USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 448 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 34 LYS NZ :NH3+ 171:sc= 0.728 (180deg=0.497) USER MOD Set 1.2: A 37 GLN : amide:sc= -0.913 K(o=-0.18,f=-2.7!) USER MOD Set 2.1: A 1 MET CE :methyl -150:sc= -0.708 (180deg=-0.814) USER MOD Set 2.2: A 43 ASN : amide:sc= 1.16 K(o=0.45,f=-6.8!) USER MOD Single : A 0 SER N :NH3+ 151:sc= 0.731 (180deg=-0.117) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0.158 X(o=0.16,f=-0.097) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.197 X(o=0.2,f=-0.19) USER MOD Single : A 13 MET CE :methyl 143:sc= -1.44 (180deg=-3.46!) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0134) USER MOD Single : A 19 THR OG1 : rot 160:sc= 0.0152 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0682 (180deg=-0.309) USER MOD Single : A 33 MET CE :methyl -118:sc= 0 (180deg=-0.15) USER MOD Single : A 38 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.2!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.05 K(o=1,f=-5.9!) USER MOD Single : A 52 LYS NZ :NH3+ -167:sc= -0.0521 (180deg=-0.297) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 0.576 -10.260 -3.029 1.00 0.00 N ATOM 2 CA SER A 0 -0.671 -10.763 -3.563 1.00 0.00 C ATOM 3 C SER A 0 -1.756 -9.678 -3.561 1.00 0.00 C ATOM 4 O SER A 0 -2.312 -9.350 -4.614 1.00 0.00 O ATOM 5 CB SER A 0 -1.110 -12.000 -2.779 1.00 0.00 C ATOM 6 OG SER A 0 -0.710 -11.913 -1.413 1.00 0.00 O ATOM 0 H1 SER A 0 1.105 -11.040 -2.589 1.00 0.00 H new ATOM 0 H2 SER A 0 1.142 -9.848 -3.798 1.00 0.00 H new ATOM 0 H3 SER A 0 0.379 -9.530 -2.315 1.00 0.00 H new ATOM 0 HA SER A 0 -0.515 -11.052 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 0 -2.193 -12.105 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 0 -0.678 -12.893 -3.231 1.00 0.00 H new ATOM 0 HG SER A 0 -1.004 -12.716 -0.934 1.00 0.00 H new ATOM 14 N MET A 1 -2.024 -9.083 -2.404 1.00 0.00 N ATOM 15 CA MET A 1 -3.083 -8.081 -2.316 1.00 0.00 C ATOM 16 C MET A 1 -2.532 -6.688 -2.569 1.00 0.00 C ATOM 17 O MET A 1 -1.847 -6.093 -1.710 1.00 0.00 O ATOM 18 CB MET A 1 -3.861 -8.162 -0.989 1.00 0.00 C ATOM 19 CG MET A 1 -3.004 -8.172 0.268 1.00 0.00 C ATOM 20 SD MET A 1 -3.967 -8.296 1.803 1.00 0.00 S ATOM 21 CE MET A 1 -5.291 -7.102 1.516 1.00 0.00 C ATOM 0 H MET A 1 -1.534 -9.271 -1.529 1.00 0.00 H new ATOM 0 HA MET A 1 -3.805 -8.302 -3.102 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.545 -7.315 -0.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.472 -9.065 -1.000 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.308 -9.009 0.217 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.405 -7.262 0.297 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.613 -6.680 2.468 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.927 -6.304 0.869 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.134 -7.601 1.037 1.00 0.00 H new ATOM 31 N ASN A 2 -2.832 -6.182 -3.734 1.00 0.00 N ATOM 32 CA ASN A 2 -2.293 -4.929 -4.227 1.00 0.00 C ATOM 33 C ASN A 2 -3.135 -3.721 -3.877 1.00 0.00 C ATOM 34 O ASN A 2 -4.353 -3.695 -4.075 1.00 0.00 O ATOM 35 CB ASN A 2 -2.073 -4.981 -5.746 1.00 0.00 C ATOM 36 CG ASN A 2 -0.699 -5.501 -6.141 1.00 0.00 C ATOM 37 OD1 ASN A 2 -0.563 -6.254 -7.102 1.00 0.00 O ATOM 38 ND2 ASN A 2 0.323 -5.078 -5.447 1.00 0.00 N ATOM 0 H ASN A 2 -3.472 -6.634 -4.387 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.337 -4.808 -3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.836 -5.617 -6.194 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.207 -3.981 -6.159 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.267 -5.372 -5.698 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.178 -4.453 -4.654 1.00 0.00 H new ATOM 45 N ARG A 3 -2.459 -2.739 -3.356 1.00 0.00 N ATOM 46 CA ARG A 3 -2.996 -1.450 -3.032 1.00 0.00 C ATOM 47 C ARG A 3 -2.340 -0.458 -3.989 1.00 0.00 C ATOM 48 O ARG A 3 -1.208 -0.696 -4.447 1.00 0.00 O ATOM 49 CB ARG A 3 -2.603 -1.086 -1.601 1.00 0.00 C ATOM 50 CG ARG A 3 -3.505 -0.072 -0.917 1.00 0.00 C ATOM 51 CD ARG A 3 -4.652 -0.778 -0.240 1.00 0.00 C ATOM 52 NE ARG A 3 -5.503 0.121 0.560 1.00 0.00 N ATOM 53 CZ ARG A 3 -5.912 -0.129 1.813 1.00 0.00 C ATOM 54 NH1 ARG A 3 -5.500 -1.220 2.464 1.00 0.00 N ATOM 55 NH2 ARG A 3 -6.736 0.711 2.409 1.00 0.00 N ATOM 0 H ARG A 3 -1.467 -2.820 -3.134 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.083 -1.439 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.589 -1.997 -1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.586 -0.695 -1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.935 0.499 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.886 0.640 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.265 -1.268 -0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.256 -1.562 0.406 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.802 0.996 0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.866 -1.876 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.820 -1.397 3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.058 1.545 1.917 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.051 0.527 3.362 1.00 0.00 H new ATOM 69 N LEU A 4 -3.007 0.620 -4.289 1.00 0.00 N ATOM 70 CA LEU A 4 -2.466 1.613 -5.204 1.00 0.00 C ATOM 71 C LEU A 4 -2.217 2.916 -4.476 1.00 0.00 C ATOM 72 O LEU A 4 -3.124 3.466 -3.837 1.00 0.00 O ATOM 73 CB LEU A 4 -3.434 1.852 -6.367 1.00 0.00 C ATOM 74 CG LEU A 4 -3.739 0.650 -7.272 1.00 0.00 C ATOM 75 CD1 LEU A 4 -4.761 1.031 -8.329 1.00 0.00 C ATOM 76 CD2 LEU A 4 -2.468 0.128 -7.930 1.00 0.00 C ATOM 0 H LEU A 4 -3.930 0.844 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.522 1.237 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.376 2.215 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.028 2.651 -6.988 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.153 -0.145 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.967 0.169 -8.963 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.682 1.354 -7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.368 1.844 -8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.711 -0.723 -8.566 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.021 0.917 -8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.762 -0.184 -7.161 1.00 0.00 H new ATOM 88 N GLY A 5 -1.010 3.411 -4.566 1.00 0.00 N ATOM 89 CA GLY A 5 -0.689 4.646 -3.919 1.00 0.00 C ATOM 90 C GLY A 5 0.365 5.380 -4.653 1.00 0.00 C ATOM 91 O GLY A 5 1.133 4.787 -5.398 1.00 0.00 O ATOM 0 H GLY A 5 -0.241 2.978 -5.078 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.584 5.265 -3.848 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.356 4.449 -2.900 1.00 0.00 H new ATOM 95 N ILE A 6 0.398 6.651 -4.458 1.00 0.00 N ATOM 96 CA ILE A 6 1.346 7.509 -5.108 1.00 0.00 C ATOM 97 C ILE A 6 2.465 7.802 -4.154 1.00 0.00 C ATOM 98 O ILE A 6 2.209 8.145 -2.999 1.00 0.00 O ATOM 99 CB ILE A 6 0.674 8.839 -5.554 1.00 0.00 C ATOM 100 CG1 ILE A 6 -0.608 8.543 -6.349 1.00 0.00 C ATOM 101 CG2 ILE A 6 1.638 9.677 -6.393 1.00 0.00 C ATOM 102 CD1 ILE A 6 -1.460 9.760 -6.628 1.00 0.00 C ATOM 0 H ILE A 6 -0.242 7.140 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 6 1.730 7.008 -5.997 1.00 0.00 H new ATOM 0 HB ILE A 6 0.412 9.410 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.335 8.080 -7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.204 7.815 -5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.148 10.603 -6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.524 9.911 -5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.930 9.116 -7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.344 9.464 -7.193 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.767 10.213 -5.685 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.885 10.482 -7.208 1.00 0.00 H new ATOM 114 N ILE A 7 3.696 7.625 -4.606 1.00 0.00 N ATOM 115 CA ILE A 7 4.849 7.927 -3.789 1.00 0.00 C ATOM 116 C ILE A 7 4.868 9.407 -3.528 1.00 0.00 C ATOM 117 O ILE A 7 5.194 10.204 -4.407 1.00 0.00 O ATOM 118 CB ILE A 7 6.186 7.516 -4.455 1.00 0.00 C ATOM 119 CG1 ILE A 7 6.176 6.032 -4.831 1.00 0.00 C ATOM 120 CG2 ILE A 7 7.367 7.822 -3.524 1.00 0.00 C ATOM 121 CD1 ILE A 7 6.108 5.093 -3.649 1.00 0.00 C ATOM 0 H ILE A 7 3.918 7.273 -5.537 1.00 0.00 H new ATOM 0 HA ILE A 7 4.762 7.354 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 7 6.302 8.099 -5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.324 5.840 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.074 5.809 -5.407 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.298 7.527 -4.008 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.393 8.890 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 7 7.250 7.267 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.105 4.062 -4.003 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.974 5.254 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.196 5.285 -3.084 1.00 0.00 H new ATOM 133 N TYR A 8 4.478 9.750 -2.353 1.00 0.00 N ATOM 134 CA TYR A 8 4.374 11.101 -1.939 1.00 0.00 C ATOM 135 C TYR A 8 5.713 11.563 -1.423 1.00 0.00 C ATOM 136 O TYR A 8 6.126 12.684 -1.671 1.00 0.00 O ATOM 137 CB TYR A 8 3.309 11.195 -0.840 1.00 0.00 C ATOM 138 CG TYR A 8 2.932 12.594 -0.430 1.00 0.00 C ATOM 139 CD1 TYR A 8 1.898 13.267 -1.061 1.00 0.00 C ATOM 140 CD2 TYR A 8 3.600 13.236 0.600 1.00 0.00 C ATOM 141 CE1 TYR A 8 1.540 14.543 -0.670 1.00 0.00 C ATOM 142 CE2 TYR A 8 3.255 14.504 0.990 1.00 0.00 C ATOM 143 CZ TYR A 8 2.226 15.156 0.356 1.00 0.00 C ATOM 144 OH TYR A 8 1.872 16.424 0.765 1.00 0.00 O ATOM 0 H TYR A 8 4.215 9.078 -1.632 1.00 0.00 H new ATOM 0 HA TYR A 8 4.083 11.739 -2.774 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.411 10.679 -1.181 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.669 10.661 0.039 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.365 12.788 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.408 12.728 1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.729 15.056 -1.165 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.791 14.989 1.793 1.00 0.00 H new ATOM 0 HH TYR A 8 2.457 16.706 1.499 1.00 0.00 H new ATOM 154 N GLU A 9 6.402 10.681 -0.737 1.00 0.00 N ATOM 155 CA GLU A 9 7.654 11.015 -0.121 1.00 0.00 C ATOM 156 C GLU A 9 8.419 9.730 0.147 1.00 0.00 C ATOM 157 O GLU A 9 7.840 8.636 0.100 1.00 0.00 O ATOM 158 CB GLU A 9 7.382 11.761 1.194 1.00 0.00 C ATOM 159 CG GLU A 9 8.509 12.652 1.682 1.00 0.00 C ATOM 160 CD GLU A 9 8.133 13.367 2.949 1.00 0.00 C ATOM 161 OE1 GLU A 9 8.351 12.802 4.048 1.00 0.00 O ATOM 162 OE2 GLU A 9 7.577 14.491 2.875 1.00 0.00 O ATOM 0 H GLU A 9 6.107 9.715 -0.593 1.00 0.00 H new ATOM 0 HA GLU A 9 8.245 11.657 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.488 12.371 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.160 11.027 1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.402 12.051 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.758 13.381 0.911 1.00 0.00 H new ATOM 169 N ILE A 10 9.687 9.857 0.415 1.00 0.00 N ATOM 170 CA ILE A 10 10.542 8.741 0.705 1.00 0.00 C ATOM 171 C ILE A 10 11.105 8.941 2.087 1.00 0.00 C ATOM 172 O ILE A 10 11.415 10.068 2.473 1.00 0.00 O ATOM 173 CB ILE A 10 11.702 8.634 -0.336 1.00 0.00 C ATOM 174 CG1 ILE A 10 11.144 8.283 -1.723 1.00 0.00 C ATOM 175 CG2 ILE A 10 12.775 7.630 0.093 1.00 0.00 C ATOM 176 CD1 ILE A 10 10.548 6.890 -1.842 1.00 0.00 C ATOM 0 H ILE A 10 10.165 10.758 0.439 1.00 0.00 H new ATOM 0 HA ILE A 10 9.969 7.815 0.651 1.00 0.00 H new ATOM 0 HB ILE A 10 12.186 9.609 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.378 9.013 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.944 8.383 -2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.560 7.591 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.204 7.941 1.046 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.327 6.642 0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.181 6.737 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.313 6.147 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.722 6.786 -1.138 1.00 0.00 H new ATOM 188 N GLN A 11 11.189 7.886 2.832 1.00 0.00 N ATOM 189 CA GLN A 11 11.718 7.937 4.152 1.00 0.00 C ATOM 190 C GLN A 11 12.795 6.882 4.275 1.00 0.00 C ATOM 191 O GLN A 11 12.576 5.824 4.859 1.00 0.00 O ATOM 192 CB GLN A 11 10.599 7.695 5.169 1.00 0.00 C ATOM 193 CG GLN A 11 10.601 8.683 6.313 1.00 0.00 C ATOM 194 CD GLN A 11 10.354 10.124 5.875 1.00 0.00 C ATOM 195 OE1 GLN A 11 10.931 11.051 6.443 1.00 0.00 O ATOM 196 NE2 GLN A 11 9.501 10.331 4.892 1.00 0.00 N ATOM 0 H GLN A 11 10.889 6.957 2.536 1.00 0.00 H new ATOM 0 HA GLN A 11 12.148 8.918 4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.637 7.744 4.658 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.695 6.686 5.570 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.835 8.394 7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.560 8.628 6.828 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.040 9.540 4.442 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.302 11.282 4.581 1.00 0.00 H new ATOM 205 N GLY A 12 13.938 7.158 3.678 1.00 0.00 N ATOM 206 CA GLY A 12 15.043 6.225 3.677 1.00 0.00 C ATOM 207 C GLY A 12 14.700 4.959 2.920 1.00 0.00 C ATOM 208 O GLY A 12 14.630 4.956 1.682 1.00 0.00 O ATOM 0 H GLY A 12 14.124 8.030 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.917 6.695 3.225 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.310 5.975 4.704 1.00 0.00 H new ATOM 212 N MET A 13 14.428 3.900 3.657 1.00 0.00 N ATOM 213 CA MET A 13 14.073 2.631 3.063 1.00 0.00 C ATOM 214 C MET A 13 12.577 2.402 3.139 1.00 0.00 C ATOM 215 O MET A 13 12.084 1.294 2.891 1.00 0.00 O ATOM 216 CB MET A 13 14.835 1.471 3.699 1.00 0.00 C ATOM 217 CG MET A 13 16.265 1.286 3.191 1.00 0.00 C ATOM 218 SD MET A 13 16.376 0.400 1.601 1.00 0.00 S ATOM 219 CE MET A 13 15.990 1.691 0.409 1.00 0.00 C ATOM 0 H MET A 13 14.447 3.897 4.677 1.00 0.00 H new ATOM 0 HA MET A 13 14.363 2.670 2.013 1.00 0.00 H new ATOM 0 HB2 MET A 13 14.865 1.623 4.778 1.00 0.00 H new ATOM 0 HB3 MET A 13 14.280 0.550 3.522 1.00 0.00 H new ATOM 0 HG2 MET A 13 16.731 2.265 3.083 1.00 0.00 H new ATOM 0 HG3 MET A 13 16.839 0.741 3.940 1.00 0.00 H new ATOM 0 HE1 MET A 13 16.602 1.558 -0.483 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.936 1.632 0.138 1.00 0.00 H new ATOM 0 HE3 MET A 13 16.198 2.666 0.849 1.00 0.00 H new ATOM 229 N LYS A 14 11.857 3.438 3.482 1.00 0.00 N ATOM 230 CA LYS A 14 10.425 3.402 3.509 1.00 0.00 C ATOM 231 C LYS A 14 9.897 4.403 2.514 1.00 0.00 C ATOM 232 O LYS A 14 10.618 5.321 2.106 1.00 0.00 O ATOM 233 CB LYS A 14 9.898 3.750 4.892 1.00 0.00 C ATOM 234 CG LYS A 14 10.422 2.871 5.996 1.00 0.00 C ATOM 235 CD LYS A 14 9.686 3.125 7.286 1.00 0.00 C ATOM 236 CE LYS A 14 10.172 2.207 8.381 1.00 0.00 C ATOM 237 NZ LYS A 14 11.514 2.574 8.857 1.00 0.00 N ATOM 0 H LYS A 14 12.256 4.337 3.752 1.00 0.00 H new ATOM 0 HA LYS A 14 10.093 2.395 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.155 4.785 5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.810 3.687 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.316 1.824 5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.487 3.056 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.825 4.163 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.617 2.979 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.471 2.237 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.187 1.181 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.780 1.960 9.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.201 2.456 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.512 3.566 9.170 1.00 0.00 H new ATOM 251 N ALA A 15 8.686 4.237 2.112 1.00 0.00 N ATOM 252 CA ALA A 15 8.068 5.153 1.207 1.00 0.00 C ATOM 253 C ALA A 15 6.716 5.546 1.733 1.00 0.00 C ATOM 254 O ALA A 15 6.013 4.726 2.333 1.00 0.00 O ATOM 255 CB ALA A 15 7.952 4.553 -0.187 1.00 0.00 C ATOM 0 H ALA A 15 8.090 3.461 2.400 1.00 0.00 H new ATOM 0 HA ALA A 15 8.692 6.043 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.478 5.273 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.946 4.310 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.349 3.646 -0.144 1.00 0.00 H new ATOM 261 N VAL A 16 6.377 6.787 1.542 1.00 0.00 N ATOM 262 CA VAL A 16 5.095 7.309 1.941 1.00 0.00 C ATOM 263 C VAL A 16 4.212 7.303 0.725 1.00 0.00 C ATOM 264 O VAL A 16 4.480 8.018 -0.248 1.00 0.00 O ATOM 265 CB VAL A 16 5.189 8.769 2.482 1.00 0.00 C ATOM 266 CG1 VAL A 16 3.815 9.295 2.888 1.00 0.00 C ATOM 267 CG2 VAL A 16 6.141 8.856 3.657 1.00 0.00 C ATOM 0 H VAL A 16 6.986 7.476 1.101 1.00 0.00 H new ATOM 0 HA VAL A 16 4.700 6.689 2.746 1.00 0.00 H new ATOM 0 HB VAL A 16 5.575 9.390 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.911 10.315 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 16 3.152 9.286 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.399 8.660 3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.186 9.885 4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.788 8.209 4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.135 8.536 3.344 1.00 0.00 H new ATOM 277 N VAL A 17 3.211 6.494 0.749 1.00 0.00 N ATOM 278 CA VAL A 17 2.306 6.399 -0.353 1.00 0.00 C ATOM 279 C VAL A 17 0.986 7.010 -0.011 1.00 0.00 C ATOM 280 O VAL A 17 0.397 6.710 1.029 1.00 0.00 O ATOM 281 CB VAL A 17 2.082 4.946 -0.846 1.00 0.00 C ATOM 282 CG1 VAL A 17 3.165 4.537 -1.810 1.00 0.00 C ATOM 283 CG2 VAL A 17 2.011 3.967 0.314 1.00 0.00 C ATOM 0 H VAL A 17 2.993 5.877 1.531 1.00 0.00 H new ATOM 0 HA VAL A 17 2.777 6.950 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 17 1.123 4.921 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.988 3.514 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.157 5.206 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.134 4.595 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.853 2.959 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.945 4.000 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.184 4.239 0.970 1.00 0.00 H new ATOM 293 N LEU A 18 0.550 7.883 -0.852 1.00 0.00 N ATOM 294 CA LEU A 18 -0.741 8.456 -0.743 1.00 0.00 C ATOM 295 C LEU A 18 -1.637 7.586 -1.581 1.00 0.00 C ATOM 296 O LEU A 18 -1.557 7.611 -2.813 1.00 0.00 O ATOM 297 CB LEU A 18 -0.729 9.901 -1.254 1.00 0.00 C ATOM 298 CG LEU A 18 -2.077 10.623 -1.308 1.00 0.00 C ATOM 299 CD1 LEU A 18 -2.648 10.802 0.084 1.00 0.00 C ATOM 300 CD2 LEU A 18 -1.933 11.969 -2.002 1.00 0.00 C ATOM 0 H LEU A 18 1.092 8.222 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.086 8.499 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.058 10.480 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.301 9.904 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.769 10.009 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.606 11.318 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.791 9.826 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.958 11.392 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.901 12.469 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.222 12.587 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.572 11.817 -3.019 1.00 0.00 H new ATOM 312 N THR A 19 -2.406 6.762 -0.928 1.00 0.00 N ATOM 313 CA THR A 19 -3.246 5.806 -1.597 1.00 0.00 C ATOM 314 C THR A 19 -4.338 6.495 -2.390 1.00 0.00 C ATOM 315 O THR A 19 -4.624 7.681 -2.164 1.00 0.00 O ATOM 316 CB THR A 19 -3.879 4.837 -0.584 1.00 0.00 C ATOM 317 OG1 THR A 19 -4.510 5.571 0.481 1.00 0.00 O ATOM 318 CG2 THR A 19 -2.828 3.905 -0.014 1.00 0.00 C ATOM 0 H THR A 19 -2.469 6.733 0.090 1.00 0.00 H new ATOM 0 HA THR A 19 -2.617 5.244 -2.287 1.00 0.00 H new ATOM 0 HB THR A 19 -4.633 4.243 -1.101 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.165 4.997 0.931 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.293 3.226 0.701 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.377 3.328 -0.821 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.058 4.490 0.489 1.00 0.00 H new ATOM 326 N SER A 20 -4.981 5.760 -3.290 1.00 0.00 N ATOM 327 CA SER A 20 -6.075 6.311 -4.073 1.00 0.00 C ATOM 328 C SER A 20 -7.301 6.638 -3.191 1.00 0.00 C ATOM 329 O SER A 20 -8.292 7.184 -3.654 1.00 0.00 O ATOM 330 CB SER A 20 -6.427 5.371 -5.228 1.00 0.00 C ATOM 331 OG SER A 20 -6.431 4.003 -4.822 1.00 0.00 O ATOM 0 H SER A 20 -4.763 4.785 -3.493 1.00 0.00 H new ATOM 0 HA SER A 20 -5.747 7.258 -4.502 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.408 5.635 -5.624 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.710 5.507 -6.037 1.00 0.00 H new ATOM 0 HG SER A 20 -6.662 3.435 -5.587 1.00 0.00 H new ATOM 337 N GLU A 21 -7.200 6.286 -1.921 1.00 0.00 N ATOM 338 CA GLU A 21 -8.206 6.567 -0.927 1.00 0.00 C ATOM 339 C GLU A 21 -7.899 7.905 -0.243 1.00 0.00 C ATOM 340 O GLU A 21 -8.719 8.433 0.505 1.00 0.00 O ATOM 341 CB GLU A 21 -8.200 5.465 0.109 1.00 0.00 C ATOM 342 CG GLU A 21 -8.415 4.085 -0.469 1.00 0.00 C ATOM 343 CD GLU A 21 -7.813 3.018 0.387 1.00 0.00 C ATOM 344 OE1 GLU A 21 -6.708 2.545 0.079 1.00 0.00 O ATOM 345 OE2 GLU A 21 -8.423 2.630 1.400 1.00 0.00 O ATOM 0 H GLU A 21 -6.393 5.784 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.184 6.622 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.248 5.483 0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.979 5.666 0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.484 3.901 -0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.979 4.038 -1.467 1.00 0.00 H new ATOM 352 N GLY A 22 -6.711 8.441 -0.501 1.00 0.00 N ATOM 353 CA GLY A 22 -6.318 9.694 0.088 1.00 0.00 C ATOM 354 C GLY A 22 -5.685 9.523 1.453 1.00 0.00 C ATOM 355 O GLY A 22 -5.748 10.421 2.285 1.00 0.00 O ATOM 0 H GLY A 22 -6.012 8.021 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.614 10.198 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.192 10.340 0.175 1.00 0.00 H new ATOM 359 N GLU A 23 -5.068 8.388 1.681 1.00 0.00 N ATOM 360 CA GLU A 23 -4.434 8.115 2.953 1.00 0.00 C ATOM 361 C GLU A 23 -2.935 7.970 2.770 1.00 0.00 C ATOM 362 O GLU A 23 -2.486 7.476 1.744 1.00 0.00 O ATOM 363 CB GLU A 23 -5.011 6.841 3.567 1.00 0.00 C ATOM 364 CG GLU A 23 -6.452 6.966 4.014 1.00 0.00 C ATOM 365 CD GLU A 23 -6.616 7.970 5.121 1.00 0.00 C ATOM 366 OE1 GLU A 23 -5.954 7.827 6.169 1.00 0.00 O ATOM 367 OE2 GLU A 23 -7.414 8.915 4.978 1.00 0.00 O ATOM 0 H GLU A 23 -4.990 7.633 0.999 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.628 8.950 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.937 6.034 2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.400 6.555 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.070 7.259 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.812 5.994 4.351 1.00 0.00 H new ATOM 374 N PHE A 24 -2.169 8.415 3.740 1.00 0.00 N ATOM 375 CA PHE A 24 -0.724 8.287 3.677 1.00 0.00 C ATOM 376 C PHE A 24 -0.295 7.054 4.442 1.00 0.00 C ATOM 377 O PHE A 24 -0.444 6.981 5.676 1.00 0.00 O ATOM 378 CB PHE A 24 -0.002 9.513 4.254 1.00 0.00 C ATOM 379 CG PHE A 24 -0.315 10.816 3.584 1.00 0.00 C ATOM 380 CD1 PHE A 24 -1.443 11.541 3.932 1.00 0.00 C ATOM 381 CD2 PHE A 24 0.528 11.323 2.615 1.00 0.00 C ATOM 382 CE1 PHE A 24 -1.721 12.744 3.327 1.00 0.00 C ATOM 383 CE2 PHE A 24 0.251 12.525 2.007 1.00 0.00 C ATOM 384 CZ PHE A 24 -0.874 13.237 2.361 1.00 0.00 C ATOM 0 H PHE A 24 -2.519 8.869 4.584 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.449 8.205 2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.253 9.598 5.311 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.073 9.342 4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.112 11.157 4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.412 10.771 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.602 13.301 3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.917 12.912 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.091 14.180 1.881 1.00 0.00 H new ATOM 394 N LEU A 25 0.213 6.100 3.735 1.00 0.00 N ATOM 395 CA LEU A 25 0.671 4.876 4.331 1.00 0.00 C ATOM 396 C LEU A 25 2.170 4.769 4.183 1.00 0.00 C ATOM 397 O LEU A 25 2.754 5.360 3.268 1.00 0.00 O ATOM 398 CB LEU A 25 -0.021 3.650 3.707 1.00 0.00 C ATOM 399 CG LEU A 25 -1.418 3.285 4.254 1.00 0.00 C ATOM 400 CD1 LEU A 25 -2.478 4.279 3.815 1.00 0.00 C ATOM 401 CD2 LEU A 25 -1.799 1.892 3.822 1.00 0.00 C ATOM 0 H LEU A 25 0.325 6.142 2.722 1.00 0.00 H new ATOM 0 HA LEU A 25 0.412 4.893 5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.110 3.820 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.632 2.787 3.840 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.364 3.324 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.445 3.983 4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.219 5.273 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.533 4.296 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.786 1.647 4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.818 1.841 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.069 1.180 4.206 1.00 0.00 H new ATOM 413 N ILE A 26 2.783 4.049 5.073 1.00 0.00 N ATOM 414 CA ILE A 26 4.205 3.857 5.066 1.00 0.00 C ATOM 415 C ILE A 26 4.481 2.435 4.631 1.00 0.00 C ATOM 416 O ILE A 26 4.045 1.478 5.283 1.00 0.00 O ATOM 417 CB ILE A 26 4.818 4.085 6.478 1.00 0.00 C ATOM 418 CG1 ILE A 26 4.373 5.439 7.071 1.00 0.00 C ATOM 419 CG2 ILE A 26 6.337 3.992 6.428 1.00 0.00 C ATOM 420 CD1 ILE A 26 4.836 6.658 6.293 1.00 0.00 C ATOM 0 H ILE A 26 2.304 3.571 5.836 1.00 0.00 H new ATOM 0 HA ILE A 26 4.657 4.577 4.384 1.00 0.00 H new ATOM 0 HB ILE A 26 4.447 3.297 7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.285 5.454 7.129 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.748 5.513 8.092 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.745 4.155 7.426 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.630 3.004 6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.726 4.751 5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.476 7.562 6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.925 6.674 6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.440 6.614 5.279 1.00 0.00 H new ATOM 432 N ILE A 27 5.153 2.286 3.540 1.00 0.00 N ATOM 433 CA ILE A 27 5.439 0.974 3.009 1.00 0.00 C ATOM 434 C ILE A 27 6.925 0.778 2.842 1.00 0.00 C ATOM 435 O ILE A 27 7.703 1.740 2.933 1.00 0.00 O ATOM 436 CB ILE A 27 4.757 0.748 1.633 1.00 0.00 C ATOM 437 CG1 ILE A 27 5.283 1.761 0.599 1.00 0.00 C ATOM 438 CG2 ILE A 27 3.249 0.850 1.772 1.00 0.00 C ATOM 439 CD1 ILE A 27 4.910 1.447 -0.829 1.00 0.00 C ATOM 0 H ILE A 27 5.523 3.058 2.985 1.00 0.00 H new ATOM 0 HA ILE A 27 5.043 0.254 3.725 1.00 0.00 H new ATOM 0 HB ILE A 27 5.002 -0.254 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.902 2.750 0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.369 1.809 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.782 0.690 0.800 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.896 0.094 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.984 1.840 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.321 2.211 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.315 0.473 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.824 1.430 -0.926 1.00 0.00 H new ATOM 451 N ARG A 28 7.309 -0.455 2.645 1.00 0.00 N ATOM 452 CA ARG A 28 8.675 -0.813 2.326 1.00 0.00 C ATOM 453 C ARG A 28 9.048 -0.195 0.988 1.00 0.00 C ATOM 454 O ARG A 28 8.337 -0.381 -0.005 1.00 0.00 O ATOM 455 CB ARG A 28 8.819 -2.335 2.213 1.00 0.00 C ATOM 456 CG ARG A 28 8.488 -3.110 3.473 1.00 0.00 C ATOM 457 CD ARG A 28 8.542 -4.598 3.211 1.00 0.00 C ATOM 458 NE ARG A 28 8.281 -5.399 4.412 1.00 0.00 N ATOM 459 CZ ARG A 28 8.463 -6.723 4.495 1.00 0.00 C ATOM 460 NH1 ARG A 28 8.812 -7.423 3.414 1.00 0.00 N ATOM 461 NH2 ARG A 28 8.264 -7.342 5.650 1.00 0.00 N ATOM 0 H ARG A 28 6.677 -1.254 2.701 1.00 0.00 H new ATOM 0 HA ARG A 28 9.328 -0.447 3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.172 -2.686 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.844 -2.566 1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.192 -2.848 4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.495 -2.833 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.811 -4.854 2.444 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.524 -4.857 2.814 1.00 0.00 H new ATOM 0 HE ARG A 28 7.937 -4.914 5.241 1.00 0.00 H new ATOM 0 HH11 ARG A 28 8.941 -6.950 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.950 -8.431 3.482 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.974 -6.810 6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.401 -8.350 5.718 1.00 0.00 H new ATOM 475 N ARG A 29 10.114 0.558 0.953 1.00 0.00 N ATOM 476 CA ARG A 29 10.546 1.132 -0.288 1.00 0.00 C ATOM 477 C ARG A 29 11.321 0.102 -1.071 1.00 0.00 C ATOM 478 O ARG A 29 12.237 -0.550 -0.543 1.00 0.00 O ATOM 479 CB ARG A 29 11.410 2.382 -0.093 1.00 0.00 C ATOM 480 CG ARG A 29 11.752 3.065 -1.403 1.00 0.00 C ATOM 481 CD ARG A 29 13.017 3.886 -1.331 1.00 0.00 C ATOM 482 NE ARG A 29 13.284 4.531 -2.623 1.00 0.00 N ATOM 483 CZ ARG A 29 14.090 5.578 -2.830 1.00 0.00 C ATOM 484 NH1 ARG A 29 14.896 6.011 -1.862 1.00 0.00 N ATOM 485 NH2 ARG A 29 14.126 6.145 -4.033 1.00 0.00 N ATOM 0 H ARG A 29 10.693 0.786 1.761 1.00 0.00 H new ATOM 0 HA ARG A 29 9.653 1.439 -0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.884 3.085 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.331 2.106 0.420 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.860 2.310 -2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.924 3.710 -1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.923 4.643 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.857 3.248 -1.056 1.00 0.00 H new ATOM 0 HE ARG A 29 12.810 4.144 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.901 5.543 -0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.508 6.810 -2.027 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.543 5.781 -4.786 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.737 6.944 -4.202 1.00 0.00 H new ATOM 499 N ARG A 30 10.949 -0.057 -2.290 1.00 0.00 N ATOM 500 CA ARG A 30 11.615 -0.941 -3.179 1.00 0.00 C ATOM 501 C ARG A 30 12.432 -0.097 -4.141 1.00 0.00 C ATOM 502 O ARG A 30 12.387 1.134 -4.068 1.00 0.00 O ATOM 503 CB ARG A 30 10.604 -1.838 -3.888 1.00 0.00 C ATOM 504 CG ARG A 30 9.838 -2.741 -2.931 1.00 0.00 C ATOM 505 CD ARG A 30 8.808 -3.582 -3.652 1.00 0.00 C ATOM 506 NE ARG A 30 8.155 -4.535 -2.741 1.00 0.00 N ATOM 507 CZ ARG A 30 8.077 -5.855 -2.921 1.00 0.00 C ATOM 508 NH1 ARG A 30 8.748 -6.439 -3.900 1.00 0.00 N ATOM 509 NH2 ARG A 30 7.360 -6.589 -2.078 1.00 0.00 N ATOM 0 H ARG A 30 10.157 0.433 -2.707 1.00 0.00 H new ATOM 0 HA ARG A 30 12.288 -1.611 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.897 -1.216 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.124 -2.453 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.538 -3.393 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.344 -2.132 -2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.056 -2.933 -4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.287 -4.126 -4.467 1.00 0.00 H new ATOM 0 HE ARG A 30 7.724 -4.154 -1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.330 -5.880 -4.524 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.683 -7.448 -4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.874 -6.143 -1.300 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.295 -7.599 -2.209 1.00 0.00 H new ATOM 523 N LYS A 31 13.144 -0.724 -5.035 1.00 0.00 N ATOM 524 CA LYS A 31 14.097 -0.016 -5.878 1.00 0.00 C ATOM 525 C LYS A 31 13.457 0.810 -6.992 1.00 0.00 C ATOM 526 O LYS A 31 14.094 1.717 -7.530 1.00 0.00 O ATOM 527 CB LYS A 31 15.137 -0.980 -6.441 1.00 0.00 C ATOM 528 CG LYS A 31 15.912 -1.736 -5.367 1.00 0.00 C ATOM 529 CD LYS A 31 16.816 -0.810 -4.551 1.00 0.00 C ATOM 530 CE LYS A 31 17.497 -1.547 -3.393 1.00 0.00 C ATOM 531 NZ LYS A 31 17.965 -2.904 -3.778 1.00 0.00 N ATOM 0 H LYS A 31 13.090 -1.728 -5.207 1.00 0.00 H new ATOM 0 HA LYS A 31 14.588 0.707 -5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.639 -1.699 -7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.840 -0.422 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.211 -2.238 -4.700 1.00 0.00 H new ATOM 0 HG3 LYS A 31 16.517 -2.512 -5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.576 -0.378 -5.203 1.00 0.00 H new ATOM 0 HD3 LYS A 31 16.226 0.018 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 31 18.345 -0.960 -3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 31 16.800 -1.630 -2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 18.630 -3.258 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.150 -3.547 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.443 -2.858 -4.701 1.00 0.00 H new ATOM 545 N ASP A 32 12.219 0.531 -7.329 1.00 0.00 N ATOM 546 CA ASP A 32 11.559 1.274 -8.414 1.00 0.00 C ATOM 547 C ASP A 32 10.871 2.556 -7.904 1.00 0.00 C ATOM 548 O ASP A 32 10.467 3.412 -8.701 1.00 0.00 O ATOM 549 CB ASP A 32 10.555 0.374 -9.174 1.00 0.00 C ATOM 550 CG ASP A 32 9.911 1.063 -10.377 1.00 0.00 C ATOM 551 OD1 ASP A 32 8.799 1.623 -10.248 1.00 0.00 O ATOM 552 OD2 ASP A 32 10.522 1.086 -11.471 1.00 0.00 O ATOM 0 H ASP A 32 11.646 -0.187 -6.887 1.00 0.00 H new ATOM 0 HA ASP A 32 12.339 1.582 -9.111 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.069 -0.526 -9.512 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.772 0.054 -8.486 1.00 0.00 H new ATOM 557 N MET A 33 10.798 2.710 -6.588 1.00 0.00 N ATOM 558 CA MET A 33 10.073 3.828 -5.958 1.00 0.00 C ATOM 559 C MET A 33 10.632 5.207 -6.319 1.00 0.00 C ATOM 560 O MET A 33 11.695 5.615 -5.840 1.00 0.00 O ATOM 561 CB MET A 33 10.044 3.681 -4.435 1.00 0.00 C ATOM 562 CG MET A 33 8.841 2.932 -3.887 1.00 0.00 C ATOM 563 SD MET A 33 8.876 1.173 -4.250 1.00 0.00 S ATOM 564 CE MET A 33 7.308 0.647 -3.556 1.00 0.00 C ATOM 0 H MET A 33 11.234 2.072 -5.922 1.00 0.00 H new ATOM 0 HA MET A 33 9.061 3.772 -6.359 1.00 0.00 H new ATOM 0 HB2 MET A 33 10.950 3.165 -4.117 1.00 0.00 H new ATOM 0 HB3 MET A 33 10.069 4.675 -3.988 1.00 0.00 H new ATOM 0 HG2 MET A 33 8.795 3.073 -2.807 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.931 3.364 -4.304 1.00 0.00 H new ATOM 0 HE1 MET A 33 7.487 -0.070 -2.754 1.00 0.00 H new ATOM 0 HE2 MET A 33 6.778 1.512 -3.158 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.705 0.178 -4.334 1.00 0.00 H new ATOM 574 N LYS A 34 9.891 5.915 -7.151 1.00 0.00 N ATOM 575 CA LYS A 34 10.205 7.252 -7.552 1.00 0.00 C ATOM 576 C LYS A 34 9.111 8.158 -7.023 1.00 0.00 C ATOM 577 O LYS A 34 7.929 7.811 -7.117 1.00 0.00 O ATOM 578 CB LYS A 34 10.213 7.334 -9.070 1.00 0.00 C ATOM 579 CG LYS A 34 11.137 6.346 -9.753 1.00 0.00 C ATOM 580 CD LYS A 34 10.893 6.305 -11.252 1.00 0.00 C ATOM 581 CE LYS A 34 11.485 5.056 -11.872 1.00 0.00 C ATOM 582 NZ LYS A 34 10.812 3.829 -11.408 1.00 0.00 N ATOM 0 H LYS A 34 9.034 5.556 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 34 11.181 7.547 -7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.198 7.173 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.501 8.343 -9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.174 6.621 -9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.986 5.352 -9.331 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.822 6.339 -11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.331 7.188 -11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.410 5.121 -12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.546 5.000 -11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.144 3.018 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.033 3.670 -10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.784 3.932 -11.524 1.00 0.00 H new ATOM 596 N VAL A 35 9.479 9.292 -6.481 1.00 0.00 N ATOM 597 CA VAL A 35 8.505 10.222 -5.919 1.00 0.00 C ATOM 598 C VAL A 35 7.639 10.832 -7.023 1.00 0.00 C ATOM 599 O VAL A 35 8.161 11.442 -7.974 1.00 0.00 O ATOM 600 CB VAL A 35 9.185 11.357 -5.103 1.00 0.00 C ATOM 601 CG1 VAL A 35 8.146 12.241 -4.428 1.00 0.00 C ATOM 602 CG2 VAL A 35 10.128 10.789 -4.064 1.00 0.00 C ATOM 0 H VAL A 35 10.448 9.603 -6.412 1.00 0.00 H new ATOM 0 HA VAL A 35 7.875 9.648 -5.239 1.00 0.00 H new ATOM 0 HB VAL A 35 9.760 11.964 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.648 13.027 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.504 12.691 -5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.540 11.639 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.590 11.604 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.571 10.151 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.902 10.202 -4.558 1.00 0.00 H new ATOM 612 N GLY A 36 6.341 10.661 -6.904 1.00 0.00 N ATOM 613 CA GLY A 36 5.429 11.199 -7.871 1.00 0.00 C ATOM 614 C GLY A 36 4.665 10.130 -8.621 1.00 0.00 C ATOM 615 O GLY A 36 3.586 10.393 -9.145 1.00 0.00 O ATOM 0 H GLY A 36 5.898 10.150 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.722 11.858 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.983 11.810 -8.584 1.00 0.00 H new ATOM 619 N GLN A 37 5.195 8.927 -8.668 1.00 0.00 N ATOM 620 CA GLN A 37 4.539 7.873 -9.423 1.00 0.00 C ATOM 621 C GLN A 37 3.607 7.057 -8.546 1.00 0.00 C ATOM 622 O GLN A 37 3.814 6.943 -7.325 1.00 0.00 O ATOM 623 CB GLN A 37 5.558 6.959 -10.141 1.00 0.00 C ATOM 624 CG GLN A 37 6.356 6.034 -9.216 1.00 0.00 C ATOM 625 CD GLN A 37 7.310 5.122 -9.969 1.00 0.00 C ATOM 626 OE1 GLN A 37 7.812 5.470 -11.020 1.00 0.00 O ATOM 627 NE2 GLN A 37 7.575 3.959 -9.429 1.00 0.00 N ATOM 0 H GLN A 37 6.061 8.654 -8.204 1.00 0.00 H new ATOM 0 HA GLN A 37 3.938 8.362 -10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.026 6.349 -10.871 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.257 7.584 -10.697 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.923 6.638 -8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.664 5.426 -8.634 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.138 3.695 -8.546 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.218 3.317 -9.891 1.00 0.00 H new ATOM 636 N GLN A 38 2.579 6.515 -9.158 1.00 0.00 N ATOM 637 CA GLN A 38 1.659 5.645 -8.487 1.00 0.00 C ATOM 638 C GLN A 38 2.186 4.249 -8.618 1.00 0.00 C ATOM 639 O GLN A 38 2.485 3.787 -9.731 1.00 0.00 O ATOM 640 CB GLN A 38 0.264 5.744 -9.090 1.00 0.00 C ATOM 641 CG GLN A 38 -0.786 4.916 -8.371 1.00 0.00 C ATOM 642 CD GLN A 38 -2.065 4.804 -9.161 1.00 0.00 C ATOM 643 OE1 GLN A 38 -2.054 4.814 -10.400 1.00 0.00 O ATOM 644 NE2 GLN A 38 -3.169 4.706 -8.474 1.00 0.00 N ATOM 0 H GLN A 38 2.362 6.671 -10.142 1.00 0.00 H new ATOM 0 HA GLN A 38 1.573 5.931 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.048 6.788 -9.086 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.308 5.429 -10.132 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.391 3.918 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.999 5.366 -7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.137 4.701 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.065 4.634 -8.956 1.00 0.00 H new ATOM 653 N VAL A 39 2.315 3.592 -7.518 1.00 0.00 N ATOM 654 CA VAL A 39 2.898 2.300 -7.487 1.00 0.00 C ATOM 655 C VAL A 39 1.895 1.289 -7.005 1.00 0.00 C ATOM 656 O VAL A 39 0.988 1.614 -6.205 1.00 0.00 O ATOM 657 CB VAL A 39 4.171 2.255 -6.575 1.00 0.00 C ATOM 658 CG1 VAL A 39 5.194 3.270 -7.032 1.00 0.00 C ATOM 659 CG2 VAL A 39 3.828 2.480 -5.106 1.00 0.00 C ATOM 0 H VAL A 39 2.016 3.941 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 39 3.205 2.057 -8.504 1.00 0.00 H new ATOM 0 HB VAL A 39 4.596 1.256 -6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.069 3.221 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.489 3.052 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.762 4.269 -6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.739 2.441 -4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.358 3.457 -4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.141 1.704 -4.770 1.00 0.00 H new ATOM 669 N SER A 40 2.001 0.112 -7.523 1.00 0.00 N ATOM 670 CA SER A 40 1.233 -0.973 -7.046 1.00 0.00 C ATOM 671 C SER A 40 2.055 -1.638 -5.974 1.00 0.00 C ATOM 672 O SER A 40 3.158 -2.122 -6.242 1.00 0.00 O ATOM 673 CB SER A 40 0.954 -1.958 -8.177 1.00 0.00 C ATOM 674 OG SER A 40 0.438 -1.287 -9.325 1.00 0.00 O ATOM 0 H SER A 40 2.628 -0.119 -8.293 1.00 0.00 H new ATOM 0 HA SER A 40 0.272 -0.635 -6.657 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.872 -2.484 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.241 -2.711 -7.841 1.00 0.00 H new ATOM 0 HG SER A 40 0.269 -1.939 -10.037 1.00 0.00 H new ATOM 680 N PHE A 41 1.578 -1.610 -4.782 1.00 0.00 N ATOM 681 CA PHE A 41 2.275 -2.231 -3.705 1.00 0.00 C ATOM 682 C PHE A 41 1.369 -3.195 -3.065 1.00 0.00 C ATOM 683 O PHE A 41 0.174 -3.203 -3.341 1.00 0.00 O ATOM 684 CB PHE A 41 2.806 -1.216 -2.674 1.00 0.00 C ATOM 685 CG PHE A 41 1.760 -0.332 -2.027 1.00 0.00 C ATOM 686 CD1 PHE A 41 1.287 0.795 -2.671 1.00 0.00 C ATOM 687 CD2 PHE A 41 1.271 -0.625 -0.763 1.00 0.00 C ATOM 688 CE1 PHE A 41 0.351 1.606 -2.075 1.00 0.00 C ATOM 689 CE2 PHE A 41 0.332 0.184 -0.166 1.00 0.00 C ATOM 690 CZ PHE A 41 -0.126 1.302 -0.822 1.00 0.00 C ATOM 0 H PHE A 41 0.700 -1.160 -4.522 1.00 0.00 H new ATOM 0 HA PHE A 41 3.153 -2.737 -4.107 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.330 -1.762 -1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.542 -0.578 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.657 1.042 -3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.632 -1.499 -0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.010 2.483 -2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.045 -0.059 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.860 1.941 -0.353 1.00 0.00 H new ATOM 700 N GLU A 42 1.885 -4.010 -2.259 1.00 0.00 N ATOM 701 CA GLU A 42 1.063 -4.954 -1.592 1.00 0.00 C ATOM 702 C GLU A 42 0.827 -4.508 -0.182 1.00 0.00 C ATOM 703 O GLU A 42 1.613 -3.752 0.380 1.00 0.00 O ATOM 704 CB GLU A 42 1.646 -6.358 -1.604 1.00 0.00 C ATOM 705 CG GLU A 42 1.773 -7.005 -2.981 1.00 0.00 C ATOM 706 CD GLU A 42 2.973 -6.546 -3.788 1.00 0.00 C ATOM 707 OE1 GLU A 42 4.083 -6.496 -3.236 1.00 0.00 O ATOM 708 OE2 GLU A 42 2.826 -6.280 -5.010 1.00 0.00 O ATOM 0 H GLU A 42 2.878 -4.058 -2.031 1.00 0.00 H new ATOM 0 HA GLU A 42 0.119 -5.001 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.634 -6.326 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.023 -6.997 -0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.828 -8.086 -2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.868 -6.796 -3.551 1.00 0.00 H new ATOM 715 N ASN A 43 -0.225 -5.012 0.408 1.00 0.00 N ATOM 716 CA ASN A 43 -0.581 -4.667 1.800 1.00 0.00 C ATOM 717 C ASN A 43 0.392 -5.342 2.743 1.00 0.00 C ATOM 718 O ASN A 43 0.531 -4.989 3.914 1.00 0.00 O ATOM 719 CB ASN A 43 -2.020 -5.081 2.138 1.00 0.00 C ATOM 720 CG ASN A 43 -3.085 -4.199 1.493 1.00 0.00 C ATOM 721 OD1 ASN A 43 -3.669 -3.325 2.138 1.00 0.00 O ATOM 722 ND2 ASN A 43 -3.320 -4.389 0.216 1.00 0.00 N ATOM 0 H ASN A 43 -0.866 -5.668 -0.038 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.520 -3.585 1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.175 -6.112 1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.150 -5.058 3.220 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.001 -3.806 -0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.821 -5.120 -0.291 1.00 0.00 H new ATOM 729 N GLU A 44 1.083 -6.291 2.181 1.00 0.00 N ATOM 730 CA GLU A 44 2.093 -7.065 2.831 1.00 0.00 C ATOM 731 C GLU A 44 3.368 -6.225 3.012 1.00 0.00 C ATOM 732 O GLU A 44 4.203 -6.514 3.859 1.00 0.00 O ATOM 733 CB GLU A 44 2.356 -8.272 1.947 1.00 0.00 C ATOM 734 CG GLU A 44 1.077 -9.042 1.619 1.00 0.00 C ATOM 735 CD GLU A 44 1.065 -9.628 0.229 1.00 0.00 C ATOM 736 OE1 GLU A 44 0.261 -9.162 -0.629 1.00 0.00 O ATOM 737 OE2 GLU A 44 1.848 -10.561 -0.043 1.00 0.00 O ATOM 0 H GLU A 44 0.948 -6.557 1.206 1.00 0.00 H new ATOM 0 HA GLU A 44 1.774 -7.382 3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.828 -7.945 1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.060 -8.938 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.951 -9.846 2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.222 -8.375 1.730 1.00 0.00 H new ATOM 744 N ASP A 45 3.493 -5.171 2.219 1.00 0.00 N ATOM 745 CA ASP A 45 4.660 -4.282 2.299 1.00 0.00 C ATOM 746 C ASP A 45 4.380 -3.103 3.197 1.00 0.00 C ATOM 747 O ASP A 45 5.273 -2.293 3.473 1.00 0.00 O ATOM 748 CB ASP A 45 5.084 -3.768 0.921 1.00 0.00 C ATOM 749 CG ASP A 45 5.998 -4.716 0.184 1.00 0.00 C ATOM 750 OD1 ASP A 45 5.705 -5.921 0.092 1.00 0.00 O ATOM 751 OD2 ASP A 45 7.013 -4.277 -0.356 1.00 0.00 O ATOM 0 H ASP A 45 2.807 -4.905 1.513 1.00 0.00 H new ATOM 0 HA ASP A 45 5.474 -4.875 2.715 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.194 -3.590 0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.586 -2.808 1.038 1.00 0.00 H new ATOM 756 N ILE A 46 3.143 -2.984 3.634 1.00 0.00 N ATOM 757 CA ILE A 46 2.749 -1.896 4.508 1.00 0.00 C ATOM 758 C ILE A 46 3.366 -2.072 5.900 1.00 0.00 C ATOM 759 O ILE A 46 3.159 -3.098 6.566 1.00 0.00 O ATOM 760 CB ILE A 46 1.197 -1.770 4.603 1.00 0.00 C ATOM 761 CG1 ILE A 46 0.607 -1.498 3.217 1.00 0.00 C ATOM 762 CG2 ILE A 46 0.792 -0.662 5.569 1.00 0.00 C ATOM 763 CD1 ILE A 46 -0.905 -1.534 3.169 1.00 0.00 C ATOM 0 H ILE A 46 2.390 -3.630 3.397 1.00 0.00 H new ATOM 0 HA ILE A 46 3.128 -0.970 4.075 1.00 0.00 H new ATOM 0 HB ILE A 46 0.804 -2.712 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.947 -0.520 2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.999 -2.235 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.295 -0.598 5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.184 -0.883 6.562 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.197 0.289 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.242 -1.332 2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.255 -2.519 3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.309 -0.778 3.842 1.00 0.00 H new ATOM 775 N TYR A 47 4.120 -1.060 6.321 1.00 0.00 N ATOM 776 CA TYR A 47 4.807 -1.046 7.608 1.00 0.00 C ATOM 777 C TYR A 47 3.850 -0.654 8.730 1.00 0.00 C ATOM 778 O TYR A 47 4.161 -0.811 9.918 1.00 0.00 O ATOM 779 CB TYR A 47 5.993 -0.065 7.573 1.00 0.00 C ATOM 780 CG TYR A 47 7.332 -0.681 7.219 1.00 0.00 C ATOM 781 CD1 TYR A 47 7.816 -1.793 7.897 1.00 0.00 C ATOM 782 CD2 TYR A 47 8.120 -0.137 6.218 1.00 0.00 C ATOM 783 CE1 TYR A 47 9.045 -2.346 7.582 1.00 0.00 C ATOM 784 CE2 TYR A 47 9.348 -0.683 5.899 1.00 0.00 C ATOM 785 CZ TYR A 47 9.806 -1.786 6.581 1.00 0.00 C ATOM 786 OH TYR A 47 11.029 -2.338 6.251 1.00 0.00 O ATOM 0 H TYR A 47 4.273 -0.215 5.770 1.00 0.00 H new ATOM 0 HA TYR A 47 5.180 -2.052 7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.771 0.722 6.852 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.078 0.412 8.549 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.222 -2.234 8.684 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.768 0.729 5.678 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.405 -3.212 8.118 1.00 0.00 H new ATOM 0 HE2 TYR A 47 9.948 -0.244 5.115 1.00 0.00 H new ATOM 0 HH TYR A 47 11.435 -1.822 5.524 1.00 0.00 H new ATOM 796 N ASN A 48 2.706 -0.115 8.360 1.00 0.00 N ATOM 797 CA ASN A 48 1.669 0.256 9.324 1.00 0.00 C ATOM 798 C ASN A 48 0.948 -0.998 9.793 1.00 0.00 C ATOM 799 O ASN A 48 -0.148 -1.307 9.324 1.00 0.00 O ATOM 800 CB ASN A 48 0.625 1.217 8.712 1.00 0.00 C ATOM 801 CG ASN A 48 1.185 2.529 8.207 1.00 0.00 C ATOM 802 OD1 ASN A 48 1.641 2.615 7.080 1.00 0.00 O ATOM 803 ND2 ASN A 48 1.110 3.557 9.004 1.00 0.00 N ATOM 0 H ASN A 48 2.462 0.081 7.389 1.00 0.00 H new ATOM 0 HA ASN A 48 2.160 0.764 10.154 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.126 0.710 7.886 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.136 1.429 9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.439 4.470 8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.722 3.448 9.941 1.00 0.00 H new ATOM 810 N VAL A 49 1.570 -1.742 10.668 1.00 0.00 N ATOM 811 CA VAL A 49 0.979 -2.962 11.183 1.00 0.00 C ATOM 812 C VAL A 49 -0.086 -2.625 12.223 1.00 0.00 C ATOM 813 O VAL A 49 0.220 -2.396 13.397 1.00 0.00 O ATOM 814 CB VAL A 49 2.042 -3.918 11.793 1.00 0.00 C ATOM 815 CG1 VAL A 49 1.411 -5.256 12.168 1.00 0.00 C ATOM 816 CG2 VAL A 49 3.199 -4.130 10.823 1.00 0.00 C ATOM 0 H VAL A 49 2.493 -1.528 11.045 1.00 0.00 H new ATOM 0 HA VAL A 49 0.519 -3.484 10.344 1.00 0.00 H new ATOM 0 HB VAL A 49 2.433 -3.455 12.699 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.172 -5.911 12.593 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.621 -5.093 12.902 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.988 -5.721 11.277 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.931 -4.802 11.271 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.823 -4.567 9.898 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.672 -3.172 10.606 1.00 0.00 H new ATOM 826 N ARG A 50 -1.320 -2.565 11.767 1.00 0.00 N ATOM 827 CA ARG A 50 -2.463 -2.236 12.609 1.00 0.00 C ATOM 828 C ARG A 50 -3.757 -2.575 11.879 1.00 0.00 C ATOM 829 O ARG A 50 -4.782 -2.841 12.495 1.00 0.00 O ATOM 830 CB ARG A 50 -2.461 -0.748 12.988 1.00 0.00 C ATOM 831 CG ARG A 50 -3.438 -0.404 14.101 1.00 0.00 C ATOM 832 CD ARG A 50 -3.440 1.075 14.407 1.00 0.00 C ATOM 833 NE ARG A 50 -4.072 1.868 13.351 1.00 0.00 N ATOM 834 CZ ARG A 50 -3.904 3.180 13.155 1.00 0.00 C ATOM 835 NH1 ARG A 50 -3.179 3.902 14.007 1.00 0.00 N ATOM 836 NH2 ARG A 50 -4.491 3.767 12.127 1.00 0.00 N ATOM 0 H ARG A 50 -1.565 -2.744 10.793 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.391 -2.824 13.524 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.456 -0.461 13.296 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.705 -0.156 12.106 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.442 -0.717 13.814 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.176 -0.961 15.000 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.963 1.247 15.348 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.414 1.415 14.546 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.694 1.377 12.709 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.747 3.455 14.816 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.055 4.902 13.851 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.068 3.220 11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.367 4.767 11.972 1.00 0.00 H new ATOM 850 N GLY A 51 -3.709 -2.541 10.561 1.00 0.00 N ATOM 851 CA GLY A 51 -4.873 -2.857 9.771 1.00 0.00 C ATOM 852 C GLY A 51 -5.554 -1.605 9.337 1.00 0.00 C ATOM 853 O GLY A 51 -5.388 -1.157 8.203 1.00 0.00 O ATOM 0 H GLY A 51 -2.878 -2.298 10.021 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.582 -3.443 8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.561 -3.471 10.352 1.00 0.00 H new ATOM 857 N LYS A 52 -6.265 -1.013 10.240 1.00 0.00 N ATOM 858 CA LYS A 52 -6.930 0.217 9.984 1.00 0.00 C ATOM 859 C LYS A 52 -6.284 1.267 10.844 1.00 0.00 C ATOM 860 O LYS A 52 -6.348 1.149 12.084 1.00 0.00 O ATOM 861 CB LYS A 52 -8.423 0.106 10.284 1.00 0.00 C ATOM 862 CG LYS A 52 -9.211 1.332 9.870 1.00 0.00 C ATOM 863 CD LYS A 52 -10.677 1.192 10.211 1.00 0.00 C ATOM 864 CE LYS A 52 -11.462 2.440 9.822 1.00 0.00 C ATOM 865 NZ LYS A 52 -10.976 3.649 10.526 1.00 0.00 N ATOM 866 OXT LYS A 52 -5.647 2.179 10.301 1.00 0.00 O ATOM 0 H LYS A 52 -6.400 -1.375 11.184 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.841 0.483 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.826 -0.767 9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.560 -0.062 11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.804 2.212 10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.100 1.492 8.798 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.091 0.325 9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.787 1.010 11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.387 2.594 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.517 2.289 10.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.664 4.420 10.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.863 3.439 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.060 3.938 10.128 1.00 0.00 H new TER 880 LYS A 52