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.192 3.541 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.368 2.908 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.395 1.835 0.029 1.00 0.00 H new ATOM 686 N ILE A 43 5.951 -1.956 -0.343 1.00 0.00 N ATOM 687 CA ILE A 43 5.114 -3.050 0.136 1.00 0.00 C ATOM 688 C ILE A 43 5.982 -4.182 0.677 1.00 0.00 C ATOM 689 O ILE A 43 5.728 -4.717 1.764 1.00 0.00 O ATOM 690 CB ILE A 43 4.209 -3.606 -0.997 1.00 0.00 C ATOM 691 CG1 ILE A 43 3.262 -2.518 -1.512 1.00 0.00 C ATOM 692 CG2 ILE A 43 3.415 -4.816 -0.508 1.00 0.00 C ATOM 693 CD1 ILE A 43 2.470 -2.928 -2.739 1.00 0.00 C ATOM 0 H ILE A 43 5.832 -1.741 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 43 4.481 -2.655 0.931 1.00 0.00 H new ATOM 0 HB ILE A 43 4.849 -3.925 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.568 -2.247 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.842 -1.625 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.787 -5.190 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.104 -5.599 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.787 -4.523 0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.822 -2.107 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.156 -3.171 -3.551 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.862 -3.802 -2.504 1.00 0.00 H new ATOM 705 N GLN A 44 7.015 -4.528 -0.077 1.00 0.00 N ATOM 706 CA GLN A 44 7.916 -5.593 0.316 1.00 0.00 C ATOM 707 C GLN A 44 8.727 -5.205 1.546 1.00 0.00 C ATOM 708 O GLN A 44 8.933 -6.025 2.433 1.00 0.00 O ATOM 709 CB GLN A 44 8.830 -5.987 -0.838 1.00 0.00 C ATOM 710 CG GLN A 44 8.080 -6.542 -2.037 1.00 0.00 C ATOM 711 CD GLN A 44 9.002 -7.056 -3.119 1.00 0.00 C ATOM 712 OE1 GLN A 44 10.120 -6.563 -3.286 1.00 0.00 O ATOM 713 NE2 GLN A 44 8.547 -8.051 -3.854 1.00 0.00 N ATOM 0 H GLN A 44 7.247 -4.084 -0.965 1.00 0.00 H new ATOM 0 HA GLN A 44 7.310 -6.460 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.406 -5.116 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.544 -6.732 -0.488 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.427 -7.350 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.440 -5.763 -2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.615 -8.428 -3.681 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.127 -8.444 -4.596 1.00 0.00 H new ATOM 722 N LYS A 45 9.172 -3.948 1.606 1.00 0.00 N ATOM 723 CA LYS A 45 9.922 -3.462 2.769 1.00 0.00 C ATOM 724 C LYS A 45 9.063 -3.549 4.017 1.00 0.00 C ATOM 725 O LYS A 45 9.513 -4.006 5.065 1.00 0.00 O ATOM 726 CB LYS A 45 10.370 -2.007 2.573 1.00 0.00 C ATOM 727 CG LYS A 45 11.450 -1.814 1.522 1.00 0.00 C ATOM 728 CD LYS A 45 11.818 -0.338 1.359 1.00 0.00 C ATOM 729 CE LYS A 45 12.345 0.264 2.659 1.00 0.00 C ATOM 730 NZ LYS A 45 12.804 1.665 2.478 1.00 0.00 N ATOM 0 H LYS A 45 9.029 -3.254 0.872 1.00 0.00 H new ATOM 0 HA LYS A 45 10.805 -4.091 2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.502 -1.407 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.735 -1.622 3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.337 -2.382 1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.105 -2.211 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.573 -0.236 0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 45 10.942 0.220 1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.561 0.234 3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.171 -0.343 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.154 2.036 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.570 1.691 1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.010 2.250 2.148 1.00 0.00 H new ATOM 744 N HIS A 46 7.819 -3.125 3.883 1.00 0.00 N ATOM 745 CA HIS A 46 6.879 -3.120 4.985 1.00 0.00 C ATOM 746 C HIS A 46 6.642 -4.540 5.493 1.00 0.00 C ATOM 747 O HIS A 46 6.687 -4.798 6.699 1.00 0.00 O ATOM 748 CB HIS A 46 5.558 -2.475 4.542 1.00 0.00 C ATOM 749 CG HIS A 46 4.602 -2.213 5.660 1.00 0.00 C ATOM 750 ND1 HIS A 46 4.239 -0.955 6.081 1.00 0.00 N ATOM 751 CD2 HIS A 46 3.925 -3.078 6.441 1.00 0.00 C ATOM 752 CE1 HIS A 46 3.372 -1.096 7.087 1.00 0.00 C ATOM 753 NE2 HIS A 46 3.144 -2.370 7.345 1.00 0.00 N ATOM 0 H HIS A 46 7.434 -2.775 3.006 1.00 0.00 H new ATOM 0 HA HIS A 46 7.298 -2.534 5.803 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.777 -1.534 4.037 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.076 -3.124 3.811 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.981 -4.154 6.374 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.917 -0.274 7.620 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.524 -2.754 8.058 1.00 0.00 H new ATOM 761 N ARG A 47 6.394 -5.458 4.571 1.00 0.00 N ATOM 762 CA ARG A 47 6.165 -6.843 4.938 1.00 0.00 C ATOM 763 C ARG A 47 7.429 -7.482 5.499 1.00 0.00 C ATOM 764 O ARG A 47 7.361 -8.302 6.411 1.00 0.00 O ATOM 765 CB ARG A 47 5.620 -7.655 3.758 1.00 0.00 C ATOM 766 CG ARG A 47 4.199 -7.273 3.346 1.00 0.00 C ATOM 767 CD ARG A 47 3.255 -7.285 4.544 1.00 0.00 C ATOM 768 NE ARG A 47 1.844 -7.147 4.156 1.00 0.00 N ATOM 769 CZ ARG A 47 0.978 -6.289 4.721 1.00 0.00 C ATOM 770 NH1 ARG A 47 1.398 -5.405 5.631 1.00 0.00 N ATOM 771 NH2 ARG A 47 -0.304 -6.317 4.370 1.00 0.00 N ATOM 0 H ARG A 47 6.347 -5.269 3.570 1.00 0.00 H new ATOM 0 HA ARG A 47 5.408 -6.849 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.283 -7.524 2.903 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.640 -8.713 4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.203 -6.282 2.893 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.838 -7.968 2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.386 -8.216 5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.523 -6.473 5.220 1.00 0.00 H new ATOM 0 HE ARG A 47 1.498 -7.744 3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.381 -5.379 5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.735 -4.757 6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.628 -6.988 3.674 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.964 -5.667 4.797 1.00 0.00 H new ATOM 785 N GLN A 48 8.581 -7.091 4.966 1.00 0.00 N ATOM 786 CA GLN A 48 9.849 -7.611 5.434 1.00 0.00 C ATOM 787 C GLN A 48 10.119 -7.158 6.867 1.00 0.00 C ATOM 788 O GLN A 48 10.668 -7.911 7.668 1.00 0.00 O ATOM 789 CB GLN A 48 10.983 -7.177 4.505 1.00 0.00 C ATOM 790 CG GLN A 48 12.337 -7.763 4.860 1.00 0.00 C ATOM 791 CD GLN A 48 12.322 -9.282 4.934 1.00 0.00 C ATOM 792 OE1 GLN A 48 12.554 -9.971 3.937 1.00 0.00 O ATOM 793 NE2 GLN A 48 12.054 -9.811 6.113 1.00 0.00 N ATOM 0 H GLN A 48 8.657 -6.413 4.207 1.00 0.00 H new ATOM 0 HA GLN A 48 9.799 -8.700 5.425 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.732 -7.465 3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.055 -6.089 4.521 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.070 -7.447 4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.661 -7.360 5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.868 -9.206 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.033 -10.825 6.224 1.00 0.00 H new ATOM 802 N LEU A 49 9.723 -5.932 7.188 1.00 0.00 N ATOM 803 CA LEU A 49 9.879 -5.415 8.542 1.00 0.00 C ATOM 804 C LEU A 49 9.060 -6.239 9.522 1.00 0.00 C ATOM 805 O LEU A 49 9.504 -6.525 10.628 1.00 0.00 O ATOM 806 CB LEU A 49 9.467 -3.944 8.622 1.00 0.00 C ATOM 807 CG LEU A 49 10.387 -2.954 7.908 1.00 0.00 C ATOM 808 CD1 LEU A 49 9.822 -1.549 8.002 1.00 0.00 C ATOM 809 CD2 LEU A 49 11.790 -3.005 8.499 1.00 0.00 C ATOM 0 H LEU A 49 9.293 -5.280 6.532 1.00 0.00 H new ATOM 0 HA LEU A 49 10.933 -5.490 8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.465 -3.844 8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.405 -3.660 9.673 1.00 0.00 H new ATOM 0 HG LEU A 49 10.448 -3.235 6.857 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.487 -0.854 7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.838 -1.521 7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.735 -1.261 9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.430 -2.293 7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 49 11.748 -2.748 9.558 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.196 -4.010 8.385 1.00 0.00 H new ATOM 821 N PHE A 50 7.867 -6.629 9.098 1.00 0.00 N ATOM 822 CA PHE A 50 6.990 -7.453 9.919 1.00 0.00 C ATOM 823 C PHE A 50 7.563 -8.864 10.045 1.00 0.00 C ATOM 824 O PHE A 50 7.589 -9.441 11.131 1.00 0.00 O ATOM 825 CB PHE A 50 5.581 -7.498 9.307 1.00 0.00 C ATOM 826 CG PHE A 50 4.583 -8.282 10.115 1.00 0.00 C ATOM 827 CD1 PHE A 50 3.994 -7.728 11.241 1.00 0.00 C ATOM 828 CD2 PHE A 50 4.228 -9.571 9.743 1.00 0.00 C ATOM 829 CE1 PHE A 50 3.072 -8.444 11.981 1.00 0.00 C ATOM 830 CE2 PHE A 50 3.307 -10.292 10.480 1.00 0.00 C ATOM 831 CZ PHE A 50 2.729 -9.728 11.600 1.00 0.00 C ATOM 0 H PHE A 50 7.482 -6.387 8.185 1.00 0.00 H new ATOM 0 HA PHE A 50 6.922 -7.015 10.915 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.215 -6.478 9.189 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.644 -7.931 8.309 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.259 -6.726 11.543 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.677 -10.016 8.867 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.620 -8.001 12.856 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.040 -11.295 10.180 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.010 -10.289 12.178 1.00 0.00 H new ATOM 841 N ASP A 51 8.041 -9.392 8.925 1.00 0.00 N ATOM 842 CA ASP A 51 8.639 -10.730 8.871 1.00 0.00 C ATOM 843 C ASP A 51 9.905 -10.804 9.730 1.00 0.00 C ATOM 844 O ASP A 51 10.217 -11.841 10.317 1.00 0.00 O ATOM 845 CB ASP A 51 8.957 -11.090 7.413 1.00 0.00 C ATOM 846 CG ASP A 51 9.735 -12.377 7.271 1.00 0.00 C ATOM 847 OD1 ASP A 51 9.181 -13.454 7.576 1.00 0.00 O ATOM 848 OD2 ASP A 51 10.904 -12.322 6.828 1.00 0.00 O1- ATOM 0 H ASP A 51 8.027 -8.909 8.027 1.00 0.00 H new ATOM 0 HA ASP A 51 7.925 -11.448 9.273 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.024 -11.174 6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.526 -10.278 6.961 1.00 0.00 H new ATOM 853 N ASN A 52 10.627 -9.696 9.796 1.00 0.00 N ATOM 854 CA ASN A 52 11.833 -9.607 10.614 1.00 0.00 C ATOM 855 C ASN A 52 11.465 -9.343 12.075 1.00 0.00 C ATOM 856 O ASN A 52 12.185 -9.736 12.992 1.00 0.00 O ATOM 857 CB ASN A 52 12.755 -8.496 10.083 1.00 0.00 C ATOM 858 CG ASN A 52 13.986 -8.274 10.949 1.00 0.00 C ATOM 859 OD1 ASN A 52 15.022 -8.914 10.761 1.00 0.00 O ATOM 860 ND2 ASN A 52 13.885 -7.355 11.891 1.00 0.00 N ATOM 0 H ASN A 52 10.399 -8.840 9.291 1.00 0.00 H new ATOM 0 HA ASN A 52 12.365 -10.557 10.557 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.071 -8.748 9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.192 -7.565 10.018 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.682 -7.154 12.495 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.010 -6.846 12.015 1.00 0.00 H new ATOM 867 N ARG A 53 10.338 -8.676 12.276 1.00 0.00 N ATOM 868 CA ARG A 53 9.844 -8.356 13.611 1.00 0.00 C ATOM 869 C ARG A 53 9.437 -9.624 14.355 1.00 0.00 C ATOM 870 O ARG A 53 9.663 -9.749 15.559 1.00 0.00 O ATOM 871 CB ARG A 53 8.648 -7.403 13.503 1.00 0.00 C ATOM 872 CG ARG A 53 7.899 -7.182 14.804 1.00 0.00 C ATOM 873 CD ARG A 53 6.674 -6.314 14.587 1.00 0.00 C ATOM 874 NE ARG A 53 5.816 -6.275 15.768 1.00 0.00 N ATOM 875 CZ ARG A 53 4.647 -5.629 15.835 1.00 0.00 C ATOM 876 NH1 ARG A 53 4.203 -4.928 14.795 1.00 0.00 N ATOM 877 NH2 ARG A 53 3.927 -5.684 16.938 1.00 0.00 N ATOM 0 H ARG A 53 9.740 -8.341 11.521 1.00 0.00 H new ATOM 0 HA ARG A 53 10.643 -7.872 14.173 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.999 -6.440 13.133 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.953 -7.795 12.761 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.599 -8.143 15.222 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.559 -6.710 15.532 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.987 -5.301 14.333 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.106 -6.694 13.738 1.00 0.00 H new ATOM 0 HE ARG A 53 6.130 -6.775 16.600 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.755 -4.881 13.939 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.310 -4.438 14.854 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.262 -6.219 17.739 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.035 -5.192 16.990 1.00 0.00 H new ATOM 891 N GLN A 54 8.844 -10.552 13.634 1.00 0.00 N ATOM 892 CA GLN A 54 8.409 -11.807 14.209 1.00 0.00 C ATOM 893 C GLN A 54 8.438 -12.903 13.161 1.00 0.00 C ATOM 894 O GLN A 54 7.784 -12.802 12.120 1.00 0.00 O ATOM 895 CB GLN A 54 7.006 -11.670 14.819 1.00 0.00 C ATOM 896 CG GLN A 54 5.983 -11.027 13.893 1.00 0.00 C ATOM 897 CD GLN A 54 4.616 -10.913 14.528 1.00 0.00 C ATOM 898 OE1 GLN A 54 3.783 -11.808 14.401 1.00 0.00 O ATOM 899 NE2 GLN A 54 4.379 -9.818 15.223 1.00 0.00 N ATOM 0 H GLN A 54 8.651 -10.458 12.637 1.00 0.00 H new ATOM 0 HA GLN A 54 9.097 -12.078 15.010 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.649 -12.659 15.106 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.075 -11.079 15.732 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.331 -10.034 13.607 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.907 -11.614 12.978 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.098 -9.099 15.303 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.476 -9.690 15.680 1.00 0.00 H new ATOM 908 N GLU A 55 9.209 -13.935 13.427 1.00 0.00 N ATOM 909 CA GLU A 55 9.341 -15.033 12.502 1.00 0.00 C ATOM 910 C GLU A 55 8.156 -15.976 12.620 1.00 0.00 C ATOM 911 O GLU A 55 8.132 -16.863 13.476 1.00 0.00 O ATOM 912 CB GLU A 55 10.654 -15.798 12.729 1.00 0.00 C ATOM 913 CG GLU A 55 11.883 -14.907 12.880 1.00 0.00 C ATOM 914 CD GLU A 55 12.155 -14.505 14.322 1.00 0.00 C ATOM 915 OE1 GLU A 55 11.203 -14.451 15.132 1.00 0.00 O ATOM 916 OE2 GLU A 55 13.329 -14.247 14.657 1.00 0.00 O1- ATOM 0 H GLU A 55 9.756 -14.034 14.282 1.00 0.00 H new ATOM 0 HA GLU A 55 9.361 -14.618 11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.553 -16.412 13.624 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.814 -16.478 11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.754 -15.429 12.484 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.749 -14.008 12.278 1.00 0.00 H new ATOM 923 N ALA A 56 7.171 -15.762 11.784 1.00 0.00 N ATOM 924 CA ALA A 56 5.992 -16.593 11.759 1.00 0.00 C ATOM 925 C ALA A 56 6.135 -17.642 10.667 1.00 0.00 C ATOM 926 O ALA A 56 7.208 -17.772 10.064 1.00 0.00 O ATOM 927 CB ALA A 56 4.756 -15.736 11.521 1.00 0.00 C ATOM 0 H ALA A 56 7.163 -15.005 11.100 1.00 0.00 H new ATOM 0 HA ALA A 56 5.880 -17.096 12.719 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.871 -16.371 11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.661 -15.003 12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.850 -15.219 10.566 1.00 0.00 H new ATOM 933 N ALA A 57 5.080 -18.396 10.414 1.00 0.00 N ATOM 934 CA ALA A 57 5.121 -19.382 9.355 1.00 0.00 C ATOM 935 C ALA A 57 5.052 -18.688 8.004 1.00 0.00 C ATOM 936 O ALA A 57 4.572 -17.550 7.907 1.00 0.00 O ATOM 937 CB ALA A 57 3.992 -20.391 9.504 1.00 0.00 C ATOM 0 H ALA A 57 4.196 -18.344 10.921 1.00 0.00 H new ATOM 0 HA ALA A 57 6.061 -19.929 9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.046 -21.120 8.696 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.086 -20.903 10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.034 -19.873 9.462 1.00 0.00 H new ATOM 943 N ASP A 58 5.517 -19.361 6.968 1.00 0.00 N ATOM 944 CA ASP A 58 5.537 -18.780 5.627 1.00 0.00 C ATOM 945 C ASP A 58 4.123 -18.456 5.171 1.00 0.00 C ATOM 946 O ASP A 58 3.876 -17.418 4.564 1.00 0.00 O ATOM 947 CB ASP A 58 6.200 -19.736 4.638 1.00 0.00 C ATOM 948 CG ASP A 58 6.513 -19.072 3.313 1.00 0.00 C ATOM 949 OD1 ASP A 58 7.636 -18.548 3.162 1.00 0.00 O ATOM 950 OD2 ASP A 58 5.645 -19.067 2.420 1.00 0.00 O1- ATOM 0 H ASP A 58 5.887 -20.310 7.023 1.00 0.00 H new ATOM 0 HA ASP A 58 6.117 -17.858 5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.121 -20.123 5.073 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.544 -20.590 4.467 1.00 0.00 H new ATOM 955 N THR A 59 3.197 -19.339 5.501 1.00 0.00 N ATOM 956 CA THR A 59 1.798 -19.165 5.154 1.00 0.00 C ATOM 957 C THR A 59 1.195 -17.952 5.861 1.00 0.00 C ATOM 958 O THR A 59 0.329 -17.272 5.315 1.00 0.00 O ATOM 959 CB THR A 59 0.991 -20.412 5.528 1.00 0.00 C ATOM 960 OG1 THR A 59 1.389 -20.866 6.831 1.00 0.00 O ATOM 961 CG2 THR A 59 1.204 -21.521 4.511 1.00 0.00 C ATOM 0 H THR A 59 3.394 -20.197 6.017 1.00 0.00 H new ATOM 0 HA THR A 59 1.750 -19.005 4.077 1.00 0.00 H new ATOM 0 HB THR A 59 -0.068 -20.152 5.535 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.872 -21.663 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.621 -22.396 4.799 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.884 -21.179 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.261 -21.785 4.477 1.00 0.00 H new ATOM 969 N GLU A 60 1.666 -17.681 7.071 1.00 0.00 N ATOM 970 CA GLU A 60 1.172 -16.556 7.846 1.00 0.00 C ATOM 971 C GLU A 60 1.646 -15.248 7.237 1.00 0.00 C ATOM 972 O GLU A 60 0.885 -14.282 7.142 1.00 0.00 O ATOM 973 CB GLU A 60 1.611 -16.667 9.303 1.00 0.00 C ATOM 974 CG GLU A 60 1.132 -17.938 9.981 1.00 0.00 C ATOM 975 CD GLU A 60 1.443 -17.966 11.455 1.00 0.00 C ATOM 976 OE1 GLU A 60 2.614 -18.205 11.826 1.00 0.00 O ATOM 977 OE2 GLU A 60 0.518 -17.733 12.256 1.00 0.00 O1- ATOM 0 H GLU A 60 2.391 -18.227 7.536 1.00 0.00 H new ATOM 0 HA GLU A 60 0.082 -16.572 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.699 -16.626 9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.235 -15.806 9.855 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.056 -18.036 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.597 -18.798 9.500 1.00 0.00 H new ATOM 984 N ALA A 61 2.903 -15.224 6.811 1.00 0.00 N ATOM 985 CA ALA A 61 3.452 -14.057 6.146 1.00 0.00 C ATOM 986 C ALA A 61 2.742 -13.857 4.815 1.00 0.00 C ATOM 987 O ALA A 61 2.415 -12.728 4.424 1.00 0.00 O ATOM 988 CB ALA A 61 4.952 -14.222 5.934 1.00 0.00 C ATOM 0 H ALA A 61 3.557 -15.999 6.916 1.00 0.00 H new ATOM 0 HA ALA A 61 3.295 -13.178 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.348 -13.338 5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.444 -14.345 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.138 -15.101 5.317 1.00 0.00 H new ATOM 994 N ALA A 62 2.482 -14.970 4.138 1.00 0.00 N ATOM 995 CA ALA A 62 1.777 -14.962 2.874 1.00 0.00 C ATOM 996 C ALA A 62 0.355 -14.450 3.051 1.00 0.00 C ATOM 997 O ALA A 62 -0.154 -13.753 2.203 1.00 0.00 O ATOM 998 CB ALA A 62 1.768 -16.354 2.258 1.00 0.00 C ATOM 0 H ALA A 62 2.756 -15.900 4.455 1.00 0.00 H new ATOM 0 HA ALA A 62 2.301 -14.287 2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.234 -16.328 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.793 -16.684 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.271 -17.048 2.935 1.00 0.00 H new ATOM 1004 N LYS A 63 -0.267 -14.789 4.176 1.00 0.00 N ATOM 1005 CA LYS A 63 -1.644 -14.367 4.455 1.00 0.00 C ATOM 1006 C LYS A 63 -1.749 -12.843 4.538 1.00 0.00 C ATOM 1007 O LYS A 63 -2.655 -12.238 3.960 1.00 0.00 O ATOM 1008 CB LYS A 63 -2.126 -14.978 5.777 1.00 0.00 C ATOM 1009 CG LYS A 63 -3.522 -14.527 6.194 1.00 0.00 C ATOM 1010 CD LYS A 63 -3.858 -14.954 7.618 1.00 0.00 C ATOM 1011 CE LYS A 63 -3.816 -16.463 7.784 1.00 0.00 C ATOM 1012 NZ LYS A 63 -4.283 -16.884 9.129 1.00 0.00 N ATOM 0 H LYS A 63 0.157 -15.354 4.912 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.272 -14.717 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.117 -16.064 5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.420 -14.717 6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.591 -13.442 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.258 -14.944 5.507 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.153 -14.493 8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.850 -14.588 7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.439 -16.930 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.798 -16.818 7.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.239 -17.920 9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.674 -16.459 9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.264 -16.568 9.271 1.00 0.00 H new ATOM 1026 N GLN A 64 -0.806 -12.232 5.231 1.00 0.00 N ATOM 1027 CA GLN A 64 -0.801 -10.790 5.401 1.00 0.00 C ATOM 1028 C GLN A 64 -0.463 -10.101 4.076 1.00 0.00 C ATOM 1029 O GLN A 64 -1.015 -9.046 3.741 1.00 0.00 O ATOM 1030 CB GLN A 64 0.198 -10.397 6.501 1.00 0.00 C ATOM 1031 CG GLN A 64 0.173 -8.923 6.888 1.00 0.00 C ATOM 1032 CD GLN A 64 -1.212 -8.438 7.281 1.00 0.00 C ATOM 1033 OE1 GLN A 64 -1.968 -7.949 6.445 1.00 0.00 O ATOM 1034 NE2 GLN A 64 -1.551 -8.571 8.549 1.00 0.00 N ATOM 0 H GLN A 64 -0.031 -12.713 5.687 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.794 -10.461 5.706 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.007 -10.995 7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.204 -10.654 6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.859 -8.759 7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.537 -8.327 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.894 -8.982 9.212 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.470 -8.263 8.866 1.00 0.00 H new ATOM 1043 N GLY A 65 0.448 -10.699 3.330 1.00 0.00 N ATOM 1044 CA GLY A 65 0.811 -10.159 2.041 1.00 0.00 C ATOM 1045 C GLY A 65 -0.292 -10.331 1.009 1.00 0.00 C ATOM 1046 O GLY A 65 -0.658 -9.382 0.324 1.00 0.00 O ATOM 0 H GLY A 65 0.944 -11.550 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.044 -9.099 2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.717 -10.651 1.686 1.00 0.00 H new ATOM 1050 N ASP A 66 -0.852 -11.536 0.950 1.00 0.00 N ATOM 1051 CA ASP A 66 -1.867 -11.906 -0.048 1.00 0.00 C ATOM 1052 C ASP A 66 -3.120 -11.053 0.057 1.00 0.00 C ATOM 1053 O ASP A 66 -3.730 -10.716 -0.955 1.00 0.00 O ATOM 1054 CB ASP A 66 -2.233 -13.384 0.099 1.00 0.00 C ATOM 1055 CG ASP A 66 -3.202 -13.867 -0.956 1.00 0.00 C ATOM 1056 OD1 ASP A 66 -2.750 -14.233 -2.062 1.00 0.00 O ATOM 1057 OD2 ASP A 66 -4.415 -13.910 -0.680 1.00 0.00 O1- ATOM 0 H ASP A 66 -0.617 -12.291 1.594 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.431 -11.727 -1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.324 -13.983 0.049 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.669 -13.547 1.085 1.00 0.00 H new ATOM 1062 N GLN A 67 -3.497 -10.688 1.272 1.00 0.00 N ATOM 1063 CA GLN A 67 -4.678 -9.861 1.469 1.00 0.00 C ATOM 1064 C GLN A 67 -4.473 -8.494 0.830 1.00 0.00 C ATOM 1065 O GLN A 67 -5.366 -7.964 0.159 1.00 0.00 O ATOM 1066 CB GLN A 67 -4.980 -9.705 2.959 1.00 0.00 C ATOM 1067 CG GLN A 67 -6.167 -8.802 3.248 1.00 0.00 C ATOM 1068 CD GLN A 67 -6.430 -8.642 4.726 1.00 0.00 C ATOM 1069 OE1 GLN A 67 -5.514 -8.721 5.546 1.00 0.00 O ATOM 1070 NE2 GLN A 67 -7.676 -8.411 5.074 1.00 0.00 N ATOM 0 H GLN A 67 -3.009 -10.948 2.129 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.527 -10.350 0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.170 -10.689 3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.099 -9.304 3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.989 -7.822 2.806 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.055 -9.211 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.403 -8.354 4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.917 -8.289 6.058 1.00 0.00 H new ATOM 1079 N TRP A 68 -3.291 -7.938 1.027 1.00 0.00 N ATOM 1080 CA TRP A 68 -2.943 -6.667 0.453 1.00 0.00 C ATOM 1081 C TRP A 68 -2.799 -6.799 -1.065 1.00 0.00 C ATOM 1082 O TRP A 68 -3.253 -5.940 -1.823 1.00 0.00 O ATOM 1083 CB TRP A 68 -1.652 -6.152 1.086 1.00 0.00 C ATOM 1084 CG TRP A 68 -1.194 -4.850 0.533 1.00 0.00 C ATOM 1085 CD1 TRP A 68 -0.284 -4.673 -0.454 1.00 0.00 C ATOM 1086 CD2 TRP A 68 -1.625 -3.544 0.929 1.00 0.00 C ATOM 1087 NE1 TRP A 68 -0.115 -3.335 -0.703 1.00 0.00 N ATOM 1088 CE2 TRP A 68 -0.928 -2.621 0.134 1.00 0.00 C ATOM 1089 CE3 TRP A 68 -2.533 -3.065 1.878 1.00 0.00 C ATOM 1090 CZ2 TRP A 68 -1.106 -1.249 0.256 1.00 0.00 C ATOM 1091 CZ3 TRP A 68 -2.709 -1.699 1.997 1.00 0.00 C ATOM 1092 CH2 TRP A 68 -1.999 -0.806 1.190 1.00 0.00 C ATOM 0 H TRP A 68 -2.552 -8.360 1.589 1.00 0.00 H new ATOM 0 HA TRP A 68 -3.736 -5.947 0.655 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -1.801 -6.048 2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -0.866 -6.894 0.943 1.00 0.00 H new ATOM 0 HD1 TRP A 68 0.233 -5.469 -0.970 1.00 0.00 H new ATOM 0 HE1 TRP A 68 0.515 -2.937 -1.399 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -3.086 -3.748 2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.558 -0.557 -0.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -3.407 -1.315 2.726 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -2.159 0.256 1.307 1.00 0.00 H new ATOM 1103 N VAL A 69 -2.175 -7.893 -1.494 1.00 0.00 N ATOM 1104 CA VAL A 69 -1.975 -8.170 -2.912 1.00 0.00 C ATOM 1105 C VAL A 69 -3.313 -8.296 -3.639 1.00 0.00 C ATOM 1106 O VAL A 69 -3.453 -7.838 -4.760 1.00 0.00 O ATOM 1107 CB VAL A 69 -1.123 -9.449 -3.141 1.00 0.00 C ATOM 1108 CG1 VAL A 69 -1.028 -9.782 -4.621 1.00 0.00 C ATOM 1109 CG2 VAL A 69 0.272 -9.271 -2.560 1.00 0.00 C ATOM 0 H VAL A 69 -1.796 -8.608 -0.872 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.426 -7.324 -3.325 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.617 -10.276 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.426 -10.681 -4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.028 -9.952 -5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.562 -8.952 -5.152 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.855 -10.176 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.763 -8.427 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.199 -9.082 -1.489 1.00 0.00 H new ATOM 1119 N GLN A 70 -4.297 -8.901 -2.981 1.00 0.00 N ATOM 1120 CA GLN A 70 -5.623 -9.075 -3.568 1.00 0.00 C ATOM 1121 C GLN A 70 -6.257 -7.716 -3.872 1.00 0.00 C ATOM 1122 O GLN A 70 -6.921 -7.541 -4.898 1.00 0.00 O ATOM 1123 CB GLN A 70 -6.521 -9.875 -2.622 1.00 0.00 C ATOM 1124 CG GLN A 70 -7.919 -10.129 -3.162 1.00 0.00 C ATOM 1125 CD GLN A 70 -8.798 -10.867 -2.174 1.00 0.00 C ATOM 1126 OE1 GLN A 70 -8.316 -11.655 -1.365 1.00 0.00 O ATOM 1127 NE2 GLN A 70 -10.091 -10.611 -2.227 1.00 0.00 N ATOM 0 H GLN A 70 -4.202 -9.280 -2.039 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.517 -9.626 -4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.045 -10.832 -2.410 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.600 -9.341 -1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.385 -9.177 -3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.849 -10.707 -4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.452 -9.949 -2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.730 -11.075 -1.581 1.00 0.00 H new ATOM 1136 N LEU A 71 -6.050 -6.758 -2.978 1.00 0.00 N ATOM 1137 CA LEU A 71 -6.549 -5.411 -3.173 1.00 0.00 C ATOM 1138 C LEU A 71 -5.840 -4.787 -4.376 1.00 0.00 C ATOM 1139 O LEU A 71 -6.475 -4.217 -5.269 1.00 0.00 O ATOM 1140 CB LEU A 71 -6.287 -4.577 -1.906 1.00 0.00 C ATOM 1141 CG LEU A 71 -7.284 -3.451 -1.606 1.00 0.00 C ATOM 1142 CD1 LEU A 71 -6.992 -2.829 -0.250 1.00 0.00 C ATOM 1143 CD2 LEU A 71 -7.264 -2.380 -2.692 1.00 0.00 C ATOM 0 H LEU A 71 -5.536 -6.894 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.622 -5.434 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.269 -5.253 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.292 -4.139 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.281 -3.891 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.709 -2.032 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.075 -3.591 0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.983 -2.418 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.983 -1.599 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.266 -1.947 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.529 -2.828 -3.650 1.00 0.00 H new ATOM 1155 N PHE A 72 -4.523 -4.940 -4.403 1.00 0.00 N ATOM 1156 CA PHE A 72 -3.693 -4.405 -5.471 1.00 0.00 C ATOM 1157 C PHE A 72 -4.033 -5.075 -6.809 1.00 0.00 C ATOM 1158 O PHE A 72 -4.064 -4.422 -7.850 1.00 0.00 O ATOM 1159 CB PHE A 72 -2.212 -4.614 -5.124 1.00 0.00 C ATOM 1160 CG PHE A 72 -1.251 -3.908 -6.040 1.00 0.00 C ATOM 1161 CD1 PHE A 72 -1.098 -2.532 -5.974 1.00 0.00 C ATOM 1162 CD2 PHE A 72 -0.491 -4.618 -6.956 1.00 0.00 C ATOM 1163 CE1 PHE A 72 -0.209 -1.877 -6.804 1.00 0.00 C ATOM 1164 CE2 PHE A 72 0.400 -3.969 -7.790 1.00 0.00 C ATOM 1165 CZ PHE A 72 0.541 -2.597 -7.713 1.00 0.00 C ATOM 0 H PHE A 72 -4.000 -5.439 -3.683 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.889 -3.337 -5.571 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.039 -4.272 -4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.995 -5.682 -5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.682 -1.964 -5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.596 -5.691 -7.019 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.101 -0.804 -6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.985 -4.534 -8.501 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.237 -2.088 -8.363 1.00 0.00 H new ATOM 1175 N GLN A 73 -4.297 -6.375 -6.760 1.00 0.00 N ATOM 1176 CA GLN A 73 -4.645 -7.152 -7.945 1.00 0.00 C ATOM 1177 C GLN A 73 -5.929 -6.624 -8.574 1.00 0.00 C ATOM 1178 O GLN A 73 -6.003 -6.430 -9.790 1.00 0.00 O ATOM 1179 CB GLN A 73 -4.815 -8.628 -7.568 1.00 0.00 C ATOM 1180 CG GLN A 73 -5.114 -9.544 -8.743 1.00 0.00 C ATOM 1181 CD GLN A 73 -3.991 -9.579 -9.758 1.00 0.00 C ATOM 1182 OE1 GLN A 73 -3.972 -8.798 -10.707 1.00 0.00 O ATOM 1183 NE2 GLN A 73 -3.048 -10.476 -9.561 1.00 0.00 N ATOM 0 H GLN A 73 -4.276 -6.921 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.839 -7.057 -8.673 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.905 -8.972 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.622 -8.714 -6.841 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.296 -10.553 -8.374 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.030 -9.213 -9.232 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.102 -11.105 -8.760 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.263 -10.542 -10.209 1.00 0.00 H new ATOM 1192 N ARG A 74 -6.932 -6.372 -7.737 1.00 0.00 N ATOM 1193 CA ARG A 74 -8.203 -5.837 -8.209 1.00 0.00 C ATOM 1194 C ARG A 74 -7.991 -4.475 -8.855 1.00 0.00 C ATOM 1195 O ARG A 74 -8.627 -4.138 -9.853 1.00 0.00 O ATOM 1196 CB ARG A 74 -9.211 -5.731 -7.056 1.00 0.00 C ATOM 1197 CG ARG A 74 -9.663 -7.077 -6.504 1.00 0.00 C ATOM 1198 CD ARG A 74 -10.692 -6.915 -5.390 1.00 0.00 C ATOM 1199 NE ARG A 74 -10.114 -6.354 -4.158 1.00 0.00 N ATOM 1200 CZ ARG A 74 -10.657 -5.343 -3.453 1.00 0.00 C ATOM 1201 NH1 ARG A 74 -11.745 -4.717 -3.897 1.00 0.00 N ATOM 1202 NH2 ARG A 74 -10.108 -4.960 -2.312 1.00 0.00 N ATOM 0 H ARG A 74 -6.888 -6.530 -6.730 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.609 -6.521 -8.954 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.765 -5.150 -6.249 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.085 -5.179 -7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.090 -7.675 -7.309 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.799 -7.623 -6.125 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.497 -6.267 -5.736 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.137 -7.885 -5.168 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.243 -6.759 -3.815 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.174 -5.002 -4.777 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.150 -3.952 -3.357 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -9.272 -5.431 -1.965 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.520 -4.194 -1.779 1.00 0.00 H new ATOM 1216 N PHE A 75 -7.079 -3.708 -8.279 1.00 0.00 N ATOM 1217 CA PHE A 75 -6.742 -2.390 -8.782 1.00 0.00 C ATOM 1218 C PHE A 75 -6.064 -2.495 -10.153 1.00 0.00 C ATOM 1219 O PHE A 75 -6.428 -1.791 -11.088 1.00 0.00 O ATOM 1220 CB PHE A 75 -5.835 -1.670 -7.771 1.00 0.00 C ATOM 1221 CG PHE A 75 -5.511 -0.242 -8.116 1.00 0.00 C ATOM 1222 CD1 PHE A 75 -6.503 0.726 -8.119 1.00 0.00 C ATOM 1223 CD2 PHE A 75 -4.212 0.134 -8.421 1.00 0.00 C ATOM 1224 CE1 PHE A 75 -6.206 2.041 -8.421 1.00 0.00 C ATOM 1225 CE2 PHE A 75 -3.909 1.448 -8.724 1.00 0.00 C ATOM 1226 CZ PHE A 75 -4.908 2.403 -8.724 1.00 0.00 C ATOM 0 H PHE A 75 -6.553 -3.984 -7.450 1.00 0.00 H new ATOM 0 HA PHE A 75 -7.656 -1.809 -8.908 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.316 -1.692 -6.793 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.903 -2.227 -7.680 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.520 0.449 -7.883 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.428 -0.608 -8.422 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.988 2.786 -8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.893 1.728 -8.960 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.674 3.431 -8.961 1.00 0.00 H new ATOM 1236 N ARG A 76 -5.096 -3.401 -10.264 1.00 0.00 N ATOM 1237 CA ARG A 76 -4.354 -3.600 -11.515 1.00 0.00 C ATOM 1238 C ARG A 76 -5.264 -4.062 -12.647 1.00 0.00 C ATOM 1239 O ARG A 76 -5.169 -3.559 -13.774 1.00 0.00 O ATOM 1240 CB ARG A 76 -3.218 -4.606 -11.317 1.00 0.00 C ATOM 1241 CG ARG A 76 -2.123 -4.125 -10.383 1.00 0.00 C ATOM 1242 CD ARG A 76 -1.394 -2.917 -10.952 1.00 0.00 C ATOM 1243 NE ARG A 76 -0.632 -3.247 -12.161 1.00 0.00 N ATOM 1244 CZ ARG A 76 -0.216 -2.349 -13.060 1.00 0.00 C ATOM 1245 NH1 ARG A 76 -0.584 -1.084 -12.954 1.00 0.00 N ATOM 1246 NH2 ARG A 76 0.548 -2.724 -14.075 1.00 0.00 N ATOM 0 H ARG A 76 -4.803 -4.013 -9.502 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.932 -2.634 -11.795 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.633 -5.535 -10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.778 -4.837 -12.287 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.555 -3.868 -9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.411 -4.932 -10.209 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.117 -2.134 -11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.718 -2.514 -10.198 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.404 -4.227 -12.327 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.187 -0.791 -12.185 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.265 -0.401 -13.641 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.822 -3.702 -14.173 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.863 -2.035 -14.758 1.00 0.00 H new ATOM 1260 N GLU A 77 -6.139 -5.016 -12.346 1.00 0.00 N ATOM 1261 CA GLU A 77 -7.069 -5.545 -13.336 1.00 0.00 C ATOM 1262 C GLU A 77 -7.991 -4.441 -13.850 1.00 0.00 C ATOM 1263 O GLU A 77 -8.192 -4.291 -15.060 1.00 0.00 O ATOM 1264 CB GLU A 77 -7.899 -6.683 -12.731 1.00 0.00 C ATOM 1265 CG GLU A 77 -8.873 -7.332 -13.708 1.00 0.00 C ATOM 1266 CD GLU A 77 -8.180 -8.137 -14.792 1.00 0.00 C ATOM 1267 OE1 GLU A 77 -7.395 -7.562 -15.565 1.00 0.00 O ATOM 1268 OE2 GLU A 77 -8.431 -9.353 -14.882 1.00 0.00 O1- ATOM 0 H GLU A 77 -6.223 -5.439 -11.422 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.492 -5.935 -14.175 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.223 -7.447 -12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.459 -6.297 -11.879 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.551 -7.984 -13.157 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.483 -6.557 -14.173 1.00 0.00 H new ATOM 1275 N ALA A 78 -8.529 -3.657 -12.926 1.00 0.00 N ATOM 1276 CA ALA A 78 -9.432 -2.576 -13.274 1.00 0.00 C ATOM 1277 C ALA A 78 -8.738 -1.528 -14.151 1.00 0.00 C ATOM 1278 O ALA A 78 -9.356 -0.963 -15.049 1.00 0.00 O ATOM 1279 CB ALA A 78 -10.013 -1.942 -12.021 1.00 0.00 C ATOM 0 H ALA A 78 -8.353 -3.753 -11.926 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.252 -2.997 -13.856 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.688 -1.133 -12.302 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.563 -2.693 -11.455 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.205 -1.544 -11.407 1.00 0.00 H new ATOM 1285 N ILE A 79 -7.453 -1.280 -13.892 1.00 0.00 N ATOM 1286 CA ILE A 79 -6.684 -0.324 -14.696 1.00 0.00 C ATOM 1287 C ILE A 79 -6.563 -0.816 -16.134 1.00 0.00 C ATOM 1288 O ILE A 79 -6.799 -0.064 -17.087 1.00 0.00 O ATOM 1289 CB ILE A 79 -5.253 -0.099 -14.133 1.00 0.00 C ATOM 1290 CG1 ILE A 79 -5.301 0.486 -12.725 1.00 0.00 C ATOM 1291 CG2 ILE A 79 -4.457 0.817 -15.053 1.00 0.00 C ATOM 1292 CD1 ILE A 79 -3.934 0.681 -12.103 1.00 0.00 C ATOM 0 H ILE A 79 -6.925 -1.722 -13.139 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.226 0.621 -14.659 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.757 -1.069 -14.083 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.817 1.446 -12.757 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.891 -0.172 -12.087 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.457 0.964 -14.644 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.382 0.364 -16.041 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.962 1.780 -15.133 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.046 1.100 -11.103 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.423 -0.280 -12.039 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.348 1.363 -12.719 1.00 0.00 H new ATOM 1304 N ASP A 80 -6.229 -2.093 -16.276 1.00 0.00 N ATOM 1305 CA ASP A 80 -6.023 -2.702 -17.587 1.00 0.00 C ATOM 1306 C ASP A 80 -7.299 -2.676 -18.418 1.00 0.00 C ATOM 1307 O ASP A 80 -7.257 -2.468 -19.625 1.00 0.00 O ATOM 1308 CB ASP A 80 -5.526 -4.143 -17.434 1.00 0.00 C ATOM 1309 CG ASP A 80 -5.185 -4.786 -18.763 1.00 0.00 C ATOM 1310 OD1 ASP A 80 -4.170 -4.391 -19.375 1.00 0.00 O ATOM 1311 OD2 ASP A 80 -5.919 -5.697 -19.194 1.00 0.00 O1- ATOM 0 H ASP A 80 -6.094 -2.733 -15.493 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.266 -2.117 -18.110 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.645 -4.153 -16.793 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.291 -4.736 -16.933 1.00 0.00 H new ATOM 1316 N LYS A 81 -8.432 -2.866 -17.765 1.00 0.00 N ATOM 1317 CA LYS A 81 -9.717 -2.872 -18.461 1.00 0.00 C ATOM 1318 C LYS A 81 -10.318 -1.473 -18.557 1.00 0.00 C ATOM 1319 O LYS A 81 -11.363 -1.280 -19.180 1.00 0.00 O ATOM 1320 CB LYS A 81 -10.705 -3.846 -17.800 1.00 0.00 C ATOM 1321 CG LYS A 81 -10.513 -5.304 -18.214 1.00 0.00 C ATOM 1322 CD LYS A 81 -9.122 -5.805 -17.877 1.00 0.00 C ATOM 1323 CE LYS A 81 -8.861 -7.180 -18.454 1.00 0.00 C ATOM 1324 NZ LYS A 81 -7.466 -7.610 -18.207 1.00 0.00 N ATOM 0 H LYS A 81 -8.494 -3.018 -16.758 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.527 -3.218 -19.477 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.604 -3.770 -16.717 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.721 -3.540 -18.048 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.255 -5.925 -17.712 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.686 -5.404 -19.286 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.381 -5.104 -18.261 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.000 -5.837 -16.794 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.550 -7.900 -18.011 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.057 -7.170 -19.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.382 -8.632 -18.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.826 -7.098 -18.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.208 -7.402 -17.221 1.00 0.00 H new ATOM 1338 N GLY A 82 -9.657 -0.502 -17.945 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.115 0.875 -18.018 1.00 0.00 C ATOM 1340 C GLY A 82 -11.356 1.140 -17.190 1.00 0.00 C ATOM 1341 O GLY A 82 -12.184 1.982 -17.553 1.00 0.00 O ATOM 0 H GLY A 82 -8.808 -0.641 -17.397 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.315 1.535 -17.682 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.320 1.127 -19.058 1.00 0.00 H new ATOM 1345 N ASP A 83 -11.495 0.426 -16.087 1.00 0.00 N ATOM 1346 CA ASP A 83 -12.635 0.609 -15.203 1.00 0.00 C ATOM 1347 C ASP A 83 -12.348 1.686 -14.176 1.00 0.00 C ATOM 1348 O ASP A 83 -12.027 1.396 -13.022 1.00 0.00 O ATOM 1349 CB ASP A 83 -13.024 -0.702 -14.510 1.00 0.00 C ATOM 1350 CG ASP A 83 -13.744 -1.657 -15.432 1.00 0.00 C ATOM 1351 OD1 ASP A 83 -14.984 -1.537 -15.566 1.00 0.00 O ATOM 1352 OD2 ASP A 83 -13.087 -2.530 -16.029 1.00 0.00 O1- ATOM 0 H ASP A 83 -10.833 -0.287 -15.781 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.479 0.926 -15.815 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.126 -1.184 -14.123 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -13.661 -0.480 -13.654 1.00 0.00 H new ATOM 1357 N LYS A 84 -12.459 2.933 -14.607 1.00 0.00 N ATOM 1358 CA LYS A 84 -12.176 4.083 -13.757 1.00 0.00 C ATOM 1359 C LYS A 84 -13.112 4.136 -12.559 1.00 0.00 C ATOM 1360 O LYS A 84 -12.682 4.441 -11.448 1.00 0.00 O ATOM 1361 CB LYS A 84 -12.276 5.383 -14.559 1.00 0.00 C ATOM 1362 CG LYS A 84 -12.077 6.641 -13.728 1.00 0.00 C ATOM 1363 CD LYS A 84 -12.226 7.895 -14.569 1.00 0.00 C ATOM 1364 CE LYS A 84 -12.087 9.147 -13.720 1.00 0.00 C ATOM 1365 NZ LYS A 84 -13.198 9.287 -12.739 1.00 0.00 N ATOM 0 H LYS A 84 -12.747 3.178 -15.554 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.157 3.972 -13.385 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -11.532 5.365 -15.355 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.254 5.428 -15.038 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -12.803 6.659 -12.915 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.087 6.624 -13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -11.471 7.900 -15.355 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.199 7.892 -15.061 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.136 9.119 -13.188 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.064 10.023 -14.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.071 10.163 -12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.106 9.323 -13.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.194 8.473 -12.092 1.00 0.00 H new ATOM 1379 N ASP A 85 -14.386 3.823 -12.786 1.00 0.00 N ATOM 1380 CA ASP A 85 -15.380 3.848 -11.714 1.00 0.00 C ATOM 1381 C ASP A 85 -14.983 2.887 -10.606 1.00 0.00 C ATOM 1382 O ASP A 85 -15.126 3.189 -9.427 1.00 0.00 O ATOM 1383 CB ASP A 85 -16.785 3.501 -12.245 1.00 0.00 C ATOM 1384 CG ASP A 85 -16.895 2.082 -12.779 1.00 0.00 C ATOM 1385 OD1 ASP A 85 -16.624 1.874 -13.981 1.00 0.00 O ATOM 1386 OD2 ASP A 85 -17.254 1.170 -12.001 1.00 0.00 O1- ATOM 0 H ASP A 85 -14.754 3.550 -13.698 1.00 0.00 H new ATOM 0 HA ASP A 85 -15.414 4.860 -11.311 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -17.512 3.637 -11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -17.049 4.201 -13.038 1.00 0.00 H new ATOM 1391 N SER A 86 -14.466 1.742 -10.996 1.00 0.00 N ATOM 1392 CA SER A 86 -14.017 0.757 -10.054 1.00 0.00 C ATOM 1393 C SER A 86 -12.726 1.222 -9.373 1.00 0.00 C ATOM 1394 O SER A 86 -12.548 1.032 -8.178 1.00 0.00 O ATOM 1395 CB SER A 86 -13.811 -0.571 -10.771 1.00 0.00 C ATOM 1396 OG SER A 86 -14.954 -0.884 -11.562 1.00 0.00 O ATOM 0 H SER A 86 -14.348 1.474 -11.973 1.00 0.00 H new ATOM 0 HA SER A 86 -14.772 0.623 -9.279 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.925 -0.518 -11.404 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.635 -1.363 -10.043 1.00 0.00 H new ATOM 0 HG SER A 86 -14.811 -1.739 -12.020 1.00 0.00 H new ATOM 1402 N LEU A 87 -11.849 1.864 -10.149 1.00 0.00 N ATOM 1403 CA LEU A 87 -10.563 2.354 -9.644 1.00 0.00 C ATOM 1404 C LEU A 87 -10.744 3.361 -8.516 1.00 0.00 C ATOM 1405 O LEU A 87 -10.115 3.244 -7.466 1.00 0.00 O ATOM 1406 CB LEU A 87 -9.751 2.988 -10.777 1.00 0.00 C ATOM 1407 CG LEU A 87 -9.299 2.037 -11.880 1.00 0.00 C ATOM 1408 CD1 LEU A 87 -8.584 2.789 -12.989 1.00 0.00 C ATOM 1409 CD2 LEU A 87 -8.399 0.972 -11.307 1.00 0.00 C ATOM 0 H LEU A 87 -12.008 2.058 -11.138 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.023 1.495 -9.246 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.349 3.780 -11.228 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.868 3.461 -10.346 1.00 0.00 H new ATOM 0 HG LEU A 87 -10.183 1.564 -12.308 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.272 2.087 -13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.258 3.529 -13.421 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.707 3.292 -12.581 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.081 0.298 -12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.524 1.439 -10.856 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.941 0.408 -10.548 1.00 0.00 H new ATOM 1421 N GLU A 88 -11.612 4.338 -8.728 1.00 0.00 N ATOM 1422 CA GLU A 88 -11.856 5.358 -7.724 1.00 0.00 C ATOM 1423 C GLU A 88 -12.506 4.769 -6.471 1.00 0.00 C ATOM 1424 O GLU A 88 -12.204 5.188 -5.351 1.00 0.00 O ATOM 1425 CB GLU A 88 -12.656 6.533 -8.303 1.00 0.00 C ATOM 1426 CG GLU A 88 -13.909 6.140 -9.058 1.00 0.00 C ATOM 1427 CD GLU A 88 -14.466 7.290 -9.862 1.00 0.00 C ATOM 1428 OE1 GLU A 88 -14.170 7.377 -11.074 1.00 0.00 O ATOM 1429 OE2 GLU A 88 -15.182 8.131 -9.288 1.00 0.00 O1- ATOM 0 H GLU A 88 -12.157 4.445 -9.584 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.890 5.758 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.935 7.201 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.009 7.100 -8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.685 5.306 -9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.663 5.791 -8.353 1.00 0.00 H new ATOM 1436 N GLN A 89 -13.384 3.787 -6.660 1.00 0.00 N ATOM 1437 CA GLN A 89 -14.008 3.100 -5.531 1.00 0.00 C ATOM 1438 C GLN A 89 -12.963 2.281 -4.766 1.00 0.00 C ATOM 1439 O GLN A 89 -13.023 2.159 -3.541 1.00 0.00 O ATOM 1440 CB GLN A 89 -15.148 2.199 -6.003 1.00 0.00 C ATOM 1441 CG GLN A 89 -16.366 2.959 -6.504 1.00 0.00 C ATOM 1442 CD GLN A 89 -17.472 2.038 -6.982 1.00 0.00 C ATOM 1443 OE1 GLN A 89 -17.214 0.944 -7.489 1.00 0.00 O ATOM 1444 NE2 GLN A 89 -18.708 2.464 -6.810 1.00 0.00 N ATOM 0 H GLN A 89 -13.678 3.451 -7.577 1.00 0.00 H new ATOM 0 HA GLN A 89 -14.425 3.852 -4.862 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.781 1.553 -6.801 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -15.450 1.550 -5.181 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -16.747 3.594 -5.705 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -16.068 3.618 -7.320 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -18.879 3.376 -6.386 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -19.493 1.882 -7.101 1.00 0.00 H new ATOM 1453 N LEU A 90 -12.004 1.726 -5.503 1.00 0.00 N ATOM 1454 CA LEU A 90 -10.903 0.972 -4.912 1.00 0.00 C ATOM 1455 C LEU A 90 -10.017 1.890 -4.090 1.00 0.00 C ATOM 1456 O LEU A 90 -9.471 1.487 -3.063 1.00 0.00 O ATOM 1457 CB LEU A 90 -10.080 0.262 -5.991 1.00 0.00 C ATOM 1458 CG LEU A 90 -10.800 -0.861 -6.736 1.00 0.00 C ATOM 1459 CD1 LEU A 90 -9.927 -1.410 -7.845 1.00 0.00 C ATOM 1460 CD2 LEU A 90 -11.198 -1.969 -5.779 1.00 0.00 C ATOM 0 H LEU A 90 -11.968 1.786 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.327 0.212 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.750 1.004 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.184 -0.150 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.705 -0.448 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.457 -2.209 -8.364 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.691 -0.613 -8.550 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.004 -1.804 -7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.709 -2.759 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.306 -2.377 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.865 -1.568 -5.016 1.00 0.00 H new ATOM 1472 N LEU A 91 -9.876 3.131 -4.552 1.00 0.00 N ATOM 1473 CA LEU A 91 -9.087 4.130 -3.846 1.00 0.00 C ATOM 1474 C LEU A 91 -9.632 4.339 -2.440 1.00 0.00 C ATOM 1475 O LEU A 91 -8.877 4.585 -1.509 1.00 0.00 O ATOM 1476 CB LEU A 91 -9.073 5.462 -4.603 1.00 0.00 C ATOM 1477 CG LEU A 91 -8.422 5.444 -5.989 1.00 0.00 C ATOM 1478 CD1 LEU A 91 -8.493 6.821 -6.627 1.00 0.00 C ATOM 1479 CD2 LEU A 91 -6.975 4.972 -5.900 1.00 0.00 C ATOM 0 H LEU A 91 -10.301 3.467 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.063 3.762 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.102 5.805 -4.712 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.554 6.199 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.972 4.742 -6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.026 6.790 -7.611 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.536 7.121 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.968 7.541 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.532 4.967 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.411 5.647 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.946 3.965 -5.485 1.00 0.00 H new ATOM 1491 N GLU A 92 -10.951 4.234 -2.296 1.00 0.00 N ATOM 1492 CA GLU A 92 -11.583 4.377 -0.993 1.00 0.00 C ATOM 1493 C GLU A 92 -11.103 3.270 -0.055 1.00 0.00 C ATOM 1494 O GLU A 92 -10.762 3.526 1.105 1.00 0.00 O ATOM 1495 CB GLU A 92 -13.099 4.322 -1.124 1.00 0.00 C ATOM 1496 CG GLU A 92 -13.828 4.565 0.180 1.00 0.00 C ATOM 1497 CD GLU A 92 -15.312 4.373 0.057 1.00 0.00 C ATOM 1498 OE1 GLU A 92 -15.849 3.435 0.681 1.00 0.00 O ATOM 1499 OE2 GLU A 92 -15.955 5.152 -0.664 1.00 0.00 O1- ATOM 0 H GLU A 92 -11.598 4.051 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.304 5.346 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.420 5.065 -1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.387 3.346 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.440 3.888 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -13.624 5.579 0.522 1.00 0.00 H new ATOM 1506 N GLU A 93 -11.061 2.037 -0.571 1.00 0.00 N ATOM 1507 CA GLU A 93 -10.558 0.901 0.201 1.00 0.00 C ATOM 1508 C GLU A 93 -9.107 1.137 0.556 1.00 0.00 C ATOM 1509 O GLU A 93 -8.667 0.864 1.673 1.00 0.00 O ATOM 1510 CB GLU A 93 -10.658 -0.401 -0.600 1.00 0.00 C ATOM 1511 CG GLU A 93 -12.068 -0.882 -0.874 1.00 0.00 C ATOM 1512 CD GLU A 93 -12.078 -2.268 -1.489 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -11.497 -3.192 -0.881 1.00 0.00 O ATOM 1514 OE2 GLU A 93 -12.674 -2.450 -2.568 1.00 0.00 O1- ATOM 0 H GLU A 93 -11.368 1.803 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.165 0.810 1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.147 -0.263 -1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.123 -1.183 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.636 -0.892 0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -12.567 -0.183 -1.545 1.00 0.00 H new ATOM 1521 N LEU A 94 -8.379 1.663 -0.413 1.00 0.00 N ATOM 1522 CA LEU A 94 -6.971 1.948 -0.270 1.00 0.00 C ATOM 1523 C LEU A 94 -6.727 2.971 0.835 1.00 0.00 C ATOM 1524 O LEU A 94 -5.858 2.778 1.681 1.00 0.00 O ATOM 1525 CB LEU A 94 -6.427 2.464 -1.598 1.00 0.00 C ATOM 1526 CG LEU A 94 -4.948 2.815 -1.632 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -4.095 1.573 -1.408 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -4.603 3.480 -2.951 1.00 0.00 C ATOM 0 H LEU A 94 -8.757 1.905 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.452 1.030 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.617 1.709 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.995 3.351 -1.879 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.734 3.516 -0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.040 1.846 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.332 1.139 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.302 0.843 -2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.542 3.728 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.829 2.799 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.190 4.391 -3.064 1.00 0.00 H new ATOM 1540 N GLU A 95 -7.514 4.046 0.838 1.00 0.00 N ATOM 1541 CA GLU A 95 -7.384 5.082 1.858 1.00 0.00 C ATOM 1542 C GLU A 95 -7.620 4.503 3.241 1.00 0.00 C ATOM 1543 O GLU A 95 -6.845 4.744 4.166 1.00 0.00 O ATOM 1544 CB GLU A 95 -8.360 6.231 1.606 1.00 0.00 C ATOM 1545 CG GLU A 95 -8.049 7.051 0.368 1.00 0.00 C ATOM 1546 CD GLU A 95 -8.948 8.258 0.240 1.00 0.00 C ATOM 1547 OE1 GLU A 95 -9.897 8.222 -0.573 1.00 0.00 O ATOM 1548 OE2 GLU A 95 -8.718 9.252 0.962 1.00 0.00 O1- ATOM 0 H GLU A 95 -8.245 4.221 0.148 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.368 5.473 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.367 5.824 1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.360 6.890 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.009 7.377 0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.158 6.424 -0.517 1.00 0.00 H new ATOM 1555 N GLN A 96 -8.682 3.720 3.370 1.00 0.00 N ATOM 1556 CA GLN A 96 -9.020 3.098 4.641 1.00 0.00 C ATOM 1557 C GLN A 96 -7.931 2.127 5.079 1.00 0.00 C ATOM 1558 O GLN A 96 -7.590 2.055 6.259 1.00 0.00 O ATOM 1559 CB GLN A 96 -10.366 2.378 4.551 1.00 0.00 C ATOM 1560 CG GLN A 96 -11.548 3.311 4.335 1.00 0.00 C ATOM 1561 CD GLN A 96 -11.702 4.328 5.450 1.00 0.00 C ATOM 1562 OE1 GLN A 96 -11.346 4.070 6.602 1.00 0.00 O ATOM 1563 NE2 GLN A 96 -12.237 5.483 5.125 1.00 0.00 N ATOM 0 H GLN A 96 -9.324 3.501 2.609 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.098 3.887 5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -10.329 1.659 3.733 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.526 1.810 5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.425 3.834 3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.462 2.722 4.258 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.520 5.661 4.161 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.370 6.202 5.836 1.00 0.00 H new ATOM 1572 N ALA A 97 -7.382 1.394 4.120 1.00 0.00 N ATOM 1573 CA ALA A 97 -6.325 0.433 4.397 1.00 0.00 C ATOM 1574 C ALA A 97 -5.064 1.137 4.878 1.00 0.00 C ATOM 1575 O ALA A 97 -4.419 0.692 5.823 1.00 0.00 O ATOM 1576 CB ALA A 97 -6.027 -0.402 3.161 1.00 0.00 C ATOM 0 H ALA A 97 -7.654 1.448 3.138 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.669 -0.230 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.234 -1.115 3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.926 -0.941 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.707 0.251 2.349 1.00 0.00 H new ATOM 1582 N LEU A 98 -4.726 2.244 4.230 1.00 0.00 N ATOM 1583 CA LEU A 98 -3.543 3.018 4.590 1.00 0.00 C ATOM 1584 C LEU A 98 -3.662 3.580 5.996 1.00 0.00 C ATOM 1585 O LEU A 98 -2.699 3.552 6.769 1.00 0.00 O ATOM 1586 CB LEU A 98 -3.321 4.149 3.590 1.00 0.00 C ATOM 1587 CG LEU A 98 -3.018 3.710 2.160 1.00 0.00 C ATOM 1588 CD1 LEU A 98 -2.916 4.915 1.247 1.00 0.00 C ATOM 1589 CD2 LEU A 98 -1.739 2.889 2.112 1.00 0.00 C ATOM 0 H LEU A 98 -5.257 2.628 3.448 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.684 2.347 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.210 4.780 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.496 4.768 3.944 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.838 3.083 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.700 4.584 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.860 5.461 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.115 5.568 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.540 2.585 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.907 3.489 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.852 2.003 2.737 1.00 0.00 H new ATOM 1601 N GLN A 99 -4.843 4.085 6.331 1.00 0.00 N ATOM 1602 CA GLN A 99 -5.078 4.621 7.662 1.00 0.00 C ATOM 1603 C GLN A 99 -5.006 3.500 8.683 1.00 0.00 C ATOM 1604 O GLN A 99 -4.442 3.663 9.760 1.00 0.00 O ATOM 1605 CB GLN A 99 -6.437 5.326 7.746 1.00 0.00 C ATOM 1606 CG GLN A 99 -6.640 6.412 6.697 1.00 0.00 C ATOM 1607 CD GLN A 99 -5.514 7.430 6.660 1.00 0.00 C ATOM 1608 OE1 GLN A 99 -4.879 7.719 7.676 1.00 0.00 O ATOM 1609 NE2 GLN A 99 -5.262 7.981 5.490 1.00 0.00 N ATOM 0 H GLN A 99 -5.646 4.134 5.704 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.305 5.359 7.876 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -7.227 4.582 7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -6.544 5.768 8.737 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.732 5.947 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.580 6.927 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.810 7.715 4.672 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -4.518 8.674 5.402 1.00 0.00 H new ATOM 1618 N LYS A 100 -5.548 2.344 8.307 1.00 0.00 N ATOM 1619 CA LYS A 100 -5.543 1.164 9.162 1.00 0.00 C ATOM 1620 C LYS A 100 -4.109 0.743 9.461 1.00 0.00 C ATOM 1621 O LYS A 100 -3.780 0.376 10.589 1.00 0.00 O ATOM 1622 CB LYS A 100 -6.289 0.019 8.466 1.00 0.00 C ATOM 1623 CG LYS A 100 -6.391 -1.256 9.283 1.00 0.00 C ATOM 1624 CD LYS A 100 -7.050 -2.367 8.480 1.00 0.00 C ATOM 1625 CE LYS A 100 -7.270 -3.616 9.319 1.00 0.00 C ATOM 1626 NZ LYS A 100 -8.147 -3.358 10.486 1.00 0.00 N ATOM 0 H LYS A 100 -6.001 2.201 7.404 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.044 1.401 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.295 0.357 8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.786 -0.207 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.396 -1.571 9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.967 -1.067 10.189 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.006 -2.017 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.427 -2.612 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.713 -4.395 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.308 -3.993 9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.503 -4.261 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.605 -2.867 11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.949 -2.764 10.193 1.00 0.00 H new ATOM 1640 N ILE A 101 -3.258 0.823 8.446 1.00 0.00 N ATOM 1641 CA ILE A 101 -1.852 0.480 8.590 1.00 0.00 C ATOM 1642 C ILE A 101 -1.186 1.372 9.636 1.00 0.00 C ATOM 1643 O ILE A 101 -0.466 0.886 10.511 1.00 0.00 O ATOM 1644 CB ILE A 101 -1.095 0.614 7.241 1.00 0.00 C ATOM 1645 CG1 ILE A 101 -1.584 -0.442 6.242 1.00 0.00 C ATOM 1646 CG2 ILE A 101 0.410 0.503 7.448 1.00 0.00 C ATOM 1647 CD1 ILE A 101 -0.931 -0.343 4.877 1.00 0.00 C ATOM 0 H ILE A 101 -3.521 1.125 7.508 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.802 -0.559 8.915 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.307 1.601 6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -1.395 -1.433 6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.664 -0.346 6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.917 0.600 6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.745 1.296 8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.646 -0.466 7.887 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.328 -1.122 4.226 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.142 0.634 4.443 1.00 0.00 H new ATOM 0 HD13 ILE A 101 0.147 -0.470 4.979 1.00 0.00 H new ATOM 1659 N ARG A 102 -1.449 2.670 9.560 1.00 0.00 N ATOM 1660 CA ARG A 102 -0.856 3.611 10.496 1.00 0.00 C ATOM 1661 C ARG A 102 -1.401 3.428 11.898 1.00 0.00 C ATOM 1662 O ARG A 102 -0.665 3.544 12.867 1.00 0.00 O ATOM 1663 CB ARG A 102 -1.038 5.048 10.041 1.00 0.00 C ATOM 1664 CG ARG A 102 -0.226 5.404 8.816 1.00 0.00 C ATOM 1665 CD ARG A 102 0.022 6.894 8.751 1.00 0.00 C ATOM 1666 NE ARG A 102 0.745 7.369 9.936 1.00 0.00 N ATOM 1667 CZ ARG A 102 1.294 8.573 10.056 1.00 0.00 C ATOM 1668 NH1 ARG A 102 1.174 9.466 9.078 1.00 0.00 N ATOM 1669 NH2 ARG A 102 1.956 8.883 11.162 1.00 0.00 N ATOM 0 H ARG A 102 -2.065 3.091 8.865 1.00 0.00 H new ATOM 0 HA ARG A 102 0.212 3.396 10.518 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.093 5.222 9.830 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.761 5.716 10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.726 4.873 8.838 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.752 5.079 7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.595 7.130 7.854 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.929 7.419 8.669 1.00 0.00 H new ATOM 0 HE ARG A 102 0.833 6.728 10.725 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.659 9.228 8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.597 10.389 9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.041 8.199 11.914 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.380 9.805 11.261 1.00 0.00 H new ATOM 1683 N GLU A 103 -2.687 3.128 12.004 1.00 0.00 N ATOM 1684 CA GLU A 103 -3.297 2.903 13.307 1.00 0.00 C ATOM 1685 C GLU A 103 -2.625 1.726 14.005 1.00 0.00 C ATOM 1686 O GLU A 103 -2.397 1.751 15.214 1.00 0.00 O ATOM 1687 CB GLU A 103 -4.798 2.642 13.166 1.00 0.00 C ATOM 1688 CG GLU A 103 -5.578 3.807 12.577 1.00 0.00 C ATOM 1689 CD GLU A 103 -5.488 5.060 13.418 1.00 0.00 C ATOM 1690 OE1 GLU A 103 -4.756 5.995 13.035 1.00 0.00 O ATOM 1691 OE2 GLU A 103 -6.167 5.126 14.467 1.00 0.00 O1- ATOM 0 H GLU A 103 -3.323 3.035 11.212 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.159 3.801 13.910 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.946 1.764 12.537 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.208 2.403 14.147 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.203 4.020 11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.624 3.521 12.471 1.00 0.00 H new ATOM 1698 N LEU A 104 -2.303 0.703 13.231 1.00 0.00 N ATOM 1699 CA LEU A 104 -1.629 -0.471 13.757 1.00 0.00 C ATOM 1700 C LEU A 104 -0.159 -0.169 14.066 1.00 0.00 C ATOM 1701 O LEU A 104 0.369 -0.597 15.093 1.00 0.00 O ATOM 1702 CB LEU A 104 -1.733 -1.639 12.771 1.00 0.00 C ATOM 1703 CG LEU A 104 -3.155 -2.095 12.423 1.00 0.00 C ATOM 1704 CD1 LEU A 104 -3.121 -3.229 11.412 1.00 0.00 C ATOM 1705 CD2 LEU A 104 -3.907 -2.521 13.677 1.00 0.00 C ATOM 0 H LEU A 104 -2.499 0.663 12.231 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.123 -0.752 14.687 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.226 -1.357 11.848 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.191 -2.489 13.185 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.683 -1.252 11.977 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.140 -3.539 11.178 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.627 -2.890 10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.572 -4.073 11.830 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.913 -2.841 13.407 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.380 -3.347 14.154 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.967 -1.681 14.369 1.00 0.00 H new ATOM 1717 N ALA A 105 0.488 0.584 13.177 1.00 0.00 N ATOM 1718 CA ALA A 105 1.909 0.913 13.327 1.00 0.00 C ATOM 1719 C ALA A 105 2.150 1.923 14.450 1.00 0.00 C ATOM 1720 O ALA A 105 3.214 1.932 15.068 1.00 0.00 O ATOM 1721 CB ALA A 105 2.468 1.437 12.013 1.00 0.00 C ATOM 0 H ALA A 105 0.052 0.979 12.344 1.00 0.00 H new ATOM 0 HA ALA A 105 2.431 -0.004 13.600 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.524 1.678 12.137 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.358 0.675 11.241 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.924 2.334 11.718 1.00 0.00 H new ATOM 1727 N GLU A 106 1.168 2.768 14.715 1.00 0.00 N ATOM 1728 CA GLU A 106 1.277 3.741 15.795 1.00 0.00 C ATOM 1729 C GLU A 106 0.870 3.123 17.124 1.00 0.00 C ATOM 1730 O GLU A 106 0.944 3.764 18.173 1.00 0.00 O ATOM 1731 CB GLU A 106 0.442 4.994 15.505 1.00 0.00 C ATOM 1732 CG GLU A 106 1.250 6.174 14.965 1.00 0.00 C ATOM 1733 CD GLU A 106 1.820 5.942 13.576 1.00 0.00 C ATOM 1734 OE1 GLU A 106 2.766 5.140 13.443 1.00 0.00 O ATOM 1735 OE2 GLU A 106 1.341 6.591 12.617 1.00 0.00 O1- ATOM 0 H GLU A 106 0.288 2.802 14.200 1.00 0.00 H new ATOM 0 HA GLU A 106 2.322 4.043 15.861 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -0.335 4.740 14.784 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -0.061 5.302 16.422 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.614 7.059 14.943 1.00 0.00 H new ATOM 0 HG3 GLU A 106 2.068 6.387 15.653 1.00 0.00 H new ATOM 1742 N LYS A 107 0.442 1.875 17.071 1.00 0.00 N ATOM 1743 CA LYS A 107 0.058 1.150 18.265 1.00 0.00 C ATOM 1744 C LYS A 107 1.256 0.368 18.806 1.00 0.00 C ATOM 1745 O LYS A 107 1.196 -0.214 19.897 1.00 0.00 O ATOM 1746 CB LYS A 107 -1.121 0.208 17.954 1.00 0.00 C ATOM 1747 CG LYS A 107 -1.610 -0.607 19.144 1.00 0.00 C ATOM 1748 CD LYS A 107 -2.841 -1.431 18.799 1.00 0.00 C ATOM 1749 CE LYS A 107 -4.076 -0.559 18.652 1.00 0.00 C ATOM 1750 NZ LYS A 107 -4.438 0.113 19.930 1.00 0.00 N ATOM 0 H LYS A 107 0.352 1.341 16.207 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.264 1.857 19.029 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.951 0.801 17.570 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.823 -0.476 17.159 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.813 -1.269 19.483 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -1.842 0.063 19.972 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -2.667 -1.975 17.871 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.011 -2.175 19.577 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.899 0.194 17.884 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.913 -1.170 18.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.429 0.426 19.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -4.318 -0.554 20.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.820 0.937 20.076 1.00 0.00 H new