USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 688 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 41 THR OG1 : rot 88:sc= 0.232 USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0.413 USER MOD Set 1.3: A 45 SER OG : rot 113:sc= 0.446 USER MOD Set 2.1: A 20 LYS NZ :NH3+ -169:sc= 1.17 (180deg=0) USER MOD Set 2.2: A 22 TYR OH : rot 180:sc= 1.06 USER MOD Set 3.1: A 12 ASN : amide:sc= -0.459! C(o=-1.1!,f=-11!) USER MOD Set 3.2: A 88 ASN : amide:sc= -0.609 K(o=-1.1,f=-2.6) USER MOD Set 4.1: A 11 THR OG1 : rot 20:sc= 1.72 USER MOD Set 4.2: A 14 THR OG1 : rot -21:sc= 1.15 USER MOD Set 5.1: A 10 THR OG1 : rot 96:sc= 0.96 USER MOD Set 5.2: A 49 GLN : amide:sc= -1.05 K(o=0.33,f=-6.1!) USER MOD Set 5.3: A 80 HIS : no HD1:sc= 0.421 K(o=0.33,f=-2.9) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0483 (180deg=-0.335) USER MOD Single : A 1 MET N :NH3+ -142:sc= 1.25 (180deg=0.826) USER MOD Single : A 2 THR OG1 : rot 43:sc= 0.177 USER MOD Single : A 5 TYR OH : rot 176:sc= -1.6 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -168:sc= -0.492 (180deg=-0.925) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00568 USER MOD Single : A 29 ASN : amide:sc= -1.6! C(o=-1.6!,f=-2.5!) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= 0.382! (180deg=-1.67!) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00708) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -143:sc=-0.00248 (180deg=-1.31) USER MOD Single : A 56 GLN : amide:sc= 0.365 K(o=0.36,f=-0.38) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= -0.113 (180deg=-0.501) USER MOD Single : A 62 THR OG1 : rot -37:sc= 0.495 USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= 0.23 (180deg=0.171) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 69 LYS NZ :NH3+ 145:sc= 0.689 (180deg=-0.393!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.478 3.337 -0.202 1.00 0.00 N ATOM 2 CA MET A 1 -19.825 2.568 -1.394 1.00 0.00 C ATOM 3 C MET A 1 -18.977 1.316 -1.416 1.00 0.00 C ATOM 4 O MET A 1 -17.952 1.258 -0.737 1.00 0.00 O ATOM 5 CB MET A 1 -19.559 3.390 -2.676 1.00 0.00 C ATOM 6 CG MET A 1 -18.075 3.631 -3.001 1.00 0.00 C ATOM 7 SD MET A 1 -17.169 4.491 -1.697 1.00 0.00 S ATOM 8 CE MET A 1 -15.528 4.519 -2.410 1.00 0.00 C ATOM 0 H1 MET A 1 -20.338 3.765 0.197 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.045 2.707 0.504 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.804 4.087 -0.457 1.00 0.00 H new ATOM 0 HA MET A 1 -20.885 2.316 -1.364 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.021 2.878 -3.520 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.055 4.356 -2.579 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.595 2.671 -3.191 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.004 4.211 -3.921 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.930 5.285 -1.917 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.055 3.546 -2.273 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.598 4.742 -3.475 1.00 0.00 H new ATOM 18 N THR A 2 -19.390 0.319 -2.163 1.00 0.00 N ATOM 19 CA THR A 2 -18.617 -0.878 -2.277 1.00 0.00 C ATOM 20 C THR A 2 -17.595 -0.739 -3.387 1.00 0.00 C ATOM 21 O THR A 2 -17.940 -0.653 -4.572 1.00 0.00 O ATOM 22 CB THR A 2 -19.515 -2.105 -2.512 1.00 0.00 C ATOM 23 OG1 THR A 2 -20.445 -1.835 -3.584 1.00 0.00 O ATOM 24 CG2 THR A 2 -20.270 -2.464 -1.251 1.00 0.00 C ATOM 0 H THR A 2 -20.258 0.321 -2.698 1.00 0.00 H new ATOM 0 HA THR A 2 -18.091 -1.032 -1.335 1.00 0.00 H new ATOM 0 HB THR A 2 -18.883 -2.949 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.978 -1.380 -4.316 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.899 -3.334 -1.439 1.00 0.00 H new ATOM 0 HG22 THR A 2 -19.561 -2.694 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 2 -20.895 -1.623 -0.949 1.00 0.00 H new ATOM 32 N GLU A 3 -16.359 -0.711 -2.998 1.00 0.00 N ATOM 33 CA GLU A 3 -15.256 -0.562 -3.894 1.00 0.00 C ATOM 34 C GLU A 3 -14.034 -1.049 -3.171 1.00 0.00 C ATOM 35 O GLU A 3 -13.412 -0.321 -2.416 1.00 0.00 O ATOM 36 CB GLU A 3 -15.111 0.898 -4.308 1.00 0.00 C ATOM 37 CG GLU A 3 -14.027 1.166 -5.315 1.00 0.00 C ATOM 38 CD GLU A 3 -13.963 2.615 -5.682 1.00 0.00 C ATOM 39 OE1 GLU A 3 -13.291 3.381 -4.987 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.580 3.012 -6.690 1.00 0.00 O ATOM 0 H GLU A 3 -16.082 -0.794 -2.020 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.406 -1.139 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.061 1.240 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.915 1.495 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.066 0.850 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.206 0.571 -6.210 1.00 0.00 H new ATOM 47 N VAL A 4 -13.738 -2.288 -3.366 1.00 0.00 N ATOM 48 CA VAL A 4 -12.717 -2.976 -2.629 1.00 0.00 C ATOM 49 C VAL A 4 -11.756 -3.718 -3.539 1.00 0.00 C ATOM 50 O VAL A 4 -12.109 -4.128 -4.649 1.00 0.00 O ATOM 51 CB VAL A 4 -13.345 -3.975 -1.610 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.068 -3.240 -0.491 1.00 0.00 C ATOM 53 CG2 VAL A 4 -14.322 -4.910 -2.318 1.00 0.00 C ATOM 0 H VAL A 4 -14.207 -2.872 -4.059 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.154 -2.214 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.533 -4.558 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.495 -3.964 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.362 -2.601 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.865 -2.628 -0.913 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -14.753 -5.602 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.118 -4.324 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.794 -5.473 -3.088 1.00 0.00 H new ATOM 63 N TYR A 5 -10.548 -3.840 -3.085 1.00 0.00 N ATOM 64 CA TYR A 5 -9.516 -4.560 -3.788 1.00 0.00 C ATOM 65 C TYR A 5 -8.913 -5.613 -2.884 1.00 0.00 C ATOM 66 O TYR A 5 -8.819 -5.407 -1.671 1.00 0.00 O ATOM 67 CB TYR A 5 -8.442 -3.600 -4.350 1.00 0.00 C ATOM 68 CG TYR A 5 -7.580 -2.885 -3.362 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.081 -1.892 -2.547 1.00 0.00 C ATOM 70 CD2 TYR A 5 -6.245 -3.187 -3.275 1.00 0.00 C ATOM 71 CE1 TYR A 5 -7.270 -1.228 -1.668 1.00 0.00 C ATOM 72 CE2 TYR A 5 -5.434 -2.537 -2.408 1.00 0.00 C ATOM 73 CZ TYR A 5 -5.939 -1.560 -1.603 1.00 0.00 C ATOM 74 OH TYR A 5 -5.109 -0.915 -0.726 1.00 0.00 O ATOM 0 H TYR A 5 -10.239 -3.437 -2.200 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.964 -5.064 -4.645 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.793 -4.171 -5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.945 -2.852 -4.963 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -9.128 -1.635 -2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.833 -3.958 -3.910 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.672 -0.452 -1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -4.386 -2.793 -2.354 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.216 -1.317 -0.765 1.00 0.00 H new ATOM 84 N ASP A 6 -8.604 -6.765 -3.444 1.00 0.00 N ATOM 85 CA ASP A 6 -7.910 -7.819 -2.698 1.00 0.00 C ATOM 86 C ASP A 6 -6.451 -7.506 -2.705 1.00 0.00 C ATOM 87 O ASP A 6 -5.871 -7.219 -3.771 1.00 0.00 O ATOM 88 CB ASP A 6 -8.070 -9.199 -3.344 1.00 0.00 C ATOM 89 CG ASP A 6 -9.471 -9.718 -3.392 1.00 0.00 C ATOM 90 OD1 ASP A 6 -9.908 -10.342 -2.426 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.140 -9.553 -4.425 1.00 0.00 O ATOM 0 H ASP A 6 -8.818 -7.004 -4.412 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.338 -7.849 -1.696 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.681 -9.154 -4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.453 -9.913 -2.798 1.00 0.00 H new ATOM 96 N LEU A 7 -5.861 -7.550 -1.566 1.00 0.00 N ATOM 97 CA LEU A 7 -4.482 -7.289 -1.419 1.00 0.00 C ATOM 98 C LEU A 7 -3.807 -8.550 -0.967 1.00 0.00 C ATOM 99 O LEU A 7 -4.436 -9.414 -0.332 1.00 0.00 O ATOM 100 CB LEU A 7 -4.213 -6.247 -0.313 1.00 0.00 C ATOM 101 CG LEU A 7 -4.918 -4.886 -0.358 1.00 0.00 C ATOM 102 CD1 LEU A 7 -6.370 -4.995 0.026 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.211 -3.894 0.534 1.00 0.00 C ATOM 0 H LEU A 7 -6.337 -7.774 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.112 -6.922 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.466 -6.712 0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.140 -6.057 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.875 -4.530 -1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.833 -4.009 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.880 -5.667 -0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.450 -5.388 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.725 -2.934 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.215 -4.261 1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.182 -3.770 0.197 1.00 0.00 H new ATOM 115 N GLU A 8 -2.569 -8.666 -1.289 1.00 0.00 N ATOM 116 CA GLU A 8 -1.748 -9.699 -0.754 1.00 0.00 C ATOM 117 C GLU A 8 -0.738 -8.996 0.098 1.00 0.00 C ATOM 118 O GLU A 8 0.041 -8.200 -0.395 1.00 0.00 O ATOM 119 CB GLU A 8 -1.088 -10.493 -1.864 1.00 0.00 C ATOM 120 CG GLU A 8 -0.210 -11.634 -1.390 1.00 0.00 C ATOM 121 CD GLU A 8 0.385 -12.423 -2.532 1.00 0.00 C ATOM 122 OE1 GLU A 8 -0.332 -13.255 -3.126 1.00 0.00 O ATOM 123 OE2 GLU A 8 1.564 -12.226 -2.864 1.00 0.00 O ATOM 0 H GLU A 8 -2.090 -8.042 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.322 -10.422 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.864 -10.896 -2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.485 -9.815 -2.468 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.594 -11.236 -0.771 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.797 -12.301 -0.759 1.00 0.00 H new ATOM 130 N ILE A 9 -0.785 -9.226 1.356 1.00 0.00 N ATOM 131 CA ILE A 9 0.053 -8.483 2.264 1.00 0.00 C ATOM 132 C ILE A 9 1.188 -9.323 2.800 1.00 0.00 C ATOM 133 O ILE A 9 0.980 -10.433 3.319 1.00 0.00 O ATOM 134 CB ILE A 9 -0.763 -7.910 3.451 1.00 0.00 C ATOM 135 CG1 ILE A 9 -1.957 -7.086 2.935 1.00 0.00 C ATOM 136 CG2 ILE A 9 0.132 -7.051 4.361 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.846 -6.520 4.026 1.00 0.00 C ATOM 0 H ILE A 9 -1.390 -9.920 1.796 1.00 0.00 H new ATOM 0 HA ILE A 9 0.471 -7.658 1.687 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.146 -8.744 4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.580 -6.263 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.561 -7.715 2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.460 -6.658 5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.944 -7.662 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.547 -6.223 3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.661 -5.954 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.257 -7.336 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.260 -5.862 4.668 1.00 0.00 H new ATOM 149 N THR A 10 2.360 -8.795 2.678 1.00 0.00 N ATOM 150 CA THR A 10 3.546 -9.390 3.207 1.00 0.00 C ATOM 151 C THR A 10 4.137 -8.463 4.228 1.00 0.00 C ATOM 152 O THR A 10 3.867 -7.258 4.226 1.00 0.00 O ATOM 153 CB THR A 10 4.607 -9.670 2.129 1.00 0.00 C ATOM 154 OG1 THR A 10 4.904 -8.475 1.399 1.00 0.00 O ATOM 155 CG2 THR A 10 4.163 -10.758 1.190 1.00 0.00 C ATOM 0 H THR A 10 2.526 -7.913 2.194 1.00 0.00 H new ATOM 0 HA THR A 10 3.262 -10.347 3.645 1.00 0.00 H new ATOM 0 HB THR A 10 5.511 -10.011 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.699 -8.047 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.936 -10.930 0.441 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.991 -11.676 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.239 -10.457 0.695 1.00 0.00 H new ATOM 163 N THR A 11 4.918 -8.993 5.083 1.00 0.00 N ATOM 164 CA THR A 11 5.552 -8.272 6.071 1.00 0.00 C ATOM 165 C THR A 11 6.974 -8.707 6.178 1.00 0.00 C ATOM 166 O THR A 11 7.375 -9.713 5.616 1.00 0.00 O ATOM 167 CB THR A 11 4.847 -8.461 7.412 1.00 0.00 C ATOM 168 OG1 THR A 11 4.520 -9.834 7.594 1.00 0.00 O ATOM 169 CG2 THR A 11 3.618 -7.574 7.583 1.00 0.00 C ATOM 0 H THR A 11 5.133 -9.990 5.101 1.00 0.00 H new ATOM 0 HA THR A 11 5.516 -7.215 5.809 1.00 0.00 H new ATOM 0 HB THR A 11 5.544 -8.146 8.188 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.072 -10.383 6.999 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.167 -7.761 8.558 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.913 -6.527 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.895 -7.800 6.800 1.00 0.00 H new ATOM 177 N ASN A 12 7.720 -7.918 6.832 1.00 0.00 N ATOM 178 CA ASN A 12 9.090 -8.220 7.160 1.00 0.00 C ATOM 179 C ASN A 12 9.182 -9.368 8.098 1.00 0.00 C ATOM 180 O ASN A 12 10.017 -10.262 7.938 1.00 0.00 O ATOM 181 CB ASN A 12 9.773 -6.979 7.732 1.00 0.00 C ATOM 182 CG ASN A 12 10.766 -7.263 8.862 1.00 0.00 C ATOM 183 OD1 ASN A 12 11.905 -7.522 8.640 1.00 0.00 O ATOM 184 ND2 ASN A 12 10.305 -7.184 10.081 1.00 0.00 N ATOM 0 H ASN A 12 7.407 -7.010 7.175 1.00 0.00 H new ATOM 0 HA ASN A 12 9.608 -8.512 6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.297 -6.465 6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.008 -6.297 8.101 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.927 -7.346 10.873 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.323 -6.960 10.241 1.00 0.00 H new ATOM 191 N ALA A 13 8.324 -9.356 9.044 1.00 0.00 N ATOM 192 CA ALA A 13 8.354 -10.332 10.055 1.00 0.00 C ATOM 193 C ALA A 13 7.830 -11.662 9.554 1.00 0.00 C ATOM 194 O ALA A 13 8.371 -12.718 9.888 1.00 0.00 O ATOM 195 CB ALA A 13 7.607 -9.829 11.245 1.00 0.00 C ATOM 0 H ALA A 13 7.579 -8.666 9.137 1.00 0.00 H new ATOM 0 HA ALA A 13 9.386 -10.514 10.355 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.627 -10.582 12.032 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.074 -8.913 11.607 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.574 -9.624 10.966 1.00 0.00 H new ATOM 201 N THR A 14 6.798 -11.624 8.753 1.00 0.00 N ATOM 202 CA THR A 14 6.264 -12.849 8.222 1.00 0.00 C ATOM 203 C THR A 14 6.294 -12.869 6.703 1.00 0.00 C ATOM 204 O THR A 14 5.763 -11.964 6.052 1.00 0.00 O ATOM 205 CB THR A 14 4.854 -13.216 8.797 1.00 0.00 C ATOM 206 OG1 THR A 14 3.927 -12.139 8.635 1.00 0.00 O ATOM 207 CG2 THR A 14 4.946 -13.587 10.270 1.00 0.00 C ATOM 0 H THR A 14 6.318 -10.774 8.458 1.00 0.00 H new ATOM 0 HA THR A 14 6.930 -13.640 8.567 1.00 0.00 H new ATOM 0 HB THR A 14 4.493 -14.076 8.233 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.418 -11.300 8.515 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.954 -13.837 10.645 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.606 -14.446 10.388 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.344 -12.743 10.834 1.00 0.00 H new ATOM 215 N ASP A 15 6.872 -13.909 6.139 1.00 0.00 N ATOM 216 CA ASP A 15 6.967 -14.035 4.681 1.00 0.00 C ATOM 217 C ASP A 15 5.759 -14.734 4.124 1.00 0.00 C ATOM 218 O ASP A 15 5.703 -15.068 2.944 1.00 0.00 O ATOM 219 CB ASP A 15 8.260 -14.740 4.232 1.00 0.00 C ATOM 220 CG ASP A 15 9.506 -13.929 4.512 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.858 -13.054 3.687 1.00 0.00 O ATOM 222 OD2 ASP A 15 10.155 -14.150 5.561 1.00 0.00 O ATOM 0 H ASP A 15 7.286 -14.683 6.658 1.00 0.00 H new ATOM 0 HA ASP A 15 7.002 -13.022 4.279 1.00 0.00 H new ATOM 0 HB2 ASP A 15 8.338 -15.701 4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.201 -14.948 3.164 1.00 0.00 H new ATOM 227 N PHE A 16 4.784 -14.929 4.973 1.00 0.00 N ATOM 228 CA PHE A 16 3.536 -15.511 4.585 1.00 0.00 C ATOM 229 C PHE A 16 2.650 -14.409 4.026 1.00 0.00 C ATOM 230 O PHE A 16 2.344 -13.443 4.730 1.00 0.00 O ATOM 231 CB PHE A 16 2.852 -16.153 5.803 1.00 0.00 C ATOM 232 CG PHE A 16 1.507 -16.779 5.507 1.00 0.00 C ATOM 233 CD1 PHE A 16 1.420 -18.066 5.012 1.00 0.00 C ATOM 234 CD2 PHE A 16 0.330 -16.072 5.727 1.00 0.00 C ATOM 235 CE1 PHE A 16 0.191 -18.637 4.737 1.00 0.00 C ATOM 236 CE2 PHE A 16 -0.898 -16.638 5.454 1.00 0.00 C ATOM 237 CZ PHE A 16 -0.968 -17.923 4.961 1.00 0.00 C ATOM 0 H PHE A 16 4.839 -14.684 5.962 1.00 0.00 H new ATOM 0 HA PHE A 16 3.704 -16.282 3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.512 -16.917 6.214 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.724 -15.394 6.574 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.323 -18.633 4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.378 -15.066 6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.138 -19.643 4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.803 -16.075 5.626 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.928 -18.370 4.750 1.00 0.00 H new ATOM 247 N PRO A 17 2.262 -14.504 2.762 1.00 0.00 N ATOM 248 CA PRO A 17 1.376 -13.540 2.161 1.00 0.00 C ATOM 249 C PRO A 17 -0.046 -13.768 2.629 1.00 0.00 C ATOM 250 O PRO A 17 -0.576 -14.875 2.520 1.00 0.00 O ATOM 251 CB PRO A 17 1.478 -13.808 0.661 1.00 0.00 C ATOM 252 CG PRO A 17 2.514 -14.873 0.494 1.00 0.00 C ATOM 253 CD PRO A 17 2.645 -15.551 1.819 1.00 0.00 C ATOM 0 HA PRO A 17 1.641 -12.516 2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.519 -14.132 0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.760 -12.903 0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.218 -15.584 -0.278 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.466 -14.443 0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.992 -16.420 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.662 -15.900 1.995 1.00 0.00 H new ATOM 261 N MET A 18 -0.644 -12.756 3.159 1.00 0.00 N ATOM 262 CA MET A 18 -1.991 -12.867 3.648 1.00 0.00 C ATOM 263 C MET A 18 -2.931 -12.131 2.733 1.00 0.00 C ATOM 264 O MET A 18 -2.689 -10.967 2.389 1.00 0.00 O ATOM 265 CB MET A 18 -2.118 -12.314 5.077 1.00 0.00 C ATOM 266 CG MET A 18 -3.530 -12.434 5.650 1.00 0.00 C ATOM 267 SD MET A 18 -3.691 -11.729 7.301 1.00 0.00 S ATOM 268 CE MET A 18 -5.419 -12.075 7.641 1.00 0.00 C ATOM 0 H MET A 18 -0.224 -11.833 3.269 1.00 0.00 H new ATOM 0 HA MET A 18 -2.253 -13.925 3.670 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.423 -12.845 5.728 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.820 -11.266 5.081 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.230 -11.936 4.980 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.813 -13.486 5.682 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.677 -11.699 8.631 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.042 -11.585 6.893 1.00 0.00 H new ATOM 0 HE3 MET A 18 -5.588 -13.151 7.606 1.00 0.00 H new ATOM 278 N GLU A 19 -3.978 -12.799 2.327 1.00 0.00 N ATOM 279 CA GLU A 19 -4.990 -12.192 1.510 1.00 0.00 C ATOM 280 C GLU A 19 -5.929 -11.412 2.384 1.00 0.00 C ATOM 281 O GLU A 19 -6.434 -11.933 3.388 1.00 0.00 O ATOM 282 CB GLU A 19 -5.802 -13.229 0.724 1.00 0.00 C ATOM 283 CG GLU A 19 -5.075 -13.966 -0.399 1.00 0.00 C ATOM 284 CD GLU A 19 -3.887 -14.775 0.050 1.00 0.00 C ATOM 285 OE1 GLU A 19 -4.074 -15.849 0.658 1.00 0.00 O ATOM 286 OE2 GLU A 19 -2.755 -14.352 -0.204 1.00 0.00 O ATOM 0 H GLU A 19 -4.152 -13.778 2.554 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.486 -11.543 0.794 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.179 -13.970 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.669 -12.727 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.782 -14.629 -0.898 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.744 -13.238 -1.139 1.00 0.00 H new ATOM 293 N LYS A 20 -6.154 -10.194 2.031 1.00 0.00 N ATOM 294 CA LYS A 20 -7.069 -9.362 2.753 1.00 0.00 C ATOM 295 C LYS A 20 -7.622 -8.319 1.807 1.00 0.00 C ATOM 296 O LYS A 20 -6.954 -7.939 0.872 1.00 0.00 O ATOM 297 CB LYS A 20 -6.385 -8.718 3.949 1.00 0.00 C ATOM 298 CG LYS A 20 -7.363 -8.093 4.912 1.00 0.00 C ATOM 299 CD LYS A 20 -6.656 -7.527 6.097 1.00 0.00 C ATOM 300 CE LYS A 20 -7.635 -6.925 7.082 1.00 0.00 C ATOM 301 NZ LYS A 20 -6.957 -6.341 8.255 1.00 0.00 N ATOM 0 H LYS A 20 -5.710 -9.740 1.232 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.889 -9.965 3.142 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.795 -9.470 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.690 -7.956 3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.923 -7.306 4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.086 -8.840 5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.078 -8.310 6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.948 -6.765 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.222 -6.154 6.583 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.333 -7.693 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.662 -6.110 8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.274 -7.026 8.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.456 -5.475 7.971 1.00 0.00 H new ATOM 315 N LYS A 21 -8.831 -7.898 2.027 1.00 0.00 N ATOM 316 CA LYS A 21 -9.503 -6.969 1.151 1.00 0.00 C ATOM 317 C LYS A 21 -9.789 -5.622 1.866 1.00 0.00 C ATOM 318 O LYS A 21 -10.248 -5.602 3.016 1.00 0.00 O ATOM 319 CB LYS A 21 -10.793 -7.648 0.691 1.00 0.00 C ATOM 320 CG LYS A 21 -11.646 -6.874 -0.287 1.00 0.00 C ATOM 321 CD LYS A 21 -12.885 -7.679 -0.683 1.00 0.00 C ATOM 322 CE LYS A 21 -12.519 -8.987 -1.380 1.00 0.00 C ATOM 323 NZ LYS A 21 -13.711 -9.771 -1.764 1.00 0.00 N ATOM 0 H LYS A 21 -9.391 -8.190 2.828 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.875 -6.723 0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.533 -8.604 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.396 -7.868 1.572 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.949 -5.927 0.159 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.062 -6.636 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.476 -7.896 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.511 -7.079 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.928 -8.769 -2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.891 -9.585 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.412 -10.650 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.263 -10.003 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.298 -9.213 -2.416 1.00 0.00 H new ATOM 337 N TYR A 22 -9.495 -4.519 1.181 1.00 0.00 N ATOM 338 CA TYR A 22 -9.736 -3.151 1.687 1.00 0.00 C ATOM 339 C TYR A 22 -10.424 -2.314 0.609 1.00 0.00 C ATOM 340 O TYR A 22 -10.377 -2.679 -0.562 1.00 0.00 O ATOM 341 CB TYR A 22 -8.422 -2.444 2.099 1.00 0.00 C ATOM 342 CG TYR A 22 -7.757 -2.952 3.355 1.00 0.00 C ATOM 343 CD1 TYR A 22 -8.291 -2.661 4.598 1.00 0.00 C ATOM 344 CD2 TYR A 22 -6.583 -3.679 3.305 1.00 0.00 C ATOM 345 CE1 TYR A 22 -7.678 -3.082 5.753 1.00 0.00 C ATOM 346 CE2 TYR A 22 -5.963 -4.113 4.457 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.515 -3.807 5.679 1.00 0.00 C ATOM 348 OH TYR A 22 -5.897 -4.230 6.834 1.00 0.00 O ATOM 0 H TYR A 22 -9.079 -4.540 0.250 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.370 -3.240 2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.713 -2.533 1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.630 -1.382 2.227 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.207 -2.092 4.661 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.143 -3.911 2.346 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.109 -2.844 6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.051 -4.689 4.401 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.086 -4.731 6.606 1.00 0.00 H new ATOM 358 N PRO A 23 -11.089 -1.191 0.978 1.00 0.00 N ATOM 359 CA PRO A 23 -11.730 -0.305 0.006 1.00 0.00 C ATOM 360 C PRO A 23 -10.713 0.524 -0.764 1.00 0.00 C ATOM 361 O PRO A 23 -9.856 1.174 -0.167 1.00 0.00 O ATOM 362 CB PRO A 23 -12.599 0.638 0.855 1.00 0.00 C ATOM 363 CG PRO A 23 -12.542 0.111 2.244 1.00 0.00 C ATOM 364 CD PRO A 23 -11.285 -0.702 2.351 1.00 0.00 C ATOM 0 HA PRO A 23 -12.292 -0.878 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.223 1.660 0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -13.625 0.659 0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.537 0.927 2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -13.417 -0.501 2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.442 -0.099 2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.394 -1.523 3.060 1.00 0.00 H new ATOM 372 N ALA A 24 -10.834 0.539 -2.082 1.00 0.00 N ATOM 373 CA ALA A 24 -9.900 1.295 -2.922 1.00 0.00 C ATOM 374 C ALA A 24 -10.122 2.791 -2.764 1.00 0.00 C ATOM 375 O ALA A 24 -9.229 3.606 -2.995 1.00 0.00 O ATOM 376 CB ALA A 24 -10.018 0.875 -4.379 1.00 0.00 C ATOM 0 H ALA A 24 -11.562 0.043 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.886 1.069 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.315 1.450 -4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.791 -0.187 -4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.033 1.060 -4.730 1.00 0.00 H new ATOM 382 N GLY A 25 -11.300 3.133 -2.335 1.00 0.00 N ATOM 383 CA GLY A 25 -11.657 4.519 -2.161 1.00 0.00 C ATOM 384 C GLY A 25 -11.293 5.065 -0.795 1.00 0.00 C ATOM 385 O GLY A 25 -11.607 6.218 -0.482 1.00 0.00 O ATOM 0 H GLY A 25 -12.038 2.471 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.159 5.114 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.730 4.633 -2.316 1.00 0.00 H new ATOM 389 N MET A 26 -10.643 4.259 0.025 1.00 0.00 N ATOM 390 CA MET A 26 -10.259 4.709 1.352 1.00 0.00 C ATOM 391 C MET A 26 -8.786 5.189 1.345 1.00 0.00 C ATOM 392 O MET A 26 -8.064 4.969 0.366 1.00 0.00 O ATOM 393 CB MET A 26 -10.481 3.573 2.371 1.00 0.00 C ATOM 394 CG MET A 26 -10.386 4.010 3.820 1.00 0.00 C ATOM 395 SD MET A 26 -11.587 5.306 4.193 1.00 0.00 S ATOM 396 CE MET A 26 -11.242 5.630 5.917 1.00 0.00 C ATOM 0 H MET A 26 -10.372 3.302 -0.200 1.00 0.00 H new ATOM 0 HA MET A 26 -10.881 5.554 1.647 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.464 3.133 2.200 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.745 2.789 2.191 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.557 3.154 4.472 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.379 4.373 4.028 1.00 0.00 H new ATOM 0 HE1 MET A 26 -12.037 6.246 6.338 1.00 0.00 H new ATOM 0 HE2 MET A 26 -11.188 4.687 6.461 1.00 0.00 H new ATOM 0 HE3 MET A 26 -10.291 6.155 6.005 1.00 0.00 H new ATOM 406 N SER A 27 -8.358 5.836 2.420 1.00 0.00 N ATOM 407 CA SER A 27 -7.009 6.346 2.545 1.00 0.00 C ATOM 408 C SER A 27 -6.076 5.253 3.010 1.00 0.00 C ATOM 409 O SER A 27 -6.513 4.246 3.605 1.00 0.00 O ATOM 410 CB SER A 27 -7.000 7.475 3.571 1.00 0.00 C ATOM 411 OG SER A 27 -7.521 7.027 4.813 1.00 0.00 O ATOM 0 H SER A 27 -8.945 6.021 3.233 1.00 0.00 H new ATOM 0 HA SER A 27 -6.674 6.711 1.574 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.982 7.841 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.593 8.313 3.203 1.00 0.00 H new ATOM 0 HG SER A 27 -7.506 7.764 5.459 1.00 0.00 H new ATOM 417 N LEU A 28 -4.796 5.433 2.750 1.00 0.00 N ATOM 418 CA LEU A 28 -3.815 4.476 3.196 1.00 0.00 C ATOM 419 C LEU A 28 -3.676 4.594 4.708 1.00 0.00 C ATOM 420 O LEU A 28 -3.400 3.631 5.371 1.00 0.00 O ATOM 421 CB LEU A 28 -2.483 4.744 2.513 1.00 0.00 C ATOM 422 CG LEU A 28 -1.502 3.544 2.342 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.300 3.976 1.584 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.057 2.935 3.656 1.00 0.00 C ATOM 0 H LEU A 28 -4.417 6.228 2.236 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.131 3.465 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.690 5.152 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.967 5.521 3.077 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.054 2.777 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.380 3.132 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.600 4.337 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.204 4.777 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.377 2.106 3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.547 3.691 4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.927 2.569 4.201 1.00 0.00 H new ATOM 436 N ASN A 29 -3.921 5.785 5.241 1.00 0.00 N ATOM 437 CA ASN A 29 -3.812 6.009 6.708 1.00 0.00 C ATOM 438 C ASN A 29 -4.779 5.123 7.471 1.00 0.00 C ATOM 439 O ASN A 29 -4.478 4.662 8.578 1.00 0.00 O ATOM 440 CB ASN A 29 -3.987 7.483 7.100 1.00 0.00 C ATOM 441 CG ASN A 29 -2.864 8.385 6.596 1.00 0.00 C ATOM 442 OD1 ASN A 29 -1.723 7.947 6.404 1.00 0.00 O ATOM 443 ND2 ASN A 29 -3.165 9.643 6.392 1.00 0.00 N ATOM 0 H ASN A 29 -4.193 6.608 4.704 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.796 5.731 6.989 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.937 7.845 6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.042 7.558 8.186 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.449 10.292 6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.115 9.974 6.559 1.00 0.00 H new ATOM 450 N ASP A 30 -5.920 4.852 6.863 1.00 0.00 N ATOM 451 CA ASP A 30 -6.893 3.933 7.437 1.00 0.00 C ATOM 452 C ASP A 30 -6.350 2.530 7.422 1.00 0.00 C ATOM 453 O ASP A 30 -6.367 1.846 8.435 1.00 0.00 O ATOM 454 CB ASP A 30 -8.174 3.973 6.635 1.00 0.00 C ATOM 455 CG ASP A 30 -9.203 2.953 7.093 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.919 3.210 8.081 1.00 0.00 O ATOM 457 OD2 ASP A 30 -9.321 1.902 6.451 1.00 0.00 O ATOM 0 H ASP A 30 -6.198 5.256 5.969 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.093 4.235 8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.607 4.971 6.704 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.942 3.798 5.584 1.00 0.00 H new ATOM 462 N LEU A 31 -5.808 2.143 6.274 1.00 0.00 N ATOM 463 CA LEU A 31 -5.239 0.798 6.061 1.00 0.00 C ATOM 464 C LEU A 31 -4.081 0.629 7.012 1.00 0.00 C ATOM 465 O LEU A 31 -3.893 -0.424 7.598 1.00 0.00 O ATOM 466 CB LEU A 31 -4.780 0.670 4.581 1.00 0.00 C ATOM 467 CG LEU A 31 -4.341 -0.728 4.039 1.00 0.00 C ATOM 468 CD1 LEU A 31 -4.156 -0.654 2.540 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.033 -1.215 4.664 1.00 0.00 C ATOM 0 H LEU A 31 -5.746 2.748 5.455 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.976 0.018 6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.597 1.024 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.945 1.356 4.436 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.128 -1.434 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.850 -1.630 2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.096 -0.362 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.389 0.083 2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.774 -2.191 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.237 -0.504 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.154 -1.298 5.744 1.00 0.00 H new ATOM 481 N LYS A 32 -3.332 1.693 7.164 1.00 0.00 N ATOM 482 CA LYS A 32 -2.236 1.772 8.103 1.00 0.00 C ATOM 483 C LYS A 32 -2.682 1.422 9.481 1.00 0.00 C ATOM 484 O LYS A 32 -2.125 0.573 10.086 1.00 0.00 O ATOM 485 CB LYS A 32 -1.633 3.184 8.102 1.00 0.00 C ATOM 486 CG LYS A 32 -0.517 3.408 7.097 1.00 0.00 C ATOM 487 CD LYS A 32 0.871 3.224 7.749 1.00 0.00 C ATOM 488 CE LYS A 32 1.003 1.887 8.469 1.00 0.00 C ATOM 489 NZ LYS A 32 2.309 1.730 9.142 1.00 0.00 N ATOM 0 H LYS A 32 -3.469 2.549 6.627 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.478 1.054 7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.429 3.902 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.251 3.400 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.627 2.710 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.595 4.412 6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.642 3.298 6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.047 4.034 8.457 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.205 1.795 9.206 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.869 1.077 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.215 1.058 9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.009 1.371 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.624 2.651 9.508 1.00 0.00 H new ATOM 503 N LYS A 33 -3.716 2.048 9.932 1.00 0.00 N ATOM 504 CA LYS A 33 -4.213 1.852 11.268 1.00 0.00 C ATOM 505 C LYS A 33 -4.811 0.431 11.436 1.00 0.00 C ATOM 506 O LYS A 33 -4.848 -0.113 12.539 1.00 0.00 O ATOM 507 CB LYS A 33 -5.249 2.929 11.551 1.00 0.00 C ATOM 508 CG LYS A 33 -5.482 3.201 13.009 1.00 0.00 C ATOM 509 CD LYS A 33 -4.183 3.655 13.681 1.00 0.00 C ATOM 510 CE LYS A 33 -3.578 4.905 13.017 1.00 0.00 C ATOM 511 NZ LYS A 33 -4.472 6.071 13.095 1.00 0.00 N ATOM 0 H LYS A 33 -4.252 2.720 9.383 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.397 1.933 11.986 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.934 3.854 11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.194 2.636 11.094 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.247 3.969 13.125 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.857 2.302 13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.377 3.865 14.733 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.457 2.843 13.646 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.630 5.145 13.498 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.359 4.688 11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.006 6.895 12.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.355 5.866 12.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.688 6.277 14.091 1.00 0.00 H new ATOM 525 N LYS A 34 -5.219 -0.168 10.327 1.00 0.00 N ATOM 526 CA LYS A 34 -5.820 -1.454 10.302 1.00 0.00 C ATOM 527 C LYS A 34 -4.716 -2.458 10.429 1.00 0.00 C ATOM 528 O LYS A 34 -4.799 -3.438 11.170 1.00 0.00 O ATOM 529 CB LYS A 34 -6.491 -1.607 8.949 1.00 0.00 C ATOM 530 CG LYS A 34 -7.750 -0.795 8.705 1.00 0.00 C ATOM 531 CD LYS A 34 -8.873 -1.158 9.650 1.00 0.00 C ATOM 532 CE LYS A 34 -10.137 -0.407 9.275 1.00 0.00 C ATOM 533 NZ LYS A 34 -11.263 -0.711 10.176 1.00 0.00 N ATOM 0 H LYS A 34 -5.130 0.256 9.404 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.548 -1.590 11.102 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.765 -1.344 8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.736 -2.660 8.810 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.520 0.265 8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.082 -0.947 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.055 -2.232 9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.588 -0.917 10.674 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.939 0.665 9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.416 -0.660 8.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.102 -0.173 9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.473 -1.729 10.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.010 -0.446 11.149 1.00 0.00 H new ATOM 547 N LEU A 35 -3.687 -2.175 9.700 1.00 0.00 N ATOM 548 CA LEU A 35 -2.473 -2.896 9.699 1.00 0.00 C ATOM 549 C LEU A 35 -1.791 -2.779 11.061 1.00 0.00 C ATOM 550 O LEU A 35 -1.337 -3.763 11.608 1.00 0.00 O ATOM 551 CB LEU A 35 -1.601 -2.326 8.588 1.00 0.00 C ATOM 552 CG LEU A 35 -0.190 -2.788 8.568 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.096 -4.295 8.323 1.00 0.00 C ATOM 554 CD2 LEU A 35 0.637 -2.006 7.573 1.00 0.00 C ATOM 0 H LEU A 35 -3.679 -1.386 9.054 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.649 -3.957 9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.058 -2.575 7.630 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.606 -1.239 8.670 1.00 0.00 H new ATOM 0 HG LEU A 35 0.229 -2.596 9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.951 -4.598 8.315 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.621 -4.826 9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.551 -4.537 7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.664 -2.372 7.586 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.220 -2.132 6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.625 -0.949 7.840 1.00 0.00 H new ATOM 566 N GLU A 36 -1.756 -1.581 11.599 1.00 0.00 N ATOM 567 CA GLU A 36 -1.184 -1.309 12.887 1.00 0.00 C ATOM 568 C GLU A 36 -1.878 -2.047 14.001 1.00 0.00 C ATOM 569 O GLU A 36 -1.270 -2.379 15.012 1.00 0.00 O ATOM 570 CB GLU A 36 -1.142 0.168 13.154 1.00 0.00 C ATOM 571 CG GLU A 36 -0.171 0.912 12.279 1.00 0.00 C ATOM 572 CD GLU A 36 1.132 0.189 12.107 1.00 0.00 C ATOM 573 OE1 GLU A 36 1.726 -0.209 13.092 1.00 0.00 O ATOM 574 OE2 GLU A 36 1.561 0.033 10.941 1.00 0.00 O ATOM 0 H GLU A 36 -2.135 -0.754 11.138 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.161 -1.683 12.862 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.139 0.583 13.010 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.876 0.332 14.198 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.622 1.075 11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.019 1.895 12.710 1.00 0.00 H new ATOM 581 N LEU A 37 -3.150 -2.286 13.834 1.00 0.00 N ATOM 582 CA LEU A 37 -3.906 -3.081 14.780 1.00 0.00 C ATOM 583 C LEU A 37 -3.328 -4.510 14.818 1.00 0.00 C ATOM 584 O LEU A 37 -3.340 -5.172 15.852 1.00 0.00 O ATOM 585 CB LEU A 37 -5.383 -3.116 14.369 1.00 0.00 C ATOM 586 CG LEU A 37 -6.343 -3.858 15.307 1.00 0.00 C ATOM 587 CD1 LEU A 37 -6.371 -3.206 16.685 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.741 -3.901 14.708 1.00 0.00 C ATOM 0 H LEU A 37 -3.695 -1.940 13.044 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.832 -2.637 15.773 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.732 -2.088 14.268 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.451 -3.574 13.382 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.983 -4.880 15.424 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.059 -3.751 17.331 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.371 -3.228 17.119 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.703 -2.172 16.592 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.411 -4.431 15.385 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.105 -2.884 14.560 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.710 -4.419 13.749 1.00 0.00 H new ATOM 600 N VAL A 38 -2.805 -4.942 13.687 1.00 0.00 N ATOM 601 CA VAL A 38 -2.223 -6.263 13.527 1.00 0.00 C ATOM 602 C VAL A 38 -0.724 -6.249 13.885 1.00 0.00 C ATOM 603 O VAL A 38 -0.214 -7.187 14.506 1.00 0.00 O ATOM 604 CB VAL A 38 -2.399 -6.763 12.065 1.00 0.00 C ATOM 605 CG1 VAL A 38 -1.820 -8.161 11.880 1.00 0.00 C ATOM 606 CG2 VAL A 38 -3.866 -6.731 11.665 1.00 0.00 C ATOM 0 H VAL A 38 -2.771 -4.377 12.839 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.743 -6.940 14.205 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.845 -6.088 11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.960 -8.479 10.847 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.756 -8.148 12.114 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.330 -8.857 12.546 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.971 -7.084 10.639 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.439 -7.376 12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.241 -5.710 11.738 1.00 0.00 H new ATOM 616 N VAL A 39 -0.028 -5.175 13.519 1.00 0.00 N ATOM 617 CA VAL A 39 1.412 -5.082 13.793 1.00 0.00 C ATOM 618 C VAL A 39 1.662 -4.693 15.237 1.00 0.00 C ATOM 619 O VAL A 39 2.666 -5.093 15.844 1.00 0.00 O ATOM 620 CB VAL A 39 2.120 -4.071 12.848 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.626 -4.099 13.067 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.803 -4.382 11.400 1.00 0.00 C ATOM 0 H VAL A 39 -0.425 -4.367 13.040 1.00 0.00 H new ATOM 0 HA VAL A 39 1.834 -6.070 13.608 1.00 0.00 H new ATOM 0 HB VAL A 39 1.749 -3.073 13.081 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.104 -3.385 12.397 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.848 -3.832 14.100 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.005 -5.100 12.861 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.308 -3.663 10.755 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.146 -5.388 11.160 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.726 -4.318 11.241 1.00 0.00 H new ATOM 632 N GLY A 40 0.733 -3.977 15.807 1.00 0.00 N ATOM 633 CA GLY A 40 0.847 -3.596 17.177 1.00 0.00 C ATOM 634 C GLY A 40 1.786 -2.441 17.379 1.00 0.00 C ATOM 635 O GLY A 40 2.216 -2.178 18.500 1.00 0.00 O ATOM 0 H GLY A 40 -0.111 -3.648 15.339 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.138 -3.330 17.559 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.195 -4.449 17.760 1.00 0.00 H new ATOM 639 N THR A 41 2.134 -1.752 16.321 1.00 0.00 N ATOM 640 CA THR A 41 2.990 -0.608 16.506 1.00 0.00 C ATOM 641 C THR A 41 2.293 0.651 16.015 1.00 0.00 C ATOM 642 O THR A 41 1.048 0.691 15.901 1.00 0.00 O ATOM 643 CB THR A 41 4.416 -0.806 15.864 1.00 0.00 C ATOM 644 OG1 THR A 41 5.304 0.266 16.235 1.00 0.00 O ATOM 645 CG2 THR A 41 4.375 -0.927 14.355 1.00 0.00 C ATOM 0 H THR A 41 1.852 -1.951 15.361 1.00 0.00 H new ATOM 0 HA THR A 41 3.174 -0.494 17.574 1.00 0.00 H new ATOM 0 HB THR A 41 4.792 -1.749 16.260 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.749 0.045 17.080 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.387 -1.061 13.973 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.765 -1.786 14.075 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.944 -0.021 13.929 1.00 0.00 H new ATOM 653 N THR A 42 3.050 1.669 15.810 1.00 0.00 N ATOM 654 CA THR A 42 2.541 2.906 15.355 1.00 0.00 C ATOM 655 C THR A 42 2.805 3.068 13.857 1.00 0.00 C ATOM 656 O THR A 42 3.666 2.386 13.291 1.00 0.00 O ATOM 657 CB THR A 42 3.127 4.068 16.164 1.00 0.00 C ATOM 658 OG1 THR A 42 4.549 4.006 16.139 1.00 0.00 O ATOM 659 CG2 THR A 42 2.649 4.012 17.606 1.00 0.00 C ATOM 0 H THR A 42 4.059 1.662 15.958 1.00 0.00 H new ATOM 0 HA THR A 42 1.462 2.919 15.507 1.00 0.00 H new ATOM 0 HB THR A 42 2.790 5.002 15.715 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.918 4.752 16.656 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.076 4.845 18.164 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.561 4.078 17.632 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.966 3.072 18.058 1.00 0.00 H new ATOM 667 N VAL A 43 2.104 3.994 13.230 1.00 0.00 N ATOM 668 CA VAL A 43 2.149 4.158 11.788 1.00 0.00 C ATOM 669 C VAL A 43 3.529 4.448 11.217 1.00 0.00 C ATOM 670 O VAL A 43 3.918 3.855 10.209 1.00 0.00 O ATOM 671 CB VAL A 43 1.136 5.202 11.288 1.00 0.00 C ATOM 672 CG1 VAL A 43 -0.279 4.686 11.446 1.00 0.00 C ATOM 673 CG2 VAL A 43 1.285 6.521 12.040 1.00 0.00 C ATOM 0 H VAL A 43 1.488 4.653 13.705 1.00 0.00 H new ATOM 0 HA VAL A 43 1.867 3.176 11.408 1.00 0.00 H new ATOM 0 HB VAL A 43 1.340 5.379 10.232 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.982 5.437 11.087 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.399 3.771 10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.475 4.478 12.498 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.556 7.239 11.664 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.115 6.355 13.104 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.291 6.914 11.890 1.00 0.00 H new ATOM 683 N ASP A 44 4.246 5.320 11.849 1.00 0.00 N ATOM 684 CA ASP A 44 5.587 5.711 11.402 1.00 0.00 C ATOM 685 C ASP A 44 6.613 4.586 11.625 1.00 0.00 C ATOM 686 O ASP A 44 7.628 4.503 10.938 1.00 0.00 O ATOM 687 CB ASP A 44 6.027 6.982 12.126 1.00 0.00 C ATOM 688 CG ASP A 44 7.347 7.536 11.633 1.00 0.00 C ATOM 689 OD1 ASP A 44 7.338 8.325 10.659 1.00 0.00 O ATOM 690 OD2 ASP A 44 8.396 7.235 12.221 1.00 0.00 O ATOM 0 H ASP A 44 3.936 5.796 12.696 1.00 0.00 H new ATOM 0 HA ASP A 44 5.540 5.903 10.330 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.256 7.743 12.007 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.106 6.773 13.193 1.00 0.00 H new ATOM 695 N SER A 45 6.325 3.703 12.551 1.00 0.00 N ATOM 696 CA SER A 45 7.202 2.631 12.888 1.00 0.00 C ATOM 697 C SER A 45 7.033 1.414 11.974 1.00 0.00 C ATOM 698 O SER A 45 7.716 0.379 12.142 1.00 0.00 O ATOM 699 CB SER A 45 6.953 2.268 14.315 1.00 0.00 C ATOM 700 OG SER A 45 7.297 3.344 15.170 1.00 0.00 O ATOM 0 H SER A 45 5.461 3.718 13.093 1.00 0.00 H new ATOM 0 HA SER A 45 8.231 2.961 12.747 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.903 2.009 14.452 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.536 1.386 14.579 1.00 0.00 H new ATOM 0 HG SER A 45 6.486 3.701 15.589 1.00 0.00 H new ATOM 706 N MET A 46 6.152 1.527 11.020 1.00 0.00 N ATOM 707 CA MET A 46 5.914 0.453 10.087 1.00 0.00 C ATOM 708 C MET A 46 5.849 1.048 8.677 1.00 0.00 C ATOM 709 O MET A 46 4.990 1.894 8.389 1.00 0.00 O ATOM 710 CB MET A 46 4.610 -0.210 10.455 1.00 0.00 C ATOM 711 CG MET A 46 4.623 -1.715 10.417 1.00 0.00 C ATOM 712 SD MET A 46 4.992 -2.404 8.822 1.00 0.00 S ATOM 713 CE MET A 46 4.966 -4.147 9.254 1.00 0.00 C ATOM 0 H MET A 46 5.581 2.358 10.865 1.00 0.00 H new ATOM 0 HA MET A 46 6.710 -0.291 10.119 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.329 0.110 11.458 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.835 0.148 9.777 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.358 -2.078 11.135 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.650 -2.083 10.742 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.739 -4.672 8.694 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.152 -4.260 10.322 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.991 -4.568 9.009 1.00 0.00 H new ATOM 723 N ARG A 47 6.735 0.619 7.814 1.00 0.00 N ATOM 724 CA ARG A 47 6.889 1.221 6.472 1.00 0.00 C ATOM 725 C ARG A 47 6.265 0.304 5.411 1.00 0.00 C ATOM 726 O ARG A 47 6.341 -0.902 5.533 1.00 0.00 O ATOM 727 CB ARG A 47 8.381 1.448 6.179 1.00 0.00 C ATOM 728 CG ARG A 47 8.686 2.326 4.972 1.00 0.00 C ATOM 729 CD ARG A 47 8.207 3.751 5.210 1.00 0.00 C ATOM 730 NE ARG A 47 8.559 4.659 4.122 1.00 0.00 N ATOM 731 CZ ARG A 47 8.271 5.977 4.104 1.00 0.00 C ATOM 732 NH1 ARG A 47 7.647 6.548 5.144 1.00 0.00 N ATOM 733 NH2 ARG A 47 8.627 6.715 3.059 1.00 0.00 N ATOM 0 H ARG A 47 7.376 -0.152 8.000 1.00 0.00 H new ATOM 0 HA ARG A 47 6.374 2.181 6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.842 1.897 7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.856 0.478 6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.758 2.325 4.777 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.200 1.917 4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.125 3.748 5.338 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.637 4.123 6.140 1.00 0.00 H new ATOM 0 HE ARG A 47 9.057 4.270 3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.387 5.986 5.954 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.432 7.545 5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.116 6.285 2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.411 7.712 3.041 1.00 0.00 H new ATOM 747 N ILE A 48 5.620 0.881 4.398 1.00 0.00 N ATOM 748 CA ILE A 48 4.911 0.085 3.383 1.00 0.00 C ATOM 749 C ILE A 48 5.483 0.263 1.959 1.00 0.00 C ATOM 750 O ILE A 48 5.650 1.393 1.473 1.00 0.00 O ATOM 751 CB ILE A 48 3.347 0.374 3.363 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.612 -0.156 4.621 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.688 -0.178 2.113 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.966 0.523 5.917 1.00 0.00 C ATOM 0 H ILE A 48 5.571 1.890 4.254 1.00 0.00 H new ATOM 0 HA ILE A 48 5.073 -0.950 3.685 1.00 0.00 H new ATOM 0 HB ILE A 48 3.255 1.460 3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.538 -0.056 4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.822 -1.221 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.620 0.040 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.133 0.285 1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.837 -1.257 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.395 0.075 6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.032 0.402 6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.728 1.584 5.849 1.00 0.00 H new ATOM 766 N GLN A 49 5.759 -0.861 1.308 1.00 0.00 N ATOM 767 CA GLN A 49 6.183 -0.915 -0.069 1.00 0.00 C ATOM 768 C GLN A 49 5.087 -1.584 -0.907 1.00 0.00 C ATOM 769 O GLN A 49 4.399 -2.485 -0.428 1.00 0.00 O ATOM 770 CB GLN A 49 7.509 -1.693 -0.281 1.00 0.00 C ATOM 771 CG GLN A 49 8.756 -1.121 0.397 1.00 0.00 C ATOM 772 CD GLN A 49 8.953 -1.547 1.848 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.013 -1.814 2.581 1.00 0.00 O ATOM 774 NE2 GLN A 49 10.190 -1.616 2.258 1.00 0.00 N ATOM 0 H GLN A 49 5.689 -1.781 1.744 1.00 0.00 H new ATOM 0 HA GLN A 49 6.360 0.115 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.366 -2.713 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.701 -1.753 -1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.633 -1.421 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.706 -0.033 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.952 -1.386 1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.395 -1.900 3.216 1.00 0.00 H new ATOM 783 N LEU A 50 4.919 -1.151 -2.133 1.00 0.00 N ATOM 784 CA LEU A 50 3.907 -1.732 -3.014 1.00 0.00 C ATOM 785 C LEU A 50 4.588 -2.493 -4.139 1.00 0.00 C ATOM 786 O LEU A 50 5.502 -1.970 -4.777 1.00 0.00 O ATOM 787 CB LEU A 50 3.037 -0.628 -3.628 1.00 0.00 C ATOM 788 CG LEU A 50 1.826 -1.085 -4.471 1.00 0.00 C ATOM 789 CD1 LEU A 50 0.791 -1.759 -3.617 1.00 0.00 C ATOM 790 CD2 LEU A 50 1.240 0.078 -5.255 1.00 0.00 C ATOM 0 H LEU A 50 5.465 -0.399 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 50 3.282 -2.404 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.669 0.004 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.673 -0.004 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 50 2.177 -1.823 -5.193 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.049 -2.069 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.229 -2.634 -3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.440 -1.064 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.389 -0.270 -5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.912 0.854 -4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.998 0.485 -5.924 1.00 0.00 H new ATOM 802 N PHE A 51 4.163 -3.703 -4.376 1.00 0.00 N ATOM 803 CA PHE A 51 4.688 -4.514 -5.460 1.00 0.00 C ATOM 804 C PHE A 51 3.559 -4.925 -6.378 1.00 0.00 C ATOM 805 O PHE A 51 2.459 -5.246 -5.911 1.00 0.00 O ATOM 806 CB PHE A 51 5.394 -5.762 -4.928 1.00 0.00 C ATOM 807 CG PHE A 51 6.629 -5.493 -4.117 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.558 -5.314 -2.748 1.00 0.00 C ATOM 809 CD2 PHE A 51 7.864 -5.425 -4.731 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.701 -5.073 -2.015 1.00 0.00 C ATOM 811 CE2 PHE A 51 9.005 -5.186 -4.002 1.00 0.00 C ATOM 812 CZ PHE A 51 8.922 -5.009 -2.644 1.00 0.00 C ATOM 0 H PHE A 51 3.439 -4.164 -3.825 1.00 0.00 H new ATOM 0 HA PHE A 51 5.417 -3.918 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.691 -6.326 -4.316 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.663 -6.397 -5.772 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.601 -5.363 -2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.935 -5.562 -5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.637 -4.934 -0.946 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.964 -5.138 -4.497 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.816 -4.819 -2.069 1.00 0.00 H new ATOM 822 N ASP A 52 3.801 -4.912 -7.663 1.00 0.00 N ATOM 823 CA ASP A 52 2.799 -5.281 -8.599 1.00 0.00 C ATOM 824 C ASP A 52 2.925 -6.743 -9.013 1.00 0.00 C ATOM 825 O ASP A 52 3.715 -7.516 -8.431 1.00 0.00 O ATOM 826 CB ASP A 52 2.783 -4.353 -9.824 1.00 0.00 C ATOM 827 CG ASP A 52 4.064 -4.292 -10.624 1.00 0.00 C ATOM 828 OD1 ASP A 52 4.439 -5.304 -11.217 1.00 0.00 O ATOM 829 OD2 ASP A 52 4.697 -3.194 -10.683 1.00 0.00 O ATOM 0 H ASP A 52 4.694 -4.646 -8.077 1.00 0.00 H new ATOM 0 HA ASP A 52 1.840 -5.164 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.979 -4.672 -10.487 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.539 -3.345 -9.489 1.00 0.00 H new ATOM 834 N GLY A 53 2.148 -7.112 -10.010 1.00 0.00 N ATOM 835 CA GLY A 53 2.071 -8.488 -10.473 1.00 0.00 C ATOM 836 C GLY A 53 3.336 -8.986 -11.137 1.00 0.00 C ATOM 837 O GLY A 53 3.517 -10.191 -11.304 1.00 0.00 O ATOM 0 H GLY A 53 1.549 -6.467 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.840 -9.133 -9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.244 -8.578 -11.177 1.00 0.00 H new ATOM 841 N ASP A 54 4.219 -8.082 -11.509 1.00 0.00 N ATOM 842 CA ASP A 54 5.461 -8.465 -12.137 1.00 0.00 C ATOM 843 C ASP A 54 6.553 -8.621 -11.105 1.00 0.00 C ATOM 844 O ASP A 54 7.729 -8.731 -11.448 1.00 0.00 O ATOM 845 CB ASP A 54 5.870 -7.465 -13.217 1.00 0.00 C ATOM 846 CG ASP A 54 4.942 -7.469 -14.402 1.00 0.00 C ATOM 847 OD1 ASP A 54 3.945 -6.729 -14.398 1.00 0.00 O ATOM 848 OD2 ASP A 54 5.198 -8.219 -15.364 1.00 0.00 O ATOM 0 H ASP A 54 4.097 -7.077 -11.386 1.00 0.00 H new ATOM 0 HA ASP A 54 5.307 -9.429 -12.622 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.897 -6.464 -12.787 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.881 -7.695 -13.553 1.00 0.00 H new ATOM 853 N ASP A 55 6.145 -8.604 -9.820 1.00 0.00 N ATOM 854 CA ASP A 55 7.020 -8.826 -8.631 1.00 0.00 C ATOM 855 C ASP A 55 7.880 -7.611 -8.304 1.00 0.00 C ATOM 856 O ASP A 55 8.329 -7.427 -7.167 1.00 0.00 O ATOM 857 CB ASP A 55 7.875 -10.083 -8.802 1.00 0.00 C ATOM 858 CG ASP A 55 8.719 -10.410 -7.588 1.00 0.00 C ATOM 859 OD1 ASP A 55 8.189 -11.013 -6.631 1.00 0.00 O ATOM 860 OD2 ASP A 55 9.926 -10.068 -7.569 1.00 0.00 O ATOM 0 H ASP A 55 5.173 -8.432 -9.564 1.00 0.00 H new ATOM 0 HA ASP A 55 6.359 -8.979 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.223 -10.929 -9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.529 -9.954 -9.665 1.00 0.00 H new ATOM 865 N GLN A 56 8.090 -6.808 -9.301 1.00 0.00 N ATOM 866 CA GLN A 56 8.838 -5.568 -9.216 1.00 0.00 C ATOM 867 C GLN A 56 8.201 -4.579 -8.246 1.00 0.00 C ATOM 868 O GLN A 56 6.991 -4.642 -7.959 1.00 0.00 O ATOM 869 CB GLN A 56 8.939 -4.940 -10.600 1.00 0.00 C ATOM 870 CG GLN A 56 7.592 -4.805 -11.279 1.00 0.00 C ATOM 871 CD GLN A 56 7.643 -4.170 -12.643 1.00 0.00 C ATOM 872 OE1 GLN A 56 8.641 -4.275 -13.363 1.00 0.00 O ATOM 873 NE2 GLN A 56 6.559 -3.545 -13.023 1.00 0.00 N ATOM 0 H GLN A 56 7.735 -6.996 -10.239 1.00 0.00 H new ATOM 0 HA GLN A 56 9.832 -5.804 -8.836 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.399 -3.956 -10.515 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.596 -5.547 -11.223 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.144 -5.794 -11.369 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.935 -4.214 -10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.759 -3.484 -12.394 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.514 -3.119 -13.949 1.00 0.00 H new ATOM 882 N LEU A 57 9.012 -3.681 -7.750 1.00 0.00 N ATOM 883 CA LEU A 57 8.557 -2.666 -6.836 1.00 0.00 C ATOM 884 C LEU A 57 7.810 -1.601 -7.608 1.00 0.00 C ATOM 885 O LEU A 57 8.306 -1.085 -8.618 1.00 0.00 O ATOM 886 CB LEU A 57 9.745 -2.051 -6.071 1.00 0.00 C ATOM 887 CG LEU A 57 9.413 -0.963 -5.029 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.525 -1.509 -3.929 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.682 -0.386 -4.433 1.00 0.00 C ATOM 0 H LEU A 57 10.007 -3.633 -7.969 1.00 0.00 H new ATOM 0 HA LEU A 57 7.887 -3.116 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.276 -2.856 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.434 -1.624 -6.800 1.00 0.00 H new ATOM 0 HG LEU A 57 8.872 -0.169 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.309 -0.719 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.592 -1.872 -4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.034 -2.329 -3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.425 0.379 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.248 -1.179 -3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.287 0.057 -5.224 1.00 0.00 H new ATOM 901 N LYS A 58 6.625 -1.294 -7.161 1.00 0.00 N ATOM 902 CA LYS A 58 5.821 -0.294 -7.798 1.00 0.00 C ATOM 903 C LYS A 58 6.248 1.047 -7.224 1.00 0.00 C ATOM 904 O LYS A 58 6.450 2.020 -7.949 1.00 0.00 O ATOM 905 CB LYS A 58 4.334 -0.579 -7.507 1.00 0.00 C ATOM 906 CG LYS A 58 3.346 -0.014 -8.533 1.00 0.00 C ATOM 907 CD LYS A 58 3.382 1.496 -8.649 1.00 0.00 C ATOM 908 CE LYS A 58 2.452 1.971 -9.745 1.00 0.00 C ATOM 909 NZ LYS A 58 2.824 1.419 -11.071 1.00 0.00 N ATOM 0 H LYS A 58 6.192 -1.730 -6.347 1.00 0.00 H new ATOM 0 HA LYS A 58 5.952 -0.293 -8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.193 -1.658 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.088 -0.171 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.561 -0.449 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.337 -0.324 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.092 1.946 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.399 1.825 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.430 1.678 -9.505 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.470 3.060 -9.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.405 2.005 -11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.859 1.419 -11.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.468 0.445 -11.154 1.00 0.00 H new ATOM 923 N GLY A 59 6.424 1.069 -5.930 1.00 0.00 N ATOM 924 CA GLY A 59 6.858 2.253 -5.255 1.00 0.00 C ATOM 925 C GLY A 59 6.694 2.109 -3.775 1.00 0.00 C ATOM 926 O GLY A 59 6.180 1.082 -3.301 1.00 0.00 O ATOM 0 H GLY A 59 6.270 0.267 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.903 2.450 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.284 3.110 -5.608 1.00 0.00 H new ATOM 930 N GLU A 60 7.116 3.100 -3.047 1.00 0.00 N ATOM 931 CA GLU A 60 6.990 3.115 -1.629 1.00 0.00 C ATOM 932 C GLU A 60 5.808 3.983 -1.292 1.00 0.00 C ATOM 933 O GLU A 60 5.721 5.132 -1.738 1.00 0.00 O ATOM 934 CB GLU A 60 8.277 3.649 -0.993 1.00 0.00 C ATOM 935 CG GLU A 60 8.241 3.740 0.522 1.00 0.00 C ATOM 936 CD GLU A 60 9.540 4.240 1.101 1.00 0.00 C ATOM 937 OE1 GLU A 60 9.811 5.455 1.027 1.00 0.00 O ATOM 938 OE2 GLU A 60 10.301 3.435 1.647 1.00 0.00 O ATOM 0 H GLU A 60 7.564 3.931 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 60 6.833 2.110 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.106 3.005 -1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.484 4.639 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.432 4.406 0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.016 2.757 0.937 1.00 0.00 H new ATOM 945 N LEU A 61 4.907 3.449 -0.534 1.00 0.00 N ATOM 946 CA LEU A 61 3.684 4.134 -0.209 1.00 0.00 C ATOM 947 C LEU A 61 3.854 4.912 1.095 1.00 0.00 C ATOM 948 O LEU A 61 4.950 5.361 1.379 1.00 0.00 O ATOM 949 CB LEU A 61 2.561 3.105 -0.086 1.00 0.00 C ATOM 950 CG LEU A 61 2.261 2.268 -1.330 1.00 0.00 C ATOM 951 CD1 LEU A 61 1.126 1.302 -1.044 1.00 0.00 C ATOM 952 CD2 LEU A 61 1.911 3.159 -2.516 1.00 0.00 C ATOM 0 H LEU A 61 4.992 2.522 -0.118 1.00 0.00 H new ATOM 0 HA LEU A 61 3.433 4.845 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.809 2.426 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.649 3.629 0.201 1.00 0.00 H new ATOM 0 HG LEU A 61 3.156 1.701 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.919 0.710 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.409 0.640 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.233 1.862 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.702 2.539 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.031 3.756 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.749 3.821 -2.734 1.00 0.00 H new ATOM 964 N THR A 62 2.748 5.002 1.872 1.00 0.00 N ATOM 965 CA THR A 62 2.564 5.730 3.168 1.00 0.00 C ATOM 966 C THR A 62 1.762 7.035 3.011 1.00 0.00 C ATOM 967 O THR A 62 1.461 7.708 4.001 1.00 0.00 O ATOM 968 CB THR A 62 3.858 5.954 4.061 1.00 0.00 C ATOM 969 OG1 THR A 62 3.441 6.272 5.404 1.00 0.00 O ATOM 970 CG2 THR A 62 4.692 7.141 3.563 1.00 0.00 C ATOM 0 H THR A 62 1.887 4.532 1.593 1.00 0.00 H new ATOM 0 HA THR A 62 1.973 5.017 3.742 1.00 0.00 H new ATOM 0 HB THR A 62 4.456 5.044 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.633 6.825 5.373 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.569 7.262 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.011 6.957 2.537 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.090 8.049 3.598 1.00 0.00 H new ATOM 978 N ASP A 63 1.381 7.366 1.790 1.00 0.00 N ATOM 979 CA ASP A 63 0.564 8.557 1.566 1.00 0.00 C ATOM 980 C ASP A 63 -0.882 8.212 1.792 1.00 0.00 C ATOM 981 O ASP A 63 -1.478 7.459 1.027 1.00 0.00 O ATOM 982 CB ASP A 63 0.686 9.085 0.146 1.00 0.00 C ATOM 983 CG ASP A 63 2.092 9.358 -0.291 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.744 8.437 -0.809 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.564 10.498 -0.136 1.00 0.00 O ATOM 0 H ASP A 63 1.616 6.841 0.948 1.00 0.00 H new ATOM 0 HA ASP A 63 0.918 9.321 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.239 8.363 -0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.107 10.004 0.062 1.00 0.00 H new ATOM 990 N GLY A 64 -1.440 8.740 2.827 1.00 0.00 N ATOM 991 CA GLY A 64 -2.824 8.484 3.124 1.00 0.00 C ATOM 992 C GLY A 64 -3.672 9.706 2.935 1.00 0.00 C ATOM 993 O GLY A 64 -4.839 9.711 3.289 1.00 0.00 O ATOM 0 H GLY A 64 -0.965 9.354 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.191 7.684 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.916 8.134 4.152 1.00 0.00 H new ATOM 997 N ALA A 65 -3.079 10.750 2.391 1.00 0.00 N ATOM 998 CA ALA A 65 -3.818 11.968 2.072 1.00 0.00 C ATOM 999 C ALA A 65 -4.644 11.735 0.818 1.00 0.00 C ATOM 1000 O ALA A 65 -5.556 12.494 0.492 1.00 0.00 O ATOM 1001 CB ALA A 65 -2.858 13.130 1.865 1.00 0.00 C ATOM 0 H ALA A 65 -2.087 10.785 2.158 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.480 12.218 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.423 14.031 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.282 13.292 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.180 12.900 1.043 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.310 10.668 0.135 1.00 0.00 N ATOM 1008 CA LYS A 66 -4.964 10.249 -1.065 1.00 0.00 C ATOM 1009 C LYS A 66 -5.455 8.823 -0.889 1.00 0.00 C ATOM 1010 O LYS A 66 -5.092 8.161 0.101 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.010 10.399 -2.250 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.640 9.761 -2.035 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.707 10.034 -3.206 1.00 0.00 C ATOM 1014 CE LYS A 66 -2.219 9.399 -4.476 1.00 0.00 C ATOM 1015 NZ LYS A 66 -1.377 9.698 -5.646 1.00 0.00 N ATOM 0 H LYS A 66 -3.548 10.051 0.415 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.832 10.876 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.471 9.954 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.875 11.460 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.197 10.149 -1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.755 8.685 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.606 11.110 -3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.713 9.648 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.273 8.319 -4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.234 9.747 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.640 9.071 -6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.518 10.688 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.377 9.547 -5.402 1.00 0.00 H new ATOM 1029 N SER A 67 -6.255 8.340 -1.812 1.00 0.00 N ATOM 1030 CA SER A 67 -6.824 7.058 -1.677 1.00 0.00 C ATOM 1031 C SER A 67 -5.928 6.009 -2.221 1.00 0.00 C ATOM 1032 O SER A 67 -4.970 6.290 -2.956 1.00 0.00 O ATOM 1033 CB SER A 67 -8.161 7.009 -2.384 1.00 0.00 C ATOM 1034 OG SER A 67 -8.033 7.451 -3.732 1.00 0.00 O ATOM 0 H SER A 67 -6.516 8.836 -2.664 1.00 0.00 H new ATOM 0 HA SER A 67 -6.966 6.864 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.551 5.991 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.880 7.636 -1.857 1.00 0.00 H new ATOM 0 HG SER A 67 -8.907 7.411 -4.174 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.260 4.812 -1.887 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.560 3.634 -2.328 1.00 0.00 C ATOM 1042 C LEU A 68 -5.673 3.502 -3.841 1.00 0.00 C ATOM 1043 O LEU A 68 -4.747 3.058 -4.515 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.156 2.443 -1.600 1.00 0.00 C ATOM 1045 CG LEU A 68 -5.996 2.497 -0.065 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -6.815 1.431 0.625 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -4.533 2.352 0.309 1.00 0.00 C ATOM 0 H LEU A 68 -7.053 4.608 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.497 3.693 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.217 2.377 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.687 1.532 -1.972 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.365 3.466 0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.674 1.504 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.869 1.571 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.494 0.447 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.429 2.391 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.157 1.397 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.961 3.164 -0.140 1.00 0.00 H new ATOM 1059 N LYS A 69 -6.787 3.967 -4.364 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.050 3.946 -5.791 1.00 0.00 C ATOM 1061 C LYS A 69 -6.109 4.895 -6.483 1.00 0.00 C ATOM 1062 O LYS A 69 -5.466 4.554 -7.473 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.487 4.406 -6.076 1.00 0.00 C ATOM 1064 CG LYS A 69 -8.831 4.490 -7.567 1.00 0.00 C ATOM 1065 CD LYS A 69 -10.201 5.119 -7.803 1.00 0.00 C ATOM 1066 CE LYS A 69 -11.314 4.304 -7.182 1.00 0.00 C ATOM 1067 NZ LYS A 69 -12.644 4.924 -7.378 1.00 0.00 N ATOM 0 H LYS A 69 -7.541 4.373 -3.810 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.911 2.928 -6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.180 3.718 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.641 5.385 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.070 5.076 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.812 3.490 -8.000 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.214 6.126 -7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.376 5.215 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.315 3.304 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.124 4.188 -6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.359 4.179 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.886 5.497 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.623 5.531 -8.222 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.006 6.079 -5.924 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.234 7.161 -6.512 1.00 0.00 C ATOM 1083 C ASP A 70 -3.748 6.902 -6.350 1.00 0.00 C ATOM 1084 O ASP A 70 -2.910 7.469 -7.059 1.00 0.00 O ATOM 1085 CB ASP A 70 -5.631 8.451 -5.847 1.00 0.00 C ATOM 1086 CG ASP A 70 -5.134 9.676 -6.574 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -5.464 9.852 -7.750 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -4.472 10.511 -5.956 1.00 0.00 O ATOM 0 H ASP A 70 -6.457 6.325 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.441 7.226 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.718 8.495 -5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.244 8.460 -4.828 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.430 6.060 -5.396 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.052 5.589 -5.183 1.00 0.00 C ATOM 1095 C LEU A 71 -1.663 4.552 -6.228 1.00 0.00 C ATOM 1096 O LEU A 71 -0.483 4.256 -6.414 1.00 0.00 O ATOM 1097 CB LEU A 71 -1.907 4.945 -3.803 1.00 0.00 C ATOM 1098 CG LEU A 71 -1.942 5.850 -2.585 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -1.966 5.008 -1.339 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -0.713 6.721 -2.563 1.00 0.00 C ATOM 0 H LEU A 71 -4.107 5.673 -4.738 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.400 6.459 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.702 4.208 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.963 4.400 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.833 6.476 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.991 5.656 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.852 4.373 -1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.073 4.385 -1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.742 7.369 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.177 6.093 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.684 7.332 -3.465 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.647 4.025 -6.922 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.380 3.013 -7.917 1.00 0.00 C ATOM 1114 C GLY A 72 -2.377 1.632 -7.307 1.00 0.00 C ATOM 1115 O GLY A 72 -1.965 0.657 -7.941 1.00 0.00 O ATOM 0 H GLY A 72 -3.630 4.278 -6.817 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.134 3.064 -8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.416 3.207 -8.387 1.00 0.00 H new ATOM 1119 N VAL A 73 -2.846 1.546 -6.084 1.00 0.00 N ATOM 1120 CA VAL A 73 -2.908 0.303 -5.382 1.00 0.00 C ATOM 1121 C VAL A 73 -4.245 -0.342 -5.727 1.00 0.00 C ATOM 1122 O VAL A 73 -5.292 0.047 -5.210 1.00 0.00 O ATOM 1123 CB VAL A 73 -2.835 0.523 -3.848 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -2.728 -0.793 -3.134 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -1.679 1.420 -3.475 1.00 0.00 C ATOM 0 H VAL A 73 -3.195 2.344 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.067 -0.326 -5.672 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.755 1.018 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.678 -0.621 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.601 -1.403 -3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.827 -1.312 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.656 1.554 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.745 0.965 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.800 2.390 -3.958 1.00 0.00 H new ATOM 1135 N ARG A 74 -4.221 -1.259 -6.646 1.00 0.00 N ATOM 1136 CA ARG A 74 -5.434 -1.892 -7.102 1.00 0.00 C ATOM 1137 C ARG A 74 -5.448 -3.343 -6.678 1.00 0.00 C ATOM 1138 O ARG A 74 -4.512 -3.812 -6.021 1.00 0.00 O ATOM 1139 CB ARG A 74 -5.549 -1.776 -8.623 1.00 0.00 C ATOM 1140 CG ARG A 74 -5.532 -0.344 -9.138 1.00 0.00 C ATOM 1141 CD ARG A 74 -5.626 -0.314 -10.645 1.00 0.00 C ATOM 1142 NE ARG A 74 -5.537 1.042 -11.189 1.00 0.00 N ATOM 1143 CZ ARG A 74 -5.554 1.352 -12.495 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -5.698 0.401 -13.416 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -5.433 2.613 -12.870 1.00 0.00 N ATOM 0 H ARG A 74 -3.371 -1.592 -7.101 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.290 -1.389 -6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.728 -2.326 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -6.473 -2.256 -8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.364 0.212 -8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.616 0.152 -8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.827 -0.924 -11.067 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.569 -0.765 -10.955 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.456 1.811 -10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.797 -0.574 -13.132 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.710 0.647 -14.406 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.327 3.346 -12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.445 2.854 -13.861 1.00 0.00 H new ATOM 1159 N ASP A 75 -6.488 -4.056 -7.050 1.00 0.00 N ATOM 1160 CA ASP A 75 -6.606 -5.449 -6.677 1.00 0.00 C ATOM 1161 C ASP A 75 -5.583 -6.289 -7.355 1.00 0.00 C ATOM 1162 O ASP A 75 -5.250 -6.100 -8.532 1.00 0.00 O ATOM 1163 CB ASP A 75 -8.006 -6.023 -6.900 1.00 0.00 C ATOM 1164 CG ASP A 75 -8.451 -6.042 -8.342 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -8.740 -4.970 -8.906 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -8.559 -7.138 -8.926 1.00 0.00 O ATOM 0 H ASP A 75 -7.262 -3.696 -7.609 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.424 -5.477 -5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.034 -7.041 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.721 -5.440 -6.320 1.00 0.00 H new ATOM 1171 N GLY A 76 -5.074 -7.191 -6.605 1.00 0.00 N ATOM 1172 CA GLY A 76 -4.047 -8.083 -7.096 1.00 0.00 C ATOM 1173 C GLY A 76 -2.642 -7.565 -6.835 1.00 0.00 C ATOM 1174 O GLY A 76 -1.660 -8.272 -7.059 1.00 0.00 O ATOM 0 H GLY A 76 -5.343 -7.347 -5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.163 -9.058 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.182 -8.230 -8.168 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.534 -6.340 -6.374 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.237 -5.779 -6.048 1.00 0.00 C ATOM 1180 C TYR A 77 -0.863 -6.219 -4.665 1.00 0.00 C ATOM 1181 O TYR A 77 -1.743 -6.400 -3.805 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.234 -4.240 -6.158 1.00 0.00 C ATOM 1183 CG TYR A 77 -1.295 -3.700 -7.584 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -2.423 -3.861 -8.378 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.209 -3.027 -8.128 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -2.466 -3.372 -9.668 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.245 -2.535 -9.419 1.00 0.00 C ATOM 1188 CZ TYR A 77 -1.376 -2.711 -10.182 1.00 0.00 C ATOM 1189 OH TYR A 77 -1.414 -2.223 -11.473 1.00 0.00 O ATOM 0 H TYR A 77 -3.323 -5.713 -6.216 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.501 -6.142 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.084 -3.848 -5.600 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.333 -3.857 -5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.283 -4.379 -7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.680 -2.885 -7.531 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.352 -3.508 -10.271 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.610 -2.015 -9.826 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.564 -1.782 -11.681 1.00 0.00 H new ATOM 1199 N ARG A 78 0.401 -6.418 -4.420 1.00 0.00 N ATOM 1200 CA ARG A 78 0.767 -6.871 -3.130 1.00 0.00 C ATOM 1201 C ARG A 78 1.469 -5.820 -2.331 1.00 0.00 C ATOM 1202 O ARG A 78 2.354 -5.117 -2.819 1.00 0.00 O ATOM 1203 CB ARG A 78 1.462 -8.232 -3.109 1.00 0.00 C ATOM 1204 CG ARG A 78 2.829 -8.367 -3.736 1.00 0.00 C ATOM 1205 CD ARG A 78 3.243 -9.808 -3.545 1.00 0.00 C ATOM 1206 NE ARG A 78 4.576 -10.152 -4.003 1.00 0.00 N ATOM 1207 CZ ARG A 78 5.123 -11.363 -3.791 1.00 0.00 C ATOM 1208 NH1 ARG A 78 4.384 -12.347 -3.249 1.00 0.00 N ATOM 1209 NH2 ARG A 78 6.374 -11.608 -4.156 1.00 0.00 N ATOM 0 H ARG A 78 1.166 -6.276 -5.080 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.175 -7.059 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.546 -8.542 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.802 -8.946 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.799 -8.108 -4.794 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.542 -7.692 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.171 -10.049 -2.484 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.526 -10.443 -4.065 1.00 0.00 H new ATOM 0 HE ARG A 78 5.119 -9.449 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.410 -12.175 -2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.797 -13.265 -3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.928 -10.876 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.782 -12.528 -3.992 1.00 0.00 H new ATOM 1223 N ILE A 79 1.039 -5.699 -1.120 1.00 0.00 N ATOM 1224 CA ILE A 79 1.505 -4.703 -0.221 1.00 0.00 C ATOM 1225 C ILE A 79 2.452 -5.335 0.775 1.00 0.00 C ATOM 1226 O ILE A 79 2.116 -6.308 1.444 1.00 0.00 O ATOM 1227 CB ILE A 79 0.316 -3.978 0.528 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -0.521 -3.062 -0.416 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.820 -3.164 1.706 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -1.218 -3.751 -1.579 1.00 0.00 C ATOM 0 H ILE A 79 0.330 -6.312 -0.718 1.00 0.00 H new ATOM 0 HA ILE A 79 2.029 -3.940 -0.797 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.337 -4.772 0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.276 -2.553 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.138 -2.293 -0.819 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.022 -2.678 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.325 -3.822 2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.519 -2.407 1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.767 -3.013 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.475 -4.235 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.912 -4.499 -1.196 1.00 0.00 H new ATOM 1242 N HIS A 80 3.612 -4.798 0.846 1.00 0.00 N ATOM 1243 CA HIS A 80 4.626 -5.257 1.733 1.00 0.00 C ATOM 1244 C HIS A 80 4.830 -4.242 2.824 1.00 0.00 C ATOM 1245 O HIS A 80 5.017 -3.080 2.557 1.00 0.00 O ATOM 1246 CB HIS A 80 5.930 -5.464 0.955 1.00 0.00 C ATOM 1247 CG HIS A 80 7.097 -5.779 1.823 1.00 0.00 C ATOM 1248 ND1 HIS A 80 7.269 -6.992 2.425 1.00 0.00 N ATOM 1249 CD2 HIS A 80 8.117 -4.995 2.237 1.00 0.00 C ATOM 1250 CE1 HIS A 80 8.337 -6.956 3.189 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.881 -5.751 3.091 1.00 0.00 N ATOM 0 H HIS A 80 3.896 -4.003 0.274 1.00 0.00 H new ATOM 0 HA HIS A 80 4.325 -6.205 2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.791 -6.274 0.239 1.00 0.00 H new ATOM 0 HB3 HIS A 80 6.148 -4.564 0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.297 -3.969 1.951 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.709 -7.770 3.794 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.726 -5.438 3.570 1.00 0.00 H new ATOM 1260 N ALA A 81 4.798 -4.680 4.023 1.00 0.00 N ATOM 1261 CA ALA A 81 5.034 -3.817 5.129 1.00 0.00 C ATOM 1262 C ALA A 81 6.277 -4.281 5.877 1.00 0.00 C ATOM 1263 O ALA A 81 6.497 -5.481 6.037 1.00 0.00 O ATOM 1264 CB ALA A 81 3.807 -3.780 6.015 1.00 0.00 C ATOM 0 H ALA A 81 4.607 -5.650 4.274 1.00 0.00 H new ATOM 0 HA ALA A 81 5.218 -2.799 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.990 -3.118 6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.956 -3.411 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.591 -4.784 6.379 1.00 0.00 H new ATOM 1270 N VAL A 82 7.086 -3.355 6.308 1.00 0.00 N ATOM 1271 CA VAL A 82 8.307 -3.672 6.976 1.00 0.00 C ATOM 1272 C VAL A 82 8.335 -3.020 8.347 1.00 0.00 C ATOM 1273 O VAL A 82 8.042 -1.818 8.506 1.00 0.00 O ATOM 1274 CB VAL A 82 9.563 -3.274 6.115 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.565 -1.801 5.771 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.870 -3.651 6.803 1.00 0.00 C ATOM 0 H VAL A 82 6.912 -2.355 6.203 1.00 0.00 H new ATOM 0 HA VAL A 82 8.354 -4.753 7.110 1.00 0.00 H new ATOM 0 HB VAL A 82 9.490 -3.843 5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.448 -1.567 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.669 -1.560 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.580 -1.213 6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.710 -3.358 6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.938 -3.137 7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.898 -4.728 6.967 1.00 0.00 H new ATOM 1286 N ASP A 83 8.677 -3.806 9.315 1.00 0.00 N ATOM 1287 CA ASP A 83 8.716 -3.415 10.666 1.00 0.00 C ATOM 1288 C ASP A 83 9.972 -2.638 10.922 1.00 0.00 C ATOM 1289 O ASP A 83 11.063 -3.182 10.876 1.00 0.00 O ATOM 1290 CB ASP A 83 8.734 -4.660 11.532 1.00 0.00 C ATOM 1291 CG ASP A 83 7.598 -5.619 11.250 1.00 0.00 C ATOM 1292 OD1 ASP A 83 7.718 -6.433 10.295 1.00 0.00 O ATOM 1293 OD2 ASP A 83 6.589 -5.591 11.971 1.00 0.00 O ATOM 0 H ASP A 83 8.947 -4.779 9.168 1.00 0.00 H new ATOM 0 HA ASP A 83 7.846 -2.801 10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.681 -5.180 11.384 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.694 -4.363 12.580 1.00 0.00 H new ATOM 1298 N VAL A 84 9.828 -1.377 11.180 1.00 0.00 N ATOM 1299 CA VAL A 84 10.978 -0.548 11.465 1.00 0.00 C ATOM 1300 C VAL A 84 11.353 -0.721 12.927 1.00 0.00 C ATOM 1301 O VAL A 84 12.526 -0.835 13.282 1.00 0.00 O ATOM 1302 CB VAL A 84 10.691 0.948 11.161 1.00 0.00 C ATOM 1303 CG1 VAL A 84 11.913 1.819 11.437 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.217 1.129 9.724 1.00 0.00 C ATOM 0 H VAL A 84 8.932 -0.891 11.202 1.00 0.00 H new ATOM 0 HA VAL A 84 11.803 -0.859 10.824 1.00 0.00 H new ATOM 0 HB VAL A 84 9.894 1.271 11.830 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.676 2.859 11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.195 1.728 12.486 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.742 1.492 10.809 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.023 2.185 9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.987 0.774 9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.302 0.558 9.568 1.00 0.00 H new ATOM 1314 N THR A 85 10.334 -0.792 13.762 1.00 0.00 N ATOM 1315 CA THR A 85 10.515 -0.927 15.191 1.00 0.00 C ATOM 1316 C THR A 85 10.967 -2.338 15.569 1.00 0.00 C ATOM 1317 O THR A 85 11.723 -2.526 16.524 1.00 0.00 O ATOM 1318 CB THR A 85 9.207 -0.553 15.953 1.00 0.00 C ATOM 1319 OG1 THR A 85 9.402 -0.601 17.373 1.00 0.00 O ATOM 1320 CG2 THR A 85 8.053 -1.478 15.570 1.00 0.00 C ATOM 0 H THR A 85 9.358 -0.758 13.467 1.00 0.00 H new ATOM 0 HA THR A 85 11.302 -0.233 15.487 1.00 0.00 H new ATOM 0 HB THR A 85 8.952 0.466 15.662 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.567 -0.361 17.826 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.157 -1.189 16.120 1.00 0.00 H new ATOM 0 HG22 THR A 85 7.863 -1.399 14.500 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.314 -2.507 15.817 1.00 0.00 H new ATOM 1328 N GLY A 86 10.536 -3.305 14.803 1.00 0.00 N ATOM 1329 CA GLY A 86 10.865 -4.681 15.098 1.00 0.00 C ATOM 1330 C GLY A 86 12.139 -5.125 14.434 1.00 0.00 C ATOM 1331 O GLY A 86 12.598 -6.242 14.654 1.00 0.00 O ATOM 0 H GLY A 86 9.959 -3.170 13.973 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.959 -4.805 16.177 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.047 -5.324 14.773 1.00 0.00 H new ATOM 1335 N GLY A 87 12.716 -4.247 13.629 1.00 0.00 N ATOM 1336 CA GLY A 87 13.927 -4.583 12.905 1.00 0.00 C ATOM 1337 C GLY A 87 13.676 -5.598 11.801 1.00 0.00 C ATOM 1338 O GLY A 87 12.576 -6.168 11.694 1.00 0.00 O ATOM 0 H GLY A 87 12.367 -3.303 13.462 1.00 0.00 H new ATOM 0 HA2 GLY A 87 14.353 -3.677 12.473 1.00 0.00 H new ATOM 0 HA3 GLY A 87 14.665 -4.981 13.601 1.00 0.00 H new ATOM 1342 N ASN A 88 14.664 -5.835 10.982 1.00 0.00 N ATOM 1343 CA ASN A 88 14.522 -6.771 9.924 1.00 0.00 C ATOM 1344 C ASN A 88 14.767 -8.181 10.436 1.00 0.00 C ATOM 1345 O ASN A 88 15.831 -8.469 10.996 1.00 0.00 O ATOM 1346 CB ASN A 88 15.481 -6.444 8.777 1.00 0.00 C ATOM 1347 CG ASN A 88 15.307 -7.367 7.590 1.00 0.00 C ATOM 1348 OD1 ASN A 88 16.250 -7.652 6.869 1.00 0.00 O ATOM 1349 ND2 ASN A 88 14.104 -7.797 7.361 1.00 0.00 N ATOM 0 H ASN A 88 15.578 -5.385 11.036 1.00 0.00 H new ATOM 0 HA ASN A 88 13.503 -6.708 9.542 1.00 0.00 H new ATOM 0 HB2 ASN A 88 15.322 -5.414 8.458 1.00 0.00 H new ATOM 0 HB3 ASN A 88 16.508 -6.511 9.137 1.00 0.00 H new ATOM 0 HD21 ASN A 88 13.921 -8.395 6.555 1.00 0.00 H new ATOM 0 HD22 ASN A 88 13.342 -7.537 7.987 1.00 0.00 H new ATOM 1356 N GLU A 89 13.760 -9.038 10.238 1.00 0.00 N ATOM 1357 CA GLU A 89 13.782 -10.453 10.614 1.00 0.00 C ATOM 1358 C GLU A 89 14.217 -10.686 12.065 1.00 0.00 C ATOM 1359 O GLU A 89 15.391 -10.972 12.351 1.00 0.00 O ATOM 1360 CB GLU A 89 14.602 -11.282 9.628 1.00 0.00 C ATOM 1361 CG GLU A 89 14.060 -11.250 8.208 1.00 0.00 C ATOM 1362 CD GLU A 89 14.915 -12.023 7.250 1.00 0.00 C ATOM 1363 OE1 GLU A 89 14.812 -13.260 7.219 1.00 0.00 O ATOM 1364 OE2 GLU A 89 15.707 -11.407 6.509 1.00 0.00 O ATOM 0 H GLU A 89 12.883 -8.757 9.799 1.00 0.00 H new ATOM 0 HA GLU A 89 12.750 -10.800 10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.629 -10.916 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.633 -12.316 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.049 -11.658 8.199 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.989 -10.215 7.873 1.00 0.00 H new ATOM 1371 N ASP A 90 13.279 -10.523 12.961 1.00 0.00 N ATOM 1372 CA ASP A 90 13.515 -10.665 14.383 1.00 0.00 C ATOM 1373 C ASP A 90 12.431 -11.513 15.003 1.00 0.00 C ATOM 1374 O ASP A 90 11.313 -10.997 15.223 1.00 0.00 O ATOM 1375 CB ASP A 90 13.577 -9.293 15.055 1.00 0.00 C ATOM 1376 CG ASP A 90 13.716 -9.373 16.555 1.00 0.00 C ATOM 1377 OD1 ASP A 90 14.772 -9.836 17.048 1.00 0.00 O ATOM 1378 OD2 ASP A 90 12.778 -8.978 17.276 1.00 0.00 O ATOM 0 H ASP A 90 12.316 -10.285 12.726 1.00 0.00 H new ATOM 0 HA ASP A 90 14.474 -11.160 14.533 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.419 -8.734 14.648 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.674 -8.734 14.809 1.00 0.00 H new TER 1383 ASP A 90