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 69 LYS NZ :NH3+ -169:sc= 0.507 (180deg=0.451) USER MOD Set 1.2: A 70 CYS SG : rot 150:sc= -0.365 USER MOD Set 2.1: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 47 LYS NZ :NH3+ -125:sc= -0.0164 (180deg=-0.627) USER MOD Set 3.1: A 13 TYR OH : rot 5:sc= 0.494 USER MOD Set 3.2: A 41 SER OG : rot 180:sc= 0.547 USER MOD Single : A 10 LYS NZ :NH3+ 151:sc= -0.402 (180deg=-1.89!) USER MOD Single : A 11 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.63) USER MOD Single : A 14 MET CE :methyl -175:sc= -5.35! (180deg=-5.51!) USER MOD Single : A 15 MET CE :methyl -132:sc= -0.719 (180deg=-3.09!) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= 1.08! (180deg=0.192) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.0361 (180deg=-0.294) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.899 K(o=-0.9,f=-1.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.15 X(o=-2.2,f=-1.8) USER MOD Single : A 58 CYS SG : rot 180:sc= -0.0283 USER MOD Single : A 61 SER OG : rot 16:sc= 0.339! USER MOD Single : A 65 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.357) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.13) 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 84 SER OG : rot -120:sc= -0.0535 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 156:sc= -0.0699 (180deg=-0.381) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.0744 K(o=-0.074,f=-1.9!) USER MOD Single : A 96 GLN : amide:sc= -0.0291 X(o=-0.029,f=-0.48) USER MOD Single : A 99 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 86:sc= 1.32 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -1.08 F(o=-2.9!,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -11.717 8.492 -2.103 1.00 0.00 N ATOM 67 CA VAL A 8 -10.387 8.462 -1.505 1.00 0.00 C ATOM 68 C VAL A 8 -10.435 8.872 -0.038 1.00 0.00 C ATOM 69 O VAL A 8 -10.991 9.915 0.309 1.00 0.00 O ATOM 70 CB VAL A 8 -9.414 9.390 -2.255 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.058 10.744 -2.513 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.119 9.548 -1.473 1.00 0.00 C ATOM 0 HA VAL A 8 -10.029 7.435 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.178 8.937 -3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.355 11.386 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.955 10.611 -3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.326 11.207 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.443 10.207 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.335 9.978 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.650 8.572 -1.345 1.00 0.00 H new ATOM 82 N LEU A 9 -9.847 8.046 0.821 1.00 0.00 N ATOM 83 CA LEU A 9 -9.822 8.322 2.253 1.00 0.00 C ATOM 84 C LEU A 9 -8.633 9.207 2.616 1.00 0.00 C ATOM 85 O LEU A 9 -8.796 10.268 3.218 1.00 0.00 O ATOM 86 CB LEU A 9 -9.758 7.014 3.044 1.00 0.00 C ATOM 87 CG LEU A 9 -10.592 5.856 2.494 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.244 4.560 3.210 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.078 6.159 2.627 1.00 0.00 C ATOM 0 H LEU A 9 -9.381 7.180 0.550 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.739 8.852 2.512 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.717 6.694 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.080 7.214 4.066 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.359 5.736 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.847 3.747 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.188 4.336 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.447 4.667 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.656 5.324 2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.327 6.306 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.316 7.064 2.068 1.00 0.00 H new ATOM 101 N LYS A 10 -7.437 8.764 2.243 1.00 0.00 N ATOM 102 CA LYS A 10 -6.220 9.516 2.525 1.00 0.00 C ATOM 103 C LYS A 10 -5.519 9.920 1.232 1.00 0.00 C ATOM 104 O LYS A 10 -5.704 9.289 0.192 1.00 0.00 O ATOM 105 CB LYS A 10 -5.273 8.686 3.394 1.00 0.00 C ATOM 106 CG LYS A 10 -4.416 9.521 4.330 1.00 0.00 C ATOM 107 CD LYS A 10 -3.408 8.665 5.077 1.00 0.00 C ATOM 108 CE LYS A 10 -2.344 9.517 5.751 1.00 0.00 C ATOM 109 NZ LYS A 10 -2.937 10.483 6.716 1.00 0.00 N ATOM 0 H LYS A 10 -7.285 7.887 1.744 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.498 10.421 3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.859 7.981 3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.622 8.097 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.891 10.287 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.055 10.039 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.924 8.065 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.934 7.971 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.637 8.871 6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.780 10.061 4.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.253 10.680 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.171 11.368 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.802 10.077 7.127 1.00 0.00 H new ATOM 123 N GLN A 11 -4.712 10.974 1.307 1.00 0.00 N ATOM 124 CA GLN A 11 -3.982 11.460 0.142 1.00 0.00 C ATOM 125 C GLN A 11 -2.774 12.290 0.564 1.00 0.00 C ATOM 126 O GLN A 11 -2.865 13.124 1.464 1.00 0.00 O ATOM 127 CB GLN A 11 -4.902 12.295 -0.751 1.00 0.00 C ATOM 128 CG GLN A 11 -5.493 13.507 -0.050 1.00 0.00 C ATOM 129 CD GLN A 11 -5.776 14.652 -1.003 1.00 0.00 C ATOM 130 OE1 GLN A 11 -5.185 15.726 -0.894 1.00 0.00 O ATOM 131 NE2 GLN A 11 -6.684 14.426 -1.946 1.00 0.00 N ATOM 0 H GLN A 11 -4.547 11.507 2.161 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.628 10.596 -0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.342 12.628 -1.625 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.713 11.664 -1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.418 13.218 0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.805 13.846 0.724 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.149 13.520 -1.999 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.916 15.159 -2.617 1.00 0.00 H new ATOM 140 N GLY A 12 -1.642 12.055 -0.093 1.00 0.00 N ATOM 141 CA GLY A 12 -0.432 12.788 0.229 1.00 0.00 C ATOM 142 C GLY A 12 0.751 12.353 -0.614 1.00 0.00 C ATOM 143 O GLY A 12 0.721 11.292 -1.238 1.00 0.00 O ATOM 0 H GLY A 12 -1.542 11.370 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.607 13.854 0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.195 12.646 1.283 1.00 0.00 H new ATOM 147 N TYR A 13 1.795 13.175 -0.634 1.00 0.00 N ATOM 148 CA TYR A 13 2.991 12.871 -1.410 1.00 0.00 C ATOM 149 C TYR A 13 3.850 11.828 -0.701 1.00 0.00 C ATOM 150 O TYR A 13 4.508 12.124 0.296 1.00 0.00 O ATOM 151 CB TYR A 13 3.806 14.143 -1.648 1.00 0.00 C ATOM 152 CG TYR A 13 3.360 14.931 -2.859 1.00 0.00 C ATOM 153 CD1 TYR A 13 3.284 14.334 -4.111 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.015 16.272 -2.751 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.877 15.050 -5.220 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.606 16.996 -3.854 1.00 0.00 C ATOM 157 CZ TYR A 13 2.539 16.381 -5.087 1.00 0.00 C ATOM 158 OH TYR A 13 2.132 17.097 -6.189 1.00 0.00 O ATOM 0 H TYR A 13 1.837 14.056 -0.122 1.00 0.00 H new ATOM 0 HA TYR A 13 2.676 12.464 -2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.737 14.779 -0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.856 13.875 -1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.548 13.292 -4.219 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.067 16.757 -1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.824 14.570 -6.186 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.340 18.038 -3.752 1.00 0.00 H new ATOM 0 HH TYR A 13 2.059 16.497 -6.960 1.00 0.00 H new ATOM 168 N MET A 14 3.839 10.607 -1.225 1.00 0.00 N ATOM 169 CA MET A 14 4.618 9.520 -0.644 1.00 0.00 C ATOM 170 C MET A 14 5.642 8.991 -1.643 1.00 0.00 C ATOM 171 O MET A 14 5.430 9.050 -2.854 1.00 0.00 O ATOM 172 CB MET A 14 3.694 8.385 -0.195 1.00 0.00 C ATOM 173 CG MET A 14 2.737 8.785 0.916 1.00 0.00 C ATOM 174 SD MET A 14 2.129 7.369 1.852 1.00 0.00 S ATOM 175 CE MET A 14 1.130 6.547 0.612 1.00 0.00 C ATOM 0 H MET A 14 3.300 10.346 -2.050 1.00 0.00 H new ATOM 0 HA MET A 14 5.150 9.911 0.223 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.118 8.036 -1.052 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.301 7.546 0.144 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.241 9.474 1.594 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.891 9.322 0.486 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.614 5.700 1.064 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.397 7.248 0.213 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.771 6.193 -0.196 1.00 0.00 H new ATOM 185 N MET A 15 6.754 8.476 -1.128 1.00 0.00 N ATOM 186 CA MET A 15 7.810 7.937 -1.976 1.00 0.00 C ATOM 187 C MET A 15 7.794 6.412 -1.962 1.00 0.00 C ATOM 188 O MET A 15 7.867 5.789 -0.902 1.00 0.00 O ATOM 189 CB MET A 15 9.176 8.448 -1.512 1.00 0.00 C ATOM 190 CG MET A 15 9.290 9.964 -1.511 1.00 0.00 C ATOM 191 SD MET A 15 10.968 10.534 -1.184 1.00 0.00 S ATOM 192 CE MET A 15 11.630 10.608 -2.847 1.00 0.00 C ATOM 0 H MET A 15 6.947 8.421 -0.128 1.00 0.00 H new ATOM 0 HA MET A 15 7.630 8.275 -2.996 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.371 8.077 -0.506 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.949 8.034 -2.160 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.961 10.350 -2.476 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.618 10.374 -0.758 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.602 10.115 -2.874 1.00 0.00 H new ATOM 0 HE2 MET A 15 10.948 10.105 -3.533 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.743 11.650 -3.147 1.00 0.00 H new ATOM 202 N LYS A 16 7.696 5.815 -3.145 1.00 0.00 N ATOM 203 CA LYS A 16 7.670 4.362 -3.269 1.00 0.00 C ATOM 204 C LYS A 16 8.938 3.852 -3.947 1.00 0.00 C ATOM 205 O LYS A 16 9.425 4.450 -4.907 1.00 0.00 O ATOM 206 CB LYS A 16 6.440 3.920 -4.065 1.00 0.00 C ATOM 207 CG LYS A 16 6.543 2.505 -4.608 1.00 0.00 C ATOM 208 CD LYS A 16 5.177 1.942 -4.961 1.00 0.00 C ATOM 209 CE LYS A 16 4.770 2.314 -6.378 1.00 0.00 C ATOM 210 NZ LYS A 16 4.101 3.644 -6.432 1.00 0.00 N ATOM 0 H LYS A 16 7.633 6.315 -4.032 1.00 0.00 H new ATOM 0 HA LYS A 16 7.618 3.937 -2.267 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.559 3.992 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.289 4.609 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.179 2.499 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.021 1.864 -3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.192 0.857 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.434 2.318 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.652 2.325 -7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.098 1.553 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.575 3.732 -7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.442 3.734 -5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.818 4.396 -6.376 1.00 0.00 H new ATOM 224 N LYS A 17 9.467 2.742 -3.443 1.00 0.00 N ATOM 225 CA LYS A 17 10.677 2.149 -4.001 1.00 0.00 C ATOM 226 C LYS A 17 10.347 1.274 -5.207 1.00 0.00 C ATOM 227 O LYS A 17 9.675 0.252 -5.079 1.00 0.00 O ATOM 228 CB LYS A 17 11.400 1.319 -2.938 1.00 0.00 C ATOM 229 CG LYS A 17 12.877 1.115 -3.226 1.00 0.00 C ATOM 230 CD LYS A 17 13.653 0.793 -1.960 1.00 0.00 C ATOM 231 CE LYS A 17 13.386 -0.628 -1.489 1.00 0.00 C ATOM 232 NZ LYS A 17 13.948 -1.638 -2.428 1.00 0.00 N ATOM 0 H LYS A 17 9.077 2.235 -2.649 1.00 0.00 H new ATOM 0 HA LYS A 17 11.331 2.958 -4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.291 1.809 -1.971 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.916 0.346 -2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.000 0.305 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.286 2.014 -3.686 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.720 0.922 -2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.377 1.496 -1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 17 13.821 -0.770 -0.500 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.311 -0.782 -1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.007 -2.560 -1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.332 -1.718 -3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.899 -1.342 -2.728 1.00 0.00 H new ATOM 355 N TRP A 24 13.851 6.189 -4.727 1.00 0.00 N ATOM 356 CA TRP A 24 12.642 6.733 -4.118 1.00 0.00 C ATOM 357 C TRP A 24 12.182 7.989 -4.851 1.00 0.00 C ATOM 358 O TRP A 24 12.951 8.934 -5.028 1.00 0.00 O ATOM 359 CB TRP A 24 12.887 7.050 -2.642 1.00 0.00 C ATOM 360 CG TRP A 24 13.182 5.836 -1.815 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.409 5.286 -1.575 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.231 5.021 -1.121 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.278 4.177 -0.773 1.00 0.00 N ATOM 364 CE2 TRP A 24 12.952 3.994 -0.480 1.00 0.00 C ATOM 365 CE3 TRP A 24 10.842 5.059 -0.977 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.329 3.016 0.291 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.225 4.087 -0.212 1.00 0.00 C ATOM 368 CH2 TRP A 24 10.968 3.078 0.414 1.00 0.00 C ATOM 0 HA TRP A 24 11.857 5.981 -4.195 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.721 7.747 -2.561 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.010 7.553 -2.235 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.344 5.666 -1.959 1.00 0.00 H new ATOM 0 HE1 TRP A 24 15.044 3.586 -0.449 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.261 5.834 -1.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.900 2.237 0.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.152 4.106 -0.095 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.456 2.334 1.006 1.00 0.00 H new ATOM 379 N THR A 25 10.922 7.993 -5.276 1.00 0.00 N ATOM 380 CA THR A 25 10.360 9.132 -5.990 1.00 0.00 C ATOM 381 C THR A 25 9.041 9.575 -5.368 1.00 0.00 C ATOM 382 O THR A 25 8.183 8.749 -5.058 1.00 0.00 O ATOM 383 CB THR A 25 10.129 8.804 -7.477 1.00 0.00 C ATOM 384 OG1 THR A 25 9.397 7.579 -7.601 1.00 0.00 O ATOM 385 CG2 THR A 25 11.453 8.687 -8.218 1.00 0.00 C ATOM 0 H THR A 25 10.272 7.219 -5.138 1.00 0.00 H new ATOM 0 HA THR A 25 11.085 9.942 -5.912 1.00 0.00 H new ATOM 0 HB THR A 25 9.554 9.617 -7.920 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.253 7.379 -8.549 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.264 8.455 -9.266 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.994 9.630 -8.147 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.050 7.892 -7.772 1.00 0.00 H new ATOM 393 N GLU A 26 8.885 10.883 -5.190 1.00 0.00 N ATOM 394 CA GLU A 26 7.669 11.434 -4.604 1.00 0.00 C ATOM 395 C GLU A 26 6.485 11.270 -5.553 1.00 0.00 C ATOM 396 O GLU A 26 6.332 12.031 -6.508 1.00 0.00 O ATOM 397 CB GLU A 26 7.864 12.913 -4.265 1.00 0.00 C ATOM 398 CG GLU A 26 6.579 13.623 -3.874 1.00 0.00 C ATOM 399 CD GLU A 26 6.825 15.012 -3.319 1.00 0.00 C ATOM 400 OE1 GLU A 26 6.978 15.955 -4.124 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.865 15.157 -2.079 1.00 0.00 O ATOM 0 H GLU A 26 9.585 11.580 -5.443 1.00 0.00 H new ATOM 0 HA GLU A 26 7.457 10.884 -3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.579 12.998 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.302 13.419 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.928 13.694 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.051 13.027 -3.130 1.00 0.00 H new ATOM 408 N ARG A 27 5.652 10.271 -5.283 1.00 0.00 N ATOM 409 CA ARG A 27 4.483 10.005 -6.113 1.00 0.00 C ATOM 410 C ARG A 27 3.197 10.164 -5.308 1.00 0.00 C ATOM 411 O ARG A 27 3.102 9.699 -4.173 1.00 0.00 O ATOM 412 CB ARG A 27 4.558 8.594 -6.701 1.00 0.00 C ATOM 413 CG ARG A 27 3.272 8.146 -7.375 1.00 0.00 C ATOM 414 CD ARG A 27 3.273 8.485 -8.858 1.00 0.00 C ATOM 415 NE ARG A 27 2.050 8.041 -9.521 1.00 0.00 N ATOM 416 CZ ARG A 27 1.912 7.977 -10.841 1.00 0.00 C ATOM 417 NH1 ARG A 27 2.916 8.326 -11.634 1.00 0.00 N ATOM 418 NH2 ARG A 27 0.768 7.562 -11.370 1.00 0.00 N ATOM 0 H ARG A 27 5.765 9.632 -4.496 1.00 0.00 H new ATOM 0 HA ARG A 27 4.474 10.730 -6.927 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.371 8.554 -7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.805 7.891 -5.906 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.148 7.071 -7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.421 8.625 -6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.383 9.562 -8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.134 8.019 -9.336 1.00 0.00 H new ATOM 0 HE ARG A 27 1.259 7.765 -8.939 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.797 8.645 -11.231 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.807 8.276 -12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.006 7.292 -10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.663 7.513 -12.383 1.00 0.00 H new ATOM 432 N TRP A 28 2.210 10.824 -5.904 1.00 0.00 N ATOM 433 CA TRP A 28 0.930 11.045 -5.242 1.00 0.00 C ATOM 434 C TRP A 28 0.169 9.734 -5.077 1.00 0.00 C ATOM 435 O TRP A 28 -0.045 9.004 -6.045 1.00 0.00 O ATOM 436 CB TRP A 28 0.086 12.042 -6.038 1.00 0.00 C ATOM 437 CG TRP A 28 -1.075 12.590 -5.264 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.401 12.401 -5.532 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.013 13.416 -4.097 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.167 13.061 -4.602 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.340 13.690 -3.710 1.00 0.00 C ATOM 442 CE3 TRP A 28 0.033 13.950 -3.340 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -2.644 14.475 -2.601 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.271 14.729 -2.240 1.00 0.00 C ATOM 445 CH2 TRP A 28 -1.600 14.985 -1.878 1.00 0.00 C ATOM 0 H TRP A 28 2.272 11.215 -6.844 1.00 0.00 H new ATOM 0 HA TRP A 28 1.128 11.456 -4.252 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.720 12.868 -6.361 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.285 11.554 -6.939 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.790 11.818 -6.354 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.187 13.080 -4.580 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.061 13.757 -3.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.668 14.674 -2.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.530 15.148 -1.649 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.805 15.597 -1.012 1.00 0.00 H new ATOM 456 N PHE A 29 -0.238 9.442 -3.846 1.00 0.00 N ATOM 457 CA PHE A 29 -0.975 8.218 -3.555 1.00 0.00 C ATOM 458 C PHE A 29 -2.415 8.531 -3.161 1.00 0.00 C ATOM 459 O PHE A 29 -2.694 9.564 -2.551 1.00 0.00 O ATOM 460 CB PHE A 29 -0.286 7.437 -2.434 1.00 0.00 C ATOM 461 CG PHE A 29 0.790 6.510 -2.923 1.00 0.00 C ATOM 462 CD1 PHE A 29 2.082 6.969 -3.119 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.508 5.179 -3.188 1.00 0.00 C ATOM 464 CE1 PHE A 29 3.075 6.118 -3.568 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.496 4.324 -3.637 1.00 0.00 C ATOM 466 CZ PHE A 29 2.781 4.794 -3.829 1.00 0.00 C ATOM 0 H PHE A 29 -0.070 10.036 -3.034 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.988 7.608 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.148 8.142 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.034 6.859 -1.892 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.317 8.004 -2.919 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.495 4.806 -3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.079 6.488 -3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.264 3.289 -3.838 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.554 4.128 -4.182 1.00 0.00 H new ATOM 476 N VAL A 30 -3.328 7.632 -3.514 1.00 0.00 N ATOM 477 CA VAL A 30 -4.740 7.810 -3.197 1.00 0.00 C ATOM 478 C VAL A 30 -5.316 6.565 -2.532 1.00 0.00 C ATOM 479 O VAL A 30 -5.725 5.620 -3.208 1.00 0.00 O ATOM 480 CB VAL A 30 -5.562 8.132 -4.459 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.030 8.317 -4.108 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.011 9.369 -5.152 1.00 0.00 C ATOM 0 H VAL A 30 -3.115 6.772 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.805 8.650 -2.506 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.482 7.291 -5.148 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.595 8.544 -5.012 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.415 7.401 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.134 9.139 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.604 9.582 -6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.059 10.219 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.975 9.193 -5.440 1.00 0.00 H new ATOM 492 N LEU A 31 -5.345 6.570 -1.204 1.00 0.00 N ATOM 493 CA LEU A 31 -5.872 5.441 -0.446 1.00 0.00 C ATOM 494 C LEU A 31 -7.390 5.357 -0.577 1.00 0.00 C ATOM 495 O LEU A 31 -8.124 6.032 0.146 1.00 0.00 O ATOM 496 CB LEU A 31 -5.482 5.564 1.028 1.00 0.00 C ATOM 497 CG LEU A 31 -6.122 4.551 1.978 1.00 0.00 C ATOM 498 CD1 LEU A 31 -5.701 3.136 1.613 1.00 0.00 C ATOM 499 CD2 LEU A 31 -5.750 4.864 3.420 1.00 0.00 C ATOM 0 H LEU A 31 -5.010 7.343 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.440 4.528 -0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.399 5.471 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.741 6.566 1.369 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.205 4.623 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.166 2.429 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.018 2.914 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.617 3.050 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.214 4.133 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.667 4.821 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.102 5.863 3.678 1.00 0.00 H new ATOM 511 N LYS A 32 -7.854 4.524 -1.502 1.00 0.00 N ATOM 512 CA LYS A 32 -9.284 4.349 -1.726 1.00 0.00 C ATOM 513 C LYS A 32 -9.895 3.444 -0.661 1.00 0.00 C ATOM 514 O LYS A 32 -9.196 2.717 0.046 1.00 0.00 O ATOM 515 CB LYS A 32 -9.534 3.759 -3.116 1.00 0.00 C ATOM 516 CG LYS A 32 -9.671 4.807 -4.206 1.00 0.00 C ATOM 517 CD LYS A 32 -11.001 5.537 -4.114 1.00 0.00 C ATOM 518 CE LYS A 32 -11.083 6.674 -5.121 1.00 0.00 C ATOM 519 NZ LYS A 32 -12.466 7.216 -5.235 1.00 0.00 N ATOM 0 H LYS A 32 -7.260 3.959 -2.109 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.759 5.328 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.713 3.088 -3.370 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.441 3.156 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.855 5.525 -4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.583 4.331 -5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.816 4.835 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.132 5.932 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.403 7.473 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.750 6.320 -6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.480 7.989 -5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.111 6.461 -5.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.774 7.578 -4.310 1.00 0.00 H new ATOM 533 N PRO A 33 -11.230 3.487 -0.541 1.00 0.00 N ATOM 534 CA PRO A 33 -11.964 2.676 0.435 1.00 0.00 C ATOM 535 C PRO A 33 -11.945 1.192 0.086 1.00 0.00 C ATOM 536 O PRO A 33 -12.069 0.338 0.962 1.00 0.00 O ATOM 537 CB PRO A 33 -13.390 3.227 0.352 1.00 0.00 C ATOM 538 CG PRO A 33 -13.495 3.804 -1.017 1.00 0.00 C ATOM 539 CD PRO A 33 -12.126 4.331 -1.350 1.00 0.00 C ATOM 0 HA PRO A 33 -11.525 2.739 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.128 2.440 0.507 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.567 3.985 1.115 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.808 3.047 -1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.238 4.601 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.909 4.242 -2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.027 5.385 -1.091 1.00 0.00 H new ATOM 547 N ASN A 34 -11.788 0.893 -1.199 1.00 0.00 N ATOM 548 CA ASN A 34 -11.753 -0.489 -1.663 1.00 0.00 C ATOM 549 C ASN A 34 -10.616 -0.701 -2.658 1.00 0.00 C ATOM 550 O ASN A 34 -10.679 -1.588 -3.509 1.00 0.00 O ATOM 551 CB ASN A 34 -13.088 -0.866 -2.310 1.00 0.00 C ATOM 552 CG ASN A 34 -14.182 -1.098 -1.286 1.00 0.00 C ATOM 553 OD1 ASN A 34 -13.957 -0.974 -0.082 1.00 0.00 O ATOM 554 ND2 ASN A 34 -15.374 -1.438 -1.761 1.00 0.00 N ATOM 0 H ASN A 34 -11.683 1.589 -1.937 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.581 -1.131 -0.799 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.395 -0.073 -2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.957 -1.768 -2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -16.149 -1.608 -1.120 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.515 -1.529 -2.767 1.00 0.00 H new ATOM 561 N ILE A 35 -9.577 0.120 -2.543 1.00 0.00 N ATOM 562 CA ILE A 35 -8.425 0.022 -3.431 1.00 0.00 C ATOM 563 C ILE A 35 -7.373 1.070 -3.084 1.00 0.00 C ATOM 564 O ILE A 35 -7.550 1.857 -2.153 1.00 0.00 O ATOM 565 CB ILE A 35 -8.835 0.191 -4.906 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.824 -0.504 -5.821 1.00 0.00 C ATOM 567 CG2 ILE A 35 -8.949 1.667 -5.258 1.00 0.00 C ATOM 568 CD1 ILE A 35 -8.453 -1.140 -7.041 1.00 0.00 C ATOM 0 H ILE A 35 -9.510 0.860 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.003 -0.973 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.810 -0.274 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.078 0.222 -6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.298 -1.270 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.239 1.770 -6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.702 2.135 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.987 2.154 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.679 -1.614 -7.644 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.179 -1.890 -6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.956 -0.374 -7.632 1.00 0.00 H new ATOM 580 N ILE A 36 -6.280 1.075 -3.839 1.00 0.00 N ATOM 581 CA ILE A 36 -5.200 2.029 -3.613 1.00 0.00 C ATOM 582 C ILE A 36 -4.500 2.386 -4.919 1.00 0.00 C ATOM 583 O ILE A 36 -3.724 1.595 -5.456 1.00 0.00 O ATOM 584 CB ILE A 36 -4.160 1.476 -2.620 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.792 1.284 -1.240 1.00 0.00 C ATOM 586 CG2 ILE A 36 -2.962 2.410 -2.534 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.814 0.811 -0.188 1.00 0.00 C ATOM 0 H ILE A 36 -6.118 0.430 -4.612 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.653 2.926 -3.190 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.816 0.506 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.233 2.227 -0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.605 0.563 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.236 2.006 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.501 2.502 -3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.290 3.392 -2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.331 0.697 0.765 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.391 -0.148 -0.489 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.013 1.543 -0.080 1.00 0.00 H new ATOM 599 N SER A 37 -4.777 3.584 -5.424 1.00 0.00 N ATOM 600 CA SER A 37 -4.175 4.046 -6.670 1.00 0.00 C ATOM 601 C SER A 37 -3.304 5.275 -6.428 1.00 0.00 C ATOM 602 O SER A 37 -3.571 6.072 -5.529 1.00 0.00 O ATOM 603 CB SER A 37 -5.262 4.371 -7.696 1.00 0.00 C ATOM 604 OG SER A 37 -6.007 3.215 -8.034 1.00 0.00 O ATOM 0 H SER A 37 -5.414 4.252 -4.990 1.00 0.00 H new ATOM 0 HA SER A 37 -3.545 3.246 -7.060 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.930 5.133 -7.294 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.806 4.789 -8.594 1.00 0.00 H new ATOM 0 HG SER A 37 -6.696 3.450 -8.690 1.00 0.00 H new ATOM 610 N TYR A 38 -2.261 5.420 -7.237 1.00 0.00 N ATOM 611 CA TYR A 38 -1.347 6.550 -7.111 1.00 0.00 C ATOM 612 C TYR A 38 -1.204 7.285 -8.440 1.00 0.00 C ATOM 613 O TYR A 38 -1.087 6.664 -9.497 1.00 0.00 O ATOM 614 CB TYR A 38 0.024 6.072 -6.629 1.00 0.00 C ATOM 615 CG TYR A 38 0.544 4.867 -7.379 1.00 0.00 C ATOM 616 CD1 TYR A 38 -0.009 3.608 -7.178 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.586 4.987 -8.290 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.464 2.503 -7.860 1.00 0.00 C ATOM 619 CE2 TYR A 38 2.064 3.888 -8.978 1.00 0.00 C ATOM 620 CZ TYR A 38 1.500 2.649 -8.759 1.00 0.00 C ATOM 621 OH TYR A 38 1.972 1.551 -9.442 1.00 0.00 O ATOM 0 H TYR A 38 -2.027 4.770 -7.987 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.762 7.241 -6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.740 6.888 -6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.037 5.830 -5.568 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.822 3.491 -6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.030 5.956 -8.464 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.025 1.531 -7.690 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.875 3.999 -9.683 1.00 0.00 H new ATOM 0 HH TYR A 38 2.701 1.824 -10.037 1.00 0.00 H new ATOM 631 N TYR A 39 -1.213 8.612 -8.378 1.00 0.00 N ATOM 632 CA TYR A 39 -1.086 9.434 -9.576 1.00 0.00 C ATOM 633 C TYR A 39 0.247 10.177 -9.588 1.00 0.00 C ATOM 634 O TYR A 39 0.782 10.532 -8.538 1.00 0.00 O ATOM 635 CB TYR A 39 -2.240 10.433 -9.659 1.00 0.00 C ATOM 636 CG TYR A 39 -3.605 9.782 -9.674 1.00 0.00 C ATOM 637 CD1 TYR A 39 -4.179 9.354 -10.865 1.00 0.00 C ATOM 638 CD2 TYR A 39 -4.320 9.595 -8.498 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.425 8.759 -10.884 1.00 0.00 C ATOM 640 CE2 TYR A 39 -5.567 9.000 -8.507 1.00 0.00 C ATOM 641 CZ TYR A 39 -6.115 8.584 -9.702 1.00 0.00 C ATOM 642 OH TYR A 39 -7.357 7.991 -9.717 1.00 0.00 O ATOM 0 H TYR A 39 -1.307 9.141 -7.511 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.122 8.775 -10.443 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.181 11.115 -8.810 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.124 11.035 -10.560 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.641 9.489 -11.792 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.894 9.920 -7.560 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.857 8.433 -11.819 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -6.109 8.862 -7.583 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.707 7.942 -8.803 1.00 0.00 H new ATOM 652 N VAL A 40 0.777 10.409 -10.784 1.00 0.00 N ATOM 653 CA VAL A 40 2.046 11.111 -10.935 1.00 0.00 C ATOM 654 C VAL A 40 2.128 12.306 -9.992 1.00 0.00 C ATOM 655 O VAL A 40 3.182 12.591 -9.425 1.00 0.00 O ATOM 656 CB VAL A 40 2.249 11.598 -12.382 1.00 0.00 C ATOM 657 CG1 VAL A 40 3.562 12.354 -12.512 1.00 0.00 C ATOM 658 CG2 VAL A 40 2.202 10.426 -13.350 1.00 0.00 C ATOM 0 H VAL A 40 0.347 10.121 -11.663 1.00 0.00 H new ATOM 0 HA VAL A 40 2.833 10.400 -10.685 1.00 0.00 H new ATOM 0 HB VAL A 40 1.438 12.281 -12.634 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.688 12.690 -13.541 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.552 13.217 -11.847 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.389 11.697 -12.241 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.347 10.789 -14.368 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.992 9.717 -13.101 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.234 9.931 -13.276 1.00 0.00 H new ATOM 668 N SER A 41 1.008 13.003 -9.830 1.00 0.00 N ATOM 669 CA SER A 41 0.953 14.170 -8.957 1.00 0.00 C ATOM 670 C SER A 41 -0.392 14.252 -8.242 1.00 0.00 C ATOM 671 O SER A 41 -1.227 13.357 -8.365 1.00 0.00 O ATOM 672 CB SER A 41 1.192 15.448 -9.764 1.00 0.00 C ATOM 673 OG SER A 41 1.611 16.510 -8.925 1.00 0.00 O ATOM 0 H SER A 41 0.126 12.780 -10.292 1.00 0.00 H new ATOM 0 HA SER A 41 1.738 14.069 -8.207 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.948 15.264 -10.527 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.276 15.730 -10.284 1.00 0.00 H new ATOM 0 HG SER A 41 1.758 17.315 -9.465 1.00 0.00 H new ATOM 679 N GLU A 42 -0.592 15.332 -7.493 1.00 0.00 N ATOM 680 CA GLU A 42 -1.835 15.530 -6.757 1.00 0.00 C ATOM 681 C GLU A 42 -2.904 16.151 -7.651 1.00 0.00 C ATOM 682 O GLU A 42 -3.752 16.914 -7.185 1.00 0.00 O ATOM 683 CB GLU A 42 -1.594 16.421 -5.536 1.00 0.00 C ATOM 684 CG GLU A 42 -1.391 17.886 -5.883 1.00 0.00 C ATOM 685 CD GLU A 42 -0.877 18.698 -4.710 1.00 0.00 C ATOM 686 OE1 GLU A 42 -1.184 18.334 -3.556 1.00 0.00 O ATOM 687 OE2 GLU A 42 -0.166 19.697 -4.947 1.00 0.00 O ATOM 0 H GLU A 42 0.090 16.082 -7.380 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.188 14.555 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.443 16.331 -4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.717 16.058 -4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.687 17.965 -6.711 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.335 18.308 -6.226 1.00 0.00 H new ATOM 694 N ASP A 43 -2.857 15.820 -8.936 1.00 0.00 N ATOM 695 CA ASP A 43 -3.821 16.344 -9.897 1.00 0.00 C ATOM 696 C ASP A 43 -4.877 15.296 -10.234 1.00 0.00 C ATOM 697 O ASP A 43 -6.018 15.630 -10.558 1.00 0.00 O ATOM 698 CB ASP A 43 -3.109 16.797 -11.172 1.00 0.00 C ATOM 699 CG ASP A 43 -2.362 18.103 -10.986 1.00 0.00 C ATOM 700 OD1 ASP A 43 -1.414 18.134 -10.173 1.00 0.00 O ATOM 701 OD2 ASP A 43 -2.725 19.094 -11.652 1.00 0.00 O ATOM 0 H ASP A 43 -2.161 15.191 -9.337 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.318 17.202 -9.444 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.409 16.023 -11.488 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.840 16.911 -11.972 1.00 0.00 H new ATOM 706 N LEU A 44 -4.490 14.028 -10.156 1.00 0.00 N ATOM 707 CA LEU A 44 -5.403 12.930 -10.454 1.00 0.00 C ATOM 708 C LEU A 44 -5.746 12.895 -11.940 1.00 0.00 C ATOM 709 O LEU A 44 -6.904 12.715 -12.317 1.00 0.00 O ATOM 710 CB LEU A 44 -6.683 13.065 -9.627 1.00 0.00 C ATOM 711 CG LEU A 44 -6.492 13.365 -8.140 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.822 13.717 -7.491 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.851 12.178 -7.435 1.00 0.00 C ATOM 0 H LEU A 44 -3.550 13.734 -9.889 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.906 11.996 -10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.291 13.858 -10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.252 12.140 -9.721 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.826 14.223 -8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.666 13.927 -6.433 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.243 14.597 -7.978 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.511 12.879 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.722 12.409 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.492 11.303 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.879 11.971 -7.882 1.00 0.00 H new ATOM 725 N LYS A 45 -4.731 13.065 -12.780 1.00 0.00 N ATOM 726 CA LYS A 45 -4.923 13.050 -14.226 1.00 0.00 C ATOM 727 C LYS A 45 -4.140 11.907 -14.866 1.00 0.00 C ATOM 728 O LYS A 45 -4.632 11.239 -15.776 1.00 0.00 O ATOM 729 CB LYS A 45 -4.486 14.385 -14.833 1.00 0.00 C ATOM 730 CG LYS A 45 -5.309 15.568 -14.354 1.00 0.00 C ATOM 731 CD LYS A 45 -5.390 16.656 -15.413 1.00 0.00 C ATOM 732 CE LYS A 45 -4.006 17.115 -15.847 1.00 0.00 C ATOM 733 NZ LYS A 45 -3.511 18.246 -15.014 1.00 0.00 N ATOM 0 H LYS A 45 -3.766 13.215 -12.485 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.984 12.898 -14.426 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.438 14.560 -14.590 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.555 14.321 -15.919 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.314 15.233 -14.097 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.867 15.976 -13.445 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.939 16.283 -16.278 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.950 17.505 -15.022 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.308 16.280 -15.778 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.036 17.420 -16.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.565 18.530 -15.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.163 19.052 -15.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.458 17.947 -14.019 1.00 0.00 H new ATOM 747 N ASP A 46 -2.922 11.689 -14.385 1.00 0.00 N ATOM 748 CA ASP A 46 -2.072 10.625 -14.909 1.00 0.00 C ATOM 749 C ASP A 46 -1.825 9.555 -13.850 1.00 0.00 C ATOM 750 O ASP A 46 -1.080 9.772 -12.895 1.00 0.00 O ATOM 751 CB ASP A 46 -0.740 11.200 -15.392 1.00 0.00 C ATOM 752 CG ASP A 46 -0.048 10.295 -16.393 1.00 0.00 C ATOM 753 OD1 ASP A 46 -0.755 9.629 -17.179 1.00 0.00 O ATOM 754 OD2 ASP A 46 1.200 10.253 -16.390 1.00 0.00 O ATOM 0 H ASP A 46 -2.500 12.234 -13.633 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.587 10.163 -15.752 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.912 12.175 -15.847 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.084 11.359 -14.536 1.00 0.00 H new ATOM 759 N LYS A 47 -2.458 8.400 -14.025 1.00 0.00 N ATOM 760 CA LYS A 47 -2.308 7.295 -13.086 1.00 0.00 C ATOM 761 C LYS A 47 -1.272 6.293 -13.586 1.00 0.00 C ATOM 762 O LYS A 47 -1.016 6.195 -14.786 1.00 0.00 O ATOM 763 CB LYS A 47 -3.651 6.593 -12.873 1.00 0.00 C ATOM 764 CG LYS A 47 -3.629 5.563 -11.757 1.00 0.00 C ATOM 765 CD LYS A 47 -4.792 4.592 -11.872 1.00 0.00 C ATOM 766 CE LYS A 47 -6.109 5.252 -11.497 1.00 0.00 C ATOM 767 NZ LYS A 47 -6.775 5.871 -12.676 1.00 0.00 N ATOM 0 H LYS A 47 -3.080 8.205 -14.809 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.964 7.703 -12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.411 7.342 -12.650 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.947 6.104 -13.801 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.689 5.012 -11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.670 6.069 -10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.851 4.213 -12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.616 3.734 -11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.773 4.511 -11.053 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.930 6.015 -10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.968 6.874 -12.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.153 5.795 -13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.670 5.378 -12.868 1.00 0.00 H new ATOM 781 N LYS A 48 -0.679 5.549 -12.658 1.00 0.00 N ATOM 782 CA LYS A 48 0.327 4.552 -13.003 1.00 0.00 C ATOM 783 C LYS A 48 -0.247 3.142 -12.903 1.00 0.00 C ATOM 784 O LYS A 48 0.105 2.261 -13.686 1.00 0.00 O ATOM 785 CB LYS A 48 1.543 4.685 -12.084 1.00 0.00 C ATOM 786 CG LYS A 48 2.610 5.625 -12.619 1.00 0.00 C ATOM 787 CD LYS A 48 3.433 4.969 -13.715 1.00 0.00 C ATOM 788 CE LYS A 48 4.079 6.005 -14.622 1.00 0.00 C ATOM 789 NZ LYS A 48 4.949 5.374 -15.653 1.00 0.00 N ATOM 0 H LYS A 48 -0.878 5.618 -11.660 1.00 0.00 H new ATOM 0 HA LYS A 48 0.637 4.727 -14.033 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.213 5.041 -11.108 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.982 3.699 -11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.139 6.528 -13.008 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.266 5.933 -11.805 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.205 4.344 -13.267 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.795 4.313 -14.307 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.303 6.593 -15.112 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.670 6.696 -14.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.371 6.113 -16.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.705 4.833 -15.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.380 4.734 -16.243 1.00 0.00 H new ATOM 803 N GLY A 49 -1.135 2.937 -11.935 1.00 0.00 N ATOM 804 CA GLY A 49 -1.745 1.633 -11.752 1.00 0.00 C ATOM 805 C GLY A 49 -2.692 1.597 -10.570 1.00 0.00 C ATOM 806 O GLY A 49 -2.992 2.632 -9.973 1.00 0.00 O ATOM 0 H GLY A 49 -1.443 3.651 -11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.288 1.359 -12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.964 0.886 -11.610 1.00 0.00 H new ATOM 810 N ASP A 50 -3.167 0.403 -10.230 1.00 0.00 N ATOM 811 CA ASP A 50 -4.087 0.236 -9.111 1.00 0.00 C ATOM 812 C ASP A 50 -3.716 -0.988 -8.281 1.00 0.00 C ATOM 813 O ASP A 50 -3.251 -1.995 -8.816 1.00 0.00 O ATOM 814 CB ASP A 50 -5.524 0.107 -9.620 1.00 0.00 C ATOM 815 CG ASP A 50 -5.619 -0.734 -10.877 1.00 0.00 C ATOM 816 OD1 ASP A 50 -5.613 -1.977 -10.761 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.700 -0.149 -11.978 1.00 0.00 O ATOM 0 H ASP A 50 -2.930 -0.463 -10.714 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.013 1.119 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.144 -0.337 -8.841 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.926 1.100 -9.819 1.00 0.00 H new ATOM 822 N ILE A 51 -3.924 -0.894 -6.972 1.00 0.00 N ATOM 823 CA ILE A 51 -3.612 -1.994 -6.068 1.00 0.00 C ATOM 824 C ILE A 51 -4.880 -2.582 -5.458 1.00 0.00 C ATOM 825 O ILE A 51 -5.322 -2.158 -4.389 1.00 0.00 O ATOM 826 CB ILE A 51 -2.672 -1.542 -4.935 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.349 -1.035 -5.512 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.428 -2.686 -3.962 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.514 -0.258 -4.517 1.00 0.00 C ATOM 0 H ILE A 51 -4.307 -0.067 -6.514 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.110 -2.758 -6.662 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.147 -0.724 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.771 -1.885 -5.874 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.557 -0.400 -6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.762 -2.351 -3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.377 -3.005 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.970 -3.522 -4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.409 0.070 -4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.074 0.612 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.275 -0.896 -3.666 1.00 0.00 H new ATOM 841 N LEU A 52 -5.460 -3.561 -6.143 1.00 0.00 N ATOM 842 CA LEU A 52 -6.678 -4.209 -5.667 1.00 0.00 C ATOM 843 C LEU A 52 -6.522 -4.668 -4.221 1.00 0.00 C ATOM 844 O LEU A 52 -5.778 -5.606 -3.932 1.00 0.00 O ATOM 845 CB LEU A 52 -7.024 -5.404 -6.558 1.00 0.00 C ATOM 846 CG LEU A 52 -6.991 -5.149 -8.065 1.00 0.00 C ATOM 847 CD1 LEU A 52 -7.236 -6.440 -8.831 1.00 0.00 C ATOM 848 CD2 LEU A 52 -8.018 -4.095 -8.451 1.00 0.00 C ATOM 0 H LEU A 52 -5.108 -3.924 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.488 -3.482 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.330 -6.214 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.021 -5.754 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.001 -4.776 -8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.209 -6.238 -9.902 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.462 -7.165 -8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.213 -6.843 -8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.980 -3.927 -9.527 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.014 -4.439 -8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.797 -3.163 -7.930 1.00 0.00 H new ATOM 860 N LEU A 53 -7.229 -4.001 -3.315 1.00 0.00 N ATOM 861 CA LEU A 53 -7.171 -4.341 -1.898 1.00 0.00 C ATOM 862 C LEU A 53 -8.003 -5.585 -1.602 1.00 0.00 C ATOM 863 O LEU A 53 -9.038 -5.815 -2.227 1.00 0.00 O ATOM 864 CB LEU A 53 -7.668 -3.168 -1.051 1.00 0.00 C ATOM 865 CG LEU A 53 -6.676 -2.023 -0.842 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.356 -0.846 -0.160 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.480 -2.495 -0.029 1.00 0.00 C ATOM 0 H LEU A 53 -7.849 -3.222 -3.537 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.133 -4.552 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.566 -2.763 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.962 -3.550 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.319 -1.694 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.635 -0.041 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.179 -0.492 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.742 -1.161 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.785 -1.667 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.819 -2.851 0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.978 -3.306 -0.557 1.00 0.00 H new ATOM 879 N ASP A 54 -7.544 -6.382 -0.643 1.00 0.00 N ATOM 880 CA ASP A 54 -8.247 -7.601 -0.262 1.00 0.00 C ATOM 881 C ASP A 54 -7.737 -8.127 1.077 1.00 0.00 C ATOM 882 O ASP A 54 -6.570 -7.943 1.421 1.00 0.00 O ATOM 883 CB ASP A 54 -8.079 -8.672 -1.341 1.00 0.00 C ATOM 884 CG ASP A 54 -8.847 -8.343 -2.606 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.095 -8.400 -2.575 1.00 0.00 O ATOM 886 OD2 ASP A 54 -8.201 -8.029 -3.627 1.00 0.00 O ATOM 0 H ASP A 54 -6.689 -6.206 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.306 -7.362 -0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.021 -8.781 -1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.419 -9.632 -0.952 1.00 0.00 H new ATOM 891 N GLU A 55 -8.620 -8.779 1.826 1.00 0.00 N ATOM 892 CA GLU A 55 -8.258 -9.329 3.128 1.00 0.00 C ATOM 893 C GLU A 55 -6.810 -9.808 3.132 1.00 0.00 C ATOM 894 O GLU A 55 -6.101 -9.667 4.128 1.00 0.00 O ATOM 895 CB GLU A 55 -9.191 -10.485 3.495 1.00 0.00 C ATOM 896 CG GLU A 55 -9.413 -11.472 2.361 1.00 0.00 C ATOM 897 CD GLU A 55 -10.125 -12.731 2.815 1.00 0.00 C ATOM 898 OE1 GLU A 55 -11.034 -12.626 3.665 1.00 0.00 O ATOM 899 OE2 GLU A 55 -9.773 -13.822 2.320 1.00 0.00 O ATOM 0 H GLU A 55 -9.590 -8.940 1.555 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.363 -8.538 3.870 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.777 -11.016 4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.154 -10.079 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.997 -10.992 1.576 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.451 -11.740 1.924 1.00 0.00 H new ATOM 906 N ASN A 56 -6.377 -10.377 2.011 1.00 0.00 N ATOM 907 CA ASN A 56 -5.014 -10.879 1.885 1.00 0.00 C ATOM 908 C ASN A 56 -4.001 -9.749 2.043 1.00 0.00 C ATOM 909 O ASN A 56 -3.105 -9.817 2.885 1.00 0.00 O ATOM 910 CB ASN A 56 -4.824 -11.564 0.530 1.00 0.00 C ATOM 911 CG ASN A 56 -5.136 -13.047 0.583 1.00 0.00 C ATOM 912 OD1 ASN A 56 -4.268 -13.885 0.339 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.382 -13.378 0.902 1.00 0.00 N ATOM 0 H ASN A 56 -6.951 -10.502 1.177 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.846 -11.607 2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.467 -11.086 -0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.796 -11.423 0.196 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.652 -14.360 0.953 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.069 -12.650 1.097 1.00 0.00 H new ATOM 920 N CYS A 57 -4.150 -8.710 1.228 1.00 0.00 N ATOM 921 CA CYS A 57 -3.250 -7.565 1.276 1.00 0.00 C ATOM 922 C CYS A 57 -3.188 -6.980 2.684 1.00 0.00 C ATOM 923 O CYS A 57 -4.183 -6.976 3.410 1.00 0.00 O ATOM 924 CB CYS A 57 -3.703 -6.491 0.285 1.00 0.00 C ATOM 925 SG CYS A 57 -3.467 -6.945 -1.464 1.00 0.00 S ATOM 0 H CYS A 57 -4.886 -8.638 0.526 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.253 -7.907 1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.758 -6.277 0.455 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.155 -5.571 0.487 1.00 0.00 H new ATOM 930 N CYS A 58 -2.015 -6.486 3.062 1.00 0.00 N ATOM 931 CA CYS A 58 -1.823 -5.898 4.384 1.00 0.00 C ATOM 932 C CYS A 58 -0.607 -4.977 4.398 1.00 0.00 C ATOM 933 O CYS A 58 0.224 -5.015 3.491 1.00 0.00 O ATOM 934 CB CYS A 58 -1.657 -6.997 5.434 1.00 0.00 C ATOM 935 SG CYS A 58 -2.077 -6.481 7.115 1.00 0.00 S ATOM 0 H CYS A 58 -1.182 -6.480 2.473 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.707 -5.307 4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.283 -7.845 5.159 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.624 -7.345 5.420 1.00 0.00 H new ATOM 0 HG CYS A 58 -1.907 -7.479 7.931 1.00 0.00 H new ATOM 941 N VAL A 59 -0.511 -4.149 5.433 1.00 0.00 N ATOM 942 CA VAL A 59 0.602 -3.217 5.565 1.00 0.00 C ATOM 943 C VAL A 59 1.420 -3.512 6.818 1.00 0.00 C ATOM 944 O VAL A 59 0.873 -3.893 7.852 1.00 0.00 O ATOM 945 CB VAL A 59 0.110 -1.758 5.618 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.880 -1.570 6.758 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.286 -0.804 5.760 1.00 0.00 C ATOM 0 H VAL A 59 -1.191 -4.105 6.192 1.00 0.00 H new ATOM 0 HA VAL A 59 1.231 -3.348 4.684 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.401 -1.531 4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.217 -0.534 6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.737 -2.227 6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.397 -1.815 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.920 0.222 5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.828 -1.028 6.679 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.955 -0.921 4.907 1.00 0.00 H new ATOM 957 N GLU A 60 2.733 -3.331 6.717 1.00 0.00 N ATOM 958 CA GLU A 60 3.626 -3.579 7.842 1.00 0.00 C ATOM 959 C GLU A 60 4.647 -2.453 7.984 1.00 0.00 C ATOM 960 O GLU A 60 4.901 -1.708 7.038 1.00 0.00 O ATOM 961 CB GLU A 60 4.347 -4.917 7.666 1.00 0.00 C ATOM 962 CG GLU A 60 5.316 -4.936 6.496 1.00 0.00 C ATOM 963 CD GLU A 60 6.109 -6.226 6.416 1.00 0.00 C ATOM 964 OE1 GLU A 60 6.275 -6.885 7.464 1.00 0.00 O ATOM 965 OE2 GLU A 60 6.565 -6.576 5.308 1.00 0.00 O ATOM 0 H GLU A 60 3.201 -3.014 5.868 1.00 0.00 H new ATOM 0 HA GLU A 60 3.023 -3.617 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.891 -5.150 8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.606 -5.704 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.762 -4.796 5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.004 -4.096 6.586 1.00 0.00 H new ATOM 972 N SER A 61 5.229 -2.337 9.174 1.00 0.00 N ATOM 973 CA SER A 61 6.218 -1.300 9.442 1.00 0.00 C ATOM 974 C SER A 61 7.634 -1.841 9.265 1.00 0.00 C ATOM 975 O SER A 61 8.003 -2.853 9.862 1.00 0.00 O ATOM 976 CB SER A 61 6.043 -0.753 10.860 1.00 0.00 C ATOM 977 OG SER A 61 6.585 -1.643 11.821 1.00 0.00 O ATOM 0 H SER A 61 5.033 -2.948 9.967 1.00 0.00 H new ATOM 0 HA SER A 61 6.064 -0.492 8.727 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.533 0.217 10.942 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.984 -0.594 11.064 1.00 0.00 H new ATOM 0 HG SER A 61 7.172 -2.289 11.375 1.00 0.00 H new ATOM 983 N LEU A 62 8.421 -1.161 8.440 1.00 0.00 N ATOM 984 CA LEU A 62 9.797 -1.572 8.183 1.00 0.00 C ATOM 985 C LEU A 62 10.772 -0.786 9.054 1.00 0.00 C ATOM 986 O LEU A 62 10.563 0.388 9.360 1.00 0.00 O ATOM 987 CB LEU A 62 10.142 -1.373 6.705 1.00 0.00 C ATOM 988 CG LEU A 62 9.301 -2.171 5.707 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.473 -1.616 4.302 1.00 0.00 C ATOM 990 CD2 LEU A 62 9.676 -3.645 5.751 1.00 0.00 C ATOM 0 H LEU A 62 8.130 -0.322 7.937 1.00 0.00 H new ATOM 0 HA LEU A 62 9.887 -2.629 8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.042 -0.314 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.190 -1.635 6.558 1.00 0.00 H new ATOM 0 HG LEU A 62 8.252 -2.076 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.868 -2.196 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.153 -0.574 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.522 -1.680 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.067 -4.197 5.035 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.730 -3.760 5.497 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.500 -4.035 6.753 1.00 0.00 H new ATOM 1002 N PRO A 63 11.866 -1.447 9.462 1.00 0.00 N ATOM 1003 CA PRO A 63 12.897 -0.829 10.301 1.00 0.00 C ATOM 1004 C PRO A 63 13.697 0.230 9.550 1.00 0.00 C ATOM 1005 O PRO A 63 13.336 0.624 8.441 1.00 0.00 O ATOM 1006 CB PRO A 63 13.796 -2.007 10.683 1.00 0.00 C ATOM 1007 CG PRO A 63 13.606 -3.000 9.588 1.00 0.00 C ATOM 1008 CD PRO A 63 12.181 -2.848 9.135 1.00 0.00 C ATOM 0 HA PRO A 63 12.468 -0.307 11.157 1.00 0.00 H new ATOM 0 HB2 PRO A 63 14.839 -1.700 10.762 1.00 0.00 H new ATOM 0 HB3 PRO A 63 13.512 -2.424 11.649 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.299 -2.813 8.767 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.797 -4.013 9.942 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.075 -3.045 8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.518 -3.540 9.654 1.00 0.00 H new ATOM 1016 N ASP A 64 14.785 0.687 10.162 1.00 0.00 N ATOM 1017 CA ASP A 64 15.637 1.700 9.550 1.00 0.00 C ATOM 1018 C ASP A 64 16.527 1.084 8.475 1.00 0.00 C ATOM 1019 O ASP A 64 17.329 0.193 8.753 1.00 0.00 O ATOM 1020 CB ASP A 64 16.499 2.382 10.614 1.00 0.00 C ATOM 1021 CG ASP A 64 17.084 1.395 11.605 1.00 0.00 C ATOM 1022 OD1 ASP A 64 16.379 1.034 12.570 1.00 0.00 O ATOM 1023 OD2 ASP A 64 18.248 0.983 11.414 1.00 0.00 O ATOM 0 H ASP A 64 15.097 0.372 11.081 1.00 0.00 H new ATOM 0 HA ASP A 64 14.994 2.445 9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.308 2.927 10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.897 3.116 11.149 1.00 0.00 H new ATOM 1028 N LYS A 65 16.379 1.565 7.245 1.00 0.00 N ATOM 1029 CA LYS A 65 17.169 1.063 6.127 1.00 0.00 C ATOM 1030 C LYS A 65 17.462 2.175 5.126 1.00 0.00 C ATOM 1031 O LYS A 65 16.830 3.231 5.154 1.00 0.00 O ATOM 1032 CB LYS A 65 16.433 -0.084 5.430 1.00 0.00 C ATOM 1033 CG LYS A 65 15.227 0.367 4.625 1.00 0.00 C ATOM 1034 CD LYS A 65 14.156 -0.710 4.574 1.00 0.00 C ATOM 1035 CE LYS A 65 14.353 -1.634 3.382 1.00 0.00 C ATOM 1036 NZ LYS A 65 15.447 -2.617 3.618 1.00 0.00 N ATOM 0 H LYS A 65 15.719 2.302 6.997 1.00 0.00 H new ATOM 0 HA LYS A 65 18.116 0.693 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.128 -0.602 4.769 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.109 -0.806 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.812 1.273 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 65 15.539 0.620 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.180 -1.292 5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.172 -0.244 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.424 -2.166 3.178 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.582 -1.041 2.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.348 -3.413 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.367 -2.155 3.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.391 -2.971 4.594 1.00 0.00 H new ATOM 1050 N ASP A 66 18.423 1.931 4.242 1.00 0.00 N ATOM 1051 CA ASP A 66 18.798 2.911 3.229 1.00 0.00 C ATOM 1052 C ASP A 66 18.701 4.329 3.784 1.00 0.00 C ATOM 1053 O ASP A 66 18.213 5.237 3.112 1.00 0.00 O ATOM 1054 CB ASP A 66 17.905 2.770 1.996 1.00 0.00 C ATOM 1055 CG ASP A 66 18.180 3.838 0.956 1.00 0.00 C ATOM 1056 OD1 ASP A 66 19.363 4.196 0.771 1.00 0.00 O ATOM 1057 OD2 ASP A 66 17.214 4.316 0.326 1.00 0.00 O ATOM 0 H ASP A 66 18.957 1.063 4.206 1.00 0.00 H new ATOM 0 HA ASP A 66 19.832 2.722 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.057 1.787 1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.860 2.824 2.300 1.00 0.00 H new ATOM 1062 N GLY A 67 19.169 4.511 5.015 1.00 0.00 N ATOM 1063 CA GLY A 67 19.124 5.821 5.639 1.00 0.00 C ATOM 1064 C GLY A 67 17.732 6.420 5.631 1.00 0.00 C ATOM 1065 O GLY A 67 17.551 7.587 5.283 1.00 0.00 O ATOM 0 H GLY A 67 19.578 3.775 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.476 5.742 6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.808 6.492 5.118 1.00 0.00 H new ATOM 1069 N LYS A 68 16.743 5.619 6.014 1.00 0.00 N ATOM 1070 CA LYS A 68 15.358 6.075 6.049 1.00 0.00 C ATOM 1071 C LYS A 68 14.765 5.905 7.444 1.00 0.00 C ATOM 1072 O LYS A 68 15.434 5.427 8.361 1.00 0.00 O ATOM 1073 CB LYS A 68 14.519 5.303 5.029 1.00 0.00 C ATOM 1074 CG LYS A 68 14.476 5.956 3.658 1.00 0.00 C ATOM 1075 CD LYS A 68 13.501 7.121 3.625 1.00 0.00 C ATOM 1076 CE LYS A 68 13.358 7.689 2.221 1.00 0.00 C ATOM 1077 NZ LYS A 68 14.347 8.771 1.957 1.00 0.00 N ATOM 0 H LYS A 68 16.875 4.650 6.305 1.00 0.00 H new ATOM 0 HA LYS A 68 15.344 7.135 5.794 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.921 4.295 4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.502 5.205 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.473 6.307 3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.186 5.217 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.527 6.792 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.844 7.903 4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.490 6.890 1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.349 8.079 2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.217 9.132 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.205 9.545 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.311 8.393 2.059 1.00 0.00 H new ATOM 1091 N LYS A 69 13.505 6.298 7.598 1.00 0.00 N ATOM 1092 CA LYS A 69 12.820 6.187 8.880 1.00 0.00 C ATOM 1093 C LYS A 69 11.320 5.992 8.680 1.00 0.00 C ATOM 1094 O LYS A 69 10.804 6.167 7.576 1.00 0.00 O ATOM 1095 CB LYS A 69 13.074 7.436 9.728 1.00 0.00 C ATOM 1096 CG LYS A 69 13.119 8.721 8.919 1.00 0.00 C ATOM 1097 CD LYS A 69 11.726 9.286 8.693 1.00 0.00 C ATOM 1098 CE LYS A 69 11.209 10.004 9.930 1.00 0.00 C ATOM 1099 NZ LYS A 69 9.779 10.394 9.788 1.00 0.00 N ATOM 0 H LYS A 69 12.937 6.696 6.850 1.00 0.00 H new ATOM 0 HA LYS A 69 13.216 5.315 9.401 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.291 7.518 10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.018 7.318 10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.732 9.458 9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.596 8.530 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.745 9.978 7.851 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.043 8.479 8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.324 9.357 10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.812 10.894 10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.516 11.037 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.639 10.874 8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.182 9.544 9.827 1.00 0.00 H new ATOM 1113 N CYS A 70 10.627 5.631 9.755 1.00 0.00 N ATOM 1114 CA CYS A 70 9.186 5.413 9.697 1.00 0.00 C ATOM 1115 C CYS A 70 8.780 4.811 8.356 1.00 0.00 C ATOM 1116 O CYS A 70 7.870 5.306 7.691 1.00 0.00 O ATOM 1117 CB CYS A 70 8.441 6.729 9.925 1.00 0.00 C ATOM 1118 SG CYS A 70 8.453 7.296 11.642 1.00 0.00 S ATOM 0 H CYS A 70 11.039 5.483 10.676 1.00 0.00 H new ATOM 0 HA CYS A 70 8.918 4.710 10.486 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.886 7.500 9.296 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.407 6.610 9.600 1.00 0.00 H new ATOM 0 HG CYS A 70 8.406 8.595 11.670 1.00 0.00 H new ATOM 1124 N LEU A 71 9.463 3.741 7.963 1.00 0.00 N ATOM 1125 CA LEU A 71 9.175 3.071 6.700 1.00 0.00 C ATOM 1126 C LEU A 71 8.051 2.054 6.867 1.00 0.00 C ATOM 1127 O LEU A 71 7.854 1.502 7.949 1.00 0.00 O ATOM 1128 CB LEU A 71 10.432 2.377 6.170 1.00 0.00 C ATOM 1129 CG LEU A 71 11.360 3.235 5.309 1.00 0.00 C ATOM 1130 CD1 LEU A 71 12.801 2.773 5.455 1.00 0.00 C ATOM 1131 CD2 LEU A 71 10.928 3.189 3.851 1.00 0.00 C ATOM 0 H LEU A 71 10.220 3.319 8.501 1.00 0.00 H new ATOM 0 HA LEU A 71 8.854 3.825 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.002 2.002 7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.125 1.510 5.585 1.00 0.00 H new ATOM 0 HG LEU A 71 11.294 4.267 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.447 3.395 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.107 2.859 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.884 1.734 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.599 3.805 3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.964 2.160 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.910 3.569 3.761 1.00 0.00 H new ATOM 1143 N PHE A 72 7.317 1.809 5.786 1.00 0.00 N ATOM 1144 CA PHE A 72 6.213 0.857 5.812 1.00 0.00 C ATOM 1145 C PHE A 72 5.989 0.245 4.432 1.00 0.00 C ATOM 1146 O PHE A 72 5.893 0.958 3.433 1.00 0.00 O ATOM 1147 CB PHE A 72 4.932 1.542 6.292 1.00 0.00 C ATOM 1148 CG PHE A 72 4.357 2.505 5.293 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.545 2.055 4.265 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.630 3.861 5.382 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.014 2.939 3.344 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.102 4.749 4.465 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.294 4.288 3.444 1.00 0.00 C ATOM 0 H PHE A 72 7.467 2.257 4.882 1.00 0.00 H new ATOM 0 HA PHE A 72 6.472 0.058 6.507 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.186 0.781 6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.140 2.075 7.220 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.324 1.001 4.182 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.263 4.227 6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.381 2.575 2.548 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.321 5.803 4.546 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.882 4.981 2.725 1.00 0.00 H new ATOM 1163 N LEU A 73 5.909 -1.080 4.386 1.00 0.00 N ATOM 1164 CA LEU A 73 5.698 -1.790 3.129 1.00 0.00 C ATOM 1165 C LEU A 73 4.395 -2.582 3.163 1.00 0.00 C ATOM 1166 O LEU A 73 4.011 -3.123 4.201 1.00 0.00 O ATOM 1167 CB LEU A 73 6.872 -2.729 2.847 1.00 0.00 C ATOM 1168 CG LEU A 73 6.707 -3.671 1.653 1.00 0.00 C ATOM 1169 CD1 LEU A 73 8.059 -3.991 1.035 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.995 -4.948 2.075 1.00 0.00 C ATOM 0 H LEU A 73 5.987 -1.684 5.204 1.00 0.00 H new ATOM 0 HA LEU A 73 5.632 -1.051 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.764 -2.124 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.051 -3.332 3.737 1.00 0.00 H new ATOM 0 HG LEU A 73 6.097 -3.170 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.922 -4.662 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.531 -3.069 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.695 -4.471 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.886 -5.606 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.578 -5.452 2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.009 -4.702 2.470 1.00 0.00 H new ATOM 1182 N VAL A 74 3.718 -2.650 2.021 1.00 0.00 N ATOM 1183 CA VAL A 74 2.460 -3.379 1.919 1.00 0.00 C ATOM 1184 C VAL A 74 2.643 -4.686 1.156 1.00 0.00 C ATOM 1185 O VAL A 74 3.189 -4.704 0.053 1.00 0.00 O ATOM 1186 CB VAL A 74 1.378 -2.536 1.219 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.118 -3.359 1.000 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.073 -1.284 2.027 1.00 0.00 C ATOM 0 H VAL A 74 4.020 -2.208 1.153 1.00 0.00 H new ATOM 0 HA VAL A 74 2.137 -3.598 2.937 1.00 0.00 H new ATOM 0 HB VAL A 74 1.756 -2.229 0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.635 -2.746 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.351 -4.222 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.266 -3.699 1.962 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.306 -0.700 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.715 -1.568 3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.979 -0.686 2.126 1.00 0.00 H new ATOM 1198 N LYS A 75 2.181 -5.781 1.751 1.00 0.00 N ATOM 1199 CA LYS A 75 2.291 -7.095 1.129 1.00 0.00 C ATOM 1200 C LYS A 75 0.942 -7.554 0.586 1.00 0.00 C ATOM 1201 O LYS A 75 -0.056 -7.569 1.306 1.00 0.00 O ATOM 1202 CB LYS A 75 2.822 -8.117 2.137 1.00 0.00 C ATOM 1203 CG LYS A 75 4.317 -8.010 2.382 1.00 0.00 C ATOM 1204 CD LYS A 75 4.711 -8.634 3.710 1.00 0.00 C ATOM 1205 CE LYS A 75 5.035 -10.112 3.557 1.00 0.00 C ATOM 1206 NZ LYS A 75 3.820 -10.962 3.682 1.00 0.00 N ATOM 0 H LYS A 75 1.726 -5.784 2.664 1.00 0.00 H new ATOM 0 HA LYS A 75 2.991 -7.018 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.297 -7.988 3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.592 -9.121 1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.855 -8.504 1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.614 -6.961 2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.577 -8.111 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.899 -8.511 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.500 -10.283 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.762 -10.405 4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.102 -11.950 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.245 -10.631 4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.262 -10.901 2.807 1.00 0.00 H new ATOM 1220 N CYS A 76 0.919 -7.931 -0.688 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.307 -8.392 -1.328 1.00 0.00 C ATOM 1222 C CYS A 76 -0.163 -9.835 -1.804 1.00 0.00 C ATOM 1223 O CYS A 76 0.907 -10.434 -1.690 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.662 -7.487 -2.509 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.730 -6.077 -2.071 1.00 0.00 S ATOM 0 H CYS A 76 1.736 -7.926 -1.298 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.110 -8.349 -0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.259 -7.108 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.161 -8.083 -3.273 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.247 -10.387 -2.339 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.242 -11.759 -2.832 1.00 0.00 C ATOM 1232 C PHE A 77 0.132 -12.135 -3.380 1.00 0.00 C ATOM 1233 O PHE A 77 0.863 -12.914 -2.770 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.303 -11.936 -3.920 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.652 -12.323 -3.383 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.942 -13.646 -3.090 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.630 -11.364 -3.173 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -5.182 -14.006 -2.596 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.871 -11.718 -2.679 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.148 -13.040 -2.391 1.00 0.00 C ATOM 0 H PHE A 77 -2.140 -9.905 -2.442 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.474 -12.420 -1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.397 -11.006 -4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.968 -12.699 -4.623 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.190 -14.405 -3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.420 -10.329 -3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.395 -15.041 -2.371 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.624 -10.961 -2.518 1.00 0.00 H new ATOM 0 HZ PHE A 77 -7.118 -13.318 -2.006 1.00 0.00 H new ATOM 1250 N ASP A 78 0.474 -11.576 -4.536 1.00 0.00 N ATOM 1251 CA ASP A 78 1.759 -11.852 -5.167 1.00 0.00 C ATOM 1252 C ASP A 78 2.540 -10.561 -5.396 1.00 0.00 C ATOM 1253 O ASP A 78 3.771 -10.564 -5.426 1.00 0.00 O ATOM 1254 CB ASP A 78 1.553 -12.580 -6.496 1.00 0.00 C ATOM 1255 CG ASP A 78 1.200 -14.042 -6.307 1.00 0.00 C ATOM 1256 OD1 ASP A 78 2.119 -14.844 -6.043 1.00 0.00 O ATOM 1257 OD2 ASP A 78 0.004 -14.384 -6.423 1.00 0.00 O ATOM 0 H ASP A 78 -0.121 -10.929 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 78 2.335 -12.491 -4.497 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.759 -12.087 -7.057 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.461 -12.503 -7.094 1.00 0.00 H new ATOM 1262 N LYS A 79 1.816 -9.458 -5.558 1.00 0.00 N ATOM 1263 CA LYS A 79 2.439 -8.160 -5.784 1.00 0.00 C ATOM 1264 C LYS A 79 2.840 -7.511 -4.463 1.00 0.00 C ATOM 1265 O LYS A 79 2.265 -7.806 -3.414 1.00 0.00 O ATOM 1266 CB LYS A 79 1.485 -7.239 -6.548 1.00 0.00 C ATOM 1267 CG LYS A 79 1.591 -7.371 -8.057 1.00 0.00 C ATOM 1268 CD LYS A 79 0.261 -7.088 -8.736 1.00 0.00 C ATOM 1269 CE LYS A 79 -0.725 -8.227 -8.528 1.00 0.00 C ATOM 1270 NZ LYS A 79 -0.618 -9.256 -9.599 1.00 0.00 N ATOM 0 H LYS A 79 0.796 -9.438 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 79 3.338 -8.316 -6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.461 -7.457 -6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.688 -6.206 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.346 -6.680 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.924 -8.377 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.161 -6.164 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.422 -6.935 -9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.544 -8.692 -7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.740 -7.830 -8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.306 -10.015 -9.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.816 -8.819 -10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.343 -9.654 -9.603 1.00 0.00 H new ATOM 1284 N THR A 80 3.829 -6.624 -4.519 1.00 0.00 N ATOM 1285 CA THR A 80 4.305 -5.934 -3.328 1.00 0.00 C ATOM 1286 C THR A 80 4.530 -4.451 -3.604 1.00 0.00 C ATOM 1287 O THR A 80 4.804 -4.055 -4.737 1.00 0.00 O ATOM 1288 CB THR A 80 5.617 -6.551 -2.807 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.571 -6.644 -3.871 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.369 -7.933 -2.220 1.00 0.00 C ATOM 0 H THR A 80 4.316 -6.367 -5.378 1.00 0.00 H new ATOM 0 HA THR A 80 3.532 -6.047 -2.568 1.00 0.00 H new ATOM 0 HB THR A 80 6.010 -5.905 -2.022 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.403 -7.036 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.309 -8.349 -1.859 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.664 -7.855 -1.392 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.955 -8.586 -2.989 1.00 0.00 H new ATOM 1298 N PHE A 81 4.412 -3.636 -2.562 1.00 0.00 N ATOM 1299 CA PHE A 81 4.602 -2.196 -2.693 1.00 0.00 C ATOM 1300 C PHE A 81 5.331 -1.630 -1.477 1.00 0.00 C ATOM 1301 O PHE A 81 4.903 -1.823 -0.340 1.00 0.00 O ATOM 1302 CB PHE A 81 3.253 -1.495 -2.864 1.00 0.00 C ATOM 1303 CG PHE A 81 2.607 -1.754 -4.195 1.00 0.00 C ATOM 1304 CD1 PHE A 81 2.005 -2.973 -4.462 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.602 -0.779 -5.179 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.410 -3.215 -5.686 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.008 -1.014 -6.404 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.412 -2.234 -6.659 1.00 0.00 C ATOM 0 H PHE A 81 4.186 -3.948 -1.617 1.00 0.00 H new ATOM 0 HA PHE A 81 5.212 -2.015 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.579 -1.823 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 81 3.392 -0.421 -2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.001 -3.743 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.068 0.176 -4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.944 -4.170 -5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.010 -0.244 -7.162 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.949 -2.420 -7.617 1.00 0.00 H new ATOM 1318 N GLU A 82 6.435 -0.932 -1.728 1.00 0.00 N ATOM 1319 CA GLU A 82 7.224 -0.341 -0.654 1.00 0.00 C ATOM 1320 C GLU A 82 7.119 1.182 -0.678 1.00 0.00 C ATOM 1321 O GLU A 82 7.646 1.837 -1.577 1.00 0.00 O ATOM 1322 CB GLU A 82 8.689 -0.764 -0.775 1.00 0.00 C ATOM 1323 CG GLU A 82 9.501 -0.512 0.484 1.00 0.00 C ATOM 1324 CD GLU A 82 10.632 -1.507 0.657 1.00 0.00 C ATOM 1325 OE1 GLU A 82 10.985 -2.183 -0.331 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.164 -1.610 1.783 1.00 0.00 O ATOM 0 H GLU A 82 6.802 -0.763 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 82 6.827 -0.701 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.733 -1.825 -1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.146 -0.227 -1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.912 0.497 0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.843 -0.560 1.352 1.00 0.00 H new ATOM 1333 N ILE A 83 6.435 1.737 0.317 1.00 0.00 N ATOM 1334 CA ILE A 83 6.261 3.181 0.411 1.00 0.00 C ATOM 1335 C ILE A 83 6.999 3.746 1.620 1.00 0.00 C ATOM 1336 O ILE A 83 7.240 3.039 2.599 1.00 0.00 O ATOM 1337 CB ILE A 83 4.773 3.564 0.508 1.00 0.00 C ATOM 1338 CG1 ILE A 83 3.978 2.896 -0.616 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.610 5.076 0.453 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.542 2.597 -0.246 1.00 0.00 C ATOM 0 H ILE A 83 5.993 1.209 1.069 1.00 0.00 H new ATOM 0 HA ILE A 83 6.679 3.609 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 83 4.384 3.211 1.463 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.991 3.543 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.473 1.967 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.552 5.331 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.148 5.530 1.285 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.012 5.451 -0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.040 2.124 -1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.520 1.925 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.030 3.526 0.007 1.00 0.00 H new ATOM 1352 N SER A 84 7.355 5.024 1.546 1.00 0.00 N ATOM 1353 CA SER A 84 8.067 5.685 2.634 1.00 0.00 C ATOM 1354 C SER A 84 7.256 6.854 3.184 1.00 0.00 C ATOM 1355 O SER A 84 6.777 7.700 2.430 1.00 0.00 O ATOM 1356 CB SER A 84 9.433 6.179 2.151 1.00 0.00 C ATOM 1357 OG SER A 84 10.160 6.780 3.209 1.00 0.00 O ATOM 0 H SER A 84 7.162 5.623 0.743 1.00 0.00 H new ATOM 0 HA SER A 84 8.212 4.959 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.002 5.344 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.299 6.898 1.343 1.00 0.00 H new ATOM 0 HG SER A 84 10.359 7.712 2.981 1.00 0.00 H new ATOM 1363 N ALA A 85 7.106 6.892 4.504 1.00 0.00 N ATOM 1364 CA ALA A 85 6.355 7.958 5.157 1.00 0.00 C ATOM 1365 C ALA A 85 7.237 9.176 5.408 1.00 0.00 C ATOM 1366 O ALA A 85 8.429 9.046 5.684 1.00 0.00 O ATOM 1367 CB ALA A 85 5.758 7.458 6.463 1.00 0.00 C ATOM 0 H ALA A 85 7.494 6.197 5.142 1.00 0.00 H new ATOM 0 HA ALA A 85 5.546 8.259 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.200 8.264 6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.088 6.623 6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.558 7.128 7.126 1.00 0.00 H new ATOM 1373 N SER A 86 6.642 10.361 5.309 1.00 0.00 N ATOM 1374 CA SER A 86 7.375 11.604 5.521 1.00 0.00 C ATOM 1375 C SER A 86 7.623 11.841 7.008 1.00 0.00 C ATOM 1376 O SER A 86 8.767 11.968 7.445 1.00 0.00 O ATOM 1377 CB SER A 86 6.603 12.784 4.927 1.00 0.00 C ATOM 1378 OG SER A 86 7.316 13.996 5.096 1.00 0.00 O ATOM 0 H SER A 86 5.655 10.486 5.084 1.00 0.00 H new ATOM 0 HA SER A 86 8.338 11.519 5.018 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.424 12.609 3.866 1.00 0.00 H new ATOM 0 HB3 SER A 86 5.627 12.863 5.406 1.00 0.00 H new ATOM 0 HG SER A 86 6.803 14.734 4.707 1.00 0.00 H new ATOM 1384 N ASP A 87 6.544 11.900 7.779 1.00 0.00 N ATOM 1385 CA ASP A 87 6.642 12.121 9.217 1.00 0.00 C ATOM 1386 C ASP A 87 5.928 11.015 9.988 1.00 0.00 C ATOM 1387 O ASP A 87 5.019 10.368 9.467 1.00 0.00 O ATOM 1388 CB ASP A 87 6.050 13.482 9.588 1.00 0.00 C ATOM 1389 CG ASP A 87 6.715 14.091 10.806 1.00 0.00 C ATOM 1390 OD1 ASP A 87 7.230 13.324 11.647 1.00 0.00 O ATOM 1391 OD2 ASP A 87 6.722 15.334 10.919 1.00 0.00 O ATOM 0 H ASP A 87 5.590 11.798 7.432 1.00 0.00 H new ATOM 0 HA ASP A 87 7.697 12.106 9.490 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.154 14.162 8.743 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.983 13.371 9.778 1.00 0.00 H new ATOM 1396 N LYS A 88 6.347 10.801 11.230 1.00 0.00 N ATOM 1397 CA LYS A 88 5.748 9.773 12.074 1.00 0.00 C ATOM 1398 C LYS A 88 4.228 9.780 11.944 1.00 0.00 C ATOM 1399 O LYS A 88 3.588 8.729 11.970 1.00 0.00 O ATOM 1400 CB LYS A 88 6.147 9.988 13.536 1.00 0.00 C ATOM 1401 CG LYS A 88 5.578 11.260 14.140 1.00 0.00 C ATOM 1402 CD LYS A 88 6.079 11.476 15.559 1.00 0.00 C ATOM 1403 CE LYS A 88 7.439 12.157 15.572 1.00 0.00 C ATOM 1404 NZ LYS A 88 8.123 12.004 16.886 1.00 0.00 N ATOM 0 H LYS A 88 7.100 11.326 11.675 1.00 0.00 H new ATOM 0 HA LYS A 88 6.119 8.803 11.742 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.812 9.134 14.125 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.234 10.017 13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.855 12.113 13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.489 11.208 14.141 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.362 12.083 16.111 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.146 10.517 16.072 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.064 11.734 14.786 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.317 13.217 15.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.046 12.482 16.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.538 12.430 17.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.263 10.994 17.089 1.00 0.00 H new ATOM 1418 N LYS A 89 3.656 10.971 11.802 1.00 0.00 N ATOM 1419 CA LYS A 89 2.212 11.115 11.665 1.00 0.00 C ATOM 1420 C LYS A 89 1.704 10.363 10.440 1.00 0.00 C ATOM 1421 O LYS A 89 0.791 9.543 10.536 1.00 0.00 O ATOM 1422 CB LYS A 89 1.834 12.594 11.562 1.00 0.00 C ATOM 1423 CG LYS A 89 0.351 12.858 11.758 1.00 0.00 C ATOM 1424 CD LYS A 89 -0.022 14.274 11.351 1.00 0.00 C ATOM 1425 CE LYS A 89 -1.529 14.480 11.366 1.00 0.00 C ATOM 1426 NZ LYS A 89 -1.891 15.911 11.563 1.00 0.00 N ATOM 0 H LYS A 89 4.171 11.851 11.779 1.00 0.00 H new ATOM 0 HA LYS A 89 1.744 10.687 12.552 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.396 13.157 12.307 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.135 12.970 10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.227 12.145 11.170 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.087 12.697 12.803 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.450 14.985 12.029 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.365 14.481 10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.954 14.124 10.427 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.970 13.881 12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.926 16.010 11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.508 16.244 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.492 16.480 10.789 1.00 0.00 H new ATOM 1440 N LYS A 90 2.303 10.645 9.287 1.00 0.00 N ATOM 1441 CA LYS A 90 1.913 9.994 8.042 1.00 0.00 C ATOM 1442 C LYS A 90 2.018 8.477 8.166 1.00 0.00 C ATOM 1443 O LYS A 90 1.025 7.762 8.026 1.00 0.00 O ATOM 1444 CB LYS A 90 2.793 10.484 6.890 1.00 0.00 C ATOM 1445 CG LYS A 90 2.597 11.953 6.557 1.00 0.00 C ATOM 1446 CD LYS A 90 1.574 12.142 5.450 1.00 0.00 C ATOM 1447 CE LYS A 90 0.180 12.374 6.013 1.00 0.00 C ATOM 1448 NZ LYS A 90 0.076 13.685 6.712 1.00 0.00 N ATOM 0 H LYS A 90 3.061 11.321 9.190 1.00 0.00 H new ATOM 0 HA LYS A 90 0.875 10.253 7.834 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.839 10.314 7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.581 9.888 6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.273 12.489 7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.549 12.388 6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.862 12.989 4.828 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.566 11.262 4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.550 12.335 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.070 11.571 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.917 13.995 6.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.417 13.585 7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.655 14.391 6.214 1.00 0.00 H new ATOM 1462 N LYS A 91 3.226 7.991 8.432 1.00 0.00 N ATOM 1463 CA LYS A 91 3.460 6.560 8.578 1.00 0.00 C ATOM 1464 C LYS A 91 2.278 5.882 9.265 1.00 0.00 C ATOM 1465 O LYS A 91 1.652 4.986 8.699 1.00 0.00 O ATOM 1466 CB LYS A 91 4.740 6.311 9.379 1.00 0.00 C ATOM 1467 CG LYS A 91 5.092 4.840 9.521 1.00 0.00 C ATOM 1468 CD LYS A 91 4.281 4.177 10.622 1.00 0.00 C ATOM 1469 CE LYS A 91 5.019 2.988 11.218 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.085 3.414 12.166 1.00 0.00 N ATOM 0 H LYS A 91 4.058 8.568 8.551 1.00 0.00 H new ATOM 0 HA LYS A 91 3.573 6.132 7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.568 6.829 8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.628 6.747 10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.911 4.329 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.155 4.739 9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.067 4.904 11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.322 3.848 10.221 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.309 2.343 11.736 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.461 2.396 10.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.564 2.574 12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.776 4.009 11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.660 3.957 12.945 1.00 0.00 H new ATOM 1484 N GLN A 92 1.980 6.317 10.484 1.00 0.00 N ATOM 1485 CA GLN A 92 0.872 5.752 11.246 1.00 0.00 C ATOM 1486 C GLN A 92 -0.455 5.983 10.530 1.00 0.00 C ATOM 1487 O GLN A 92 -1.047 5.051 9.987 1.00 0.00 O ATOM 1488 CB GLN A 92 0.823 6.366 12.646 1.00 0.00 C ATOM 1489 CG GLN A 92 -0.423 5.991 13.432 1.00 0.00 C ATOM 1490 CD GLN A 92 -0.266 4.687 14.188 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.460 3.790 13.758 1.00 0.00 O ATOM 1492 NE2 GLN A 92 -0.947 4.574 15.323 1.00 0.00 N ATOM 0 H GLN A 92 2.489 7.058 10.966 1.00 0.00 H new ATOM 0 HA GLN A 92 1.035 4.678 11.333 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.704 6.048 13.204 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.875 7.451 12.560 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.657 6.789 14.137 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -1.268 5.911 12.749 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.537 5.342 15.642 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.880 3.719 15.875 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.915 7.229 10.535 1.00 0.00 N ATOM 1502 CA GLU A 93 -2.173 7.581 9.887 1.00 0.00 C ATOM 1503 C GLU A 93 -2.358 6.792 8.593 1.00 0.00 C ATOM 1504 O GLU A 93 -3.482 6.496 8.189 1.00 0.00 O ATOM 1505 CB GLU A 93 -2.220 9.082 9.593 1.00 0.00 C ATOM 1506 CG GLU A 93 -2.347 9.942 10.838 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.781 10.075 11.312 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.498 9.053 11.324 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -4.186 11.201 11.670 1.00 0.00 O ATOM 0 H GLU A 93 -0.436 8.012 10.980 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.986 7.326 10.567 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.315 9.367 9.056 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.062 9.288 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.743 9.510 11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.943 10.933 10.633 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.246 6.456 7.949 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.284 5.702 6.701 1.00 0.00 C ATOM 1518 C TRP A 94 -1.476 4.213 6.970 1.00 0.00 C ATOM 1519 O TRP A 94 -2.427 3.603 6.480 1.00 0.00 O ATOM 1520 CB TRP A 94 0.003 5.927 5.906 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.084 7.079 4.951 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.424 8.334 5.132 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.717 7.082 3.667 1.00 0.00 C ATOM 1524 NE1 TRP A 94 0.144 9.117 4.038 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.554 8.372 3.125 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.404 6.120 2.921 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.055 8.722 1.873 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -1.900 6.469 1.680 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -1.723 7.760 1.165 1.00 0.00 C ATOM 0 H TRP A 94 -0.307 6.694 8.270 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.132 6.059 6.116 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.825 6.101 6.600 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.242 5.020 5.350 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.966 8.663 6.006 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.412 10.094 3.924 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.544 5.122 3.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -0.921 9.717 1.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.434 5.734 1.096 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.121 8.001 0.190 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.570 3.636 7.751 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.641 2.219 8.085 1.00 0.00 C ATOM 1542 C ILE A 95 -1.972 1.876 8.745 1.00 0.00 C ATOM 1543 O ILE A 95 -2.645 0.925 8.350 1.00 0.00 O ATOM 1544 CB ILE A 95 0.507 1.803 9.023 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.848 1.885 8.292 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.273 0.397 9.556 1.00 0.00 C ATOM 1547 CD1 ILE A 95 3.006 1.325 9.088 1.00 0.00 C ATOM 0 H ILE A 95 0.222 4.128 8.165 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.550 1.669 7.148 1.00 0.00 H new ATOM 0 HB ILE A 95 0.533 2.491 9.868 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.772 1.345 7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.056 2.927 8.047 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.093 0.117 10.217 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.665 0.369 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.224 -0.304 8.723 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.924 1.416 8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.109 1.880 10.020 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.820 0.274 9.310 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.346 2.659 9.752 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.598 2.439 10.467 1.00 0.00 C ATOM 1561 C GLN A 96 -4.788 2.517 9.516 1.00 0.00 C ATOM 1562 O GLN A 96 -5.676 1.666 9.548 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.757 3.468 11.588 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.114 3.044 12.898 1.00 0.00 C ATOM 1565 CD GLN A 96 -4.019 2.158 13.732 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -5.205 2.444 13.898 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -3.462 1.076 14.263 1.00 0.00 N ATOM 0 H GLN A 96 -1.800 3.451 10.091 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.569 1.440 10.902 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.319 4.413 11.267 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.819 3.649 11.756 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.186 2.513 12.688 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.850 3.932 13.473 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.475 0.878 14.099 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.021 0.443 14.835 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.799 3.543 8.672 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.879 3.730 7.711 1.00 0.00 C ATOM 1578 C ALA A 97 -5.994 2.533 6.774 1.00 0.00 C ATOM 1579 O ALA A 97 -7.070 1.956 6.618 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.661 5.008 6.915 1.00 0.00 C ATOM 0 H ALA A 97 -4.072 4.258 8.634 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.814 3.815 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.475 5.135 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.638 5.860 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.714 4.945 6.379 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.879 2.166 6.151 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.855 1.038 5.229 1.00 0.00 C ATOM 1588 C ILE A 98 -5.270 -0.252 5.929 1.00 0.00 C ATOM 1589 O ILE A 98 -6.130 -0.987 5.441 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.458 0.846 4.610 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.985 2.144 3.953 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.480 -0.290 3.597 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.480 2.254 3.846 1.00 0.00 C ATOM 0 H ILE A 98 -3.980 2.634 6.268 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.567 1.264 4.435 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.757 0.586 5.403 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.418 2.215 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.363 2.991 4.526 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.486 -0.414 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.779 -1.214 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.191 -0.057 2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.217 3.199 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.041 2.215 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.096 1.428 3.248 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.656 -0.521 7.076 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.963 -1.722 7.845 1.00 0.00 C ATOM 1607 C HIS A 99 -6.471 -1.900 7.995 1.00 0.00 C ATOM 1608 O HIS A 99 -7.021 -2.942 7.639 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.307 -1.651 9.225 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.954 -2.993 9.789 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.937 -3.181 10.701 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.489 -4.216 9.567 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.861 -4.463 11.014 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -3.793 -5.112 10.340 1.00 0.00 N ATOM 0 H HIS A 99 -3.943 0.076 7.494 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.565 -2.581 7.305 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.404 -1.045 9.158 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.982 -1.143 9.914 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.311 -4.445 8.905 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.157 -4.905 11.703 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.967 -6.116 10.386 1.00 0.00 H new ATOM 1623 N SER A 100 -7.134 -0.876 8.524 1.00 0.00 N ATOM 1624 CA SER A 100 -8.577 -0.922 8.724 1.00 0.00 C ATOM 1625 C SER A 100 -9.305 -1.091 7.395 1.00 0.00 C ATOM 1626 O SER A 100 -10.153 -1.972 7.244 1.00 0.00 O ATOM 1627 CB SER A 100 -9.057 0.352 9.423 1.00 0.00 C ATOM 1628 OG SER A 100 -10.469 0.368 9.541 1.00 0.00 O ATOM 0 H SER A 100 -6.694 -0.005 8.821 1.00 0.00 H new ATOM 0 HA SER A 100 -8.804 -1.782 9.354 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.605 0.420 10.413 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.726 1.225 8.861 1.00 0.00 H new ATOM 0 HG SER A 100 -10.750 1.191 9.992 1.00 0.00 H new ATOM 1634 N THR A 101 -8.969 -0.241 6.430 1.00 0.00 N ATOM 1635 CA THR A 101 -9.590 -0.294 5.113 1.00 0.00 C ATOM 1636 C THR A 101 -9.687 -1.729 4.608 1.00 0.00 C ATOM 1637 O THR A 101 -10.678 -2.113 3.986 1.00 0.00 O ATOM 1638 CB THR A 101 -8.807 0.547 4.087 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.725 1.907 4.529 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.472 0.491 2.720 1.00 0.00 C ATOM 0 H THR A 101 -8.269 0.493 6.536 1.00 0.00 H new ATOM 0 HA THR A 101 -10.593 0.119 5.221 1.00 0.00 H new ATOM 0 HB THR A 101 -7.803 0.132 4.001 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.958 2.010 5.131 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.901 1.092 2.013 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.506 -0.542 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.487 0.882 2.793 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.653 -2.518 4.881 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.624 -3.912 4.456 1.00 0.00 C ATOM 1650 C ILE A 102 -9.558 -4.766 5.306 1.00 0.00 C ATOM 1651 O ILE A 102 -10.341 -5.559 4.782 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.200 -4.494 4.534 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.264 -3.738 3.589 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.216 -5.978 4.198 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -4.797 -3.952 3.892 1.00 0.00 C ATOM 0 H ILE A 102 -7.825 -2.216 5.394 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.960 -3.933 3.419 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.830 -4.376 5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.465 -4.051 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.487 -2.673 3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.203 -6.375 4.257 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.854 -6.505 4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.602 -6.118 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.193 -3.386 3.183 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.581 -3.612 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.559 -5.012 3.807 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.471 -4.598 6.622 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.310 -5.352 7.546 1.00 0.00 C ATOM 1669 C HIS A 103 -11.770 -5.321 7.103 1.00 0.00 C ATOM 1670 O HIS A 103 -12.477 -6.326 7.190 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.182 -4.787 8.961 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.153 -5.383 9.934 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -12.503 -5.463 9.901 1.00 0.00 N flip ATOM 1674 CD2 HIS A 103 -10.763 -5.988 11.110 1.00 0.00 C flip ATOM 1675 CE1 HIS A 103 -12.901 -6.109 11.045 1.00 0.00 C flip ATOM 1676 NE2 HIS A 103 -11.832 -6.416 11.758 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.828 -3.946 7.072 1.00 0.00 H new ATOM 0 HA HIS A 103 -9.970 -6.388 7.544 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.168 -4.958 9.321 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.330 -3.708 8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.743 -6.095 11.449 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -13.922 -6.330 11.318 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.832 -6.901 12.655 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.215 -4.162 6.630 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.591 -4.000 6.174 1.00 0.00 C ATOM 1687 C LEU A 104 -13.918 -4.995 5.066 1.00 0.00 C ATOM 1688 O LEU A 104 -15.059 -5.440 4.932 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.819 -2.572 5.676 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.499 -1.455 6.670 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.527 -0.101 5.979 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.477 -1.482 7.835 1.00 0.00 C ATOM 0 H LEU A 104 -11.643 -3.321 6.552 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.253 -4.194 7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.214 -2.420 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.862 -2.476 5.375 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.495 -1.619 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.297 0.681 6.702 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.786 -0.085 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.518 0.073 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.234 -0.680 8.532 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.492 -1.343 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.407 -2.442 8.347 1.00 0.00 H new ATOM 1704 N LEU A 105 -12.910 -5.344 4.274 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.090 -6.289 3.177 1.00 0.00 C ATOM 1706 C LEU A 105 -13.183 -7.719 3.701 1.00 0.00 C ATOM 1707 O LEU A 105 -13.840 -8.570 3.101 1.00 0.00 O ATOM 1708 CB LEU A 105 -11.933 -6.173 2.183 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.032 -5.032 1.169 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.695 -4.815 0.477 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.123 -5.320 0.148 1.00 0.00 C ATOM 0 H LEU A 105 -11.960 -4.987 4.371 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.023 -6.045 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.007 -6.053 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -11.854 -7.113 1.636 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.293 -4.118 1.703 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.785 -4.000 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.938 -4.563 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.403 -5.727 -0.044 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.180 -4.498 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.891 -6.244 -0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.081 -5.424 0.658 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.523 -7.976 4.825 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.533 -9.301 5.433 1.00 0.00 C ATOM 1725 C LYS A 106 -13.951 -9.711 5.819 1.00 0.00 C ATOM 1726 O LYS A 106 -14.335 -10.872 5.666 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.630 -9.325 6.669 1.00 0.00 C ATOM 1728 CG LYS A 106 -10.158 -9.135 6.349 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.318 -9.064 7.613 1.00 0.00 C ATOM 1730 CE LYS A 106 -7.844 -8.869 7.293 1.00 0.00 C ATOM 1731 NZ LYS A 106 -7.013 -8.789 8.526 1.00 0.00 N ATOM 0 H LYS A 106 -11.974 -7.283 5.334 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.154 -10.013 4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.948 -8.541 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.761 -10.275 7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.811 -9.959 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.025 -8.221 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.668 -8.242 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.448 -9.980 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.495 -9.695 6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -7.717 -7.957 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.015 -8.656 8.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.329 -7.986 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.114 -9.669 9.070 1.00 0.00 H new