USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 SER OG : rot -110:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -175:sc= 1.12 (180deg=1.06) USER MOD Single : A 11 GLN : amide:sc= -0.861 X(o=-0.86,f=-1.4) USER MOD Single : A 13 TYR OH : rot -168:sc= 0.356 USER MOD Single : A 14 MET CE :methyl -178:sc= -7.99! (180deg=-8.26!) USER MOD Single : A 15 MET CE :methyl -136:sc= -0.475 (180deg=-1.78) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 25:sc= 0.0293 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.186 (180deg=0.0875) USER MOD Single : A 34 ASN : amide:sc= -0.698 K(o=-0.7,f=-3.7) USER MOD Single : A 37 SER OG : rot -99:sc= 1.18 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0185) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= -0.215 (180deg=-1.46!) USER MOD Single : A 56 ASN : amide:sc= -5.78! C(o=-5.8!,f=-5.7!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 149:sc= -0.261 (180deg=-1.63!) USER MOD Single : A 69 LYS NZ :NH3+ -166:sc=-0.00554 (180deg=-0.134) USER MOD Single : A 70 CYS SG : rot 170:sc= -0.0604 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -136:sc= 0.34 (180deg=-0.0129) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -124:sc= -0.0547 (180deg=-0.786) USER MOD Single : A 92 GLN : amide:sc= -1.23 K(o=-1.2,f=-3!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.933 F(o=-2.4!,f=-0.93) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -11.553 8.616 -1.935 1.00 0.00 N ATOM 67 CA VAL A 8 -10.209 8.609 -1.370 1.00 0.00 C ATOM 68 C VAL A 8 -10.224 9.046 0.090 1.00 0.00 C ATOM 69 O VAL A 8 -10.724 10.122 0.422 1.00 0.00 O ATOM 70 CB VAL A 8 -9.262 9.531 -2.161 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.941 10.857 -2.468 1.00 0.00 C ATOM 72 CG2 VAL A 8 -7.968 9.751 -1.392 1.00 0.00 C ATOM 0 HA VAL A 8 -9.844 7.584 -1.436 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.018 9.047 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.257 11.495 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.837 10.678 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.216 11.349 -1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.311 10.405 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.190 10.213 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.474 8.793 -1.229 1.00 0.00 H new ATOM 82 N LEU A 9 -9.674 8.206 0.959 1.00 0.00 N ATOM 83 CA LEU A 9 -9.623 8.505 2.386 1.00 0.00 C ATOM 84 C LEU A 9 -8.416 9.376 2.717 1.00 0.00 C ATOM 85 O LEU A 9 -8.538 10.394 3.400 1.00 0.00 O ATOM 86 CB LEU A 9 -9.570 7.210 3.198 1.00 0.00 C ATOM 87 CG LEU A 9 -10.582 6.132 2.809 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.333 4.856 3.598 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.003 6.629 3.030 1.00 0.00 C ATOM 0 H LEU A 9 -9.257 7.312 0.701 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.527 9.054 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.569 6.789 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.719 7.457 4.249 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.457 5.910 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.063 4.100 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.328 4.489 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.429 5.063 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.709 5.848 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.141 6.880 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.178 7.515 2.419 1.00 0.00 H new ATOM 101 N LYS A 10 -7.249 8.972 2.227 1.00 0.00 N ATOM 102 CA LYS A 10 -6.018 9.716 2.467 1.00 0.00 C ATOM 103 C LYS A 10 -5.325 10.060 1.152 1.00 0.00 C ATOM 104 O LYS A 10 -5.522 9.385 0.142 1.00 0.00 O ATOM 105 CB LYS A 10 -5.073 8.906 3.357 1.00 0.00 C ATOM 106 CG LYS A 10 -4.187 9.764 4.243 1.00 0.00 C ATOM 107 CD LYS A 10 -3.177 8.922 5.005 1.00 0.00 C ATOM 108 CE LYS A 10 -2.422 9.751 6.032 1.00 0.00 C ATOM 109 NZ LYS A 10 -1.646 10.851 5.395 1.00 0.00 N ATOM 0 H LYS A 10 -7.130 8.132 1.660 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.278 10.645 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.662 8.238 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.443 8.278 2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.662 10.499 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.805 10.319 4.948 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.690 8.101 5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.470 8.477 4.304 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.127 10.172 6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.745 9.106 6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.079 11.340 6.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.015 10.455 4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.301 11.527 4.953 1.00 0.00 H new ATOM 123 N GLN A 11 -4.514 11.113 1.174 1.00 0.00 N ATOM 124 CA GLN A 11 -3.792 11.544 -0.017 1.00 0.00 C ATOM 125 C GLN A 11 -2.576 12.385 0.358 1.00 0.00 C ATOM 126 O GLN A 11 -2.662 13.280 1.198 1.00 0.00 O ATOM 127 CB GLN A 11 -4.716 12.345 -0.937 1.00 0.00 C ATOM 128 CG GLN A 11 -5.292 13.592 -0.285 1.00 0.00 C ATOM 129 CD GLN A 11 -5.897 14.550 -1.291 1.00 0.00 C ATOM 130 OE1 GLN A 11 -5.515 15.719 -1.361 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.847 14.060 -2.079 1.00 0.00 N ATOM 0 H GLN A 11 -4.341 11.683 2.002 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.447 10.654 -0.544 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.163 12.635 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.535 11.704 -1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.054 13.300 0.437 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.506 14.103 0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.133 13.085 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.290 14.658 -2.776 1.00 0.00 H new ATOM 140 N GLY A 12 -1.442 12.089 -0.269 1.00 0.00 N ATOM 141 CA GLY A 12 -0.224 12.826 0.013 1.00 0.00 C ATOM 142 C GLY A 12 0.960 12.316 -0.785 1.00 0.00 C ATOM 143 O GLY A 12 0.992 11.153 -1.187 1.00 0.00 O ATOM 0 H GLY A 12 -1.345 11.352 -0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.381 13.881 -0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.002 12.756 1.077 1.00 0.00 H new ATOM 147 N TYR A 13 1.935 13.189 -1.016 1.00 0.00 N ATOM 148 CA TYR A 13 3.125 12.821 -1.774 1.00 0.00 C ATOM 149 C TYR A 13 3.990 11.839 -0.990 1.00 0.00 C ATOM 150 O TYR A 13 4.722 12.228 -0.081 1.00 0.00 O ATOM 151 CB TYR A 13 3.939 14.069 -2.121 1.00 0.00 C ATOM 152 CG TYR A 13 3.447 14.789 -3.356 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.292 14.116 -4.562 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.136 16.143 -3.318 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.843 14.769 -5.693 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.685 16.804 -4.443 1.00 0.00 C ATOM 157 CZ TYR A 13 2.541 16.114 -5.628 1.00 0.00 C ATOM 158 OH TYR A 13 2.092 16.769 -6.753 1.00 0.00 O ATOM 0 H TYR A 13 1.924 14.155 -0.689 1.00 0.00 H new ATOM 0 HA TYR A 13 2.802 12.336 -2.695 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.913 14.756 -1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.981 13.784 -2.268 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.527 13.063 -4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.249 16.688 -2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.729 14.231 -6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.446 17.856 -4.395 1.00 0.00 H new ATOM 0 HH TYR A 13 2.106 17.736 -6.596 1.00 0.00 H new ATOM 168 N MET A 14 3.898 10.563 -1.350 1.00 0.00 N ATOM 169 CA MET A 14 4.673 9.523 -0.682 1.00 0.00 C ATOM 170 C MET A 14 5.749 8.967 -1.609 1.00 0.00 C ATOM 171 O MET A 14 5.554 8.881 -2.820 1.00 0.00 O ATOM 172 CB MET A 14 3.753 8.393 -0.214 1.00 0.00 C ATOM 173 CG MET A 14 2.799 8.807 0.895 1.00 0.00 C ATOM 174 SD MET A 14 2.141 7.397 1.806 1.00 0.00 S ATOM 175 CE MET A 14 1.235 6.551 0.513 1.00 0.00 C ATOM 0 H MET A 14 3.295 10.224 -2.100 1.00 0.00 H new ATOM 0 HA MET A 14 5.160 9.968 0.185 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.174 8.031 -1.064 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.363 7.560 0.135 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.318 9.471 1.586 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.973 9.375 0.466 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.740 5.674 0.930 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.488 7.224 0.092 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.925 6.240 -0.271 1.00 0.00 H new ATOM 185 N MET A 15 6.885 8.592 -1.030 1.00 0.00 N ATOM 186 CA MET A 15 7.992 8.044 -1.805 1.00 0.00 C ATOM 187 C MET A 15 7.921 6.521 -1.852 1.00 0.00 C ATOM 188 O MET A 15 8.110 5.848 -0.838 1.00 0.00 O ATOM 189 CB MET A 15 9.330 8.485 -1.207 1.00 0.00 C ATOM 190 CG MET A 15 9.510 9.994 -1.170 1.00 0.00 C ATOM 191 SD MET A 15 11.214 10.482 -0.840 1.00 0.00 S ATOM 192 CE MET A 15 11.958 10.222 -2.448 1.00 0.00 C ATOM 0 H MET A 15 7.063 8.658 -0.028 1.00 0.00 H new ATOM 0 HA MET A 15 7.914 8.426 -2.823 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.413 8.092 -0.194 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.141 8.044 -1.787 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.193 10.417 -2.123 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.860 10.415 -0.402 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.919 9.721 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.300 9.603 -3.058 1.00 0.00 H new ATOM 0 HE3 MET A 15 12.109 11.183 -2.939 1.00 0.00 H new ATOM 202 N LYS A 16 7.647 5.982 -3.036 1.00 0.00 N ATOM 203 CA LYS A 16 7.552 4.538 -3.216 1.00 0.00 C ATOM 204 C LYS A 16 8.844 3.976 -3.801 1.00 0.00 C ATOM 205 O LYS A 16 9.260 4.358 -4.895 1.00 0.00 O ATOM 206 CB LYS A 16 6.374 4.194 -4.130 1.00 0.00 C ATOM 207 CG LYS A 16 6.326 2.732 -4.536 1.00 0.00 C ATOM 208 CD LYS A 16 5.651 2.549 -5.885 1.00 0.00 C ATOM 209 CE LYS A 16 4.986 1.186 -5.996 1.00 0.00 C ATOM 210 NZ LYS A 16 5.932 0.145 -6.484 1.00 0.00 N ATOM 0 H LYS A 16 7.487 6.524 -3.885 1.00 0.00 H new ATOM 0 HA LYS A 16 7.390 4.085 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.444 4.452 -3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.429 4.810 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.339 2.332 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.789 2.161 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.906 3.331 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.388 2.661 -6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.594 0.893 -5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.136 1.251 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.440 -0.769 -6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.287 0.412 -7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.731 0.064 -5.823 1.00 0.00 H new ATOM 224 N LYS A 17 9.474 3.067 -3.066 1.00 0.00 N ATOM 225 CA LYS A 17 10.718 2.449 -3.512 1.00 0.00 C ATOM 226 C LYS A 17 10.729 2.284 -5.028 1.00 0.00 C ATOM 227 O LYS A 17 9.761 1.805 -5.618 1.00 0.00 O ATOM 228 CB LYS A 17 10.906 1.088 -2.838 1.00 0.00 C ATOM 229 CG LYS A 17 12.343 0.597 -2.850 1.00 0.00 C ATOM 230 CD LYS A 17 13.096 1.044 -1.608 1.00 0.00 C ATOM 231 CE LYS A 17 14.205 0.069 -1.247 1.00 0.00 C ATOM 232 NZ LYS A 17 15.325 0.116 -2.228 1.00 0.00 N ATOM 0 H LYS A 17 9.144 2.741 -2.158 1.00 0.00 H new ATOM 0 HA LYS A 17 11.542 3.104 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.561 1.152 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.276 0.353 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.356 -0.491 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.850 0.973 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 17 13.521 2.034 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.402 1.132 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.584 0.302 -0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.800 -0.942 -1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.061 -0.563 -1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.969 -0.131 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.728 1.075 -2.249 1.00 0.00 H new ATOM 355 N TRP A 24 14.521 6.137 -4.284 1.00 0.00 N ATOM 356 CA TRP A 24 13.152 6.508 -3.948 1.00 0.00 C ATOM 357 C TRP A 24 12.685 7.689 -4.792 1.00 0.00 C ATOM 358 O TRP A 24 13.498 8.443 -5.328 1.00 0.00 O ATOM 359 CB TRP A 24 13.045 6.855 -2.462 1.00 0.00 C ATOM 360 CG TRP A 24 13.322 5.690 -1.559 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.545 5.177 -1.236 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.354 4.894 -0.867 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.396 4.109 -0.384 1.00 0.00 N ATOM 364 CE2 TRP A 24 13.062 3.916 -0.141 1.00 0.00 C ATOM 365 CE3 TRP A 24 10.959 4.913 -0.787 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.421 2.968 0.651 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.324 3.972 0.000 1.00 0.00 C ATOM 368 CH2 TRP A 24 11.054 3.010 0.711 1.00 0.00 C ATOM 0 HA TRP A 24 12.509 5.655 -4.162 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.745 7.658 -2.232 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.045 7.236 -2.256 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.490 5.555 -1.597 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.156 3.550 0.005 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.387 5.650 -1.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.982 2.225 1.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.246 3.978 0.069 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.528 2.288 1.318 1.00 0.00 H new ATOM 379 N THR A 25 11.370 7.846 -4.908 1.00 0.00 N ATOM 380 CA THR A 25 10.795 8.934 -5.688 1.00 0.00 C ATOM 381 C THR A 25 9.404 9.299 -5.182 1.00 0.00 C ATOM 382 O THR A 25 8.574 8.424 -4.938 1.00 0.00 O ATOM 383 CB THR A 25 10.706 8.569 -7.182 1.00 0.00 C ATOM 384 OG1 THR A 25 10.025 7.320 -7.341 1.00 0.00 O ATOM 385 CG2 THR A 25 12.093 8.479 -7.800 1.00 0.00 C ATOM 0 H THR A 25 10.683 7.232 -4.471 1.00 0.00 H new ATOM 0 HA THR A 25 11.458 9.791 -5.570 1.00 0.00 H new ATOM 0 HB THR A 25 10.148 9.354 -7.693 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.442 7.165 -6.569 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.005 8.220 -8.855 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.598 9.440 -7.703 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.672 7.712 -7.285 1.00 0.00 H new ATOM 393 N GLU A 26 9.156 10.596 -5.027 1.00 0.00 N ATOM 394 CA GLU A 26 7.864 11.074 -4.550 1.00 0.00 C ATOM 395 C GLU A 26 6.769 10.800 -5.576 1.00 0.00 C ATOM 396 O GLU A 26 7.004 10.865 -6.783 1.00 0.00 O ATOM 397 CB GLU A 26 7.931 12.573 -4.248 1.00 0.00 C ATOM 398 CG GLU A 26 6.573 13.202 -3.987 1.00 0.00 C ATOM 399 CD GLU A 26 5.917 13.719 -5.253 1.00 0.00 C ATOM 400 OE1 GLU A 26 5.387 12.895 -6.027 1.00 0.00 O ATOM 401 OE2 GLU A 26 5.934 14.949 -5.469 1.00 0.00 O ATOM 0 H GLU A 26 9.832 11.334 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 26 7.622 10.535 -3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.569 12.732 -3.378 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.403 13.083 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.920 12.466 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.687 14.023 -3.280 1.00 0.00 H new ATOM 408 N ARG A 27 5.572 10.491 -5.088 1.00 0.00 N ATOM 409 CA ARG A 27 4.441 10.204 -5.961 1.00 0.00 C ATOM 410 C ARG A 27 3.125 10.295 -5.194 1.00 0.00 C ATOM 411 O ARG A 27 3.023 9.827 -4.061 1.00 0.00 O ATOM 412 CB ARG A 27 4.588 8.813 -6.581 1.00 0.00 C ATOM 413 CG ARG A 27 5.337 8.812 -7.904 1.00 0.00 C ATOM 414 CD ARG A 27 4.923 7.638 -8.777 1.00 0.00 C ATOM 415 NE ARG A 27 5.987 7.233 -9.691 1.00 0.00 N ATOM 416 CZ ARG A 27 7.053 6.535 -9.314 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.195 6.167 -8.049 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.980 6.205 -10.205 1.00 0.00 N ATOM 0 H ARG A 27 5.361 10.433 -4.092 1.00 0.00 H new ATOM 0 HA ARG A 27 4.430 10.949 -6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.110 8.164 -5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.597 8.386 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.145 9.746 -8.433 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.410 8.767 -7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.649 6.794 -8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.036 7.908 -9.350 1.00 0.00 H new ATOM 0 HE ARG A 27 5.908 7.500 -10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.485 6.419 -7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.014 5.631 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.874 6.487 -11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.798 5.669 -9.915 1.00 0.00 H new ATOM 432 N TRP A 28 2.122 10.900 -5.820 1.00 0.00 N ATOM 433 CA TRP A 28 0.813 11.053 -5.196 1.00 0.00 C ATOM 434 C TRP A 28 0.144 9.697 -4.997 1.00 0.00 C ATOM 435 O TRP A 28 -0.053 8.945 -5.951 1.00 0.00 O ATOM 436 CB TRP A 28 -0.080 11.955 -6.050 1.00 0.00 C ATOM 437 CG TRP A 28 -1.240 12.528 -5.294 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.565 12.277 -5.513 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.180 13.450 -4.201 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.332 12.987 -4.621 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.506 13.714 -3.805 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.136 14.077 -3.516 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.812 14.578 -2.756 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.441 14.934 -2.476 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.769 15.178 -2.104 1.00 0.00 C ATOM 0 H TRP A 28 2.190 11.292 -6.759 1.00 0.00 H new ATOM 0 HA TRP A 28 0.955 11.515 -4.219 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.520 12.770 -6.454 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.455 11.384 -6.899 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.953 11.617 -6.275 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.351 12.975 -4.574 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.891 13.895 -3.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.835 14.768 -2.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.359 15.424 -1.941 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.974 15.853 -1.286 1.00 0.00 H new ATOM 456 N PHE A 29 -0.204 9.391 -3.751 1.00 0.00 N ATOM 457 CA PHE A 29 -0.851 8.125 -3.427 1.00 0.00 C ATOM 458 C PHE A 29 -2.277 8.353 -2.935 1.00 0.00 C ATOM 459 O PHE A 29 -2.498 9.035 -1.934 1.00 0.00 O ATOM 460 CB PHE A 29 -0.046 7.374 -2.365 1.00 0.00 C ATOM 461 CG PHE A 29 0.971 6.431 -2.939 1.00 0.00 C ATOM 462 CD1 PHE A 29 2.245 6.874 -3.257 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.654 5.100 -3.161 1.00 0.00 C ATOM 464 CE1 PHE A 29 3.184 6.008 -3.785 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.589 4.230 -3.688 1.00 0.00 C ATOM 466 CZ PHE A 29 2.855 4.684 -4.002 1.00 0.00 C ATOM 0 H PHE A 29 -0.049 10.002 -2.950 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.891 7.523 -4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.461 8.097 -1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.732 6.813 -1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.507 7.908 -3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.335 4.739 -2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.174 6.366 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.330 3.195 -3.854 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.586 4.005 -4.416 1.00 0.00 H new ATOM 476 N VAL A 30 -3.242 7.778 -3.646 1.00 0.00 N ATOM 477 CA VAL A 30 -4.647 7.918 -3.282 1.00 0.00 C ATOM 478 C VAL A 30 -5.177 6.641 -2.641 1.00 0.00 C ATOM 479 O VAL A 30 -5.476 5.664 -3.330 1.00 0.00 O ATOM 480 CB VAL A 30 -5.513 8.262 -4.508 1.00 0.00 C ATOM 481 CG1 VAL A 30 -6.985 8.303 -4.128 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.073 9.585 -5.116 1.00 0.00 C ATOM 0 H VAL A 30 -3.076 7.211 -4.477 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.708 8.735 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.378 7.482 -5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.581 8.548 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.289 7.329 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.142 9.061 -3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.696 9.813 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.177 10.378 -4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.031 9.514 -5.428 1.00 0.00 H new ATOM 492 N LEU A 31 -5.294 6.654 -1.317 1.00 0.00 N ATOM 493 CA LEU A 31 -5.790 5.496 -0.581 1.00 0.00 C ATOM 494 C LEU A 31 -7.314 5.441 -0.616 1.00 0.00 C ATOM 495 O LEU A 31 -7.989 6.139 0.141 1.00 0.00 O ATOM 496 CB LEU A 31 -5.303 5.542 0.868 1.00 0.00 C ATOM 497 CG LEU A 31 -6.044 4.638 1.854 1.00 0.00 C ATOM 498 CD1 LEU A 31 -5.835 3.174 1.497 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.585 4.912 3.278 1.00 0.00 C ATOM 0 H LEU A 31 -5.052 7.454 -0.732 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.401 4.597 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.247 5.274 0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.377 6.570 1.223 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.109 4.858 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.370 2.546 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.214 2.987 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.771 2.939 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.123 4.260 3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.515 4.721 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.788 5.953 3.532 1.00 0.00 H new ATOM 511 N LYS A 32 -7.850 4.605 -1.499 1.00 0.00 N ATOM 512 CA LYS A 32 -9.294 4.454 -1.631 1.00 0.00 C ATOM 513 C LYS A 32 -9.843 3.511 -0.566 1.00 0.00 C ATOM 514 O LYS A 32 -9.107 2.750 0.062 1.00 0.00 O ATOM 515 CB LYS A 32 -9.647 3.928 -3.024 1.00 0.00 C ATOM 516 CG LYS A 32 -9.857 5.025 -4.054 1.00 0.00 C ATOM 517 CD LYS A 32 -11.133 5.806 -3.784 1.00 0.00 C ATOM 518 CE LYS A 32 -11.207 7.064 -4.636 1.00 0.00 C ATOM 519 NZ LYS A 32 -12.591 7.608 -4.703 1.00 0.00 N ATOM 0 H LYS A 32 -7.305 4.021 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.750 5.434 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.850 3.268 -3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.553 3.326 -2.957 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.004 5.704 -4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.902 4.586 -5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.998 5.175 -3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.179 6.076 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.539 7.821 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.855 6.842 -5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.679 8.233 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.269 6.824 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.794 8.148 -3.838 1.00 0.00 H new ATOM 533 N PRO A 33 -11.167 3.558 -0.357 1.00 0.00 N ATOM 534 CA PRO A 33 -11.844 2.712 0.630 1.00 0.00 C ATOM 535 C PRO A 33 -11.862 1.244 0.221 1.00 0.00 C ATOM 536 O PRO A 33 -11.976 0.356 1.064 1.00 0.00 O ATOM 537 CB PRO A 33 -13.267 3.276 0.665 1.00 0.00 C ATOM 538 CG PRO A 33 -13.455 3.911 -0.670 1.00 0.00 C ATOM 539 CD PRO A 33 -12.106 4.441 -1.070 1.00 0.00 C ATOM 0 HA PRO A 33 -11.340 2.731 1.596 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.001 2.489 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.386 4.002 1.469 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.822 3.187 -1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.191 4.714 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.960 4.395 -2.149 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.980 5.483 -0.775 1.00 0.00 H new ATOM 547 N ASN A 34 -11.749 0.996 -1.080 1.00 0.00 N ATOM 548 CA ASN A 34 -11.752 -0.366 -1.602 1.00 0.00 C ATOM 549 C ASN A 34 -10.645 -0.557 -2.634 1.00 0.00 C ATOM 550 O ASN A 34 -10.723 -1.442 -3.486 1.00 0.00 O ATOM 551 CB ASN A 34 -13.110 -0.691 -2.228 1.00 0.00 C ATOM 552 CG ASN A 34 -14.249 -0.565 -1.235 1.00 0.00 C ATOM 553 OD1 ASN A 34 -14.492 0.509 -0.685 1.00 0.00 O ATOM 554 ND2 ASN A 34 -14.955 -1.666 -1.001 1.00 0.00 N ATOM 0 H ASN A 34 -11.654 1.720 -1.792 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.570 -1.047 -0.771 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.289 -0.021 -3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.090 -1.705 -2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.734 -1.642 -0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.718 -2.535 -1.480 1.00 0.00 H new ATOM 561 N ILE A 35 -9.616 0.279 -2.550 1.00 0.00 N ATOM 562 CA ILE A 35 -8.493 0.202 -3.476 1.00 0.00 C ATOM 563 C ILE A 35 -7.437 1.253 -3.148 1.00 0.00 C ATOM 564 O ILE A 35 -7.607 2.051 -2.226 1.00 0.00 O ATOM 565 CB ILE A 35 -8.951 0.388 -4.934 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.942 -0.246 -5.894 1.00 0.00 C ATOM 567 CG2 ILE A 35 -9.131 1.866 -5.248 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.579 -0.865 -7.119 1.00 0.00 C ATOM 0 H ILE A 35 -9.537 1.017 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.060 -0.792 -3.365 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.911 -0.111 -5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.227 0.514 -6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.378 -1.012 -5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.455 1.981 -6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.883 2.290 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.184 2.386 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.804 -1.295 -7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.273 -1.648 -6.812 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.120 -0.099 -7.675 1.00 0.00 H new ATOM 580 N ILE A 36 -6.349 1.248 -3.911 1.00 0.00 N ATOM 581 CA ILE A 36 -5.267 2.203 -3.703 1.00 0.00 C ATOM 582 C ILE A 36 -4.574 2.543 -5.018 1.00 0.00 C ATOM 583 O ILE A 36 -3.803 1.744 -5.550 1.00 0.00 O ATOM 584 CB ILE A 36 -4.222 1.662 -2.710 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.832 1.536 -1.312 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.000 2.568 -2.681 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.904 0.894 -0.304 1.00 0.00 C ATOM 0 H ILE A 36 -6.193 0.594 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.717 3.105 -3.288 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.908 0.672 -3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.112 2.527 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.748 0.949 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.270 2.172 -1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.556 2.611 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.297 3.570 -2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.402 0.837 0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.643 -0.110 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.998 1.492 -0.211 1.00 0.00 H new ATOM 599 N SER A 37 -4.854 3.734 -5.537 1.00 0.00 N ATOM 600 CA SER A 37 -4.259 4.180 -6.792 1.00 0.00 C ATOM 601 C SER A 37 -3.342 5.378 -6.563 1.00 0.00 C ATOM 602 O SER A 37 -3.641 6.258 -5.755 1.00 0.00 O ATOM 603 CB SER A 37 -5.352 4.546 -7.798 1.00 0.00 C ATOM 604 OG SER A 37 -6.112 3.406 -8.162 1.00 0.00 O ATOM 0 H SER A 37 -5.489 4.407 -5.108 1.00 0.00 H new ATOM 0 HA SER A 37 -3.664 3.360 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.008 5.302 -7.368 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.900 4.985 -8.687 1.00 0.00 H new ATOM 0 HG SER A 37 -5.789 3.058 -9.019 1.00 0.00 H new ATOM 610 N TYR A 38 -2.224 5.405 -7.280 1.00 0.00 N ATOM 611 CA TYR A 38 -1.261 6.492 -7.154 1.00 0.00 C ATOM 612 C TYR A 38 -1.063 7.202 -8.490 1.00 0.00 C ATOM 613 O TYR A 38 -0.746 6.572 -9.499 1.00 0.00 O ATOM 614 CB TYR A 38 0.079 5.959 -6.643 1.00 0.00 C ATOM 615 CG TYR A 38 0.558 4.726 -7.375 1.00 0.00 C ATOM 616 CD1 TYR A 38 0.014 3.477 -7.104 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.556 4.811 -8.339 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.450 2.348 -7.770 1.00 0.00 C ATOM 619 CE2 TYR A 38 1.997 3.687 -9.011 1.00 0.00 C ATOM 620 CZ TYR A 38 1.441 2.458 -8.723 1.00 0.00 C ATOM 621 OH TYR A 38 1.877 1.336 -9.390 1.00 0.00 O ATOM 0 H TYR A 38 -1.962 4.686 -7.955 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.655 7.211 -6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.831 6.742 -6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.012 5.729 -5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.763 3.387 -6.360 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.994 5.772 -8.567 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.017 1.384 -7.546 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.773 3.770 -9.758 1.00 0.00 H new ATOM 0 HH TYR A 38 2.577 1.586 -10.028 1.00 0.00 H new ATOM 631 N TYR A 39 -1.251 8.517 -8.488 1.00 0.00 N ATOM 632 CA TYR A 39 -1.095 9.313 -9.699 1.00 0.00 C ATOM 633 C TYR A 39 0.227 10.075 -9.683 1.00 0.00 C ATOM 634 O TYR A 39 0.495 10.857 -8.771 1.00 0.00 O ATOM 635 CB TYR A 39 -2.260 10.293 -9.843 1.00 0.00 C ATOM 636 CG TYR A 39 -3.614 9.622 -9.889 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.248 9.214 -8.723 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.258 9.396 -11.099 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.485 8.599 -8.760 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.496 8.783 -11.146 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.105 8.387 -9.973 1.00 0.00 C ATOM 642 OH TYR A 39 -7.337 7.775 -10.016 1.00 0.00 O ATOM 0 H TYR A 39 -1.512 9.054 -7.661 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.092 8.635 -10.552 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.239 10.994 -9.008 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.122 10.877 -10.753 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.766 9.380 -7.771 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.783 9.705 -12.019 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.963 8.286 -7.844 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.984 8.615 -12.095 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.634 7.703 -10.947 1.00 0.00 H new ATOM 652 N VAL A 40 1.050 9.841 -10.701 1.00 0.00 N ATOM 653 CA VAL A 40 2.343 10.506 -10.807 1.00 0.00 C ATOM 654 C VAL A 40 2.286 11.914 -10.226 1.00 0.00 C ATOM 655 O VAL A 40 3.257 12.394 -9.640 1.00 0.00 O ATOM 656 CB VAL A 40 2.815 10.585 -12.271 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.526 9.301 -12.673 1.00 0.00 C ATOM 658 CG2 VAL A 40 1.640 10.865 -13.195 1.00 0.00 C ATOM 0 H VAL A 40 0.844 9.196 -11.464 1.00 0.00 H new ATOM 0 HA VAL A 40 3.054 9.909 -10.236 1.00 0.00 H new ATOM 0 HB VAL A 40 3.524 11.408 -12.362 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.852 9.375 -13.710 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.393 9.148 -12.030 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.843 8.458 -12.567 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.992 10.918 -14.225 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.906 10.065 -13.103 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.179 11.814 -12.920 1.00 0.00 H new ATOM 668 N SER A 41 1.143 12.571 -10.392 1.00 0.00 N ATOM 669 CA SER A 41 0.961 13.927 -9.887 1.00 0.00 C ATOM 670 C SER A 41 -0.165 13.976 -8.858 1.00 0.00 C ATOM 671 O SER A 41 -0.881 12.996 -8.659 1.00 0.00 O ATOM 672 CB SER A 41 0.655 14.886 -11.039 1.00 0.00 C ATOM 673 OG SER A 41 -0.481 14.459 -11.771 1.00 0.00 O ATOM 0 H SER A 41 0.329 12.187 -10.872 1.00 0.00 H new ATOM 0 HA SER A 41 1.887 14.236 -9.403 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.483 15.888 -10.646 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.517 14.948 -11.703 1.00 0.00 H new ATOM 0 HG SER A 41 -0.656 15.090 -12.500 1.00 0.00 H new ATOM 679 N GLU A 42 -0.312 15.126 -8.206 1.00 0.00 N ATOM 680 CA GLU A 42 -1.349 15.303 -7.197 1.00 0.00 C ATOM 681 C GLU A 42 -2.582 15.975 -7.795 1.00 0.00 C ATOM 682 O GLU A 42 -3.299 16.703 -7.108 1.00 0.00 O ATOM 683 CB GLU A 42 -0.817 16.134 -6.028 1.00 0.00 C ATOM 684 CG GLU A 42 -0.721 17.620 -6.332 1.00 0.00 C ATOM 685 CD GLU A 42 0.090 18.376 -5.297 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.277 18.328 -4.105 1.00 0.00 O ATOM 687 OE2 GLU A 42 1.092 19.015 -5.681 1.00 0.00 O ATOM 0 H GLU A 42 0.273 15.947 -8.359 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.636 14.317 -6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.467 15.989 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.170 15.764 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.269 17.758 -7.314 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.725 18.043 -6.381 1.00 0.00 H new ATOM 694 N ASP A 43 -2.820 15.727 -9.078 1.00 0.00 N ATOM 695 CA ASP A 43 -3.965 16.307 -9.769 1.00 0.00 C ATOM 696 C ASP A 43 -4.958 15.224 -10.179 1.00 0.00 C ATOM 697 O ASP A 43 -6.055 15.521 -10.655 1.00 0.00 O ATOM 698 CB ASP A 43 -3.503 17.086 -11.002 1.00 0.00 C ATOM 699 CG ASP A 43 -2.863 18.412 -10.643 1.00 0.00 C ATOM 700 OD1 ASP A 43 -3.166 18.942 -9.553 1.00 0.00 O ATOM 701 OD2 ASP A 43 -2.059 18.921 -11.451 1.00 0.00 O ATOM 0 H ASP A 43 -2.235 15.128 -9.661 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.464 16.991 -9.083 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.790 16.482 -11.564 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.356 17.263 -11.657 1.00 0.00 H new ATOM 706 N LEU A 44 -4.567 13.969 -9.991 1.00 0.00 N ATOM 707 CA LEU A 44 -5.423 12.841 -10.342 1.00 0.00 C ATOM 708 C LEU A 44 -5.698 12.811 -11.842 1.00 0.00 C ATOM 709 O LEU A 44 -6.783 12.427 -12.279 1.00 0.00 O ATOM 710 CB LEU A 44 -6.742 12.917 -9.572 1.00 0.00 C ATOM 711 CG LEU A 44 -6.636 13.294 -8.094 1.00 0.00 C ATOM 712 CD1 LEU A 44 -8.018 13.392 -7.468 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.781 12.282 -7.346 1.00 0.00 C ATOM 0 H LEU A 44 -3.663 13.706 -9.598 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.902 11.923 -10.069 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.387 13.644 -10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.238 11.949 -9.645 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.156 14.270 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.923 13.661 -6.416 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.599 14.155 -7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.524 12.430 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.716 12.566 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.233 11.293 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.781 12.261 -7.778 1.00 0.00 H new ATOM 725 N LYS A 45 -4.706 13.218 -12.628 1.00 0.00 N ATOM 726 CA LYS A 45 -4.838 13.236 -14.080 1.00 0.00 C ATOM 727 C LYS A 45 -4.171 12.013 -14.702 1.00 0.00 C ATOM 728 O LYS A 45 -4.738 11.365 -15.582 1.00 0.00 O ATOM 729 CB LYS A 45 -4.221 14.513 -14.653 1.00 0.00 C ATOM 730 CG LYS A 45 -4.976 15.776 -14.276 1.00 0.00 C ATOM 731 CD LYS A 45 -6.051 16.108 -15.296 1.00 0.00 C ATOM 732 CE LYS A 45 -7.178 16.919 -14.674 1.00 0.00 C ATOM 733 NZ LYS A 45 -6.694 18.220 -14.136 1.00 0.00 N ATOM 0 H LYS A 45 -3.802 13.540 -12.283 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.900 13.212 -14.324 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.192 14.597 -14.304 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.184 14.433 -15.739 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.432 15.649 -13.294 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.277 16.609 -14.198 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.611 16.668 -16.121 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.453 15.186 -15.715 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.950 17.100 -15.421 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.640 16.343 -13.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.506 18.792 -13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.065 18.048 -13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.172 18.730 -14.877 1.00 0.00 H new ATOM 747 N ASP A 46 -2.965 11.702 -14.238 1.00 0.00 N ATOM 748 CA ASP A 46 -2.222 10.555 -14.747 1.00 0.00 C ATOM 749 C ASP A 46 -2.184 9.432 -13.716 1.00 0.00 C ATOM 750 O ASP A 46 -1.667 9.605 -12.612 1.00 0.00 O ATOM 751 CB ASP A 46 -0.799 10.969 -15.123 1.00 0.00 C ATOM 752 CG ASP A 46 -0.754 11.817 -16.379 1.00 0.00 C ATOM 753 OD1 ASP A 46 -1.045 13.028 -16.288 1.00 0.00 O ATOM 754 OD2 ASP A 46 -0.428 11.269 -17.452 1.00 0.00 O ATOM 0 H ASP A 46 -2.481 12.228 -13.510 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.732 10.188 -15.638 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.356 11.525 -14.297 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.191 10.076 -15.269 1.00 0.00 H new ATOM 759 N LYS A 47 -2.735 8.280 -14.083 1.00 0.00 N ATOM 760 CA LYS A 47 -2.764 7.127 -13.191 1.00 0.00 C ATOM 761 C LYS A 47 -1.703 6.105 -13.587 1.00 0.00 C ATOM 762 O LYS A 47 -1.392 5.943 -14.768 1.00 0.00 O ATOM 763 CB LYS A 47 -4.148 6.474 -13.213 1.00 0.00 C ATOM 764 CG LYS A 47 -4.321 5.380 -12.174 1.00 0.00 C ATOM 765 CD LYS A 47 -5.759 4.892 -12.112 1.00 0.00 C ATOM 766 CE LYS A 47 -6.133 4.100 -13.355 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.602 4.111 -13.598 1.00 0.00 N ATOM 0 H LYS A 47 -3.168 8.120 -14.993 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.549 7.476 -12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.905 7.241 -13.050 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.327 6.055 -14.203 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.662 4.545 -12.411 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.021 5.755 -11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.895 4.269 -11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.430 5.745 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.619 4.518 -14.220 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.790 3.071 -13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.816 3.561 -14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.092 3.689 -12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.925 5.091 -13.727 1.00 0.00 H new ATOM 781 N LYS A 48 -1.149 5.418 -12.594 1.00 0.00 N ATOM 782 CA LYS A 48 -0.125 4.410 -12.838 1.00 0.00 C ATOM 783 C LYS A 48 -0.702 3.004 -12.707 1.00 0.00 C ATOM 784 O LYS A 48 -0.444 2.137 -13.541 1.00 0.00 O ATOM 785 CB LYS A 48 1.038 4.588 -11.860 1.00 0.00 C ATOM 786 CG LYS A 48 1.813 5.878 -12.064 1.00 0.00 C ATOM 787 CD LYS A 48 2.623 5.844 -13.350 1.00 0.00 C ATOM 788 CE LYS A 48 4.006 5.252 -13.122 1.00 0.00 C ATOM 789 NZ LYS A 48 3.986 3.764 -13.165 1.00 0.00 N ATOM 0 H LYS A 48 -1.393 5.541 -11.611 1.00 0.00 H new ATOM 0 HA LYS A 48 0.241 4.540 -13.856 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.652 4.564 -10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.720 3.744 -11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.120 6.719 -12.091 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.480 6.041 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.093 5.256 -14.099 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.719 6.854 -13.747 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.692 5.628 -13.881 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.388 5.582 -12.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.896 3.415 -13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.828 3.391 -12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.219 3.445 -13.791 1.00 0.00 H new ATOM 803 N GLY A 49 -1.487 2.787 -11.656 1.00 0.00 N ATOM 804 CA GLY A 49 -2.090 1.485 -11.437 1.00 0.00 C ATOM 805 C GLY A 49 -3.048 1.480 -10.262 1.00 0.00 C ATOM 806 O GLY A 49 -3.279 2.515 -9.637 1.00 0.00 O ATOM 0 H GLY A 49 -1.716 3.489 -10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.623 1.179 -12.337 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.305 0.749 -11.265 1.00 0.00 H new ATOM 810 N ASP A 50 -3.607 0.313 -9.962 1.00 0.00 N ATOM 811 CA ASP A 50 -4.546 0.178 -8.855 1.00 0.00 C ATOM 812 C ASP A 50 -4.259 -1.087 -8.051 1.00 0.00 C ATOM 813 O ASP A 50 -4.125 -2.174 -8.613 1.00 0.00 O ATOM 814 CB ASP A 50 -5.983 0.150 -9.377 1.00 0.00 C ATOM 815 CG ASP A 50 -6.206 1.131 -10.511 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.519 2.174 -10.538 1.00 0.00 O ATOM 817 OD2 ASP A 50 -7.067 0.856 -11.373 1.00 0.00 O ATOM 0 H ASP A 50 -3.426 -0.553 -10.470 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.423 1.040 -8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.223 -0.857 -9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.668 0.381 -8.561 1.00 0.00 H new ATOM 822 N ILE A 51 -4.165 -0.936 -6.734 1.00 0.00 N ATOM 823 CA ILE A 51 -3.895 -2.066 -5.853 1.00 0.00 C ATOM 824 C ILE A 51 -5.185 -2.626 -5.265 1.00 0.00 C ATOM 825 O ILE A 51 -5.687 -2.129 -4.256 1.00 0.00 O ATOM 826 CB ILE A 51 -2.949 -1.670 -4.704 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.692 -0.996 -5.258 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.580 -2.892 -3.876 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.950 -0.166 -4.234 1.00 0.00 C ATOM 0 H ILE A 51 -4.272 -0.043 -6.254 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.414 -2.832 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.465 -0.960 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.021 -1.761 -5.648 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.971 -0.359 -6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.911 -2.596 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.484 -3.333 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.080 -3.624 -4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.070 0.282 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.604 0.622 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.640 -0.803 -3.405 1.00 0.00 H new ATOM 841 N LEU A 52 -5.717 -3.664 -5.901 1.00 0.00 N ATOM 842 CA LEU A 52 -6.949 -4.294 -5.439 1.00 0.00 C ATOM 843 C LEU A 52 -6.813 -4.763 -3.994 1.00 0.00 C ATOM 844 O LEU A 52 -6.162 -5.771 -3.716 1.00 0.00 O ATOM 845 CB LEU A 52 -7.308 -5.477 -6.340 1.00 0.00 C ATOM 846 CG LEU A 52 -7.298 -5.203 -7.844 1.00 0.00 C ATOM 847 CD1 LEU A 52 -7.279 -6.509 -8.624 1.00 0.00 C ATOM 848 CD2 LEU A 52 -8.500 -4.360 -8.241 1.00 0.00 C ATOM 0 H LEU A 52 -5.315 -4.087 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.747 -3.553 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.611 -6.289 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.301 -5.831 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.393 -4.645 -8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.272 -6.294 -9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.386 -7.076 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.165 -7.093 -8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.476 -4.175 -9.315 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.417 -4.890 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.470 -3.409 -7.708 1.00 0.00 H new ATOM 860 N LEU A 53 -7.433 -4.027 -3.078 1.00 0.00 N ATOM 861 CA LEU A 53 -7.383 -4.368 -1.661 1.00 0.00 C ATOM 862 C LEU A 53 -8.209 -5.617 -1.372 1.00 0.00 C ATOM 863 O LEU A 53 -9.304 -5.787 -1.909 1.00 0.00 O ATOM 864 CB LEU A 53 -7.893 -3.199 -0.816 1.00 0.00 C ATOM 865 CG LEU A 53 -6.959 -1.993 -0.706 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.685 -0.811 -0.083 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.722 -2.350 0.105 1.00 0.00 C ATOM 0 H LEU A 53 -7.976 -3.190 -3.291 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.345 -4.572 -1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.842 -2.862 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.100 -3.566 0.189 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.642 -1.710 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.005 0.038 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.540 -0.541 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.032 -1.082 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.068 -1.480 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.020 -2.659 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.190 -3.166 -0.383 1.00 0.00 H new ATOM 879 N ASP A 54 -7.679 -6.487 -0.520 1.00 0.00 N ATOM 880 CA ASP A 54 -8.369 -7.720 -0.157 1.00 0.00 C ATOM 881 C ASP A 54 -7.859 -8.255 1.177 1.00 0.00 C ATOM 882 O ASP A 54 -6.700 -8.051 1.536 1.00 0.00 O ATOM 883 CB ASP A 54 -8.183 -8.774 -1.249 1.00 0.00 C ATOM 884 CG ASP A 54 -8.951 -10.049 -0.960 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.198 -10.014 -1.009 1.00 0.00 O ATOM 886 OD2 ASP A 54 -8.305 -11.082 -0.684 1.00 0.00 O ATOM 0 H ASP A 54 -6.774 -6.362 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.431 -7.497 -0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.511 -8.365 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.123 -9.007 -1.349 1.00 0.00 H new ATOM 891 N GLU A 55 -8.733 -8.940 1.907 1.00 0.00 N ATOM 892 CA GLU A 55 -8.371 -9.503 3.203 1.00 0.00 C ATOM 893 C GLU A 55 -6.910 -9.945 3.215 1.00 0.00 C ATOM 894 O GLU A 55 -6.173 -9.661 4.158 1.00 0.00 O ATOM 895 CB GLU A 55 -9.276 -10.690 3.540 1.00 0.00 C ATOM 896 CG GLU A 55 -9.246 -11.794 2.496 1.00 0.00 C ATOM 897 CD GLU A 55 -10.352 -12.813 2.693 1.00 0.00 C ATOM 898 OE1 GLU A 55 -10.501 -13.313 3.828 1.00 0.00 O ATOM 899 OE2 GLU A 55 -11.066 -13.111 1.713 1.00 0.00 O ATOM 0 H GLU A 55 -9.696 -9.119 1.624 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.505 -8.727 3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.975 -11.104 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.300 -10.335 3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.336 -11.353 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.281 -12.299 2.534 1.00 0.00 H new ATOM 906 N ASN A 56 -6.500 -10.641 2.159 1.00 0.00 N ATOM 907 CA ASN A 56 -5.128 -11.123 2.048 1.00 0.00 C ATOM 908 C ASN A 56 -4.134 -9.973 2.190 1.00 0.00 C ATOM 909 O ASN A 56 -3.241 -10.011 3.038 1.00 0.00 O ATOM 910 CB ASN A 56 -4.920 -11.828 0.706 1.00 0.00 C ATOM 911 CG ASN A 56 -5.285 -13.298 0.763 1.00 0.00 C ATOM 912 OD1 ASN A 56 -4.419 -14.169 0.677 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.574 -13.582 0.910 1.00 0.00 N ATOM 0 H ASN A 56 -7.098 -10.883 1.369 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.953 -11.834 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.523 -11.336 -0.057 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.878 -11.727 0.403 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.880 -14.554 0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.258 -12.828 0.977 1.00 0.00 H new ATOM 920 N CYS A 57 -4.296 -8.952 1.356 1.00 0.00 N ATOM 921 CA CYS A 57 -3.414 -7.791 1.388 1.00 0.00 C ATOM 922 C CYS A 57 -3.315 -7.222 2.800 1.00 0.00 C ATOM 923 O CYS A 57 -4.305 -7.171 3.531 1.00 0.00 O ATOM 924 CB CYS A 57 -3.921 -6.714 0.427 1.00 0.00 C ATOM 925 SG CYS A 57 -3.630 -7.090 -1.332 1.00 0.00 S ATOM 0 H CYS A 57 -5.030 -8.905 0.649 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.421 -8.111 1.074 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.990 -6.575 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.437 -5.768 0.670 1.00 0.00 H new ATOM 930 N CYS A 58 -2.114 -6.796 3.177 1.00 0.00 N ATOM 931 CA CYS A 58 -1.885 -6.231 4.502 1.00 0.00 C ATOM 932 C CYS A 58 -0.682 -5.294 4.492 1.00 0.00 C ATOM 933 O CYS A 58 0.067 -5.238 3.517 1.00 0.00 O ATOM 934 CB CYS A 58 -1.668 -7.348 5.525 1.00 0.00 C ATOM 935 SG CYS A 58 -0.144 -8.289 5.278 1.00 0.00 S ATOM 0 H CYS A 58 -1.285 -6.831 2.584 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.768 -5.657 4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.656 -6.913 6.525 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.515 -8.032 5.485 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.049 -9.208 6.192 1.00 0.00 H new ATOM 941 N VAL A 59 -0.503 -4.557 5.584 1.00 0.00 N ATOM 942 CA VAL A 59 0.608 -3.620 5.701 1.00 0.00 C ATOM 943 C VAL A 59 1.510 -3.982 6.876 1.00 0.00 C ATOM 944 O VAL A 59 1.031 -4.378 7.939 1.00 0.00 O ATOM 945 CB VAL A 59 0.108 -2.175 5.877 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.709 -2.044 7.154 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.279 -1.203 5.882 1.00 0.00 C ATOM 0 H VAL A 59 -1.113 -4.591 6.400 1.00 0.00 H new ATOM 0 HA VAL A 59 1.178 -3.688 4.775 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.537 -1.927 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.054 -1.016 7.261 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.569 -2.712 7.106 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.090 -2.310 8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.907 -0.186 6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.951 -1.448 6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.818 -1.278 4.938 1.00 0.00 H new ATOM 957 N GLU A 60 2.817 -3.842 6.678 1.00 0.00 N ATOM 958 CA GLU A 60 3.785 -4.154 7.722 1.00 0.00 C ATOM 959 C GLU A 60 4.818 -3.039 7.858 1.00 0.00 C ATOM 960 O GLU A 60 5.343 -2.541 6.862 1.00 0.00 O ATOM 961 CB GLU A 60 4.486 -5.480 7.419 1.00 0.00 C ATOM 962 CG GLU A 60 5.323 -5.449 6.151 1.00 0.00 C ATOM 963 CD GLU A 60 6.256 -6.639 6.039 1.00 0.00 C ATOM 964 OE1 GLU A 60 5.777 -7.739 5.691 1.00 0.00 O ATOM 965 OE2 GLU A 60 7.466 -6.471 6.301 1.00 0.00 O ATOM 0 H GLU A 60 3.229 -3.515 5.804 1.00 0.00 H new ATOM 0 HA GLU A 60 3.247 -4.243 8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.126 -5.744 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.736 -6.266 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.662 -5.427 5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.908 -4.530 6.129 1.00 0.00 H new ATOM 972 N SER A 61 5.104 -2.652 9.097 1.00 0.00 N ATOM 973 CA SER A 61 6.070 -1.593 9.363 1.00 0.00 C ATOM 974 C SER A 61 7.498 -2.117 9.241 1.00 0.00 C ATOM 975 O SER A 61 7.821 -3.195 9.741 1.00 0.00 O ATOM 976 CB SER A 61 5.847 -1.010 10.760 1.00 0.00 C ATOM 977 OG SER A 61 4.562 -0.422 10.868 1.00 0.00 O ATOM 0 H SER A 61 4.680 -3.056 9.932 1.00 0.00 H new ATOM 0 HA SER A 61 5.925 -0.808 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.954 -1.796 11.507 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.611 -0.262 10.972 1.00 0.00 H new ATOM 0 HG SER A 61 4.443 -0.058 11.770 1.00 0.00 H new ATOM 983 N LEU A 62 8.348 -1.347 8.572 1.00 0.00 N ATOM 984 CA LEU A 62 9.743 -1.732 8.382 1.00 0.00 C ATOM 985 C LEU A 62 10.670 -0.842 9.204 1.00 0.00 C ATOM 986 O LEU A 62 10.386 0.330 9.453 1.00 0.00 O ATOM 987 CB LEU A 62 10.118 -1.649 6.902 1.00 0.00 C ATOM 988 CG LEU A 62 9.227 -2.435 5.939 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.639 -2.175 4.498 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.285 -3.923 6.252 1.00 0.00 C ATOM 0 H LEU A 62 8.097 -0.452 8.152 1.00 0.00 H new ATOM 0 HA LEU A 62 9.860 -2.761 8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.106 -0.601 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.143 -2.002 6.787 1.00 0.00 H new ATOM 0 HG LEU A 62 8.199 -2.097 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.994 -2.743 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.544 -1.111 4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.674 -2.484 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.645 -4.466 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.311 -4.276 6.152 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.940 -4.094 7.272 1.00 0.00 H new ATOM 1002 N PRO A 63 11.807 -1.409 9.634 1.00 0.00 N ATOM 1003 CA PRO A 63 12.800 -0.684 10.432 1.00 0.00 C ATOM 1004 C PRO A 63 13.525 0.386 9.622 1.00 0.00 C ATOM 1005 O PRO A 63 13.160 0.668 8.481 1.00 0.00 O ATOM 1006 CB PRO A 63 13.777 -1.780 10.864 1.00 0.00 C ATOM 1007 CG PRO A 63 13.645 -2.837 9.822 1.00 0.00 C ATOM 1008 CD PRO A 63 12.210 -2.801 9.375 1.00 0.00 C ATOM 0 HA PRO A 63 12.342 -0.150 11.264 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.798 -1.402 10.917 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.528 -2.165 11.853 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.319 -2.648 8.986 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.904 -3.816 10.225 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.111 -3.058 8.320 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.597 -3.508 9.934 1.00 0.00 H new ATOM 1016 N ASP A 64 14.553 0.978 10.220 1.00 0.00 N ATOM 1017 CA ASP A 64 15.330 2.016 9.553 1.00 0.00 C ATOM 1018 C ASP A 64 16.423 1.403 8.683 1.00 0.00 C ATOM 1019 O ASP A 64 17.281 0.668 9.172 1.00 0.00 O ATOM 1020 CB ASP A 64 15.952 2.960 10.584 1.00 0.00 C ATOM 1021 CG ASP A 64 16.435 2.229 11.821 1.00 0.00 C ATOM 1022 OD1 ASP A 64 16.938 1.094 11.681 1.00 0.00 O ATOM 1023 OD2 ASP A 64 16.309 2.790 12.930 1.00 0.00 O ATOM 0 H ASP A 64 14.867 0.757 11.165 1.00 0.00 H new ATOM 0 HA ASP A 64 14.656 2.584 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.789 3.490 10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.218 3.712 10.873 1.00 0.00 H new ATOM 1028 N LYS A 65 16.386 1.709 7.391 1.00 0.00 N ATOM 1029 CA LYS A 65 17.372 1.189 6.452 1.00 0.00 C ATOM 1030 C LYS A 65 17.816 2.271 5.474 1.00 0.00 C ATOM 1031 O LYS A 65 17.036 3.152 5.111 1.00 0.00 O ATOM 1032 CB LYS A 65 16.796 -0.003 5.683 1.00 0.00 C ATOM 1033 CG LYS A 65 15.794 0.391 4.612 1.00 0.00 C ATOM 1034 CD LYS A 65 15.173 -0.829 3.954 1.00 0.00 C ATOM 1035 CE LYS A 65 13.944 -1.306 4.713 1.00 0.00 C ATOM 1036 NZ LYS A 65 13.191 -2.342 3.953 1.00 0.00 N ATOM 0 H LYS A 65 15.682 2.316 6.970 1.00 0.00 H new ATOM 0 HA LYS A 65 18.241 0.860 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.614 -0.554 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.314 -0.681 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.010 1.006 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.289 1.001 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.897 -0.589 2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.908 -1.633 3.908 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.248 -1.712 5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.290 -0.458 4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.730 -2.995 4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.469 -1.883 3.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.848 -2.873 3.346 1.00 0.00 H new ATOM 1050 N ASP A 66 19.073 2.199 5.049 1.00 0.00 N ATOM 1051 CA ASP A 66 19.620 3.172 4.110 1.00 0.00 C ATOM 1052 C ASP A 66 19.386 4.596 4.605 1.00 0.00 C ATOM 1053 O ASP A 66 19.105 5.499 3.819 1.00 0.00 O ATOM 1054 CB ASP A 66 18.990 2.989 2.729 1.00 0.00 C ATOM 1055 CG ASP A 66 19.743 3.737 1.646 1.00 0.00 C ATOM 1056 OD1 ASP A 66 20.817 3.254 1.228 1.00 0.00 O ATOM 1057 OD2 ASP A 66 19.258 4.804 1.215 1.00 0.00 O ATOM 0 H ASP A 66 19.732 1.477 5.340 1.00 0.00 H new ATOM 0 HA ASP A 66 20.694 3.004 4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.964 1.928 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.957 3.336 2.755 1.00 0.00 H new ATOM 1062 N GLY A 67 19.502 4.788 5.916 1.00 0.00 N ATOM 1063 CA GLY A 67 19.299 6.104 6.493 1.00 0.00 C ATOM 1064 C GLY A 67 17.865 6.579 6.364 1.00 0.00 C ATOM 1065 O GLY A 67 17.613 7.731 6.010 1.00 0.00 O ATOM 0 H GLY A 67 19.733 4.056 6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.578 6.082 7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.961 6.818 6.003 1.00 0.00 H new ATOM 1069 N LYS A 68 16.921 5.688 6.651 1.00 0.00 N ATOM 1070 CA LYS A 68 15.504 6.021 6.565 1.00 0.00 C ATOM 1071 C LYS A 68 14.851 5.979 7.943 1.00 0.00 C ATOM 1072 O LYS A 68 15.469 5.560 8.922 1.00 0.00 O ATOM 1073 CB LYS A 68 14.788 5.053 5.620 1.00 0.00 C ATOM 1074 CG LYS A 68 15.023 5.352 4.150 1.00 0.00 C ATOM 1075 CD LYS A 68 14.243 6.576 3.699 1.00 0.00 C ATOM 1076 CE LYS A 68 13.955 6.534 2.206 1.00 0.00 C ATOM 1077 NZ LYS A 68 13.122 7.689 1.769 1.00 0.00 N ATOM 0 H LYS A 68 17.112 4.730 6.945 1.00 0.00 H new ATOM 0 HA LYS A 68 15.417 7.034 6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.121 4.037 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.717 5.086 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.087 5.513 3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.729 4.490 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.304 6.634 4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.809 7.477 3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.895 6.535 1.655 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.443 5.604 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.948 7.624 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.214 7.674 2.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.622 8.577 1.979 1.00 0.00 H new ATOM 1091 N LYS A 69 13.598 6.415 8.012 1.00 0.00 N ATOM 1092 CA LYS A 69 12.859 6.426 9.269 1.00 0.00 C ATOM 1093 C LYS A 69 11.355 6.413 9.017 1.00 0.00 C ATOM 1094 O LYS A 69 10.874 7.003 8.048 1.00 0.00 O ATOM 1095 CB LYS A 69 13.238 7.656 10.097 1.00 0.00 C ATOM 1096 CG LYS A 69 13.032 8.970 9.362 1.00 0.00 C ATOM 1097 CD LYS A 69 14.243 9.331 8.518 1.00 0.00 C ATOM 1098 CE LYS A 69 15.398 9.818 9.379 1.00 0.00 C ATOM 1099 NZ LYS A 69 15.137 11.172 9.943 1.00 0.00 N ATOM 0 H LYS A 69 13.072 6.766 7.211 1.00 0.00 H new ATOM 0 HA LYS A 69 13.124 5.526 9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.646 7.664 11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.284 7.576 10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.151 8.897 8.724 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.839 9.765 10.082 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.559 8.461 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.970 10.106 7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.567 9.112 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 69 16.310 9.843 8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.022 11.568 10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.770 11.795 9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.437 11.100 10.709 1.00 0.00 H new ATOM 1113 N CYS A 70 10.618 5.739 9.892 1.00 0.00 N ATOM 1114 CA CYS A 70 9.168 5.650 9.764 1.00 0.00 C ATOM 1115 C CYS A 70 8.777 5.047 8.419 1.00 0.00 C ATOM 1116 O CYS A 70 7.882 5.550 7.737 1.00 0.00 O ATOM 1117 CB CYS A 70 8.536 7.034 9.919 1.00 0.00 C ATOM 1118 SG CYS A 70 8.675 7.727 11.583 1.00 0.00 S ATOM 0 H CYS A 70 11.001 5.246 10.699 1.00 0.00 H new ATOM 0 HA CYS A 70 8.797 4.998 10.555 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.006 7.718 9.212 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.482 6.972 9.650 1.00 0.00 H new ATOM 0 HG CYS A 70 8.308 8.974 11.566 1.00 0.00 H new ATOM 1124 N LEU A 71 9.453 3.968 8.042 1.00 0.00 N ATOM 1125 CA LEU A 71 9.178 3.296 6.776 1.00 0.00 C ATOM 1126 C LEU A 71 8.041 2.290 6.930 1.00 0.00 C ATOM 1127 O LEU A 71 7.722 1.862 8.040 1.00 0.00 O ATOM 1128 CB LEU A 71 10.435 2.588 6.268 1.00 0.00 C ATOM 1129 CG LEU A 71 11.436 3.460 5.510 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.796 2.783 5.450 1.00 0.00 C ATOM 1131 CD2 LEU A 71 10.926 3.761 4.108 1.00 0.00 C ATOM 0 H LEU A 71 10.196 3.539 8.594 1.00 0.00 H new ATOM 0 HA LEU A 71 8.876 4.051 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.946 2.141 7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.129 1.770 5.616 1.00 0.00 H new ATOM 0 HG LEU A 71 11.546 4.403 6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.495 3.419 4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.166 2.619 6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.703 1.825 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.651 4.383 3.583 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.787 2.827 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.975 4.289 4.172 1.00 0.00 H new ATOM 1143 N PHE A 72 7.434 1.915 5.809 1.00 0.00 N ATOM 1144 CA PHE A 72 6.334 0.959 5.818 1.00 0.00 C ATOM 1145 C PHE A 72 6.113 0.371 4.428 1.00 0.00 C ATOM 1146 O PHE A 72 6.079 1.096 3.432 1.00 0.00 O ATOM 1147 CB PHE A 72 5.050 1.631 6.310 1.00 0.00 C ATOM 1148 CG PHE A 72 4.458 2.591 5.319 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.562 2.151 4.358 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.798 3.934 5.347 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.015 3.032 3.444 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.254 4.820 4.436 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.363 4.368 3.483 1.00 0.00 C ATOM 0 H PHE A 72 7.686 2.259 4.882 1.00 0.00 H new ATOM 0 HA PHE A 72 6.596 0.149 6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.314 0.862 6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.260 2.163 7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.288 1.107 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.496 4.293 6.089 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.317 2.676 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.526 5.865 4.470 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.939 5.058 2.769 1.00 0.00 H new ATOM 1163 N LEU A 73 5.963 -0.948 4.367 1.00 0.00 N ATOM 1164 CA LEU A 73 5.745 -1.635 3.099 1.00 0.00 C ATOM 1165 C LEU A 73 4.445 -2.432 3.127 1.00 0.00 C ATOM 1166 O LEU A 73 4.083 -3.014 4.150 1.00 0.00 O ATOM 1167 CB LEU A 73 6.920 -2.566 2.792 1.00 0.00 C ATOM 1168 CG LEU A 73 6.724 -3.531 1.622 1.00 0.00 C ATOM 1169 CD1 LEU A 73 8.053 -3.820 0.941 1.00 0.00 C ATOM 1170 CD2 LEU A 73 6.075 -4.822 2.098 1.00 0.00 C ATOM 0 H LEU A 73 5.988 -1.563 5.181 1.00 0.00 H new ATOM 0 HA LEU A 73 5.671 -0.882 2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.799 -1.954 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.138 -3.150 3.686 1.00 0.00 H new ATOM 0 HG LEU A 73 6.061 -3.061 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.894 -4.508 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.479 -2.890 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.739 -4.269 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.943 -5.497 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.713 -5.296 2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.103 -4.600 2.539 1.00 0.00 H new ATOM 1182 N VAL A 74 3.746 -2.455 1.997 1.00 0.00 N ATOM 1183 CA VAL A 74 2.487 -3.183 1.891 1.00 0.00 C ATOM 1184 C VAL A 74 2.663 -4.474 1.099 1.00 0.00 C ATOM 1185 O VAL A 74 3.199 -4.467 -0.010 1.00 0.00 O ATOM 1186 CB VAL A 74 1.398 -2.327 1.219 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.113 -3.125 1.058 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.149 -1.057 2.020 1.00 0.00 C ATOM 0 H VAL A 74 4.030 -1.978 1.142 1.00 0.00 H new ATOM 0 HA VAL A 74 2.175 -3.423 2.907 1.00 0.00 H new ATOM 0 HB VAL A 74 1.747 -2.042 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.644 -2.503 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.304 -4.002 0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.243 -3.443 2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.376 -0.464 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.822 -1.320 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.070 -0.477 2.078 1.00 0.00 H new ATOM 1198 N LYS A 75 2.209 -5.582 1.675 1.00 0.00 N ATOM 1199 CA LYS A 75 2.314 -6.882 1.023 1.00 0.00 C ATOM 1200 C LYS A 75 0.945 -7.374 0.566 1.00 0.00 C ATOM 1201 O LYS A 75 -0.025 -7.333 1.324 1.00 0.00 O ATOM 1202 CB LYS A 75 2.944 -7.903 1.974 1.00 0.00 C ATOM 1203 CG LYS A 75 3.708 -9.006 1.263 1.00 0.00 C ATOM 1204 CD LYS A 75 4.858 -9.523 2.110 1.00 0.00 C ATOM 1205 CE LYS A 75 6.139 -8.746 1.844 1.00 0.00 C ATOM 1206 NZ LYS A 75 7.217 -9.108 2.806 1.00 0.00 N ATOM 0 H LYS A 75 1.764 -5.606 2.593 1.00 0.00 H new ATOM 0 HA LYS A 75 2.951 -6.770 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.620 -7.385 2.654 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.160 -8.351 2.584 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.030 -9.827 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.093 -8.630 0.315 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.597 -9.446 3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.021 -10.580 1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.479 -8.943 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.936 -7.677 1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.073 -8.557 2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.903 -8.897 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.429 -10.123 2.724 1.00 0.00 H new ATOM 1220 N CYS A 76 0.872 -7.840 -0.676 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.378 -8.341 -1.234 1.00 0.00 C ATOM 1222 C CYS A 76 -0.216 -9.776 -1.728 1.00 0.00 C ATOM 1223 O CYS A 76 0.878 -10.339 -1.687 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.844 -7.444 -2.382 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.929 -6.076 -1.863 1.00 0.00 S ATOM 0 H CYS A 76 1.665 -7.881 -1.316 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.130 -8.330 -0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.031 -7.030 -2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.372 -8.054 -3.115 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.314 -10.362 -2.196 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.295 -11.731 -2.697 1.00 0.00 C ATOM 1232 C PHE A 77 0.064 -12.069 -3.304 1.00 0.00 C ATOM 1233 O PHE A 77 0.833 -12.845 -2.737 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.396 -11.929 -3.741 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.713 -12.346 -3.152 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.895 -13.631 -2.667 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.769 -11.452 -3.083 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.106 -14.017 -2.123 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.982 -11.832 -2.540 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.151 -13.116 -2.061 1.00 0.00 C ATOM 0 H PHE A 77 -2.227 -9.910 -2.238 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.475 -12.402 -1.857 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.532 -11.000 -4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.073 -12.683 -4.459 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.081 -14.340 -2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.643 -10.447 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.235 -15.021 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.797 -11.125 -2.490 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.099 -13.415 -1.639 1.00 0.00 H new ATOM 1250 N ASP A 78 0.351 -11.482 -4.460 1.00 0.00 N ATOM 1251 CA ASP A 78 1.617 -11.720 -5.145 1.00 0.00 C ATOM 1252 C ASP A 78 2.351 -10.407 -5.401 1.00 0.00 C ATOM 1253 O ASP A 78 3.580 -10.372 -5.462 1.00 0.00 O ATOM 1254 CB ASP A 78 1.376 -12.451 -6.467 1.00 0.00 C ATOM 1255 CG ASP A 78 1.350 -13.957 -6.299 1.00 0.00 C ATOM 1256 OD1 ASP A 78 2.424 -14.546 -6.057 1.00 0.00 O ATOM 1257 OD2 ASP A 78 0.255 -14.547 -6.409 1.00 0.00 O ATOM 0 H ASP A 78 -0.275 -10.838 -4.943 1.00 0.00 H new ATOM 0 HA ASP A 78 2.239 -12.343 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.430 -12.120 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.158 -12.181 -7.176 1.00 0.00 H new ATOM 1262 N LYS A 79 1.589 -9.329 -5.552 1.00 0.00 N ATOM 1263 CA LYS A 79 2.166 -8.013 -5.802 1.00 0.00 C ATOM 1264 C LYS A 79 2.606 -7.356 -4.498 1.00 0.00 C ATOM 1265 O LYS A 79 2.046 -7.623 -3.435 1.00 0.00 O ATOM 1266 CB LYS A 79 1.153 -7.118 -6.520 1.00 0.00 C ATOM 1267 CG LYS A 79 1.197 -7.242 -8.033 1.00 0.00 C ATOM 1268 CD LYS A 79 0.250 -8.321 -8.532 1.00 0.00 C ATOM 1269 CE LYS A 79 0.940 -9.675 -8.611 1.00 0.00 C ATOM 1270 NZ LYS A 79 0.203 -10.621 -9.493 1.00 0.00 N ATOM 0 H LYS A 79 0.570 -9.341 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 79 3.042 -8.142 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.150 -7.367 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.338 -6.080 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.932 -6.286 -8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.214 -7.474 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.610 -8.388 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.130 -8.047 -9.516 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.955 -9.544 -8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.022 -10.100 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.704 -11.532 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.757 -10.766 -9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.147 -10.227 -10.454 1.00 0.00 H new ATOM 1284 N THR A 80 3.614 -6.493 -4.587 1.00 0.00 N ATOM 1285 CA THR A 80 4.130 -5.797 -3.414 1.00 0.00 C ATOM 1286 C THR A 80 4.327 -4.312 -3.699 1.00 0.00 C ATOM 1287 O THR A 80 4.551 -3.914 -4.842 1.00 0.00 O ATOM 1288 CB THR A 80 5.467 -6.401 -2.946 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.333 -6.602 -4.068 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.242 -7.723 -2.228 1.00 0.00 C ATOM 0 H THR A 80 4.089 -6.259 -5.459 1.00 0.00 H new ATOM 0 HA THR A 80 3.390 -5.917 -2.623 1.00 0.00 H new ATOM 0 HB THR A 80 5.932 -5.703 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.182 -6.985 -3.762 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.201 -8.130 -1.907 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.607 -7.561 -1.357 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.757 -8.427 -2.905 1.00 0.00 H new ATOM 1298 N PHE A 81 4.243 -3.498 -2.652 1.00 0.00 N ATOM 1299 CA PHE A 81 4.412 -2.056 -2.790 1.00 0.00 C ATOM 1300 C PHE A 81 5.121 -1.473 -1.571 1.00 0.00 C ATOM 1301 O PHE A 81 4.654 -1.616 -0.442 1.00 0.00 O ATOM 1302 CB PHE A 81 3.054 -1.377 -2.978 1.00 0.00 C ATOM 1303 CG PHE A 81 2.320 -1.834 -4.206 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.708 -3.076 -4.242 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.244 -1.020 -5.326 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.031 -3.499 -5.371 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.568 -1.438 -6.457 1.00 0.00 C ATOM 1308 CZ PHE A 81 0.963 -2.679 -6.480 1.00 0.00 C ATOM 0 H PHE A 81 4.059 -3.812 -1.699 1.00 0.00 H new ATOM 0 HA PHE A 81 5.028 -1.870 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.436 -1.571 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.201 -0.298 -3.032 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.760 -3.722 -3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.718 -0.050 -5.315 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.556 -4.469 -5.385 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.513 -0.794 -7.322 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.437 -3.008 -7.364 1.00 0.00 H new ATOM 1318 N GLU A 82 6.251 -0.815 -1.810 1.00 0.00 N ATOM 1319 CA GLU A 82 7.025 -0.211 -0.731 1.00 0.00 C ATOM 1320 C GLU A 82 6.889 1.308 -0.748 1.00 0.00 C ATOM 1321 O GLU A 82 7.204 1.959 -1.745 1.00 0.00 O ATOM 1322 CB GLU A 82 8.500 -0.603 -0.850 1.00 0.00 C ATOM 1323 CG GLU A 82 9.316 -0.287 0.392 1.00 0.00 C ATOM 1324 CD GLU A 82 10.664 -0.980 0.396 1.00 0.00 C ATOM 1325 OE1 GLU A 82 11.379 -0.894 -0.625 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.005 -1.609 1.420 1.00 0.00 O ATOM 0 H GLU A 82 6.651 -0.687 -2.740 1.00 0.00 H new ATOM 0 HA GLU A 82 6.632 -0.583 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.568 -1.671 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.937 -0.085 -1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.465 0.791 0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.755 -0.587 1.277 1.00 0.00 H new ATOM 1333 N ILE A 83 6.416 1.866 0.361 1.00 0.00 N ATOM 1334 CA ILE A 83 6.238 3.309 0.474 1.00 0.00 C ATOM 1335 C ILE A 83 6.946 3.855 1.709 1.00 0.00 C ATOM 1336 O ILE A 83 7.051 3.174 2.729 1.00 0.00 O ATOM 1337 CB ILE A 83 4.747 3.689 0.541 1.00 0.00 C ATOM 1338 CG1 ILE A 83 3.994 3.096 -0.652 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.587 5.201 0.577 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.536 2.814 -0.366 1.00 0.00 C ATOM 0 H ILE A 83 6.149 1.341 1.194 1.00 0.00 H new ATOM 0 HA ILE A 83 6.678 3.752 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 83 4.322 3.277 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.064 3.784 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.482 2.170 -0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.528 5.454 0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.095 5.600 1.455 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.024 5.635 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.065 2.395 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.457 2.102 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.033 3.741 -0.092 1.00 0.00 H new ATOM 1352 N SER A 84 7.429 5.089 1.611 1.00 0.00 N ATOM 1353 CA SER A 84 8.129 5.727 2.720 1.00 0.00 C ATOM 1354 C SER A 84 7.352 6.939 3.227 1.00 0.00 C ATOM 1355 O SER A 84 6.963 7.810 2.451 1.00 0.00 O ATOM 1356 CB SER A 84 9.533 6.152 2.287 1.00 0.00 C ATOM 1357 OG SER A 84 10.228 6.777 3.353 1.00 0.00 O ATOM 0 H SER A 84 7.349 5.667 0.775 1.00 0.00 H new ATOM 0 HA SER A 84 8.210 5.003 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.091 5.280 1.946 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.465 6.837 1.442 1.00 0.00 H new ATOM 0 HG SER A 84 10.331 7.733 3.161 1.00 0.00 H new ATOM 1363 N ALA A 85 7.131 6.985 4.537 1.00 0.00 N ATOM 1364 CA ALA A 85 6.403 8.090 5.150 1.00 0.00 C ATOM 1365 C ALA A 85 7.334 9.258 5.456 1.00 0.00 C ATOM 1366 O ALA A 85 8.540 9.076 5.627 1.00 0.00 O ATOM 1367 CB ALA A 85 5.706 7.622 6.419 1.00 0.00 C ATOM 0 H ALA A 85 7.445 6.271 5.194 1.00 0.00 H new ATOM 0 HA ALA A 85 5.651 8.435 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.166 8.457 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.004 6.825 6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.448 7.249 7.125 1.00 0.00 H new ATOM 1373 N SER A 86 6.768 10.459 5.522 1.00 0.00 N ATOM 1374 CA SER A 86 7.548 11.658 5.802 1.00 0.00 C ATOM 1375 C SER A 86 7.736 11.845 7.305 1.00 0.00 C ATOM 1376 O SER A 86 8.859 11.987 7.788 1.00 0.00 O ATOM 1377 CB SER A 86 6.864 12.889 5.205 1.00 0.00 C ATOM 1378 OG SER A 86 7.002 12.916 3.795 1.00 0.00 O ATOM 0 H SER A 86 5.771 10.627 5.385 1.00 0.00 H new ATOM 0 HA SER A 86 8.529 11.538 5.342 1.00 0.00 H new ATOM 0 HB2 SER A 86 5.807 12.886 5.470 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.297 13.793 5.633 1.00 0.00 H new ATOM 0 HG SER A 86 6.555 13.711 3.438 1.00 0.00 H new ATOM 1384 N ASP A 87 6.628 11.844 8.037 1.00 0.00 N ATOM 1385 CA ASP A 87 6.668 12.012 9.485 1.00 0.00 C ATOM 1386 C ASP A 87 5.883 10.906 10.183 1.00 0.00 C ATOM 1387 O ASP A 87 4.953 10.335 9.613 1.00 0.00 O ATOM 1388 CB ASP A 87 6.106 13.379 9.877 1.00 0.00 C ATOM 1389 CG ASP A 87 5.501 13.379 11.267 1.00 0.00 C ATOM 1390 OD1 ASP A 87 6.250 13.153 12.240 1.00 0.00 O ATOM 1391 OD2 ASP A 87 4.278 13.605 11.383 1.00 0.00 O ATOM 0 H ASP A 87 5.691 11.729 7.652 1.00 0.00 H new ATOM 0 HA ASP A 87 7.708 11.951 9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.902 14.123 9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.347 13.678 9.154 1.00 0.00 H new ATOM 1396 N LYS A 88 6.264 10.607 11.420 1.00 0.00 N ATOM 1397 CA LYS A 88 5.597 9.569 12.198 1.00 0.00 C ATOM 1398 C LYS A 88 4.083 9.662 12.042 1.00 0.00 C ATOM 1399 O LYS A 88 3.396 8.646 11.935 1.00 0.00 O ATOM 1400 CB LYS A 88 5.976 9.687 13.675 1.00 0.00 C ATOM 1401 CG LYS A 88 6.003 8.355 14.404 1.00 0.00 C ATOM 1402 CD LYS A 88 6.751 8.455 15.723 1.00 0.00 C ATOM 1403 CE LYS A 88 5.815 8.809 16.869 1.00 0.00 C ATOM 1404 NZ LYS A 88 6.548 9.408 18.019 1.00 0.00 N ATOM 0 H LYS A 88 7.032 11.069 11.906 1.00 0.00 H new ATOM 0 HA LYS A 88 5.925 8.600 11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.958 10.155 13.753 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.267 10.349 14.172 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.982 8.020 14.588 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.477 7.603 13.772 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.245 7.507 15.935 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.532 9.211 15.643 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.058 9.509 16.516 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.291 7.913 17.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.875 9.635 18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.253 8.730 18.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.028 10.277 17.710 1.00 0.00 H new ATOM 1418 N LYS A 89 3.568 10.887 12.027 1.00 0.00 N ATOM 1419 CA LYS A 89 2.135 11.113 11.882 1.00 0.00 C ATOM 1420 C LYS A 89 1.598 10.418 10.634 1.00 0.00 C ATOM 1421 O LYS A 89 0.711 9.569 10.717 1.00 0.00 O ATOM 1422 CB LYS A 89 1.839 12.613 11.810 1.00 0.00 C ATOM 1423 CG LYS A 89 0.363 12.949 11.925 1.00 0.00 C ATOM 1424 CD LYS A 89 0.139 14.446 12.055 1.00 0.00 C ATOM 1425 CE LYS A 89 -1.338 14.799 11.969 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.845 14.725 10.571 1.00 0.00 N ATOM 0 H LYS A 89 4.122 11.739 12.114 1.00 0.00 H new ATOM 0 HA LYS A 89 1.636 10.692 12.755 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.381 13.120 12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.220 13.005 10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.165 12.576 11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.060 12.441 12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.542 14.794 13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.685 14.966 11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.911 14.119 12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.494 15.805 12.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.443 15.553 10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.042 14.713 9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.405 13.857 10.450 1.00 0.00 H new ATOM 1440 N LYS A 90 2.143 10.783 9.479 1.00 0.00 N ATOM 1441 CA LYS A 90 1.722 10.193 8.214 1.00 0.00 C ATOM 1442 C LYS A 90 1.924 8.681 8.224 1.00 0.00 C ATOM 1443 O LYS A 90 1.002 7.919 7.933 1.00 0.00 O ATOM 1444 CB LYS A 90 2.502 10.814 7.053 1.00 0.00 C ATOM 1445 CG LYS A 90 1.858 12.068 6.488 1.00 0.00 C ATOM 1446 CD LYS A 90 2.893 13.005 5.887 1.00 0.00 C ATOM 1447 CE LYS A 90 3.620 13.796 6.963 1.00 0.00 C ATOM 1448 NZ LYS A 90 2.940 15.089 7.256 1.00 0.00 N ATOM 0 H LYS A 90 2.878 11.485 9.393 1.00 0.00 H new ATOM 0 HA LYS A 90 0.660 10.399 8.082 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.510 11.054 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.600 10.076 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.130 11.792 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.313 12.585 7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.614 12.429 5.308 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.405 13.692 5.196 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.678 13.201 7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.644 13.989 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.466 15.598 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.907 15.668 6.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.971 14.905 7.586 1.00 0.00 H new ATOM 1462 N LYS A 91 3.135 8.253 8.564 1.00 0.00 N ATOM 1463 CA LYS A 91 3.458 6.832 8.616 1.00 0.00 C ATOM 1464 C LYS A 91 2.328 6.041 9.267 1.00 0.00 C ATOM 1465 O LYS A 91 1.796 5.101 8.676 1.00 0.00 O ATOM 1466 CB LYS A 91 4.760 6.612 9.388 1.00 0.00 C ATOM 1467 CG LYS A 91 5.216 5.163 9.411 1.00 0.00 C ATOM 1468 CD LYS A 91 4.482 4.364 10.475 1.00 0.00 C ATOM 1469 CE LYS A 91 5.316 3.191 10.966 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.511 3.643 11.732 1.00 0.00 N ATOM 0 H LYS A 91 3.909 8.870 8.808 1.00 0.00 H new ATOM 0 HA LYS A 91 3.585 6.476 7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.544 7.224 8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.628 6.959 10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.046 4.712 8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.289 5.121 9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.237 5.014 11.315 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.539 3.997 10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.702 2.548 11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.636 2.591 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.370 3.246 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.562 4.682 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.436 3.317 12.717 1.00 0.00 H new ATOM 1484 N GLN A 92 1.965 6.429 10.485 1.00 0.00 N ATOM 1485 CA GLN A 92 0.898 5.755 11.215 1.00 0.00 C ATOM 1486 C GLN A 92 -0.440 5.927 10.503 1.00 0.00 C ATOM 1487 O GLN A 92 -1.013 4.962 9.998 1.00 0.00 O ATOM 1488 CB GLN A 92 0.804 6.300 12.641 1.00 0.00 C ATOM 1489 CG GLN A 92 -0.405 5.790 13.409 1.00 0.00 C ATOM 1490 CD GLN A 92 -0.203 4.390 13.954 1.00 0.00 C ATOM 1491 OE1 GLN A 92 -0.018 3.437 13.197 1.00 0.00 O ATOM 1492 NE2 GLN A 92 -0.236 4.259 15.275 1.00 0.00 N ATOM 0 H GLN A 92 2.394 7.206 10.987 1.00 0.00 H new ATOM 0 HA GLN A 92 1.134 4.692 11.255 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.709 6.030 13.185 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.767 7.389 12.603 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.619 6.469 14.234 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.276 5.799 12.754 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.392 5.076 15.865 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.105 3.341 15.700 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.933 7.161 10.469 1.00 0.00 N ATOM 1502 CA GLU A 93 -2.204 7.458 9.820 1.00 0.00 C ATOM 1503 C GLU A 93 -2.382 6.614 8.561 1.00 0.00 C ATOM 1504 O GLU A 93 -3.448 6.044 8.328 1.00 0.00 O ATOM 1505 CB GLU A 93 -2.288 8.944 9.467 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.557 9.840 10.665 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.327 11.093 10.296 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -3.984 11.093 9.233 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.273 12.072 11.068 1.00 0.00 O ATOM 0 H GLU A 93 -0.471 7.971 10.883 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.005 7.213 10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.353 9.251 8.997 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.078 9.090 8.730 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.118 9.281 11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.609 10.122 11.123 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.331 6.541 7.752 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.371 5.768 6.516 1.00 0.00 C ATOM 1518 C TRP A 94 -1.607 4.290 6.805 1.00 0.00 C ATOM 1519 O TRP A 94 -2.637 3.731 6.427 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.067 5.946 5.736 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.101 7.097 4.776 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.421 8.344 4.973 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.690 7.107 3.471 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.192 9.128 3.868 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.487 8.393 2.933 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.366 6.155 2.704 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -0.938 8.748 1.664 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -1.814 6.509 1.446 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.597 7.796 0.935 1.00 0.00 C ATOM 0 H TRP A 94 -0.441 7.007 7.930 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.200 6.138 5.913 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.752 6.094 6.440 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.147 5.030 5.186 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.937 8.666 5.865 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.481 10.100 3.761 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.535 5.160 3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -0.773 9.740 1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.340 5.782 0.846 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -1.957 8.041 -0.053 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.647 3.663 7.477 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.753 2.249 7.818 1.00 0.00 C ATOM 1542 C ILE A 95 -2.108 1.934 8.441 1.00 0.00 C ATOM 1543 O ILE A 95 -2.805 1.019 8.002 1.00 0.00 O ATOM 1544 CB ILE A 95 0.360 1.821 8.792 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.732 1.968 8.131 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.138 0.388 9.252 1.00 0.00 C ATOM 1547 CD1 ILE A 95 2.858 1.354 8.933 1.00 0.00 C ATOM 0 H ILE A 95 0.212 4.111 7.796 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.645 1.691 6.888 1.00 0.00 H new ATOM 0 HB ILE A 95 0.328 2.472 9.666 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.703 1.503 7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.941 3.027 7.978 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.933 0.099 9.940 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.825 0.313 9.758 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.147 -0.277 8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.801 1.496 8.404 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.914 1.835 9.909 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.672 0.288 9.064 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.475 2.698 9.464 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.749 2.500 10.146 1.00 0.00 C ATOM 1561 C GLN A 96 -4.910 2.561 9.160 1.00 0.00 C ATOM 1562 O GLN A 96 -5.810 1.723 9.193 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.935 3.554 11.239 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.130 3.275 12.497 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.737 3.911 13.732 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -3.960 5.121 13.776 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -4.010 3.096 14.744 1.00 0.00 N ATOM 0 H GLN A 96 -1.909 3.459 9.839 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.738 1.511 10.603 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.650 4.529 10.844 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.992 3.612 11.500 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.058 2.198 12.646 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.114 3.647 12.364 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.809 2.099 14.665 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.421 3.467 15.601 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.883 3.560 8.283 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.933 3.729 7.287 1.00 0.00 C ATOM 1578 C ALA A 97 -6.018 2.517 6.366 1.00 0.00 C ATOM 1579 O ALA A 97 -7.075 1.900 6.232 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.691 4.994 6.476 1.00 0.00 C ATOM 0 H ALA A 97 -4.146 4.264 8.243 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.885 3.821 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.483 5.108 5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.689 5.858 7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.728 4.923 5.970 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.899 2.180 5.734 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.847 1.040 4.827 1.00 0.00 C ATOM 1588 C ILE A 98 -5.275 -0.243 5.531 1.00 0.00 C ATOM 1589 O ILE A 98 -6.156 -0.960 5.056 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.434 0.847 4.246 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.943 2.144 3.599 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.428 -0.290 3.235 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.436 2.248 3.524 1.00 0.00 C ATOM 0 H ILE A 98 -4.016 2.680 5.833 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.540 1.253 4.013 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.755 0.589 5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.355 2.217 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.330 2.992 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.422 -0.414 2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.740 -1.213 3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.117 -0.058 2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.159 3.192 3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.018 2.207 4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.043 1.420 2.934 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.646 -0.525 6.668 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.964 -1.721 7.440 1.00 0.00 C ATOM 1607 C HIS A 99 -6.468 -1.841 7.663 1.00 0.00 C ATOM 1608 O HIS A 99 -7.068 -2.877 7.378 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.238 -1.693 8.785 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.939 -3.055 9.333 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.688 -3.431 9.774 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.739 -4.132 9.513 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.731 -4.681 10.199 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -3.965 -5.129 10.052 1.00 0.00 N ATOM 0 H HIS A 99 -3.914 0.058 7.075 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.629 -2.589 6.872 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.304 -1.142 8.673 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.846 -1.146 9.505 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.791 -4.195 9.276 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.899 -5.241 10.599 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.290 -6.064 10.299 1.00 0.00 H new ATOM 1623 N SER A 100 -7.072 -0.773 8.175 1.00 0.00 N ATOM 1624 CA SER A 100 -8.506 -0.760 8.441 1.00 0.00 C ATOM 1625 C SER A 100 -9.298 -0.997 7.159 1.00 0.00 C ATOM 1626 O SER A 100 -10.185 -1.850 7.112 1.00 0.00 O ATOM 1627 CB SER A 100 -8.917 0.573 9.069 1.00 0.00 C ATOM 1628 OG SER A 100 -10.317 0.772 8.973 1.00 0.00 O ATOM 0 H SER A 100 -6.591 0.094 8.414 1.00 0.00 H new ATOM 0 HA SER A 100 -8.729 -1.567 9.139 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.615 0.594 10.116 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.395 1.390 8.570 1.00 0.00 H new ATOM 0 HG SER A 100 -10.554 1.630 9.383 1.00 0.00 H new ATOM 1634 N THR A 101 -8.972 -0.236 6.119 1.00 0.00 N ATOM 1635 CA THR A 101 -9.652 -0.361 4.837 1.00 0.00 C ATOM 1636 C THR A 101 -9.755 -1.821 4.409 1.00 0.00 C ATOM 1637 O THR A 101 -10.753 -2.236 3.821 1.00 0.00 O ATOM 1638 CB THR A 101 -8.927 0.435 3.736 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.747 1.794 4.151 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.713 0.397 2.434 1.00 0.00 C ATOM 0 H THR A 101 -8.240 0.474 6.140 1.00 0.00 H new ATOM 0 HA THR A 101 -10.654 0.047 4.970 1.00 0.00 H new ATOM 0 HB THR A 101 -7.953 -0.025 3.568 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.941 1.863 4.704 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.181 0.966 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.823 -0.636 2.105 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.699 0.834 2.591 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.716 -2.594 4.708 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.691 -4.008 4.355 1.00 0.00 C ATOM 1650 C ILE A 102 -9.580 -4.823 5.289 1.00 0.00 C ATOM 1651 O ILE A 102 -10.372 -5.654 4.841 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.260 -4.575 4.403 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.362 -3.836 3.407 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.271 -6.067 4.108 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.894 -3.886 3.766 1.00 0.00 C ATOM 0 H ILE A 102 -7.881 -2.265 5.193 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.070 -4.086 3.336 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.859 -4.426 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.500 -4.268 2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.678 -2.795 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.252 -6.453 4.146 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.881 -6.580 4.851 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.687 -6.239 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.318 -3.342 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.743 -3.428 4.743 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.562 -4.924 3.796 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.444 -4.580 6.588 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.237 -5.290 7.586 1.00 0.00 C ATOM 1669 C HIS A 103 -11.707 -5.337 7.179 1.00 0.00 C ATOM 1670 O HIS A 103 -12.366 -6.369 7.312 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.095 -4.619 8.953 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.020 -5.175 9.991 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.369 -5.280 10.010 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.579 -5.704 11.186 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.716 -5.866 11.203 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.617 -6.113 11.894 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.792 -3.897 6.975 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.863 -6.312 7.651 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.067 -4.729 9.298 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.283 -3.551 8.846 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.546 -5.773 11.495 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.723 -6.089 11.524 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.577 -6.546 12.817 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.214 -4.213 6.684 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.607 -4.125 6.259 1.00 0.00 C ATOM 1687 C LEU A 104 -13.927 -5.195 5.220 1.00 0.00 C ATOM 1688 O LEU A 104 -15.045 -5.711 5.168 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.899 -2.738 5.685 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.512 -1.551 6.569 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.572 -0.254 5.778 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.418 -1.477 7.789 1.00 0.00 C ATOM 0 H LEU A 104 -11.682 -3.351 6.567 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.239 -4.291 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.376 -2.643 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.966 -2.673 5.470 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.487 -1.696 6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.294 0.579 6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.881 -0.308 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.585 -0.102 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.128 -0.627 8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.452 -1.356 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.323 -2.395 8.369 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.940 -5.526 4.395 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.115 -6.537 3.358 1.00 0.00 C ATOM 1706 C LEU A 105 -13.095 -7.940 3.956 1.00 0.00 C ATOM 1707 O LEU A 105 -13.802 -8.834 3.492 1.00 0.00 O ATOM 1708 CB LEU A 105 -12.018 -6.405 2.300 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.153 -5.225 1.337 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.803 -4.875 0.730 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.165 -5.540 0.245 1.00 0.00 C ATOM 0 H LEU A 105 -12.010 -5.109 4.424 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.086 -6.377 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.058 -6.324 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.993 -7.324 1.715 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.511 -4.362 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.918 -4.033 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.106 -4.606 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.416 -5.735 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.248 -4.689 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.836 -6.416 -0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.137 -5.741 0.696 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.282 -8.125 4.990 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.171 -9.418 5.655 1.00 0.00 C ATOM 1725 C LYS A 106 -13.534 -9.894 6.148 1.00 0.00 C ATOM 1726 O LYS A 106 -13.858 -11.079 6.059 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.195 -9.328 6.831 1.00 0.00 C ATOM 1728 CG LYS A 106 -9.796 -8.893 6.428 1.00 0.00 C ATOM 1729 CD LYS A 106 -8.914 -8.659 7.642 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.694 -7.821 7.292 1.00 0.00 C ATOM 1731 NZ LYS A 106 -6.783 -7.652 8.458 1.00 0.00 N ATOM 0 H LYS A 106 -11.690 -7.395 5.386 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.793 -10.140 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.588 -8.625 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.137 -10.300 7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.346 -9.655 5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.854 -7.979 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.490 -8.158 8.420 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.593 -9.617 8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.152 -8.294 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.016 -6.842 6.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.964 -7.075 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.293 -7.178 9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.455 -8.585 8.781 1.00 0.00 H new