USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.2 (180deg=1.05) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.557 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -131:sc= 0.199 (180deg=-0.301) USER MOD Single : A 23 TYR OH : rot -39:sc= 0.0788 USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= 1.2 (180deg=1.06) USER MOD Single : A 29 GLN : amide:sc= -1.43! C(o=-1.4!,f=-6.4!) USER MOD Single : A 31 HIS : no HE2:sc= -1.18! C(o=-1.2!,f=-8.7!) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.0747 (180deg=-0.454) USER MOD Single : A 35 ASN : amide:sc= -3.8! C(o=-3.8!,f=-4.5!) USER MOD Single : A 38 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.7!) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -0.0454 (180deg=-0.329) USER MOD Single : A 44 LYS NZ :NH3+ -158:sc= 1.59 (180deg=1.15) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 164:sc= -0.0462 (180deg=-0.339) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 73:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ 171:sc=-0.00346 (180deg=-0.0993) USER MOD Single : A 60 HIS : no HE2:sc= 0.133 K(o=0.13,f=-4.8!) USER MOD Single : A 61 LYS NZ :NH3+ 138:sc= 1.06 (180deg=-0.185) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.547 2.872 12.003 1.00 0.00 N ATOM 2 CA MET A 1 -12.331 3.705 11.871 1.00 0.00 C ATOM 3 C MET A 1 -11.512 3.241 10.679 1.00 0.00 C ATOM 4 O MET A 1 -11.060 2.096 10.628 1.00 0.00 O ATOM 5 CB MET A 1 -11.480 3.646 13.147 1.00 0.00 C ATOM 6 CG MET A 1 -12.005 4.513 14.281 1.00 0.00 C ATOM 7 SD MET A 1 -13.698 4.108 14.751 1.00 0.00 S ATOM 8 CE MET A 1 -13.965 5.267 16.090 1.00 0.00 C ATOM 0 H1 MET A 1 -14.050 3.128 12.877 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.169 3.034 11.186 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.278 1.868 12.039 1.00 0.00 H new ATOM 0 HA MET A 1 -12.641 4.738 11.716 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.427 2.612 13.488 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.463 3.956 12.908 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.356 4.399 15.149 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.957 5.560 13.983 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.972 5.139 16.487 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.238 5.083 16.881 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.848 6.285 15.719 1.00 0.00 H new ATOM 20 N ALA A 2 -11.340 4.127 9.712 1.00 0.00 N ATOM 21 CA ALA A 2 -10.564 3.816 8.528 1.00 0.00 C ATOM 22 C ALA A 2 -9.082 4.030 8.792 1.00 0.00 C ATOM 23 O ALA A 2 -8.492 5.003 8.320 1.00 0.00 O ATOM 24 CB ALA A 2 -11.018 4.663 7.350 1.00 0.00 C ATOM 0 H ALA A 2 -11.730 5.070 9.726 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.726 2.767 8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.423 4.414 6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.070 4.465 7.143 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.888 5.718 7.589 1.00 0.00 H new ATOM 30 N SER A 3 -8.483 3.107 9.535 1.00 0.00 N ATOM 31 CA SER A 3 -7.068 3.172 9.881 1.00 0.00 C ATOM 32 C SER A 3 -6.189 2.828 8.673 1.00 0.00 C ATOM 33 O SER A 3 -5.108 2.258 8.817 1.00 0.00 O ATOM 34 CB SER A 3 -6.780 2.205 11.029 1.00 0.00 C ATOM 35 OG SER A 3 -7.803 2.264 12.011 1.00 0.00 O ATOM 0 H SER A 3 -8.965 2.292 9.915 1.00 0.00 H new ATOM 0 HA SER A 3 -6.832 4.190 10.191 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.700 1.189 10.642 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.820 2.450 11.483 1.00 0.00 H new ATOM 0 HG SER A 3 -7.598 1.636 12.735 1.00 0.00 H new ATOM 41 N TYR A 4 -6.655 3.187 7.486 1.00 0.00 N ATOM 42 CA TYR A 4 -5.925 2.919 6.259 1.00 0.00 C ATOM 43 C TYR A 4 -4.653 3.759 6.194 1.00 0.00 C ATOM 44 O TYR A 4 -3.692 3.395 5.520 1.00 0.00 O ATOM 45 CB TYR A 4 -6.820 3.164 5.044 1.00 0.00 C ATOM 46 CG TYR A 4 -7.958 2.169 4.945 1.00 0.00 C ATOM 47 CD1 TYR A 4 -7.701 0.819 4.749 1.00 0.00 C ATOM 48 CD2 TYR A 4 -9.282 2.573 5.070 1.00 0.00 C ATOM 49 CE1 TYR A 4 -8.729 -0.100 4.674 1.00 0.00 C ATOM 50 CE2 TYR A 4 -10.318 1.658 5.000 1.00 0.00 C ATOM 51 CZ TYR A 4 -10.034 0.322 4.802 1.00 0.00 C ATOM 52 OH TYR A 4 -11.057 -0.597 4.744 1.00 0.00 O ATOM 0 H TYR A 4 -7.543 3.669 7.348 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.627 1.870 6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -7.229 4.173 5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.217 3.111 4.137 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.680 0.482 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.506 3.618 5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.511 -1.146 4.516 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.342 1.987 5.100 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.916 -0.138 4.852 1.00 0.00 H new ATOM 62 N TYR A 5 -4.652 4.884 6.901 1.00 0.00 N ATOM 63 CA TYR A 5 -3.443 5.695 7.032 1.00 0.00 C ATOM 64 C TYR A 5 -2.302 4.874 7.634 1.00 0.00 C ATOM 65 O TYR A 5 -1.136 5.077 7.300 1.00 0.00 O ATOM 66 CB TYR A 5 -3.704 6.957 7.874 1.00 0.00 C ATOM 67 CG TYR A 5 -4.637 6.761 9.052 1.00 0.00 C ATOM 68 CD1 TYR A 5 -4.183 6.254 10.261 1.00 0.00 C ATOM 69 CD2 TYR A 5 -5.978 7.098 8.948 1.00 0.00 C ATOM 70 CE1 TYR A 5 -5.041 6.082 11.333 1.00 0.00 C ATOM 71 CE2 TYR A 5 -6.843 6.932 10.011 1.00 0.00 C ATOM 72 CZ TYR A 5 -6.372 6.424 11.201 1.00 0.00 C ATOM 73 OH TYR A 5 -7.240 6.249 12.258 1.00 0.00 O ATOM 0 H TYR A 5 -5.467 5.255 7.389 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.149 6.014 6.032 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.750 7.332 8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.119 7.728 7.226 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.141 5.989 10.367 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.353 7.498 8.018 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.672 5.683 12.266 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.884 7.199 9.910 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.138 6.541 11.996 1.00 0.00 H new ATOM 83 N GLU A 6 -2.650 3.937 8.511 1.00 0.00 N ATOM 84 CA GLU A 6 -1.665 3.060 9.131 1.00 0.00 C ATOM 85 C GLU A 6 -1.159 2.017 8.135 1.00 0.00 C ATOM 86 O GLU A 6 0.042 1.758 8.042 1.00 0.00 O ATOM 87 CB GLU A 6 -2.280 2.360 10.341 1.00 0.00 C ATOM 88 CG GLU A 6 -2.794 3.323 11.391 1.00 0.00 C ATOM 89 CD GLU A 6 -1.686 3.986 12.183 1.00 0.00 C ATOM 90 OE1 GLU A 6 -1.182 5.045 11.749 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.327 3.460 13.256 1.00 0.00 O ATOM 0 H GLU A 6 -3.611 3.766 8.808 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.820 3.669 9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.101 1.725 10.007 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.534 1.706 10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.396 4.092 10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.451 2.787 12.076 1.00 0.00 H new ATOM 98 N ILE A 7 -2.090 1.426 7.385 1.00 0.00 N ATOM 99 CA ILE A 7 -1.765 0.334 6.468 1.00 0.00 C ATOM 100 C ILE A 7 -0.974 0.827 5.259 1.00 0.00 C ATOM 101 O ILE A 7 -0.140 0.102 4.716 1.00 0.00 O ATOM 102 CB ILE A 7 -3.039 -0.440 6.018 1.00 0.00 C ATOM 103 CG1 ILE A 7 -3.966 0.410 5.138 1.00 0.00 C ATOM 104 CG2 ILE A 7 -3.805 -0.932 7.236 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.699 0.291 3.650 1.00 0.00 C ATOM 0 H ILE A 7 -3.076 1.686 7.395 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.131 -0.361 7.019 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.703 -1.285 5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.999 0.121 5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.867 1.455 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.695 -1.472 6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.170 -1.597 7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.101 -0.080 7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.398 0.924 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.679 0.609 3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.828 -0.746 3.339 1.00 0.00 H new ATOM 117 N LEU A 8 -1.222 2.065 4.852 1.00 0.00 N ATOM 118 CA LEU A 8 -0.544 2.634 3.703 1.00 0.00 C ATOM 119 C LEU A 8 0.635 3.489 4.146 1.00 0.00 C ATOM 120 O LEU A 8 1.780 3.036 4.129 1.00 0.00 O ATOM 121 CB LEU A 8 -1.522 3.473 2.876 1.00 0.00 C ATOM 122 CG LEU A 8 -0.917 4.157 1.652 1.00 0.00 C ATOM 123 CD1 LEU A 8 -0.451 3.126 0.637 1.00 0.00 C ATOM 124 CD2 LEU A 8 -1.920 5.111 1.028 1.00 0.00 C ATOM 0 H LEU A 8 -1.889 2.692 5.303 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.167 1.819 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.339 2.831 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.957 4.236 3.521 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.049 4.733 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.023 3.634 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.304 2.484 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.299 2.520 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.473 5.590 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.807 4.557 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.201 5.872 1.757 1.00 0.00 H new ATOM 136 N ASP A 9 0.329 4.716 4.566 1.00 0.00 N ATOM 137 CA ASP A 9 1.335 5.689 4.990 1.00 0.00 C ATOM 138 C ASP A 9 0.649 7.014 5.277 1.00 0.00 C ATOM 139 O ASP A 9 0.938 7.686 6.269 1.00 0.00 O ATOM 140 CB ASP A 9 2.409 5.885 3.911 1.00 0.00 C ATOM 141 CG ASP A 9 3.622 6.642 4.417 1.00 0.00 C ATOM 142 OD1 ASP A 9 4.349 6.096 5.273 1.00 0.00 O ATOM 143 OD2 ASP A 9 3.860 7.778 3.959 1.00 0.00 O ATOM 0 H ASP A 9 -0.628 5.065 4.622 1.00 0.00 H new ATOM 0 HA ASP A 9 1.826 5.315 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.725 4.911 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.976 6.424 3.068 1.00 0.00 H new ATOM 148 N VAL A 10 -0.303 7.349 4.420 1.00 0.00 N ATOM 149 CA VAL A 10 -1.049 8.599 4.528 1.00 0.00 C ATOM 150 C VAL A 10 -2.547 8.320 4.657 1.00 0.00 C ATOM 151 O VAL A 10 -3.019 7.245 4.280 1.00 0.00 O ATOM 152 CB VAL A 10 -0.804 9.513 3.305 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.659 9.927 3.222 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.245 8.830 2.019 1.00 0.00 C ATOM 0 H VAL A 10 -0.582 6.766 3.631 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.694 9.112 5.422 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.405 10.413 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.807 10.569 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.935 10.470 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.284 9.039 3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.062 9.493 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.680 7.907 1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.309 8.599 2.076 1.00 0.00 H new ATOM 164 N PRO A 11 -3.303 9.278 5.216 1.00 0.00 N ATOM 165 CA PRO A 11 -4.751 9.155 5.405 1.00 0.00 C ATOM 166 C PRO A 11 -5.531 9.407 4.118 1.00 0.00 C ATOM 167 O PRO A 11 -5.032 10.034 3.185 1.00 0.00 O ATOM 168 CB PRO A 11 -5.081 10.246 6.440 1.00 0.00 C ATOM 169 CG PRO A 11 -3.776 10.866 6.830 1.00 0.00 C ATOM 170 CD PRO A 11 -2.811 10.561 5.722 1.00 0.00 C ATOM 0 HA PRO A 11 -5.027 8.149 5.720 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.754 10.992 6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.583 9.819 7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.883 11.942 6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.421 10.459 7.777 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.821 11.332 4.951 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.786 10.488 6.086 1.00 0.00 H new ATOM 178 N ARG A 12 -6.772 8.918 4.092 1.00 0.00 N ATOM 179 CA ARG A 12 -7.655 9.063 2.932 1.00 0.00 C ATOM 180 C ARG A 12 -7.959 10.528 2.636 1.00 0.00 C ATOM 181 O ARG A 12 -8.345 10.882 1.524 1.00 0.00 O ATOM 182 CB ARG A 12 -8.972 8.329 3.173 1.00 0.00 C ATOM 183 CG ARG A 12 -9.738 8.832 4.384 1.00 0.00 C ATOM 184 CD ARG A 12 -11.067 8.115 4.555 1.00 0.00 C ATOM 185 NE ARG A 12 -11.856 8.708 5.634 1.00 0.00 N ATOM 186 CZ ARG A 12 -12.848 8.088 6.272 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.221 6.864 5.911 1.00 0.00 N ATOM 188 NH2 ARG A 12 -13.481 8.708 7.263 1.00 0.00 N ATOM 0 H ARG A 12 -7.193 8.412 4.871 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.135 8.632 2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.601 8.430 2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.767 7.266 3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.133 8.692 5.280 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.914 9.903 4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.630 8.161 3.623 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.889 7.061 4.769 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.632 9.662 5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.747 6.393 5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.981 6.396 6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.207 9.653 7.531 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.241 8.239 7.755 1.00 0.00 H new ATOM 202 N SER A 13 -7.811 11.361 3.653 1.00 0.00 N ATOM 203 CA SER A 13 -8.042 12.796 3.534 1.00 0.00 C ATOM 204 C SER A 13 -7.021 13.447 2.599 1.00 0.00 C ATOM 205 O SER A 13 -7.230 14.559 2.108 1.00 0.00 O ATOM 206 CB SER A 13 -7.983 13.432 4.923 1.00 0.00 C ATOM 207 OG SER A 13 -6.819 13.014 5.619 1.00 0.00 O ATOM 0 H SER A 13 -7.527 11.064 4.586 1.00 0.00 H new ATOM 0 HA SER A 13 -9.029 12.959 3.101 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.987 14.518 4.831 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.871 13.157 5.492 1.00 0.00 H new ATOM 0 HG SER A 13 -6.799 13.433 6.505 1.00 0.00 H new ATOM 213 N ALA A 14 -5.920 12.746 2.357 1.00 0.00 N ATOM 214 CA ALA A 14 -4.904 13.206 1.426 1.00 0.00 C ATOM 215 C ALA A 14 -5.400 13.038 -0.004 1.00 0.00 C ATOM 216 O ALA A 14 -6.173 12.126 -0.296 1.00 0.00 O ATOM 217 CB ALA A 14 -3.601 12.449 1.638 1.00 0.00 C ATOM 0 H ALA A 14 -5.710 11.850 2.798 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.711 14.263 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.853 12.808 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.247 12.612 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.769 11.384 1.479 1.00 0.00 H new ATOM 223 N SER A 15 -4.996 13.949 -0.876 1.00 0.00 N ATOM 224 CA SER A 15 -5.421 13.921 -2.266 1.00 0.00 C ATOM 225 C SER A 15 -4.996 12.613 -2.933 1.00 0.00 C ATOM 226 O SER A 15 -4.050 11.972 -2.480 1.00 0.00 O ATOM 227 CB SER A 15 -4.832 15.121 -3.017 1.00 0.00 C ATOM 228 OG SER A 15 -5.441 15.291 -4.288 1.00 0.00 O ATOM 0 H SER A 15 -4.371 14.721 -0.643 1.00 0.00 H new ATOM 0 HA SER A 15 -6.509 13.982 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.968 16.025 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.758 14.981 -3.143 1.00 0.00 H new ATOM 0 HG SER A 15 -5.044 16.065 -4.740 1.00 0.00 H new ATOM 234 N ALA A 16 -5.684 12.225 -3.999 1.00 0.00 N ATOM 235 CA ALA A 16 -5.446 10.928 -4.643 1.00 0.00 C ATOM 236 C ALA A 16 -3.966 10.716 -4.973 1.00 0.00 C ATOM 237 O ALA A 16 -3.416 9.632 -4.748 1.00 0.00 O ATOM 238 CB ALA A 16 -6.292 10.805 -5.902 1.00 0.00 C ATOM 0 H ALA A 16 -6.413 12.786 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.737 10.151 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.107 9.839 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.347 10.886 -5.641 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.028 11.602 -6.597 1.00 0.00 H new ATOM 244 N ASP A 17 -3.321 11.763 -5.480 1.00 0.00 N ATOM 245 CA ASP A 17 -1.906 11.690 -5.830 1.00 0.00 C ATOM 246 C ASP A 17 -1.052 11.421 -4.600 1.00 0.00 C ATOM 247 O ASP A 17 -0.051 10.727 -4.687 1.00 0.00 O ATOM 248 CB ASP A 17 -1.437 12.971 -6.511 1.00 0.00 C ATOM 249 CG ASP A 17 0.045 12.936 -6.852 1.00 0.00 C ATOM 250 OD1 ASP A 17 0.464 12.058 -7.640 1.00 0.00 O ATOM 251 OD2 ASP A 17 0.796 13.777 -6.320 1.00 0.00 O ATOM 0 H ASP A 17 -3.754 12.669 -5.657 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.789 10.862 -6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.013 13.127 -7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.637 13.821 -5.858 1.00 0.00 H new ATOM 256 N ASP A 18 -1.459 11.963 -3.457 1.00 0.00 N ATOM 257 CA ASP A 18 -0.719 11.791 -2.209 1.00 0.00 C ATOM 258 C ASP A 18 -0.648 10.325 -1.812 1.00 0.00 C ATOM 259 O ASP A 18 0.404 9.836 -1.412 1.00 0.00 O ATOM 260 CB ASP A 18 -1.361 12.595 -1.083 1.00 0.00 C ATOM 261 CG ASP A 18 -1.145 14.081 -1.244 1.00 0.00 C ATOM 262 OD1 ASP A 18 -1.798 14.695 -2.113 1.00 0.00 O ATOM 263 OD2 ASP A 18 -0.310 14.644 -0.504 1.00 0.00 O ATOM 0 H ASP A 18 -2.303 12.529 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 18 0.294 12.158 -2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.431 12.387 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.948 12.272 -0.128 1.00 0.00 H new ATOM 268 N ILE A 19 -1.773 9.632 -1.926 1.00 0.00 N ATOM 269 CA ILE A 19 -1.816 8.195 -1.666 1.00 0.00 C ATOM 270 C ILE A 19 -0.875 7.464 -2.620 1.00 0.00 C ATOM 271 O ILE A 19 -0.098 6.597 -2.215 1.00 0.00 O ATOM 272 CB ILE A 19 -3.253 7.628 -1.804 1.00 0.00 C ATOM 273 CG1 ILE A 19 -4.068 7.936 -0.551 1.00 0.00 C ATOM 274 CG2 ILE A 19 -3.251 6.132 -2.083 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.590 9.346 -0.521 1.00 0.00 C ATOM 0 H ILE A 19 -2.668 10.039 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.492 8.035 -0.638 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.717 8.118 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.907 7.243 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.449 7.765 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.278 5.777 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.717 5.936 -3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.757 5.610 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.161 9.503 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.754 10.044 -0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.234 9.514 -1.384 1.00 0.00 H new ATOM 287 N LYS A 20 -0.935 7.855 -3.883 1.00 0.00 N ATOM 288 CA LYS A 20 -0.084 7.282 -4.912 1.00 0.00 C ATOM 289 C LYS A 20 1.386 7.626 -4.645 1.00 0.00 C ATOM 290 O LYS A 20 2.281 6.810 -4.874 1.00 0.00 O ATOM 291 CB LYS A 20 -0.536 7.802 -6.279 1.00 0.00 C ATOM 292 CG LYS A 20 0.171 7.176 -7.470 1.00 0.00 C ATOM 293 CD LYS A 20 -0.440 7.658 -8.781 1.00 0.00 C ATOM 294 CE LYS A 20 -0.372 9.173 -8.901 1.00 0.00 C ATOM 295 NZ LYS A 20 -1.047 9.676 -10.127 1.00 0.00 N ATOM 0 H LYS A 20 -1.572 8.576 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.172 6.196 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.608 7.630 -6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.382 8.881 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.231 7.430 -7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.102 6.090 -7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.086 7.201 -9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.479 7.333 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.834 9.625 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.672 9.488 -8.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.973 10.713 -10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.591 9.267 -10.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.050 9.401 -10.109 1.00 0.00 H new ATOM 309 N LYS A 21 1.622 8.837 -4.151 1.00 0.00 N ATOM 310 CA LYS A 21 2.963 9.277 -3.783 1.00 0.00 C ATOM 311 C LYS A 21 3.474 8.517 -2.569 1.00 0.00 C ATOM 312 O LYS A 21 4.640 8.145 -2.524 1.00 0.00 O ATOM 313 CB LYS A 21 2.990 10.780 -3.495 1.00 0.00 C ATOM 314 CG LYS A 21 2.921 11.667 -4.732 1.00 0.00 C ATOM 315 CD LYS A 21 4.155 11.517 -5.611 1.00 0.00 C ATOM 316 CE LYS A 21 4.009 10.385 -6.609 1.00 0.00 C ATOM 317 NZ LYS A 21 2.925 10.650 -7.594 1.00 0.00 N ATOM 0 H LYS A 21 0.896 9.536 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 21 3.616 9.069 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.153 11.026 -2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.902 11.015 -2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.032 11.415 -5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.818 12.708 -4.426 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.335 12.450 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.027 11.336 -4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.952 10.242 -7.137 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.798 9.457 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.306 9.817 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.367 11.471 -7.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.343 10.847 -8.526 1.00 0.00 H new ATOM 331 N ALA A 22 2.601 8.298 -1.591 1.00 0.00 N ATOM 332 CA ALA A 22 2.970 7.575 -0.378 1.00 0.00 C ATOM 333 C ALA A 22 3.425 6.162 -0.710 1.00 0.00 C ATOM 334 O ALA A 22 4.429 5.680 -0.182 1.00 0.00 O ATOM 335 CB ALA A 22 1.802 7.535 0.594 1.00 0.00 C ATOM 0 H ALA A 22 1.631 8.612 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 22 3.799 8.103 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.095 6.992 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.516 8.552 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.956 7.032 0.126 1.00 0.00 H new ATOM 341 N TYR A 23 2.679 5.505 -1.592 1.00 0.00 N ATOM 342 CA TYR A 23 3.050 4.183 -2.071 1.00 0.00 C ATOM 343 C TYR A 23 4.432 4.212 -2.717 1.00 0.00 C ATOM 344 O TYR A 23 5.293 3.402 -2.382 1.00 0.00 O ATOM 345 CB TYR A 23 1.992 3.654 -3.052 1.00 0.00 C ATOM 346 CG TYR A 23 2.550 2.767 -4.151 1.00 0.00 C ATOM 347 CD1 TYR A 23 2.917 1.451 -3.902 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.723 3.261 -5.437 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.438 0.654 -4.903 1.00 0.00 C ATOM 350 CE2 TYR A 23 3.248 2.473 -6.442 1.00 0.00 C ATOM 351 CZ TYR A 23 3.603 1.172 -6.170 1.00 0.00 C ATOM 352 OH TYR A 23 4.133 0.385 -7.167 1.00 0.00 O ATOM 0 H TYR A 23 1.813 5.869 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 23 3.094 3.504 -1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.243 3.093 -2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.481 4.501 -3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.793 1.044 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.442 4.281 -5.655 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.714 -0.369 -4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.379 2.876 -7.436 1.00 0.00 H new ATOM 0 HH TYR A 23 4.851 -0.171 -6.798 1.00 0.00 H new ATOM 362 N ARG A 24 4.647 5.163 -3.618 1.00 0.00 N ATOM 363 CA ARG A 24 5.919 5.267 -4.320 1.00 0.00 C ATOM 364 C ARG A 24 7.040 5.677 -3.371 1.00 0.00 C ATOM 365 O ARG A 24 8.183 5.265 -3.537 1.00 0.00 O ATOM 366 CB ARG A 24 5.817 6.247 -5.491 1.00 0.00 C ATOM 367 CG ARG A 24 4.996 5.716 -6.644 1.00 0.00 C ATOM 368 CD ARG A 24 4.967 6.709 -7.780 1.00 0.00 C ATOM 369 NE ARG A 24 6.270 6.841 -8.428 1.00 0.00 N ATOM 370 CZ ARG A 24 6.485 6.648 -9.730 1.00 0.00 C ATOM 371 NH1 ARG A 24 5.486 6.280 -10.528 1.00 0.00 N ATOM 372 NH2 ARG A 24 7.703 6.817 -10.230 1.00 0.00 N ATOM 0 H ARG A 24 3.960 5.870 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 24 6.160 4.282 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.376 7.179 -5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.820 6.484 -5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.415 4.771 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.980 5.510 -6.309 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.227 6.396 -8.516 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.650 7.681 -7.403 1.00 0.00 H new ATOM 0 HE ARG A 24 7.068 7.098 -7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.551 6.144 -10.145 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.656 6.134 -11.523 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.471 7.094 -9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.871 6.670 -11.225 1.00 0.00 H new ATOM 386 N ARG A 25 6.699 6.479 -2.375 1.00 0.00 N ATOM 387 CA ARG A 25 7.659 6.920 -1.369 1.00 0.00 C ATOM 388 C ARG A 25 8.188 5.745 -0.556 1.00 0.00 C ATOM 389 O ARG A 25 9.395 5.600 -0.365 1.00 0.00 O ATOM 390 CB ARG A 25 6.969 7.924 -0.444 1.00 0.00 C ATOM 391 CG ARG A 25 7.676 8.150 0.879 1.00 0.00 C ATOM 392 CD ARG A 25 6.767 8.853 1.875 1.00 0.00 C ATOM 393 NE ARG A 25 6.233 10.108 1.344 1.00 0.00 N ATOM 394 CZ ARG A 25 5.141 10.715 1.815 1.00 0.00 C ATOM 395 NH1 ARG A 25 4.418 10.157 2.780 1.00 0.00 N ATOM 396 NH2 ARG A 25 4.745 11.868 1.291 1.00 0.00 N ATOM 0 H ARG A 25 5.756 6.842 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 25 8.508 7.385 -1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.884 8.878 -0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.955 7.578 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.999 7.193 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.574 8.747 0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.942 8.192 2.141 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.322 9.055 2.791 1.00 0.00 H new ATOM 0 HE ARG A 25 6.726 10.546 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.695 9.256 3.169 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.586 10.630 3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.275 12.290 0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.911 12.332 1.651 1.00 0.00 H new ATOM 410 N LYS A 26 7.281 4.894 -0.115 1.00 0.00 N ATOM 411 CA LYS A 26 7.648 3.722 0.655 1.00 0.00 C ATOM 412 C LYS A 26 8.345 2.706 -0.240 1.00 0.00 C ATOM 413 O LYS A 26 9.329 2.082 0.152 1.00 0.00 O ATOM 414 CB LYS A 26 6.397 3.136 1.297 1.00 0.00 C ATOM 415 CG LYS A 26 6.660 1.949 2.195 1.00 0.00 C ATOM 416 CD LYS A 26 5.477 1.708 3.111 1.00 0.00 C ATOM 417 CE LYS A 26 5.344 2.823 4.147 1.00 0.00 C ATOM 418 NZ LYS A 26 4.228 2.585 5.101 1.00 0.00 N ATOM 0 H LYS A 26 6.279 4.994 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 26 8.347 3.998 1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.902 3.914 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.705 2.836 0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.847 1.062 1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.557 2.125 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.563 1.646 2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.595 0.750 3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.278 2.913 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.184 3.772 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.419 3.087 5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.339 2.935 4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.144 1.566 5.290 1.00 0.00 H new ATOM 432 N ALA A 27 7.821 2.559 -1.448 1.00 0.00 N ATOM 433 CA ALA A 27 8.454 1.744 -2.480 1.00 0.00 C ATOM 434 C ALA A 27 9.893 2.186 -2.735 1.00 0.00 C ATOM 435 O ALA A 27 10.769 1.365 -2.987 1.00 0.00 O ATOM 436 CB ALA A 27 7.654 1.821 -3.770 1.00 0.00 C ATOM 0 H ALA A 27 6.949 2.998 -1.742 1.00 0.00 H new ATOM 0 HA ALA A 27 8.474 0.713 -2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.135 1.209 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.643 1.453 -3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.609 2.856 -4.109 1.00 0.00 H new ATOM 442 N LEU A 28 10.126 3.493 -2.679 1.00 0.00 N ATOM 443 CA LEU A 28 11.463 4.044 -2.874 1.00 0.00 C ATOM 444 C LEU A 28 12.377 3.720 -1.698 1.00 0.00 C ATOM 445 O LEU A 28 13.569 3.475 -1.883 1.00 0.00 O ATOM 446 CB LEU A 28 11.405 5.554 -3.098 1.00 0.00 C ATOM 447 CG LEU A 28 11.742 6.012 -4.520 1.00 0.00 C ATOM 448 CD1 LEU A 28 13.182 5.658 -4.866 1.00 0.00 C ATOM 449 CD2 LEU A 28 10.783 5.390 -5.526 1.00 0.00 C ATOM 0 H LEU A 28 9.405 4.192 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 28 11.880 3.576 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.404 5.905 -2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.094 6.036 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 28 11.632 7.095 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.405 5.990 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.856 6.151 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 28 13.317 4.578 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.039 5.728 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.860 4.304 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.763 5.692 -5.291 1.00 0.00 H new ATOM 461 N GLN A 29 11.826 3.730 -0.492 1.00 0.00 N ATOM 462 CA GLN A 29 12.601 3.394 0.697 1.00 0.00 C ATOM 463 C GLN A 29 13.083 1.949 0.633 1.00 0.00 C ATOM 464 O GLN A 29 14.189 1.629 1.065 1.00 0.00 O ATOM 465 CB GLN A 29 11.770 3.602 1.963 1.00 0.00 C ATOM 466 CG GLN A 29 11.278 5.028 2.168 1.00 0.00 C ATOM 467 CD GLN A 29 12.398 6.035 2.383 1.00 0.00 C ATOM 468 OE1 GLN A 29 13.501 5.901 1.853 1.00 0.00 O ATOM 469 NE2 GLN A 29 12.122 7.044 3.189 1.00 0.00 N ATOM 0 H GLN A 29 10.850 3.966 -0.310 1.00 0.00 H new ATOM 0 HA GLN A 29 13.466 4.057 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.909 2.935 1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.367 3.309 2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.692 5.329 1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.609 5.052 3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.196 7.122 3.610 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.835 7.745 3.391 1.00 0.00 H new ATOM 478 N TRP A 30 12.253 1.085 0.070 1.00 0.00 N ATOM 479 CA TRP A 30 12.567 -0.335 -0.017 1.00 0.00 C ATOM 480 C TRP A 30 12.952 -0.714 -1.442 1.00 0.00 C ATOM 481 O TRP A 30 12.901 -1.883 -1.824 1.00 0.00 O ATOM 482 CB TRP A 30 11.382 -1.180 0.460 1.00 0.00 C ATOM 483 CG TRP A 30 10.909 -0.819 1.840 1.00 0.00 C ATOM 484 CD1 TRP A 30 9.636 -0.492 2.209 1.00 0.00 C ATOM 485 CD2 TRP A 30 11.706 -0.732 3.028 1.00 0.00 C ATOM 486 NE1 TRP A 30 9.590 -0.220 3.556 1.00 0.00 N ATOM 487 CE2 TRP A 30 10.849 -0.358 4.080 1.00 0.00 C ATOM 488 CE3 TRP A 30 13.062 -0.939 3.307 1.00 0.00 C ATOM 489 CZ2 TRP A 30 11.304 -0.183 5.386 1.00 0.00 C ATOM 490 CZ3 TRP A 30 13.510 -0.765 4.603 1.00 0.00 C ATOM 491 CH2 TRP A 30 12.633 -0.392 5.627 1.00 0.00 C ATOM 0 H TRP A 30 11.353 1.342 -0.335 1.00 0.00 H new ATOM 0 HA TRP A 30 13.418 -0.536 0.634 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.556 -1.063 -0.241 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.666 -2.232 0.445 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.789 -0.453 1.540 1.00 0.00 H new ATOM 0 HE1 TRP A 30 8.755 0.042 4.080 1.00 0.00 H new ATOM 0 HE3 TRP A 30 13.746 -1.230 2.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.631 0.107 6.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 14.555 -0.920 4.829 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.014 -0.266 6.630 1.00 0.00 H new ATOM 502 N HIS A 31 13.318 0.286 -2.230 1.00 0.00 N ATOM 503 CA HIS A 31 13.724 0.065 -3.609 1.00 0.00 C ATOM 504 C HIS A 31 15.099 -0.596 -3.618 1.00 0.00 C ATOM 505 O HIS A 31 15.955 -0.257 -2.812 1.00 0.00 O ATOM 506 CB HIS A 31 13.760 1.407 -4.355 1.00 0.00 C ATOM 507 CG HIS A 31 13.314 1.329 -5.785 1.00 0.00 C ATOM 508 ND1 HIS A 31 14.167 1.499 -6.852 1.00 0.00 N ATOM 509 CD2 HIS A 31 12.088 1.115 -6.319 1.00 0.00 C ATOM 510 CE1 HIS A 31 13.488 1.395 -7.980 1.00 0.00 C ATOM 511 NE2 HIS A 31 12.224 1.160 -7.686 1.00 0.00 N ATOM 0 H HIS A 31 13.342 1.262 -1.936 1.00 0.00 H new ATOM 0 HA HIS A 31 13.012 -0.589 -4.113 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.127 2.120 -3.827 1.00 0.00 H new ATOM 0 HB3 HIS A 31 14.776 1.800 -4.324 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.169 1.678 -6.782 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.173 0.941 -5.772 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.898 1.487 -8.975 1.00 0.00 H new ATOM 520 N PRO A 32 15.315 -1.549 -4.548 1.00 0.00 N ATOM 521 CA PRO A 32 16.477 -2.457 -4.539 1.00 0.00 C ATOM 522 C PRO A 32 17.826 -1.746 -4.503 1.00 0.00 C ATOM 523 O PRO A 32 18.789 -2.280 -3.958 1.00 0.00 O ATOM 524 CB PRO A 32 16.337 -3.246 -5.849 1.00 0.00 C ATOM 525 CG PRO A 32 15.364 -2.475 -6.668 1.00 0.00 C ATOM 526 CD PRO A 32 14.433 -1.836 -5.687 1.00 0.00 C ATOM 0 HA PRO A 32 16.471 -3.070 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 32 17.296 -3.336 -6.359 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.979 -4.258 -5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.870 -1.724 -7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.824 -3.128 -7.354 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.981 -0.929 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.617 -2.503 -5.410 1.00 0.00 H new ATOM 534 N ASP A 33 17.894 -0.564 -5.094 1.00 0.00 N ATOM 535 CA ASP A 33 19.118 0.235 -5.076 1.00 0.00 C ATOM 536 C ASP A 33 19.393 0.791 -3.682 1.00 0.00 C ATOM 537 O ASP A 33 20.546 0.907 -3.260 1.00 0.00 O ATOM 538 CB ASP A 33 19.025 1.375 -6.092 1.00 0.00 C ATOM 539 CG ASP A 33 17.754 2.183 -5.948 1.00 0.00 C ATOM 540 OD1 ASP A 33 16.720 1.761 -6.509 1.00 0.00 O ATOM 541 OD2 ASP A 33 17.771 3.234 -5.281 1.00 0.00 O ATOM 0 H ASP A 33 17.117 -0.132 -5.594 1.00 0.00 H new ATOM 0 HA ASP A 33 19.948 -0.416 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 33 19.885 2.034 -5.972 1.00 0.00 H new ATOM 0 HB3 ASP A 33 19.077 0.963 -7.100 1.00 0.00 H new ATOM 546 N LYS A 34 18.327 1.117 -2.967 1.00 0.00 N ATOM 547 CA LYS A 34 18.434 1.645 -1.617 1.00 0.00 C ATOM 548 C LYS A 34 18.411 0.505 -0.606 1.00 0.00 C ATOM 549 O LYS A 34 18.523 0.718 0.602 1.00 0.00 O ATOM 550 CB LYS A 34 17.273 2.598 -1.345 1.00 0.00 C ATOM 551 CG LYS A 34 17.679 3.845 -0.587 1.00 0.00 C ATOM 552 CD LYS A 34 18.732 4.619 -1.355 1.00 0.00 C ATOM 553 CE LYS A 34 18.979 5.984 -0.742 1.00 0.00 C ATOM 554 NZ LYS A 34 17.769 6.846 -0.788 1.00 0.00 N ATOM 0 H LYS A 34 17.369 1.023 -3.304 1.00 0.00 H new ATOM 0 HA LYS A 34 19.376 2.185 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.823 2.890 -2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 34 16.506 2.071 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.806 4.476 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.066 3.570 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.663 4.052 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 34 18.414 4.737 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.298 5.863 0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.794 6.476 -1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.047 7.841 -0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.293 6.728 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.119 6.573 -0.023 1.00 0.00 H new ATOM 568 N ASN A 35 18.287 -0.706 -1.120 1.00 0.00 N ATOM 569 CA ASN A 35 18.179 -1.897 -0.295 1.00 0.00 C ATOM 570 C ASN A 35 19.515 -2.638 -0.290 1.00 0.00 C ATOM 571 O ASN A 35 20.206 -2.678 -1.310 1.00 0.00 O ATOM 572 CB ASN A 35 17.063 -2.797 -0.847 1.00 0.00 C ATOM 573 CG ASN A 35 16.900 -4.078 -0.062 1.00 0.00 C ATOM 574 OD1 ASN A 35 17.537 -5.081 -0.358 1.00 0.00 O ATOM 575 ND2 ASN A 35 16.046 -4.050 0.948 1.00 0.00 N ATOM 0 H ASN A 35 18.258 -0.892 -2.123 1.00 0.00 H new ATOM 0 HA ASN A 35 17.932 -1.619 0.730 1.00 0.00 H new ATOM 0 HB2 ASN A 35 16.121 -2.248 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 35 17.279 -3.039 -1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.898 -4.885 1.514 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.535 -3.193 1.161 1.00 0.00 H new ATOM 582 N PRO A 36 19.919 -3.210 0.859 1.00 0.00 N ATOM 583 CA PRO A 36 21.200 -3.905 0.981 1.00 0.00 C ATOM 584 C PRO A 36 21.193 -5.280 0.306 1.00 0.00 C ATOM 585 O PRO A 36 20.978 -5.390 -0.901 1.00 0.00 O ATOM 586 CB PRO A 36 21.376 -4.033 2.491 1.00 0.00 C ATOM 587 CG PRO A 36 19.988 -4.141 3.001 1.00 0.00 C ATOM 588 CD PRO A 36 19.170 -3.222 2.132 1.00 0.00 C ATOM 0 HA PRO A 36 22.011 -3.369 0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.967 -4.911 2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.889 -3.167 2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 36 19.625 -5.167 2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 36 19.930 -3.846 4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.154 -3.592 1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.091 -2.224 2.563 1.00 0.00 H new ATOM 596 N ASP A 37 21.456 -6.328 1.076 1.00 0.00 N ATOM 597 CA ASP A 37 21.542 -7.670 0.511 1.00 0.00 C ATOM 598 C ASP A 37 20.269 -8.471 0.732 1.00 0.00 C ATOM 599 O ASP A 37 20.112 -9.561 0.184 1.00 0.00 O ATOM 600 CB ASP A 37 22.749 -8.419 1.064 1.00 0.00 C ATOM 601 CG ASP A 37 24.044 -7.915 0.466 1.00 0.00 C ATOM 602 OD1 ASP A 37 24.363 -8.304 -0.676 1.00 0.00 O ATOM 603 OD2 ASP A 37 24.736 -7.106 1.119 1.00 0.00 O ATOM 0 H ASP A 37 21.612 -6.277 2.083 1.00 0.00 H new ATOM 0 HA ASP A 37 21.668 -7.552 -0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.781 -8.307 2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 37 22.643 -9.484 0.856 1.00 0.00 H new ATOM 608 N ASN A 38 19.355 -7.934 1.524 1.00 0.00 N ATOM 609 CA ASN A 38 18.091 -8.610 1.769 1.00 0.00 C ATOM 610 C ASN A 38 16.972 -7.937 0.999 1.00 0.00 C ATOM 611 O ASN A 38 16.444 -6.910 1.419 1.00 0.00 O ATOM 612 CB ASN A 38 17.758 -8.643 3.262 1.00 0.00 C ATOM 613 CG ASN A 38 18.427 -9.798 3.978 1.00 0.00 C ATOM 614 OD1 ASN A 38 18.679 -10.847 3.386 1.00 0.00 O ATOM 615 ND2 ASN A 38 18.714 -9.625 5.258 1.00 0.00 N ATOM 0 H ASN A 38 19.462 -7.041 2.004 1.00 0.00 H new ATOM 0 HA ASN A 38 18.191 -9.638 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 38 18.069 -7.705 3.722 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.678 -8.717 3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.159 -10.375 5.787 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.490 -8.741 5.716 1.00 0.00 H new ATOM 622 N LYS A 39 16.602 -8.536 -0.117 1.00 0.00 N ATOM 623 CA LYS A 39 15.577 -7.977 -0.983 1.00 0.00 C ATOM 624 C LYS A 39 14.233 -8.621 -0.691 1.00 0.00 C ATOM 625 O LYS A 39 13.188 -8.079 -1.050 1.00 0.00 O ATOM 626 CB LYS A 39 15.946 -8.163 -2.460 1.00 0.00 C ATOM 627 CG LYS A 39 16.920 -7.115 -2.990 1.00 0.00 C ATOM 628 CD LYS A 39 18.308 -7.249 -2.375 1.00 0.00 C ATOM 629 CE LYS A 39 19.136 -8.323 -3.059 1.00 0.00 C ATOM 630 NZ LYS A 39 19.491 -7.947 -4.452 1.00 0.00 N ATOM 0 H LYS A 39 16.998 -9.416 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 39 15.507 -6.908 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.384 -9.152 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.035 -8.134 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.995 -7.208 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 39 16.528 -6.120 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.828 -6.293 -2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.213 -7.485 -1.315 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.047 -8.498 -2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.580 -9.260 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.308 -8.509 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.682 -8.132 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.733 -6.936 -4.488 1.00 0.00 H new ATOM 644 N GLU A 40 14.279 -9.772 -0.025 1.00 0.00 N ATOM 645 CA GLU A 40 13.078 -10.539 0.301 1.00 0.00 C ATOM 646 C GLU A 40 12.044 -9.677 1.031 1.00 0.00 C ATOM 647 O GLU A 40 10.866 -9.666 0.673 1.00 0.00 O ATOM 648 CB GLU A 40 13.464 -11.724 1.192 1.00 0.00 C ATOM 649 CG GLU A 40 12.311 -12.659 1.535 1.00 0.00 C ATOM 650 CD GLU A 40 11.912 -13.555 0.382 1.00 0.00 C ATOM 651 OE1 GLU A 40 11.139 -13.114 -0.488 1.00 0.00 O ATOM 652 OE2 GLU A 40 12.362 -14.720 0.352 1.00 0.00 O ATOM 0 H GLU A 40 15.146 -10.199 0.303 1.00 0.00 H new ATOM 0 HA GLU A 40 12.634 -10.889 -0.631 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.245 -12.298 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.893 -11.341 2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.593 -13.277 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.449 -12.066 1.842 1.00 0.00 H new ATOM 659 N PHE A 41 12.490 -8.930 2.033 1.00 0.00 N ATOM 660 CA PHE A 41 11.579 -8.073 2.779 1.00 0.00 C ATOM 661 C PHE A 41 11.182 -6.856 1.946 1.00 0.00 C ATOM 662 O PHE A 41 10.038 -6.409 2.000 1.00 0.00 O ATOM 663 CB PHE A 41 12.153 -7.665 4.152 1.00 0.00 C ATOM 664 CG PHE A 41 13.190 -6.572 4.139 1.00 0.00 C ATOM 665 CD1 PHE A 41 12.811 -5.244 4.259 1.00 0.00 C ATOM 666 CD2 PHE A 41 14.538 -6.868 4.033 1.00 0.00 C ATOM 667 CE1 PHE A 41 13.755 -4.235 4.269 1.00 0.00 C ATOM 668 CE2 PHE A 41 15.487 -5.862 4.047 1.00 0.00 C ATOM 669 CZ PHE A 41 15.095 -4.546 4.164 1.00 0.00 C ATOM 0 H PHE A 41 13.461 -8.900 2.344 1.00 0.00 H new ATOM 0 HA PHE A 41 10.678 -8.651 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.327 -7.347 4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.591 -8.548 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.764 -4.995 4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 41 14.852 -7.897 3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.444 -3.205 4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 41 16.536 -6.108 3.966 1.00 0.00 H new ATOM 0 HZ PHE A 41 15.835 -3.760 4.173 1.00 0.00 H new ATOM 679 N ALA A 42 12.126 -6.333 1.165 1.00 0.00 N ATOM 680 CA ALA A 42 11.878 -5.141 0.359 1.00 0.00 C ATOM 681 C ALA A 42 10.777 -5.387 -0.666 1.00 0.00 C ATOM 682 O ALA A 42 9.861 -4.579 -0.811 1.00 0.00 O ATOM 683 CB ALA A 42 13.156 -4.703 -0.341 1.00 0.00 C ATOM 0 H ALA A 42 13.067 -6.716 1.074 1.00 0.00 H new ATOM 0 HA ALA A 42 11.547 -4.346 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 42 12.957 -3.813 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.919 -4.477 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.508 -5.505 -0.990 1.00 0.00 H new ATOM 689 N GLU A 43 10.850 -6.520 -1.354 1.00 0.00 N ATOM 690 CA GLU A 43 9.839 -6.864 -2.344 1.00 0.00 C ATOM 691 C GLU A 43 8.514 -7.185 -1.664 1.00 0.00 C ATOM 692 O GLU A 43 7.448 -6.841 -2.174 1.00 0.00 O ATOM 693 CB GLU A 43 10.288 -8.033 -3.223 1.00 0.00 C ATOM 694 CG GLU A 43 10.643 -9.288 -2.451 1.00 0.00 C ATOM 695 CD GLU A 43 10.873 -10.472 -3.362 1.00 0.00 C ATOM 696 OE1 GLU A 43 11.876 -10.469 -4.107 1.00 0.00 O ATOM 697 OE2 GLU A 43 10.038 -11.398 -3.355 1.00 0.00 O ATOM 0 H GLU A 43 11.593 -7.211 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 43 9.701 -5.998 -2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.493 -8.268 -3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.154 -7.722 -3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.540 -9.107 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.841 -9.521 -1.751 1.00 0.00 H new ATOM 704 N LYS A 44 8.585 -7.846 -0.512 1.00 0.00 N ATOM 705 CA LYS A 44 7.388 -8.182 0.247 1.00 0.00 C ATOM 706 C LYS A 44 6.646 -6.914 0.645 1.00 0.00 C ATOM 707 O LYS A 44 5.434 -6.821 0.473 1.00 0.00 O ATOM 708 CB LYS A 44 7.746 -8.997 1.491 1.00 0.00 C ATOM 709 CG LYS A 44 6.878 -10.232 1.670 1.00 0.00 C ATOM 710 CD LYS A 44 7.009 -11.173 0.480 1.00 0.00 C ATOM 711 CE LYS A 44 8.443 -11.644 0.300 1.00 0.00 C ATOM 712 NZ LYS A 44 8.637 -12.391 -0.968 1.00 0.00 N ATOM 0 H LYS A 44 9.457 -8.158 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 44 6.739 -8.788 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.791 -9.301 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.650 -8.363 2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.166 -10.753 2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.836 -9.934 1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.357 -12.035 0.622 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.675 -10.666 -0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.111 -10.783 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.722 -12.280 1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.479 -12.996 -0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.802 -12.982 -1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.766 -11.719 -1.751 1.00 0.00 H new ATOM 726 N LYS A 45 7.394 -5.930 1.143 1.00 0.00 N ATOM 727 CA LYS A 45 6.819 -4.653 1.544 1.00 0.00 C ATOM 728 C LYS A 45 6.277 -3.916 0.332 1.00 0.00 C ATOM 729 O LYS A 45 5.215 -3.296 0.392 1.00 0.00 O ATOM 730 CB LYS A 45 7.860 -3.784 2.253 1.00 0.00 C ATOM 731 CG LYS A 45 8.266 -4.314 3.615 1.00 0.00 C ATOM 732 CD LYS A 45 7.054 -4.556 4.488 1.00 0.00 C ATOM 733 CE LYS A 45 7.453 -4.842 5.922 1.00 0.00 C ATOM 734 NZ LYS A 45 6.276 -5.053 6.804 1.00 0.00 N ATOM 0 H LYS A 45 8.403 -5.996 1.277 1.00 0.00 H new ATOM 0 HA LYS A 45 6.003 -4.854 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.746 -3.707 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.462 -2.776 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.824 -5.243 3.496 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.933 -3.602 4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.402 -3.683 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.482 -5.396 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.089 -5.727 5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.046 -4.011 6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.599 -5.245 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.682 -4.200 6.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.723 -5.862 6.457 1.00 0.00 H new ATOM 748 N PHE A 46 7.015 -4.005 -0.768 1.00 0.00 N ATOM 749 CA PHE A 46 6.608 -3.391 -2.027 1.00 0.00 C ATOM 750 C PHE A 46 5.261 -3.946 -2.472 1.00 0.00 C ATOM 751 O PHE A 46 4.403 -3.211 -2.953 1.00 0.00 O ATOM 752 CB PHE A 46 7.673 -3.641 -3.100 1.00 0.00 C ATOM 753 CG PHE A 46 7.344 -3.053 -4.444 1.00 0.00 C ATOM 754 CD1 PHE A 46 7.569 -1.710 -4.699 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.815 -3.845 -5.452 1.00 0.00 C ATOM 756 CE1 PHE A 46 7.270 -1.166 -5.933 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.514 -3.306 -6.689 1.00 0.00 C ATOM 758 CZ PHE A 46 6.742 -1.964 -6.929 1.00 0.00 C ATOM 0 H PHE A 46 7.905 -4.500 -0.813 1.00 0.00 H new ATOM 0 HA PHE A 46 6.506 -2.316 -1.880 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.622 -3.228 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.815 -4.716 -3.211 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.983 -1.081 -3.924 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.636 -4.894 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.449 -0.117 -6.119 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.102 -3.932 -7.466 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.508 -1.540 -7.894 1.00 0.00 H new ATOM 768 N LYS A 47 5.080 -5.246 -2.294 1.00 0.00 N ATOM 769 CA LYS A 47 3.830 -5.899 -2.653 1.00 0.00 C ATOM 770 C LYS A 47 2.699 -5.443 -1.734 1.00 0.00 C ATOM 771 O LYS A 47 1.585 -5.186 -2.193 1.00 0.00 O ATOM 772 CB LYS A 47 3.978 -7.420 -2.574 1.00 0.00 C ATOM 773 CG LYS A 47 2.744 -8.177 -3.041 1.00 0.00 C ATOM 774 CD LYS A 47 2.499 -7.981 -4.528 1.00 0.00 C ATOM 775 CE LYS A 47 3.573 -8.661 -5.367 1.00 0.00 C ATOM 776 NZ LYS A 47 3.573 -10.136 -5.178 1.00 0.00 N ATOM 0 H LYS A 47 5.785 -5.871 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 47 3.585 -5.618 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.832 -7.725 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.199 -7.702 -1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.865 -9.239 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.873 -7.837 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.521 -8.383 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.478 -6.915 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.412 -8.430 -6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.551 -8.261 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.114 -10.584 -5.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.011 -10.369 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.594 -10.488 -5.193 1.00 0.00 H new ATOM 790 N GLU A 48 3.003 -5.319 -0.446 1.00 0.00 N ATOM 791 CA GLU A 48 1.994 -4.971 0.551 1.00 0.00 C ATOM 792 C GLU A 48 1.429 -3.583 0.293 1.00 0.00 C ATOM 793 O GLU A 48 0.216 -3.377 0.348 1.00 0.00 O ATOM 794 CB GLU A 48 2.593 -5.017 1.957 1.00 0.00 C ATOM 795 CG GLU A 48 3.137 -6.378 2.348 1.00 0.00 C ATOM 796 CD GLU A 48 2.067 -7.443 2.403 1.00 0.00 C ATOM 797 OE1 GLU A 48 1.459 -7.615 3.479 1.00 0.00 O ATOM 798 OE2 GLU A 48 1.842 -8.126 1.383 1.00 0.00 O ATOM 0 H GLU A 48 3.940 -5.454 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 48 1.188 -5.701 0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.396 -4.283 2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.830 -4.721 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.904 -6.677 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.620 -6.305 3.322 1.00 0.00 H new ATOM 805 N VAL A 49 2.306 -2.630 0.003 1.00 0.00 N ATOM 806 CA VAL A 49 1.868 -1.273 -0.281 1.00 0.00 C ATOM 807 C VAL A 49 1.191 -1.197 -1.646 1.00 0.00 C ATOM 808 O VAL A 49 0.201 -0.489 -1.811 1.00 0.00 O ATOM 809 CB VAL A 49 3.031 -0.254 -0.197 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.170 -0.643 -1.126 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.543 1.148 -0.518 1.00 0.00 C ATOM 0 H VAL A 49 3.315 -2.771 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 49 1.143 -1.004 0.488 1.00 0.00 H new ATOM 0 HB VAL A 49 3.408 -0.265 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.972 0.091 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.548 -1.626 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.807 -0.673 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.377 1.847 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.131 1.168 -1.527 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.771 1.437 0.195 1.00 0.00 H new ATOM 821 N ALA A 50 1.709 -1.942 -2.614 1.00 0.00 N ATOM 822 CA ALA A 50 1.167 -1.908 -3.965 1.00 0.00 C ATOM 823 C ALA A 50 -0.289 -2.349 -3.998 1.00 0.00 C ATOM 824 O ALA A 50 -1.125 -1.689 -4.609 1.00 0.00 O ATOM 825 CB ALA A 50 1.993 -2.784 -4.887 1.00 0.00 C ATOM 0 H ALA A 50 2.500 -2.574 -2.489 1.00 0.00 H new ATOM 0 HA ALA A 50 1.213 -0.875 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.576 -2.748 -5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.021 -2.423 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.977 -3.812 -4.524 1.00 0.00 H new ATOM 831 N GLU A 51 -0.599 -3.444 -3.315 1.00 0.00 N ATOM 832 CA GLU A 51 -1.967 -3.945 -3.283 1.00 0.00 C ATOM 833 C GLU A 51 -2.852 -3.051 -2.426 1.00 0.00 C ATOM 834 O GLU A 51 -4.005 -2.788 -2.766 1.00 0.00 O ATOM 835 CB GLU A 51 -2.022 -5.384 -2.767 1.00 0.00 C ATOM 836 CG GLU A 51 -1.547 -5.556 -1.332 1.00 0.00 C ATOM 837 CD GLU A 51 -1.751 -6.972 -0.830 1.00 0.00 C ATOM 838 OE1 GLU A 51 -1.258 -7.917 -1.484 1.00 0.00 O ATOM 839 OE2 GLU A 51 -2.413 -7.149 0.218 1.00 0.00 O ATOM 0 H GLU A 51 0.071 -3.997 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.342 -3.934 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.048 -5.745 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.413 -6.013 -3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.490 -5.297 -1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.085 -4.862 -0.687 1.00 0.00 H new ATOM 846 N ALA A 52 -2.293 -2.576 -1.322 1.00 0.00 N ATOM 847 CA ALA A 52 -3.041 -1.787 -0.361 1.00 0.00 C ATOM 848 C ALA A 52 -3.360 -0.399 -0.900 1.00 0.00 C ATOM 849 O ALA A 52 -4.434 0.140 -0.650 1.00 0.00 O ATOM 850 CB ALA A 52 -2.269 -1.712 0.941 1.00 0.00 C ATOM 0 H ALA A 52 -1.316 -2.726 -1.071 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.997 -2.276 -0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.830 -1.119 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.120 -2.718 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.300 -1.245 0.763 1.00 0.00 H new ATOM 856 N TYR A 53 -2.430 0.179 -1.645 1.00 0.00 N ATOM 857 CA TYR A 53 -2.668 1.466 -2.277 1.00 0.00 C ATOM 858 C TYR A 53 -3.638 1.300 -3.446 1.00 0.00 C ATOM 859 O TYR A 53 -4.495 2.153 -3.682 1.00 0.00 O ATOM 860 CB TYR A 53 -1.339 2.100 -2.727 1.00 0.00 C ATOM 861 CG TYR A 53 -1.239 2.374 -4.214 1.00 0.00 C ATOM 862 CD1 TYR A 53 -1.715 3.562 -4.751 1.00 0.00 C ATOM 863 CD2 TYR A 53 -0.672 1.444 -5.079 1.00 0.00 C ATOM 864 CE1 TYR A 53 -1.637 3.815 -6.105 1.00 0.00 C ATOM 865 CE2 TYR A 53 -0.588 1.693 -6.435 1.00 0.00 C ATOM 866 CZ TYR A 53 -1.072 2.881 -6.942 1.00 0.00 C ATOM 867 OH TYR A 53 -0.995 3.134 -8.293 1.00 0.00 O ATOM 0 H TYR A 53 -1.509 -0.220 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.124 2.143 -1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.199 3.037 -2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.521 1.440 -2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.154 4.301 -4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.292 0.513 -4.684 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.018 4.743 -6.506 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.146 0.961 -7.095 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.568 2.376 -8.744 1.00 0.00 H new ATOM 877 N GLU A 54 -3.507 0.185 -4.158 1.00 0.00 N ATOM 878 CA GLU A 54 -4.357 -0.117 -5.303 1.00 0.00 C ATOM 879 C GLU A 54 -5.821 -0.189 -4.878 1.00 0.00 C ATOM 880 O GLU A 54 -6.689 0.416 -5.510 1.00 0.00 O ATOM 881 CB GLU A 54 -3.897 -1.437 -5.941 1.00 0.00 C ATOM 882 CG GLU A 54 -4.648 -1.844 -7.201 1.00 0.00 C ATOM 883 CD GLU A 54 -5.928 -2.608 -6.919 1.00 0.00 C ATOM 884 OE1 GLU A 54 -5.885 -3.597 -6.161 1.00 0.00 O ATOM 885 OE2 GLU A 54 -6.980 -2.248 -7.487 1.00 0.00 O ATOM 0 H GLU A 54 -2.810 -0.533 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.270 0.679 -6.042 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.836 -1.357 -6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.998 -2.233 -5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.887 -0.950 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.996 -2.459 -7.821 1.00 0.00 H new ATOM 892 N VAL A 55 -6.082 -0.911 -3.796 1.00 0.00 N ATOM 893 CA VAL A 55 -7.437 -1.043 -3.281 1.00 0.00 C ATOM 894 C VAL A 55 -7.931 0.279 -2.683 1.00 0.00 C ATOM 895 O VAL A 55 -9.087 0.652 -2.861 1.00 0.00 O ATOM 896 CB VAL A 55 -7.548 -2.192 -2.237 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.644 -1.959 -1.038 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.987 -2.382 -1.782 1.00 0.00 C ATOM 0 H VAL A 55 -5.374 -1.413 -3.260 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.078 -1.299 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.215 -3.104 -2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.753 -2.784 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.607 -1.899 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.922 -1.026 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.034 -3.191 -1.053 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.349 -1.461 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.610 -2.631 -2.641 1.00 0.00 H new ATOM 908 N LEU A 56 -7.040 0.998 -2.011 1.00 0.00 N ATOM 909 CA LEU A 56 -7.413 2.210 -1.282 1.00 0.00 C ATOM 910 C LEU A 56 -7.748 3.367 -2.226 1.00 0.00 C ATOM 911 O LEU A 56 -8.582 4.213 -1.899 1.00 0.00 O ATOM 912 CB LEU A 56 -6.269 2.592 -0.321 1.00 0.00 C ATOM 913 CG LEU A 56 -6.563 3.686 0.717 1.00 0.00 C ATOM 914 CD1 LEU A 56 -5.590 3.573 1.877 1.00 0.00 C ATOM 915 CD2 LEU A 56 -6.456 5.077 0.113 1.00 0.00 C ATOM 0 H LEU A 56 -6.049 0.763 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.318 2.006 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.961 1.693 0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.417 2.914 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.585 3.540 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.804 4.352 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.695 2.595 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.571 3.691 1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.671 5.823 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.447 5.230 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.173 5.176 -0.702 1.00 0.00 H new ATOM 927 N SER A 57 -7.138 3.388 -3.399 1.00 0.00 N ATOM 928 CA SER A 57 -7.303 4.511 -4.316 1.00 0.00 C ATOM 929 C SER A 57 -8.629 4.429 -5.069 1.00 0.00 C ATOM 930 O SER A 57 -9.113 5.432 -5.604 1.00 0.00 O ATOM 931 CB SER A 57 -6.144 4.553 -5.316 1.00 0.00 C ATOM 932 OG SER A 57 -4.894 4.586 -4.648 1.00 0.00 O ATOM 0 H SER A 57 -6.527 2.646 -3.741 1.00 0.00 H new ATOM 0 HA SER A 57 -7.305 5.425 -3.722 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.189 3.680 -5.967 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.242 5.431 -5.954 1.00 0.00 H new ATOM 0 HG SER A 57 -4.709 3.707 -4.256 1.00 0.00 H new ATOM 938 N ASP A 58 -9.218 3.243 -5.110 1.00 0.00 N ATOM 939 CA ASP A 58 -10.446 3.045 -5.867 1.00 0.00 C ATOM 940 C ASP A 58 -11.620 2.746 -4.951 1.00 0.00 C ATOM 941 O ASP A 58 -11.533 1.911 -4.054 1.00 0.00 O ATOM 942 CB ASP A 58 -10.289 1.932 -6.897 1.00 0.00 C ATOM 943 CG ASP A 58 -11.580 1.675 -7.651 1.00 0.00 C ATOM 944 OD1 ASP A 58 -12.197 2.643 -8.145 1.00 0.00 O ATOM 945 OD2 ASP A 58 -11.993 0.509 -7.747 1.00 0.00 O ATOM 0 H ASP A 58 -8.870 2.411 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.650 3.977 -6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.503 2.199 -7.603 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.972 1.017 -6.397 1.00 0.00 H new ATOM 950 N LYS A 59 -12.725 3.432 -5.210 1.00 0.00 N ATOM 951 CA LYS A 59 -13.928 3.303 -4.400 1.00 0.00 C ATOM 952 C LYS A 59 -14.509 1.900 -4.512 1.00 0.00 C ATOM 953 O LYS A 59 -15.062 1.373 -3.549 1.00 0.00 O ATOM 954 CB LYS A 59 -15.000 4.313 -4.830 1.00 0.00 C ATOM 955 CG LYS A 59 -14.505 5.744 -4.994 1.00 0.00 C ATOM 956 CD LYS A 59 -14.151 6.062 -6.443 1.00 0.00 C ATOM 957 CE LYS A 59 -15.358 5.932 -7.365 1.00 0.00 C ATOM 958 NZ LYS A 59 -16.450 6.880 -7.011 1.00 0.00 N ATOM 0 H LYS A 59 -12.813 4.091 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.640 3.501 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -15.431 3.983 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.803 4.304 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.273 6.436 -4.648 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.629 5.899 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.754 7.075 -6.506 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.363 5.389 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.046 6.110 -8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.738 4.911 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -17.180 6.861 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.872 6.600 -6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.062 7.842 -6.931 1.00 0.00 H new ATOM 972 N HIS A 60 -14.382 1.303 -5.694 1.00 0.00 N ATOM 973 CA HIS A 60 -14.945 -0.024 -5.942 1.00 0.00 C ATOM 974 C HIS A 60 -14.186 -1.070 -5.147 1.00 0.00 C ATOM 975 O HIS A 60 -14.778 -1.935 -4.506 1.00 0.00 O ATOM 976 CB HIS A 60 -14.870 -0.397 -7.427 1.00 0.00 C ATOM 977 CG HIS A 60 -15.399 0.648 -8.362 1.00 0.00 C ATOM 978 ND1 HIS A 60 -14.603 1.625 -8.919 1.00 0.00 N ATOM 979 CD2 HIS A 60 -16.642 0.850 -8.861 1.00 0.00 C ATOM 980 CE1 HIS A 60 -15.329 2.380 -9.718 1.00 0.00 C ATOM 981 NE2 HIS A 60 -16.571 1.936 -9.705 1.00 0.00 N ATOM 0 H HIS A 60 -13.897 1.713 -6.492 1.00 0.00 H new ATOM 0 HA HIS A 60 -15.990 0.004 -5.634 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -13.831 -0.603 -7.684 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -15.426 -1.321 -7.584 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -13.606 1.745 -8.740 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -17.524 0.268 -8.639 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -14.967 3.222 -10.289 1.00 0.00 H new ATOM 990 N LYS A 61 -12.868 -0.961 -5.169 1.00 0.00 N ATOM 991 CA LYS A 61 -12.015 -1.932 -4.515 1.00 0.00 C ATOM 992 C LYS A 61 -12.208 -1.919 -3.003 1.00 0.00 C ATOM 993 O LYS A 61 -12.204 -2.972 -2.370 1.00 0.00 O ATOM 994 CB LYS A 61 -10.546 -1.679 -4.864 1.00 0.00 C ATOM 995 CG LYS A 61 -10.243 -1.730 -6.357 1.00 0.00 C ATOM 996 CD LYS A 61 -10.710 -3.034 -6.986 1.00 0.00 C ATOM 997 CE LYS A 61 -10.035 -4.235 -6.346 1.00 0.00 C ATOM 998 NZ LYS A 61 -8.604 -4.350 -6.733 1.00 0.00 N ATOM 0 H LYS A 61 -12.366 -0.205 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.300 -2.919 -4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.255 -0.702 -4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.930 -2.419 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.730 -0.892 -6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.171 -1.615 -6.514 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.791 -3.124 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.495 -3.021 -8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.111 -4.156 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.562 -5.143 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.038 -4.607 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.499 -5.085 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.272 -3.439 -7.109 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.399 -0.733 -2.431 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.534 -0.603 -0.981 1.00 0.00 C ATOM 1014 C ARG A 62 -13.805 -1.276 -0.476 1.00 0.00 C ATOM 1015 O ARG A 62 -13.772 -2.010 0.514 1.00 0.00 O ATOM 1016 CB ARG A 62 -12.523 0.866 -0.565 1.00 0.00 C ATOM 1017 CG ARG A 62 -11.226 1.577 -0.902 1.00 0.00 C ATOM 1018 CD ARG A 62 -11.217 3.007 -0.389 1.00 0.00 C ATOM 1019 NE ARG A 62 -12.342 3.790 -0.902 1.00 0.00 N ATOM 1020 CZ ARG A 62 -12.268 5.077 -1.230 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -11.094 5.703 -1.217 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -13.365 5.730 -1.601 1.00 0.00 N ATOM 0 H ARG A 62 -12.464 0.146 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 62 -11.679 -1.106 -0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.349 1.381 -1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -12.697 0.933 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.388 1.030 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.082 1.577 -1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.250 3.000 0.700 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.282 3.488 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.240 3.319 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.249 5.196 -0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.039 6.690 -1.469 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.261 5.244 -1.634 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.310 6.717 -1.853 1.00 0.00 H new ATOM 1036 N GLU A 63 -14.920 -1.041 -1.156 1.00 0.00 N ATOM 1037 CA GLU A 63 -16.183 -1.639 -0.745 1.00 0.00 C ATOM 1038 C GLU A 63 -16.196 -3.138 -1.036 1.00 0.00 C ATOM 1039 O GLU A 63 -16.799 -3.919 -0.295 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.368 -0.941 -1.415 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.273 -0.860 -2.927 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.487 -0.200 -3.539 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -18.559 1.046 -3.535 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -19.385 -0.926 -4.012 1.00 0.00 O ATOM 0 H GLU A 63 -14.976 -0.448 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.282 -1.503 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -18.284 -1.469 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.454 0.069 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.379 -0.301 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.161 -1.864 -3.337 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.520 -3.540 -2.107 1.00 0.00 N ATOM 1052 CA ILE A 64 -15.363 -4.955 -2.414 1.00 0.00 C ATOM 1053 C ILE A 64 -14.496 -5.623 -1.351 1.00 0.00 C ATOM 1054 O ILE A 64 -14.739 -6.765 -0.967 1.00 0.00 O ATOM 1055 CB ILE A 64 -14.754 -5.178 -3.820 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -15.744 -4.740 -4.903 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -14.352 -6.634 -4.029 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -17.057 -5.496 -4.879 1.00 0.00 C ATOM 0 H ILE A 64 -15.075 -2.909 -2.773 1.00 0.00 H new ATOM 0 HA ILE A 64 -16.355 -5.408 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.853 -4.569 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -15.947 -3.675 -4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -15.279 -4.870 -5.880 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.928 -6.755 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.610 -6.917 -3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -15.230 -7.272 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.703 -5.128 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.868 -6.559 -5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.546 -5.346 -3.916 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.503 -4.892 -0.860 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.653 -5.377 0.220 1.00 0.00 C ATOM 1072 C TYR A 65 -13.474 -5.597 1.486 1.00 0.00 C ATOM 1073 O TYR A 65 -13.231 -6.538 2.238 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.509 -4.390 0.489 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.709 -4.706 1.734 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -9.887 -5.824 1.796 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -10.787 -3.887 2.853 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -9.166 -6.118 2.938 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -10.071 -4.173 3.998 1.00 0.00 C ATOM 1080 CZ TYR A 65 -9.261 -5.288 4.035 1.00 0.00 C ATOM 1081 OH TYR A 65 -8.550 -5.577 5.179 1.00 0.00 O ATOM 0 H TYR A 65 -13.266 -3.958 -1.194 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.222 -6.331 -0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.838 -4.383 -0.370 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.922 -3.385 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.810 -6.475 0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.419 -3.011 2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.532 -6.992 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.145 -3.527 4.860 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.728 -4.892 5.857 1.00 0.00 H new ATOM 1091 N ASP A 66 -14.454 -4.735 1.715 1.00 0.00 N ATOM 1092 CA ASP A 66 -15.302 -4.859 2.895 1.00 0.00 C ATOM 1093 C ASP A 66 -16.153 -6.124 2.844 1.00 0.00 C ATOM 1094 O ASP A 66 -16.236 -6.858 3.828 1.00 0.00 O ATOM 1095 CB ASP A 66 -16.208 -3.639 3.047 1.00 0.00 C ATOM 1096 CG ASP A 66 -15.815 -2.769 4.224 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -16.123 -3.145 5.376 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -15.199 -1.705 4.002 1.00 0.00 O ATOM 0 H ASP A 66 -14.682 -3.949 1.107 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.640 -4.922 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.171 -3.047 2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.239 -3.969 3.171 1.00 0.00 H new ATOM 1103 N ARG A 67 -16.769 -6.391 1.697 1.00 0.00 N ATOM 1104 CA ARG A 67 -17.647 -7.549 1.564 1.00 0.00 C ATOM 1105 C ARG A 67 -16.886 -8.841 1.247 1.00 0.00 C ATOM 1106 O ARG A 67 -17.109 -9.865 1.882 1.00 0.00 O ATOM 1107 CB ARG A 67 -18.692 -7.271 0.488 1.00 0.00 C ATOM 1108 CG ARG A 67 -18.095 -6.895 -0.853 1.00 0.00 C ATOM 1109 CD ARG A 67 -19.072 -6.091 -1.674 1.00 0.00 C ATOM 1110 NE ARG A 67 -20.276 -6.857 -2.005 1.00 0.00 N ATOM 1111 CZ ARG A 67 -21.211 -6.450 -2.858 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -21.146 -5.239 -3.393 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -22.233 -7.247 -3.147 1.00 0.00 N ATOM 0 H ARG A 67 -16.678 -5.827 0.852 1.00 0.00 H new ATOM 0 HA ARG A 67 -18.132 -7.705 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.317 -8.155 0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.344 -6.465 0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.183 -6.319 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -17.815 -7.798 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.354 -5.193 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.588 -5.763 -2.594 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.405 -7.761 -1.552 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.376 -4.615 -3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.866 -4.931 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -22.299 -8.169 -2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.952 -6.938 -3.801 1.00 0.00 H new ATOM 1127 N TYR A 68 -15.974 -8.788 0.285 1.00 0.00 N ATOM 1128 CA TYR A 68 -15.309 -9.995 -0.199 1.00 0.00 C ATOM 1129 C TYR A 68 -13.977 -10.219 0.518 1.00 0.00 C ATOM 1130 O TYR A 68 -13.362 -11.274 0.391 1.00 0.00 O ATOM 1131 CB TYR A 68 -15.100 -9.896 -1.717 1.00 0.00 C ATOM 1132 CG TYR A 68 -14.425 -11.099 -2.335 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -15.027 -12.351 -2.312 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -13.180 -10.981 -2.939 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -14.407 -13.451 -2.874 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -12.554 -12.074 -3.504 1.00 0.00 C ATOM 1137 CZ TYR A 68 -13.171 -13.306 -3.470 1.00 0.00 C ATOM 1138 OH TYR A 68 -12.549 -14.399 -4.030 1.00 0.00 O ATOM 0 H TYR A 68 -15.677 -7.927 -0.175 1.00 0.00 H new ATOM 0 HA TYR A 68 -15.945 -10.853 0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -16.068 -9.752 -2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -14.503 -9.010 -1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.995 -12.467 -1.847 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.693 -10.017 -2.967 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -14.887 -14.418 -2.847 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.586 -11.964 -3.970 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.687 -14.127 -4.409 1.00 0.00 H new ATOM 1148 N GLY A 69 -13.544 -9.232 1.284 1.00 0.00 N ATOM 1149 CA GLY A 69 -12.302 -9.358 2.024 1.00 0.00 C ATOM 1150 C GLY A 69 -12.476 -10.165 3.285 1.00 0.00 C ATOM 1151 O GLY A 69 -11.762 -11.137 3.526 1.00 0.00 O ATOM 0 H GLY A 69 -14.029 -8.343 1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.550 -9.830 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.928 -8.366 2.277 1.00 0.00 H new ATOM 1155 N ARG A 70 -13.443 -9.754 4.082 1.00 0.00 N ATOM 1156 CA ARG A 70 -13.718 -10.385 5.371 1.00 0.00 C ATOM 1157 C ARG A 70 -14.103 -11.857 5.223 1.00 0.00 C ATOM 1158 O ARG A 70 -13.902 -12.651 6.144 1.00 0.00 O ATOM 1159 CB ARG A 70 -14.832 -9.632 6.097 1.00 0.00 C ATOM 1160 CG ARG A 70 -14.498 -8.179 6.392 1.00 0.00 C ATOM 1161 CD ARG A 70 -13.211 -8.049 7.192 1.00 0.00 C ATOM 1162 NE ARG A 70 -13.239 -8.860 8.407 1.00 0.00 N ATOM 1163 CZ ARG A 70 -13.312 -8.361 9.637 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -13.354 -7.045 9.829 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -13.346 -9.177 10.678 1.00 0.00 N ATOM 0 H ARG A 70 -14.063 -8.975 3.860 1.00 0.00 H new ATOM 0 HA ARG A 70 -12.799 -10.341 5.955 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.738 -9.671 5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.052 -10.142 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -14.401 -7.630 5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -15.318 -7.722 6.946 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.367 -8.352 6.573 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.053 -7.004 7.457 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.200 -9.874 8.305 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.330 -6.412 9.030 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.410 -6.669 10.776 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.316 -10.187 10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.402 -8.796 11.623 1.00 0.00 H new ATOM 1179 N GLU A 71 -14.665 -12.211 4.076 1.00 0.00 N ATOM 1180 CA GLU A 71 -15.094 -13.580 3.826 1.00 0.00 C ATOM 1181 C GLU A 71 -13.903 -14.455 3.444 1.00 0.00 C ATOM 1182 O GLU A 71 -13.408 -15.205 4.313 1.00 0.00 O ATOM 1183 CB GLU A 71 -16.149 -13.615 2.721 1.00 0.00 C ATOM 1184 CG GLU A 71 -17.382 -12.778 3.025 1.00 0.00 C ATOM 1185 CD GLU A 71 -18.048 -13.166 4.329 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -18.605 -14.282 4.407 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -18.021 -12.356 5.280 1.00 0.00 O ATOM 0 H GLU A 71 -14.835 -11.568 3.303 1.00 0.00 H new ATOM 0 HA GLU A 71 -15.534 -13.973 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.701 -13.262 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -16.454 -14.648 2.555 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.100 -11.726 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -18.098 -12.885 2.210 1.00 0.00 H new TER 1194 GLU A 71