USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -139:sc= -1.81 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.56! C(o=-15!,f=-18!) USER MOD Set 1.3: A 34 CYS SG : rot 166:sc= -1.82! USER MOD Set 1.4: A 37 CYS SG : rot -31:sc= -5.22! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -63:sc= 0.817 USER MOD Single : A 17 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.036) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 56 SER OG : rot 180:sc= -0.361 USER MOD Single : A 57 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.5!) USER MOD Single : A 59 LYS NZ :NH3+ -133:sc= -0.141 (180deg=-0.841) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -29.103 -7.405 -13.590 1.00 0.00 N ATOM 2 CA ALA A 2 -28.786 -5.963 -13.765 1.00 0.00 C ATOM 3 C ALA A 2 -28.391 -5.661 -15.207 1.00 0.00 C ATOM 4 O ALA A 2 -27.412 -6.204 -15.719 1.00 0.00 O ATOM 5 CB ALA A 2 -27.673 -5.550 -12.815 1.00 0.00 C ATOM 0 HA ALA A 2 -29.681 -5.387 -13.531 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -27.450 -4.492 -12.953 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -27.990 -5.723 -11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -26.780 -6.139 -13.023 1.00 0.00 H new ATOM 10 N SER A 3 -29.158 -4.792 -15.856 1.00 0.00 N ATOM 11 CA SER A 3 -28.887 -4.418 -17.239 1.00 0.00 C ATOM 12 C SER A 3 -28.157 -3.080 -17.310 1.00 0.00 C ATOM 13 O SER A 3 -28.296 -2.337 -18.281 1.00 0.00 O ATOM 14 CB SER A 3 -30.192 -4.341 -18.033 1.00 0.00 C ATOM 15 OG SER A 3 -31.212 -5.107 -17.415 1.00 0.00 O ATOM 0 H SER A 3 -29.972 -4.334 -15.447 1.00 0.00 H new ATOM 0 HA SER A 3 -28.247 -5.184 -17.676 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.512 -3.302 -18.113 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.026 -4.703 -19.048 1.00 0.00 H new ATOM 0 HG SER A 3 -32.036 -5.040 -17.941 1.00 0.00 H new ATOM 21 N THR A 4 -27.379 -2.779 -16.274 1.00 0.00 N ATOM 22 CA THR A 4 -26.627 -1.530 -16.220 1.00 0.00 C ATOM 23 C THR A 4 -25.788 -1.457 -14.948 1.00 0.00 C ATOM 24 O THR A 4 -26.260 -1.000 -13.907 1.00 0.00 O ATOM 25 CB THR A 4 -27.577 -0.331 -16.291 1.00 0.00 C ATOM 26 OG1 THR A 4 -28.912 -0.733 -16.042 1.00 0.00 O ATOM 27 CG2 THR A 4 -27.553 0.373 -17.630 1.00 0.00 C ATOM 0 H THR A 4 -27.253 -3.383 -15.461 1.00 0.00 H new ATOM 0 HA THR A 4 -25.957 -1.501 -17.079 1.00 0.00 H new ATOM 0 HB THR A 4 -27.224 0.362 -15.527 1.00 0.00 H new ATOM 0 HG1 THR A 4 -29.503 0.047 -16.090 1.00 0.00 H new ATOM 0 HG21 THR A 4 -28.248 1.212 -17.612 1.00 0.00 H new ATOM 0 HG22 THR A 4 -26.546 0.740 -17.830 1.00 0.00 H new ATOM 0 HG23 THR A 4 -27.847 -0.325 -18.414 1.00 0.00 H new ATOM 35 N SER A 5 -24.543 -1.911 -15.038 1.00 0.00 N ATOM 36 CA SER A 5 -23.639 -1.896 -13.895 1.00 0.00 C ATOM 37 C SER A 5 -22.196 -1.692 -14.343 1.00 0.00 C ATOM 38 O SER A 5 -21.803 -2.136 -15.421 1.00 0.00 O ATOM 39 CB SER A 5 -23.759 -3.202 -13.106 1.00 0.00 C ATOM 40 OG SER A 5 -25.018 -3.297 -12.463 1.00 0.00 O ATOM 0 H SER A 5 -24.137 -2.294 -15.892 1.00 0.00 H new ATOM 0 HA SER A 5 -23.922 -1.062 -13.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.626 -4.050 -13.778 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.963 -3.256 -12.363 1.00 0.00 H new ATOM 0 HG SER A 5 -25.069 -4.141 -11.968 1.00 0.00 H new ATOM 46 N ARG A 6 -21.413 -1.018 -13.507 1.00 0.00 N ATOM 47 CA ARG A 6 -20.013 -0.755 -13.819 1.00 0.00 C ATOM 48 C ARG A 6 -19.146 -1.959 -13.471 1.00 0.00 C ATOM 49 O ARG A 6 -19.401 -2.661 -12.493 1.00 0.00 O ATOM 50 CB ARG A 6 -19.523 0.481 -13.061 1.00 0.00 C ATOM 51 CG ARG A 6 -19.527 1.749 -13.900 1.00 0.00 C ATOM 52 CD ARG A 6 -18.603 1.627 -15.100 1.00 0.00 C ATOM 53 NE ARG A 6 -19.344 1.464 -16.349 1.00 0.00 N ATOM 54 CZ ARG A 6 -19.913 2.469 -17.011 1.00 0.00 C ATOM 55 NH1 ARG A 6 -19.829 3.710 -16.549 1.00 0.00 N ATOM 56 NH2 ARG A 6 -20.568 2.232 -18.141 1.00 0.00 N ATOM 0 H ARG A 6 -21.723 -0.645 -12.610 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.932 -0.569 -14.890 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -20.153 0.633 -12.184 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.511 0.298 -12.699 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.541 1.958 -14.240 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -19.217 2.594 -13.285 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.974 2.515 -15.165 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -17.938 0.775 -14.960 1.00 0.00 H new ATOM 0 HE ARG A 6 -19.430 0.524 -16.736 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -19.326 3.898 -15.682 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -20.267 4.476 -17.061 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -20.635 1.280 -18.502 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -21.004 3.002 -18.649 1.00 0.00 H new ATOM 70 N LEU A 7 -18.118 -2.194 -14.281 1.00 0.00 N ATOM 71 CA LEU A 7 -17.210 -3.315 -14.061 1.00 0.00 C ATOM 72 C LEU A 7 -16.234 -3.013 -12.929 1.00 0.00 C ATOM 73 O LEU A 7 -15.546 -1.991 -12.946 1.00 0.00 O ATOM 74 CB LEU A 7 -16.441 -3.633 -15.343 1.00 0.00 C ATOM 75 CG LEU A 7 -17.312 -3.948 -16.562 1.00 0.00 C ATOM 76 CD1 LEU A 7 -16.768 -3.257 -17.803 1.00 0.00 C ATOM 77 CD2 LEU A 7 -17.396 -5.451 -16.782 1.00 0.00 C ATOM 0 H LEU A 7 -17.893 -1.623 -15.096 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.806 -4.183 -13.778 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.800 -2.785 -15.583 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -15.786 -4.484 -15.154 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.317 -3.570 -16.373 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -17.401 -3.494 -18.658 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.760 -2.179 -17.645 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.753 -3.603 -17.997 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.019 -5.657 -17.652 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.396 -5.851 -16.949 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -17.834 -5.924 -15.903 1.00 0.00 H new ATOM 89 N ASP A 8 -16.174 -3.909 -11.948 1.00 0.00 N ATOM 90 CA ASP A 8 -15.276 -3.737 -10.812 1.00 0.00 C ATOM 91 C ASP A 8 -13.825 -4.008 -11.232 1.00 0.00 C ATOM 92 O ASP A 8 -13.349 -3.434 -12.212 1.00 0.00 O ATOM 93 CB ASP A 8 -15.701 -4.662 -9.663 1.00 0.00 C ATOM 94 CG ASP A 8 -17.147 -4.453 -9.254 1.00 0.00 C ATOM 95 OD1 ASP A 8 -17.937 -3.960 -10.086 1.00 0.00 O ATOM 96 OD2 ASP A 8 -17.489 -4.784 -8.098 1.00 0.00 O ATOM 0 H ASP A 8 -16.736 -4.760 -11.917 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.337 -2.706 -10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.558 -5.700 -9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.055 -4.488 -8.803 1.00 0.00 H new ATOM 101 N ALA A 9 -13.123 -4.880 -10.501 1.00 0.00 N ATOM 102 CA ALA A 9 -11.735 -5.212 -10.818 1.00 0.00 C ATOM 103 C ALA A 9 -10.779 -4.099 -10.391 1.00 0.00 C ATOM 104 O ALA A 9 -9.847 -4.343 -9.627 1.00 0.00 O ATOM 105 CB ALA A 9 -11.580 -5.502 -12.308 1.00 0.00 C ATOM 0 H ALA A 9 -13.496 -5.367 -9.686 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.475 -6.109 -10.255 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.540 -5.747 -12.525 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.216 -6.343 -12.583 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.873 -4.623 -12.882 1.00 0.00 H new ATOM 111 N LEU A 10 -11.022 -2.885 -10.901 1.00 0.00 N ATOM 112 CA LEU A 10 -10.199 -1.701 -10.604 1.00 0.00 C ATOM 113 C LEU A 10 -9.073 -1.988 -9.600 1.00 0.00 C ATOM 114 O LEU A 10 -7.900 -2.005 -9.972 1.00 0.00 O ATOM 115 CB LEU A 10 -11.084 -0.559 -10.095 1.00 0.00 C ATOM 116 CG LEU A 10 -11.554 0.426 -11.167 1.00 0.00 C ATOM 117 CD1 LEU A 10 -12.837 1.117 -10.729 1.00 0.00 C ATOM 118 CD2 LEU A 10 -10.467 1.449 -11.461 1.00 0.00 C ATOM 0 H LEU A 10 -11.798 -2.693 -11.534 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.719 -1.409 -11.538 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.960 -0.988 -9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.535 -0.007 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 10 -11.759 -0.129 -12.082 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.157 1.814 -11.503 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.615 0.371 -10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.659 1.661 -9.802 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.817 2.142 -12.226 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.231 2.001 -10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.573 0.938 -11.817 1.00 0.00 H new ATOM 130 N PRO A 11 -9.407 -2.218 -8.312 1.00 0.00 N ATOM 131 CA PRO A 11 -8.399 -2.498 -7.285 1.00 0.00 C ATOM 132 C PRO A 11 -7.812 -3.910 -7.405 1.00 0.00 C ATOM 133 O PRO A 11 -6.845 -4.123 -8.136 1.00 0.00 O ATOM 134 CB PRO A 11 -9.175 -2.320 -5.978 1.00 0.00 C ATOM 135 CG PRO A 11 -10.587 -2.646 -6.326 1.00 0.00 C ATOM 136 CD PRO A 11 -10.777 -2.219 -7.757 1.00 0.00 C ATOM 0 HA PRO A 11 -7.532 -1.843 -7.365 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.796 -2.983 -5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.086 -1.301 -5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.780 -3.712 -6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.281 -2.122 -5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.426 -2.908 -8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -11.235 -1.232 -7.822 1.00 0.00 H new ATOM 144 N ARG A 12 -8.395 -4.873 -6.687 1.00 0.00 N ATOM 145 CA ARG A 12 -7.925 -6.256 -6.717 1.00 0.00 C ATOM 146 C ARG A 12 -8.618 -7.074 -5.631 1.00 0.00 C ATOM 147 O ARG A 12 -9.172 -8.141 -5.898 1.00 0.00 O ATOM 148 CB ARG A 12 -6.405 -6.315 -6.528 1.00 0.00 C ATOM 149 CG ARG A 12 -5.656 -6.784 -7.764 1.00 0.00 C ATOM 150 CD ARG A 12 -6.149 -8.144 -8.233 1.00 0.00 C ATOM 151 NE ARG A 12 -5.228 -8.763 -9.184 1.00 0.00 N ATOM 152 CZ ARG A 12 -4.025 -9.227 -8.855 1.00 0.00 C ATOM 153 NH1 ARG A 12 -3.592 -9.143 -7.603 1.00 0.00 N ATOM 154 NH2 ARG A 12 -3.252 -9.777 -9.782 1.00 0.00 N ATOM 0 H ARG A 12 -9.197 -4.717 -6.076 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.171 -6.680 -7.691 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.043 -5.326 -6.248 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.176 -6.984 -5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.781 -6.055 -8.565 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.589 -6.838 -7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.276 -8.800 -7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.129 -8.034 -8.697 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.525 -8.844 -10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.182 -8.721 -6.886 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.669 -9.501 -7.358 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.580 -9.844 -10.746 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.330 -10.133 -9.531 1.00 0.00 H new ATOM 168 N VAL A 13 -8.588 -6.558 -4.408 1.00 0.00 N ATOM 169 CA VAL A 13 -9.219 -7.225 -3.275 1.00 0.00 C ATOM 170 C VAL A 13 -8.591 -8.589 -3.002 1.00 0.00 C ATOM 171 O VAL A 13 -8.993 -9.597 -3.586 1.00 0.00 O ATOM 172 CB VAL A 13 -10.731 -7.406 -3.501 1.00 0.00 C ATOM 173 CG1 VAL A 13 -11.406 -7.906 -2.234 1.00 0.00 C ATOM 174 CG2 VAL A 13 -11.359 -6.102 -3.970 1.00 0.00 C ATOM 0 H VAL A 13 -8.132 -5.676 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.059 -6.582 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.876 -8.155 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.474 -8.027 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.975 -8.865 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.253 -7.184 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.428 -6.248 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.204 -5.331 -3.215 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.896 -5.791 -4.906 1.00 0.00 H new ATOM 184 N THR A 14 -7.611 -8.613 -2.105 1.00 0.00 N ATOM 185 CA THR A 14 -6.931 -9.851 -1.739 1.00 0.00 C ATOM 186 C THR A 14 -6.357 -10.558 -2.964 1.00 0.00 C ATOM 187 O THR A 14 -6.420 -10.044 -4.080 1.00 0.00 O ATOM 188 CB THR A 14 -7.894 -10.789 -1.006 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.768 -11.424 -1.923 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.746 -10.085 0.028 1.00 0.00 C ATOM 0 H THR A 14 -7.269 -7.786 -1.616 1.00 0.00 H new ATOM 0 HA THR A 14 -6.104 -9.590 -1.078 1.00 0.00 H new ATOM 0 HB THR A 14 -7.260 -11.514 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.328 -10.750 -2.362 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.405 -10.807 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.102 -9.625 0.778 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.345 -9.315 -0.458 1.00 0.00 H new ATOM 198 N CYS A 15 -5.797 -11.743 -2.736 1.00 0.00 N ATOM 199 CA CYS A 15 -5.208 -12.538 -3.808 1.00 0.00 C ATOM 200 C CYS A 15 -6.292 -13.176 -4.672 1.00 0.00 C ATOM 201 O CYS A 15 -7.262 -13.727 -4.150 1.00 0.00 O ATOM 202 CB CYS A 15 -4.320 -13.632 -3.216 1.00 0.00 C ATOM 203 SG CYS A 15 -3.314 -14.518 -4.431 1.00 0.00 S ATOM 0 H CYS A 15 -5.739 -12.175 -1.814 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.609 -11.876 -4.433 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.660 -13.185 -2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.950 -14.350 -2.691 1.00 0.00 H new ATOM 0 HG CYS A 15 -3.306 -15.786 -4.146 1.00 0.00 H new ATOM 209 N PRO A 16 -6.143 -13.125 -6.006 1.00 0.00 N ATOM 210 CA PRO A 16 -7.117 -13.717 -6.924 1.00 0.00 C ATOM 211 C PRO A 16 -7.189 -15.235 -6.777 1.00 0.00 C ATOM 212 O PRO A 16 -8.169 -15.860 -7.179 1.00 0.00 O ATOM 213 CB PRO A 16 -6.587 -13.336 -8.311 1.00 0.00 C ATOM 214 CG PRO A 16 -5.135 -13.077 -8.105 1.00 0.00 C ATOM 215 CD PRO A 16 -5.016 -12.500 -6.724 1.00 0.00 C ATOM 0 HA PRO A 16 -8.129 -13.359 -6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.747 -14.139 -9.030 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.095 -12.454 -8.700 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.557 -13.996 -8.196 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.751 -12.384 -8.853 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.059 -12.746 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.096 -11.413 -6.732 1.00 0.00 H new ATOM 223 N ASN A 17 -6.143 -15.822 -6.201 1.00 0.00 N ATOM 224 CA ASN A 17 -6.087 -17.266 -6.002 1.00 0.00 C ATOM 225 C ASN A 17 -6.029 -17.619 -4.515 1.00 0.00 C ATOM 226 O ASN A 17 -6.185 -18.782 -4.141 1.00 0.00 O ATOM 227 CB ASN A 17 -4.869 -17.849 -6.724 1.00 0.00 C ATOM 228 CG ASN A 17 -5.237 -18.514 -8.036 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.661 -18.213 -9.081 1.00 0.00 O ATOM 230 ND2 ASN A 17 -6.202 -19.425 -7.986 1.00 0.00 N ATOM 0 H ASN A 17 -5.322 -15.319 -5.864 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.996 -17.699 -6.419 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -4.147 -17.054 -6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.380 -18.576 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.493 -19.907 -8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.652 -19.643 -7.097 1.00 0.00 H new ATOM 237 N HIS A 18 -5.813 -16.615 -3.668 1.00 0.00 N ATOM 238 CA HIS A 18 -5.748 -16.837 -2.228 1.00 0.00 C ATOM 239 C HIS A 18 -6.641 -15.846 -1.485 1.00 0.00 C ATOM 240 O HIS A 18 -6.189 -14.780 -1.069 1.00 0.00 O ATOM 241 CB HIS A 18 -4.311 -16.710 -1.720 1.00 0.00 C ATOM 242 CG HIS A 18 -3.384 -17.787 -2.191 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.187 -17.517 -2.814 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.455 -19.136 -2.086 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.556 -18.648 -3.067 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.303 -19.647 -2.638 1.00 0.00 N ATOM 0 H HIS A 18 -5.681 -15.645 -3.953 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.103 -17.849 -2.035 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.913 -15.745 -2.033 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.324 -16.711 -0.630 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.841 -16.586 -3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.264 -19.704 -1.651 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.592 -18.740 -3.544 1.00 0.00 H new ATOM 255 N PRO A 19 -7.925 -16.187 -1.295 1.00 0.00 N ATOM 256 CA PRO A 19 -8.869 -15.318 -0.592 1.00 0.00 C ATOM 257 C PRO A 19 -8.414 -15.025 0.831 1.00 0.00 C ATOM 258 O PRO A 19 -8.632 -13.932 1.353 1.00 0.00 O ATOM 259 CB PRO A 19 -10.180 -16.117 -0.589 1.00 0.00 C ATOM 260 CG PRO A 19 -9.787 -17.524 -0.888 1.00 0.00 C ATOM 261 CD PRO A 19 -8.552 -17.443 -1.737 1.00 0.00 C ATOM 0 HA PRO A 19 -8.964 -14.345 -1.074 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.681 -16.046 0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.874 -15.735 -1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.592 -18.077 0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.586 -18.048 -1.412 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.896 -18.299 -1.577 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.794 -17.421 -2.800 1.00 0.00 H new ATOM 269 N ASP A 20 -7.780 -16.012 1.456 1.00 0.00 N ATOM 270 CA ASP A 20 -7.293 -15.868 2.821 1.00 0.00 C ATOM 271 C ASP A 20 -5.957 -15.124 2.861 1.00 0.00 C ATOM 272 O ASP A 20 -5.616 -14.506 3.869 1.00 0.00 O ATOM 273 CB ASP A 20 -7.144 -17.241 3.478 1.00 0.00 C ATOM 274 CG ASP A 20 -8.472 -17.807 3.942 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.373 -17.979 3.093 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.611 -18.077 5.153 1.00 0.00 O ATOM 0 H ASP A 20 -7.592 -16.922 1.036 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.025 -15.281 3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.685 -17.932 2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.468 -17.162 4.330 1.00 0.00 H new ATOM 281 N ALA A 21 -5.205 -15.188 1.766 1.00 0.00 N ATOM 282 CA ALA A 21 -3.909 -14.519 1.693 1.00 0.00 C ATOM 283 C ALA A 21 -4.061 -13.055 1.297 1.00 0.00 C ATOM 284 O ALA A 21 -3.965 -12.699 0.120 1.00 0.00 O ATOM 285 CB ALA A 21 -2.995 -15.235 0.723 1.00 0.00 C ATOM 0 H ALA A 21 -5.469 -15.694 0.920 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.462 -14.553 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.034 -14.722 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.844 -16.262 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.447 -15.238 -0.269 1.00 0.00 H new ATOM 291 N ILE A 22 -4.334 -12.234 2.297 1.00 0.00 N ATOM 292 CA ILE A 22 -4.539 -10.805 2.095 1.00 0.00 C ATOM 293 C ILE A 22 -3.241 -10.061 1.772 1.00 0.00 C ATOM 294 O ILE A 22 -2.707 -9.343 2.615 1.00 0.00 O ATOM 295 CB ILE A 22 -5.199 -10.146 3.321 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.353 -11.007 3.842 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.694 -8.757 2.958 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.399 -11.316 2.796 1.00 0.00 C ATOM 0 H ILE A 22 -4.420 -12.535 3.268 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.205 -10.726 1.235 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.456 -10.060 4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.951 -11.943 4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.828 -10.495 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.159 -8.297 3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.853 -8.145 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.425 -8.830 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.185 -11.929 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.830 -10.385 2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.938 -11.857 1.969 1.00 0.00 H new ATOM 310 N LEU A 23 -2.752 -10.243 0.532 1.00 0.00 N ATOM 311 CA LEU A 23 -1.517 -9.588 0.064 1.00 0.00 C ATOM 312 C LEU A 23 -1.134 -8.449 0.996 1.00 0.00 C ATOM 313 O LEU A 23 -1.853 -7.463 1.118 1.00 0.00 O ATOM 314 CB LEU A 23 -1.688 -9.041 -1.358 1.00 0.00 C ATOM 315 CG LEU A 23 -1.308 -10.003 -2.484 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.555 -10.668 -3.051 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.534 -9.269 -3.573 1.00 0.00 C ATOM 0 H LEU A 23 -3.195 -10.840 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.726 -10.338 0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.729 -8.745 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.085 -8.138 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.661 -10.782 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.271 -11.351 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.061 -11.225 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.227 -9.905 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.271 -9.968 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.152 -8.470 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.375 -8.843 -3.149 1.00 0.00 H new ATOM 329 N VAL A 24 -0.025 -8.604 1.680 1.00 0.00 N ATOM 330 CA VAL A 24 0.406 -7.595 2.624 1.00 0.00 C ATOM 331 C VAL A 24 1.114 -6.442 1.934 1.00 0.00 C ATOM 332 O VAL A 24 1.556 -6.556 0.795 1.00 0.00 O ATOM 333 CB VAL A 24 1.288 -8.214 3.711 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.447 -7.266 4.890 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.674 -9.537 4.146 1.00 0.00 C ATOM 0 H VAL A 24 0.593 -9.412 1.603 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.486 -7.185 3.099 1.00 0.00 H new ATOM 0 HB VAL A 24 2.286 -8.395 3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.078 -7.730 5.648 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.909 -6.339 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.468 -7.049 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.294 -9.988 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.328 -9.362 4.539 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.616 -10.210 3.290 1.00 0.00 H new ATOM 345 N GLU A 25 1.178 -5.326 2.635 1.00 0.00 N ATOM 346 CA GLU A 25 1.775 -4.129 2.122 1.00 0.00 C ATOM 347 C GLU A 25 3.275 -4.205 2.197 1.00 0.00 C ATOM 348 O GLU A 25 3.856 -4.621 3.198 1.00 0.00 O ATOM 349 CB GLU A 25 1.261 -2.906 2.883 1.00 0.00 C ATOM 350 CG GLU A 25 0.372 -2.000 2.047 1.00 0.00 C ATOM 351 CD GLU A 25 1.165 -1.112 1.109 1.00 0.00 C ATOM 352 OE1 GLU A 25 1.719 -1.636 0.120 1.00 0.00 O ATOM 353 OE2 GLU A 25 1.232 0.109 1.363 1.00 0.00 O ATOM 0 H GLU A 25 0.812 -5.234 3.582 1.00 0.00 H new ATOM 0 HA GLU A 25 1.492 -4.029 1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.704 -3.240 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.112 -2.331 3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.319 -2.611 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.231 -1.378 2.708 1.00 0.00 H new ATOM 360 N ASP A 26 3.878 -3.774 1.126 1.00 0.00 N ATOM 361 CA ASP A 26 5.303 -3.738 0.992 1.00 0.00 C ATOM 362 C ASP A 26 5.970 -5.108 1.056 1.00 0.00 C ATOM 363 O ASP A 26 6.417 -5.541 2.118 1.00 0.00 O ATOM 364 CB ASP A 26 5.915 -2.801 2.025 1.00 0.00 C ATOM 365 CG ASP A 26 5.779 -1.343 1.635 1.00 0.00 C ATOM 366 OD1 ASP A 26 4.849 -1.017 0.867 1.00 0.00 O ATOM 367 OD2 ASP A 26 6.602 -0.524 2.100 1.00 0.00 O ATOM 0 H ASP A 26 3.380 -3.431 0.305 1.00 0.00 H new ATOM 0 HA ASP A 26 5.495 -3.358 -0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.433 -2.963 2.989 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.970 -3.044 2.152 1.00 0.00 H new ATOM 372 N TYR A 27 6.061 -5.773 -0.097 1.00 0.00 N ATOM 373 CA TYR A 27 6.710 -7.079 -0.180 1.00 0.00 C ATOM 374 C TYR A 27 8.152 -6.973 0.284 1.00 0.00 C ATOM 375 O TYR A 27 9.057 -6.790 -0.531 1.00 0.00 O ATOM 376 CB TYR A 27 6.697 -7.608 -1.619 1.00 0.00 C ATOM 377 CG TYR A 27 7.683 -8.733 -1.868 1.00 0.00 C ATOM 378 CD1 TYR A 27 7.927 -9.698 -0.898 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.375 -8.825 -3.071 1.00 0.00 C ATOM 380 CE1 TYR A 27 8.828 -10.722 -1.118 1.00 0.00 C ATOM 381 CE2 TYR A 27 9.277 -9.847 -3.298 1.00 0.00 C ATOM 382 CZ TYR A 27 9.500 -10.793 -2.320 1.00 0.00 C ATOM 383 OH TYR A 27 10.399 -11.811 -2.543 1.00 0.00 O ATOM 0 H TYR A 27 5.694 -5.428 -0.984 1.00 0.00 H new ATOM 0 HA TYR A 27 6.158 -7.767 0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.693 -7.958 -1.858 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.918 -6.786 -2.300 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.403 -9.646 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.205 -8.086 -3.840 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.005 -11.463 -0.353 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.805 -9.905 -4.238 1.00 0.00 H new ATOM 0 HH TYR A 27 10.785 -11.716 -3.439 1.00 0.00 H new ATOM 393 N ARG A 28 8.373 -7.087 1.585 1.00 0.00 N ATOM 394 CA ARG A 28 9.724 -6.997 2.115 1.00 0.00 C ATOM 395 C ARG A 28 10.403 -5.729 1.600 1.00 0.00 C ATOM 396 O ARG A 28 11.520 -5.773 1.086 1.00 0.00 O ATOM 397 CB ARG A 28 10.520 -8.235 1.698 1.00 0.00 C ATOM 398 CG ARG A 28 11.238 -8.911 2.855 1.00 0.00 C ATOM 399 CD ARG A 28 12.695 -8.486 2.932 1.00 0.00 C ATOM 400 NE ARG A 28 13.494 -9.406 3.739 1.00 0.00 N ATOM 401 CZ ARG A 28 13.831 -10.632 3.348 1.00 0.00 C ATOM 402 NH1 ARG A 28 13.442 -11.089 2.165 1.00 0.00 N ATOM 403 NH2 ARG A 28 14.559 -11.405 4.144 1.00 0.00 N ATOM 0 H ARG A 28 7.646 -7.240 2.284 1.00 0.00 H new ATOM 0 HA ARG A 28 9.684 -6.951 3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 28 9.844 -8.952 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.252 -7.949 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.736 -8.664 3.790 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.179 -9.993 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.110 -8.433 1.926 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.758 -7.484 3.356 1.00 0.00 H new ATOM 0 HE ARG A 28 13.812 -9.090 4.655 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.881 -10.499 1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.704 -12.030 1.871 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.860 -11.059 5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.818 -12.345 3.845 1.00 0.00 H new ATOM 417 N ALA A 29 9.694 -4.606 1.724 1.00 0.00 N ATOM 418 CA ALA A 29 10.183 -3.307 1.259 1.00 0.00 C ATOM 419 C ALA A 29 9.789 -3.079 -0.197 1.00 0.00 C ATOM 420 O ALA A 29 10.494 -2.402 -0.945 1.00 0.00 O ATOM 421 CB ALA A 29 11.694 -3.186 1.430 1.00 0.00 C ATOM 0 H ALA A 29 8.767 -4.571 2.148 1.00 0.00 H new ATOM 0 HA ALA A 29 9.717 -2.536 1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.023 -2.210 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.951 -3.294 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.189 -3.968 0.854 1.00 0.00 H new ATOM 427 N GLY A 30 8.653 -3.654 -0.589 1.00 0.00 N ATOM 428 CA GLY A 30 8.175 -3.510 -1.953 1.00 0.00 C ATOM 429 C GLY A 30 6.709 -3.119 -2.015 1.00 0.00 C ATOM 430 O GLY A 30 6.286 -2.169 -1.356 1.00 0.00 O ATOM 0 H GLY A 30 8.055 -4.218 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.771 -2.756 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.321 -4.449 -2.487 1.00 0.00 H new ATOM 434 N ASP A 31 5.940 -3.846 -2.820 1.00 0.00 N ATOM 435 CA ASP A 31 4.513 -3.573 -2.977 1.00 0.00 C ATOM 436 C ASP A 31 3.660 -4.572 -2.185 1.00 0.00 C ATOM 437 O ASP A 31 3.861 -4.740 -0.989 1.00 0.00 O ATOM 438 CB ASP A 31 4.143 -3.528 -4.457 1.00 0.00 C ATOM 439 CG ASP A 31 4.540 -4.778 -5.195 1.00 0.00 C ATOM 440 OD1 ASP A 31 3.941 -5.834 -4.923 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.448 -4.699 -6.049 1.00 0.00 O ATOM 0 H ASP A 31 6.281 -4.631 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 31 4.297 -2.591 -2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.067 -3.380 -4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.626 -2.668 -4.922 1.00 0.00 H new ATOM 446 N MET A 32 2.690 -5.206 -2.831 1.00 0.00 N ATOM 447 CA MET A 32 1.802 -6.135 -2.146 1.00 0.00 C ATOM 448 C MET A 32 2.208 -7.600 -2.329 1.00 0.00 C ATOM 449 O MET A 32 2.246 -8.120 -3.438 1.00 0.00 O ATOM 450 CB MET A 32 0.404 -5.920 -2.680 1.00 0.00 C ATOM 451 CG MET A 32 -0.253 -4.650 -2.165 1.00 0.00 C ATOM 452 SD MET A 32 -2.054 -4.751 -2.169 1.00 0.00 S ATOM 453 CE MET A 32 -2.462 -3.452 -3.333 1.00 0.00 C ATOM 0 H MET A 32 2.499 -5.094 -3.827 1.00 0.00 H new ATOM 0 HA MET A 32 1.858 -5.935 -1.076 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.441 -5.885 -3.769 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.215 -6.775 -2.410 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.094 -4.451 -1.151 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.061 -3.807 -2.781 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.545 -3.390 -3.444 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.079 -2.500 -2.965 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.011 -3.675 -4.300 1.00 0.00 H new ATOM 463 N ILE A 33 2.547 -8.236 -1.223 1.00 0.00 N ATOM 464 CA ILE A 33 2.997 -9.621 -1.216 1.00 0.00 C ATOM 465 C ILE A 33 1.931 -10.562 -0.659 1.00 0.00 C ATOM 466 O ILE A 33 1.479 -10.398 0.473 1.00 0.00 O ATOM 467 CB ILE A 33 4.278 -9.687 -0.352 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.136 -10.904 -0.671 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.923 -9.656 1.120 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.405 -12.207 -0.515 1.00 0.00 C ATOM 0 H ILE A 33 2.519 -7.807 -0.298 1.00 0.00 H new ATOM 0 HA ILE A 33 3.196 -9.946 -2.237 1.00 0.00 H new ATOM 0 HB ILE A 33 4.874 -8.808 -0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.503 -10.822 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.009 -10.905 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.835 -9.703 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.389 -8.733 1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.289 -10.510 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.075 -13.032 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.061 -12.310 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.548 -12.226 -1.188 1.00 0.00 H new ATOM 482 N CYS A 34 1.557 -11.571 -1.441 1.00 0.00 N ATOM 483 CA CYS A 34 0.581 -12.550 -0.991 1.00 0.00 C ATOM 484 C CYS A 34 1.309 -13.649 -0.233 1.00 0.00 C ATOM 485 O CYS A 34 1.828 -14.566 -0.849 1.00 0.00 O ATOM 486 CB CYS A 34 -0.158 -13.155 -2.178 1.00 0.00 C ATOM 487 SG CYS A 34 -1.306 -14.475 -1.745 1.00 0.00 S ATOM 0 H CYS A 34 1.914 -11.729 -2.383 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.148 -12.061 -0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.708 -12.365 -2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.574 -13.544 -2.886 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.094 -14.713 -2.752 1.00 0.00 H new ATOM 493 N PRO A 35 1.351 -13.582 1.108 1.00 0.00 N ATOM 494 CA PRO A 35 2.040 -14.572 1.945 1.00 0.00 C ATOM 495 C PRO A 35 1.836 -16.017 1.503 1.00 0.00 C ATOM 496 O PRO A 35 2.564 -16.907 1.941 1.00 0.00 O ATOM 497 CB PRO A 35 1.432 -14.351 3.343 1.00 0.00 C ATOM 498 CG PRO A 35 0.361 -13.323 3.164 1.00 0.00 C ATOM 499 CD PRO A 35 0.727 -12.550 1.934 1.00 0.00 C ATOM 0 HA PRO A 35 3.120 -14.431 1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.021 -15.278 3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.189 -14.008 4.049 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.616 -13.794 3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.301 -12.667 4.033 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.147 -12.112 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.413 -11.732 2.154 1.00 0.00 H new ATOM 507 N GLU A 36 0.848 -16.258 0.660 1.00 0.00 N ATOM 508 CA GLU A 36 0.558 -17.606 0.203 1.00 0.00 C ATOM 509 C GLU A 36 1.362 -17.949 -1.040 1.00 0.00 C ATOM 510 O GLU A 36 2.249 -18.794 -0.999 1.00 0.00 O ATOM 511 CB GLU A 36 -0.937 -17.744 -0.064 1.00 0.00 C ATOM 512 CG GLU A 36 -1.704 -18.385 1.080 1.00 0.00 C ATOM 513 CD GLU A 36 -1.244 -19.800 1.370 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.613 -20.412 0.483 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.515 -20.296 2.484 1.00 0.00 O ATOM 0 H GLU A 36 0.233 -15.539 0.278 1.00 0.00 H new ATOM 0 HA GLU A 36 0.847 -18.310 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.355 -16.757 -0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.083 -18.338 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.586 -17.777 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.767 -18.395 0.839 1.00 0.00 H new ATOM 522 N CYS A 37 1.105 -17.246 -2.131 1.00 0.00 N ATOM 523 CA CYS A 37 1.866 -17.465 -3.357 1.00 0.00 C ATOM 524 C CYS A 37 3.048 -16.526 -3.342 1.00 0.00 C ATOM 525 O CYS A 37 4.032 -16.713 -4.052 1.00 0.00 O ATOM 526 CB CYS A 37 1.018 -17.211 -4.609 1.00 0.00 C ATOM 527 SG CYS A 37 0.044 -15.689 -4.556 1.00 0.00 S ATOM 0 H CYS A 37 0.385 -16.527 -2.197 1.00 0.00 H new ATOM 0 HA CYS A 37 2.189 -18.505 -3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.676 -17.177 -5.478 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.343 -18.055 -4.753 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.296 -15.434 -3.327 1.00 0.00 H new ATOM 533 N GLY A 38 2.905 -15.504 -2.515 1.00 0.00 N ATOM 534 CA GLY A 38 3.901 -14.490 -2.357 1.00 0.00 C ATOM 535 C GLY A 38 4.054 -13.661 -3.605 1.00 0.00 C ATOM 536 O GLY A 38 5.150 -13.232 -3.962 1.00 0.00 O ATOM 0 H GLY A 38 2.079 -15.365 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.633 -13.844 -1.521 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.856 -14.953 -2.108 1.00 0.00 H new ATOM 540 N LEU A 39 2.926 -13.433 -4.255 1.00 0.00 N ATOM 541 CA LEU A 39 2.872 -12.646 -5.465 1.00 0.00 C ATOM 542 C LEU A 39 3.063 -11.178 -5.119 1.00 0.00 C ATOM 543 O LEU A 39 2.664 -10.739 -4.042 1.00 0.00 O ATOM 544 CB LEU A 39 1.529 -12.856 -6.141 1.00 0.00 C ATOM 545 CG LEU A 39 0.413 -12.004 -5.556 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.247 -10.777 -6.406 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.885 -12.778 -5.447 1.00 0.00 C ATOM 0 H LEU A 39 2.020 -13.792 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 39 3.665 -12.956 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.627 -12.632 -7.203 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.252 -13.907 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 39 0.683 -11.711 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.551 -10.157 -5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.179 -10.211 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.008 -11.071 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.658 -12.135 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.193 -13.113 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.739 -13.643 -4.800 1.00 0.00 H new ATOM 559 N VAL A 40 3.726 -10.444 -5.995 1.00 0.00 N ATOM 560 CA VAL A 40 4.028 -9.056 -5.738 1.00 0.00 C ATOM 561 C VAL A 40 3.315 -8.129 -6.704 1.00 0.00 C ATOM 562 O VAL A 40 3.516 -8.199 -7.916 1.00 0.00 O ATOM 563 CB VAL A 40 5.550 -8.841 -5.833 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.932 -7.408 -5.520 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.274 -9.807 -4.909 1.00 0.00 C ATOM 0 H VAL A 40 4.064 -10.792 -6.892 1.00 0.00 H new ATOM 0 HA VAL A 40 3.675 -8.815 -4.735 1.00 0.00 H new ATOM 0 HB VAL A 40 5.855 -9.041 -6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.013 -7.295 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.445 -6.739 -6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.612 -7.159 -4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.349 -9.646 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.953 -9.637 -3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.040 -10.832 -5.198 1.00 0.00 H new ATOM 575 N VAL A 41 2.486 -7.250 -6.152 1.00 0.00 N ATOM 576 CA VAL A 41 1.748 -6.298 -6.967 1.00 0.00 C ATOM 577 C VAL A 41 1.844 -4.875 -6.423 1.00 0.00 C ATOM 578 O VAL A 41 1.751 -4.649 -5.220 1.00 0.00 O ATOM 579 CB VAL A 41 0.263 -6.662 -7.079 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.313 -6.183 -8.401 1.00 0.00 C ATOM 581 CG2 VAL A 41 0.106 -8.143 -6.926 1.00 0.00 C ATOM 0 H VAL A 41 2.310 -7.178 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 41 2.213 -6.345 -7.952 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.291 -6.163 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.368 -6.453 -8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.211 -5.100 -8.471 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.226 -6.652 -9.224 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.949 -8.407 -7.005 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.667 -8.651 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.485 -8.450 -5.951 1.00 0.00 H new ATOM 591 N GLY A 42 1.999 -3.920 -7.331 1.00 0.00 N ATOM 592 CA GLY A 42 2.074 -2.527 -6.940 1.00 0.00 C ATOM 593 C GLY A 42 3.268 -1.813 -7.519 1.00 0.00 C ATOM 594 O GLY A 42 4.284 -2.427 -7.845 1.00 0.00 O ATOM 0 H GLY A 42 2.074 -4.087 -8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.164 -2.017 -7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.112 -2.463 -5.853 1.00 0.00 H new ATOM 598 N ASP A 43 3.134 -0.504 -7.633 1.00 0.00 N ATOM 599 CA ASP A 43 4.186 0.343 -8.165 1.00 0.00 C ATOM 600 C ASP A 43 3.720 1.790 -8.202 1.00 0.00 C ATOM 601 O ASP A 43 4.229 2.637 -7.470 1.00 0.00 O ATOM 602 CB ASP A 43 4.591 -0.112 -9.570 1.00 0.00 C ATOM 603 CG ASP A 43 5.995 0.328 -9.937 1.00 0.00 C ATOM 604 OD1 ASP A 43 6.784 0.625 -9.016 1.00 0.00 O ATOM 605 OD2 ASP A 43 6.305 0.374 -11.147 1.00 0.00 O ATOM 0 H ASP A 43 2.292 0.002 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 43 5.055 0.263 -7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.526 -1.198 -9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.885 0.290 -10.297 1.00 0.00 H new ATOM 610 N ARG A 44 2.745 2.067 -9.065 1.00 0.00 N ATOM 611 CA ARG A 44 2.202 3.414 -9.209 1.00 0.00 C ATOM 612 C ARG A 44 3.317 4.431 -9.444 1.00 0.00 C ATOM 613 O ARG A 44 3.824 5.042 -8.503 1.00 0.00 O ATOM 614 CB ARG A 44 1.388 3.797 -7.969 1.00 0.00 C ATOM 615 CG ARG A 44 -0.079 4.065 -8.267 1.00 0.00 C ATOM 616 CD ARG A 44 -0.884 4.248 -6.991 1.00 0.00 C ATOM 617 NE ARG A 44 -2.120 4.992 -7.226 1.00 0.00 N ATOM 618 CZ ARG A 44 -3.167 4.501 -7.885 1.00 0.00 C ATOM 619 NH1 ARG A 44 -3.135 3.266 -8.373 1.00 0.00 N ATOM 620 NH2 ARG A 44 -4.250 5.245 -8.057 1.00 0.00 N ATOM 0 H ARG A 44 2.314 1.373 -9.677 1.00 0.00 H new ATOM 0 HA ARG A 44 1.544 3.422 -10.078 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.461 2.995 -7.234 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.827 4.686 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.168 4.958 -8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.491 3.236 -8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.123 3.271 -6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.279 4.774 -6.253 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.184 5.943 -6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.305 2.688 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.941 2.896 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.281 6.194 -7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.052 4.869 -8.562 1.00 0.00 H new ATOM 634 N VAL A 45 3.692 4.605 -10.707 1.00 0.00 N ATOM 635 CA VAL A 45 4.747 5.545 -11.073 1.00 0.00 C ATOM 636 C VAL A 45 4.173 6.936 -11.326 1.00 0.00 C ATOM 637 O VAL A 45 2.962 7.141 -11.240 1.00 0.00 O ATOM 638 CB VAL A 45 5.519 5.081 -12.331 1.00 0.00 C ATOM 639 CG1 VAL A 45 6.977 5.507 -12.249 1.00 0.00 C ATOM 640 CG2 VAL A 45 5.414 3.573 -12.512 1.00 0.00 C ATOM 0 H VAL A 45 3.280 4.107 -11.496 1.00 0.00 H new ATOM 0 HA VAL A 45 5.440 5.582 -10.232 1.00 0.00 H new ATOM 0 HB VAL A 45 5.065 5.558 -13.200 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.505 5.172 -13.142 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.035 6.593 -12.179 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.437 5.061 -11.367 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.966 3.274 -13.403 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.834 3.072 -11.640 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.367 3.292 -12.622 1.00 0.00 H new ATOM 650 N ILE A 46 5.049 7.890 -11.634 1.00 0.00 N ATOM 651 CA ILE A 46 4.629 9.263 -11.899 1.00 0.00 C ATOM 652 C ILE A 46 4.264 9.981 -10.604 1.00 0.00 C ATOM 653 O ILE A 46 3.313 10.762 -10.560 1.00 0.00 O ATOM 654 CB ILE A 46 3.427 9.322 -12.865 1.00 0.00 C ATOM 655 CG1 ILE A 46 3.589 8.297 -13.991 1.00 0.00 C ATOM 656 CG2 ILE A 46 3.275 10.725 -13.437 1.00 0.00 C ATOM 657 CD1 ILE A 46 2.554 7.193 -13.957 1.00 0.00 C ATOM 0 H ILE A 46 6.055 7.737 -11.706 1.00 0.00 H new ATOM 0 HA ILE A 46 5.476 9.763 -12.368 1.00 0.00 H new ATOM 0 HB ILE A 46 2.524 9.076 -12.307 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.529 8.811 -14.950 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.583 7.854 -13.928 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.423 10.751 -14.116 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.113 11.433 -12.625 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.180 10.997 -13.980 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.730 6.504 -14.783 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.628 6.654 -13.013 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.558 7.625 -14.051 1.00 0.00 H new ATOM 669 N ASP A 47 5.027 9.709 -9.549 1.00 0.00 N ATOM 670 CA ASP A 47 4.788 10.328 -8.249 1.00 0.00 C ATOM 671 C ASP A 47 3.428 9.918 -7.693 1.00 0.00 C ATOM 672 O ASP A 47 2.433 9.887 -8.417 1.00 0.00 O ATOM 673 CB ASP A 47 4.873 11.852 -8.362 1.00 0.00 C ATOM 674 CG ASP A 47 6.067 12.421 -7.618 1.00 0.00 C ATOM 675 OD1 ASP A 47 5.962 12.618 -6.390 1.00 0.00 O ATOM 676 OD2 ASP A 47 7.106 12.670 -8.265 1.00 0.00 O ATOM 0 H ASP A 47 5.817 9.064 -9.569 1.00 0.00 H new ATOM 0 HA ASP A 47 5.559 9.981 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.936 12.133 -9.413 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.958 12.295 -7.968 1.00 0.00 H new ATOM 681 N VAL A 48 3.393 9.607 -6.400 1.00 0.00 N ATOM 682 CA VAL A 48 2.154 9.202 -5.746 1.00 0.00 C ATOM 683 C VAL A 48 2.122 9.674 -4.296 1.00 0.00 C ATOM 684 O VAL A 48 3.161 9.782 -3.643 1.00 0.00 O ATOM 685 CB VAL A 48 1.972 7.672 -5.785 1.00 0.00 C ATOM 686 CG1 VAL A 48 3.108 6.975 -5.051 1.00 0.00 C ATOM 687 CG2 VAL A 48 0.626 7.277 -5.195 1.00 0.00 C ATOM 0 H VAL A 48 4.207 9.628 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 48 1.336 9.669 -6.295 1.00 0.00 H new ATOM 0 HB VAL A 48 1.995 7.352 -6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.959 5.896 -5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.057 7.228 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.123 7.301 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.517 6.193 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.570 7.613 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.174 7.742 -5.771 1.00 0.00 H new ATOM 697 N GLY A 49 0.922 9.956 -3.798 1.00 0.00 N ATOM 698 CA GLY A 49 0.777 10.412 -2.428 1.00 0.00 C ATOM 699 C GLY A 49 -0.304 11.467 -2.281 1.00 0.00 C ATOM 700 O GLY A 49 -1.425 11.288 -2.757 1.00 0.00 O ATOM 0 H GLY A 49 0.048 9.877 -4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.541 9.562 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.727 10.818 -2.081 1.00 0.00 H new ATOM 704 N SER A 50 0.036 12.568 -1.618 1.00 0.00 N ATOM 705 CA SER A 50 -0.914 13.657 -1.408 1.00 0.00 C ATOM 706 C SER A 50 -2.125 13.177 -0.615 1.00 0.00 C ATOM 707 O SER A 50 -3.249 13.624 -0.846 1.00 0.00 O ATOM 708 CB SER A 50 -1.365 14.235 -2.752 1.00 0.00 C ATOM 709 OG SER A 50 -1.416 15.650 -2.706 1.00 0.00 O ATOM 0 H SER A 50 0.960 12.730 -1.217 1.00 0.00 H new ATOM 0 HA SER A 50 -0.413 14.437 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.678 13.918 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.348 13.841 -3.010 1.00 0.00 H new ATOM 0 HG SER A 50 -1.705 15.995 -3.576 1.00 0.00 H new ATOM 715 N GLU A 51 -1.888 12.265 0.324 1.00 0.00 N ATOM 716 CA GLU A 51 -2.960 11.724 1.153 1.00 0.00 C ATOM 717 C GLU A 51 -2.681 11.974 2.631 1.00 0.00 C ATOM 718 O GLU A 51 -3.001 11.144 3.483 1.00 0.00 O ATOM 719 CB GLU A 51 -3.125 10.225 0.898 1.00 0.00 C ATOM 720 CG GLU A 51 -4.064 9.903 -0.252 1.00 0.00 C ATOM 721 CD GLU A 51 -5.291 9.131 0.193 1.00 0.00 C ATOM 722 OE1 GLU A 51 -5.161 8.278 1.095 1.00 0.00 O ATOM 723 OE2 GLU A 51 -6.382 9.378 -0.363 1.00 0.00 O ATOM 0 H GLU A 51 -0.964 11.886 0.529 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.886 12.233 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.147 9.791 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.499 9.750 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.377 10.831 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.527 9.323 -1.003 1.00 0.00 H new ATOM 730 N TRP A 52 -2.083 13.123 2.928 1.00 0.00 N ATOM 731 CA TRP A 52 -1.757 13.487 4.303 1.00 0.00 C ATOM 732 C TRP A 52 -0.761 12.501 4.909 1.00 0.00 C ATOM 733 O TRP A 52 0.440 12.770 4.954 1.00 0.00 O ATOM 734 CB TRP A 52 -3.029 13.545 5.156 1.00 0.00 C ATOM 735 CG TRP A 52 -3.958 14.656 4.769 1.00 0.00 C ATOM 736 CD1 TRP A 52 -3.682 15.712 3.947 1.00 0.00 C ATOM 737 CD2 TRP A 52 -5.319 14.821 5.188 1.00 0.00 C ATOM 738 NE1 TRP A 52 -4.785 16.521 3.831 1.00 0.00 N ATOM 739 CE2 TRP A 52 -5.804 15.996 4.582 1.00 0.00 C ATOM 740 CE3 TRP A 52 -6.175 14.086 6.014 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -7.104 16.453 4.780 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -7.465 14.542 6.209 1.00 0.00 C ATOM 743 CH2 TRP A 52 -7.918 15.715 5.595 1.00 0.00 C ATOM 0 H TRP A 52 -1.814 13.820 2.234 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.295 14.474 4.290 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -3.557 12.595 5.072 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -2.750 13.663 6.203 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.734 15.885 3.459 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -4.838 17.375 3.276 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -5.834 13.179 6.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.457 17.358 4.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -8.135 13.984 6.846 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -8.932 16.045 5.768 1.00 0.00 H new ATOM 754 N ARG A 53 -1.264 11.361 5.374 1.00 0.00 N ATOM 755 CA ARG A 53 -0.415 10.337 5.976 1.00 0.00 C ATOM 756 C ARG A 53 0.441 10.924 7.096 1.00 0.00 C ATOM 757 O ARG A 53 1.610 11.250 6.892 1.00 0.00 O ATOM 758 CB ARG A 53 0.480 9.698 4.911 1.00 0.00 C ATOM 759 CG ARG A 53 0.135 8.246 4.620 1.00 0.00 C ATOM 760 CD ARG A 53 0.332 7.371 5.847 1.00 0.00 C ATOM 761 NE ARG A 53 -0.087 5.991 5.609 1.00 0.00 N ATOM 762 CZ ARG A 53 -0.362 5.122 6.578 1.00 0.00 C ATOM 763 NH1 ARG A 53 -0.264 5.484 7.852 1.00 0.00 N ATOM 764 NH2 ARG A 53 -0.736 3.887 6.274 1.00 0.00 N ATOM 0 H ARG A 53 -2.255 11.123 5.346 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.061 9.571 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.401 10.274 3.989 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.518 9.758 5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.900 8.177 4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.759 7.879 3.806 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.382 7.386 6.138 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.236 7.783 6.681 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.174 5.676 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.023 6.433 8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.476 4.813 8.591 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.813 3.603 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.947 3.221 7.017 1.00 0.00 H new ATOM 778 N THR A 54 -0.151 11.056 8.278 1.00 0.00 N ATOM 779 CA THR A 54 0.556 11.605 9.429 1.00 0.00 C ATOM 780 C THR A 54 0.023 11.012 10.730 1.00 0.00 C ATOM 781 O THR A 54 -0.938 10.243 10.724 1.00 0.00 O ATOM 782 CB THR A 54 0.423 13.129 9.458 1.00 0.00 C ATOM 783 OG1 THR A 54 0.234 13.640 8.150 1.00 0.00 O ATOM 784 CG2 THR A 54 1.629 13.822 10.052 1.00 0.00 C ATOM 0 H THR A 54 -1.118 10.790 8.464 1.00 0.00 H new ATOM 0 HA THR A 54 1.609 11.341 9.335 1.00 0.00 H new ATOM 0 HB THR A 54 -0.441 13.333 10.090 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.150 14.616 8.189 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.470 14.900 10.043 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.773 13.485 11.079 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.514 13.581 9.463 1.00 0.00 H new ATOM 792 N PHE A 55 0.652 11.378 11.842 1.00 0.00 N ATOM 793 CA PHE A 55 0.242 10.883 13.150 1.00 0.00 C ATOM 794 C PHE A 55 -0.503 11.963 13.931 1.00 0.00 C ATOM 795 O PHE A 55 -0.329 12.100 15.141 1.00 0.00 O ATOM 796 CB PHE A 55 1.459 10.408 13.948 1.00 0.00 C ATOM 797 CG PHE A 55 2.650 11.316 13.832 1.00 0.00 C ATOM 798 CD1 PHE A 55 2.598 12.614 14.313 1.00 0.00 C ATOM 799 CD2 PHE A 55 3.822 10.870 13.243 1.00 0.00 C ATOM 800 CE1 PHE A 55 3.692 13.451 14.208 1.00 0.00 C ATOM 801 CE2 PHE A 55 4.921 11.703 13.134 1.00 0.00 C ATOM 802 CZ PHE A 55 4.855 12.995 13.617 1.00 0.00 C ATOM 0 H PHE A 55 1.448 12.016 11.863 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.431 10.040 12.995 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.182 10.320 14.998 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.739 9.411 13.608 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.692 12.976 14.775 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.878 9.860 12.864 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.638 14.461 14.587 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.829 11.344 12.672 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.711 13.648 13.533 1.00 0.00 H new ATOM 812 N SER A 56 -1.334 12.726 13.227 1.00 0.00 N ATOM 813 CA SER A 56 -2.107 13.794 13.850 1.00 0.00 C ATOM 814 C SER A 56 -1.188 14.882 14.398 1.00 0.00 C ATOM 815 O SER A 56 -0.002 14.648 14.630 1.00 0.00 O ATOM 816 CB SER A 56 -2.981 13.234 14.975 1.00 0.00 C ATOM 817 OG SER A 56 -3.196 11.844 14.809 1.00 0.00 O ATOM 0 H SER A 56 -1.489 12.624 12.224 1.00 0.00 H new ATOM 0 HA SER A 56 -2.749 14.235 13.087 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.504 13.419 15.937 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.939 13.754 14.989 1.00 0.00 H new ATOM 0 HG SER A 56 -3.755 11.510 15.541 1.00 0.00 H new ATOM 823 N ASN A 57 -1.743 16.072 14.603 1.00 0.00 N ATOM 824 CA ASN A 57 -0.974 17.195 15.124 1.00 0.00 C ATOM 825 C ASN A 57 -1.634 17.776 16.370 1.00 0.00 C ATOM 826 O ASN A 57 -2.797 17.491 16.660 1.00 0.00 O ATOM 827 CB ASN A 57 -0.831 18.281 14.053 1.00 0.00 C ATOM 828 CG ASN A 57 0.581 18.375 13.510 1.00 0.00 C ATOM 829 OD1 ASN A 57 1.429 17.532 13.803 1.00 0.00 O ATOM 830 ND2 ASN A 57 0.841 19.403 12.712 1.00 0.00 N ATOM 0 H ASN A 57 -2.723 16.283 14.416 1.00 0.00 H new ATOM 0 HA ASN A 57 0.016 16.830 15.398 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.519 18.072 13.234 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.120 19.244 14.475 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.774 19.518 12.315 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.108 20.079 12.495 1.00 0.00 H new ATOM 837 N ASP A 58 -0.884 18.590 17.107 1.00 0.00 N ATOM 838 CA ASP A 58 -1.396 19.211 18.322 1.00 0.00 C ATOM 839 C ASP A 58 -1.793 20.660 18.066 1.00 0.00 C ATOM 840 O ASP A 58 -2.719 21.180 18.690 1.00 0.00 O ATOM 841 CB ASP A 58 -0.346 19.146 19.433 1.00 0.00 C ATOM 842 CG ASP A 58 -0.967 19.147 20.816 1.00 0.00 C ATOM 843 OD1 ASP A 58 -1.395 20.228 21.274 1.00 0.00 O ATOM 844 OD2 ASP A 58 -1.026 18.069 21.442 1.00 0.00 O ATOM 0 H ASP A 58 0.081 18.834 16.883 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.283 18.661 18.636 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.255 18.246 19.308 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.330 19.996 19.341 1.00 0.00 H new ATOM 849 N LYS A 59 -1.088 21.309 17.145 1.00 0.00 N ATOM 850 CA LYS A 59 -1.368 22.700 16.807 1.00 0.00 C ATOM 851 C LYS A 59 -2.627 22.807 15.951 1.00 0.00 C ATOM 852 O LYS A 59 -3.010 21.793 15.332 1.00 0.00 O ATOM 853 CB LYS A 59 -0.177 23.316 16.068 1.00 0.00 C ATOM 854 CG LYS A 59 0.634 24.278 16.919 1.00 0.00 C ATOM 855 CD LYS A 59 2.108 24.242 16.552 1.00 0.00 C ATOM 856 CE LYS A 59 2.770 22.956 17.020 1.00 0.00 C ATOM 857 NZ LYS A 59 3.033 22.023 15.890 1.00 0.00 N ATOM 0 H LYS A 59 -0.319 20.894 16.619 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.533 23.249 17.734 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.475 22.516 15.717 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.540 23.842 15.185 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.251 25.290 16.790 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.514 24.023 17.972 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.217 24.336 15.471 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.616 25.097 16.999 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.709 23.193 17.521 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.131 22.465 17.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.715 21.067 16.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.515 22.344 15.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.052 22.005 15.685 1.00 0.00 H new TER 871 LYS A 59