USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 LYS NZ :NH3+ -150:sc= -6.67! (180deg=-6.08!) USER MOD Set 1.2: A 57 CYS SG : rot -71:sc= -1.38 USER MOD Set 2.1: A 8 ASN :FLIP amide:sc= -1.68 F(o=-6.7,f=-2.6) USER MOD Set 2.2: A 19 GLN : amide:sc= -0.934 K(o=-2.6,f=-16!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00271 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -125:sc= -0.494 (180deg=-1.7!) USER MOD Single : A 29 TYR OH : rot 108:sc= 0.0605 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc= -1.29 F(o=-4.7!,f=-1.3) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 143:sc= 0.979 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -163:sc= -0.0047 (180deg=-0.433) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N ARG A 6 -12.910 6.979 6.679 1.00 0.00 N ATOM 63 CA ARG A 6 -13.039 5.521 6.362 1.00 0.00 C ATOM 64 C ARG A 6 -13.219 5.337 4.851 1.00 0.00 C ATOM 65 O ARG A 6 -13.376 6.290 4.114 1.00 0.00 O ATOM 66 CB ARG A 6 -14.267 4.953 7.072 1.00 0.00 C ATOM 67 CG ARG A 6 -14.171 5.218 8.575 1.00 0.00 C ATOM 68 CD ARG A 6 -15.368 4.572 9.270 1.00 0.00 C ATOM 69 NE ARG A 6 -16.628 5.154 8.732 1.00 0.00 N ATOM 70 CZ ARG A 6 -17.761 4.536 8.915 1.00 0.00 C ATOM 71 NH1 ARG A 6 -17.788 3.399 9.552 1.00 0.00 N ATOM 72 NH2 ARG A 6 -18.867 5.052 8.453 1.00 0.00 N ATOM 0 HA ARG A 6 -12.140 5.002 6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.172 5.409 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.341 3.881 6.887 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -13.241 4.811 8.971 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.157 6.291 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.356 3.494 9.111 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.309 4.736 10.346 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.605 6.036 8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.922 2.993 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.675 2.916 9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.845 5.938 7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.754 4.569 8.596 1.00 0.00 H new ATOM 86 N ASP A 7 -13.215 4.112 4.384 1.00 0.00 N ATOM 87 CA ASP A 7 -13.403 3.864 2.922 1.00 0.00 C ATOM 88 C ASP A 7 -14.898 3.727 2.626 1.00 0.00 C ATOM 89 O ASP A 7 -15.730 3.884 3.497 1.00 0.00 O ATOM 90 CB ASP A 7 -12.681 2.575 2.514 1.00 0.00 C ATOM 91 CG ASP A 7 -13.331 1.374 3.202 1.00 0.00 C ATOM 92 OD1 ASP A 7 -14.252 1.582 3.976 1.00 0.00 O ATOM 93 OD2 ASP A 7 -12.897 0.265 2.942 1.00 0.00 O ATOM 0 H ASP A 7 -13.090 3.274 4.952 1.00 0.00 H new ATOM 0 HA ASP A 7 -12.988 4.698 2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -12.723 2.452 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -11.628 2.636 2.788 1.00 0.00 H new ATOM 98 N ASN A 8 -15.247 3.445 1.404 1.00 0.00 N ATOM 99 CA ASN A 8 -16.689 3.306 1.051 1.00 0.00 C ATOM 100 C ASN A 8 -17.296 2.105 1.787 1.00 0.00 C ATOM 101 O ASN A 8 -18.487 1.874 1.729 1.00 0.00 O ATOM 102 CB ASN A 8 -16.817 3.102 -0.461 1.00 0.00 C ATOM 103 CG ASN A 8 -16.319 4.356 -1.187 1.00 0.00 C ATOM 104 OD1 ASN A 8 -15.474 4.234 -2.176 1.00 0.00 O flip ATOM 105 ND2 ASN A 8 -16.700 5.457 -0.847 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.596 3.304 0.631 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.224 4.208 1.348 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.237 2.233 -0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -17.855 2.903 -0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.360 5.552 -0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.361 6.287 -1.333 1.00 0.00 H new ATOM 112 N ARG A 9 -16.487 1.334 2.476 1.00 0.00 N ATOM 113 CA ARG A 9 -17.009 0.142 3.214 1.00 0.00 C ATOM 114 C ARG A 9 -17.049 0.424 4.720 1.00 0.00 C ATOM 115 O ARG A 9 -17.711 -0.271 5.466 1.00 0.00 O ATOM 116 CB ARG A 9 -16.080 -1.039 2.961 1.00 0.00 C ATOM 117 CG ARG A 9 -16.119 -1.434 1.481 1.00 0.00 C ATOM 118 CD ARG A 9 -15.206 -2.644 1.270 1.00 0.00 C ATOM 119 NE ARG A 9 -14.883 -2.803 -0.186 1.00 0.00 N ATOM 120 CZ ARG A 9 -15.814 -2.973 -1.083 1.00 0.00 C ATOM 121 NH1 ARG A 9 -17.061 -3.116 -0.727 1.00 0.00 N ATOM 122 NH2 ARG A 9 -15.487 -3.046 -2.345 1.00 0.00 N ATOM 0 H ARG A 9 -15.481 1.482 2.558 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.017 -0.080 2.865 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.062 -0.778 3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.379 -1.886 3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -17.139 -1.674 1.181 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -15.791 -0.601 0.859 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.287 -2.519 1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.693 -3.545 1.642 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.908 -2.777 -0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.315 -3.095 0.261 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.782 -3.248 -1.436 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.509 -2.970 -2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.210 -3.179 -3.052 1.00 0.00 H new ATOM 136 N GLY A 10 -16.352 1.434 5.177 1.00 0.00 N ATOM 137 CA GLY A 10 -16.356 1.760 6.642 1.00 0.00 C ATOM 138 C GLY A 10 -15.072 1.251 7.317 1.00 0.00 C ATOM 139 O GLY A 10 -15.014 1.113 8.522 1.00 0.00 O ATOM 0 H GLY A 10 -15.779 2.050 4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.442 2.838 6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.226 1.308 7.118 1.00 0.00 H new ATOM 143 N ARG A 11 -14.036 0.983 6.561 1.00 0.00 N ATOM 144 CA ARG A 11 -12.761 0.502 7.188 1.00 0.00 C ATOM 145 C ARG A 11 -11.927 1.710 7.621 1.00 0.00 C ATOM 146 O ARG A 11 -11.849 2.698 6.922 1.00 0.00 O ATOM 147 CB ARG A 11 -11.943 -0.315 6.177 1.00 0.00 C ATOM 148 CG ARG A 11 -12.565 -1.706 5.962 1.00 0.00 C ATOM 149 CD ARG A 11 -11.519 -2.650 5.326 1.00 0.00 C ATOM 150 NE ARG A 11 -12.181 -3.562 4.344 1.00 0.00 N ATOM 151 CZ ARG A 11 -13.273 -4.217 4.650 1.00 0.00 C ATOM 152 NH1 ARG A 11 -13.734 -4.207 5.871 1.00 0.00 N ATOM 153 NH2 ARG A 11 -13.879 -4.925 3.737 1.00 0.00 N ATOM 0 H ARG A 11 -14.015 1.075 5.545 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.007 -0.123 8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.896 0.217 5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.919 -0.422 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.906 -2.114 6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.440 -1.628 5.316 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.746 -2.066 4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.026 -3.235 6.102 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.774 -3.677 3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.243 -3.686 6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.585 -4.720 6.099 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.502 -4.966 2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.730 -5.437 3.970 1.00 0.00 H new ATOM 167 N ILE A 12 -11.292 1.638 8.763 1.00 0.00 N ATOM 168 CA ILE A 12 -10.458 2.788 9.221 1.00 0.00 C ATOM 169 C ILE A 12 -9.096 2.743 8.522 1.00 0.00 C ATOM 170 O ILE A 12 -8.233 1.964 8.877 1.00 0.00 O ATOM 171 CB ILE A 12 -10.233 2.699 10.734 1.00 0.00 C ATOM 172 CG1 ILE A 12 -11.587 2.645 11.479 1.00 0.00 C ATOM 173 CG2 ILE A 12 -9.414 3.911 11.197 1.00 0.00 C ATOM 174 CD1 ILE A 12 -12.186 4.052 11.658 1.00 0.00 C ATOM 0 H ILE A 12 -11.315 0.837 9.394 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.975 3.717 8.978 1.00 0.00 H new ATOM 0 HB ILE A 12 -9.684 1.786 10.963 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.285 2.019 10.923 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.449 2.180 12.455 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.252 3.851 12.273 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.452 3.917 10.685 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.956 4.827 10.962 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.137 3.978 12.185 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -11.498 4.670 12.236 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.347 4.506 10.680 1.00 0.00 H new ATOM 186 N LEU A 13 -8.896 3.578 7.535 1.00 0.00 N ATOM 187 CA LEU A 13 -7.588 3.603 6.807 1.00 0.00 C ATOM 188 C LEU A 13 -6.732 4.763 7.350 1.00 0.00 C ATOM 189 O LEU A 13 -7.249 5.762 7.811 1.00 0.00 O ATOM 190 CB LEU A 13 -7.843 3.762 5.293 1.00 0.00 C ATOM 191 CG LEU A 13 -9.142 4.536 5.031 1.00 0.00 C ATOM 192 CD1 LEU A 13 -9.026 5.968 5.581 1.00 0.00 C ATOM 193 CD2 LEU A 13 -9.396 4.576 3.519 1.00 0.00 C ATOM 0 H LEU A 13 -9.587 4.249 7.199 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.050 2.668 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.005 4.285 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.901 2.779 4.825 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.972 4.039 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.953 6.508 5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.843 5.932 6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.200 6.481 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.317 5.124 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.563 5.074 3.023 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.489 3.559 3.139 1.00 0.00 H new ATOM 205 N LYS A 14 -5.427 4.627 7.326 1.00 0.00 N ATOM 206 CA LYS A 14 -4.545 5.711 7.870 1.00 0.00 C ATOM 207 C LYS A 14 -4.191 6.744 6.801 1.00 0.00 C ATOM 208 O LYS A 14 -4.686 6.729 5.691 1.00 0.00 O ATOM 209 CB LYS A 14 -3.245 5.115 8.402 1.00 0.00 C ATOM 210 CG LYS A 14 -3.537 4.250 9.628 1.00 0.00 C ATOM 211 CD LYS A 14 -2.220 3.713 10.203 1.00 0.00 C ATOM 212 CE LYS A 14 -2.444 3.258 11.645 1.00 0.00 C ATOM 213 NZ LYS A 14 -1.178 2.696 12.197 1.00 0.00 N ATOM 0 H LYS A 14 -4.935 3.815 6.954 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.100 6.201 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.765 4.516 7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.549 5.912 8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.063 4.836 10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.191 3.422 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.859 2.880 9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.453 4.487 10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.776 4.099 12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.233 2.507 11.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.334 2.387 13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.879 1.883 11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.437 3.425 12.177 1.00 0.00 H new ATOM 227 N THR A 15 -3.326 7.648 7.168 1.00 0.00 N ATOM 228 CA THR A 15 -2.882 8.734 6.240 1.00 0.00 C ATOM 229 C THR A 15 -2.233 8.154 4.976 1.00 0.00 C ATOM 230 O THR A 15 -1.466 7.214 5.034 1.00 0.00 O ATOM 231 CB THR A 15 -1.863 9.628 6.961 1.00 0.00 C ATOM 232 OG1 THR A 15 -2.363 9.969 8.246 1.00 0.00 O ATOM 233 CG2 THR A 15 -1.631 10.907 6.153 1.00 0.00 C ATOM 0 H THR A 15 -2.897 7.683 8.093 1.00 0.00 H new ATOM 0 HA THR A 15 -3.758 9.312 5.945 1.00 0.00 H new ATOM 0 HB THR A 15 -0.921 9.090 7.062 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.714 10.538 8.709 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.907 11.537 6.669 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.248 10.649 5.166 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.572 11.447 6.048 1.00 0.00 H new ATOM 241 N GLY A 16 -2.510 8.739 3.834 1.00 0.00 N ATOM 242 CA GLY A 16 -1.883 8.265 2.558 1.00 0.00 C ATOM 243 C GLY A 16 -2.797 7.284 1.819 1.00 0.00 C ATOM 244 O GLY A 16 -2.886 7.311 0.606 1.00 0.00 O ATOM 0 H GLY A 16 -3.147 9.529 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.669 9.120 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.930 7.783 2.776 1.00 0.00 H new ATOM 248 N GLU A 17 -3.469 6.415 2.516 1.00 0.00 N ATOM 249 CA GLU A 17 -4.355 5.446 1.815 1.00 0.00 C ATOM 250 C GLU A 17 -5.597 6.165 1.288 1.00 0.00 C ATOM 251 O GLU A 17 -6.024 7.169 1.823 1.00 0.00 O ATOM 252 CB GLU A 17 -4.791 4.349 2.788 1.00 0.00 C ATOM 253 CG GLU A 17 -3.620 3.408 3.104 1.00 0.00 C ATOM 254 CD GLU A 17 -2.685 4.053 4.132 1.00 0.00 C ATOM 255 OE1 GLU A 17 -3.050 5.079 4.682 1.00 0.00 O ATOM 256 OE2 GLU A 17 -1.620 3.502 4.357 1.00 0.00 O ATOM 0 H GLU A 17 -3.445 6.333 3.532 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.807 5.005 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.161 4.799 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.615 3.780 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.999 2.461 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.069 3.183 2.191 1.00 0.00 H new ATOM 263 N SER A 18 -6.182 5.646 0.247 1.00 0.00 N ATOM 264 CA SER A 18 -7.404 6.269 -0.326 1.00 0.00 C ATOM 265 C SER A 18 -8.118 5.225 -1.178 1.00 0.00 C ATOM 266 O SER A 18 -7.507 4.287 -1.654 1.00 0.00 O ATOM 267 CB SER A 18 -7.016 7.469 -1.190 1.00 0.00 C ATOM 268 OG SER A 18 -8.192 8.068 -1.719 1.00 0.00 O ATOM 0 H SER A 18 -5.861 4.807 -0.236 1.00 0.00 H new ATOM 0 HA SER A 18 -8.061 6.614 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.460 8.195 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.360 7.151 -2.000 1.00 0.00 H new ATOM 0 HG SER A 18 -7.946 8.839 -2.272 1.00 0.00 H new ATOM 274 N GLN A 19 -9.401 5.365 -1.375 1.00 0.00 N ATOM 275 CA GLN A 19 -10.139 4.361 -2.197 1.00 0.00 C ATOM 276 C GLN A 19 -10.264 4.866 -3.629 1.00 0.00 C ATOM 277 O GLN A 19 -10.492 6.032 -3.880 1.00 0.00 O ATOM 278 CB GLN A 19 -11.534 4.137 -1.607 1.00 0.00 C ATOM 279 CG GLN A 19 -12.261 3.023 -2.386 1.00 0.00 C ATOM 280 CD GLN A 19 -13.314 2.370 -1.487 1.00 0.00 C ATOM 281 OE1 GLN A 19 -13.870 3.013 -0.619 1.00 0.00 O ATOM 282 NE2 GLN A 19 -13.605 1.111 -1.653 1.00 0.00 N ATOM 0 H GLN A 19 -9.969 6.127 -1.005 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.591 3.419 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.454 3.864 -0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.111 5.061 -1.653 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.735 3.437 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.544 2.275 -2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.138 0.571 -2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.300 0.665 -1.054 1.00 0.00 H new ATOM 291 N ARG A 20 -10.105 3.982 -4.569 1.00 0.00 N ATOM 292 CA ARG A 20 -10.198 4.370 -5.999 1.00 0.00 C ATOM 293 C ARG A 20 -11.665 4.377 -6.420 1.00 0.00 C ATOM 294 O ARG A 20 -12.467 3.607 -5.930 1.00 0.00 O ATOM 295 CB ARG A 20 -9.425 3.343 -6.837 1.00 0.00 C ATOM 296 CG ARG A 20 -9.290 3.814 -8.296 1.00 0.00 C ATOM 297 CD ARG A 20 -8.054 4.710 -8.449 1.00 0.00 C ATOM 298 NE ARG A 20 -8.182 5.539 -9.675 1.00 0.00 N ATOM 299 CZ ARG A 20 -7.447 6.606 -9.813 1.00 0.00 C ATOM 300 NH1 ARG A 20 -6.606 6.941 -8.870 1.00 0.00 N ATOM 301 NH2 ARG A 20 -7.550 7.340 -10.886 1.00 0.00 N ATOM 0 H ARG A 20 -9.912 2.994 -4.405 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.775 5.363 -6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.435 3.188 -6.408 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.939 2.382 -6.807 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.208 2.952 -8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.184 4.361 -8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.948 5.352 -7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.154 4.097 -8.505 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.842 5.274 -10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.527 6.368 -8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.029 7.776 -8.974 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.208 7.080 -11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.973 8.175 -10.990 1.00 0.00 H new ATOM 315 N LYS A 21 -12.021 5.233 -7.332 1.00 0.00 N ATOM 316 CA LYS A 21 -13.433 5.276 -7.792 1.00 0.00 C ATOM 317 C LYS A 21 -13.793 3.892 -8.316 1.00 0.00 C ATOM 318 O LYS A 21 -14.949 3.536 -8.444 1.00 0.00 O ATOM 319 CB LYS A 21 -13.581 6.300 -8.929 1.00 0.00 C ATOM 320 CG LYS A 21 -13.073 7.694 -8.479 1.00 0.00 C ATOM 321 CD LYS A 21 -11.652 7.943 -9.012 1.00 0.00 C ATOM 322 CE LYS A 21 -11.134 9.301 -8.516 1.00 0.00 C ATOM 323 NZ LYS A 21 -11.595 10.373 -9.442 1.00 0.00 N ATOM 0 H LYS A 21 -11.396 5.904 -7.779 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.089 5.564 -6.970 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.019 5.966 -9.801 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.626 6.368 -9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.747 8.469 -8.844 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.076 7.756 -7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.986 7.147 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.655 7.922 -10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.498 9.495 -7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.045 9.291 -8.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.246 11.294 -9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.227 10.188 -10.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.635 10.386 -9.468 1.00 0.00 H new ATOM 337 N ASP A 22 -12.795 3.110 -8.624 1.00 0.00 N ATOM 338 CA ASP A 22 -13.044 1.737 -9.150 1.00 0.00 C ATOM 339 C ASP A 22 -13.131 0.740 -7.988 1.00 0.00 C ATOM 340 O ASP A 22 -13.706 -0.322 -8.121 1.00 0.00 O ATOM 341 CB ASP A 22 -11.895 1.349 -10.082 1.00 0.00 C ATOM 342 CG ASP A 22 -11.938 2.241 -11.325 1.00 0.00 C ATOM 343 OD1 ASP A 22 -13.007 2.748 -11.628 1.00 0.00 O ATOM 344 OD2 ASP A 22 -10.904 2.404 -11.950 1.00 0.00 O ATOM 0 H ASP A 22 -11.811 3.364 -8.533 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.986 1.719 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.940 1.463 -9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.980 0.301 -10.368 1.00 0.00 H new ATOM 349 N GLY A 23 -12.584 1.082 -6.842 1.00 0.00 N ATOM 350 CA GLY A 23 -12.651 0.165 -5.653 1.00 0.00 C ATOM 351 C GLY A 23 -11.244 -0.258 -5.223 1.00 0.00 C ATOM 352 O GLY A 23 -10.975 -0.421 -4.049 1.00 0.00 O ATOM 0 H GLY A 23 -12.092 1.960 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.155 0.667 -4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.243 -0.717 -5.899 1.00 0.00 H new ATOM 356 N ARG A 24 -10.343 -0.445 -6.149 1.00 0.00 N ATOM 357 CA ARG A 24 -8.967 -0.866 -5.752 1.00 0.00 C ATOM 358 C ARG A 24 -8.364 0.192 -4.824 1.00 0.00 C ATOM 359 O ARG A 24 -8.560 1.374 -5.003 1.00 0.00 O ATOM 360 CB ARG A 24 -8.075 -1.064 -6.994 1.00 0.00 C ATOM 361 CG ARG A 24 -8.427 -0.049 -8.083 1.00 0.00 C ATOM 362 CD ARG A 24 -7.435 -0.182 -9.242 1.00 0.00 C ATOM 363 NE ARG A 24 -7.726 -1.428 -10.010 1.00 0.00 N ATOM 364 CZ ARG A 24 -7.228 -1.591 -11.210 1.00 0.00 C ATOM 365 NH1 ARG A 24 -6.491 -0.657 -11.746 1.00 0.00 N ATOM 366 NH2 ARG A 24 -7.475 -2.688 -11.876 1.00 0.00 N ATOM 0 H ARG A 24 -10.496 -0.327 -7.151 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.024 -1.819 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.027 -0.956 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.200 -2.076 -7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.443 -0.218 -8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.396 0.962 -7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.507 0.686 -9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.415 -0.209 -8.859 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.314 -2.154 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.302 0.202 -11.230 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.104 -0.786 -12.681 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.056 -3.417 -11.461 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.087 -2.815 -12.811 1.00 0.00 H new ATOM 380 N TYR A 25 -7.647 -0.232 -3.820 1.00 0.00 N ATOM 381 CA TYR A 25 -7.048 0.736 -2.865 1.00 0.00 C ATOM 382 C TYR A 25 -5.832 1.416 -3.491 1.00 0.00 C ATOM 383 O TYR A 25 -5.375 1.045 -4.555 1.00 0.00 O ATOM 384 CB TYR A 25 -6.626 0.000 -1.594 1.00 0.00 C ATOM 385 CG TYR A 25 -7.855 -0.548 -0.906 1.00 0.00 C ATOM 386 CD1 TYR A 25 -8.786 0.330 -0.337 1.00 0.00 C ATOM 387 CD2 TYR A 25 -8.067 -1.932 -0.839 1.00 0.00 C ATOM 388 CE1 TYR A 25 -9.926 -0.174 0.300 1.00 0.00 C ATOM 389 CE2 TYR A 25 -9.207 -2.435 -0.204 1.00 0.00 C ATOM 390 CZ TYR A 25 -10.136 -1.558 0.366 1.00 0.00 C ATOM 391 OH TYR A 25 -11.260 -2.056 0.992 1.00 0.00 O ATOM 0 H TYR A 25 -7.451 -1.213 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.789 1.497 -2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.940 -0.811 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -6.093 0.678 -0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.624 1.397 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.350 -2.610 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.643 0.503 0.740 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.370 -3.501 -0.154 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.252 -3.035 0.948 1.00 0.00 H new ATOM 401 N LEU A 26 -5.319 2.423 -2.837 1.00 0.00 N ATOM 402 CA LEU A 26 -4.144 3.165 -3.375 1.00 0.00 C ATOM 403 C LEU A 26 -3.378 3.823 -2.218 1.00 0.00 C ATOM 404 O LEU A 26 -3.951 4.499 -1.385 1.00 0.00 O ATOM 405 CB LEU A 26 -4.674 4.244 -4.336 1.00 0.00 C ATOM 406 CG LEU A 26 -3.538 5.141 -4.860 1.00 0.00 C ATOM 407 CD1 LEU A 26 -2.533 4.321 -5.696 1.00 0.00 C ATOM 408 CD2 LEU A 26 -4.157 6.253 -5.717 1.00 0.00 C ATOM 0 H LEU A 26 -5.669 2.767 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.467 2.490 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.180 3.768 -5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.416 4.857 -3.823 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.995 5.572 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.739 4.976 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.102 3.534 -5.077 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.047 3.873 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.368 6.901 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.698 5.810 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.846 6.840 -5.109 1.00 0.00 H new ATOM 420 N TYR A 27 -2.080 3.646 -2.178 1.00 0.00 N ATOM 421 CA TYR A 27 -1.244 4.273 -1.100 1.00 0.00 C ATOM 422 C TYR A 27 -0.009 4.895 -1.755 1.00 0.00 C ATOM 423 O TYR A 27 0.327 4.574 -2.877 1.00 0.00 O ATOM 424 CB TYR A 27 -0.815 3.207 -0.085 1.00 0.00 C ATOM 425 CG TYR A 27 0.086 3.822 0.966 1.00 0.00 C ATOM 426 CD1 TYR A 27 -0.449 4.673 1.943 1.00 0.00 C ATOM 427 CD2 TYR A 27 1.458 3.533 0.970 1.00 0.00 C ATOM 428 CE1 TYR A 27 0.385 5.232 2.918 1.00 0.00 C ATOM 429 CE2 TYR A 27 2.289 4.098 1.948 1.00 0.00 C ATOM 430 CZ TYR A 27 1.753 4.945 2.919 1.00 0.00 C ATOM 431 OH TYR A 27 2.572 5.501 3.881 1.00 0.00 O ATOM 0 H TYR A 27 -1.556 3.088 -2.852 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.818 5.037 -0.576 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.694 2.770 0.389 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.292 2.398 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.505 4.897 1.943 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.874 2.876 0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -0.029 5.886 3.671 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.346 3.877 1.950 1.00 0.00 H new ATOM 0 HH TYR A 27 3.494 5.199 3.740 1.00 0.00 H new ATOM 441 N LYS A 28 0.663 5.791 -1.074 1.00 0.00 N ATOM 442 CA LYS A 28 1.874 6.454 -1.664 1.00 0.00 C ATOM 443 C LYS A 28 3.069 6.304 -0.721 1.00 0.00 C ATOM 444 O LYS A 28 2.968 6.523 0.470 1.00 0.00 O ATOM 445 CB LYS A 28 1.587 7.948 -1.864 1.00 0.00 C ATOM 446 CG LYS A 28 2.741 8.623 -2.653 1.00 0.00 C ATOM 447 CD LYS A 28 2.939 10.064 -2.166 1.00 0.00 C ATOM 448 CE LYS A 28 3.850 10.812 -3.139 1.00 0.00 C ATOM 449 NZ LYS A 28 4.391 12.033 -2.476 1.00 0.00 N ATOM 0 H LYS A 28 0.425 6.095 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 28 2.105 5.982 -2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.648 8.075 -2.402 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.468 8.434 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.663 8.056 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.514 8.619 -3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.976 10.569 -2.092 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.377 10.065 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.668 10.166 -3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.294 11.088 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.171 12.869 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.958 12.138 -1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.422 11.945 -2.374 1.00 0.00 H new ATOM 463 N TYR A 29 4.210 5.954 -1.262 1.00 0.00 N ATOM 464 CA TYR A 29 5.442 5.811 -0.429 1.00 0.00 C ATOM 465 C TYR A 29 6.610 6.428 -1.200 1.00 0.00 C ATOM 466 O TYR A 29 6.495 6.733 -2.372 1.00 0.00 O ATOM 467 CB TYR A 29 5.714 4.325 -0.130 1.00 0.00 C ATOM 468 CG TYR A 29 6.290 3.626 -1.345 1.00 0.00 C ATOM 469 CD1 TYR A 29 5.506 3.463 -2.490 1.00 0.00 C ATOM 470 CD2 TYR A 29 7.606 3.136 -1.323 1.00 0.00 C ATOM 471 CE1 TYR A 29 6.033 2.816 -3.612 1.00 0.00 C ATOM 472 CE2 TYR A 29 8.129 2.490 -2.443 1.00 0.00 C ATOM 473 CZ TYR A 29 7.345 2.328 -3.590 1.00 0.00 C ATOM 474 OH TYR A 29 7.863 1.689 -4.696 1.00 0.00 O ATOM 0 H TYR A 29 4.340 5.760 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 29 5.315 6.323 0.525 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.407 4.239 0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.788 3.835 0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.493 3.837 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.213 3.259 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.427 2.693 -4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.141 2.114 -2.425 1.00 0.00 H new ATOM 0 HH TYR A 29 8.523 2.269 -5.130 1.00 0.00 H new ATOM 484 N ILE A 30 7.726 6.629 -0.556 1.00 0.00 N ATOM 485 CA ILE A 30 8.900 7.241 -1.248 1.00 0.00 C ATOM 486 C ILE A 30 9.889 6.141 -1.631 1.00 0.00 C ATOM 487 O ILE A 30 10.227 5.289 -0.832 1.00 0.00 O ATOM 488 CB ILE A 30 9.569 8.244 -0.302 1.00 0.00 C ATOM 489 CG1 ILE A 30 8.512 9.200 0.278 1.00 0.00 C ATOM 490 CG2 ILE A 30 10.614 9.047 -1.072 1.00 0.00 C ATOM 491 CD1 ILE A 30 7.643 9.781 -0.844 1.00 0.00 C ATOM 0 H ILE A 30 7.878 6.395 0.425 1.00 0.00 H new ATOM 0 HA ILE A 30 8.576 7.758 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 30 10.050 7.704 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.885 8.668 0.994 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.002 10.007 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.091 9.761 -0.401 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.367 8.371 -1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.131 9.583 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.900 10.455 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.272 10.331 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.138 8.971 -1.370 1.00 0.00 H new ATOM 503 N ASP A 31 10.350 6.144 -2.853 1.00 0.00 N ATOM 504 CA ASP A 31 11.306 5.092 -3.296 1.00 0.00 C ATOM 505 C ASP A 31 12.722 5.466 -2.854 1.00 0.00 C ATOM 506 O ASP A 31 12.931 6.427 -2.142 1.00 0.00 O ATOM 507 CB ASP A 31 11.255 4.965 -4.822 1.00 0.00 C ATOM 508 CG ASP A 31 9.839 4.581 -5.258 1.00 0.00 C ATOM 509 OD1 ASP A 31 9.016 4.342 -4.388 1.00 0.00 O ATOM 510 OD2 ASP A 31 9.600 4.533 -6.454 1.00 0.00 O ATOM 0 H ASP A 31 10.104 6.832 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 31 11.031 4.138 -2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.546 5.908 -5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.967 4.211 -5.158 1.00 0.00 H new ATOM 515 N SER A 32 13.694 4.703 -3.268 1.00 0.00 N ATOM 516 CA SER A 32 15.104 4.988 -2.877 1.00 0.00 C ATOM 517 C SER A 32 15.619 6.225 -3.617 1.00 0.00 C ATOM 518 O SER A 32 16.726 6.672 -3.393 1.00 0.00 O ATOM 519 CB SER A 32 15.975 3.784 -3.234 1.00 0.00 C ATOM 520 OG SER A 32 15.563 2.664 -2.462 1.00 0.00 O ATOM 0 H SER A 32 13.571 3.886 -3.866 1.00 0.00 H new ATOM 0 HA SER A 32 15.147 5.175 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.888 3.560 -4.297 1.00 0.00 H new ATOM 0 HB3 SER A 32 17.024 4.008 -3.040 1.00 0.00 H new ATOM 0 HG SER A 32 16.118 1.889 -2.689 1.00 0.00 H new ATOM 526 N PHE A 33 14.836 6.773 -4.510 1.00 0.00 N ATOM 527 CA PHE A 33 15.297 7.970 -5.280 1.00 0.00 C ATOM 528 C PHE A 33 14.707 9.241 -4.669 1.00 0.00 C ATOM 529 O PHE A 33 15.096 10.339 -5.011 1.00 0.00 O ATOM 530 CB PHE A 33 14.810 7.844 -6.723 1.00 0.00 C ATOM 531 CG PHE A 33 15.198 6.489 -7.262 1.00 0.00 C ATOM 532 CD1 PHE A 33 14.480 5.353 -6.867 1.00 0.00 C ATOM 533 CD2 PHE A 33 16.270 6.365 -8.153 1.00 0.00 C ATOM 534 CE1 PHE A 33 14.832 4.093 -7.364 1.00 0.00 C ATOM 535 CE2 PHE A 33 16.623 5.106 -8.649 1.00 0.00 C ATOM 536 CZ PHE A 33 15.905 3.970 -8.256 1.00 0.00 C ATOM 0 H PHE A 33 13.898 6.445 -4.740 1.00 0.00 H new ATOM 0 HA PHE A 33 16.385 8.025 -5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 33 13.728 7.970 -6.766 1.00 0.00 H new ATOM 0 HB3 PHE A 33 15.247 8.631 -7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 33 13.654 5.450 -6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 33 16.824 7.241 -8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 33 14.278 3.217 -7.060 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.451 5.010 -9.336 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.179 2.999 -8.641 1.00 0.00 H new ATOM 546 N GLY A 34 13.770 9.108 -3.769 1.00 0.00 N ATOM 547 CA GLY A 34 13.164 10.320 -3.148 1.00 0.00 C ATOM 548 C GLY A 34 12.011 10.802 -4.024 1.00 0.00 C ATOM 549 O GLY A 34 11.360 11.786 -3.729 1.00 0.00 O ATOM 0 H GLY A 34 13.400 8.217 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.804 10.090 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.913 11.105 -3.045 1.00 0.00 H new ATOM 553 N GLU A 35 11.752 10.113 -5.104 1.00 0.00 N ATOM 554 CA GLU A 35 10.639 10.525 -5.999 1.00 0.00 C ATOM 555 C GLU A 35 9.328 9.959 -5.446 1.00 0.00 C ATOM 556 O GLU A 35 9.313 8.885 -4.878 1.00 0.00 O ATOM 557 CB GLU A 35 10.882 9.953 -7.401 1.00 0.00 C ATOM 558 CG GLU A 35 10.841 8.420 -7.344 1.00 0.00 C ATOM 559 CD GLU A 35 11.495 7.835 -8.601 1.00 0.00 C ATOM 560 OE1 GLU A 35 11.194 8.315 -9.682 1.00 0.00 O ATOM 561 OE2 GLU A 35 12.285 6.917 -8.460 1.00 0.00 O ATOM 0 H GLU A 35 12.265 9.283 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 35 10.585 11.612 -6.051 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.124 10.322 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.848 10.288 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.362 8.066 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.809 8.077 -7.267 1.00 0.00 H new ATOM 568 N PRO A 36 8.230 10.650 -5.619 1.00 0.00 N ATOM 569 CA PRO A 36 6.910 10.163 -5.131 1.00 0.00 C ATOM 570 C PRO A 36 6.443 8.961 -5.956 1.00 0.00 C ATOM 571 O PRO A 36 6.431 9.005 -7.170 1.00 0.00 O ATOM 572 CB PRO A 36 5.983 11.369 -5.333 1.00 0.00 C ATOM 573 CG PRO A 36 6.600 12.130 -6.456 1.00 0.00 C ATOM 574 CD PRO A 36 8.110 11.956 -6.292 1.00 0.00 C ATOM 0 HA PRO A 36 6.934 9.823 -4.096 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.969 11.053 -5.577 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.919 11.976 -4.430 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.264 11.747 -7.420 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.320 13.183 -6.416 1.00 0.00 H new ATOM 0 HD2 PRO A 36 8.622 11.961 -7.254 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.545 12.758 -5.695 1.00 0.00 H new ATOM 582 N GLN A 37 6.077 7.885 -5.309 1.00 0.00 N ATOM 583 CA GLN A 37 5.628 6.665 -6.050 1.00 0.00 C ATOM 584 C GLN A 37 4.267 6.218 -5.499 1.00 0.00 C ATOM 585 O GLN A 37 3.845 6.659 -4.449 1.00 0.00 O ATOM 586 CB GLN A 37 6.691 5.566 -5.850 1.00 0.00 C ATOM 587 CG GLN A 37 6.815 4.704 -7.112 1.00 0.00 C ATOM 588 CD GLN A 37 7.587 5.482 -8.183 1.00 0.00 C ATOM 589 OE1 GLN A 37 7.740 6.773 -8.051 1.00 0.00 O flip ATOM 590 NE2 GLN A 37 8.058 4.911 -9.146 1.00 0.00 N flip ATOM 0 H GLN A 37 6.069 7.797 -4.293 1.00 0.00 H new ATOM 0 HA GLN A 37 5.517 6.869 -7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.654 6.021 -5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.420 4.940 -5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.331 3.772 -6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.825 4.437 -7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.939 3.903 -9.250 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.572 5.439 -9.851 1.00 0.00 H new ATOM 599 N PHE A 38 3.568 5.362 -6.212 1.00 0.00 N ATOM 600 CA PHE A 38 2.218 4.903 -5.740 1.00 0.00 C ATOM 601 C PHE A 38 2.080 3.384 -5.882 1.00 0.00 C ATOM 602 O PHE A 38 2.736 2.759 -6.690 1.00 0.00 O ATOM 603 CB PHE A 38 1.139 5.589 -6.578 1.00 0.00 C ATOM 604 CG PHE A 38 1.106 7.064 -6.254 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.915 7.958 -6.966 1.00 0.00 C ATOM 606 CD2 PHE A 38 0.262 7.539 -5.242 1.00 0.00 C ATOM 607 CE1 PHE A 38 1.881 9.325 -6.667 1.00 0.00 C ATOM 608 CE2 PHE A 38 0.227 8.907 -4.943 1.00 0.00 C ATOM 609 CZ PHE A 38 1.036 9.800 -5.654 1.00 0.00 C ATOM 0 H PHE A 38 3.873 4.962 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 38 2.105 5.164 -4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.342 5.444 -7.639 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.167 5.140 -6.375 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.566 7.592 -7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.362 6.850 -4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.506 10.014 -7.217 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.425 9.273 -4.163 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.010 10.855 -5.423 1.00 0.00 H new ATOM 619 N VAL A 39 1.216 2.792 -5.088 1.00 0.00 N ATOM 620 CA VAL A 39 0.993 1.314 -5.138 1.00 0.00 C ATOM 621 C VAL A 39 -0.512 1.038 -5.263 1.00 0.00 C ATOM 622 O VAL A 39 -1.331 1.825 -4.835 1.00 0.00 O ATOM 623 CB VAL A 39 1.516 0.693 -3.839 1.00 0.00 C ATOM 624 CG1 VAL A 39 3.039 0.569 -3.900 1.00 0.00 C ATOM 625 CG2 VAL A 39 1.125 1.584 -2.655 1.00 0.00 C ATOM 0 H VAL A 39 0.648 3.282 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 39 1.516 0.884 -5.992 1.00 0.00 H new ATOM 0 HB VAL A 39 1.079 -0.298 -3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.405 0.127 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.319 -0.066 -4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.480 1.558 -4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.496 1.143 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.561 2.575 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.039 1.669 -2.606 1.00 0.00 H new ATOM 635 N TYR A 40 -0.881 -0.074 -5.850 1.00 0.00 N ATOM 636 CA TYR A 40 -2.333 -0.411 -6.019 1.00 0.00 C ATOM 637 C TYR A 40 -2.610 -1.817 -5.487 1.00 0.00 C ATOM 638 O TYR A 40 -1.755 -2.680 -5.505 1.00 0.00 O ATOM 639 CB TYR A 40 -2.675 -0.370 -7.508 1.00 0.00 C ATOM 640 CG TYR A 40 -2.637 1.056 -7.988 1.00 0.00 C ATOM 641 CD1 TYR A 40 -1.416 1.648 -8.336 1.00 0.00 C ATOM 642 CD2 TYR A 40 -3.823 1.789 -8.084 1.00 0.00 C ATOM 643 CE1 TYR A 40 -1.383 2.974 -8.781 1.00 0.00 C ATOM 644 CE2 TYR A 40 -3.794 3.113 -8.526 1.00 0.00 C ATOM 645 CZ TYR A 40 -2.573 3.709 -8.876 1.00 0.00 C ATOM 646 OH TYR A 40 -2.543 5.018 -9.315 1.00 0.00 O ATOM 0 H TYR A 40 -0.235 -0.769 -6.223 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.938 0.308 -5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.965 -0.975 -8.073 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.664 -0.797 -7.678 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.500 1.081 -8.261 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.763 1.331 -7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.442 3.431 -9.051 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.711 3.678 -8.598 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.453 5.381 -9.323 1.00 0.00 H new ATOM 656 N SER A 41 -3.806 -2.056 -5.018 1.00 0.00 N ATOM 657 CA SER A 41 -4.145 -3.411 -4.495 1.00 0.00 C ATOM 658 C SER A 41 -5.656 -3.506 -4.265 1.00 0.00 C ATOM 659 O SER A 41 -6.299 -2.540 -3.909 1.00 0.00 O ATOM 660 CB SER A 41 -3.407 -3.651 -3.177 1.00 0.00 C ATOM 661 OG SER A 41 -3.689 -4.962 -2.708 1.00 0.00 O ATOM 0 H SER A 41 -4.562 -1.372 -4.975 1.00 0.00 H new ATOM 0 HA SER A 41 -3.842 -4.167 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.334 -3.528 -3.321 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.716 -2.914 -2.436 1.00 0.00 H new ATOM 0 HG SER A 41 -2.884 -5.344 -2.301 1.00 0.00 H new ATOM 667 N TRP A 42 -6.226 -4.666 -4.467 1.00 0.00 N ATOM 668 CA TRP A 42 -7.696 -4.832 -4.264 1.00 0.00 C ATOM 669 C TRP A 42 -7.967 -5.202 -2.799 1.00 0.00 C ATOM 670 O TRP A 42 -9.091 -5.455 -2.415 1.00 0.00 O ATOM 671 CB TRP A 42 -8.208 -5.958 -5.177 1.00 0.00 C ATOM 672 CG TRP A 42 -8.423 -5.448 -6.566 1.00 0.00 C ATOM 673 CD1 TRP A 42 -7.615 -5.696 -7.619 1.00 0.00 C ATOM 674 CD2 TRP A 42 -9.513 -4.624 -7.069 1.00 0.00 C ATOM 675 NE1 TRP A 42 -8.139 -5.074 -8.736 1.00 0.00 N ATOM 676 CE2 TRP A 42 -9.308 -4.399 -8.449 1.00 0.00 C ATOM 677 CE3 TRP A 42 -10.649 -4.053 -6.466 1.00 0.00 C ATOM 678 CZ2 TRP A 42 -10.196 -3.635 -9.207 1.00 0.00 C ATOM 679 CZ3 TRP A 42 -11.546 -3.285 -7.224 1.00 0.00 C ATOM 680 CH2 TRP A 42 -11.320 -3.075 -8.593 1.00 0.00 C ATOM 0 H TRP A 42 -5.734 -5.509 -4.765 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.209 -3.901 -4.506 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.490 -6.778 -5.191 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.141 -6.359 -4.782 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.709 -6.283 -7.593 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.713 -5.109 -9.662 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.832 -4.207 -5.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.016 -3.477 -10.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.415 -2.853 -6.751 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -12.013 -2.482 -9.171 1.00 0.00 H new ATOM 691 N LYS A 43 -6.939 -5.239 -1.984 1.00 0.00 N ATOM 692 CA LYS A 43 -7.116 -5.599 -0.539 1.00 0.00 C ATOM 693 C LYS A 43 -6.457 -4.542 0.345 1.00 0.00 C ATOM 694 O LYS A 43 -5.394 -4.040 0.039 1.00 0.00 O ATOM 695 CB LYS A 43 -6.432 -6.940 -0.273 1.00 0.00 C ATOM 696 CG LYS A 43 -7.205 -8.053 -0.973 1.00 0.00 C ATOM 697 CD LYS A 43 -6.628 -9.421 -0.581 1.00 0.00 C ATOM 698 CE LYS A 43 -5.123 -9.482 -0.884 1.00 0.00 C ATOM 699 NZ LYS A 43 -4.823 -8.792 -2.174 1.00 0.00 N ATOM 0 H LYS A 43 -5.978 -5.034 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.181 -5.658 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.404 -6.914 -0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.388 -7.132 0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.259 -8.002 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.149 -7.922 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.798 -9.603 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.146 -10.210 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.563 -9.013 -0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.798 -10.521 -0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.995 -9.235 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.643 -8.871 -2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.622 -7.788 -1.992 1.00 0.00 H new ATOM 713 N LEU A 44 -7.065 -4.218 1.456 1.00 0.00 N ATOM 714 CA LEU A 44 -6.451 -3.216 2.374 1.00 0.00 C ATOM 715 C LEU A 44 -5.577 -3.960 3.369 1.00 0.00 C ATOM 716 O LEU A 44 -4.435 -3.621 3.569 1.00 0.00 O ATOM 717 CB LEU A 44 -7.541 -2.451 3.133 1.00 0.00 C ATOM 718 CG LEU A 44 -6.908 -1.533 4.199 1.00 0.00 C ATOM 719 CD1 LEU A 44 -5.822 -0.646 3.570 1.00 0.00 C ATOM 720 CD2 LEU A 44 -8.001 -0.647 4.807 1.00 0.00 C ATOM 0 H LEU A 44 -7.957 -4.603 1.766 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.861 -2.502 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.130 -1.856 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.224 -3.154 3.609 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.450 -2.149 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.387 -0.005 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.044 -1.275 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.264 -0.028 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.562 0.005 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.456 -0.041 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.763 -1.275 5.269 1.00 0.00 H new ATOM 732 N VAL A 45 -6.111 -4.989 3.984 1.00 0.00 N ATOM 733 CA VAL A 45 -5.324 -5.785 4.977 1.00 0.00 C ATOM 734 C VAL A 45 -5.080 -7.182 4.407 1.00 0.00 C ATOM 735 O VAL A 45 -5.584 -7.541 3.360 1.00 0.00 O ATOM 736 CB VAL A 45 -6.120 -5.910 6.287 1.00 0.00 C ATOM 737 CG1 VAL A 45 -5.196 -6.323 7.445 1.00 0.00 C ATOM 738 CG2 VAL A 45 -6.786 -4.569 6.611 1.00 0.00 C ATOM 0 H VAL A 45 -7.067 -5.313 3.838 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.375 -5.287 5.175 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.883 -6.678 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.778 -6.406 8.363 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.736 -7.285 7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.418 -5.571 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.350 -4.658 7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.021 -3.801 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.461 -4.293 5.801 1.00 0.00 H new ATOM 748 N ALA A 46 -4.312 -7.967 5.096 1.00 0.00 N ATOM 749 CA ALA A 46 -4.016 -9.349 4.611 1.00 0.00 C ATOM 750 C ALA A 46 -5.199 -10.286 4.890 1.00 0.00 C ATOM 751 O ALA A 46 -5.245 -11.397 4.394 1.00 0.00 O ATOM 752 CB ALA A 46 -2.758 -9.876 5.303 1.00 0.00 C ATOM 0 H ALA A 46 -3.870 -7.716 5.981 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.852 -9.315 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.543 -10.884 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.916 -9.223 5.073 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.917 -9.897 6.381 1.00 0.00 H new ATOM 758 N THR A 47 -6.152 -9.867 5.683 1.00 0.00 N ATOM 759 CA THR A 47 -7.312 -10.763 5.983 1.00 0.00 C ATOM 760 C THR A 47 -8.399 -10.592 4.917 1.00 0.00 C ATOM 761 O THR A 47 -9.301 -11.401 4.806 1.00 0.00 O ATOM 762 CB THR A 47 -7.894 -10.398 7.354 1.00 0.00 C ATOM 763 OG1 THR A 47 -8.409 -9.076 7.309 1.00 0.00 O ATOM 764 CG2 THR A 47 -6.803 -10.485 8.425 1.00 0.00 C ATOM 0 H THR A 47 -6.179 -8.952 6.133 1.00 0.00 H new ATOM 0 HA THR A 47 -6.970 -11.798 5.985 1.00 0.00 H new ATOM 0 HB THR A 47 -8.694 -11.096 7.602 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.783 -8.841 8.184 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.225 -10.224 9.396 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.409 -11.501 8.461 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.998 -9.792 8.181 1.00 0.00 H new ATOM 772 N ASP A 48 -8.322 -9.557 4.122 1.00 0.00 N ATOM 773 CA ASP A 48 -9.354 -9.354 3.061 1.00 0.00 C ATOM 774 C ASP A 48 -9.186 -10.416 1.969 1.00 0.00 C ATOM 775 O ASP A 48 -8.260 -11.203 1.988 1.00 0.00 O ATOM 776 CB ASP A 48 -9.198 -7.966 2.437 1.00 0.00 C ATOM 777 CG ASP A 48 -9.512 -6.890 3.476 1.00 0.00 C ATOM 778 OD1 ASP A 48 -10.150 -7.213 4.464 1.00 0.00 O ATOM 779 OD2 ASP A 48 -9.109 -5.758 3.264 1.00 0.00 O ATOM 0 H ASP A 48 -7.592 -8.846 4.161 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.343 -9.440 3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.182 -7.838 2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.867 -7.865 1.582 1.00 0.00 H new ATOM 784 N ARG A 49 -10.082 -10.438 1.015 1.00 0.00 N ATOM 785 CA ARG A 49 -9.997 -11.438 -0.096 1.00 0.00 C ATOM 786 C ARG A 49 -10.538 -10.775 -1.374 1.00 0.00 C ATOM 787 O ARG A 49 -11.543 -10.095 -1.342 1.00 0.00 O ATOM 788 CB ARG A 49 -10.851 -12.663 0.284 1.00 0.00 C ATOM 789 CG ARG A 49 -10.383 -13.927 -0.463 1.00 0.00 C ATOM 790 CD ARG A 49 -10.862 -13.915 -1.920 1.00 0.00 C ATOM 791 NE ARG A 49 -10.833 -15.311 -2.443 1.00 0.00 N ATOM 792 CZ ARG A 49 -11.409 -15.603 -3.578 1.00 0.00 C ATOM 793 NH1 ARG A 49 -11.962 -14.662 -4.294 1.00 0.00 N ATOM 794 NH2 ARG A 49 -11.416 -16.837 -4.004 1.00 0.00 N ATOM 0 H ARG A 49 -10.876 -9.801 0.957 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.970 -11.762 -0.264 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.791 -12.831 1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.897 -12.466 0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.295 -13.988 -0.435 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.765 -14.814 0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.871 -13.509 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.221 -13.272 -2.523 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.361 -16.042 -1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.945 -13.696 -3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.411 -14.893 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.972 -17.570 -3.451 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.865 -17.068 -4.890 1.00 0.00 H new ATOM 808 N VAL A 50 -9.877 -10.943 -2.494 1.00 0.00 N ATOM 809 CA VAL A 50 -10.369 -10.289 -3.743 1.00 0.00 C ATOM 810 C VAL A 50 -11.596 -11.042 -4.281 1.00 0.00 C ATOM 811 O VAL A 50 -11.695 -12.245 -4.140 1.00 0.00 O ATOM 812 CB VAL A 50 -9.275 -10.319 -4.814 1.00 0.00 C ATOM 813 CG1 VAL A 50 -8.005 -9.665 -4.292 1.00 0.00 C ATOM 814 CG2 VAL A 50 -8.981 -11.765 -5.220 1.00 0.00 C ATOM 0 H VAL A 50 -9.028 -11.499 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.636 -9.258 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.625 -9.764 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.237 -9.694 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.213 -8.629 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.654 -10.203 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.202 -11.778 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.645 -12.327 -4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.886 -12.222 -5.619 1.00 0.00 H new ATOM 824 N PRO A 51 -12.518 -10.348 -4.913 1.00 0.00 N ATOM 825 CA PRO A 51 -13.735 -10.989 -5.488 1.00 0.00 C ATOM 826 C PRO A 51 -13.396 -11.873 -6.694 1.00 0.00 C ATOM 827 O PRO A 51 -12.393 -11.690 -7.355 1.00 0.00 O ATOM 828 CB PRO A 51 -14.621 -9.803 -5.906 1.00 0.00 C ATOM 829 CG PRO A 51 -13.673 -8.666 -6.120 1.00 0.00 C ATOM 830 CD PRO A 51 -12.512 -8.890 -5.147 1.00 0.00 C ATOM 0 HA PRO A 51 -14.225 -11.652 -4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.178 -10.028 -6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.353 -9.566 -5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.319 -8.643 -7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.162 -7.710 -5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.565 -8.558 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.656 -8.336 -4.219 1.00 0.00 H new ATOM 838 N ALA A 52 -14.229 -12.831 -6.973 1.00 0.00 N ATOM 839 CA ALA A 52 -13.978 -13.740 -8.124 1.00 0.00 C ATOM 840 C ALA A 52 -13.625 -12.923 -9.377 1.00 0.00 C ATOM 841 O ALA A 52 -14.128 -11.837 -9.584 1.00 0.00 O ATOM 842 CB ALA A 52 -15.246 -14.573 -8.379 1.00 0.00 C ATOM 0 H ALA A 52 -15.082 -13.026 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.141 -14.399 -7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.077 -15.245 -9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.482 -15.158 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.079 -13.908 -8.607 1.00 0.00 H new ATOM 848 N GLY A 53 -12.780 -13.454 -10.225 1.00 0.00 N ATOM 849 CA GLY A 53 -12.408 -12.729 -11.481 1.00 0.00 C ATOM 850 C GLY A 53 -11.120 -11.927 -11.282 1.00 0.00 C ATOM 851 O GLY A 53 -10.352 -11.741 -12.205 1.00 0.00 O ATOM 0 H GLY A 53 -12.330 -14.361 -10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.275 -13.443 -12.293 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.217 -12.060 -11.774 1.00 0.00 H new ATOM 855 N LYS A 54 -10.873 -11.445 -10.094 1.00 0.00 N ATOM 856 CA LYS A 54 -9.637 -10.654 -9.850 1.00 0.00 C ATOM 857 C LYS A 54 -8.559 -11.575 -9.282 1.00 0.00 C ATOM 858 O LYS A 54 -8.828 -12.435 -8.466 1.00 0.00 O ATOM 859 CB LYS A 54 -9.959 -9.548 -8.853 1.00 0.00 C ATOM 860 CG LYS A 54 -11.209 -8.787 -9.311 1.00 0.00 C ATOM 861 CD LYS A 54 -11.013 -8.258 -10.737 1.00 0.00 C ATOM 862 CE LYS A 54 -12.035 -7.153 -11.018 1.00 0.00 C ATOM 863 NZ LYS A 54 -13.393 -7.621 -10.615 1.00 0.00 N ATOM 0 H LYS A 54 -11.477 -11.566 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.275 -10.214 -10.779 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.123 -9.974 -7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.115 -8.863 -8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.078 -9.445 -9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.408 -7.958 -8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.001 -7.871 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.131 -9.069 -11.456 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.771 -6.250 -10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.026 -6.895 -12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.114 -7.015 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.528 -8.604 -10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.484 -7.571 -9.580 1.00 0.00 H new ATOM 877 N ARG A 55 -7.341 -11.410 -9.714 1.00 0.00 N ATOM 878 CA ARG A 55 -6.249 -12.285 -9.209 1.00 0.00 C ATOM 879 C ARG A 55 -5.868 -11.859 -7.792 1.00 0.00 C ATOM 880 O ARG A 55 -6.007 -10.711 -7.417 1.00 0.00 O ATOM 881 CB ARG A 55 -5.033 -12.160 -10.130 1.00 0.00 C ATOM 882 CG ARG A 55 -4.029 -13.278 -9.816 1.00 0.00 C ATOM 883 CD ARG A 55 -2.720 -13.052 -10.599 1.00 0.00 C ATOM 884 NE ARG A 55 -2.222 -14.360 -11.135 1.00 0.00 N ATOM 885 CZ ARG A 55 -2.120 -15.412 -10.369 1.00 0.00 C ATOM 886 NH1 ARG A 55 -2.333 -15.322 -9.086 1.00 0.00 N ATOM 887 NH2 ARG A 55 -1.765 -16.556 -10.887 1.00 0.00 N ATOM 0 H ARG A 55 -7.055 -10.707 -10.395 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.587 -13.321 -9.194 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.346 -12.222 -11.172 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.562 -11.186 -9.996 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.822 -13.301 -8.746 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.457 -14.245 -10.079 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.890 -12.353 -11.418 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.968 -12.604 -9.949 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.958 -14.430 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.582 -14.424 -8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.251 -16.150 -8.496 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.569 -16.625 -11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.684 -17.381 -10.293 1.00 0.00 H new ATOM 901 N ASP A 56 -5.396 -12.780 -6.999 1.00 0.00 N ATOM 902 CA ASP A 56 -5.013 -12.443 -5.601 1.00 0.00 C ATOM 903 C ASP A 56 -3.840 -11.466 -5.619 1.00 0.00 C ATOM 904 O ASP A 56 -3.120 -11.361 -6.594 1.00 0.00 O ATOM 905 CB ASP A 56 -4.607 -13.717 -4.863 1.00 0.00 C ATOM 906 CG ASP A 56 -5.788 -14.692 -4.847 1.00 0.00 C ATOM 907 OD1 ASP A 56 -6.877 -14.278 -5.209 1.00 0.00 O ATOM 908 OD2 ASP A 56 -5.583 -15.836 -4.475 1.00 0.00 O ATOM 0 H ASP A 56 -5.259 -13.756 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.860 -11.984 -5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.748 -14.176 -5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.303 -13.479 -3.844 1.00 0.00 H new ATOM 913 N CYS A 57 -3.640 -10.747 -4.549 1.00 0.00 N ATOM 914 CA CYS A 57 -2.516 -9.775 -4.506 1.00 0.00 C ATOM 915 C CYS A 57 -2.133 -9.518 -3.044 1.00 0.00 C ATOM 916 O CYS A 57 -2.750 -10.021 -2.126 1.00 0.00 O ATOM 917 CB CYS A 57 -2.939 -8.466 -5.201 1.00 0.00 C ATOM 918 SG CYS A 57 -4.740 -8.302 -5.132 1.00 0.00 S ATOM 0 H CYS A 57 -4.208 -10.792 -3.703 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.650 -10.178 -5.032 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.466 -7.613 -4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.603 -8.467 -6.238 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.286 -9.169 -5.932 1.00 0.00 H new ATOM 924 N ILE A 58 -1.096 -8.763 -2.833 1.00 0.00 N ATOM 925 CA ILE A 58 -0.626 -8.483 -1.447 1.00 0.00 C ATOM 926 C ILE A 58 -1.328 -7.245 -0.877 1.00 0.00 C ATOM 927 O ILE A 58 -1.443 -6.230 -1.533 1.00 0.00 O ATOM 928 CB ILE A 58 0.882 -8.246 -1.504 1.00 0.00 C ATOM 929 CG1 ILE A 58 1.543 -9.444 -2.191 1.00 0.00 C ATOM 930 CG2 ILE A 58 1.441 -8.098 -0.087 1.00 0.00 C ATOM 931 CD1 ILE A 58 3.038 -9.178 -2.353 1.00 0.00 C ATOM 0 H ILE A 58 -0.545 -8.321 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.859 -9.327 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 58 1.088 -7.333 -2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.385 -10.347 -1.601 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.086 -9.616 -3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.517 -7.929 -0.136 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.963 -7.252 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.242 -9.008 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.508 -10.031 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.185 -8.285 -2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.489 -9.028 -1.372 1.00 0.00 H new ATOM 943 N SER A 59 -1.778 -7.314 0.350 1.00 0.00 N ATOM 944 CA SER A 59 -2.445 -6.131 0.964 1.00 0.00 C ATOM 945 C SER A 59 -1.446 -4.977 1.014 1.00 0.00 C ATOM 946 O SER A 59 -0.255 -5.169 0.862 1.00 0.00 O ATOM 947 CB SER A 59 -2.905 -6.466 2.380 1.00 0.00 C ATOM 948 OG SER A 59 -1.769 -6.609 3.223 1.00 0.00 O ATOM 0 H SER A 59 -1.712 -8.136 0.950 1.00 0.00 H new ATOM 0 HA SER A 59 -3.314 -5.851 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.556 -5.678 2.759 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.488 -7.387 2.377 1.00 0.00 H new ATOM 0 HG SER A 59 -2.062 -6.822 4.133 1.00 0.00 H new ATOM 954 N LEU A 60 -1.916 -3.782 1.209 1.00 0.00 N ATOM 955 CA LEU A 60 -0.991 -2.616 1.251 1.00 0.00 C ATOM 956 C LEU A 60 -0.091 -2.667 2.495 1.00 0.00 C ATOM 957 O LEU A 60 1.115 -2.556 2.393 1.00 0.00 O ATOM 958 CB LEU A 60 -1.819 -1.328 1.265 1.00 0.00 C ATOM 959 CG LEU A 60 -2.449 -1.090 -0.117 1.00 0.00 C ATOM 960 CD1 LEU A 60 -3.449 0.071 -0.022 1.00 0.00 C ATOM 961 CD2 LEU A 60 -1.358 -0.757 -1.159 1.00 0.00 C ATOM 0 H LEU A 60 -2.902 -3.559 1.342 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.349 -2.644 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.600 -1.397 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.186 -0.483 1.535 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.964 -1.996 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.899 0.244 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.229 -0.178 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.930 0.973 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.822 -0.592 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.825 0.144 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.656 -1.588 -1.229 1.00 0.00 H new ATOM 973 N ARG A 61 -0.660 -2.819 3.663 1.00 0.00 N ATOM 974 CA ARG A 61 0.174 -2.849 4.910 1.00 0.00 C ATOM 975 C ARG A 61 1.407 -3.729 4.694 1.00 0.00 C ATOM 976 O ARG A 61 2.512 -3.366 5.049 1.00 0.00 O ATOM 977 CB ARG A 61 -0.650 -3.428 6.072 1.00 0.00 C ATOM 978 CG ARG A 61 -1.599 -2.369 6.649 1.00 0.00 C ATOM 979 CD ARG A 61 -2.691 -2.043 5.636 1.00 0.00 C ATOM 980 NE ARG A 61 -3.723 -1.144 6.253 1.00 0.00 N ATOM 981 CZ ARG A 61 -4.389 -1.483 7.326 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.305 -2.689 7.812 1.00 0.00 N ATOM 983 NH2 ARG A 61 -5.191 -0.618 7.885 1.00 0.00 N ATOM 0 H ARG A 61 -1.664 -2.924 3.811 1.00 0.00 H new ATOM 0 HA ARG A 61 0.486 -1.832 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.225 -4.286 5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.019 -3.788 6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.046 -2.734 7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.042 -1.466 6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.253 -1.560 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.161 -2.963 5.289 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.911 -0.239 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.714 -3.383 7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.830 -2.939 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.295 0.314 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.714 -0.874 8.722 1.00 0.00 H new ATOM 997 N GLU A 62 1.230 -4.882 4.118 1.00 0.00 N ATOM 998 CA GLU A 62 2.393 -5.779 3.887 1.00 0.00 C ATOM 999 C GLU A 62 3.316 -5.165 2.828 1.00 0.00 C ATOM 1000 O GLU A 62 4.525 -5.210 2.951 1.00 0.00 O ATOM 1001 CB GLU A 62 1.885 -7.154 3.424 1.00 0.00 C ATOM 1002 CG GLU A 62 1.424 -7.976 4.637 1.00 0.00 C ATOM 1003 CD GLU A 62 2.642 -8.588 5.334 1.00 0.00 C ATOM 1004 OE1 GLU A 62 3.494 -9.117 4.639 1.00 0.00 O ATOM 1005 OE2 GLU A 62 2.703 -8.520 6.552 1.00 0.00 O ATOM 0 H GLU A 62 0.331 -5.242 3.797 1.00 0.00 H new ATOM 0 HA GLU A 62 2.957 -5.900 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.060 -7.029 2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.676 -7.684 2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.875 -7.341 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.741 -8.763 4.318 1.00 0.00 H new ATOM 1012 N LYS A 63 2.767 -4.589 1.794 1.00 0.00 N ATOM 1013 CA LYS A 63 3.628 -3.976 0.739 1.00 0.00 C ATOM 1014 C LYS A 63 4.385 -2.761 1.300 1.00 0.00 C ATOM 1015 O LYS A 63 5.560 -2.581 1.044 1.00 0.00 O ATOM 1016 CB LYS A 63 2.753 -3.519 -0.434 1.00 0.00 C ATOM 1017 CG LYS A 63 2.255 -4.735 -1.227 1.00 0.00 C ATOM 1018 CD LYS A 63 1.480 -4.271 -2.493 1.00 0.00 C ATOM 1019 CE LYS A 63 2.363 -4.419 -3.741 1.00 0.00 C ATOM 1020 NZ LYS A 63 1.613 -3.952 -4.943 1.00 0.00 N ATOM 0 H LYS A 63 1.763 -4.516 1.633 1.00 0.00 H new ATOM 0 HA LYS A 63 4.348 -4.722 0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.904 -2.945 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.323 -2.858 -1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.100 -5.359 -1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.607 -5.347 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.572 -4.863 -2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.171 -3.232 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.278 -3.838 -3.622 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.660 -5.460 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.212 -4.053 -5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.752 -4.524 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.351 -2.953 -4.822 1.00 0.00 H new ATOM 1034 N ILE A 64 3.722 -1.914 2.045 1.00 0.00 N ATOM 1035 CA ILE A 64 4.402 -0.700 2.597 1.00 0.00 C ATOM 1036 C ILE A 64 5.640 -1.105 3.407 1.00 0.00 C ATOM 1037 O ILE A 64 6.738 -0.662 3.131 1.00 0.00 O ATOM 1038 CB ILE A 64 3.396 0.083 3.486 1.00 0.00 C ATOM 1039 CG1 ILE A 64 2.534 1.025 2.622 1.00 0.00 C ATOM 1040 CG2 ILE A 64 4.125 0.913 4.554 1.00 0.00 C ATOM 1041 CD1 ILE A 64 1.477 0.221 1.876 1.00 0.00 C ATOM 0 H ILE A 64 2.738 -2.009 2.296 1.00 0.00 H new ATOM 0 HA ILE A 64 4.732 -0.060 1.778 1.00 0.00 H new ATOM 0 HB ILE A 64 2.759 -0.650 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.056 1.775 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.164 1.560 1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.394 1.449 5.160 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.710 0.251 5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.789 1.629 4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.871 0.893 1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.964 -0.512 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.838 -0.294 2.593 1.00 0.00 H new ATOM 1053 N ALA A 65 5.484 -1.927 4.400 1.00 0.00 N ATOM 1054 CA ALA A 65 6.668 -2.328 5.207 1.00 0.00 C ATOM 1055 C ALA A 65 7.696 -2.992 4.291 1.00 0.00 C ATOM 1056 O ALA A 65 8.889 -2.891 4.500 1.00 0.00 O ATOM 1057 CB ALA A 65 6.231 -3.315 6.296 1.00 0.00 C ATOM 0 H ALA A 65 4.596 -2.338 4.689 1.00 0.00 H new ATOM 0 HA ALA A 65 7.112 -1.450 5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.097 -3.610 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.494 -2.840 6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.791 -4.198 5.832 1.00 0.00 H new ATOM 1063 N GLU A 66 7.236 -3.683 3.285 1.00 0.00 N ATOM 1064 CA GLU A 66 8.171 -4.374 2.357 1.00 0.00 C ATOM 1065 C GLU A 66 8.811 -3.371 1.390 1.00 0.00 C ATOM 1066 O GLU A 66 10.018 -3.304 1.266 1.00 0.00 O ATOM 1067 CB GLU A 66 7.393 -5.423 1.557 1.00 0.00 C ATOM 1068 CG GLU A 66 8.366 -6.358 0.835 1.00 0.00 C ATOM 1069 CD GLU A 66 9.121 -7.207 1.860 1.00 0.00 C ATOM 1070 OE1 GLU A 66 8.490 -8.036 2.494 1.00 0.00 O ATOM 1071 OE2 GLU A 66 10.318 -7.010 1.997 1.00 0.00 O ATOM 0 H GLU A 66 6.247 -3.799 3.066 1.00 0.00 H new ATOM 0 HA GLU A 66 8.961 -4.850 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.750 -5.998 2.224 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.743 -4.932 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.822 -7.002 0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.071 -5.777 0.240 1.00 0.00 H new ATOM 1078 N LEU A 67 8.017 -2.597 0.692 1.00 0.00 N ATOM 1079 CA LEU A 67 8.601 -1.620 -0.275 1.00 0.00 C ATOM 1080 C LEU A 67 9.325 -0.506 0.476 1.00 0.00 C ATOM 1081 O LEU A 67 10.373 -0.045 0.072 1.00 0.00 O ATOM 1082 CB LEU A 67 7.485 -0.979 -1.117 1.00 0.00 C ATOM 1083 CG LEU A 67 7.020 -1.920 -2.237 1.00 0.00 C ATOM 1084 CD1 LEU A 67 5.658 -1.440 -2.737 1.00 0.00 C ATOM 1085 CD2 LEU A 67 8.007 -1.881 -3.415 1.00 0.00 C ATOM 0 H LEU A 67 6.999 -2.600 0.750 1.00 0.00 H new ATOM 0 HA LEU A 67 9.299 -2.155 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.640 -0.729 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.844 -0.045 -1.550 1.00 0.00 H new ATOM 0 HG LEU A 67 6.963 -2.937 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.311 -2.097 -3.534 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.942 -1.457 -1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.748 -0.423 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.663 -2.554 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.066 -0.866 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.993 -2.196 -3.074 1.00 0.00 H new ATOM 1097 N GLN A 68 8.751 -0.042 1.541 1.00 0.00 N ATOM 1098 CA GLN A 68 9.379 1.074 2.285 1.00 0.00 C ATOM 1099 C GLN A 68 10.662 0.607 2.978 1.00 0.00 C ATOM 1100 O GLN A 68 11.641 1.323 3.022 1.00 0.00 O ATOM 1101 CB GLN A 68 8.385 1.594 3.332 1.00 0.00 C ATOM 1102 CG GLN A 68 8.816 2.988 3.807 1.00 0.00 C ATOM 1103 CD GLN A 68 8.244 3.275 5.196 1.00 0.00 C ATOM 1104 OE1 GLN A 68 8.982 3.432 6.148 1.00 0.00 O ATOM 1105 NE2 GLN A 68 6.953 3.351 5.352 1.00 0.00 N ATOM 0 H GLN A 68 7.873 -0.387 1.930 1.00 0.00 H new ATOM 0 HA GLN A 68 9.637 1.869 1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.383 1.638 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.341 0.908 4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.904 3.050 3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 68 8.471 3.743 3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.334 3.219 4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.561 3.542 6.274 1.00 0.00 H new