USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 914 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 6 SER OG : rot 38:sc= 0.151 USER MOD Single : A 7 THR OG1 : rot -71:sc= 1.21 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 81:sc= 0.147 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.226 F(o=-1.4!,f=-0.23) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -171:sc=-0.00743 (180deg=-0.126) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc=-0.000404 (180deg=-0.0799) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 88:sc= 1.27 USER MOD Single : A 43 THR OG1 : rot -86:sc= 0.00235 USER MOD Single : A 44 MET CE :methyl 164:sc= 0 (180deg=-0.229) USER MOD Single : A 46 TYR OH : rot -30:sc= -1.96 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -170:sc= -0.236 (180deg=-0.393) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.72 K(o=0.72,f=-1.4) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.391 F(o=-1.3,f=0.39) USER MOD Single : A 71 GLN :FLIP amide:sc= 0.786 F(o=-0.18,f=0.79) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 75:sc= 1.16 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.8) USER MOD Single : A 93 THR OG1 : rot 180:sc=0.000461 USER MOD Single : A 95 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.057) USER MOD Single : A 96 ASN : amide:sc= 0.646 K(o=0.65,f=-9!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -149:sc= 1.24 (180deg=1.04) USER MOD Single : A 109 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.6!) USER MOD Single : A 110 LYS NZ :NH3+ -162:sc= -0.0493 (180deg=-0.402) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.13 X(o=0.13,f=-0.34) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -40:sc= 1.03 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.526 9.730 -4.370 1.00 0.00 N ATOM 86 CA SER A 6 5.216 10.279 -4.069 1.00 0.00 C ATOM 87 C SER A 6 5.175 10.798 -2.635 1.00 0.00 C ATOM 88 O SER A 6 5.137 10.016 -1.688 1.00 0.00 O ATOM 89 CB SER A 6 4.140 9.213 -4.285 1.00 0.00 C ATOM 90 OG SER A 6 4.240 8.643 -5.583 1.00 0.00 O ATOM 0 HA SER A 6 5.020 11.114 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.241 8.431 -3.532 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.153 9.656 -4.154 1.00 0.00 H new ATOM 0 HG SER A 6 5.184 8.554 -5.829 1.00 0.00 H new ATOM 96 N THR A 7 5.202 12.115 -2.479 1.00 0.00 N ATOM 97 CA THR A 7 5.184 12.721 -1.157 1.00 0.00 C ATOM 98 C THR A 7 3.762 12.796 -0.613 1.00 0.00 C ATOM 99 O THR A 7 2.815 12.367 -1.276 1.00 0.00 O ATOM 100 CB THR A 7 5.800 14.134 -1.173 1.00 0.00 C ATOM 101 OG1 THR A 7 5.043 15.002 -2.031 1.00 0.00 O ATOM 102 CG2 THR A 7 7.246 14.087 -1.641 1.00 0.00 C ATOM 0 H THR A 7 5.236 12.782 -3.250 1.00 0.00 H new ATOM 0 HA THR A 7 5.786 12.086 -0.507 1.00 0.00 H new ATOM 0 HB THR A 7 5.772 14.524 -0.156 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.183 14.742 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.660 15.095 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.827 13.458 -0.966 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.289 13.674 -2.649 1.00 0.00 H new ATOM 110 N THR A 8 3.612 13.342 0.586 1.00 0.00 N ATOM 111 CA THR A 8 2.304 13.485 1.205 1.00 0.00 C ATOM 112 C THR A 8 1.370 14.316 0.323 1.00 0.00 C ATOM 113 O THR A 8 0.197 13.977 0.146 1.00 0.00 O ATOM 114 CB THR A 8 2.429 14.134 2.595 1.00 0.00 C ATOM 115 OG1 THR A 8 3.404 13.428 3.377 1.00 0.00 O ATOM 116 CG2 THR A 8 1.096 14.121 3.320 1.00 0.00 C ATOM 0 H THR A 8 4.385 13.694 1.151 1.00 0.00 H new ATOM 0 HA THR A 8 1.878 12.488 1.319 1.00 0.00 H new ATOM 0 HB THR A 8 2.744 15.169 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.481 13.846 4.260 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.210 14.585 4.300 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.360 14.677 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.759 13.092 3.443 1.00 0.00 H new ATOM 124 N GLU A 9 1.911 15.385 -0.254 1.00 0.00 N ATOM 125 CA GLU A 9 1.138 16.266 -1.116 1.00 0.00 C ATOM 126 C GLU A 9 0.628 15.520 -2.346 1.00 0.00 C ATOM 127 O GLU A 9 -0.539 15.648 -2.718 1.00 0.00 O ATOM 128 CB GLU A 9 1.980 17.466 -1.541 1.00 0.00 C ATOM 129 CG GLU A 9 2.479 18.297 -0.374 1.00 0.00 C ATOM 130 CD GLU A 9 3.283 19.501 -0.818 1.00 0.00 C ATOM 131 OE1 GLU A 9 2.710 20.610 -0.880 1.00 0.00 O ATOM 132 OE2 GLU A 9 4.487 19.345 -1.111 1.00 0.00 O ATOM 0 H GLU A 9 2.886 15.661 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 9 0.276 16.620 -0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.835 17.114 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.388 18.100 -2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.628 18.632 0.219 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.094 17.673 0.275 1.00 0.00 H new ATOM 139 N ASP A 10 1.502 14.726 -2.960 1.00 0.00 N ATOM 140 CA ASP A 10 1.124 13.935 -4.129 1.00 0.00 C ATOM 141 C ASP A 10 0.084 12.899 -3.740 1.00 0.00 C ATOM 142 O ASP A 10 -0.880 12.661 -4.470 1.00 0.00 O ATOM 143 CB ASP A 10 2.330 13.207 -4.738 1.00 0.00 C ATOM 144 CG ASP A 10 3.492 14.119 -5.066 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.402 14.878 -6.053 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.514 14.060 -4.350 1.00 0.00 O ATOM 0 H ASP A 10 2.473 14.613 -2.669 1.00 0.00 H new ATOM 0 HA ASP A 10 0.720 14.626 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.668 12.439 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.013 12.696 -5.647 1.00 0.00 H new ATOM 151 N LEU A 11 0.284 12.299 -2.572 1.00 0.00 N ATOM 152 CA LEU A 11 -0.562 11.212 -2.111 1.00 0.00 C ATOM 153 C LEU A 11 -2.020 11.641 -2.015 1.00 0.00 C ATOM 154 O LEU A 11 -2.907 10.922 -2.468 1.00 0.00 O ATOM 155 CB LEU A 11 -0.069 10.665 -0.767 1.00 0.00 C ATOM 156 CG LEU A 11 -0.920 9.536 -0.193 1.00 0.00 C ATOM 157 CD1 LEU A 11 -0.898 8.339 -1.123 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.432 9.144 1.192 1.00 0.00 C ATOM 0 H LEU A 11 1.031 12.552 -1.925 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.499 10.413 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.953 10.307 -0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.038 11.482 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.947 9.890 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.509 7.540 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.297 8.627 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.127 7.988 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.053 8.338 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.603 8.808 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.496 10.005 1.857 1.00 0.00 H new ATOM 170 N GLN A 12 -2.263 12.832 -1.475 1.00 0.00 N ATOM 171 CA GLN A 12 -3.629 13.299 -1.254 1.00 0.00 C ATOM 172 C GLN A 12 -4.384 13.424 -2.575 1.00 0.00 C ATOM 173 O GLN A 12 -5.597 13.220 -2.631 1.00 0.00 O ATOM 174 CB GLN A 12 -3.644 14.646 -0.523 1.00 0.00 C ATOM 175 CG GLN A 12 -3.080 14.605 0.891 1.00 0.00 C ATOM 176 CD GLN A 12 -3.347 15.885 1.659 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.451 16.968 1.076 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.458 15.774 2.973 1.00 0.00 N ATOM 0 H GLN A 12 -1.538 13.488 -1.184 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.128 12.558 -0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -3.073 15.368 -1.107 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.670 15.010 -0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.517 13.764 1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.005 14.430 0.845 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.366 14.860 3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.636 16.602 3.542 1.00 0.00 H new ATOM 187 N ARG A 13 -3.655 13.738 -3.639 1.00 0.00 N ATOM 188 CA ARG A 13 -4.254 13.880 -4.957 1.00 0.00 C ATOM 189 C ARG A 13 -4.687 12.517 -5.493 1.00 0.00 C ATOM 190 O ARG A 13 -5.768 12.382 -6.069 1.00 0.00 O ATOM 191 CB ARG A 13 -3.269 14.549 -5.921 1.00 0.00 C ATOM 192 CG ARG A 13 -3.829 14.782 -7.321 1.00 0.00 C ATOM 193 CD ARG A 13 -5.088 15.637 -7.294 1.00 0.00 C ATOM 194 NE ARG A 13 -4.869 16.925 -6.638 1.00 0.00 N ATOM 195 CZ ARG A 13 -5.829 17.637 -6.045 1.00 0.00 C ATOM 196 NH1 ARG A 13 -7.086 17.210 -6.061 1.00 0.00 N ATOM 197 NH2 ARG A 13 -5.531 18.785 -5.447 1.00 0.00 N ATOM 0 H ARG A 13 -2.648 13.899 -3.613 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.137 14.514 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.960 15.506 -5.501 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.375 13.930 -5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.073 15.268 -7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.052 13.822 -7.787 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.432 15.805 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.880 15.097 -6.775 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.922 17.303 -6.633 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.321 16.334 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.817 17.758 -5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.568 19.122 -5.441 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.265 19.329 -4.994 1.00 0.00 H new ATOM 211 N TYR A 14 -3.854 11.502 -5.272 1.00 0.00 N ATOM 212 CA TYR A 14 -4.147 10.158 -5.758 1.00 0.00 C ATOM 213 C TYR A 14 -5.345 9.563 -5.033 1.00 0.00 C ATOM 214 O TYR A 14 -6.161 8.870 -5.638 1.00 0.00 O ATOM 215 CB TYR A 14 -2.942 9.232 -5.593 1.00 0.00 C ATOM 216 CG TYR A 14 -1.706 9.694 -6.336 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.783 10.120 -7.658 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.460 9.694 -5.724 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.657 10.537 -8.340 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.669 10.110 -6.399 1.00 0.00 C ATOM 221 CZ TYR A 14 0.565 10.531 -7.706 1.00 0.00 C ATOM 222 OH TYR A 14 1.692 10.944 -8.379 1.00 0.00 O ATOM 0 H TYR A 14 -2.975 11.585 -4.762 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.380 10.245 -6.819 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.705 9.146 -4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.212 8.235 -5.942 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.740 10.125 -8.159 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.373 9.362 -4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.735 10.866 -9.366 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.629 10.106 -5.905 1.00 0.00 H new ATOM 0 HH TYR A 14 2.470 10.878 -7.786 1.00 0.00 H new ATOM 232 N ARG A 15 -5.458 9.842 -3.739 1.00 0.00 N ATOM 233 CA ARG A 15 -6.554 9.303 -2.946 1.00 0.00 C ATOM 234 C ARG A 15 -7.880 9.864 -3.437 1.00 0.00 C ATOM 235 O ARG A 15 -8.866 9.141 -3.533 1.00 0.00 O ATOM 236 CB ARG A 15 -6.365 9.595 -1.454 1.00 0.00 C ATOM 237 CG ARG A 15 -4.929 9.452 -0.987 1.00 0.00 C ATOM 238 CD ARG A 15 -4.831 9.300 0.522 1.00 0.00 C ATOM 239 NE ARG A 15 -5.400 10.428 1.254 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.575 10.423 2.575 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.316 9.325 3.280 1.00 0.00 N ATOM 242 NH2 ARG A 15 -6.034 11.507 3.185 1.00 0.00 N ATOM 0 H ARG A 15 -4.809 10.434 -3.221 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.559 8.220 -3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.708 10.608 -1.244 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.996 8.919 -0.877 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.476 8.585 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.357 10.325 -1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.343 8.386 0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.784 9.185 0.801 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.676 11.258 0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.982 8.484 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.451 9.324 4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.253 12.343 2.643 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.169 11.505 4.196 1.00 0.00 H new ATOM 256 N THR A 16 -7.882 11.140 -3.791 1.00 0.00 N ATOM 257 CA THR A 16 -9.065 11.787 -4.324 1.00 0.00 C ATOM 258 C THR A 16 -9.426 11.200 -5.688 1.00 0.00 C ATOM 259 O THR A 16 -10.588 10.876 -5.956 1.00 0.00 O ATOM 260 CB THR A 16 -8.825 13.303 -4.442 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.643 13.866 -3.135 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.974 13.994 -5.150 1.00 0.00 C ATOM 0 H THR A 16 -7.068 11.750 -3.717 1.00 0.00 H new ATOM 0 HA THR A 16 -9.898 11.612 -3.643 1.00 0.00 H new ATOM 0 HB THR A 16 -7.925 13.459 -5.037 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.720 13.717 -2.840 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.771 15.063 -5.216 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.083 13.583 -6.154 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.896 13.833 -4.590 1.00 0.00 H new ATOM 270 N GLU A 17 -8.412 11.050 -6.533 1.00 0.00 N ATOM 271 CA GLU A 17 -8.571 10.444 -7.854 1.00 0.00 C ATOM 272 C GLU A 17 -9.209 9.056 -7.762 1.00 0.00 C ATOM 273 O GLU A 17 -10.058 8.694 -8.576 1.00 0.00 O ATOM 274 CB GLU A 17 -7.211 10.351 -8.549 1.00 0.00 C ATOM 275 CG GLU A 17 -6.932 11.476 -9.532 1.00 0.00 C ATOM 276 CD GLU A 17 -7.917 11.498 -10.682 1.00 0.00 C ATOM 277 OE1 GLU A 17 -8.727 12.444 -10.759 1.00 0.00 O ATOM 278 OE2 GLU A 17 -7.887 10.568 -11.511 1.00 0.00 O ATOM 0 H GLU A 17 -7.458 11.344 -6.324 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.237 11.079 -8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.428 10.345 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.150 9.399 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.970 12.431 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.921 11.368 -9.925 1.00 0.00 H new ATOM 285 N CYS A 18 -8.796 8.287 -6.765 1.00 0.00 N ATOM 286 CA CYS A 18 -9.319 6.942 -6.571 1.00 0.00 C ATOM 287 C CYS A 18 -10.696 6.965 -5.927 1.00 0.00 C ATOM 288 O CYS A 18 -11.533 6.104 -6.203 1.00 0.00 O ATOM 289 CB CYS A 18 -8.354 6.110 -5.735 1.00 0.00 C ATOM 290 SG CYS A 18 -6.794 5.758 -6.597 1.00 0.00 S ATOM 0 H CYS A 18 -8.099 8.572 -6.077 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.421 6.482 -7.554 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.139 6.637 -4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.834 5.170 -5.464 1.00 0.00 H new ATOM 295 N VAL A 19 -10.937 7.962 -5.090 1.00 0.00 N ATOM 296 CA VAL A 19 -12.216 8.099 -4.417 1.00 0.00 C ATOM 297 C VAL A 19 -13.332 8.307 -5.430 1.00 0.00 C ATOM 298 O VAL A 19 -14.328 7.581 -5.433 1.00 0.00 O ATOM 299 CB VAL A 19 -12.197 9.250 -3.385 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.597 9.774 -3.119 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.559 8.773 -2.090 1.00 0.00 C ATOM 0 H VAL A 19 -10.260 8.690 -4.861 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.404 7.173 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.606 10.068 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.550 10.582 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.028 10.148 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.219 8.968 -2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.549 9.589 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.133 7.939 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.537 8.449 -2.286 1.00 0.00 H new ATOM 311 N SER A 20 -13.140 9.278 -6.305 1.00 0.00 N ATOM 312 CA SER A 20 -14.124 9.599 -7.322 1.00 0.00 C ATOM 313 C SER A 20 -14.271 8.459 -8.340 1.00 0.00 C ATOM 314 O SER A 20 -15.360 8.227 -8.867 1.00 0.00 O ATOM 315 CB SER A 20 -13.720 10.899 -8.019 1.00 0.00 C ATOM 316 OG SER A 20 -14.687 11.305 -8.972 1.00 0.00 O ATOM 0 H SER A 20 -12.304 9.862 -6.331 1.00 0.00 H new ATOM 0 HA SER A 20 -15.094 9.729 -6.843 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.589 11.685 -7.275 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.757 10.764 -8.512 1.00 0.00 H new ATOM 0 HG SER A 20 -14.397 12.139 -9.397 1.00 0.00 H new ATOM 322 N SER A 21 -13.184 7.736 -8.596 1.00 0.00 N ATOM 323 CA SER A 21 -13.190 6.680 -9.600 1.00 0.00 C ATOM 324 C SER A 21 -13.921 5.441 -9.086 1.00 0.00 C ATOM 325 O SER A 21 -14.795 4.901 -9.763 1.00 0.00 O ATOM 326 CB SER A 21 -11.752 6.321 -9.986 1.00 0.00 C ATOM 327 OG SER A 21 -11.714 5.447 -11.100 1.00 0.00 O ATOM 0 H SER A 21 -12.290 7.863 -8.122 1.00 0.00 H new ATOM 0 HA SER A 21 -13.719 7.045 -10.480 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.199 7.231 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.253 5.852 -9.138 1.00 0.00 H new ATOM 0 HG SER A 21 -10.782 5.239 -11.321 1.00 0.00 H new ATOM 333 N LEU A 22 -13.580 5.009 -7.878 1.00 0.00 N ATOM 334 CA LEU A 22 -14.143 3.786 -7.319 1.00 0.00 C ATOM 335 C LEU A 22 -15.436 4.053 -6.553 1.00 0.00 C ATOM 336 O LEU A 22 -15.946 3.174 -5.857 1.00 0.00 O ATOM 337 CB LEU A 22 -13.111 3.124 -6.411 1.00 0.00 C ATOM 338 CG LEU A 22 -11.905 2.561 -7.150 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.805 2.206 -6.173 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.309 1.340 -7.955 1.00 0.00 C ATOM 0 H LEU A 22 -12.917 5.487 -7.267 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.392 3.117 -8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.767 3.853 -5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.593 2.318 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.528 3.322 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.950 1.805 -6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.501 3.099 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.171 1.458 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.439 0.946 -8.479 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.705 0.577 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.074 1.619 -8.680 1.00 0.00 H new ATOM 352 N ASN A 23 -15.953 5.274 -6.696 1.00 0.00 N ATOM 353 CA ASN A 23 -17.198 5.694 -6.045 1.00 0.00 C ATOM 354 C ASN A 23 -17.136 5.469 -4.531 1.00 0.00 C ATOM 355 O ASN A 23 -18.112 5.042 -3.907 1.00 0.00 O ATOM 356 CB ASN A 23 -18.392 4.949 -6.647 1.00 0.00 C ATOM 357 CG ASN A 23 -19.727 5.558 -6.262 1.00 0.00 C ATOM 358 OD1 ASN A 23 -19.777 6.877 -6.164 1.00 0.00 O flip ATOM 359 ND2 ASN A 23 -20.717 4.847 -6.081 1.00 0.00 N flip ATOM 0 H ASN A 23 -15.521 6.001 -7.266 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.325 6.762 -6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.301 4.945 -7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -18.366 3.909 -6.321 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -20.639 3.833 -6.165 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -21.614 5.272 -5.847 1.00 0.00 H new ATOM 366 N ILE A 24 -15.978 5.756 -3.950 1.00 0.00 N ATOM 367 CA ILE A 24 -15.765 5.582 -2.523 1.00 0.00 C ATOM 368 C ILE A 24 -16.629 6.556 -1.726 1.00 0.00 C ATOM 369 O ILE A 24 -16.545 7.772 -1.916 1.00 0.00 O ATOM 370 CB ILE A 24 -14.283 5.804 -2.152 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.361 4.952 -3.042 1.00 0.00 C ATOM 372 CG2 ILE A 24 -14.051 5.483 -0.679 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.549 3.456 -2.887 1.00 0.00 C ATOM 0 H ILE A 24 -15.166 6.114 -4.453 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.046 4.559 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.042 6.853 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.532 5.221 -4.084 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.325 5.201 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.002 5.644 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.673 6.133 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.313 4.442 -0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.860 2.932 -3.550 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.348 3.169 -1.855 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.574 3.189 -3.145 1.00 0.00 H new ATOM 385 N PRO A 25 -17.483 6.030 -0.835 1.00 0.00 N ATOM 386 CA PRO A 25 -18.319 6.850 0.042 1.00 0.00 C ATOM 387 C PRO A 25 -17.472 7.695 0.979 1.00 0.00 C ATOM 388 O PRO A 25 -16.423 7.255 1.464 1.00 0.00 O ATOM 389 CB PRO A 25 -19.137 5.832 0.842 1.00 0.00 C ATOM 390 CG PRO A 25 -19.007 4.544 0.113 1.00 0.00 C ATOM 391 CD PRO A 25 -17.691 4.594 -0.607 1.00 0.00 C ATOM 0 HA PRO A 25 -18.939 7.548 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.762 5.744 1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.181 6.138 0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -19.039 3.702 0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.829 4.411 -0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.889 4.162 -0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.724 4.039 -1.544 1.00 0.00 H new ATOM 399 N ALA A 26 -17.946 8.913 1.226 1.00 0.00 N ATOM 400 CA ALA A 26 -17.246 9.880 2.063 1.00 0.00 C ATOM 401 C ALA A 26 -16.941 9.300 3.437 1.00 0.00 C ATOM 402 O ALA A 26 -15.928 9.637 4.042 1.00 0.00 O ATOM 403 CB ALA A 26 -18.079 11.141 2.201 1.00 0.00 C ATOM 0 H ALA A 26 -18.829 9.257 0.850 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.298 10.124 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.550 11.859 2.828 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.249 11.575 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -19.037 10.896 2.659 1.00 0.00 H new ATOM 409 N ASP A 27 -17.833 8.432 3.914 1.00 0.00 N ATOM 410 CA ASP A 27 -17.646 7.735 5.188 1.00 0.00 C ATOM 411 C ASP A 27 -16.262 7.097 5.268 1.00 0.00 C ATOM 412 O ASP A 27 -15.503 7.350 6.207 1.00 0.00 O ATOM 413 CB ASP A 27 -18.709 6.645 5.377 1.00 0.00 C ATOM 414 CG ASP A 27 -20.100 7.197 5.620 1.00 0.00 C ATOM 415 OD1 ASP A 27 -20.426 7.510 6.788 1.00 0.00 O ATOM 416 OD2 ASP A 27 -20.882 7.301 4.650 1.00 0.00 O ATOM 0 H ASP A 27 -18.700 8.193 3.433 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.744 8.478 5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.728 6.009 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.425 6.013 6.218 1.00 0.00 H new ATOM 421 N TYR A 28 -15.941 6.266 4.280 1.00 0.00 N ATOM 422 CA TYR A 28 -14.646 5.605 4.223 1.00 0.00 C ATOM 423 C TYR A 28 -13.505 6.610 4.081 1.00 0.00 C ATOM 424 O TYR A 28 -12.438 6.426 4.662 1.00 0.00 O ATOM 425 CB TYR A 28 -14.617 4.604 3.067 1.00 0.00 C ATOM 426 CG TYR A 28 -15.304 3.296 3.397 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.577 2.201 3.850 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.680 3.161 3.265 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.203 1.009 4.162 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.313 1.972 3.573 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.569 0.898 4.021 1.00 0.00 C ATOM 432 OH TYR A 28 -17.195 -0.287 4.336 1.00 0.00 O ATOM 0 H TYR A 28 -16.565 6.036 3.506 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.502 5.073 5.163 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -15.097 5.050 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.581 4.404 2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.506 2.283 3.960 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.265 3.999 2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.624 0.168 4.515 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.384 1.883 3.464 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.159 -0.199 4.182 1.00 0.00 H new ATOM 442 N VAL A 29 -13.745 7.670 3.320 1.00 0.00 N ATOM 443 CA VAL A 29 -12.730 8.690 3.075 1.00 0.00 C ATOM 444 C VAL A 29 -12.254 9.338 4.378 1.00 0.00 C ATOM 445 O VAL A 29 -11.056 9.558 4.569 1.00 0.00 O ATOM 446 CB VAL A 29 -13.250 9.773 2.119 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.162 10.787 1.821 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.757 9.142 0.836 1.00 0.00 C ATOM 0 H VAL A 29 -14.638 7.847 2.859 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.882 8.186 2.611 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.078 10.293 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.549 11.547 1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.841 11.260 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.313 10.284 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.123 9.921 0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.945 8.600 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.568 8.451 1.066 1.00 0.00 H new ATOM 458 N GLU A 30 -13.195 9.630 5.281 1.00 0.00 N ATOM 459 CA GLU A 30 -12.857 10.216 6.583 1.00 0.00 C ATOM 460 C GLU A 30 -11.902 9.306 7.345 1.00 0.00 C ATOM 461 O GLU A 30 -11.009 9.771 8.054 1.00 0.00 O ATOM 462 CB GLU A 30 -14.106 10.441 7.431 1.00 0.00 C ATOM 463 CG GLU A 30 -15.285 10.969 6.646 1.00 0.00 C ATOM 464 CD GLU A 30 -16.462 11.321 7.529 1.00 0.00 C ATOM 465 OE1 GLU A 30 -17.348 10.461 7.723 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.513 12.464 8.034 1.00 0.00 O ATOM 0 H GLU A 30 -14.192 9.471 5.136 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.380 11.177 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.388 9.500 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.870 11.142 8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.978 11.853 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.594 10.221 5.916 1.00 0.00 H new ATOM 473 N LYS A 31 -12.095 8.005 7.182 1.00 0.00 N ATOM 474 CA LYS A 31 -11.266 7.014 7.855 1.00 0.00 C ATOM 475 C LYS A 31 -9.840 7.055 7.323 1.00 0.00 C ATOM 476 O LYS A 31 -8.882 7.110 8.093 1.00 0.00 O ATOM 477 CB LYS A 31 -11.844 5.614 7.669 1.00 0.00 C ATOM 478 CG LYS A 31 -13.282 5.489 8.135 1.00 0.00 C ATOM 479 CD LYS A 31 -13.761 4.051 8.092 1.00 0.00 C ATOM 480 CE LYS A 31 -15.245 3.956 8.432 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.539 4.464 9.799 1.00 0.00 N ATOM 0 H LYS A 31 -12.822 7.609 6.586 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.253 7.254 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.787 5.342 6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.229 4.899 8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.370 5.872 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.924 6.106 7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.585 3.635 7.100 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.184 3.451 8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.821 4.525 7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.569 2.918 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.524 4.243 10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.900 4.011 10.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.399 5.494 9.824 1.00 0.00 H new ATOM 495 N PHE A 32 -9.712 7.044 6.000 1.00 0.00 N ATOM 496 CA PHE A 32 -8.410 7.043 5.340 1.00 0.00 C ATOM 497 C PHE A 32 -7.613 8.290 5.705 1.00 0.00 C ATOM 498 O PHE A 32 -6.387 8.257 5.801 1.00 0.00 O ATOM 499 CB PHE A 32 -8.583 6.964 3.820 1.00 0.00 C ATOM 500 CG PHE A 32 -9.481 5.845 3.368 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.521 4.645 4.056 1.00 0.00 C ATOM 502 CD2 PHE A 32 -10.289 5.997 2.250 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.345 3.618 3.644 1.00 0.00 C ATOM 504 CE2 PHE A 32 -11.116 4.971 1.832 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.143 3.781 2.530 1.00 0.00 C ATOM 0 H PHE A 32 -10.504 7.036 5.357 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.860 6.167 5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.988 7.910 3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.603 6.840 3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.898 4.510 4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.272 6.927 1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.365 2.688 4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.740 5.101 0.960 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.788 2.978 2.205 1.00 0.00 H new ATOM 515 N LYS A 33 -8.319 9.388 5.936 1.00 0.00 N ATOM 516 CA LYS A 33 -7.681 10.642 6.295 1.00 0.00 C ATOM 517 C LYS A 33 -7.115 10.577 7.716 1.00 0.00 C ATOM 518 O LYS A 33 -6.381 11.468 8.142 1.00 0.00 O ATOM 519 CB LYS A 33 -8.675 11.795 6.176 1.00 0.00 C ATOM 520 CG LYS A 33 -8.010 13.109 5.804 1.00 0.00 C ATOM 521 CD LYS A 33 -9.019 14.228 5.625 1.00 0.00 C ATOM 522 CE LYS A 33 -8.369 15.469 5.030 1.00 0.00 C ATOM 523 NZ LYS A 33 -7.241 15.968 5.861 1.00 0.00 N ATOM 0 H LYS A 33 -9.336 9.433 5.880 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.856 10.815 5.604 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.424 11.547 5.424 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.201 11.915 7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.296 13.386 6.580 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.444 12.980 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.827 13.891 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.466 14.475 6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.006 15.241 4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.117 16.255 4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.918 16.885 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.559 16.082 6.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.457 15.286 5.827 1.00 0.00 H new ATOM 537 N LYS A 34 -7.462 9.521 8.446 1.00 0.00 N ATOM 538 CA LYS A 34 -6.951 9.322 9.796 1.00 0.00 C ATOM 539 C LYS A 34 -6.169 8.016 9.894 1.00 0.00 C ATOM 540 O LYS A 34 -5.982 7.472 10.984 1.00 0.00 O ATOM 541 CB LYS A 34 -8.101 9.329 10.801 1.00 0.00 C ATOM 542 CG LYS A 34 -8.742 10.696 10.975 1.00 0.00 C ATOM 543 CD LYS A 34 -9.875 10.666 11.988 1.00 0.00 C ATOM 544 CE LYS A 34 -10.987 9.719 11.564 1.00 0.00 C ATOM 545 NZ LYS A 34 -12.145 9.781 12.492 1.00 0.00 N ATOM 0 H LYS A 34 -8.096 8.790 8.124 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.273 10.143 10.030 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.861 8.618 10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.732 8.983 11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.987 11.413 11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.123 11.043 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.486 10.359 12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.280 11.671 12.110 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.315 9.971 10.556 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.603 8.699 11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.883 9.122 12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.837 9.516 13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.527 10.748 12.506 1.00 0.00 H new ATOM 559 N TRP A 35 -5.702 7.535 8.743 1.00 0.00 N ATOM 560 CA TRP A 35 -4.947 6.283 8.653 1.00 0.00 C ATOM 561 C TRP A 35 -5.734 5.091 9.205 1.00 0.00 C ATOM 562 O TRP A 35 -5.196 4.264 9.944 1.00 0.00 O ATOM 563 CB TRP A 35 -3.605 6.410 9.377 1.00 0.00 C ATOM 564 CG TRP A 35 -2.640 7.329 8.693 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.469 8.661 8.934 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.711 6.985 7.659 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.488 9.166 8.118 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.008 8.157 7.325 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.403 5.801 6.983 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.018 8.180 6.348 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.420 5.823 6.013 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.264 7.004 5.702 1.00 0.00 C ATOM 0 H TRP A 35 -5.836 8.001 7.846 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.767 6.095 7.595 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.781 6.770 10.391 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.153 5.422 9.464 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.025 9.234 9.661 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.168 10.135 8.104 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.925 4.884 7.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.509 9.091 6.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.175 4.913 5.485 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.028 6.989 4.939 1.00 0.00 H new ATOM 583 N GLU A 36 -7.001 5.003 8.835 1.00 0.00 N ATOM 584 CA GLU A 36 -7.848 3.887 9.231 1.00 0.00 C ATOM 585 C GLU A 36 -8.338 3.145 8.001 1.00 0.00 C ATOM 586 O GLU A 36 -9.066 3.697 7.179 1.00 0.00 O ATOM 587 CB GLU A 36 -9.036 4.367 10.060 1.00 0.00 C ATOM 588 CG GLU A 36 -8.666 4.848 11.447 1.00 0.00 C ATOM 589 CD GLU A 36 -9.868 5.314 12.237 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.676 4.457 12.661 1.00 0.00 O ATOM 591 OE2 GLU A 36 -10.015 6.534 12.443 1.00 0.00 O ATOM 0 H GLU A 36 -7.471 5.698 8.255 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.255 3.211 9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.534 5.177 9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.756 3.553 10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.170 4.042 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.949 5.665 11.366 1.00 0.00 H new ATOM 598 N PHE A 37 -7.929 1.894 7.879 1.00 0.00 N ATOM 599 CA PHE A 37 -8.263 1.093 6.713 1.00 0.00 C ATOM 600 C PHE A 37 -8.991 -0.176 7.132 1.00 0.00 C ATOM 601 O PHE A 37 -8.366 -1.226 7.302 1.00 0.00 O ATOM 602 CB PHE A 37 -6.986 0.735 5.940 1.00 0.00 C ATOM 603 CG PHE A 37 -6.132 1.929 5.621 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.289 2.616 4.429 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.180 2.374 6.526 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.514 3.721 4.147 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.402 3.477 6.248 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.569 4.152 5.057 1.00 0.00 C ATOM 0 H PHE A 37 -7.363 1.409 8.575 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.920 1.674 6.066 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.402 0.025 6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.260 0.234 5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.026 2.283 3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.047 1.849 7.461 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.646 4.249 3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.663 3.812 6.961 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.961 5.017 4.836 1.00 0.00 H new ATOM 618 N PRO A 38 -10.318 -0.093 7.316 1.00 0.00 N ATOM 619 CA PRO A 38 -11.137 -1.245 7.706 1.00 0.00 C ATOM 620 C PRO A 38 -11.069 -2.376 6.692 1.00 0.00 C ATOM 621 O PRO A 38 -10.900 -2.148 5.490 1.00 0.00 O ATOM 622 CB PRO A 38 -12.557 -0.681 7.762 1.00 0.00 C ATOM 623 CG PRO A 38 -12.378 0.784 7.933 1.00 0.00 C ATOM 624 CD PRO A 38 -11.136 1.123 7.157 1.00 0.00 C ATOM 0 HA PRO A 38 -10.795 -1.676 8.647 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.109 -0.908 6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.120 -1.110 8.591 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.241 1.333 7.555 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.269 1.047 8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.356 1.330 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.635 2.004 7.558 1.00 0.00 H new ATOM 632 N GLU A 39 -11.191 -3.593 7.190 1.00 0.00 N ATOM 633 CA GLU A 39 -11.191 -4.770 6.344 1.00 0.00 C ATOM 634 C GLU A 39 -12.511 -4.869 5.590 1.00 0.00 C ATOM 635 O GLU A 39 -13.483 -5.456 6.068 1.00 0.00 O ATOM 636 CB GLU A 39 -10.945 -6.022 7.179 1.00 0.00 C ATOM 637 CG GLU A 39 -10.887 -7.296 6.359 1.00 0.00 C ATOM 638 CD GLU A 39 -10.565 -8.509 7.199 1.00 0.00 C ATOM 639 OE1 GLU A 39 -11.474 -9.020 7.880 1.00 0.00 O ATOM 640 OE2 GLU A 39 -9.403 -8.961 7.174 1.00 0.00 O ATOM 0 H GLU A 39 -11.292 -3.792 8.185 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.384 -4.685 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.008 -5.907 7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.737 -6.114 7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.844 -7.447 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.134 -7.188 5.578 1.00 0.00 H new ATOM 647 N ASP A 40 -12.530 -4.262 4.419 1.00 0.00 N ATOM 648 CA ASP A 40 -13.714 -4.230 3.572 1.00 0.00 C ATOM 649 C ASP A 40 -13.286 -4.041 2.127 1.00 0.00 C ATOM 650 O ASP A 40 -12.297 -3.360 1.848 1.00 0.00 O ATOM 651 CB ASP A 40 -14.658 -3.094 3.997 1.00 0.00 C ATOM 652 CG ASP A 40 -15.878 -2.994 3.102 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.809 -2.297 2.072 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.907 -3.628 3.414 1.00 0.00 O ATOM 0 H ASP A 40 -11.725 -3.775 4.025 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.252 -5.172 3.676 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.978 -3.256 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.117 -2.148 3.977 1.00 0.00 H new ATOM 659 N ASP A 41 -14.041 -4.656 1.217 1.00 0.00 N ATOM 660 CA ASP A 41 -13.681 -4.704 -0.203 1.00 0.00 C ATOM 661 C ASP A 41 -13.596 -3.308 -0.812 1.00 0.00 C ATOM 662 O ASP A 41 -12.886 -3.104 -1.798 1.00 0.00 O ATOM 663 CB ASP A 41 -14.675 -5.562 -1.003 1.00 0.00 C ATOM 664 CG ASP A 41 -16.079 -4.991 -1.016 1.00 0.00 C ATOM 665 OD1 ASP A 41 -16.432 -4.289 -1.988 1.00 0.00 O ATOM 666 OD2 ASP A 41 -16.838 -5.247 -0.058 1.00 0.00 O ATOM 0 H ASP A 41 -14.915 -5.133 1.440 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.694 -5.164 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.319 -5.658 -2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.702 -6.566 -0.580 1.00 0.00 H new ATOM 671 N THR A 42 -14.318 -2.352 -0.231 1.00 0.00 N ATOM 672 CA THR A 42 -14.256 -0.967 -0.673 1.00 0.00 C ATOM 673 C THR A 42 -12.847 -0.410 -0.478 1.00 0.00 C ATOM 674 O THR A 42 -12.197 0.026 -1.432 1.00 0.00 O ATOM 675 CB THR A 42 -15.252 -0.102 0.116 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.544 -0.726 0.124 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.355 1.286 -0.485 1.00 0.00 C ATOM 0 H THR A 42 -14.954 -2.516 0.550 1.00 0.00 H new ATOM 0 HA THR A 42 -14.516 -0.940 -1.731 1.00 0.00 H new ATOM 0 HB THR A 42 -14.889 -0.009 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.606 -1.341 0.884 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.066 1.880 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.377 1.767 -0.461 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.697 1.211 -1.517 1.00 0.00 H new ATOM 685 N THR A 43 -12.384 -0.455 0.768 1.00 0.00 N ATOM 686 CA THR A 43 -11.042 -0.019 1.128 1.00 0.00 C ATOM 687 C THR A 43 -9.981 -0.756 0.309 1.00 0.00 C ATOM 688 O THR A 43 -8.963 -0.182 -0.075 1.00 0.00 O ATOM 689 CB THR A 43 -10.786 -0.276 2.624 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.852 0.285 3.404 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.461 0.326 3.063 1.00 0.00 C ATOM 0 H THR A 43 -12.932 -0.796 1.558 1.00 0.00 H new ATOM 0 HA THR A 43 -10.973 1.048 0.915 1.00 0.00 H new ATOM 0 HB THR A 43 -10.744 -1.354 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.662 1.229 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.306 0.130 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.650 -0.122 2.489 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.476 1.402 2.892 1.00 0.00 H new ATOM 699 N MET A 44 -10.245 -2.024 0.029 1.00 0.00 N ATOM 700 CA MET A 44 -9.291 -2.869 -0.671 1.00 0.00 C ATOM 701 C MET A 44 -9.059 -2.383 -2.098 1.00 0.00 C ATOM 702 O MET A 44 -7.917 -2.194 -2.520 1.00 0.00 O ATOM 703 CB MET A 44 -9.781 -4.314 -0.682 1.00 0.00 C ATOM 704 CG MET A 44 -9.933 -4.905 0.707 1.00 0.00 C ATOM 705 SD MET A 44 -10.551 -6.595 0.698 1.00 0.00 S ATOM 706 CE MET A 44 -10.615 -6.918 2.459 1.00 0.00 C ATOM 0 H MET A 44 -11.117 -2.491 0.278 1.00 0.00 H new ATOM 0 HA MET A 44 -8.341 -2.815 -0.140 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.741 -4.361 -1.197 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.082 -4.923 -1.254 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.967 -4.881 1.212 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.612 -4.280 1.288 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.232 -7.797 2.646 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.607 -7.097 2.833 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.045 -6.057 2.971 1.00 0.00 H new ATOM 716 N CYS A 45 -10.143 -2.173 -2.837 1.00 0.00 N ATOM 717 CA CYS A 45 -10.044 -1.692 -4.211 1.00 0.00 C ATOM 718 C CYS A 45 -9.442 -0.292 -4.238 1.00 0.00 C ATOM 719 O CYS A 45 -8.739 0.079 -5.181 1.00 0.00 O ATOM 720 CB CYS A 45 -11.416 -1.700 -4.892 1.00 0.00 C ATOM 721 SG CYS A 45 -12.199 -3.346 -4.971 1.00 0.00 S ATOM 0 H CYS A 45 -11.097 -2.327 -2.510 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.388 -2.365 -4.764 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.079 -1.019 -4.358 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.309 -1.311 -5.905 1.00 0.00 H new ATOM 726 N TYR A 46 -9.707 0.466 -3.183 1.00 0.00 N ATOM 727 CA TYR A 46 -9.163 1.804 -3.031 1.00 0.00 C ATOM 728 C TYR A 46 -7.641 1.761 -2.977 1.00 0.00 C ATOM 729 O TYR A 46 -6.963 2.526 -3.663 1.00 0.00 O ATOM 730 CB TYR A 46 -9.749 2.433 -1.764 1.00 0.00 C ATOM 731 CG TYR A 46 -9.006 3.649 -1.258 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.247 3.578 -0.095 1.00 0.00 C ATOM 733 CD2 TYR A 46 -9.074 4.864 -1.926 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.582 4.686 0.390 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.406 5.974 -1.449 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.664 5.881 -0.289 1.00 0.00 C ATOM 737 OH TYR A 46 -7.012 6.989 0.191 1.00 0.00 O ATOM 0 H TYR A 46 -10.304 0.170 -2.411 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.437 2.415 -3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.784 2.712 -1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.765 1.680 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.177 2.641 0.437 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.658 4.942 -2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.000 4.616 1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.464 6.912 -1.982 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.957 6.939 1.168 1.00 0.00 H new ATOM 747 N ILE A 47 -7.116 0.840 -2.179 1.00 0.00 N ATOM 748 CA ILE A 47 -5.680 0.706 -2.000 1.00 0.00 C ATOM 749 C ILE A 47 -4.971 0.343 -3.305 1.00 0.00 C ATOM 750 O ILE A 47 -3.915 0.900 -3.601 1.00 0.00 O ATOM 751 CB ILE A 47 -5.342 -0.330 -0.904 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.779 0.188 0.480 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.854 -0.667 -0.911 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.140 1.508 0.883 1.00 0.00 C ATOM 0 H ILE A 47 -7.669 0.172 -1.643 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.314 1.682 -1.680 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.893 -1.245 -1.119 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.863 0.305 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.536 -0.564 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.643 -1.398 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.580 -1.082 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.275 0.238 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.501 1.801 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.056 1.394 0.913 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.404 2.277 0.157 1.00 0.00 H new ATOM 766 N LYS A 48 -5.545 -0.562 -4.105 1.00 0.00 N ATOM 767 CA LYS A 48 -4.892 -0.945 -5.358 1.00 0.00 C ATOM 768 C LYS A 48 -4.794 0.249 -6.291 1.00 0.00 C ATOM 769 O LYS A 48 -3.750 0.486 -6.886 1.00 0.00 O ATOM 770 CB LYS A 48 -5.602 -2.088 -6.104 1.00 0.00 C ATOM 771 CG LYS A 48 -6.996 -2.413 -5.618 1.00 0.00 C ATOM 772 CD LYS A 48 -7.766 -3.213 -6.661 1.00 0.00 C ATOM 773 CE LYS A 48 -8.053 -2.383 -7.906 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.808 -3.150 -8.931 1.00 0.00 N ATOM 0 H LYS A 48 -6.432 -1.029 -3.915 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.903 -1.303 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.655 -1.831 -7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.990 -2.986 -6.025 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.938 -2.981 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.531 -1.490 -5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.193 -4.098 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.705 -3.563 -6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.622 -1.496 -7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.112 -2.036 -8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.980 -2.546 -9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.255 -3.983 -9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.718 -3.459 -8.533 1.00 0.00 H new ATOM 788 N CYS A 49 -5.892 0.992 -6.419 1.00 0.00 N ATOM 789 CA CYS A 49 -5.919 2.169 -7.278 1.00 0.00 C ATOM 790 C CYS A 49 -4.841 3.173 -6.871 1.00 0.00 C ATOM 791 O CYS A 49 -4.090 3.657 -7.715 1.00 0.00 O ATOM 792 CB CYS A 49 -7.298 2.828 -7.247 1.00 0.00 C ATOM 793 SG CYS A 49 -7.354 4.463 -8.057 1.00 0.00 S ATOM 0 H CYS A 49 -6.771 0.799 -5.939 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.712 1.843 -8.297 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.016 2.168 -7.733 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.615 2.936 -6.210 1.00 0.00 H new ATOM 798 N VAL A 50 -4.756 3.462 -5.574 1.00 0.00 N ATOM 799 CA VAL A 50 -3.790 4.420 -5.062 1.00 0.00 C ATOM 800 C VAL A 50 -2.367 3.941 -5.312 1.00 0.00 C ATOM 801 O VAL A 50 -1.519 4.686 -5.805 1.00 0.00 O ATOM 802 CB VAL A 50 -4.002 4.659 -3.555 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.913 5.544 -2.982 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.363 5.276 -3.311 1.00 0.00 C ATOM 0 H VAL A 50 -5.350 3.042 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.942 5.360 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.953 3.695 -3.049 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.090 5.695 -1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.943 5.067 -3.125 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.922 6.508 -3.491 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.502 5.440 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.430 6.229 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.138 4.604 -3.678 1.00 0.00 H new ATOM 814 N PHE A 51 -2.129 2.679 -4.997 1.00 0.00 N ATOM 815 CA PHE A 51 -0.821 2.069 -5.171 1.00 0.00 C ATOM 816 C PHE A 51 -0.451 1.996 -6.652 1.00 0.00 C ATOM 817 O PHE A 51 0.721 1.972 -7.017 1.00 0.00 O ATOM 818 CB PHE A 51 -0.826 0.674 -4.546 1.00 0.00 C ATOM 819 CG PHE A 51 -0.519 0.652 -3.073 1.00 0.00 C ATOM 820 CD1 PHE A 51 0.028 -0.480 -2.488 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.780 1.754 -2.270 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.306 -0.514 -1.136 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.502 1.725 -0.919 1.00 0.00 C ATOM 824 CZ PHE A 51 0.041 0.591 -0.351 1.00 0.00 C ATOM 0 H PHE A 51 -2.835 2.050 -4.614 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.071 2.682 -4.671 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.804 0.220 -4.708 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.096 0.053 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.239 -1.346 -3.098 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.206 2.645 -2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.730 -1.403 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.709 2.590 -0.306 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.259 0.567 0.707 1.00 0.00 H new ATOM 834 N ASN A 52 -1.471 1.976 -7.497 1.00 0.00 N ATOM 835 CA ASN A 52 -1.285 1.927 -8.943 1.00 0.00 C ATOM 836 C ASN A 52 -0.958 3.319 -9.470 1.00 0.00 C ATOM 837 O ASN A 52 -0.126 3.485 -10.362 1.00 0.00 O ATOM 838 CB ASN A 52 -2.558 1.393 -9.614 1.00 0.00 C ATOM 839 CG ASN A 52 -2.433 1.240 -11.121 1.00 0.00 C ATOM 840 OD1 ASN A 52 -1.262 0.834 -11.592 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -3.400 1.452 -11.854 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.448 1.993 -7.203 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.456 1.258 -9.176 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.810 0.426 -9.179 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.385 2.067 -9.393 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.285 1.764 -11.454 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.316 1.316 -12.861 1.00 0.00 H new ATOM 848 N LYS A 53 -1.605 4.318 -8.887 1.00 0.00 N ATOM 849 CA LYS A 53 -1.398 5.710 -9.267 1.00 0.00 C ATOM 850 C LYS A 53 -0.014 6.179 -8.846 1.00 0.00 C ATOM 851 O LYS A 53 0.567 7.074 -9.453 1.00 0.00 O ATOM 852 CB LYS A 53 -2.456 6.596 -8.610 1.00 0.00 C ATOM 853 CG LYS A 53 -3.826 6.547 -9.275 1.00 0.00 C ATOM 854 CD LYS A 53 -3.786 7.036 -10.714 1.00 0.00 C ATOM 855 CE LYS A 53 -5.173 7.016 -11.333 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.146 7.385 -12.772 1.00 0.00 N ATOM 0 H LYS A 53 -2.287 4.188 -8.139 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.483 5.785 -10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.562 6.299 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.101 7.627 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.203 5.524 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.526 7.158 -8.705 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.383 8.048 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.114 6.407 -11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.605 6.022 -11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.821 7.707 -10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.112 7.359 -13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.758 8.344 -12.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.549 6.711 -13.292 1.00 0.00 H new ATOM 870 N MET A 54 0.503 5.563 -7.795 1.00 0.00 N ATOM 871 CA MET A 54 1.800 5.928 -7.248 1.00 0.00 C ATOM 872 C MET A 54 2.920 5.104 -7.869 1.00 0.00 C ATOM 873 O MET A 54 4.076 5.206 -7.457 1.00 0.00 O ATOM 874 CB MET A 54 1.787 5.743 -5.732 1.00 0.00 C ATOM 875 CG MET A 54 0.903 6.750 -5.021 1.00 0.00 C ATOM 876 SD MET A 54 0.558 6.302 -3.312 1.00 0.00 S ATOM 877 CE MET A 54 2.122 6.671 -2.530 1.00 0.00 C ATOM 0 H MET A 54 0.039 4.801 -7.300 1.00 0.00 H new ATOM 0 HA MET A 54 1.989 6.975 -7.487 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.443 4.736 -5.497 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.805 5.829 -5.352 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.384 7.728 -5.044 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.038 6.845 -5.563 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.121 6.281 -1.512 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.930 6.207 -3.096 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.270 7.751 -2.505 1.00 0.00 H new ATOM 887 N GLN A 55 2.557 4.291 -8.869 1.00 0.00 N ATOM 888 CA GLN A 55 3.501 3.412 -9.555 1.00 0.00 C ATOM 889 C GLN A 55 4.216 2.490 -8.569 1.00 0.00 C ATOM 890 O GLN A 55 5.433 2.329 -8.617 1.00 0.00 O ATOM 891 CB GLN A 55 4.502 4.238 -10.360 1.00 0.00 C ATOM 892 CG GLN A 55 3.941 4.733 -11.679 1.00 0.00 C ATOM 893 CD GLN A 55 4.904 5.639 -12.424 1.00 0.00 C ATOM 894 OE1 GLN A 55 6.122 5.501 -12.309 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.367 6.577 -13.187 1.00 0.00 N ATOM 0 H GLN A 55 1.602 4.227 -9.222 1.00 0.00 H new ATOM 0 HA GLN A 55 2.941 2.780 -10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.821 5.093 -9.764 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.389 3.635 -10.553 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.694 3.877 -12.308 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.012 5.272 -11.494 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.353 6.659 -13.256 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.967 7.218 -13.706 1.00 0.00 H new ATOM 904 N LEU A 56 3.442 1.881 -7.684 1.00 0.00 N ATOM 905 CA LEU A 56 3.994 1.066 -6.612 1.00 0.00 C ATOM 906 C LEU A 56 3.427 -0.354 -6.648 1.00 0.00 C ATOM 907 O LEU A 56 3.994 -1.281 -6.067 1.00 0.00 O ATOM 908 CB LEU A 56 3.702 1.738 -5.259 1.00 0.00 C ATOM 909 CG LEU A 56 4.858 2.558 -4.683 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.436 3.257 -3.398 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.062 1.676 -4.421 1.00 0.00 C ATOM 0 H LEU A 56 2.424 1.936 -7.687 1.00 0.00 H new ATOM 0 HA LEU A 56 5.073 0.988 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.835 2.389 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.429 0.967 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 56 5.132 3.315 -5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.273 3.834 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.600 3.925 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.132 2.513 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.873 2.279 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.794 0.897 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.387 1.217 -5.355 1.00 0.00 H new ATOM 923 N PHE A 57 2.309 -0.515 -7.345 1.00 0.00 N ATOM 924 CA PHE A 57 1.653 -1.810 -7.466 1.00 0.00 C ATOM 925 C PHE A 57 1.133 -1.987 -8.883 1.00 0.00 C ATOM 926 O PHE A 57 0.616 -1.044 -9.487 1.00 0.00 O ATOM 927 CB PHE A 57 0.497 -1.930 -6.456 1.00 0.00 C ATOM 928 CG PHE A 57 -0.336 -3.178 -6.600 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.521 -3.154 -7.323 1.00 0.00 C ATOM 930 CD2 PHE A 57 0.055 -4.368 -6.007 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.294 -4.292 -7.454 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.714 -5.509 -6.136 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.889 -5.472 -6.861 1.00 0.00 C ATOM 0 H PHE A 57 1.835 0.242 -7.838 1.00 0.00 H new ATOM 0 HA PHE A 57 2.378 -2.594 -7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.909 -1.898 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.153 -1.061 -6.563 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.843 -2.234 -7.789 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.972 -4.404 -5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.214 -4.259 -8.019 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.396 -6.430 -5.670 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.490 -6.364 -6.964 1.00 0.00 H new ATOM 943 N ASP A 58 1.285 -3.186 -9.407 1.00 0.00 N ATOM 944 CA ASP A 58 0.799 -3.510 -10.736 1.00 0.00 C ATOM 945 C ASP A 58 -0.240 -4.623 -10.635 1.00 0.00 C ATOM 946 O ASP A 58 -0.087 -5.549 -9.840 1.00 0.00 O ATOM 947 CB ASP A 58 1.969 -3.929 -11.633 1.00 0.00 C ATOM 948 CG ASP A 58 1.529 -4.331 -13.024 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.180 -5.506 -13.218 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.535 -3.471 -13.930 1.00 0.00 O ATOM 0 H ASP A 58 1.746 -3.960 -8.929 1.00 0.00 H new ATOM 0 HA ASP A 58 0.330 -2.633 -11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.678 -3.104 -11.706 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.496 -4.763 -11.169 1.00 0.00 H new ATOM 955 N ASP A 59 -1.296 -4.526 -11.438 1.00 0.00 N ATOM 956 CA ASP A 59 -2.435 -5.445 -11.339 1.00 0.00 C ATOM 957 C ASP A 59 -2.082 -6.836 -11.852 1.00 0.00 C ATOM 958 O ASP A 59 -2.858 -7.782 -11.701 1.00 0.00 O ATOM 959 CB ASP A 59 -3.628 -4.906 -12.134 1.00 0.00 C ATOM 960 CG ASP A 59 -3.410 -4.978 -13.634 1.00 0.00 C ATOM 961 OD1 ASP A 59 -3.890 -5.942 -14.265 1.00 0.00 O ATOM 962 OD2 ASP A 59 -2.763 -4.067 -14.190 1.00 0.00 O ATOM 0 H ASP A 59 -1.390 -3.819 -12.168 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.697 -5.520 -10.284 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.521 -5.474 -11.873 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.814 -3.871 -11.847 1.00 0.00 H new ATOM 967 N THR A 60 -0.927 -6.947 -12.479 1.00 0.00 N ATOM 968 CA THR A 60 -0.467 -8.204 -13.025 1.00 0.00 C ATOM 969 C THR A 60 0.727 -8.744 -12.237 1.00 0.00 C ATOM 970 O THR A 60 0.687 -9.857 -11.707 1.00 0.00 O ATOM 971 CB THR A 60 -0.079 -8.014 -14.501 1.00 0.00 C ATOM 972 OG1 THR A 60 -1.255 -7.738 -15.281 1.00 0.00 O ATOM 973 CG2 THR A 60 0.647 -9.232 -15.043 1.00 0.00 C ATOM 0 H THR A 60 -0.284 -6.168 -12.623 1.00 0.00 H new ATOM 0 HA THR A 60 -1.277 -8.929 -12.949 1.00 0.00 H new ATOM 0 HB THR A 60 0.604 -7.167 -14.570 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.003 -7.616 -16.220 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.907 -9.065 -16.088 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.556 -9.401 -14.465 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.000 -10.106 -14.965 1.00 0.00 H new ATOM 981 N GLU A 61 1.781 -7.942 -12.156 1.00 0.00 N ATOM 982 CA GLU A 61 3.022 -8.361 -11.515 1.00 0.00 C ATOM 983 C GLU A 61 2.966 -8.197 -9.993 1.00 0.00 C ATOM 984 O GLU A 61 3.870 -8.642 -9.286 1.00 0.00 O ATOM 985 CB GLU A 61 4.204 -7.570 -12.072 1.00 0.00 C ATOM 986 CG GLU A 61 4.180 -7.434 -13.581 1.00 0.00 C ATOM 987 CD GLU A 61 5.394 -6.713 -14.122 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.336 -5.476 -14.289 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.413 -7.382 -14.393 1.00 0.00 O ATOM 0 H GLU A 61 1.801 -6.993 -12.528 1.00 0.00 H new ATOM 0 HA GLU A 61 3.154 -9.420 -11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.209 -6.576 -11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.132 -8.059 -11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.121 -8.425 -14.030 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.280 -6.896 -13.879 1.00 0.00 H new ATOM 996 N GLY A 62 1.918 -7.555 -9.493 1.00 0.00 N ATOM 997 CA GLY A 62 1.764 -7.394 -8.056 1.00 0.00 C ATOM 998 C GLY A 62 2.595 -6.257 -7.493 1.00 0.00 C ATOM 999 O GLY A 62 2.919 -5.310 -8.209 1.00 0.00 O ATOM 0 H GLY A 62 1.172 -7.143 -10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.713 -7.216 -7.827 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.046 -8.323 -7.560 1.00 0.00 H new ATOM 1003 N PRO A 63 2.941 -6.327 -6.196 1.00 0.00 N ATOM 1004 CA PRO A 63 3.763 -5.310 -5.530 1.00 0.00 C ATOM 1005 C PRO A 63 5.122 -5.152 -6.200 1.00 0.00 C ATOM 1006 O PRO A 63 5.884 -6.114 -6.317 1.00 0.00 O ATOM 1007 CB PRO A 63 3.934 -5.845 -4.100 1.00 0.00 C ATOM 1008 CG PRO A 63 2.839 -6.840 -3.915 1.00 0.00 C ATOM 1009 CD PRO A 63 2.549 -7.409 -5.279 1.00 0.00 C ATOM 0 HA PRO A 63 3.297 -4.325 -5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.912 -6.308 -3.968 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.861 -5.040 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.141 -7.626 -3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.951 -6.367 -3.494 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.121 -8.318 -5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.496 -7.667 -5.390 1.00 0.00 H new ATOM 1017 N LEU A 64 5.416 -3.942 -6.646 1.00 0.00 N ATOM 1018 CA LEU A 64 6.675 -3.664 -7.323 1.00 0.00 C ATOM 1019 C LEU A 64 7.765 -3.412 -6.296 1.00 0.00 C ATOM 1020 O LEU A 64 7.987 -2.281 -5.870 1.00 0.00 O ATOM 1021 CB LEU A 64 6.532 -2.463 -8.260 1.00 0.00 C ATOM 1022 CG LEU A 64 5.349 -2.556 -9.227 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.198 -1.272 -10.026 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.527 -3.743 -10.156 1.00 0.00 C ATOM 0 H LEU A 64 4.800 -3.134 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 64 6.949 -4.530 -7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.425 -1.559 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.450 -2.356 -8.837 1.00 0.00 H new ATOM 0 HG LEU A 64 4.439 -2.698 -8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.351 -1.364 -10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.029 -0.438 -9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.106 -1.092 -10.601 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.680 -3.800 -10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.447 -3.623 -10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.582 -4.660 -9.569 1.00 0.00 H new ATOM 1036 N VAL A 65 8.434 -4.495 -5.914 1.00 0.00 N ATOM 1037 CA VAL A 65 9.428 -4.490 -4.846 1.00 0.00 C ATOM 1038 C VAL A 65 10.464 -3.382 -5.015 1.00 0.00 C ATOM 1039 O VAL A 65 10.783 -2.684 -4.058 1.00 0.00 O ATOM 1040 CB VAL A 65 10.144 -5.850 -4.762 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.281 -5.812 -3.752 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.152 -6.941 -4.404 1.00 0.00 C ATOM 0 H VAL A 65 8.300 -5.411 -6.342 1.00 0.00 H new ATOM 0 HA VAL A 65 8.885 -4.301 -3.920 1.00 0.00 H new ATOM 0 HB VAL A 65 10.574 -6.069 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.768 -6.787 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.007 -5.055 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.884 -5.567 -2.767 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.669 -7.899 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.697 -6.717 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.376 -6.992 -5.168 1.00 0.00 H new ATOM 1052 N ASP A 66 10.972 -3.213 -6.229 1.00 0.00 N ATOM 1053 CA ASP A 66 12.016 -2.222 -6.488 1.00 0.00 C ATOM 1054 C ASP A 66 11.550 -0.815 -6.123 1.00 0.00 C ATOM 1055 O ASP A 66 12.189 -0.133 -5.318 1.00 0.00 O ATOM 1056 CB ASP A 66 12.442 -2.277 -7.951 1.00 0.00 C ATOM 1057 CG ASP A 66 13.561 -1.306 -8.276 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.735 -1.613 -7.964 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.278 -0.243 -8.864 1.00 0.00 O ATOM 0 H ASP A 66 10.681 -3.746 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 66 12.873 -2.463 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.765 -3.290 -8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.582 -2.057 -8.583 1.00 0.00 H new ATOM 1064 N ASN A 67 10.426 -0.388 -6.694 1.00 0.00 N ATOM 1065 CA ASN A 67 9.865 0.927 -6.390 1.00 0.00 C ATOM 1066 C ASN A 67 9.503 1.027 -4.914 1.00 0.00 C ATOM 1067 O ASN A 67 9.646 2.082 -4.300 1.00 0.00 O ATOM 1068 CB ASN A 67 8.629 1.211 -7.245 1.00 0.00 C ATOM 1069 CG ASN A 67 8.963 1.496 -8.696 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.954 1.001 -9.229 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.130 2.287 -9.349 1.00 0.00 N ATOM 0 H ASN A 67 9.887 -0.931 -7.368 1.00 0.00 H new ATOM 0 HA ASN A 67 10.626 1.672 -6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.955 0.356 -7.195 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.094 2.064 -6.827 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.299 2.506 -10.331 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.318 2.678 -8.871 1.00 0.00 H new ATOM 1078 N LEU A 68 9.049 -0.089 -4.356 1.00 0.00 N ATOM 1079 CA LEU A 68 8.677 -0.159 -2.947 1.00 0.00 C ATOM 1080 C LEU A 68 9.864 0.165 -2.050 1.00 0.00 C ATOM 1081 O LEU A 68 9.735 0.897 -1.074 1.00 0.00 O ATOM 1082 CB LEU A 68 8.114 -1.545 -2.622 1.00 0.00 C ATOM 1083 CG LEU A 68 6.638 -1.727 -2.973 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.269 -3.200 -3.009 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.770 -0.996 -1.967 1.00 0.00 C ATOM 0 H LEU A 68 8.929 -0.966 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 68 7.905 0.587 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.697 -2.295 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.248 -1.737 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 68 6.466 -1.307 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.214 -3.305 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.873 -3.708 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.455 -3.646 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.720 -1.132 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.953 -1.397 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.013 0.067 -1.981 1.00 0.00 H new ATOM 1097 N VAL A 69 11.020 -0.371 -2.400 1.00 0.00 N ATOM 1098 CA VAL A 69 12.243 -0.104 -1.667 1.00 0.00 C ATOM 1099 C VAL A 69 12.709 1.332 -1.891 1.00 0.00 C ATOM 1100 O VAL A 69 13.061 2.027 -0.946 1.00 0.00 O ATOM 1101 CB VAL A 69 13.351 -1.081 -2.080 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.631 -0.780 -1.332 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.919 -2.512 -1.827 1.00 0.00 C ATOM 0 H VAL A 69 11.136 -0.999 -3.195 1.00 0.00 H new ATOM 0 HA VAL A 69 12.031 -0.242 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 69 13.536 -0.957 -3.147 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.405 -1.483 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.954 0.236 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.457 -0.876 -0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.717 -3.191 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.707 -2.646 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.022 -2.729 -2.407 1.00 0.00 H new ATOM 1113 N HIS A 70 12.680 1.787 -3.138 1.00 0.00 N ATOM 1114 CA HIS A 70 13.113 3.147 -3.464 1.00 0.00 C ATOM 1115 C HIS A 70 12.240 4.195 -2.771 1.00 0.00 C ATOM 1116 O HIS A 70 12.670 5.325 -2.544 1.00 0.00 O ATOM 1117 CB HIS A 70 13.094 3.385 -4.975 1.00 0.00 C ATOM 1118 CG HIS A 70 14.252 2.772 -5.709 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.382 1.571 -6.319 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 15.448 3.427 -5.909 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 15.636 1.524 -6.876 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 16.256 2.657 -6.613 1.00 0.00 N flip ATOM 0 H HIS A 70 12.363 1.240 -3.939 1.00 0.00 H new ATOM 0 HA HIS A 70 14.136 3.250 -3.101 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.166 2.984 -5.383 1.00 0.00 H new ATOM 0 HB3 HIS A 70 13.087 4.459 -5.162 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.677 0.835 -6.358 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.687 4.416 -5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.046 0.697 -7.436 1.00 0.00 H new ATOM 1131 N GLN A 71 11.015 3.813 -2.449 1.00 0.00 N ATOM 1132 CA GLN A 71 10.081 4.708 -1.777 1.00 0.00 C ATOM 1133 C GLN A 71 10.207 4.593 -0.259 1.00 0.00 C ATOM 1134 O GLN A 71 10.514 5.571 0.425 1.00 0.00 O ATOM 1135 CB GLN A 71 8.649 4.379 -2.205 1.00 0.00 C ATOM 1136 CG GLN A 71 7.611 5.399 -1.750 1.00 0.00 C ATOM 1137 CD GLN A 71 7.857 6.796 -2.293 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.555 7.612 -1.522 1.00 0.00 O flip ATOM 1139 NE2 GLN A 71 7.403 7.146 -3.382 1.00 0.00 N flip ATOM 0 H GLN A 71 10.641 2.884 -2.643 1.00 0.00 H new ATOM 0 HA GLN A 71 10.322 5.732 -2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.615 4.303 -3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.379 3.400 -1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.622 5.064 -2.064 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.604 5.437 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.869 6.486 -3.948 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.561 8.096 -3.719 1.00 0.00 H new ATOM 1148 N LEU A 72 9.964 3.393 0.255 1.00 0.00 N ATOM 1149 CA LEU A 72 9.961 3.149 1.697 1.00 0.00 C ATOM 1150 C LEU A 72 11.333 3.385 2.327 1.00 0.00 C ATOM 1151 O LEU A 72 11.440 4.046 3.362 1.00 0.00 O ATOM 1152 CB LEU A 72 9.492 1.724 2.004 1.00 0.00 C ATOM 1153 CG LEU A 72 8.020 1.436 1.703 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.722 -0.044 1.884 1.00 0.00 C ATOM 1155 CD2 LEU A 72 7.111 2.264 2.599 1.00 0.00 C ATOM 0 H LEU A 72 9.765 2.566 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 72 9.264 3.864 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.105 1.027 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.676 1.519 3.059 1.00 0.00 H new ATOM 0 HG LEU A 72 7.827 1.712 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.671 -0.233 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.344 -0.626 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.938 -0.335 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.070 2.042 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.309 2.021 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.302 3.324 2.431 1.00 0.00 H new ATOM 1167 N ALA A 73 12.377 2.856 1.693 1.00 0.00 N ATOM 1168 CA ALA A 73 13.738 2.954 2.215 1.00 0.00 C ATOM 1169 C ALA A 73 14.337 4.352 2.036 1.00 0.00 C ATOM 1170 O ALA A 73 15.538 4.498 1.805 1.00 0.00 O ATOM 1171 CB ALA A 73 14.623 1.912 1.558 1.00 0.00 C ATOM 0 H ALA A 73 12.305 2.351 0.810 1.00 0.00 H new ATOM 0 HA ALA A 73 13.687 2.766 3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.635 1.993 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.230 0.917 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.640 2.076 0.481 1.00 0.00 H new ATOM 1177 N HIS A 74 13.496 5.372 2.132 1.00 0.00 N ATOM 1178 CA HIS A 74 13.933 6.758 2.006 1.00 0.00 C ATOM 1179 C HIS A 74 14.770 7.157 3.225 1.00 0.00 C ATOM 1180 O HIS A 74 14.256 7.730 4.187 1.00 0.00 O ATOM 1181 CB HIS A 74 12.713 7.684 1.862 1.00 0.00 C ATOM 1182 CG HIS A 74 13.050 9.106 1.531 1.00 0.00 C ATOM 1183 ND1 HIS A 74 13.004 10.125 2.457 1.00 0.00 N ATOM 1184 CD2 HIS A 74 13.408 9.682 0.358 1.00 0.00 C ATOM 1185 CE1 HIS A 74 13.314 11.264 1.869 1.00 0.00 C ATOM 1186 NE2 HIS A 74 13.564 11.022 0.597 1.00 0.00 N ATOM 0 H HIS A 74 12.495 5.265 2.299 1.00 0.00 H new ATOM 0 HA HIS A 74 14.551 6.857 1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.061 7.287 1.084 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.146 7.665 2.793 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.545 9.179 -0.588 1.00 0.00 H new ATOM 0 HE1 HIS A 74 13.356 12.231 2.348 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.831 11.720 -0.097 1.00 0.00 H new ATOM 1195 N GLY A 75 16.056 6.842 3.180 1.00 0.00 N ATOM 1196 CA GLY A 75 16.927 7.104 4.309 1.00 0.00 C ATOM 1197 C GLY A 75 17.056 5.895 5.215 1.00 0.00 C ATOM 1198 O GLY A 75 17.104 6.026 6.439 1.00 0.00 O ATOM 0 H GLY A 75 16.514 6.408 2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.914 7.394 3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.537 7.946 4.881 1.00 0.00 H new ATOM 1202 N ARG A 76 17.100 4.713 4.611 1.00 0.00 N ATOM 1203 CA ARG A 76 17.203 3.461 5.357 1.00 0.00 C ATOM 1204 C ARG A 76 17.842 2.374 4.504 1.00 0.00 C ATOM 1205 O ARG A 76 17.945 2.515 3.284 1.00 0.00 O ATOM 1206 CB ARG A 76 15.825 2.992 5.827 1.00 0.00 C ATOM 1207 CG ARG A 76 15.515 3.322 7.275 1.00 0.00 C ATOM 1208 CD ARG A 76 14.271 2.595 7.753 1.00 0.00 C ATOM 1209 NE ARG A 76 14.097 2.699 9.200 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.830 1.664 9.999 1.00 0.00 C ATOM 1211 NH1 ARG A 76 13.668 0.444 9.498 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.723 1.856 11.306 1.00 0.00 N ATOM 0 H ARG A 76 17.066 4.594 3.599 1.00 0.00 H new ATOM 0 HA ARG A 76 17.832 3.648 6.228 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.064 3.445 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.754 1.913 5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.363 3.047 7.902 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.374 4.397 7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.395 3.008 7.252 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.334 1.544 7.470 1.00 0.00 H new ATOM 0 HE ARG A 76 14.185 3.621 9.627 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.747 0.291 8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.464 -0.339 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.845 2.791 11.696 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.519 1.069 11.922 1.00 0.00 H new ATOM 1226 N ASP A 77 18.267 1.294 5.161 1.00 0.00 N ATOM 1227 CA ASP A 77 18.863 0.147 4.484 1.00 0.00 C ATOM 1228 C ASP A 77 17.866 -0.492 3.535 1.00 0.00 C ATOM 1229 O ASP A 77 16.908 -1.141 3.957 1.00 0.00 O ATOM 1230 CB ASP A 77 19.346 -0.895 5.497 1.00 0.00 C ATOM 1231 CG ASP A 77 20.469 -0.387 6.379 1.00 0.00 C ATOM 1232 OD1 ASP A 77 20.178 0.224 7.428 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.650 -0.596 6.032 1.00 0.00 O ATOM 0 H ASP A 77 18.207 1.192 6.174 1.00 0.00 H new ATOM 0 HA ASP A 77 19.719 0.507 3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.508 -1.200 6.124 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.684 -1.783 4.963 1.00 0.00 H new ATOM 1238 N ALA A 78 18.115 -0.294 2.250 1.00 0.00 N ATOM 1239 CA ALA A 78 17.252 -0.789 1.190 1.00 0.00 C ATOM 1240 C ALA A 78 17.048 -2.298 1.278 1.00 0.00 C ATOM 1241 O ALA A 78 15.949 -2.795 1.047 1.00 0.00 O ATOM 1242 CB ALA A 78 17.848 -0.419 -0.156 1.00 0.00 C ATOM 0 H ALA A 78 18.929 0.219 1.911 1.00 0.00 H new ATOM 0 HA ALA A 78 16.273 -0.324 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.203 -0.789 -0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.932 0.665 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.837 -0.867 -0.252 1.00 0.00 H new ATOM 1248 N GLU A 79 18.108 -3.019 1.619 1.00 0.00 N ATOM 1249 CA GLU A 79 18.048 -4.475 1.723 1.00 0.00 C ATOM 1250 C GLU A 79 17.138 -4.907 2.864 1.00 0.00 C ATOM 1251 O GLU A 79 16.392 -5.882 2.748 1.00 0.00 O ATOM 1252 CB GLU A 79 19.441 -5.055 1.932 1.00 0.00 C ATOM 1253 CG GLU A 79 20.348 -4.907 0.726 1.00 0.00 C ATOM 1254 CD GLU A 79 21.690 -5.567 0.937 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.620 -4.895 1.436 1.00 0.00 O ATOM 1256 OE2 GLU A 79 21.821 -6.766 0.616 1.00 0.00 O ATOM 0 H GLU A 79 19.023 -2.620 1.829 1.00 0.00 H new ATOM 0 HA GLU A 79 17.638 -4.856 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.905 -4.564 2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.351 -6.112 2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.863 -5.344 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.495 -3.848 0.512 1.00 0.00 H new ATOM 1263 N GLU A 80 17.208 -4.176 3.965 1.00 0.00 N ATOM 1264 CA GLU A 80 16.382 -4.454 5.129 1.00 0.00 C ATOM 1265 C GLU A 80 14.914 -4.210 4.774 1.00 0.00 C ATOM 1266 O GLU A 80 14.053 -5.061 5.003 1.00 0.00 O ATOM 1267 CB GLU A 80 16.837 -3.563 6.291 1.00 0.00 C ATOM 1268 CG GLU A 80 16.731 -4.205 7.668 1.00 0.00 C ATOM 1269 CD GLU A 80 15.310 -4.334 8.173 1.00 0.00 C ATOM 1270 OE1 GLU A 80 14.665 -5.351 7.880 1.00 0.00 O ATOM 1271 OE2 GLU A 80 14.845 -3.423 8.895 1.00 0.00 O ATOM 0 H GLU A 80 17.834 -3.379 4.077 1.00 0.00 H new ATOM 0 HA GLU A 80 16.488 -5.495 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.873 -3.270 6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.242 -2.650 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.186 -5.195 7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.308 -3.614 8.380 1.00 0.00 H new ATOM 1278 N VAL A 81 14.661 -3.056 4.164 1.00 0.00 N ATOM 1279 CA VAL A 81 13.328 -2.679 3.705 1.00 0.00 C ATOM 1280 C VAL A 81 12.771 -3.680 2.689 1.00 0.00 C ATOM 1281 O VAL A 81 11.629 -4.127 2.805 1.00 0.00 O ATOM 1282 CB VAL A 81 13.366 -1.269 3.091 1.00 0.00 C ATOM 1283 CG1 VAL A 81 12.049 -0.911 2.424 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.707 -0.264 4.168 1.00 0.00 C ATOM 0 H VAL A 81 15.376 -2.354 3.974 1.00 0.00 H new ATOM 0 HA VAL A 81 12.664 -2.684 4.570 1.00 0.00 H new ATOM 0 HB VAL A 81 14.133 -1.250 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.115 0.092 2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.838 -1.626 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.247 -0.942 3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.735 0.737 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.951 -0.300 4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.682 -0.503 4.593 1.00 0.00 H new ATOM 1294 N ARG A 82 13.587 -4.024 1.696 1.00 0.00 N ATOM 1295 CA ARG A 82 13.217 -4.997 0.675 1.00 0.00 C ATOM 1296 C ARG A 82 12.743 -6.303 1.302 1.00 0.00 C ATOM 1297 O ARG A 82 11.771 -6.905 0.847 1.00 0.00 O ATOM 1298 CB ARG A 82 14.417 -5.269 -0.225 1.00 0.00 C ATOM 1299 CG ARG A 82 14.079 -6.082 -1.455 1.00 0.00 C ATOM 1300 CD ARG A 82 15.334 -6.447 -2.221 1.00 0.00 C ATOM 1301 NE ARG A 82 16.227 -7.288 -1.428 1.00 0.00 N ATOM 1302 CZ ARG A 82 17.553 -7.304 -1.552 1.00 0.00 C ATOM 1303 NH1 ARG A 82 18.155 -6.514 -2.435 1.00 0.00 N ATOM 1304 NH2 ARG A 82 18.273 -8.109 -0.786 1.00 0.00 N ATOM 0 H ARG A 82 14.523 -3.636 1.578 1.00 0.00 H new ATOM 0 HA ARG A 82 12.396 -4.583 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.850 -4.318 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.180 -5.795 0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.549 -6.989 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.407 -5.514 -2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.061 -6.969 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.857 -5.538 -2.516 1.00 0.00 H new ATOM 0 HE ARG A 82 15.807 -7.905 -0.732 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.601 -5.891 -3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.171 -6.531 -2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.812 -8.713 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.289 -8.125 -0.877 1.00 0.00 H new ATOM 1318 N THR A 83 13.425 -6.718 2.358 1.00 0.00 N ATOM 1319 CA THR A 83 13.142 -7.982 3.013 1.00 0.00 C ATOM 1320 C THR A 83 11.748 -7.991 3.650 1.00 0.00 C ATOM 1321 O THR A 83 10.929 -8.866 3.357 1.00 0.00 O ATOM 1322 CB THR A 83 14.207 -8.276 4.078 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.491 -8.419 3.452 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.866 -9.530 4.863 1.00 0.00 C ATOM 0 H THR A 83 14.187 -6.189 2.783 1.00 0.00 H new ATOM 0 HA THR A 83 13.166 -8.761 2.251 1.00 0.00 H new ATOM 0 HB THR A 83 14.235 -7.440 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.829 -7.536 3.193 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.638 -9.713 5.610 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.905 -9.398 5.360 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.810 -10.381 4.184 1.00 0.00 H new ATOM 1332 N GLU A 84 11.477 -7.020 4.517 1.00 0.00 N ATOM 1333 CA GLU A 84 10.185 -6.945 5.185 1.00 0.00 C ATOM 1334 C GLU A 84 9.035 -6.721 4.197 1.00 0.00 C ATOM 1335 O GLU A 84 7.901 -7.124 4.464 1.00 0.00 O ATOM 1336 CB GLU A 84 10.188 -5.880 6.287 1.00 0.00 C ATOM 1337 CG GLU A 84 10.980 -4.626 5.964 1.00 0.00 C ATOM 1338 CD GLU A 84 11.139 -3.722 7.172 1.00 0.00 C ATOM 1339 OE1 GLU A 84 11.380 -2.509 6.997 1.00 0.00 O ATOM 1340 OE2 GLU A 84 11.014 -4.226 8.315 1.00 0.00 O ATOM 0 H GLU A 84 12.131 -6.280 4.771 1.00 0.00 H new ATOM 0 HA GLU A 84 10.015 -7.913 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.157 -5.596 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.592 -6.322 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.965 -4.906 5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.480 -4.078 5.165 1.00 0.00 H new ATOM 1347 N VAL A 85 9.319 -6.085 3.062 1.00 0.00 N ATOM 1348 CA VAL A 85 8.342 -5.991 1.983 1.00 0.00 C ATOM 1349 C VAL A 85 8.029 -7.377 1.419 1.00 0.00 C ATOM 1350 O VAL A 85 6.866 -7.761 1.297 1.00 0.00 O ATOM 1351 CB VAL A 85 8.844 -5.081 0.843 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.019 -5.287 -0.418 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.803 -3.628 1.277 1.00 0.00 C ATOM 0 H VAL A 85 10.211 -5.631 2.868 1.00 0.00 H new ATOM 0 HA VAL A 85 7.437 -5.554 2.405 1.00 0.00 H new ATOM 0 HB VAL A 85 9.876 -5.349 0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.392 -4.635 -1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.098 -6.326 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.975 -5.048 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.160 -2.995 0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.779 -3.352 1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.441 -3.491 2.150 1.00 0.00 H new ATOM 1363 N LEU A 86 9.080 -8.127 1.093 1.00 0.00 N ATOM 1364 CA LEU A 86 8.943 -9.461 0.512 1.00 0.00 C ATOM 1365 C LEU A 86 8.144 -10.393 1.417 1.00 0.00 C ATOM 1366 O LEU A 86 7.443 -11.283 0.937 1.00 0.00 O ATOM 1367 CB LEU A 86 10.320 -10.063 0.238 1.00 0.00 C ATOM 1368 CG LEU A 86 11.101 -9.401 -0.889 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.557 -9.821 -0.834 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.492 -9.761 -2.232 1.00 0.00 C ATOM 0 H LEU A 86 10.047 -7.829 1.223 1.00 0.00 H new ATOM 0 HA LEU A 86 8.398 -9.354 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.912 -10.007 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.197 -11.120 0.002 1.00 0.00 H new ATOM 0 HG LEU A 86 11.049 -8.319 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.105 -9.341 -1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.986 -9.521 0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.628 -10.904 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.060 -9.281 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.520 -10.842 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.458 -9.418 -2.266 1.00 0.00 H new ATOM 1382 N LYS A 87 8.239 -10.178 2.726 1.00 0.00 N ATOM 1383 CA LYS A 87 7.490 -10.985 3.690 1.00 0.00 C ATOM 1384 C LYS A 87 5.992 -10.725 3.562 1.00 0.00 C ATOM 1385 O LYS A 87 5.166 -11.530 3.993 1.00 0.00 O ATOM 1386 CB LYS A 87 7.945 -10.683 5.119 1.00 0.00 C ATOM 1387 CG LYS A 87 9.338 -11.195 5.444 1.00 0.00 C ATOM 1388 CD LYS A 87 9.725 -10.880 6.878 1.00 0.00 C ATOM 1389 CE LYS A 87 11.104 -11.419 7.213 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.502 -11.098 8.607 1.00 0.00 N ATOM 0 H LYS A 87 8.824 -9.455 3.145 1.00 0.00 H new ATOM 0 HA LYS A 87 7.687 -12.035 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.919 -9.605 5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.234 -11.125 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.378 -12.272 5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.061 -10.745 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.708 -9.801 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.990 -11.311 7.558 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.115 -12.500 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.835 -11.000 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.449 -11.484 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.517 -10.066 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.819 -11.519 9.269 1.00 0.00 H new ATOM 1404 N CYS A 88 5.655 -9.603 2.953 1.00 0.00 N ATOM 1405 CA CYS A 88 4.268 -9.197 2.798 1.00 0.00 C ATOM 1406 C CYS A 88 3.791 -9.419 1.366 1.00 0.00 C ATOM 1407 O CYS A 88 2.604 -9.298 1.066 1.00 0.00 O ATOM 1408 CB CYS A 88 4.114 -7.735 3.203 1.00 0.00 C ATOM 1409 SG CYS A 88 4.102 -7.481 5.008 1.00 0.00 S ATOM 0 H CYS A 88 6.329 -8.950 2.554 1.00 0.00 H new ATOM 0 HA CYS A 88 3.646 -9.811 3.449 1.00 0.00 H new ATOM 0 HB2 CYS A 88 4.929 -7.157 2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.187 -7.345 2.783 1.00 0.00 H new ATOM 1414 N VAL A 89 4.729 -9.740 0.482 1.00 0.00 N ATOM 1415 CA VAL A 89 4.401 -10.053 -0.895 1.00 0.00 C ATOM 1416 C VAL A 89 3.841 -11.465 -0.992 1.00 0.00 C ATOM 1417 O VAL A 89 4.574 -12.451 -0.878 1.00 0.00 O ATOM 1418 CB VAL A 89 5.633 -9.918 -1.814 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.288 -10.330 -3.234 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.167 -8.495 -1.794 1.00 0.00 C ATOM 0 H VAL A 89 5.724 -9.789 0.700 1.00 0.00 H new ATOM 0 HA VAL A 89 3.649 -9.338 -1.228 1.00 0.00 H new ATOM 0 HB VAL A 89 6.410 -10.583 -1.438 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.170 -10.228 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.955 -11.368 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.492 -9.691 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.035 -8.423 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.393 -7.811 -2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.456 -8.229 -0.777 1.00 0.00 H new ATOM 1430 N ASP A 90 2.536 -11.555 -1.183 1.00 0.00 N ATOM 1431 CA ASP A 90 1.863 -12.843 -1.286 1.00 0.00 C ATOM 1432 C ASP A 90 1.528 -13.146 -2.736 1.00 0.00 C ATOM 1433 O ASP A 90 1.668 -12.287 -3.610 1.00 0.00 O ATOM 1434 CB ASP A 90 0.565 -12.868 -0.467 1.00 0.00 C ATOM 1435 CG ASP A 90 0.775 -12.667 1.020 1.00 0.00 C ATOM 1436 OD1 ASP A 90 1.619 -13.375 1.615 1.00 0.00 O ATOM 1437 OD2 ASP A 90 0.070 -11.821 1.608 1.00 0.00 O ATOM 0 H ASP A 90 1.917 -10.749 -1.270 1.00 0.00 H new ATOM 0 HA ASP A 90 2.544 -13.597 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.103 -12.091 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.064 -13.822 -0.628 1.00 0.00 H new ATOM 1442 N LYS A 91 1.093 -14.370 -2.983 1.00 0.00 N ATOM 1443 CA LYS A 91 0.674 -14.786 -4.313 1.00 0.00 C ATOM 1444 C LYS A 91 -0.816 -14.533 -4.479 1.00 0.00 C ATOM 1445 O LYS A 91 -1.564 -14.523 -3.498 1.00 0.00 O ATOM 1446 CB LYS A 91 0.979 -16.268 -4.537 1.00 0.00 C ATOM 1447 CG LYS A 91 2.395 -16.654 -4.151 1.00 0.00 C ATOM 1448 CD LYS A 91 2.672 -18.130 -4.395 1.00 0.00 C ATOM 1449 CE LYS A 91 1.836 -19.024 -3.493 1.00 0.00 C ATOM 1450 NZ LYS A 91 2.203 -20.456 -3.643 1.00 0.00 N ATOM 0 H LYS A 91 1.020 -15.099 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 91 1.227 -14.206 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.276 -16.868 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.817 -16.511 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.103 -16.053 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.559 -16.424 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.463 -18.370 -5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.730 -18.333 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.971 -18.721 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.780 -18.893 -3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.612 -21.034 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.050 -20.752 -4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.204 -20.586 -3.394 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.238 -14.332 -5.719 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.627 -14.004 -6.022 1.00 0.00 C ATOM 1466 C ASN A 92 -3.499 -15.254 -5.996 1.00 0.00 C ATOM 1467 O ASN A 92 -4.053 -15.675 -7.011 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.723 -13.315 -7.384 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.119 -12.797 -7.698 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -4.930 -12.556 -6.799 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.394 -12.601 -8.979 1.00 0.00 N ATOM 0 H ASN A 92 -0.634 -14.391 -6.539 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.992 -13.320 -5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.019 -12.483 -7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.420 -14.017 -8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.306 -12.237 -9.255 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.694 -12.814 -9.689 1.00 0.00 H new ATOM 1478 N THR A 93 -3.610 -15.848 -4.822 1.00 0.00 N ATOM 1479 CA THR A 93 -4.468 -17.000 -4.626 1.00 0.00 C ATOM 1480 C THR A 93 -5.915 -16.557 -4.445 1.00 0.00 C ATOM 1481 O THR A 93 -6.845 -17.356 -4.559 1.00 0.00 O ATOM 1482 CB THR A 93 -4.017 -17.815 -3.400 1.00 0.00 C ATOM 1483 OG1 THR A 93 -3.942 -16.965 -2.246 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.661 -18.450 -3.649 1.00 0.00 C ATOM 0 H THR A 93 -3.112 -15.548 -3.984 1.00 0.00 H new ATOM 0 HA THR A 93 -4.395 -17.631 -5.512 1.00 0.00 H new ATOM 0 HB THR A 93 -4.749 -18.604 -3.225 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.656 -17.491 -1.470 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.360 -19.021 -2.771 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.723 -19.115 -4.511 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.925 -17.671 -3.844 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.097 -15.272 -4.173 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.425 -14.707 -3.964 1.00 0.00 C ATOM 1494 C ASP A 94 -8.142 -14.504 -5.287 1.00 0.00 C ATOM 1495 O ASP A 94 -9.373 -14.462 -5.343 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.334 -13.366 -3.234 1.00 0.00 C ATOM 1497 CG ASP A 94 -6.667 -13.487 -1.885 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -5.424 -13.431 -1.828 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -7.382 -13.647 -0.873 1.00 0.00 O ATOM 0 H ASP A 94 -5.337 -14.597 -4.091 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.989 -15.413 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.778 -12.658 -3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.336 -12.957 -3.105 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.341 -14.372 -6.346 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.832 -14.114 -7.694 1.00 0.00 C ATOM 1506 C ASN A 95 -8.624 -12.807 -7.722 1.00 0.00 C ATOM 1507 O ASN A 95 -9.586 -12.649 -8.475 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.672 -15.294 -8.196 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.840 -15.305 -9.705 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.962 -15.769 -10.431 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -9.977 -14.835 -10.185 1.00 0.00 N ATOM 0 H ASN A 95 -6.325 -14.442 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.982 -14.007 -8.368 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.203 -16.226 -7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.655 -15.258 -7.727 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.151 -14.849 -11.190 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.681 -14.458 -9.551 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.201 -11.868 -6.885 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.875 -10.584 -6.755 1.00 0.00 C ATOM 1520 C ASN A 96 -7.862 -9.508 -6.377 1.00 0.00 C ATOM 1521 O ASN A 96 -7.242 -9.574 -5.314 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.981 -10.686 -5.696 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.616 -9.347 -5.366 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.141 -8.619 -4.498 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.705 -9.020 -6.042 1.00 0.00 N ATOM 0 H ASN A 96 -7.386 -11.975 -6.281 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.331 -10.311 -7.707 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.753 -11.370 -6.050 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.565 -11.118 -4.786 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.179 -8.138 -5.849 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -12.070 -9.650 -6.756 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.704 -8.525 -7.255 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.685 -7.491 -7.094 1.00 0.00 C ATOM 1534 C ALA A 97 -6.924 -6.640 -5.854 1.00 0.00 C ATOM 1535 O ALA A 97 -5.972 -6.194 -5.211 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.632 -6.607 -8.330 1.00 0.00 C ATOM 0 H ALA A 97 -8.274 -8.421 -8.094 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.727 -7.996 -6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.868 -5.841 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.388 -7.214 -9.202 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.601 -6.131 -8.479 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.189 -6.410 -5.516 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.522 -5.593 -4.353 1.00 0.00 C ATOM 1544 C CYS A 98 -7.998 -6.237 -3.072 1.00 0.00 C ATOM 1545 O CYS A 98 -7.353 -5.577 -2.258 1.00 0.00 O ATOM 1546 CB CYS A 98 -10.036 -5.359 -4.255 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.757 -4.561 -5.729 1.00 0.00 S ATOM 0 H CYS A 98 -8.994 -6.774 -6.025 1.00 0.00 H new ATOM 0 HA CYS A 98 -8.037 -4.625 -4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.532 -6.316 -4.093 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -10.243 -4.741 -3.381 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.237 -7.531 -2.917 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.852 -8.234 -1.701 1.00 0.00 C ATOM 1554 C HIS A 99 -6.347 -8.494 -1.694 1.00 0.00 C ATOM 1555 O HIS A 99 -5.719 -8.559 -0.637 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.624 -9.554 -1.600 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.739 -10.093 -0.208 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.940 -10.178 0.465 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -7.806 -10.602 0.630 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -9.738 -10.713 1.653 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.453 -10.981 1.779 1.00 0.00 N ATOM 0 H HIS A 99 -8.695 -8.115 -3.617 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.097 -7.615 -0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.625 -9.408 -2.005 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.132 -10.298 -2.226 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.748 -10.693 0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.497 -10.900 2.398 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -8.012 -11.401 2.597 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.779 -8.622 -2.887 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.353 -8.900 -3.047 1.00 0.00 C ATOM 1572 C TRP A 100 -3.517 -7.717 -2.564 1.00 0.00 C ATOM 1573 O TRP A 100 -2.669 -7.859 -1.680 1.00 0.00 O ATOM 1574 CB TRP A 100 -4.049 -9.207 -4.524 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.644 -9.671 -4.792 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.697 -10.029 -3.875 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -2.042 -9.851 -6.079 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.541 -10.404 -4.515 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.729 -10.309 -5.868 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.488 -9.665 -7.392 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.141 -10.587 -6.920 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.626 -9.943 -8.435 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.325 -10.399 -8.196 1.00 0.00 C ATOM 0 H TRP A 100 -6.288 -8.537 -3.767 1.00 0.00 H new ATOM 0 HA TRP A 100 -4.092 -9.768 -2.442 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.743 -9.972 -4.872 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.240 -8.311 -5.114 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.837 -10.019 -2.804 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.319 -10.705 -4.056 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.489 -9.310 -7.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.146 -10.938 -6.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.962 -9.806 -9.452 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.325 -10.607 -9.033 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.780 -6.547 -3.136 1.00 0.00 N ATOM 1595 CA ALA A 101 -3.030 -5.343 -2.805 1.00 0.00 C ATOM 1596 C ALA A 101 -3.272 -4.920 -1.366 1.00 0.00 C ATOM 1597 O ALA A 101 -2.359 -4.453 -0.681 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.410 -4.220 -3.752 1.00 0.00 C ATOM 0 H ALA A 101 -4.511 -6.408 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.968 -5.563 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.845 -3.323 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.182 -4.515 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.477 -4.014 -3.663 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.504 -5.099 -0.906 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.879 -4.687 0.435 1.00 0.00 C ATOM 1606 C PHE A 102 -4.133 -5.495 1.490 1.00 0.00 C ATOM 1607 O PHE A 102 -3.767 -4.963 2.536 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.387 -4.811 0.646 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.835 -4.391 2.022 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.805 -3.056 2.392 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.283 -5.327 2.944 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.212 -2.660 3.652 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.692 -4.936 4.205 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.656 -3.601 4.560 1.00 0.00 C ATOM 0 H PHE A 102 -5.258 -5.527 -1.444 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.599 -3.639 0.544 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.902 -4.202 -0.097 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.687 -5.845 0.474 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.459 -2.315 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.312 -6.372 2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.183 -1.616 3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -8.040 -5.674 4.913 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.974 -3.294 5.545 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.889 -6.773 1.212 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.224 -7.629 2.181 1.00 0.00 C ATOM 1626 C ARG A 103 -1.739 -7.300 2.245 1.00 0.00 C ATOM 1627 O ARG A 103 -1.123 -7.405 3.302 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.429 -9.105 1.857 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.939 -10.012 2.970 1.00 0.00 C ATOM 1630 CD ARG A 103 -3.262 -11.467 2.701 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.722 -11.919 1.422 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.471 -12.446 0.453 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -4.771 -12.634 0.641 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -2.923 -12.797 -0.703 1.00 0.00 N ATOM 0 H ARG A 103 -4.139 -7.231 0.335 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.671 -7.439 3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.488 -9.292 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.902 -9.349 0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.861 -9.895 3.085 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.395 -9.708 3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.857 -12.083 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.343 -11.606 2.708 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.719 -11.827 1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.201 -12.375 1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.341 -13.037 -0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.923 -12.664 -0.855 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.502 -13.200 -1.440 1.00 0.00 H new ATOM 1648 N GLY A 104 -1.174 -6.892 1.113 1.00 0.00 N ATOM 1649 CA GLY A 104 0.212 -6.455 1.099 1.00 0.00 C ATOM 1650 C GLY A 104 0.409 -5.226 1.964 1.00 0.00 C ATOM 1651 O GLY A 104 1.349 -5.148 2.758 1.00 0.00 O ATOM 0 H GLY A 104 -1.647 -6.856 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.853 -7.261 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.516 -6.235 0.076 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.510 -4.276 1.823 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.473 -3.038 2.584 1.00 0.00 C ATOM 1657 C PHE A 105 -0.742 -3.308 4.063 1.00 0.00 C ATOM 1658 O PHE A 105 -0.003 -2.846 4.929 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.497 -2.057 2.006 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.735 -0.837 2.850 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.670 -0.082 3.312 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -3.024 -0.436 3.169 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.885 1.046 4.077 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.241 0.690 3.936 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.170 1.432 4.390 1.00 0.00 C ATOM 0 H PHE A 105 -1.298 -4.345 1.179 1.00 0.00 H new ATOM 0 HA PHE A 105 0.520 -2.595 2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.161 -1.740 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.444 -2.579 1.868 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.340 -0.379 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.866 -1.011 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.046 1.627 4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.249 0.991 4.181 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.339 2.314 4.990 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.792 -4.077 4.331 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.187 -4.436 5.694 1.00 0.00 C ATOM 1677 C LYS A 106 -1.031 -5.112 6.421 1.00 0.00 C ATOM 1678 O LYS A 106 -0.678 -4.731 7.536 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.383 -5.395 5.673 1.00 0.00 C ATOM 1680 CG LYS A 106 -4.298 -5.302 6.887 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.899 -3.911 7.078 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.845 -3.880 8.274 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.364 -2.514 8.556 1.00 0.00 N ATOM 0 H LYS A 106 -2.396 -4.471 3.610 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.463 -3.519 6.215 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.971 -5.200 4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.010 -6.416 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.104 -6.029 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.736 -5.574 7.780 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.100 -3.183 7.223 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.438 -3.617 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.683 -4.552 8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.324 -4.256 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.536 -2.412 9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.665 -1.807 8.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.254 -2.367 8.038 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.451 -6.108 5.768 1.00 0.00 N ATOM 1698 CA CYS A 107 0.651 -6.879 6.325 1.00 0.00 C ATOM 1699 C CYS A 107 1.822 -5.984 6.718 1.00 0.00 C ATOM 1700 O CYS A 107 2.386 -6.122 7.807 1.00 0.00 O ATOM 1701 CB CYS A 107 1.097 -7.937 5.305 1.00 0.00 C ATOM 1702 SG CYS A 107 2.679 -8.761 5.688 1.00 0.00 S ATOM 0 H CYS A 107 -0.732 -6.405 4.834 1.00 0.00 H new ATOM 0 HA CYS A 107 0.304 -7.371 7.234 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.319 -8.696 5.228 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.179 -7.464 4.326 1.00 0.00 H new ATOM 1707 N PHE A 108 2.173 -5.053 5.841 1.00 0.00 N ATOM 1708 CA PHE A 108 3.341 -4.215 6.056 1.00 0.00 C ATOM 1709 C PHE A 108 3.068 -3.154 7.121 1.00 0.00 C ATOM 1710 O PHE A 108 3.874 -2.962 8.029 1.00 0.00 O ATOM 1711 CB PHE A 108 3.772 -3.566 4.741 1.00 0.00 C ATOM 1712 CG PHE A 108 5.170 -3.008 4.777 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.261 -3.831 4.531 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.397 -1.670 5.056 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.546 -3.328 4.563 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.681 -1.163 5.088 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.757 -1.993 4.841 1.00 0.00 C ATOM 0 H PHE A 108 1.666 -4.861 4.977 1.00 0.00 H new ATOM 0 HA PHE A 108 4.154 -4.845 6.417 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.704 -4.304 3.941 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.075 -2.764 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.102 -4.877 4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.560 -1.016 5.251 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.386 -3.979 4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.844 -0.118 5.306 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.762 -1.598 4.865 1.00 0.00 H new ATOM 1727 N GLN A 109 1.919 -2.487 7.030 1.00 0.00 N ATOM 1728 CA GLN A 109 1.570 -1.424 7.972 1.00 0.00 C ATOM 1729 C GLN A 109 1.330 -1.982 9.373 1.00 0.00 C ATOM 1730 O GLN A 109 1.339 -1.244 10.356 1.00 0.00 O ATOM 1731 CB GLN A 109 0.337 -0.651 7.487 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.963 -1.441 7.513 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.891 -1.013 8.637 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.904 0.150 9.042 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.667 -1.950 9.156 1.00 0.00 N ATOM 0 H GLN A 109 1.214 -2.663 6.314 1.00 0.00 H new ATOM 0 HA GLN A 109 2.414 -0.736 8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.217 0.239 8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.518 -0.309 6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.476 -1.319 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.736 -2.502 7.620 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.628 -2.903 8.794 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.304 -1.720 9.918 1.00 0.00 H new ATOM 1744 N LYS A 110 1.127 -3.292 9.453 1.00 0.00 N ATOM 1745 CA LYS A 110 0.899 -3.964 10.719 1.00 0.00 C ATOM 1746 C LYS A 110 2.146 -3.904 11.597 1.00 0.00 C ATOM 1747 O LYS A 110 2.054 -3.873 12.823 1.00 0.00 O ATOM 1748 CB LYS A 110 0.506 -5.415 10.449 1.00 0.00 C ATOM 1749 CG LYS A 110 0.161 -6.209 11.689 1.00 0.00 C ATOM 1750 CD LYS A 110 -1.191 -5.812 12.260 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.610 -6.738 13.391 1.00 0.00 C ATOM 1752 NZ LYS A 110 -1.779 -8.143 12.934 1.00 0.00 N ATOM 0 H LYS A 110 1.116 -3.913 8.644 1.00 0.00 H new ATOM 0 HA LYS A 110 0.093 -3.460 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.350 -5.427 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.327 -5.911 9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.155 -7.272 11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.933 -6.057 12.444 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.146 -4.786 12.626 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.942 -5.836 11.471 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.862 -6.703 14.183 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.546 -6.383 13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.344 -8.669 13.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.266 -8.153 12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.845 -8.591 12.836 1.00 0.00 H new ATOM 1766 N ASN A 111 3.310 -3.867 10.963 1.00 0.00 N ATOM 1767 CA ASN A 111 4.570 -3.882 11.697 1.00 0.00 C ATOM 1768 C ASN A 111 5.405 -2.651 11.377 1.00 0.00 C ATOM 1769 O ASN A 111 6.235 -2.226 12.179 1.00 0.00 O ATOM 1770 CB ASN A 111 5.371 -5.142 11.362 1.00 0.00 C ATOM 1771 CG ASN A 111 4.629 -6.421 11.706 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.744 -6.939 12.817 1.00 0.00 O ATOM 1773 ND2 ASN A 111 3.868 -6.947 10.755 1.00 0.00 N ATOM 0 H ASN A 111 3.409 -3.827 9.949 1.00 0.00 H new ATOM 0 HA ASN A 111 4.332 -3.877 12.761 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.611 -5.142 10.299 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.317 -5.120 11.903 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.353 -7.810 10.932 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.798 -6.489 9.846 1.00 0.00 H new ATOM 1780 N ASN A 112 5.178 -2.071 10.209 1.00 0.00 N ATOM 1781 CA ASN A 112 6.016 -0.984 9.725 1.00 0.00 C ATOM 1782 C ASN A 112 5.181 0.162 9.167 1.00 0.00 C ATOM 1783 O ASN A 112 5.307 0.523 7.999 1.00 0.00 O ATOM 1784 CB ASN A 112 6.964 -1.504 8.644 1.00 0.00 C ATOM 1785 CG ASN A 112 8.042 -2.417 9.195 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.626 -2.152 10.247 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.293 -3.516 8.507 1.00 0.00 N ATOM 0 H ASN A 112 4.421 -2.334 9.578 1.00 0.00 H new ATOM 0 HA ASN A 112 6.590 -0.602 10.569 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.388 -2.043 7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.433 -0.658 8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.991 -4.180 8.843 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.789 -3.701 7.640 1.00 0.00 H new ATOM 1794 N LEU A 113 4.340 0.751 10.006 1.00 0.00 N ATOM 1795 CA LEU A 113 3.491 1.852 9.566 1.00 0.00 C ATOM 1796 C LEU A 113 4.235 3.182 9.668 1.00 0.00 C ATOM 1797 O LEU A 113 4.008 4.096 8.873 1.00 0.00 O ATOM 1798 CB LEU A 113 2.190 1.896 10.372 1.00 0.00 C ATOM 1799 CG LEU A 113 1.289 3.099 10.100 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.784 3.072 8.667 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.125 3.110 11.075 1.00 0.00 C ATOM 0 H LEU A 113 4.227 0.489 10.985 1.00 0.00 H new ATOM 0 HA LEU A 113 3.234 1.683 8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.625 0.987 10.167 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.440 1.883 11.433 1.00 0.00 H new ATOM 0 HG LEU A 113 1.870 4.010 10.240 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.144 3.936 8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.631 3.102 7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.214 2.158 8.499 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.511 3.972 10.872 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.456 2.195 10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.505 3.171 12.095 1.00 0.00 H new ATOM 1813 N SER A 114 5.138 3.280 10.635 1.00 0.00 N ATOM 1814 CA SER A 114 5.930 4.491 10.819 1.00 0.00 C ATOM 1815 C SER A 114 6.826 4.738 9.607 1.00 0.00 C ATOM 1816 O SER A 114 7.082 5.885 9.235 1.00 0.00 O ATOM 1817 CB SER A 114 6.779 4.393 12.089 1.00 0.00 C ATOM 1818 OG SER A 114 5.964 4.242 13.240 1.00 0.00 O ATOM 0 H SER A 114 5.341 2.537 11.304 1.00 0.00 H new ATOM 0 HA SER A 114 5.244 5.331 10.922 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.461 3.546 12.009 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.393 5.288 12.189 1.00 0.00 H new ATOM 0 HG SER A 114 6.531 4.180 14.037 1.00 0.00 H new ATOM 1824 N LEU A 115 7.288 3.656 8.984 1.00 0.00 N ATOM 1825 CA LEU A 115 8.106 3.756 7.783 1.00 0.00 C ATOM 1826 C LEU A 115 7.269 4.277 6.626 1.00 0.00 C ATOM 1827 O LEU A 115 7.742 5.048 5.797 1.00 0.00 O ATOM 1828 CB LEU A 115 8.694 2.395 7.420 1.00 0.00 C ATOM 1829 CG LEU A 115 9.639 2.395 6.219 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.866 3.233 6.522 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.036 0.975 5.847 1.00 0.00 C ATOM 0 H LEU A 115 7.108 2.701 9.293 1.00 0.00 H new ATOM 0 HA LEU A 115 8.923 4.450 7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.231 2.007 8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.875 1.705 7.218 1.00 0.00 H new ATOM 0 HG LEU A 115 9.119 2.833 5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.533 3.226 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.563 4.257 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.386 2.818 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.709 0.998 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.540 0.505 6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.144 0.403 5.593 1.00 0.00 H new ATOM 1843 N ILE A 116 6.012 3.855 6.591 1.00 0.00 N ATOM 1844 CA ILE A 116 5.092 4.265 5.547 1.00 0.00 C ATOM 1845 C ILE A 116 4.841 5.768 5.624 1.00 0.00 C ATOM 1846 O ILE A 116 4.887 6.472 4.616 1.00 0.00 O ATOM 1847 CB ILE A 116 3.755 3.501 5.657 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.994 1.995 5.507 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.768 3.996 4.613 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.731 1.169 5.587 1.00 0.00 C ATOM 0 H ILE A 116 5.607 3.223 7.282 1.00 0.00 H new ATOM 0 HA ILE A 116 5.545 4.028 4.585 1.00 0.00 H new ATOM 0 HB ILE A 116 3.327 3.688 6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.481 1.807 4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.683 1.666 6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.832 3.445 4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.580 5.059 4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.183 3.839 3.617 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.979 0.114 5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.254 1.327 6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.049 1.470 4.792 1.00 0.00 H new ATOM 1862 N LYS A 117 4.619 6.256 6.836 1.00 0.00 N ATOM 1863 CA LYS A 117 4.399 7.678 7.066 1.00 0.00 C ATOM 1864 C LYS A 117 5.653 8.481 6.733 1.00 0.00 C ATOM 1865 O LYS A 117 5.573 9.616 6.263 1.00 0.00 O ATOM 1866 CB LYS A 117 3.993 7.926 8.520 1.00 0.00 C ATOM 1867 CG LYS A 117 2.592 7.428 8.857 1.00 0.00 C ATOM 1868 CD LYS A 117 2.244 7.675 10.320 1.00 0.00 C ATOM 1869 CE LYS A 117 0.812 7.266 10.635 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.463 7.513 12.060 1.00 0.00 N ATOM 0 H LYS A 117 4.586 5.685 7.680 1.00 0.00 H new ATOM 0 HA LYS A 117 3.592 8.006 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.711 7.436 9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.049 8.995 8.727 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.864 7.930 8.220 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.523 6.362 8.641 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.930 7.117 10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.381 8.731 10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.127 7.820 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.678 6.209 10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.520 7.221 12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.100 6.965 12.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.565 8.526 12.272 1.00 0.00 H new ATOM 1884 N ALA A 118 6.808 7.877 6.977 1.00 0.00 N ATOM 1885 CA ALA A 118 8.088 8.531 6.740 1.00 0.00 C ATOM 1886 C ALA A 118 8.473 8.527 5.263 1.00 0.00 C ATOM 1887 O ALA A 118 9.112 9.460 4.782 1.00 0.00 O ATOM 1888 CB ALA A 118 9.163 7.848 7.557 1.00 0.00 C ATOM 0 H ALA A 118 6.885 6.928 7.342 1.00 0.00 H new ATOM 0 HA ALA A 118 7.991 9.573 7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.121 8.337 7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.912 7.914 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.231 6.800 7.265 1.00 0.00 H new ATOM 1894 N SER A 119 8.091 7.475 4.553 1.00 0.00 N ATOM 1895 CA SER A 119 8.465 7.324 3.151 1.00 0.00 C ATOM 1896 C SER A 119 7.860 8.426 2.279 1.00 0.00 C ATOM 1897 O SER A 119 8.465 8.852 1.295 1.00 0.00 O ATOM 1898 CB SER A 119 8.053 5.944 2.636 1.00 0.00 C ATOM 1899 OG SER A 119 6.646 5.760 2.681 1.00 0.00 O ATOM 0 H SER A 119 7.523 6.713 4.923 1.00 0.00 H new ATOM 0 HA SER A 119 9.549 7.416 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.403 5.820 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.539 5.173 3.234 1.00 0.00 H new ATOM 0 HG SER A 119 6.291 6.155 3.504 1.00 0.00 H new ATOM 1905 N ILE A 120 6.672 8.888 2.651 1.00 0.00 N ATOM 1906 CA ILE A 120 6.011 9.966 1.925 1.00 0.00 C ATOM 1907 C ILE A 120 6.381 11.320 2.515 1.00 0.00 C ATOM 1908 O ILE A 120 5.908 12.364 2.060 1.00 0.00 O ATOM 1909 CB ILE A 120 4.478 9.813 1.949 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.976 9.721 3.390 1.00 0.00 C ATOM 1911 CG2 ILE A 120 4.056 8.590 1.156 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.476 9.840 3.515 1.00 0.00 C ATOM 0 H ILE A 120 6.147 8.533 3.450 1.00 0.00 H new ATOM 0 HA ILE A 120 6.353 9.908 0.892 1.00 0.00 H new ATOM 0 HB ILE A 120 4.032 10.693 1.485 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.294 8.770 3.817 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.445 10.508 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.970 8.496 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.386 8.695 0.122 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.508 7.699 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.191 9.766 4.565 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.153 10.803 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.999 9.037 2.952 1.00 0.00 H new ATOM 1924 N LYS A 121 7.211 11.291 3.546 1.00 0.00 N ATOM 1925 CA LYS A 121 7.651 12.501 4.209 1.00 0.00 C ATOM 1926 C LYS A 121 8.934 13.023 3.575 1.00 0.00 C ATOM 1927 O LYS A 121 9.944 12.320 3.514 1.00 0.00 O ATOM 1928 CB LYS A 121 7.863 12.227 5.696 1.00 0.00 C ATOM 1929 CG LYS A 121 8.267 13.451 6.500 1.00 0.00 C ATOM 1930 CD LYS A 121 8.375 13.128 7.982 1.00 0.00 C ATOM 1931 CE LYS A 121 9.421 12.060 8.255 1.00 0.00 C ATOM 1932 NZ LYS A 121 9.472 11.689 9.692 1.00 0.00 N ATOM 0 H LYS A 121 7.594 10.433 3.942 1.00 0.00 H new ATOM 0 HA LYS A 121 6.882 13.265 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.943 11.818 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.631 11.462 5.808 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.223 13.828 6.137 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.535 14.244 6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.628 14.034 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.407 12.790 8.351 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.200 11.175 7.659 1.00 0.00 H new ATOM 0 HE3 LYS A 121 10.400 12.421 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.198 10.958 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.708 12.528 10.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.546 11.320 9.988 1.00 0.00 H new