USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 874 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 23 TYR OH : rot 35:sc= -0.872 USER MOD Set 1.2: A 45 GLN : amide:sc= -0.817 K(o=-0.43,f=-4.7!) USER MOD Set 1.3: A 66 SER OG : rot 85:sc= 1.26 USER MOD Set 2.1: A 9 ASN : amide:sc= -0.642 K(o=1.7,f=-13!) USER MOD Set 2.2: A 41 LYS NZ :NH3+ 137:sc= 2.36 (180deg=-2.02) USER MOD Single : A 1 TYR N :NH3+ -164:sc= 0.968 (180deg=0.277) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0524) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= 1.3 (180deg=1) USER MOD Single : A 11 GLN : amide:sc= -4.3! K(o=-4.3!,f=-2) USER MOD Single : A 16 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.4) USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= -0.0593 (180deg=-0.406) USER MOD Single : A 22 SER OG : rot 66:sc= 0.753 USER MOD Single : A 24 MET CE :methyl 163:sc= -0.014 (180deg=-0.301) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0321) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.219 K(o=0.22,f=-0.81) USER MOD Single : A 50 THR OG1 : rot 100:sc= -1.64! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 59 GLN : amide:sc= -1.76! K(o=-1.8!,f=-1) USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00998) USER MOD Single : A 65 THR OG1 : rot 91:sc= 1.25 USER MOD Single : A 69 TYR OH : rot -136:sc= 0.0561 USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= 1.19 (180deg=0.654) USER MOD Single : A 73 ASN : amide:sc= 1.15 K(o=1.2,f=-0.33) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -180:sc= -0.29 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 169:sc= -0.0084 (180deg=-0.148) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 0.812 (180deg=0.608) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0.472 (180deg=0.149) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.925 USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.21) USER MOD Single : A 102 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.23) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -20.682 -3.613 5.890 1.00 0.00 N ATOM 2 CA TYR A 1 -21.006 -2.202 5.592 1.00 0.00 C ATOM 3 C TYR A 1 -19.731 -1.437 5.275 1.00 0.00 C ATOM 4 O TYR A 1 -19.752 -0.311 4.752 1.00 0.00 O ATOM 5 CB TYR A 1 -21.689 -1.549 6.800 1.00 0.00 C ATOM 6 CG TYR A 1 -22.921 -2.273 7.283 1.00 0.00 C ATOM 7 CD1 TYR A 1 -24.120 -2.182 6.595 1.00 0.00 C ATOM 8 CD2 TYR A 1 -22.884 -3.043 8.437 1.00 0.00 C ATOM 9 CE1 TYR A 1 -25.247 -2.832 7.043 1.00 0.00 C ATOM 10 CE2 TYR A 1 -24.009 -3.700 8.889 1.00 0.00 C ATOM 11 CZ TYR A 1 -25.186 -3.590 8.189 1.00 0.00 C ATOM 12 OH TYR A 1 -26.312 -4.229 8.645 1.00 0.00 O ATOM 0 H1 TYR A 1 -21.548 -4.186 5.839 1.00 0.00 H new ATOM 0 H2 TYR A 1 -19.992 -3.965 5.196 1.00 0.00 H new ATOM 0 H3 TYR A 1 -20.277 -3.682 6.846 1.00 0.00 H new ATOM 0 HA TYR A 1 -21.679 -2.174 4.735 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -20.972 -1.489 7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -21.962 -0.526 6.540 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -24.171 -1.591 5.692 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -21.960 -3.129 8.989 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -26.175 -2.747 6.497 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -23.965 -4.297 9.788 1.00 0.00 H new ATOM 0 HH TYR A 1 -26.099 -4.723 9.464 1.00 0.00 H new ATOM 24 N THR A 2 -18.625 -2.014 5.639 1.00 0.00 N ATOM 25 CA THR A 2 -17.337 -1.494 5.352 1.00 0.00 C ATOM 26 C THR A 2 -16.414 -2.699 5.252 1.00 0.00 C ATOM 27 O THR A 2 -15.852 -3.150 6.244 1.00 0.00 O ATOM 28 CB THR A 2 -16.852 -0.526 6.458 1.00 0.00 C ATOM 29 OG1 THR A 2 -17.834 0.513 6.668 1.00 0.00 O ATOM 30 CG2 THR A 2 -15.564 0.128 6.044 1.00 0.00 C ATOM 0 H THR A 2 -18.602 -2.890 6.162 1.00 0.00 H new ATOM 0 HA THR A 2 -17.350 -0.915 4.428 1.00 0.00 H new ATOM 0 HB THR A 2 -16.705 -1.099 7.373 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.522 1.121 7.370 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.232 0.807 6.829 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.804 -0.636 5.880 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.720 0.688 5.122 1.00 0.00 H new ATOM 38 N ASP A 3 -16.342 -3.261 4.075 1.00 0.00 N ATOM 39 CA ASP A 3 -15.667 -4.539 3.887 1.00 0.00 C ATOM 40 C ASP A 3 -14.744 -4.528 2.687 1.00 0.00 C ATOM 41 O ASP A 3 -13.702 -5.169 2.702 1.00 0.00 O ATOM 42 CB ASP A 3 -16.710 -5.656 3.682 1.00 0.00 C ATOM 43 CG ASP A 3 -17.655 -5.860 4.856 1.00 0.00 C ATOM 44 OD1 ASP A 3 -18.652 -5.094 4.992 1.00 0.00 O ATOM 45 OD2 ASP A 3 -17.455 -6.819 5.632 1.00 0.00 O ATOM 0 H ASP A 3 -16.740 -2.862 3.225 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.072 -4.718 4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -17.299 -5.427 2.794 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -16.187 -6.592 3.486 1.00 0.00 H new ATOM 50 N LYS A 4 -15.091 -3.742 1.674 1.00 0.00 N ATOM 51 CA LYS A 4 -14.399 -3.738 0.365 1.00 0.00 C ATOM 52 C LYS A 4 -14.813 -2.526 -0.416 1.00 0.00 C ATOM 53 O LYS A 4 -15.983 -2.213 -0.471 1.00 0.00 O ATOM 54 CB LYS A 4 -14.649 -5.004 -0.502 1.00 0.00 C ATOM 55 CG LYS A 4 -13.890 -6.258 -0.082 1.00 0.00 C ATOM 56 CD LYS A 4 -14.042 -7.368 -1.105 1.00 0.00 C ATOM 57 CE LYS A 4 -13.211 -8.585 -0.729 1.00 0.00 C ATOM 58 NZ LYS A 4 -13.684 -9.226 0.516 1.00 0.00 N ATOM 0 H LYS A 4 -15.865 -3.080 1.726 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.333 -3.727 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.716 -5.226 -0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.386 -4.772 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.834 -6.020 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.258 -6.600 0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.091 -7.652 -1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.736 -7.005 -2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.243 -9.309 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.169 -8.287 -0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.165 -10.115 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.519 -8.587 1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -14.701 -9.428 0.438 1.00 0.00 H new ATOM 72 N TYR A 5 -13.827 -1.842 -1.026 1.00 0.00 N ATOM 73 CA TYR A 5 -14.011 -0.525 -1.700 1.00 0.00 C ATOM 74 C TYR A 5 -14.752 0.463 -0.808 1.00 0.00 C ATOM 75 O TYR A 5 -15.345 1.425 -1.255 1.00 0.00 O ATOM 76 CB TYR A 5 -14.586 -0.583 -3.159 1.00 0.00 C ATOM 77 CG TYR A 5 -15.952 -1.217 -3.372 1.00 0.00 C ATOM 78 CD1 TYR A 5 -17.112 -0.466 -3.263 1.00 0.00 C ATOM 79 CD2 TYR A 5 -16.073 -2.560 -3.704 1.00 0.00 C ATOM 80 CE1 TYR A 5 -18.351 -1.032 -3.471 1.00 0.00 C ATOM 81 CE2 TYR A 5 -17.310 -3.133 -3.916 1.00 0.00 C ATOM 82 CZ TYR A 5 -18.446 -2.364 -3.796 1.00 0.00 C ATOM 83 OH TYR A 5 -19.682 -2.929 -4.007 1.00 0.00 O ATOM 0 H TYR A 5 -12.867 -2.184 -1.070 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.999 -0.148 -1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -14.630 0.437 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -13.869 -1.123 -3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -17.043 0.582 -3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -15.184 -3.166 -3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -19.244 -0.431 -3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -17.387 -4.179 -4.175 1.00 0.00 H new ATOM 0 HH TYR A 5 -19.575 -3.877 -4.229 1.00 0.00 H new ATOM 93 N ASP A 6 -14.651 0.233 0.471 1.00 0.00 N ATOM 94 CA ASP A 6 -15.255 1.089 1.434 1.00 0.00 C ATOM 95 C ASP A 6 -14.175 1.809 2.148 1.00 0.00 C ATOM 96 O ASP A 6 -13.831 2.927 1.807 1.00 0.00 O ATOM 97 CB ASP A 6 -16.086 0.319 2.472 1.00 0.00 C ATOM 98 CG ASP A 6 -17.201 -0.503 1.901 1.00 0.00 C ATOM 99 OD1 ASP A 6 -18.137 0.070 1.313 1.00 0.00 O ATOM 100 OD2 ASP A 6 -17.162 -1.737 2.053 1.00 0.00 O ATOM 0 H ASP A 6 -14.144 -0.558 0.869 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.927 1.766 0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.421 -0.337 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.506 1.032 3.182 1.00 0.00 H new ATOM 105 N LYS A 7 -13.459 1.082 2.978 1.00 0.00 N ATOM 106 CA LYS A 7 -12.561 1.729 3.909 1.00 0.00 C ATOM 107 C LYS A 7 -11.580 0.755 4.562 1.00 0.00 C ATOM 108 O LYS A 7 -10.460 0.632 4.092 1.00 0.00 O ATOM 109 CB LYS A 7 -13.348 2.512 4.948 1.00 0.00 C ATOM 110 CG LYS A 7 -12.476 3.321 5.875 1.00 0.00 C ATOM 111 CD LYS A 7 -13.271 4.221 6.799 1.00 0.00 C ATOM 112 CE LYS A 7 -14.229 3.455 7.690 1.00 0.00 C ATOM 113 NZ LYS A 7 -14.938 4.354 8.614 1.00 0.00 N ATOM 0 H LYS A 7 -13.479 0.063 3.028 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.951 2.428 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -14.043 3.180 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.947 1.818 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.865 2.645 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.792 3.930 5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.583 4.793 7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.833 4.939 6.203 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.952 2.920 7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.679 2.706 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.877 3.962 8.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.393 4.447 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.046 5.290 8.174 1.00 0.00 H new ATOM 127 N ILE A 8 -12.014 0.004 5.582 1.00 0.00 N ATOM 128 CA ILE A 8 -11.102 -0.915 6.316 1.00 0.00 C ATOM 129 C ILE A 8 -10.922 -2.232 5.570 1.00 0.00 C ATOM 130 O ILE A 8 -10.775 -3.292 6.152 1.00 0.00 O ATOM 131 CB ILE A 8 -11.650 -1.235 7.727 1.00 0.00 C ATOM 132 CG1 ILE A 8 -13.073 -1.821 7.627 1.00 0.00 C ATOM 133 CG2 ILE A 8 -11.625 0.016 8.600 1.00 0.00 C ATOM 134 CD1 ILE A 8 -13.612 -2.379 8.922 1.00 0.00 C ATOM 0 H ILE A 8 -12.975 0.006 5.923 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.143 -0.403 6.396 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.011 -1.984 8.195 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -13.749 -1.043 7.272 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.075 -2.612 6.877 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.013 -0.223 9.590 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.600 0.377 8.690 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.244 0.790 8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.617 -2.770 8.760 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.962 -3.182 9.271 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.647 -1.589 9.672 1.00 0.00 H new ATOM 146 N ASN A 9 -10.819 -2.120 4.298 1.00 0.00 N ATOM 147 CA ASN A 9 -10.635 -3.235 3.434 1.00 0.00 C ATOM 148 C ASN A 9 -9.194 -3.314 2.941 1.00 0.00 C ATOM 149 O ASN A 9 -8.947 -3.932 1.922 1.00 0.00 O ATOM 150 CB ASN A 9 -11.526 -3.058 2.208 1.00 0.00 C ATOM 151 CG ASN A 9 -11.256 -1.756 1.441 1.00 0.00 C ATOM 152 OD1 ASN A 9 -12.008 -0.782 1.535 1.00 0.00 O ATOM 153 ND2 ASN A 9 -10.150 -1.694 0.779 1.00 0.00 N ATOM 0 H ASN A 9 -10.861 -1.225 3.810 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.882 -4.140 3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.379 -3.904 1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.570 -3.077 2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.880 -0.825 0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.546 -2.514 0.717 1.00 0.00 H new ATOM 160 N LEU A 10 -8.272 -2.671 3.620 1.00 0.00 N ATOM 161 CA LEU A 10 -6.893 -2.551 3.169 1.00 0.00 C ATOM 162 C LEU A 10 -6.295 -3.907 2.826 1.00 0.00 C ATOM 163 O LEU A 10 -5.821 -4.102 1.732 1.00 0.00 O ATOM 164 CB LEU A 10 -6.094 -1.826 4.233 1.00 0.00 C ATOM 165 CG LEU A 10 -6.687 -0.478 4.625 1.00 0.00 C ATOM 166 CD1 LEU A 10 -6.124 -0.012 5.933 1.00 0.00 C ATOM 167 CD2 LEU A 10 -6.424 0.543 3.531 1.00 0.00 C ATOM 0 H LEU A 10 -8.454 -2.210 4.511 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.862 -1.970 2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.028 -2.457 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.076 -1.675 3.873 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.764 -0.591 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.561 0.952 6.194 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.359 -0.739 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.042 0.091 5.848 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.851 1.503 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.349 0.653 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.883 0.206 2.601 1.00 0.00 H new ATOM 179 N GLN A 11 -6.405 -4.852 3.718 1.00 0.00 N ATOM 180 CA GLN A 11 -5.900 -6.183 3.468 1.00 0.00 C ATOM 181 C GLN A 11 -6.959 -7.024 2.741 1.00 0.00 C ATOM 182 O GLN A 11 -6.618 -7.948 1.986 1.00 0.00 O ATOM 183 CB GLN A 11 -5.434 -6.871 4.754 1.00 0.00 C ATOM 184 CG GLN A 11 -4.585 -8.127 4.518 1.00 0.00 C ATOM 185 CD GLN A 11 -3.085 -7.859 4.250 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.245 -8.707 4.545 1.00 0.00 O ATOM 187 NE2 GLN A 11 -2.712 -6.679 3.770 1.00 0.00 N ATOM 0 H GLN A 11 -6.842 -4.729 4.631 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.024 -6.092 2.825 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.856 -6.160 5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.308 -7.142 5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.673 -8.776 5.389 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.999 -8.673 3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.416 -5.981 3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.722 -6.470 3.643 1.00 0.00 H new ATOM 196 N GLU A 12 -8.249 -6.661 2.927 1.00 0.00 N ATOM 197 CA GLU A 12 -9.378 -7.432 2.343 1.00 0.00 C ATOM 198 C GLU A 12 -9.377 -7.266 0.847 1.00 0.00 C ATOM 199 O GLU A 12 -10.037 -7.988 0.109 1.00 0.00 O ATOM 200 CB GLU A 12 -10.722 -6.944 2.894 1.00 0.00 C ATOM 201 CG GLU A 12 -10.897 -7.129 4.384 1.00 0.00 C ATOM 202 CD GLU A 12 -10.844 -8.574 4.792 1.00 0.00 C ATOM 203 OE1 GLU A 12 -9.741 -9.107 5.003 1.00 0.00 O ATOM 204 OE2 GLU A 12 -11.903 -9.209 4.915 1.00 0.00 O ATOM 0 H GLU A 12 -8.536 -5.847 3.471 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.248 -8.481 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.834 -5.886 2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.524 -7.473 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.118 -6.577 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.852 -6.703 4.691 1.00 0.00 H new ATOM 211 N ILE A 13 -8.679 -6.268 0.443 1.00 0.00 N ATOM 212 CA ILE A 13 -8.482 -5.938 -0.900 1.00 0.00 C ATOM 213 C ILE A 13 -7.067 -6.304 -1.347 1.00 0.00 C ATOM 214 O ILE A 13 -6.905 -7.007 -2.335 1.00 0.00 O ATOM 215 CB ILE A 13 -8.754 -4.441 -1.103 1.00 0.00 C ATOM 216 CG1 ILE A 13 -10.266 -4.132 -1.105 1.00 0.00 C ATOM 217 CG2 ILE A 13 -8.067 -3.899 -2.302 1.00 0.00 C ATOM 218 CD1 ILE A 13 -11.071 -4.822 -2.175 1.00 0.00 C ATOM 0 H ILE A 13 -8.208 -5.631 1.086 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.177 -6.510 -1.514 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.324 -3.922 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.676 -4.407 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.398 -3.056 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.291 -2.837 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.991 -4.034 -2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.414 -4.427 -3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.119 -4.535 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.698 -4.530 -3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.980 -5.902 -2.059 1.00 0.00 H new ATOM 230 N LEU A 14 -6.049 -5.858 -0.577 1.00 0.00 N ATOM 231 CA LEU A 14 -4.626 -6.029 -0.939 1.00 0.00 C ATOM 232 C LEU A 14 -4.215 -7.477 -1.212 1.00 0.00 C ATOM 233 O LEU A 14 -3.195 -7.730 -1.829 1.00 0.00 O ATOM 234 CB LEU A 14 -3.725 -5.454 0.126 1.00 0.00 C ATOM 235 CG LEU A 14 -2.245 -5.417 -0.208 1.00 0.00 C ATOM 236 CD1 LEU A 14 -1.948 -4.437 -1.339 1.00 0.00 C ATOM 237 CD2 LEU A 14 -1.478 -5.068 1.001 1.00 0.00 C ATOM 0 H LEU A 14 -6.191 -5.372 0.308 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.509 -5.484 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.054 -4.438 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.857 -6.034 1.039 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.944 -6.406 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.879 -4.438 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.495 -4.737 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.258 -3.435 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.415 -5.041 0.762 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.794 -4.089 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.657 -5.815 1.774 1.00 0.00 H new ATOM 249 N GLU A 15 -4.986 -8.411 -0.728 1.00 0.00 N ATOM 250 CA GLU A 15 -4.703 -9.797 -0.970 1.00 0.00 C ATOM 251 C GLU A 15 -4.832 -10.199 -2.475 1.00 0.00 C ATOM 252 O GLU A 15 -4.284 -11.221 -2.902 1.00 0.00 O ATOM 253 CB GLU A 15 -5.498 -10.689 0.010 1.00 0.00 C ATOM 254 CG GLU A 15 -5.468 -12.179 -0.304 1.00 0.00 C ATOM 255 CD GLU A 15 -5.946 -13.043 0.825 1.00 0.00 C ATOM 256 OE1 GLU A 15 -7.161 -13.260 0.965 1.00 0.00 O ATOM 257 OE2 GLU A 15 -5.097 -13.551 1.593 1.00 0.00 O ATOM 0 H GLU A 15 -5.817 -8.236 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.648 -9.971 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.105 -10.537 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.536 -10.356 0.020 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.086 -12.369 -1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.449 -12.466 -0.563 1.00 0.00 H new ATOM 264 N ASN A 16 -5.513 -9.387 -3.279 1.00 0.00 N ATOM 265 CA ASN A 16 -5.647 -9.683 -4.712 1.00 0.00 C ATOM 266 C ASN A 16 -5.681 -8.418 -5.523 1.00 0.00 C ATOM 267 O ASN A 16 -6.554 -7.611 -5.319 1.00 0.00 O ATOM 268 CB ASN A 16 -6.947 -10.449 -5.042 1.00 0.00 C ATOM 269 CG ASN A 16 -7.057 -11.821 -4.438 1.00 0.00 C ATOM 270 OD1 ASN A 16 -6.602 -12.805 -5.015 1.00 0.00 O ATOM 271 ND2 ASN A 16 -7.713 -11.913 -3.313 1.00 0.00 N ATOM 0 H ASN A 16 -5.976 -8.531 -2.974 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.781 -10.296 -4.961 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -7.795 -9.853 -4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.031 -10.539 -6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.863 -12.826 -2.883 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.076 -11.072 -2.864 1.00 0.00 H new ATOM 278 N LYS A 17 -4.742 -8.257 -6.449 1.00 0.00 N ATOM 279 CA LYS A 17 -4.712 -7.139 -7.444 1.00 0.00 C ATOM 280 C LYS A 17 -6.081 -6.792 -8.041 1.00 0.00 C ATOM 281 O LYS A 17 -6.406 -5.625 -8.211 1.00 0.00 O ATOM 282 CB LYS A 17 -3.671 -7.371 -8.576 1.00 0.00 C ATOM 283 CG LYS A 17 -3.756 -8.678 -9.392 1.00 0.00 C ATOM 284 CD LYS A 17 -3.466 -9.926 -8.553 1.00 0.00 C ATOM 285 CE LYS A 17 -3.044 -11.104 -9.408 1.00 0.00 C ATOM 286 NZ LYS A 17 -1.725 -10.882 -10.035 1.00 0.00 N ATOM 0 H LYS A 17 -3.957 -8.900 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.398 -6.274 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.748 -6.538 -9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.678 -7.322 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.751 -8.763 -9.829 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.048 -8.630 -10.219 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.680 -9.702 -7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.356 -10.193 -7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.008 -12.004 -8.794 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.791 -11.276 -10.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.303 -11.798 -10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.841 -10.304 -10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.101 -10.387 -9.366 1.00 0.00 H new ATOM 300 N ARG A 18 -6.893 -7.798 -8.318 1.00 0.00 N ATOM 301 CA ARG A 18 -8.255 -7.566 -8.820 1.00 0.00 C ATOM 302 C ARG A 18 -9.121 -6.831 -7.770 1.00 0.00 C ATOM 303 O ARG A 18 -9.965 -5.963 -8.088 1.00 0.00 O ATOM 304 CB ARG A 18 -8.944 -8.859 -9.358 1.00 0.00 C ATOM 305 CG ARG A 18 -8.777 -10.147 -8.527 1.00 0.00 C ATOM 306 CD ARG A 18 -7.477 -10.890 -8.880 1.00 0.00 C ATOM 307 NE ARG A 18 -7.324 -12.165 -8.161 1.00 0.00 N ATOM 308 CZ ARG A 18 -6.493 -13.166 -8.529 1.00 0.00 C ATOM 309 NH1 ARG A 18 -5.862 -13.124 -9.704 1.00 0.00 N ATOM 310 NH2 ARG A 18 -6.346 -14.224 -7.744 1.00 0.00 N ATOM 0 H ARG A 18 -6.644 -8.781 -8.208 1.00 0.00 H new ATOM 0 HA ARG A 18 -8.159 -6.911 -9.686 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.011 -8.657 -9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.562 -9.052 -10.361 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.776 -9.897 -7.466 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.629 -10.804 -8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.455 -11.081 -9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.626 -10.248 -8.653 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.887 -12.304 -7.322 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.005 -12.333 -10.332 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.237 -13.883 -9.974 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.859 -14.282 -6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.720 -14.980 -8.020 1.00 0.00 H new ATOM 324 N LEU A 19 -8.857 -7.107 -6.529 1.00 0.00 N ATOM 325 CA LEU A 19 -9.535 -6.445 -5.466 1.00 0.00 C ATOM 326 C LEU A 19 -8.956 -5.042 -5.285 1.00 0.00 C ATOM 327 O LEU A 19 -9.673 -4.118 -4.913 1.00 0.00 O ATOM 328 CB LEU A 19 -9.477 -7.248 -4.173 1.00 0.00 C ATOM 329 CG LEU A 19 -10.215 -8.585 -4.171 1.00 0.00 C ATOM 330 CD1 LEU A 19 -10.047 -9.266 -2.831 1.00 0.00 C ATOM 331 CD2 LEU A 19 -11.696 -8.386 -4.466 1.00 0.00 C ATOM 0 H LEU A 19 -8.167 -7.796 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.590 -6.357 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.430 -7.435 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.883 -6.633 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.788 -9.214 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.576 -10.219 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.988 -9.441 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -10.456 -8.630 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.201 -9.352 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.135 -7.741 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.813 -7.922 -5.445 1.00 0.00 H new ATOM 343 N LEU A 20 -7.661 -4.870 -5.595 1.00 0.00 N ATOM 344 CA LEU A 20 -7.029 -3.534 -5.567 1.00 0.00 C ATOM 345 C LEU A 20 -7.721 -2.669 -6.566 1.00 0.00 C ATOM 346 O LEU A 20 -8.086 -1.532 -6.281 1.00 0.00 O ATOM 347 CB LEU A 20 -5.519 -3.569 -5.873 1.00 0.00 C ATOM 348 CG LEU A 20 -4.564 -3.953 -4.738 1.00 0.00 C ATOM 349 CD1 LEU A 20 -4.812 -5.338 -4.238 1.00 0.00 C ATOM 350 CD2 LEU A 20 -3.141 -3.820 -5.188 1.00 0.00 C ATOM 0 H LEU A 20 -7.034 -5.628 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.130 -3.139 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.361 -4.269 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.229 -2.583 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.751 -3.266 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.112 -5.566 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.832 -5.412 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.673 -6.049 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.474 -4.096 -4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.965 -4.479 -6.039 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.947 -2.788 -5.482 1.00 0.00 H new ATOM 362 N GLU A 21 -7.946 -3.255 -7.724 1.00 0.00 N ATOM 363 CA GLU A 21 -8.711 -2.657 -8.786 1.00 0.00 C ATOM 364 C GLU A 21 -10.101 -2.243 -8.302 1.00 0.00 C ATOM 365 O GLU A 21 -10.655 -1.243 -8.765 1.00 0.00 O ATOM 366 CB GLU A 21 -8.821 -3.641 -9.936 1.00 0.00 C ATOM 367 CG GLU A 21 -7.543 -3.794 -10.721 1.00 0.00 C ATOM 368 CD GLU A 21 -7.164 -2.501 -11.388 1.00 0.00 C ATOM 369 OE1 GLU A 21 -7.832 -2.117 -12.386 1.00 0.00 O ATOM 370 OE2 GLU A 21 -6.215 -1.842 -10.928 1.00 0.00 O ATOM 0 H GLU A 21 -7.591 -4.183 -7.953 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.200 -1.755 -9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.116 -4.614 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.614 -3.315 -10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.740 -4.114 -10.057 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.665 -4.574 -11.473 1.00 0.00 H new ATOM 377 N SER A 22 -10.630 -2.995 -7.358 1.00 0.00 N ATOM 378 CA SER A 22 -11.921 -2.713 -6.777 1.00 0.00 C ATOM 379 C SER A 22 -11.919 -1.474 -5.809 1.00 0.00 C ATOM 380 O SER A 22 -12.886 -0.740 -5.782 1.00 0.00 O ATOM 381 CB SER A 22 -12.482 -3.971 -6.118 1.00 0.00 C ATOM 382 OG SER A 22 -12.485 -5.058 -7.061 1.00 0.00 O ATOM 0 H SER A 22 -10.172 -3.821 -6.973 1.00 0.00 H new ATOM 0 HA SER A 22 -12.587 -2.422 -7.589 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.881 -4.235 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.495 -3.784 -5.762 1.00 0.00 H new ATOM 0 HG SER A 22 -11.562 -5.293 -7.292 1.00 0.00 H new ATOM 388 N TYR A 23 -10.842 -1.223 -5.020 1.00 0.00 N ATOM 389 CA TYR A 23 -10.834 0.022 -4.177 1.00 0.00 C ATOM 390 C TYR A 23 -9.916 1.069 -4.824 1.00 0.00 C ATOM 391 O TYR A 23 -9.533 2.093 -4.209 1.00 0.00 O ATOM 392 CB TYR A 23 -10.443 -0.197 -2.646 1.00 0.00 C ATOM 393 CG TYR A 23 -8.943 -0.284 -2.282 1.00 0.00 C ATOM 394 CD1 TYR A 23 -7.980 -0.800 -3.134 1.00 0.00 C ATOM 395 CD2 TYR A 23 -8.522 0.180 -1.048 1.00 0.00 C ATOM 396 CE1 TYR A 23 -6.647 -0.853 -2.751 1.00 0.00 C ATOM 397 CE2 TYR A 23 -7.203 0.134 -0.643 1.00 0.00 C ATOM 398 CZ TYR A 23 -6.270 -0.388 -1.506 1.00 0.00 C ATOM 399 OH TYR A 23 -4.979 -0.467 -1.122 1.00 0.00 O ATOM 0 H TYR A 23 -10.015 -1.815 -4.943 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.866 0.371 -4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.879 0.620 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.922 -1.116 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.270 -1.165 -4.108 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.256 0.596 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.906 -1.257 -3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.911 0.500 0.330 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.398 -0.327 -1.898 1.00 0.00 H new ATOM 409 N MET A 24 -9.583 0.812 -6.067 1.00 0.00 N ATOM 410 CA MET A 24 -8.687 1.647 -6.842 1.00 0.00 C ATOM 411 C MET A 24 -9.233 3.064 -7.029 1.00 0.00 C ATOM 412 O MET A 24 -8.500 3.967 -7.349 1.00 0.00 O ATOM 413 CB MET A 24 -8.303 0.991 -8.171 1.00 0.00 C ATOM 414 CG MET A 24 -7.151 1.679 -8.890 1.00 0.00 C ATOM 415 SD MET A 24 -5.652 1.788 -7.896 1.00 0.00 S ATOM 416 CE MET A 24 -5.229 0.051 -7.701 1.00 0.00 C ATOM 0 H MET A 24 -9.932 0.003 -6.580 1.00 0.00 H new ATOM 0 HA MET A 24 -7.768 1.747 -6.264 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.034 -0.049 -7.987 1.00 0.00 H new ATOM 0 HB3 MET A 24 -9.174 0.984 -8.826 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.930 1.137 -9.809 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.461 2.683 -9.179 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.191 -0.037 -7.381 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.879 -0.400 -6.952 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.360 -0.464 -8.652 1.00 0.00 H new ATOM 426 N ASP A 25 -10.527 3.242 -6.893 1.00 0.00 N ATOM 427 CA ASP A 25 -11.109 4.592 -6.871 1.00 0.00 C ATOM 428 C ASP A 25 -10.559 5.386 -5.691 1.00 0.00 C ATOM 429 O ASP A 25 -10.241 6.564 -5.810 1.00 0.00 O ATOM 430 CB ASP A 25 -12.614 4.546 -6.806 1.00 0.00 C ATOM 431 CG ASP A 25 -13.239 5.902 -6.557 1.00 0.00 C ATOM 432 OD1 ASP A 25 -13.318 6.718 -7.491 1.00 0.00 O ATOM 433 OD2 ASP A 25 -13.654 6.166 -5.422 1.00 0.00 O ATOM 0 H ASP A 25 -11.203 2.485 -6.796 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.829 5.088 -7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.000 4.141 -7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.917 3.862 -6.013 1.00 0.00 H new ATOM 438 N CYS A 26 -10.392 4.713 -4.577 1.00 0.00 N ATOM 439 CA CYS A 26 -9.808 5.326 -3.412 1.00 0.00 C ATOM 440 C CYS A 26 -8.347 5.639 -3.646 1.00 0.00 C ATOM 441 O CYS A 26 -7.868 6.681 -3.231 1.00 0.00 O ATOM 442 CB CYS A 26 -9.959 4.459 -2.151 1.00 0.00 C ATOM 443 SG CYS A 26 -11.567 4.502 -1.284 1.00 0.00 S ATOM 0 H CYS A 26 -10.655 3.735 -4.455 1.00 0.00 H new ATOM 0 HA CYS A 26 -10.356 6.253 -3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -9.754 3.425 -2.428 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -9.187 4.759 -1.442 1.00 0.00 H new ATOM 448 N VAL A 27 -7.630 4.727 -4.281 1.00 0.00 N ATOM 449 CA VAL A 27 -6.211 4.976 -4.504 1.00 0.00 C ATOM 450 C VAL A 27 -5.938 5.894 -5.729 1.00 0.00 C ATOM 451 O VAL A 27 -5.323 6.951 -5.595 1.00 0.00 O ATOM 452 CB VAL A 27 -5.426 3.643 -4.665 1.00 0.00 C ATOM 453 CG1 VAL A 27 -3.930 3.895 -4.835 1.00 0.00 C ATOM 454 CG2 VAL A 27 -5.676 2.728 -3.477 1.00 0.00 C ATOM 0 H VAL A 27 -7.986 3.841 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.859 5.502 -3.617 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.789 3.152 -5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.411 2.943 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.762 4.504 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.547 4.418 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.118 1.801 -3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.349 3.222 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.741 2.504 -3.408 1.00 0.00 H new ATOM 464 N LEU A 28 -6.429 5.514 -6.902 1.00 0.00 N ATOM 465 CA LEU A 28 -6.144 6.272 -8.106 1.00 0.00 C ATOM 466 C LEU A 28 -7.347 7.109 -8.555 1.00 0.00 C ATOM 467 O LEU A 28 -7.196 8.201 -9.090 1.00 0.00 O ATOM 468 CB LEU A 28 -5.681 5.331 -9.221 1.00 0.00 C ATOM 469 CG LEU A 28 -5.012 5.989 -10.429 1.00 0.00 C ATOM 470 CD1 LEU A 28 -3.718 6.686 -10.015 1.00 0.00 C ATOM 471 CD2 LEU A 28 -4.729 4.955 -11.494 1.00 0.00 C ATOM 0 H LEU A 28 -7.020 4.694 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.340 6.972 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.983 4.611 -8.793 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.545 4.767 -9.573 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.692 6.738 -10.834 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.258 7.148 -10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.939 7.454 -9.273 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.032 5.955 -9.587 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.253 5.434 -12.349 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.065 4.190 -11.091 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.664 4.494 -11.811 1.00 0.00 H new ATOM 483 N GLY A 29 -8.533 6.592 -8.318 1.00 0.00 N ATOM 484 CA GLY A 29 -9.745 7.269 -8.758 1.00 0.00 C ATOM 485 C GLY A 29 -10.384 6.571 -9.946 1.00 0.00 C ATOM 486 O GLY A 29 -10.910 7.223 -10.850 1.00 0.00 O ATOM 0 H GLY A 29 -8.689 5.712 -7.827 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.458 7.309 -7.934 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.509 8.299 -9.026 1.00 0.00 H new ATOM 490 N LYS A 30 -10.318 5.240 -9.957 1.00 0.00 N ATOM 491 CA LYS A 30 -10.866 4.455 -11.062 1.00 0.00 C ATOM 492 C LYS A 30 -12.361 4.145 -10.929 1.00 0.00 C ATOM 493 O LYS A 30 -13.191 4.720 -11.642 1.00 0.00 O ATOM 494 CB LYS A 30 -10.119 3.135 -11.253 1.00 0.00 C ATOM 495 CG LYS A 30 -8.701 3.242 -11.770 1.00 0.00 C ATOM 496 CD LYS A 30 -8.195 1.855 -12.180 1.00 0.00 C ATOM 497 CE LYS A 30 -6.768 1.876 -12.714 1.00 0.00 C ATOM 498 NZ LYS A 30 -6.634 2.670 -13.952 1.00 0.00 N ATOM 0 H LYS A 30 -9.892 4.684 -9.215 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.730 5.097 -11.933 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.097 2.612 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.690 2.514 -11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.665 3.920 -12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.054 3.663 -11.001 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.246 1.187 -11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.856 1.444 -12.942 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.105 2.285 -11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.441 0.854 -12.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.669 2.568 -14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.318 2.330 -14.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.820 3.672 -13.744 1.00 0.00 H new ATOM 512 N GLY A 31 -12.695 3.245 -10.020 1.00 0.00 N ATOM 513 CA GLY A 31 -14.055 2.743 -9.960 1.00 0.00 C ATOM 514 C GLY A 31 -14.909 3.404 -8.925 1.00 0.00 C ATOM 515 O GLY A 31 -15.310 4.554 -9.085 1.00 0.00 O ATOM 0 H GLY A 31 -12.057 2.854 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.521 2.873 -10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.026 1.672 -9.761 1.00 0.00 H new ATOM 519 N LYS A 32 -15.178 2.693 -7.865 1.00 0.00 N ATOM 520 CA LYS A 32 -16.013 3.179 -6.799 1.00 0.00 C ATOM 521 C LYS A 32 -15.383 2.852 -5.468 1.00 0.00 C ATOM 522 O LYS A 32 -14.696 1.833 -5.337 1.00 0.00 O ATOM 523 CB LYS A 32 -17.438 2.619 -6.917 1.00 0.00 C ATOM 524 CG LYS A 32 -17.543 1.103 -7.010 1.00 0.00 C ATOM 525 CD LYS A 32 -18.988 0.696 -7.221 1.00 0.00 C ATOM 526 CE LYS A 32 -19.151 -0.806 -7.392 1.00 0.00 C ATOM 527 NZ LYS A 32 -20.555 -1.172 -7.695 1.00 0.00 N ATOM 0 H LYS A 32 -14.820 1.750 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 32 -16.096 4.263 -6.875 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -18.013 2.953 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -17.908 3.053 -7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.930 0.737 -7.834 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.157 0.647 -6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.584 1.028 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.380 1.203 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.502 -1.154 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.831 -1.313 -6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -20.629 -2.204 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -21.170 -0.862 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.852 -0.708 -8.577 1.00 0.00 H new ATOM 541 N CYS A 33 -15.593 3.719 -4.508 1.00 0.00 N ATOM 542 CA CYS A 33 -15.011 3.623 -3.199 1.00 0.00 C ATOM 543 C CYS A 33 -15.562 4.808 -2.384 1.00 0.00 C ATOM 544 O CYS A 33 -16.308 5.625 -2.941 1.00 0.00 O ATOM 545 CB CYS A 33 -13.492 3.698 -3.321 1.00 0.00 C ATOM 546 SG CYS A 33 -12.573 2.937 -1.969 1.00 0.00 S ATOM 0 H CYS A 33 -16.193 4.535 -4.624 1.00 0.00 H new ATOM 0 HA CYS A 33 -15.258 2.682 -2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.195 3.221 -4.255 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.201 4.746 -3.392 1.00 0.00 H new ATOM 551 N THR A 34 -15.222 4.939 -1.108 1.00 0.00 N ATOM 552 CA THR A 34 -15.835 5.995 -0.321 1.00 0.00 C ATOM 553 C THR A 34 -14.791 7.094 -0.018 1.00 0.00 C ATOM 554 O THR A 34 -13.616 6.770 0.182 1.00 0.00 O ATOM 555 CB THR A 34 -16.534 5.434 0.981 1.00 0.00 C ATOM 556 OG1 THR A 34 -17.657 6.246 1.327 1.00 0.00 O ATOM 557 CG2 THR A 34 -15.599 5.399 2.179 1.00 0.00 C ATOM 0 H THR A 34 -14.551 4.351 -0.613 1.00 0.00 H new ATOM 0 HA THR A 34 -16.636 6.448 -0.905 1.00 0.00 H new ATOM 0 HB THR A 34 -16.841 4.415 0.747 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.083 5.888 2.134 1.00 0.00 H new ATOM 0 HG21 THR A 34 -16.132 5.005 3.045 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.746 4.759 1.956 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.248 6.408 2.397 1.00 0.00 H new ATOM 565 N PRO A 35 -15.199 8.393 -0.010 1.00 0.00 N ATOM 566 CA PRO A 35 -14.311 9.561 0.241 1.00 0.00 C ATOM 567 C PRO A 35 -13.368 9.388 1.449 1.00 0.00 C ATOM 568 O PRO A 35 -12.145 9.561 1.326 1.00 0.00 O ATOM 569 CB PRO A 35 -15.303 10.715 0.492 1.00 0.00 C ATOM 570 CG PRO A 35 -16.649 10.070 0.574 1.00 0.00 C ATOM 571 CD PRO A 35 -16.570 8.847 -0.267 1.00 0.00 C ATOM 0 HA PRO A 35 -13.633 9.721 -0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -15.064 11.245 1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.267 11.447 -0.315 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.899 9.819 1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.427 10.743 0.212 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.309 8.101 0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.737 9.065 -1.322 1.00 0.00 H new ATOM 579 N GLU A 36 -13.935 9.013 2.592 1.00 0.00 N ATOM 580 CA GLU A 36 -13.170 8.791 3.828 1.00 0.00 C ATOM 581 C GLU A 36 -12.099 7.737 3.596 1.00 0.00 C ATOM 582 O GLU A 36 -10.937 7.882 4.022 1.00 0.00 O ATOM 583 CB GLU A 36 -14.125 8.353 4.934 1.00 0.00 C ATOM 584 CG GLU A 36 -13.487 8.034 6.276 1.00 0.00 C ATOM 585 CD GLU A 36 -14.532 7.736 7.336 1.00 0.00 C ATOM 586 OE1 GLU A 36 -15.173 6.669 7.277 1.00 0.00 O ATOM 587 OE2 GLU A 36 -14.764 8.583 8.217 1.00 0.00 O ATOM 0 H GLU A 36 -14.937 8.853 2.694 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.677 9.716 4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.863 9.141 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.666 7.470 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.822 7.177 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.873 8.875 6.596 1.00 0.00 H new ATOM 594 N GLY A 37 -12.488 6.712 2.868 1.00 0.00 N ATOM 595 CA GLY A 37 -11.605 5.653 2.542 1.00 0.00 C ATOM 596 C GLY A 37 -10.502 6.131 1.644 1.00 0.00 C ATOM 597 O GLY A 37 -9.352 5.797 1.868 1.00 0.00 O ATOM 0 H GLY A 37 -13.431 6.605 2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.180 5.235 3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.157 4.852 2.051 1.00 0.00 H new ATOM 601 N LYS A 38 -10.858 6.928 0.633 1.00 0.00 N ATOM 602 CA LYS A 38 -9.898 7.467 -0.328 1.00 0.00 C ATOM 603 C LYS A 38 -8.761 8.191 0.356 1.00 0.00 C ATOM 604 O LYS A 38 -7.617 8.034 -0.034 1.00 0.00 O ATOM 605 CB LYS A 38 -10.549 8.422 -1.353 1.00 0.00 C ATOM 606 CG LYS A 38 -11.809 7.893 -2.031 1.00 0.00 C ATOM 607 CD LYS A 38 -12.104 8.603 -3.349 1.00 0.00 C ATOM 608 CE LYS A 38 -12.214 10.112 -3.193 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.481 10.778 -4.482 1.00 0.00 N ATOM 0 H LYS A 38 -11.821 7.217 0.459 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.509 6.599 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.793 9.357 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.814 8.657 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.698 6.824 -2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.658 8.014 -1.358 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.315 8.373 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.035 8.216 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.013 10.347 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.289 10.502 -2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.549 11.805 -4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.706 10.574 -5.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.376 10.425 -4.876 1.00 0.00 H new ATOM 623 N GLU A 39 -9.058 8.908 1.428 1.00 0.00 N ATOM 624 CA GLU A 39 -8.055 9.738 2.039 1.00 0.00 C ATOM 625 C GLU A 39 -7.153 8.920 2.917 1.00 0.00 C ATOM 626 O GLU A 39 -5.915 9.116 2.934 1.00 0.00 O ATOM 627 CB GLU A 39 -8.678 10.887 2.816 1.00 0.00 C ATOM 628 CG GLU A 39 -9.583 11.752 1.967 1.00 0.00 C ATOM 629 CD GLU A 39 -10.020 13.002 2.670 1.00 0.00 C ATOM 630 OE1 GLU A 39 -11.008 12.973 3.439 1.00 0.00 O ATOM 631 OE2 GLU A 39 -9.363 14.047 2.485 1.00 0.00 O ATOM 0 H GLU A 39 -9.972 8.927 1.880 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.453 10.174 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.249 10.485 3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.885 11.505 3.238 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.063 12.021 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.463 11.176 1.679 1.00 0.00 H new ATOM 638 N LEU A 40 -7.738 7.984 3.634 1.00 0.00 N ATOM 639 CA LEU A 40 -6.948 7.163 4.484 1.00 0.00 C ATOM 640 C LEU A 40 -6.094 6.181 3.697 1.00 0.00 C ATOM 641 O LEU A 40 -4.920 5.996 4.011 1.00 0.00 O ATOM 642 CB LEU A 40 -7.763 6.506 5.610 1.00 0.00 C ATOM 643 CG LEU A 40 -8.877 5.477 5.306 1.00 0.00 C ATOM 644 CD1 LEU A 40 -8.329 4.105 4.837 1.00 0.00 C ATOM 645 CD2 LEU A 40 -9.709 5.307 6.557 1.00 0.00 C ATOM 0 H LEU A 40 -8.739 7.786 3.637 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.248 7.824 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.050 6.015 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.224 7.313 6.180 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.477 5.858 4.479 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.161 3.429 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.746 4.238 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.694 3.682 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.504 4.585 6.370 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.076 4.948 7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.148 6.265 6.835 1.00 0.00 H new ATOM 657 N LYS A 41 -6.669 5.610 2.638 1.00 0.00 N ATOM 658 CA LYS A 41 -5.971 4.640 1.798 1.00 0.00 C ATOM 659 C LYS A 41 -4.849 5.310 1.061 1.00 0.00 C ATOM 660 O LYS A 41 -3.790 4.723 0.895 1.00 0.00 O ATOM 661 CB LYS A 41 -6.935 3.966 0.825 1.00 0.00 C ATOM 662 CG LYS A 41 -7.898 2.987 1.467 1.00 0.00 C ATOM 663 CD LYS A 41 -9.166 2.905 0.698 1.00 0.00 C ATOM 664 CE LYS A 41 -10.134 1.992 1.370 1.00 0.00 C ATOM 665 NZ LYS A 41 -11.422 1.931 0.658 1.00 0.00 N ATOM 0 H LYS A 41 -7.625 5.806 2.341 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.552 3.865 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.510 4.737 0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.356 3.441 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.437 2.001 1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.109 3.297 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.603 3.899 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.962 2.547 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.706 0.991 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.301 2.330 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.747 0.944 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.126 2.504 1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.303 2.301 -0.307 1.00 0.00 H new ATOM 679 N ASP A 42 -5.094 6.548 0.640 1.00 0.00 N ATOM 680 CA ASP A 42 -4.078 7.395 0.012 1.00 0.00 C ATOM 681 C ASP A 42 -2.850 7.481 0.883 1.00 0.00 C ATOM 682 O ASP A 42 -1.776 7.116 0.471 1.00 0.00 O ATOM 683 CB ASP A 42 -4.647 8.801 -0.228 1.00 0.00 C ATOM 684 CG ASP A 42 -3.598 9.870 -0.486 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.116 10.012 -1.623 1.00 0.00 O ATOM 686 OD2 ASP A 42 -3.275 10.630 0.454 1.00 0.00 O ATOM 0 H ASP A 42 -6.006 6.996 0.724 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.797 6.952 -0.943 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.326 8.764 -1.079 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.239 9.093 0.640 1.00 0.00 H new ATOM 691 N HIS A 43 -3.043 7.879 2.122 1.00 0.00 N ATOM 692 CA HIS A 43 -1.921 8.075 3.029 1.00 0.00 C ATOM 693 C HIS A 43 -1.324 6.767 3.531 1.00 0.00 C ATOM 694 O HIS A 43 -0.116 6.675 3.741 1.00 0.00 O ATOM 695 CB HIS A 43 -2.309 8.972 4.204 1.00 0.00 C ATOM 696 CG HIS A 43 -2.559 10.392 3.818 1.00 0.00 C ATOM 697 ND1 HIS A 43 -3.803 10.963 3.789 1.00 0.00 N ATOM 698 CD2 HIS A 43 -1.698 11.362 3.455 1.00 0.00 C ATOM 699 CE1 HIS A 43 -3.698 12.218 3.421 1.00 0.00 C ATOM 700 NE2 HIS A 43 -2.429 12.490 3.210 1.00 0.00 N ATOM 0 H HIS A 43 -3.959 8.074 2.527 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.146 8.573 2.446 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.205 8.570 4.676 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.515 8.942 4.950 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -4.676 10.487 4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.625 11.266 3.373 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.518 12.912 3.310 1.00 0.00 H new ATOM 709 N LEU A 44 -2.152 5.767 3.691 1.00 0.00 N ATOM 710 CA LEU A 44 -1.727 4.493 4.236 1.00 0.00 C ATOM 711 C LEU A 44 -0.981 3.644 3.202 1.00 0.00 C ATOM 712 O LEU A 44 0.097 3.132 3.482 1.00 0.00 O ATOM 713 CB LEU A 44 -2.937 3.782 4.849 1.00 0.00 C ATOM 714 CG LEU A 44 -2.719 2.451 5.547 1.00 0.00 C ATOM 715 CD1 LEU A 44 -3.783 2.297 6.609 1.00 0.00 C ATOM 716 CD2 LEU A 44 -2.827 1.299 4.550 1.00 0.00 C ATOM 0 H LEU A 44 -3.142 5.808 3.448 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.000 4.663 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.392 4.463 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.666 3.624 4.054 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.724 2.429 5.991 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.647 1.347 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.702 3.114 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.768 2.319 6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.668 0.353 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.818 1.302 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.072 1.418 3.773 1.00 0.00 H new ATOM 728 N GLN A 45 -1.534 3.508 2.016 1.00 0.00 N ATOM 729 CA GLN A 45 -0.853 2.771 0.962 1.00 0.00 C ATOM 730 C GLN A 45 0.385 3.551 0.474 1.00 0.00 C ATOM 731 O GLN A 45 1.319 2.981 -0.063 1.00 0.00 O ATOM 732 CB GLN A 45 -1.795 2.390 -0.191 1.00 0.00 C ATOM 733 CG GLN A 45 -2.942 1.427 0.196 1.00 0.00 C ATOM 734 CD GLN A 45 -2.465 0.099 0.822 1.00 0.00 C ATOM 735 OE1 GLN A 45 -1.360 -0.352 0.555 1.00 0.00 O ATOM 736 NE2 GLN A 45 -3.348 -0.584 1.569 1.00 0.00 N ATOM 0 H GLN A 45 -2.442 3.891 1.755 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.509 1.827 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.229 3.301 -0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.206 1.930 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.604 1.931 0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.532 1.206 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.262 -0.181 1.774 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.104 -1.506 1.931 1.00 0.00 H new ATOM 745 N GLU A 46 0.365 4.870 0.651 1.00 0.00 N ATOM 746 CA GLU A 46 1.540 5.702 0.384 1.00 0.00 C ATOM 747 C GLU A 46 2.620 5.375 1.421 1.00 0.00 C ATOM 748 O GLU A 46 3.810 5.258 1.089 1.00 0.00 O ATOM 749 CB GLU A 46 1.163 7.167 0.502 1.00 0.00 C ATOM 750 CG GLU A 46 2.267 8.157 0.220 1.00 0.00 C ATOM 751 CD GLU A 46 1.830 9.557 0.519 1.00 0.00 C ATOM 752 OE1 GLU A 46 1.160 10.181 -0.332 1.00 0.00 O ATOM 753 OE2 GLU A 46 2.126 10.055 1.637 1.00 0.00 O ATOM 0 H GLU A 46 -0.451 5.387 0.978 1.00 0.00 H new ATOM 0 HA GLU A 46 1.912 5.505 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.339 7.366 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.790 7.346 1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.142 7.910 0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.567 8.083 -0.825 1.00 0.00 H new ATOM 760 N ALA A 47 2.175 5.201 2.679 1.00 0.00 N ATOM 761 CA ALA A 47 3.041 4.870 3.823 1.00 0.00 C ATOM 762 C ALA A 47 3.796 3.599 3.565 1.00 0.00 C ATOM 763 O ALA A 47 4.910 3.434 4.019 1.00 0.00 O ATOM 764 CB ALA A 47 2.215 4.727 5.087 1.00 0.00 C ATOM 0 H ALA A 47 1.191 5.288 2.932 1.00 0.00 H new ATOM 0 HA ALA A 47 3.755 5.683 3.954 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.869 4.482 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.699 5.665 5.292 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.482 3.931 4.955 1.00 0.00 H new ATOM 770 N LEU A 48 3.160 2.727 2.826 1.00 0.00 N ATOM 771 CA LEU A 48 3.722 1.473 2.383 1.00 0.00 C ATOM 772 C LEU A 48 5.103 1.633 1.693 1.00 0.00 C ATOM 773 O LEU A 48 5.955 0.749 1.816 1.00 0.00 O ATOM 774 CB LEU A 48 2.653 0.747 1.519 1.00 0.00 C ATOM 775 CG LEU A 48 3.075 -0.342 0.523 1.00 0.00 C ATOM 776 CD1 LEU A 48 1.875 -1.210 0.216 1.00 0.00 C ATOM 777 CD2 LEU A 48 3.547 0.294 -0.787 1.00 0.00 C ATOM 0 H LEU A 48 2.203 2.874 2.504 1.00 0.00 H new ATOM 0 HA LEU A 48 3.954 0.847 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.935 0.297 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.120 1.512 0.955 1.00 0.00 H new ATOM 0 HG LEU A 48 3.884 -0.928 0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.161 -1.989 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.514 -1.670 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.085 -0.598 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.844 -0.489 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.736 0.879 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.398 0.945 -0.589 1.00 0.00 H new ATOM 789 N GLU A 49 5.330 2.751 0.992 1.00 0.00 N ATOM 790 CA GLU A 49 6.618 2.944 0.351 1.00 0.00 C ATOM 791 C GLU A 49 7.257 4.333 0.621 1.00 0.00 C ATOM 792 O GLU A 49 7.947 4.529 1.628 1.00 0.00 O ATOM 793 CB GLU A 49 6.550 2.590 -1.163 1.00 0.00 C ATOM 794 CG GLU A 49 7.845 2.795 -1.952 1.00 0.00 C ATOM 795 CD GLU A 49 9.039 2.114 -1.331 1.00 0.00 C ATOM 796 OE1 GLU A 49 9.219 0.886 -1.512 1.00 0.00 O ATOM 797 OE2 GLU A 49 9.797 2.786 -0.617 1.00 0.00 O ATOM 0 H GLU A 49 4.658 3.507 0.862 1.00 0.00 H new ATOM 0 HA GLU A 49 7.303 2.239 0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.248 1.547 -1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.767 3.192 -1.623 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.708 2.418 -2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.047 3.863 -2.034 1.00 0.00 H new ATOM 804 N THR A 50 6.942 5.314 -0.206 1.00 0.00 N ATOM 805 CA THR A 50 7.676 6.579 -0.201 1.00 0.00 C ATOM 806 C THR A 50 6.917 7.631 0.601 1.00 0.00 C ATOM 807 O THR A 50 7.227 8.831 0.570 1.00 0.00 O ATOM 808 CB THR A 50 7.880 7.063 -1.656 1.00 0.00 C ATOM 809 OG1 THR A 50 8.226 5.940 -2.470 1.00 0.00 O ATOM 810 CG2 THR A 50 9.016 8.077 -1.752 1.00 0.00 C ATOM 0 H THR A 50 6.186 5.265 -0.890 1.00 0.00 H new ATOM 0 HA THR A 50 8.648 6.425 0.267 1.00 0.00 H new ATOM 0 HB THR A 50 6.955 7.533 -1.990 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.433 5.631 -2.956 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.132 8.396 -2.788 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.786 8.942 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.943 7.619 -1.407 1.00 0.00 H new ATOM 818 N GLY A 51 5.924 7.184 1.296 1.00 0.00 N ATOM 819 CA GLY A 51 5.180 8.058 2.123 1.00 0.00 C ATOM 820 C GLY A 51 5.791 8.154 3.465 1.00 0.00 C ATOM 821 O GLY A 51 6.946 8.552 3.621 1.00 0.00 O ATOM 0 H GLY A 51 5.612 6.213 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.134 9.047 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.154 7.699 2.210 1.00 0.00 H new ATOM 825 N CYS A 52 5.044 7.781 4.423 1.00 0.00 N ATOM 826 CA CYS A 52 5.518 7.791 5.758 1.00 0.00 C ATOM 827 C CYS A 52 5.004 6.584 6.535 1.00 0.00 C ATOM 828 O CYS A 52 3.873 6.592 7.056 1.00 0.00 O ATOM 829 CB CYS A 52 5.171 9.108 6.445 1.00 0.00 C ATOM 830 SG CYS A 52 5.647 9.208 8.199 1.00 0.00 S ATOM 0 H CYS A 52 4.083 7.458 4.312 1.00 0.00 H new ATOM 0 HA CYS A 52 6.605 7.713 5.737 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.656 9.921 5.905 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.096 9.270 6.366 1.00 0.00 H new ATOM 835 N GLU A 53 5.815 5.542 6.588 1.00 0.00 N ATOM 836 CA GLU A 53 5.448 4.296 7.261 1.00 0.00 C ATOM 837 C GLU A 53 5.541 4.439 8.770 1.00 0.00 C ATOM 838 O GLU A 53 4.829 3.797 9.505 1.00 0.00 O ATOM 839 CB GLU A 53 6.330 3.129 6.780 1.00 0.00 C ATOM 840 CG GLU A 53 7.815 3.340 7.002 1.00 0.00 C ATOM 841 CD GLU A 53 8.658 2.179 6.557 1.00 0.00 C ATOM 842 OE1 GLU A 53 8.796 1.207 7.319 1.00 0.00 O ATOM 843 OE2 GLU A 53 9.256 2.238 5.458 1.00 0.00 O ATOM 0 H GLU A 53 6.745 5.530 6.169 1.00 0.00 H new ATOM 0 HA GLU A 53 4.412 4.076 7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.023 2.219 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.152 2.968 5.717 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.131 4.235 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.994 3.524 8.062 1.00 0.00 H new ATOM 850 N LYS A 54 6.390 5.325 9.218 1.00 0.00 N ATOM 851 CA LYS A 54 6.621 5.478 10.638 1.00 0.00 C ATOM 852 C LYS A 54 5.779 6.599 11.256 1.00 0.00 C ATOM 853 O LYS A 54 6.058 7.043 12.367 1.00 0.00 O ATOM 854 CB LYS A 54 8.147 5.630 10.923 1.00 0.00 C ATOM 855 CG LYS A 54 8.891 6.783 10.188 1.00 0.00 C ATOM 856 CD LYS A 54 8.548 8.177 10.723 1.00 0.00 C ATOM 857 CE LYS A 54 8.967 8.333 12.181 1.00 0.00 C ATOM 858 NZ LYS A 54 8.579 9.634 12.746 1.00 0.00 N ATOM 0 H LYS A 54 6.934 5.952 8.626 1.00 0.00 H new ATOM 0 HA LYS A 54 6.283 4.569 11.135 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.279 5.771 11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.636 4.691 10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.966 6.624 10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.648 6.741 9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.046 8.934 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.476 8.350 10.631 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.516 7.536 12.772 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.048 8.215 12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.887 9.688 13.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.029 10.397 12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.545 9.739 12.699 1.00 0.00 H new ATOM 872 N CYS A 55 4.742 7.020 10.553 1.00 0.00 N ATOM 873 CA CYS A 55 3.903 8.125 11.013 1.00 0.00 C ATOM 874 C CYS A 55 2.993 7.815 12.212 1.00 0.00 C ATOM 875 O CYS A 55 3.468 7.694 13.337 1.00 0.00 O ATOM 876 CB CYS A 55 3.144 8.801 9.877 1.00 0.00 C ATOM 877 SG CYS A 55 4.063 10.138 9.042 1.00 0.00 S ATOM 0 H CYS A 55 4.457 6.617 9.661 1.00 0.00 H new ATOM 0 HA CYS A 55 4.624 8.843 11.404 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.874 8.047 9.138 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.213 9.209 10.271 1.00 0.00 H new ATOM 882 N THR A 56 1.711 7.679 11.983 1.00 0.00 N ATOM 883 CA THR A 56 0.784 7.463 13.059 1.00 0.00 C ATOM 884 C THR A 56 0.502 5.994 13.205 1.00 0.00 C ATOM 885 O THR A 56 0.898 5.224 12.342 1.00 0.00 O ATOM 886 CB THR A 56 -0.513 8.228 12.795 1.00 0.00 C ATOM 887 OG1 THR A 56 -0.941 7.979 11.437 1.00 0.00 O ATOM 888 CG2 THR A 56 -0.325 9.724 13.015 1.00 0.00 C ATOM 0 H THR A 56 1.287 7.715 11.056 1.00 0.00 H new ATOM 0 HA THR A 56 1.223 7.830 13.986 1.00 0.00 H new ATOM 0 HB THR A 56 -1.273 7.880 13.495 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.773 8.466 11.262 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.264 10.241 12.820 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.019 9.905 14.045 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.443 10.098 12.338 1.00 0.00 H new ATOM 896 N GLU A 57 -0.198 5.622 14.264 1.00 0.00 N ATOM 897 CA GLU A 57 -0.547 4.226 14.551 1.00 0.00 C ATOM 898 C GLU A 57 -1.251 3.566 13.354 1.00 0.00 C ATOM 899 O GLU A 57 -0.919 2.441 12.968 1.00 0.00 O ATOM 900 CB GLU A 57 -1.417 4.106 15.838 1.00 0.00 C ATOM 901 CG GLU A 57 -2.844 4.693 15.766 1.00 0.00 C ATOM 902 CD GLU A 57 -2.887 6.170 15.472 1.00 0.00 C ATOM 903 OE1 GLU A 57 -2.802 6.979 16.416 1.00 0.00 O ATOM 904 OE2 GLU A 57 -2.978 6.557 14.288 1.00 0.00 O ATOM 0 H GLU A 57 -0.547 6.281 14.960 1.00 0.00 H new ATOM 0 HA GLU A 57 0.387 3.692 14.729 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.496 3.051 16.099 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.887 4.597 16.654 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.405 4.164 14.996 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.350 4.507 16.713 1.00 0.00 H new ATOM 911 N ALA A 58 -2.188 4.293 12.759 1.00 0.00 N ATOM 912 CA ALA A 58 -2.930 3.812 11.615 1.00 0.00 C ATOM 913 C ALA A 58 -2.027 3.655 10.403 1.00 0.00 C ATOM 914 O ALA A 58 -2.121 2.673 9.686 1.00 0.00 O ATOM 915 CB ALA A 58 -4.095 4.731 11.302 1.00 0.00 C ATOM 0 H ALA A 58 -2.450 5.231 13.060 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.329 2.829 11.865 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.638 4.349 10.438 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.765 4.775 12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.721 5.731 11.082 1.00 0.00 H new ATOM 921 N GLN A 59 -1.126 4.608 10.192 1.00 0.00 N ATOM 922 CA GLN A 59 -0.235 4.514 9.060 1.00 0.00 C ATOM 923 C GLN A 59 0.833 3.473 9.258 1.00 0.00 C ATOM 924 O GLN A 59 1.128 2.751 8.340 1.00 0.00 O ATOM 925 CB GLN A 59 0.365 5.847 8.620 1.00 0.00 C ATOM 926 CG GLN A 59 -0.631 6.773 7.942 1.00 0.00 C ATOM 927 CD GLN A 59 0.025 7.961 7.251 1.00 0.00 C ATOM 928 OE1 GLN A 59 -0.563 9.038 7.141 1.00 0.00 O ATOM 929 NE2 GLN A 59 1.234 7.791 6.775 1.00 0.00 N ATOM 0 H GLN A 59 -1.000 5.433 10.779 1.00 0.00 H new ATOM 0 HA GLN A 59 -0.872 4.191 8.237 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.782 6.352 9.491 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.192 5.655 7.936 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.203 6.205 7.208 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.340 7.139 8.685 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.701 6.890 6.878 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.708 8.560 6.301 1.00 0.00 H new ATOM 938 N GLU A 60 1.411 3.394 10.448 1.00 0.00 N ATOM 939 CA GLU A 60 2.422 2.372 10.707 1.00 0.00 C ATOM 940 C GLU A 60 1.855 0.956 10.598 1.00 0.00 C ATOM 941 O GLU A 60 2.347 0.170 9.806 1.00 0.00 O ATOM 942 CB GLU A 60 3.191 2.575 12.027 1.00 0.00 C ATOM 943 CG GLU A 60 2.337 2.646 13.264 1.00 0.00 C ATOM 944 CD GLU A 60 3.144 2.645 14.518 1.00 0.00 C ATOM 945 OE1 GLU A 60 3.834 3.625 14.800 1.00 0.00 O ATOM 946 OE2 GLU A 60 3.089 1.656 15.263 1.00 0.00 O ATOM 0 H GLU A 60 1.206 4.009 11.235 1.00 0.00 H new ATOM 0 HA GLU A 60 3.158 2.496 9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.903 1.758 12.143 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.771 3.495 11.953 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.728 3.549 13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.651 1.799 13.277 1.00 0.00 H new ATOM 953 N LYS A 61 0.776 0.651 11.344 1.00 0.00 N ATOM 954 CA LYS A 61 0.167 -0.697 11.314 1.00 0.00 C ATOM 955 C LYS A 61 -0.420 -0.988 9.958 1.00 0.00 C ATOM 956 O LYS A 61 -0.424 -2.139 9.472 1.00 0.00 O ATOM 957 CB LYS A 61 -0.910 -0.851 12.386 1.00 0.00 C ATOM 958 CG LYS A 61 -0.369 -0.889 13.804 1.00 0.00 C ATOM 959 CD LYS A 61 -1.480 -1.054 14.841 1.00 0.00 C ATOM 960 CE LYS A 61 -2.302 -2.336 14.635 1.00 0.00 C ATOM 961 NZ LYS A 61 -1.481 -3.573 14.713 1.00 0.00 N ATOM 0 H LYS A 61 0.311 1.310 11.969 1.00 0.00 H new ATOM 0 HA LYS A 61 0.961 -1.414 11.521 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.615 -0.024 12.299 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.468 -1.768 12.196 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.340 -1.712 13.899 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.181 0.030 14.006 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.041 -1.066 15.838 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.144 -0.191 14.796 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.089 -2.381 15.388 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.793 -2.294 13.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.097 -4.405 14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.778 -3.572 13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.992 -3.608 15.630 1.00 0.00 H new ATOM 975 N GLY A 62 -0.850 0.060 9.331 1.00 0.00 N ATOM 976 CA GLY A 62 -1.449 -0.022 8.042 1.00 0.00 C ATOM 977 C GLY A 62 -0.415 -0.338 7.023 1.00 0.00 C ATOM 978 O GLY A 62 -0.636 -1.163 6.125 1.00 0.00 O ATOM 0 H GLY A 62 -0.793 1.007 9.706 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.222 -0.791 8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.937 0.922 7.797 1.00 0.00 H new ATOM 982 N ALA A 63 0.732 0.298 7.169 1.00 0.00 N ATOM 983 CA ALA A 63 1.854 0.055 6.322 1.00 0.00 C ATOM 984 C ALA A 63 2.305 -1.365 6.490 1.00 0.00 C ATOM 985 O ALA A 63 2.484 -2.032 5.524 1.00 0.00 O ATOM 986 CB ALA A 63 3.000 1.016 6.611 1.00 0.00 C ATOM 0 H ALA A 63 0.899 1.001 7.889 1.00 0.00 H new ATOM 0 HA ALA A 63 1.547 0.223 5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.835 0.798 5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.665 2.041 6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.321 0.898 7.646 1.00 0.00 H new ATOM 992 N GLU A 64 2.419 -1.834 7.743 1.00 0.00 N ATOM 993 CA GLU A 64 2.856 -3.220 8.041 1.00 0.00 C ATOM 994 C GLU A 64 2.051 -4.230 7.217 1.00 0.00 C ATOM 995 O GLU A 64 2.609 -4.998 6.427 1.00 0.00 O ATOM 996 CB GLU A 64 2.657 -3.570 9.522 1.00 0.00 C ATOM 997 CG GLU A 64 3.225 -2.584 10.509 1.00 0.00 C ATOM 998 CD GLU A 64 3.270 -3.146 11.909 1.00 0.00 C ATOM 999 OE1 GLU A 64 2.243 -3.132 12.614 1.00 0.00 O ATOM 1000 OE2 GLU A 64 4.326 -3.662 12.308 1.00 0.00 O ATOM 0 H GLU A 64 2.215 -1.277 8.573 1.00 0.00 H new ATOM 0 HA GLU A 64 3.915 -3.272 7.789 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.588 -3.671 9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.108 -4.544 9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.231 -2.301 10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.622 -1.676 10.502 1.00 0.00 H new ATOM 1007 N THR A 65 0.745 -4.159 7.385 1.00 0.00 N ATOM 1008 CA THR A 65 -0.210 -5.036 6.728 1.00 0.00 C ATOM 1009 C THR A 65 -0.081 -4.940 5.188 1.00 0.00 C ATOM 1010 O THR A 65 -0.026 -5.977 4.452 1.00 0.00 O ATOM 1011 CB THR A 65 -1.634 -4.611 7.178 1.00 0.00 C ATOM 1012 OG1 THR A 65 -1.635 -4.366 8.601 1.00 0.00 O ATOM 1013 CG2 THR A 65 -2.638 -5.702 6.907 1.00 0.00 C ATOM 0 H THR A 65 0.305 -3.472 7.998 1.00 0.00 H new ATOM 0 HA THR A 65 -0.015 -6.072 7.007 1.00 0.00 H new ATOM 0 HB THR A 65 -1.905 -3.715 6.620 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.432 -3.422 8.771 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.626 -5.376 7.232 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.661 -5.918 5.839 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.354 -6.601 7.454 1.00 0.00 H new ATOM 1021 N SER A 66 0.010 -3.728 4.712 1.00 0.00 N ATOM 1022 CA SER A 66 0.080 -3.476 3.313 1.00 0.00 C ATOM 1023 C SER A 66 1.410 -3.937 2.682 1.00 0.00 C ATOM 1024 O SER A 66 1.413 -4.609 1.669 1.00 0.00 O ATOM 1025 CB SER A 66 -0.248 -2.026 3.041 1.00 0.00 C ATOM 1026 OG SER A 66 -1.513 -1.721 3.629 1.00 0.00 O ATOM 0 H SER A 66 0.037 -2.890 5.292 1.00 0.00 H new ATOM 0 HA SER A 66 -0.673 -4.087 2.815 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.526 -1.380 3.455 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.277 -1.841 1.967 1.00 0.00 H new ATOM 0 HG SER A 66 -1.387 -1.487 4.572 1.00 0.00 H new ATOM 1032 N ILE A 67 2.504 -3.635 3.317 1.00 0.00 N ATOM 1033 CA ILE A 67 3.825 -4.018 2.844 1.00 0.00 C ATOM 1034 C ILE A 67 3.944 -5.546 2.796 1.00 0.00 C ATOM 1035 O ILE A 67 4.516 -6.104 1.848 1.00 0.00 O ATOM 1036 CB ILE A 67 4.923 -3.420 3.768 1.00 0.00 C ATOM 1037 CG1 ILE A 67 4.881 -1.885 3.719 1.00 0.00 C ATOM 1038 CG2 ILE A 67 6.300 -3.915 3.352 1.00 0.00 C ATOM 1039 CD1 ILE A 67 5.588 -1.208 4.882 1.00 0.00 C ATOM 0 H ILE A 67 2.517 -3.109 4.191 1.00 0.00 H new ATOM 0 HA ILE A 67 3.966 -3.623 1.838 1.00 0.00 H new ATOM 0 HB ILE A 67 4.728 -3.748 4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.335 -1.549 2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.840 -1.561 3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.055 -3.486 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.333 -5.002 3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.500 -3.612 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.513 -0.126 4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.121 -1.512 5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.638 -1.500 4.889 1.00 0.00 H new ATOM 1051 N ASP A 68 3.350 -6.203 3.792 1.00 0.00 N ATOM 1052 CA ASP A 68 3.365 -7.662 3.894 1.00 0.00 C ATOM 1053 C ASP A 68 2.775 -8.300 2.643 1.00 0.00 C ATOM 1054 O ASP A 68 3.486 -9.015 1.901 1.00 0.00 O ATOM 1055 CB ASP A 68 2.569 -8.125 5.140 1.00 0.00 C ATOM 1056 CG ASP A 68 2.512 -9.648 5.324 1.00 0.00 C ATOM 1057 OD1 ASP A 68 1.686 -10.319 4.680 1.00 0.00 O ATOM 1058 OD2 ASP A 68 3.283 -10.202 6.140 1.00 0.00 O ATOM 0 H ASP A 68 2.846 -5.740 4.549 1.00 0.00 H new ATOM 0 HA ASP A 68 4.403 -7.981 3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.017 -7.680 6.029 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.551 -7.741 5.070 1.00 0.00 H new ATOM 1063 N TYR A 69 1.520 -7.964 2.318 1.00 0.00 N ATOM 1064 CA TYR A 69 0.902 -8.641 1.184 1.00 0.00 C ATOM 1065 C TYR A 69 1.423 -8.100 -0.145 1.00 0.00 C ATOM 1066 O TYR A 69 1.451 -8.822 -1.154 1.00 0.00 O ATOM 1067 CB TYR A 69 -0.637 -8.651 1.226 1.00 0.00 C ATOM 1068 CG TYR A 69 -1.184 -9.999 0.857 1.00 0.00 C ATOM 1069 CD1 TYR A 69 -1.278 -10.410 -0.463 1.00 0.00 C ATOM 1070 CD2 TYR A 69 -1.580 -10.877 1.845 1.00 0.00 C ATOM 1071 CE1 TYR A 69 -1.754 -11.667 -0.776 1.00 0.00 C ATOM 1072 CE2 TYR A 69 -2.057 -12.123 1.544 1.00 0.00 C ATOM 1073 CZ TYR A 69 -2.140 -12.516 0.235 1.00 0.00 C ATOM 1074 OH TYR A 69 -2.629 -13.766 -0.060 1.00 0.00 O ATOM 0 H TYR A 69 0.945 -7.269 2.795 1.00 0.00 H new ATOM 0 HA TYR A 69 1.203 -9.685 1.268 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.977 -8.379 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.027 -7.898 0.541 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.976 -9.740 -1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.512 -10.574 2.879 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.823 -11.982 -1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.366 -12.792 2.333 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.418 -13.947 0.492 1.00 0.00 H new ATOM 1084 N LEU A 70 1.863 -6.853 -0.132 1.00 0.00 N ATOM 1085 CA LEU A 70 2.417 -6.210 -1.300 1.00 0.00 C ATOM 1086 C LEU A 70 3.619 -6.981 -1.823 1.00 0.00 C ATOM 1087 O LEU A 70 3.646 -7.402 -2.959 1.00 0.00 O ATOM 1088 CB LEU A 70 2.883 -4.815 -0.956 1.00 0.00 C ATOM 1089 CG LEU A 70 3.452 -4.028 -2.112 1.00 0.00 C ATOM 1090 CD1 LEU A 70 2.359 -3.411 -2.977 1.00 0.00 C ATOM 1091 CD2 LEU A 70 4.481 -3.025 -1.642 1.00 0.00 C ATOM 0 H LEU A 70 1.843 -6.259 0.697 1.00 0.00 H new ATOM 0 HA LEU A 70 1.634 -6.179 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.043 -4.261 -0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.640 -4.884 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 70 3.980 -4.726 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.814 -2.854 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.727 -4.201 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.754 -2.736 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.871 -2.475 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.017 -2.328 -0.944 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.298 -3.548 -1.144 1.00 0.00 H new ATOM 1103 N ILE A 71 4.595 -7.180 -0.966 1.00 0.00 N ATOM 1104 CA ILE A 71 5.828 -7.841 -1.358 1.00 0.00 C ATOM 1105 C ILE A 71 5.572 -9.317 -1.682 1.00 0.00 C ATOM 1106 O ILE A 71 6.233 -9.907 -2.547 1.00 0.00 O ATOM 1107 CB ILE A 71 6.922 -7.663 -0.266 1.00 0.00 C ATOM 1108 CG1 ILE A 71 7.162 -6.159 -0.051 1.00 0.00 C ATOM 1109 CG2 ILE A 71 8.225 -8.366 -0.657 1.00 0.00 C ATOM 1110 CD1 ILE A 71 8.221 -5.824 0.967 1.00 0.00 C ATOM 0 H ILE A 71 4.562 -6.894 0.012 1.00 0.00 H new ATOM 0 HA ILE A 71 6.202 -7.370 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 71 6.577 -8.122 0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.441 -5.711 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.224 -5.697 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.967 -8.221 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.038 -9.432 -0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.599 -7.946 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.318 -4.741 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.938 -6.237 1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.174 -6.251 0.655 1.00 0.00 H new ATOM 1122 N LYS A 72 4.582 -9.889 -1.026 1.00 0.00 N ATOM 1123 CA LYS A 72 4.211 -11.266 -1.283 1.00 0.00 C ATOM 1124 C LYS A 72 3.572 -11.461 -2.657 1.00 0.00 C ATOM 1125 O LYS A 72 4.100 -12.196 -3.498 1.00 0.00 O ATOM 1126 CB LYS A 72 3.271 -11.776 -0.204 1.00 0.00 C ATOM 1127 CG LYS A 72 3.935 -11.986 1.122 1.00 0.00 C ATOM 1128 CD LYS A 72 2.906 -12.208 2.220 1.00 0.00 C ATOM 1129 CE LYS A 72 3.495 -12.848 3.460 1.00 0.00 C ATOM 1130 NZ LYS A 72 2.521 -12.866 4.569 1.00 0.00 N ATOM 0 H LYS A 72 4.021 -9.423 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 72 5.136 -11.843 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.453 -11.066 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.831 -12.717 -0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.603 -12.846 1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.550 -11.120 1.365 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.457 -11.252 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.104 -12.840 1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.808 -13.867 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.387 -12.301 3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.028 -12.830 5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.891 -12.042 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.957 -13.738 4.522 1.00 0.00 H new ATOM 1144 N ASN A 73 2.471 -10.793 -2.906 1.00 0.00 N ATOM 1145 CA ASN A 73 1.705 -11.087 -4.110 1.00 0.00 C ATOM 1146 C ASN A 73 1.662 -9.925 -5.080 1.00 0.00 C ATOM 1147 O ASN A 73 1.723 -10.124 -6.296 1.00 0.00 O ATOM 1148 CB ASN A 73 0.277 -11.506 -3.715 1.00 0.00 C ATOM 1149 CG ASN A 73 -0.497 -12.183 -4.834 1.00 0.00 C ATOM 1150 OD1 ASN A 73 -0.358 -13.387 -5.024 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -1.363 -11.479 -5.523 1.00 0.00 N ATOM 0 H ASN A 73 2.086 -10.058 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 73 2.209 -11.903 -4.628 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.330 -12.183 -2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.273 -10.623 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.938 -11.932 -6.234 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.462 -10.479 -5.348 1.00 0.00 H new ATOM 1158 N GLU A 74 1.651 -8.730 -4.556 1.00 0.00 N ATOM 1159 CA GLU A 74 1.398 -7.540 -5.380 1.00 0.00 C ATOM 1160 C GLU A 74 2.697 -6.783 -5.730 1.00 0.00 C ATOM 1161 O GLU A 74 2.826 -5.566 -5.511 1.00 0.00 O ATOM 1162 CB GLU A 74 0.397 -6.625 -4.665 1.00 0.00 C ATOM 1163 CG GLU A 74 -0.917 -7.311 -4.269 1.00 0.00 C ATOM 1164 CD GLU A 74 -1.611 -7.976 -5.440 1.00 0.00 C ATOM 1165 OE1 GLU A 74 -1.481 -7.486 -6.564 1.00 0.00 O ATOM 1166 OE2 GLU A 74 -2.259 -9.031 -5.259 1.00 0.00 O ATOM 0 H GLU A 74 1.812 -8.536 -3.568 1.00 0.00 H new ATOM 0 HA GLU A 74 0.971 -7.868 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.868 -6.223 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.170 -5.778 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.714 -8.058 -3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.587 -6.574 -3.827 1.00 0.00 H new ATOM 1173 N LEU A 75 3.631 -7.500 -6.324 1.00 0.00 N ATOM 1174 CA LEU A 75 4.959 -6.968 -6.641 1.00 0.00 C ATOM 1175 C LEU A 75 4.909 -5.851 -7.707 1.00 0.00 C ATOM 1176 O LEU A 75 5.645 -4.860 -7.628 1.00 0.00 O ATOM 1177 CB LEU A 75 5.881 -8.099 -7.108 1.00 0.00 C ATOM 1178 CG LEU A 75 7.323 -7.696 -7.453 1.00 0.00 C ATOM 1179 CD1 LEU A 75 8.060 -7.184 -6.224 1.00 0.00 C ATOM 1180 CD2 LEU A 75 8.063 -8.860 -8.081 1.00 0.00 C ATOM 0 H LEU A 75 3.498 -8.472 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 75 5.354 -6.524 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.915 -8.859 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.435 -8.564 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 75 7.283 -6.882 -8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.078 -6.907 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.541 -6.312 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.090 -7.966 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.083 -8.557 -8.319 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.087 -9.696 -7.382 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.553 -9.165 -8.994 1.00 0.00 H new ATOM 1192 N GLU A 76 4.027 -5.991 -8.665 1.00 0.00 N ATOM 1193 CA GLU A 76 3.910 -5.019 -9.738 1.00 0.00 C ATOM 1194 C GLU A 76 3.200 -3.781 -9.239 1.00 0.00 C ATOM 1195 O GLU A 76 3.387 -2.683 -9.760 1.00 0.00 O ATOM 1196 CB GLU A 76 3.218 -5.584 -11.005 1.00 0.00 C ATOM 1197 CG GLU A 76 1.806 -6.133 -10.809 1.00 0.00 C ATOM 1198 CD GLU A 76 1.780 -7.471 -10.123 1.00 0.00 C ATOM 1199 OE1 GLU A 76 1.892 -7.537 -8.899 1.00 0.00 O ATOM 1200 OE2 GLU A 76 1.630 -8.490 -10.808 1.00 0.00 O ATOM 0 H GLU A 76 3.373 -6.771 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 76 4.923 -4.758 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.178 -4.795 -11.756 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.842 -6.380 -11.412 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.224 -5.421 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.319 -6.221 -11.780 1.00 0.00 H new ATOM 1207 N ILE A 77 2.406 -3.962 -8.213 1.00 0.00 N ATOM 1208 CA ILE A 77 1.723 -2.866 -7.591 1.00 0.00 C ATOM 1209 C ILE A 77 2.755 -1.985 -6.906 1.00 0.00 C ATOM 1210 O ILE A 77 2.688 -0.760 -6.993 1.00 0.00 O ATOM 1211 CB ILE A 77 0.672 -3.371 -6.582 1.00 0.00 C ATOM 1212 CG1 ILE A 77 -0.364 -4.270 -7.294 1.00 0.00 C ATOM 1213 CG2 ILE A 77 -0.011 -2.206 -5.858 1.00 0.00 C ATOM 1214 CD1 ILE A 77 -1.184 -3.574 -8.370 1.00 0.00 C ATOM 0 H ILE A 77 2.218 -4.871 -7.790 1.00 0.00 H new ATOM 0 HA ILE A 77 1.190 -2.289 -8.346 1.00 0.00 H new ATOM 0 HB ILE A 77 1.183 -3.967 -5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.158 -5.114 -7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.044 -4.678 -6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.746 -2.596 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.736 -1.625 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.510 -1.567 -6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.882 -4.285 -8.812 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.739 -2.747 -7.927 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.519 -3.191 -9.143 1.00 0.00 H new ATOM 1226 N TRP A 78 3.747 -2.630 -6.272 1.00 0.00 N ATOM 1227 CA TRP A 78 4.866 -1.915 -5.664 1.00 0.00 C ATOM 1228 C TRP A 78 5.545 -1.054 -6.714 1.00 0.00 C ATOM 1229 O TRP A 78 5.758 0.136 -6.500 1.00 0.00 O ATOM 1230 CB TRP A 78 5.892 -2.889 -5.039 1.00 0.00 C ATOM 1231 CG TRP A 78 7.144 -2.198 -4.543 1.00 0.00 C ATOM 1232 CD1 TRP A 78 7.271 -1.428 -3.422 1.00 0.00 C ATOM 1233 CD2 TRP A 78 8.442 -2.210 -5.166 1.00 0.00 C ATOM 1234 NE1 TRP A 78 8.554 -0.952 -3.320 1.00 0.00 N ATOM 1235 CE2 TRP A 78 9.294 -1.421 -4.368 1.00 0.00 C ATOM 1236 CE3 TRP A 78 8.964 -2.812 -6.316 1.00 0.00 C ATOM 1237 CZ2 TRP A 78 10.632 -1.213 -4.684 1.00 0.00 C ATOM 1238 CZ3 TRP A 78 10.295 -2.603 -6.627 1.00 0.00 C ATOM 1239 CH2 TRP A 78 11.113 -1.814 -5.811 1.00 0.00 C ATOM 0 H TRP A 78 3.792 -3.644 -6.170 1.00 0.00 H new ATOM 0 HA TRP A 78 4.474 -1.287 -4.864 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.423 -3.417 -4.209 1.00 0.00 H new ATOM 0 HB3 TRP A 78 6.168 -3.640 -5.779 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.477 -1.224 -2.719 1.00 0.00 H new ATOM 0 HE1 TRP A 78 8.901 -0.344 -2.578 1.00 0.00 H new ATOM 0 HE3 TRP A 78 8.340 -3.427 -6.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 11.266 -0.599 -4.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 10.710 -3.057 -7.515 1.00 0.00 H new ATOM 0 HH2 TRP A 78 12.150 -1.677 -6.079 1.00 0.00 H new ATOM 1250 N LYS A 79 5.820 -1.663 -7.872 1.00 0.00 N ATOM 1251 CA LYS A 79 6.476 -0.981 -8.981 1.00 0.00 C ATOM 1252 C LYS A 79 5.778 0.331 -9.331 1.00 0.00 C ATOM 1253 O LYS A 79 6.442 1.345 -9.489 1.00 0.00 O ATOM 1254 CB LYS A 79 6.559 -1.880 -10.222 1.00 0.00 C ATOM 1255 CG LYS A 79 7.473 -3.097 -10.073 1.00 0.00 C ATOM 1256 CD LYS A 79 7.403 -4.018 -11.298 1.00 0.00 C ATOM 1257 CE LYS A 79 7.881 -3.342 -12.590 1.00 0.00 C ATOM 1258 NZ LYS A 79 9.331 -3.032 -12.582 1.00 0.00 N ATOM 0 H LYS A 79 5.593 -2.639 -8.062 1.00 0.00 H new ATOM 0 HA LYS A 79 7.489 -0.750 -8.652 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.556 -2.225 -10.471 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.908 -1.282 -11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.501 -2.764 -9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.190 -3.657 -9.181 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.010 -4.904 -11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.376 -4.357 -11.431 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.659 -3.992 -13.437 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.319 -2.420 -12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.594 -2.577 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.544 -2.389 -11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.873 -3.912 -12.468 1.00 0.00 H new ATOM 1272 N GLU A 80 4.448 0.313 -9.395 1.00 0.00 N ATOM 1273 CA GLU A 80 3.679 1.505 -9.742 1.00 0.00 C ATOM 1274 C GLU A 80 3.760 2.612 -8.693 1.00 0.00 C ATOM 1275 O GLU A 80 3.977 3.775 -9.042 1.00 0.00 O ATOM 1276 CB GLU A 80 2.226 1.182 -10.080 1.00 0.00 C ATOM 1277 CG GLU A 80 2.071 0.428 -11.381 1.00 0.00 C ATOM 1278 CD GLU A 80 0.637 0.300 -11.826 1.00 0.00 C ATOM 1279 OE1 GLU A 80 -0.098 1.313 -11.827 1.00 0.00 O ATOM 1280 OE2 GLU A 80 0.220 -0.807 -12.217 1.00 0.00 O ATOM 0 H GLU A 80 3.881 -0.515 -9.211 1.00 0.00 H new ATOM 0 HA GLU A 80 4.156 1.893 -10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.794 0.592 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.658 2.110 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.642 0.936 -12.158 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.500 -0.568 -11.270 1.00 0.00 H new ATOM 1287 N LEU A 81 3.606 2.267 -7.421 1.00 0.00 N ATOM 1288 CA LEU A 81 3.672 3.281 -6.356 1.00 0.00 C ATOM 1289 C LEU A 81 5.055 3.882 -6.280 1.00 0.00 C ATOM 1290 O LEU A 81 5.216 5.105 -6.296 1.00 0.00 O ATOM 1291 CB LEU A 81 3.256 2.738 -4.973 1.00 0.00 C ATOM 1292 CG LEU A 81 1.750 2.540 -4.689 1.00 0.00 C ATOM 1293 CD1 LEU A 81 1.000 3.864 -4.721 1.00 0.00 C ATOM 1294 CD2 LEU A 81 1.095 1.546 -5.632 1.00 0.00 C ATOM 0 H LEU A 81 3.437 1.315 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 81 2.950 4.052 -6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.751 1.777 -4.830 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.651 3.416 -4.217 1.00 0.00 H new ATOM 0 HG LEU A 81 1.689 2.122 -3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.056 3.689 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.410 4.533 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.109 4.320 -5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.038 1.450 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.195 1.898 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.581 0.575 -5.533 1.00 0.00 H new ATOM 1306 N THR A 82 6.035 3.029 -6.232 1.00 0.00 N ATOM 1307 CA THR A 82 7.414 3.442 -6.187 1.00 0.00 C ATOM 1308 C THR A 82 7.791 4.258 -7.420 1.00 0.00 C ATOM 1309 O THR A 82 8.381 5.299 -7.284 1.00 0.00 O ATOM 1310 CB THR A 82 8.323 2.223 -5.991 1.00 0.00 C ATOM 1311 OG1 THR A 82 7.759 1.449 -4.931 1.00 0.00 O ATOM 1312 CG2 THR A 82 9.730 2.642 -5.591 1.00 0.00 C ATOM 0 H THR A 82 5.903 2.018 -6.223 1.00 0.00 H new ATOM 0 HA THR A 82 7.556 4.101 -5.330 1.00 0.00 H new ATOM 0 HB THR A 82 8.390 1.661 -6.923 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.313 0.656 -4.775 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.350 1.755 -5.460 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.158 3.272 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.691 3.200 -4.655 1.00 0.00 H new ATOM 1320 N ALA A 83 7.364 3.844 -8.605 1.00 0.00 N ATOM 1321 CA ALA A 83 7.676 4.603 -9.821 1.00 0.00 C ATOM 1322 C ALA A 83 6.977 5.961 -9.820 1.00 0.00 C ATOM 1323 O ALA A 83 7.430 6.902 -10.459 1.00 0.00 O ATOM 1324 CB ALA A 83 7.302 3.823 -11.075 1.00 0.00 C ATOM 0 H ALA A 83 6.809 3.002 -8.756 1.00 0.00 H new ATOM 0 HA ALA A 83 8.753 4.768 -9.829 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.546 4.414 -11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.859 2.886 -11.100 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.233 3.610 -11.066 1.00 0.00 H new ATOM 1330 N HIS A 84 5.895 6.059 -9.092 1.00 0.00 N ATOM 1331 CA HIS A 84 5.135 7.282 -9.028 1.00 0.00 C ATOM 1332 C HIS A 84 5.712 8.245 -7.976 1.00 0.00 C ATOM 1333 O HIS A 84 5.545 9.447 -8.086 1.00 0.00 O ATOM 1334 CB HIS A 84 3.644 6.972 -8.748 1.00 0.00 C ATOM 1335 CG HIS A 84 2.733 8.170 -8.777 1.00 0.00 C ATOM 1336 ND1 HIS A 84 1.636 8.318 -7.950 1.00 0.00 N ATOM 1337 CD2 HIS A 84 2.758 9.274 -9.553 1.00 0.00 C ATOM 1338 CE1 HIS A 84 1.043 9.459 -8.216 1.00 0.00 C ATOM 1339 NE2 HIS A 84 1.707 10.054 -9.182 1.00 0.00 N ATOM 0 H HIS A 84 5.516 5.297 -8.529 1.00 0.00 H new ATOM 0 HA HIS A 84 5.206 7.780 -9.995 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.293 6.249 -9.484 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.564 6.496 -7.771 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.479 9.497 -10.326 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.161 9.843 -7.725 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.471 10.959 -9.590 1.00 0.00 H new ATOM 1348 N PHE A 85 6.384 7.723 -6.974 1.00 0.00 N ATOM 1349 CA PHE A 85 6.906 8.579 -5.915 1.00 0.00 C ATOM 1350 C PHE A 85 8.426 8.687 -5.916 1.00 0.00 C ATOM 1351 O PHE A 85 8.964 9.790 -5.914 1.00 0.00 O ATOM 1352 CB PHE A 85 6.372 8.174 -4.542 1.00 0.00 C ATOM 1353 CG PHE A 85 4.883 8.322 -4.412 1.00 0.00 C ATOM 1354 CD1 PHE A 85 4.296 9.576 -4.452 1.00 0.00 C ATOM 1355 CD2 PHE A 85 4.070 7.213 -4.270 1.00 0.00 C ATOM 1356 CE1 PHE A 85 2.931 9.718 -4.349 1.00 0.00 C ATOM 1357 CE2 PHE A 85 2.702 7.350 -4.169 1.00 0.00 C ATOM 1358 CZ PHE A 85 2.133 8.604 -4.208 1.00 0.00 C ATOM 0 H PHE A 85 6.583 6.729 -6.864 1.00 0.00 H new ATOM 0 HA PHE A 85 6.534 9.580 -6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.645 7.137 -4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.858 8.781 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.917 10.452 -4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.512 6.228 -4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.486 10.702 -4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.077 6.476 -4.059 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.062 8.714 -4.128 1.00 0.00 H new ATOM 1368 N ASP A 86 9.111 7.568 -5.934 1.00 0.00 N ATOM 1369 CA ASP A 86 10.570 7.561 -5.976 1.00 0.00 C ATOM 1370 C ASP A 86 11.018 6.544 -7.005 1.00 0.00 C ATOM 1371 O ASP A 86 11.283 5.372 -6.696 1.00 0.00 O ATOM 1372 CB ASP A 86 11.210 7.252 -4.619 1.00 0.00 C ATOM 1373 CG ASP A 86 12.714 7.432 -4.657 1.00 0.00 C ATOM 1374 OD1 ASP A 86 13.441 6.478 -4.996 1.00 0.00 O ATOM 1375 OD2 ASP A 86 13.187 8.558 -4.363 1.00 0.00 O ATOM 0 H ASP A 86 8.686 6.641 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 86 10.900 8.564 -6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.784 7.906 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.973 6.228 -4.329 1.00 0.00 H new ATOM 1380 N PRO A 87 11.061 6.948 -8.261 1.00 0.00 N ATOM 1381 CA PRO A 87 11.341 6.045 -9.358 1.00 0.00 C ATOM 1382 C PRO A 87 12.807 5.638 -9.454 1.00 0.00 C ATOM 1383 O PRO A 87 13.190 4.837 -10.313 1.00 0.00 O ATOM 1384 CB PRO A 87 10.847 6.804 -10.565 1.00 0.00 C ATOM 1385 CG PRO A 87 11.067 8.233 -10.218 1.00 0.00 C ATOM 1386 CD PRO A 87 10.829 8.336 -8.739 1.00 0.00 C ATOM 0 HA PRO A 87 10.846 5.081 -9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.397 6.524 -11.463 1.00 0.00 H new ATOM 0 HB3 PRO A 87 9.794 6.600 -10.759 1.00 0.00 H new ATOM 0 HG2 PRO A 87 12.079 8.546 -10.474 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.384 8.879 -10.770 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.513 9.043 -8.269 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.817 8.675 -8.516 1.00 0.00 H new ATOM 1394 N ASP A 88 13.622 6.204 -8.580 1.00 0.00 N ATOM 1395 CA ASP A 88 15.028 5.835 -8.486 1.00 0.00 C ATOM 1396 C ASP A 88 15.137 4.555 -7.705 1.00 0.00 C ATOM 1397 O ASP A 88 16.126 3.827 -7.817 1.00 0.00 O ATOM 1398 CB ASP A 88 15.834 6.893 -7.723 1.00 0.00 C ATOM 1399 CG ASP A 88 15.862 8.239 -8.369 1.00 0.00 C ATOM 1400 OD1 ASP A 88 14.947 9.047 -8.126 1.00 0.00 O ATOM 1401 OD2 ASP A 88 16.812 8.539 -9.110 1.00 0.00 O ATOM 0 H ASP A 88 13.333 6.926 -7.920 1.00 0.00 H new ATOM 0 HA ASP A 88 15.418 5.737 -9.499 1.00 0.00 H new ATOM 0 HB2 ASP A 88 15.418 6.994 -6.721 1.00 0.00 H new ATOM 0 HB3 ASP A 88 16.858 6.538 -7.609 1.00 0.00 H new ATOM 1406 N GLY A 89 14.099 4.271 -6.917 1.00 0.00 N ATOM 1407 CA GLY A 89 14.097 3.103 -6.082 1.00 0.00 C ATOM 1408 C GLY A 89 15.118 3.266 -5.000 1.00 0.00 C ATOM 1409 O GLY A 89 15.803 2.323 -4.625 1.00 0.00 O ATOM 0 H GLY A 89 13.257 4.843 -6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.109 2.955 -5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.319 2.217 -6.676 1.00 0.00 H new ATOM 1413 N LYS A 90 15.211 4.477 -4.489 1.00 0.00 N ATOM 1414 CA LYS A 90 16.215 4.830 -3.517 1.00 0.00 C ATOM 1415 C LYS A 90 15.946 4.144 -2.186 1.00 0.00 C ATOM 1416 O LYS A 90 16.859 3.868 -1.405 1.00 0.00 O ATOM 1417 CB LYS A 90 16.276 6.358 -3.353 1.00 0.00 C ATOM 1418 CG LYS A 90 17.343 6.837 -2.386 1.00 0.00 C ATOM 1419 CD LYS A 90 18.733 6.399 -2.823 1.00 0.00 C ATOM 1420 CE LYS A 90 19.197 7.112 -4.099 1.00 0.00 C ATOM 1421 NZ LYS A 90 19.308 8.586 -3.940 1.00 0.00 N ATOM 0 H LYS A 90 14.588 5.244 -4.740 1.00 0.00 H new ATOM 0 HA LYS A 90 17.185 4.484 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 90 16.456 6.810 -4.328 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.305 6.715 -3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.309 7.924 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 90 17.134 6.446 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 90 19.443 6.598 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.736 5.322 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 90 20.165 6.712 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.497 6.892 -4.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 19.798 8.988 -4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.357 9.000 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.847 8.802 -3.077 1.00 0.00 H new ATOM 1435 N TRP A 91 14.715 3.808 -1.968 1.00 0.00 N ATOM 1436 CA TRP A 91 14.308 3.177 -0.746 1.00 0.00 C ATOM 1437 C TRP A 91 14.250 1.677 -0.936 1.00 0.00 C ATOM 1438 O TRP A 91 13.528 0.975 -0.229 1.00 0.00 O ATOM 1439 CB TRP A 91 12.959 3.720 -0.272 1.00 0.00 C ATOM 1440 CG TRP A 91 12.940 5.200 -0.053 1.00 0.00 C ATOM 1441 CD1 TRP A 91 12.596 6.153 -0.965 1.00 0.00 C ATOM 1442 CD2 TRP A 91 13.278 5.900 1.150 1.00 0.00 C ATOM 1443 NE1 TRP A 91 12.701 7.396 -0.405 1.00 0.00 N ATOM 1444 CE2 TRP A 91 13.113 7.271 0.892 1.00 0.00 C ATOM 1445 CE3 TRP A 91 13.698 5.500 2.423 1.00 0.00 C ATOM 1446 CZ2 TRP A 91 13.359 8.246 1.855 1.00 0.00 C ATOM 1447 CZ3 TRP A 91 13.940 6.468 3.378 1.00 0.00 C ATOM 1448 CH2 TRP A 91 13.767 7.827 3.089 1.00 0.00 C ATOM 0 H TRP A 91 13.958 3.963 -2.633 1.00 0.00 H new ATOM 0 HA TRP A 91 15.044 3.404 0.026 1.00 0.00 H new ATOM 0 HB2 TRP A 91 12.197 3.462 -1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 91 12.685 3.222 0.658 1.00 0.00 H new ATOM 0 HD1 TRP A 91 12.286 5.955 -1.981 1.00 0.00 H new ATOM 0 HE1 TRP A 91 12.503 8.277 -0.880 1.00 0.00 H new ATOM 0 HE3 TRP A 91 13.831 4.454 2.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 13.232 9.295 1.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 14.268 6.172 4.363 1.00 0.00 H new ATOM 0 HH2 TRP A 91 13.960 8.560 3.859 1.00 0.00 H new ATOM 1459 N ARG A 92 15.081 1.181 -1.839 1.00 0.00 N ATOM 1460 CA ARG A 92 15.199 -0.263 -2.088 1.00 0.00 C ATOM 1461 C ARG A 92 15.627 -0.963 -0.782 1.00 0.00 C ATOM 1462 O ARG A 92 15.177 -2.060 -0.455 1.00 0.00 O ATOM 1463 CB ARG A 92 16.240 -0.524 -3.188 1.00 0.00 C ATOM 1464 CG ARG A 92 17.575 0.086 -2.850 1.00 0.00 C ATOM 1465 CD ARG A 92 18.656 -0.210 -3.835 1.00 0.00 C ATOM 1466 NE ARG A 92 19.895 0.382 -3.352 1.00 0.00 N ATOM 1467 CZ ARG A 92 21.129 -0.107 -3.569 1.00 0.00 C ATOM 1468 NH1 ARG A 92 21.300 -1.174 -4.352 1.00 0.00 N ATOM 1469 NH2 ARG A 92 22.183 0.478 -2.997 1.00 0.00 N ATOM 0 H ARG A 92 15.692 1.755 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 92 14.238 -0.657 -2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 92 16.357 -1.598 -3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 92 15.882 -0.114 -4.132 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.457 1.167 -2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.886 -0.272 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 92 18.773 -1.287 -3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 92 18.399 0.196 -4.813 1.00 0.00 H new ATOM 0 HE ARG A 92 19.821 1.239 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.494 -1.621 -4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.237 -1.542 -4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 92 22.051 1.293 -2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 92 23.121 0.110 -3.159 1.00 0.00 H new ATOM 1483 N LYS A 93 16.448 -0.263 -0.014 1.00 0.00 N ATOM 1484 CA LYS A 93 16.935 -0.750 1.243 1.00 0.00 C ATOM 1485 C LYS A 93 15.849 -0.691 2.310 1.00 0.00 C ATOM 1486 O LYS A 93 15.855 -1.470 3.264 1.00 0.00 O ATOM 1487 CB LYS A 93 18.197 0.015 1.663 1.00 0.00 C ATOM 1488 CG LYS A 93 18.684 -0.312 3.077 1.00 0.00 C ATOM 1489 CD LYS A 93 20.096 0.170 3.341 1.00 0.00 C ATOM 1490 CE LYS A 93 21.119 -0.725 2.657 1.00 0.00 C ATOM 1491 NZ LYS A 93 21.113 -2.119 3.194 1.00 0.00 N ATOM 0 H LYS A 93 16.791 0.666 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 93 17.210 -1.798 1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.996 -0.206 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.999 1.085 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.009 0.142 3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.639 -1.390 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.207 1.193 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.283 0.186 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.915 -0.751 1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.113 -0.296 2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.960 -2.623 2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.113 -2.091 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.262 -2.615 2.862 1.00 0.00 H new ATOM 1505 N LYS A 94 14.898 0.198 2.141 1.00 0.00 N ATOM 1506 CA LYS A 94 13.830 0.289 3.088 1.00 0.00 C ATOM 1507 C LYS A 94 12.835 -0.825 2.784 1.00 0.00 C ATOM 1508 O LYS A 94 12.280 -1.407 3.683 1.00 0.00 O ATOM 1509 CB LYS A 94 13.161 1.662 3.079 1.00 0.00 C ATOM 1510 CG LYS A 94 12.332 1.955 4.332 1.00 0.00 C ATOM 1511 CD LYS A 94 13.223 2.029 5.576 1.00 0.00 C ATOM 1512 CE LYS A 94 12.436 2.334 6.848 1.00 0.00 C ATOM 1513 NZ LYS A 94 11.508 1.237 7.222 1.00 0.00 N ATOM 0 H LYS A 94 14.848 0.857 1.364 1.00 0.00 H new ATOM 0 HA LYS A 94 14.229 0.168 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 94 13.929 2.429 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.516 1.736 2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.798 2.897 4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.580 1.177 4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.749 1.082 5.698 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.981 2.798 5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.132 2.511 7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.868 3.254 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.765 1.609 7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.073 0.842 6.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.035 0.490 7.718 1.00 0.00 H new ATOM 1527 N TYR A 95 12.650 -1.121 1.493 1.00 0.00 N ATOM 1528 CA TYR A 95 11.861 -2.279 1.034 1.00 0.00 C ATOM 1529 C TYR A 95 12.422 -3.538 1.702 1.00 0.00 C ATOM 1530 O TYR A 95 11.681 -4.321 2.311 1.00 0.00 O ATOM 1531 CB TYR A 95 11.979 -2.371 -0.504 1.00 0.00 C ATOM 1532 CG TYR A 95 11.350 -3.589 -1.186 1.00 0.00 C ATOM 1533 CD1 TYR A 95 12.077 -4.767 -1.369 1.00 0.00 C ATOM 1534 CD2 TYR A 95 10.064 -3.539 -1.693 1.00 0.00 C ATOM 1535 CE1 TYR A 95 11.536 -5.849 -2.036 1.00 0.00 C ATOM 1536 CE2 TYR A 95 9.511 -4.623 -2.355 1.00 0.00 C ATOM 1537 CZ TYR A 95 10.254 -5.772 -2.525 1.00 0.00 C ATOM 1538 OH TYR A 95 9.713 -6.847 -3.202 1.00 0.00 O ATOM 0 H TYR A 95 13.042 -0.566 0.732 1.00 0.00 H new ATOM 0 HA TYR A 95 10.809 -2.176 1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.528 -1.475 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 95 13.038 -2.349 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 95 13.083 -4.834 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.480 -2.639 -1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 95 12.117 -6.749 -2.172 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.502 -4.568 -2.736 1.00 0.00 H new ATOM 0 HH TYR A 95 8.799 -6.631 -3.481 1.00 0.00 H new ATOM 1548 N GLU A 96 13.743 -3.672 1.596 1.00 0.00 N ATOM 1549 CA GLU A 96 14.540 -4.721 2.238 1.00 0.00 C ATOM 1550 C GLU A 96 14.235 -4.755 3.747 1.00 0.00 C ATOM 1551 O GLU A 96 13.852 -5.789 4.301 1.00 0.00 O ATOM 1552 CB GLU A 96 16.018 -4.361 1.998 1.00 0.00 C ATOM 1553 CG GLU A 96 17.067 -5.234 2.661 1.00 0.00 C ATOM 1554 CD GLU A 96 18.459 -4.675 2.432 1.00 0.00 C ATOM 1555 OE1 GLU A 96 19.059 -4.959 1.382 1.00 0.00 O ATOM 1556 OE2 GLU A 96 18.966 -3.893 3.287 1.00 0.00 O ATOM 0 H GLU A 96 14.310 -3.031 1.041 1.00 0.00 H new ATOM 0 HA GLU A 96 14.309 -5.704 1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 96 16.198 -4.376 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 96 16.173 -3.335 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 96 16.868 -5.299 3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 96 17.007 -6.247 2.263 1.00 0.00 H new ATOM 1563 N ASP A 97 14.363 -3.590 4.367 1.00 0.00 N ATOM 1564 CA ASP A 97 14.138 -3.375 5.804 1.00 0.00 C ATOM 1565 C ASP A 97 12.763 -3.843 6.255 1.00 0.00 C ATOM 1566 O ASP A 97 12.657 -4.655 7.171 1.00 0.00 O ATOM 1567 CB ASP A 97 14.310 -1.882 6.133 1.00 0.00 C ATOM 1568 CG ASP A 97 13.999 -1.524 7.569 1.00 0.00 C ATOM 1569 OD1 ASP A 97 14.870 -1.729 8.448 1.00 0.00 O ATOM 1570 OD2 ASP A 97 12.909 -0.967 7.826 1.00 0.00 O ATOM 0 H ASP A 97 14.634 -2.738 3.876 1.00 0.00 H new ATOM 0 HA ASP A 97 14.875 -3.971 6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.336 -1.588 5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.663 -1.300 5.477 1.00 0.00 H new ATOM 1575 N ARG A 98 11.731 -3.351 5.586 1.00 0.00 N ATOM 1576 CA ARG A 98 10.338 -3.653 5.923 1.00 0.00 C ATOM 1577 C ARG A 98 10.064 -5.152 5.796 1.00 0.00 C ATOM 1578 O ARG A 98 9.560 -5.784 6.732 1.00 0.00 O ATOM 1579 CB ARG A 98 9.396 -2.914 4.975 1.00 0.00 C ATOM 1580 CG ARG A 98 9.575 -1.408 4.902 1.00 0.00 C ATOM 1581 CD ARG A 98 8.879 -0.864 3.666 1.00 0.00 C ATOM 1582 NE ARG A 98 9.195 0.530 3.389 1.00 0.00 N ATOM 1583 CZ ARG A 98 9.390 1.011 2.156 1.00 0.00 C ATOM 1584 NH1 ARG A 98 9.194 0.225 1.100 1.00 0.00 N ATOM 1585 NH2 ARG A 98 9.746 2.264 1.973 1.00 0.00 N ATOM 0 H ARG A 98 11.832 -2.725 4.787 1.00 0.00 H new ATOM 0 HA ARG A 98 10.167 -3.334 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.524 -3.325 3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.370 -3.124 5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.164 -0.940 5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.636 -1.160 4.871 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.159 -1.470 2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.801 -0.966 3.791 1.00 0.00 H new ATOM 0 HE ARG A 98 9.272 1.174 4.176 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.896 -0.741 1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.342 0.589 0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.876 2.880 2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 98 9.892 2.620 1.028 1.00 0.00 H new ATOM 1599 N ALA A 99 10.422 -5.711 4.640 1.00 0.00 N ATOM 1600 CA ALA A 99 10.190 -7.108 4.329 1.00 0.00 C ATOM 1601 C ALA A 99 10.876 -8.020 5.320 1.00 0.00 C ATOM 1602 O ALA A 99 10.258 -8.945 5.866 1.00 0.00 O ATOM 1603 CB ALA A 99 10.695 -7.411 2.934 1.00 0.00 C ATOM 0 H ALA A 99 10.885 -5.196 3.891 1.00 0.00 H new ATOM 0 HA ALA A 99 9.117 -7.289 4.387 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.519 -8.462 2.704 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.167 -6.788 2.212 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.763 -7.202 2.880 1.00 0.00 H new ATOM 1609 N LYS A 100 12.130 -7.740 5.589 1.00 0.00 N ATOM 1610 CA LYS A 100 12.909 -8.597 6.435 1.00 0.00 C ATOM 1611 C LYS A 100 12.455 -8.474 7.892 1.00 0.00 C ATOM 1612 O LYS A 100 12.451 -9.456 8.624 1.00 0.00 O ATOM 1613 CB LYS A 100 14.410 -8.299 6.279 1.00 0.00 C ATOM 1614 CG LYS A 100 15.322 -9.439 6.713 1.00 0.00 C ATOM 1615 CD LYS A 100 15.065 -10.674 5.852 1.00 0.00 C ATOM 1616 CE LYS A 100 15.921 -11.848 6.255 1.00 0.00 C ATOM 1617 NZ LYS A 100 15.557 -13.065 5.497 1.00 0.00 N ATOM 0 H LYS A 100 12.627 -6.924 5.232 1.00 0.00 H new ATOM 0 HA LYS A 100 12.748 -9.630 6.126 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.615 -8.062 5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.655 -7.411 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 100 16.365 -9.135 6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 100 15.147 -9.675 7.763 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.014 -10.952 5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 100 15.257 -10.431 4.807 1.00 0.00 H new ATOM 0 HE2 LYS A 100 16.971 -11.611 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.807 -12.034 7.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.140 -13.863 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.553 -13.284 5.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.722 -12.905 4.483 1.00 0.00 H new ATOM 1631 N ALA A 101 12.027 -7.280 8.283 1.00 0.00 N ATOM 1632 CA ALA A 101 11.568 -7.035 9.646 1.00 0.00 C ATOM 1633 C ALA A 101 10.245 -7.723 9.926 1.00 0.00 C ATOM 1634 O ALA A 101 10.088 -8.379 10.958 1.00 0.00 O ATOM 1635 CB ALA A 101 11.450 -5.544 9.930 1.00 0.00 C ATOM 0 H ALA A 101 11.988 -6.463 7.674 1.00 0.00 H new ATOM 0 HA ALA A 101 12.319 -7.459 10.312 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.106 -5.395 10.953 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.424 -5.071 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.736 -5.097 9.238 1.00 0.00 H new ATOM 1641 N LYS A 102 9.296 -7.593 9.012 1.00 0.00 N ATOM 1642 CA LYS A 102 7.976 -8.179 9.215 1.00 0.00 C ATOM 1643 C LYS A 102 7.988 -9.682 9.058 1.00 0.00 C ATOM 1644 O LYS A 102 7.218 -10.381 9.708 1.00 0.00 O ATOM 1645 CB LYS A 102 6.922 -7.546 8.305 1.00 0.00 C ATOM 1646 CG LYS A 102 6.662 -6.063 8.573 1.00 0.00 C ATOM 1647 CD LYS A 102 6.235 -5.786 10.030 1.00 0.00 C ATOM 1648 CE LYS A 102 4.964 -6.540 10.431 1.00 0.00 C ATOM 1649 NZ LYS A 102 4.600 -6.286 11.843 1.00 0.00 N ATOM 0 H LYS A 102 9.411 -7.093 8.131 1.00 0.00 H new ATOM 0 HA LYS A 102 7.700 -7.959 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.236 -7.665 7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.986 -8.093 8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.564 -5.494 8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.885 -5.707 7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.046 -6.068 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.073 -4.716 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.141 -6.237 9.783 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.112 -7.609 10.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.596 -6.515 11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.185 -6.880 12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.763 -5.284 12.069 1.00 0.00 H new ATOM 1663 N GLY A 103 8.854 -10.171 8.218 1.00 0.00 N ATOM 1664 CA GLY A 103 8.953 -11.593 8.040 1.00 0.00 C ATOM 1665 C GLY A 103 8.481 -12.023 6.685 1.00 0.00 C ATOM 1666 O GLY A 103 7.632 -12.901 6.553 1.00 0.00 O ATOM 0 H GLY A 103 9.495 -9.616 7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.988 -11.905 8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.363 -12.096 8.806 1.00 0.00 H new ATOM 1670 N ILE A 104 8.970 -11.364 5.684 1.00 0.00 N ATOM 1671 CA ILE A 104 8.692 -11.721 4.322 1.00 0.00 C ATOM 1672 C ILE A 104 9.937 -12.403 3.787 1.00 0.00 C ATOM 1673 O ILE A 104 11.035 -11.837 3.871 1.00 0.00 O ATOM 1674 CB ILE A 104 8.368 -10.459 3.457 1.00 0.00 C ATOM 1675 CG1 ILE A 104 7.150 -9.694 4.013 1.00 0.00 C ATOM 1676 CG2 ILE A 104 8.132 -10.827 1.993 1.00 0.00 C ATOM 1677 CD1 ILE A 104 5.888 -10.492 4.041 1.00 0.00 C ATOM 0 H ILE A 104 9.581 -10.553 5.786 1.00 0.00 H new ATOM 0 HA ILE A 104 7.821 -12.375 4.275 1.00 0.00 H new ATOM 0 HB ILE A 104 9.240 -9.807 3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.377 -9.358 5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.989 -8.801 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.910 -9.925 1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 104 9.026 -11.301 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.292 -11.518 1.922 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.080 -9.882 4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.634 -10.806 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.028 -11.372 4.670 1.00 0.00 H new ATOM 1689 N VAL A 105 9.794 -13.627 3.339 1.00 0.00 N ATOM 1690 CA VAL A 105 10.905 -14.379 2.797 1.00 0.00 C ATOM 1691 C VAL A 105 11.387 -13.780 1.482 1.00 0.00 C ATOM 1692 O VAL A 105 10.705 -13.837 0.455 1.00 0.00 O ATOM 1693 CB VAL A 105 10.596 -15.917 2.667 1.00 0.00 C ATOM 1694 CG1 VAL A 105 9.322 -16.184 1.880 1.00 0.00 C ATOM 1695 CG2 VAL A 105 11.773 -16.670 2.047 1.00 0.00 C ATOM 0 H VAL A 105 8.907 -14.131 3.339 1.00 0.00 H new ATOM 0 HA VAL A 105 11.720 -14.298 3.516 1.00 0.00 H new ATOM 0 HB VAL A 105 10.441 -16.289 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 105 9.151 -17.259 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.478 -15.711 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 105 9.422 -15.774 0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 105 11.528 -17.729 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 105 11.976 -16.272 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 105 12.656 -16.546 2.675 1.00 0.00 H new ATOM 1705 N ILE A 106 12.526 -13.145 1.548 1.00 0.00 N ATOM 1706 CA ILE A 106 13.146 -12.546 0.396 1.00 0.00 C ATOM 1707 C ILE A 106 14.600 -12.982 0.433 1.00 0.00 C ATOM 1708 O ILE A 106 15.049 -13.524 1.469 1.00 0.00 O ATOM 1709 CB ILE A 106 13.086 -10.965 0.423 1.00 0.00 C ATOM 1710 CG1 ILE A 106 14.121 -10.382 1.421 1.00 0.00 C ATOM 1711 CG2 ILE A 106 11.672 -10.460 0.712 1.00 0.00 C ATOM 1712 CD1 ILE A 106 13.985 -8.891 1.688 1.00 0.00 C ATOM 0 H ILE A 106 13.056 -13.027 2.412 1.00 0.00 H new ATOM 0 HA ILE A 106 12.622 -12.863 -0.506 1.00 0.00 H new ATOM 0 HB ILE A 106 13.354 -10.608 -0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 106 14.031 -10.915 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 106 15.123 -10.578 1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 106 11.670 -9.370 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 106 10.993 -10.817 -0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 106 11.344 -10.833 1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 106 14.751 -8.577 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 106 14.107 -8.342 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.999 -8.684 2.104 1.00 0.00 H new ATOM 1724 N PRO A 107 15.339 -12.808 -0.659 1.00 0.00 N ATOM 1725 CA PRO A 107 16.769 -13.105 -0.704 1.00 0.00 C ATOM 1726 C PRO A 107 17.569 -12.441 0.424 1.00 0.00 C ATOM 1727 O PRO A 107 17.498 -11.209 0.626 1.00 0.00 O ATOM 1728 CB PRO A 107 17.186 -12.498 -2.026 1.00 0.00 C ATOM 1729 CG PRO A 107 16.000 -12.647 -2.886 1.00 0.00 C ATOM 1730 CD PRO A 107 14.841 -12.367 -1.989 1.00 0.00 C ATOM 0 HA PRO A 107 16.956 -14.173 -0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 107 17.465 -11.451 -1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 107 18.049 -13.014 -2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 107 16.029 -11.950 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 107 15.941 -13.650 -3.308 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.574 -11.310 -1.991 1.00 0.00 H new ATOM 0 HD3 PRO A 107 13.952 -12.921 -2.292 1.00 0.00 H new ATOM 1738 N GLU A 108 18.283 -13.242 1.171 1.00 0.00 N ATOM 1739 CA GLU A 108 19.173 -12.736 2.167 1.00 0.00 C ATOM 1740 C GLU A 108 20.598 -13.081 1.768 1.00 0.00 C ATOM 1741 O GLU A 108 21.037 -14.220 1.983 1.00 0.00 O ATOM 1742 CB GLU A 108 18.804 -13.199 3.604 1.00 0.00 C ATOM 1743 CG GLU A 108 18.686 -14.706 3.817 1.00 0.00 C ATOM 1744 CD GLU A 108 18.401 -15.055 5.252 1.00 0.00 C ATOM 1745 OE1 GLU A 108 17.223 -15.125 5.639 1.00 0.00 O ATOM 1746 OE2 GLU A 108 19.352 -15.247 6.036 1.00 0.00 O ATOM 1747 OXT GLU A 108 21.260 -12.228 1.157 1.00 0.00 O ATOM 0 H GLU A 108 18.260 -14.259 1.102 1.00 0.00 H new ATOM 0 HA GLU A 108 19.078 -11.651 2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 108 19.557 -12.814 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 108 17.855 -12.739 3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 108 17.891 -15.100 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.611 -15.189 3.504 1.00 0.00 H new TER 1754 GLU A 108