USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 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 104 LYS NZ :NH3+ 180:sc= 0.742 (180deg=0) USER MOD Set 1.2: A 105 TYR OH : rot -148:sc= 1.71 USER MOD Set 2.1: A 78 MET CE :methyl -178:sc= 0 (180deg=-0.0132) USER MOD Set 2.2: A 88 THR OG1 : rot 3:sc= 0.333 USER MOD Set 3.1: A 7 ASN : amide:sc= -1.11 X(o=0.33,f=-0.12) USER MOD Set 3.2: A 62 SER OG : rot 75:sc= 1.44 USER MOD Single : A 10 THR OG1 : rot -20:sc= 1.34 USER MOD Single : A 12 LYS NZ :NH3+ -123:sc= 0.0581 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.875 K(o=0.87,f=0) USER MOD Single : A 18 SER OG : rot -111:sc= 1.24 USER MOD Single : A 19 SER OG : rot 180:sc= 0.321 USER MOD Single : A 48 TYR OH : rot -23:sc= 1.07 USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= -0.0878 (180deg=-2.07!) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0496) USER MOD Single : A 53 LYS NZ :NH3+ 148:sc= -0.0302 (180deg=-0.602) USER MOD Single : A 54 CYS SG : rot 143:sc= -2.67! USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= 1.04 (180deg=0.806) USER MOD Single : A 58 ASN : amide:sc= 0.0098 K(o=0.0098,f=-11!) USER MOD Single : A 59 THR OG1 : rot 77:sc= 0.0363 USER MOD Single : A 64 ASN : amide:sc= 1.18 K(o=1.2,f=-0.54) USER MOD Single : A 67 SER OG : rot 72:sc= 1.21 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.101 USER MOD Single : A 76 THR OG1 : rot 101:sc= 1.27 USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= 0.325 (180deg=0.246) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 0.527 (180deg=0.499) USER MOD Single : A 86 CYS SG : rot -60:sc= 0.476 USER MOD Single : A 95 LYS NZ :NH3+ -166:sc= 1.4 (180deg=1.27) USER MOD Single : A 97 THR OG1 : rot -170:sc= 0.00413 USER MOD Single : A 100 GLN : amide:sc= -0.609 X(o=-0.61,f=-0.16) USER MOD Single : A 101 THR OG1 : rot 86:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 35 N ALA A 3 -3.101 -0.278 -9.358 1.00 0.00 N ATOM 36 CA ALA A 3 -1.919 -0.774 -8.662 1.00 0.00 C ATOM 37 C ALA A 3 -0.606 -0.285 -9.278 1.00 0.00 C ATOM 38 O ALA A 3 0.102 -1.049 -9.931 1.00 0.00 O ATOM 39 CB ALA A 3 -1.975 -2.302 -8.655 1.00 0.00 C ATOM 0 HA ALA A 3 -1.932 -0.379 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.099 -2.696 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.878 -2.631 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.988 -2.670 -9.681 1.00 0.00 H new ATOM 45 N GLY A 4 -0.260 0.983 -9.059 1.00 0.00 N ATOM 46 CA GLY A 4 0.990 1.529 -9.550 1.00 0.00 C ATOM 47 C GLY A 4 2.167 1.010 -8.720 1.00 0.00 C ATOM 48 O GLY A 4 2.002 0.592 -7.571 1.00 0.00 O ATOM 0 H GLY A 4 -0.835 1.648 -8.542 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.127 1.255 -10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.960 2.618 -9.507 1.00 0.00 H new ATOM 52 N ALA A 5 3.364 1.043 -9.305 1.00 0.00 N ATOM 53 CA ALA A 5 4.598 0.716 -8.611 1.00 0.00 C ATOM 54 C ALA A 5 5.213 2.051 -8.209 1.00 0.00 C ATOM 55 O ALA A 5 5.494 2.869 -9.083 1.00 0.00 O ATOM 56 CB ALA A 5 5.535 -0.072 -9.525 1.00 0.00 C ATOM 0 H ALA A 5 3.500 1.300 -10.283 1.00 0.00 H new ATOM 0 HA ALA A 5 4.418 0.087 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.454 -0.308 -8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.048 -0.997 -9.835 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.772 0.526 -10.405 1.00 0.00 H new ATOM 62 N VAL A 6 5.362 2.294 -6.908 1.00 0.00 N ATOM 63 CA VAL A 6 5.933 3.527 -6.386 1.00 0.00 C ATOM 64 C VAL A 6 7.348 3.269 -5.879 1.00 0.00 C ATOM 65 O VAL A 6 7.750 2.138 -5.603 1.00 0.00 O ATOM 66 CB VAL A 6 5.040 4.159 -5.295 1.00 0.00 C ATOM 67 CG1 VAL A 6 3.874 4.923 -5.923 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.492 3.152 -4.281 1.00 0.00 C ATOM 0 H VAL A 6 5.086 1.632 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 6 5.984 4.252 -7.198 1.00 0.00 H new ATOM 0 HB VAL A 6 5.692 4.841 -4.749 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.259 5.359 -5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.261 5.716 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.270 4.239 -6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.875 3.672 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.889 2.406 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.321 2.659 -3.773 1.00 0.00 H new ATOM 78 N ASN A 7 8.090 4.368 -5.776 1.00 0.00 N ATOM 79 CA ASN A 7 9.466 4.471 -5.332 1.00 0.00 C ATOM 80 C ASN A 7 9.632 5.862 -4.734 1.00 0.00 C ATOM 81 O ASN A 7 8.724 6.684 -4.863 1.00 0.00 O ATOM 82 CB ASN A 7 10.394 4.249 -6.539 1.00 0.00 C ATOM 83 CG ASN A 7 11.868 4.598 -6.331 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.368 5.561 -6.900 1.00 0.00 O ATOM 85 ND2 ASN A 7 12.567 3.845 -5.488 1.00 0.00 N ATOM 0 H ASN A 7 7.708 5.281 -6.022 1.00 0.00 H new ATOM 0 HA ASN A 7 9.721 3.722 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.328 3.202 -6.833 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.017 4.839 -7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.546 4.063 -5.301 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.125 3.049 -5.028 1.00 0.00 H new ATOM 92 N ASP A 8 10.802 6.135 -4.157 1.00 0.00 N ATOM 93 CA ASP A 8 11.148 7.351 -3.423 1.00 0.00 C ATOM 94 C ASP A 8 10.541 8.606 -4.045 1.00 0.00 C ATOM 95 O ASP A 8 9.770 9.311 -3.398 1.00 0.00 O ATOM 96 CB ASP A 8 12.679 7.463 -3.407 1.00 0.00 C ATOM 97 CG ASP A 8 13.175 8.649 -2.587 1.00 0.00 C ATOM 98 OD1 ASP A 8 13.024 9.789 -3.073 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.739 8.387 -1.502 1.00 0.00 O ATOM 0 H ASP A 8 11.579 5.475 -4.192 1.00 0.00 H new ATOM 0 HA ASP A 8 10.741 7.280 -2.414 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.102 6.544 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.043 7.557 -4.430 1.00 0.00 H new ATOM 104 N ASP A 9 10.872 8.851 -5.310 1.00 0.00 N ATOM 105 CA ASP A 9 10.390 10.009 -6.049 1.00 0.00 C ATOM 106 C ASP A 9 8.861 10.067 -6.063 1.00 0.00 C ATOM 107 O ASP A 9 8.247 10.956 -5.481 1.00 0.00 O ATOM 108 CB ASP A 9 10.925 9.941 -7.483 1.00 0.00 C ATOM 109 CG ASP A 9 10.330 11.053 -8.339 1.00 0.00 C ATOM 110 OD1 ASP A 9 10.754 12.210 -8.139 1.00 0.00 O ATOM 111 OD2 ASP A 9 9.455 10.719 -9.167 1.00 0.00 O ATOM 0 H ASP A 9 11.487 8.245 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 9 10.749 10.912 -5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.012 10.025 -7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.684 8.972 -7.920 1.00 0.00 H new ATOM 116 N THR A 10 8.256 9.096 -6.743 1.00 0.00 N ATOM 117 CA THR A 10 6.817 9.023 -6.959 1.00 0.00 C ATOM 118 C THR A 10 6.036 9.103 -5.643 1.00 0.00 C ATOM 119 O THR A 10 5.056 9.838 -5.556 1.00 0.00 O ATOM 120 CB THR A 10 6.506 7.723 -7.709 1.00 0.00 C ATOM 121 OG1 THR A 10 7.028 6.632 -6.984 1.00 0.00 O ATOM 122 CG2 THR A 10 7.135 7.702 -9.105 1.00 0.00 C ATOM 0 H THR A 10 8.766 8.322 -7.168 1.00 0.00 H new ATOM 0 HA THR A 10 6.501 9.880 -7.554 1.00 0.00 H new ATOM 0 HB THR A 10 5.423 7.656 -7.810 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.722 6.950 -6.370 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.889 6.763 -9.601 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.747 8.534 -9.692 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.218 7.794 -9.018 1.00 0.00 H new ATOM 130 N PHE A 11 6.478 8.349 -4.632 1.00 0.00 N ATOM 131 CA PHE A 11 5.896 8.233 -3.301 1.00 0.00 C ATOM 132 C PHE A 11 5.460 9.593 -2.762 1.00 0.00 C ATOM 133 O PHE A 11 4.333 9.789 -2.311 1.00 0.00 O ATOM 134 CB PHE A 11 6.953 7.607 -2.386 1.00 0.00 C ATOM 135 CG PHE A 11 6.484 7.264 -0.992 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.850 6.033 -0.738 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.769 8.138 0.070 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.468 5.698 0.573 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.426 7.781 1.383 1.00 0.00 C ATOM 140 CZ PHE A 11 5.758 6.572 1.634 1.00 0.00 C ATOM 0 H PHE A 11 7.309 7.766 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 11 5.003 7.609 -3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.326 6.699 -2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.795 8.295 -2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.657 5.347 -1.549 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.252 9.084 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.952 4.769 0.764 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.677 8.438 2.203 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.467 6.314 2.642 1.00 0.00 H new ATOM 150 N LYS A 12 6.379 10.545 -2.832 1.00 0.00 N ATOM 151 CA LYS A 12 6.157 11.916 -2.391 1.00 0.00 C ATOM 152 C LYS A 12 4.844 12.463 -2.957 1.00 0.00 C ATOM 153 O LYS A 12 4.024 13.015 -2.230 1.00 0.00 O ATOM 154 CB LYS A 12 7.334 12.788 -2.839 1.00 0.00 C ATOM 155 CG LYS A 12 8.626 12.360 -2.132 1.00 0.00 C ATOM 156 CD LYS A 12 9.854 12.973 -2.811 1.00 0.00 C ATOM 157 CE LYS A 12 11.127 12.455 -2.131 1.00 0.00 C ATOM 158 NZ LYS A 12 12.340 12.890 -2.845 1.00 0.00 N ATOM 0 H LYS A 12 7.316 10.385 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 12 6.086 11.932 -1.303 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.461 12.709 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.122 13.834 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.592 12.669 -1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.706 11.273 -2.141 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.864 12.715 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.812 14.060 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.162 12.813 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.100 11.366 -2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.899 12.057 -3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.070 13.421 -3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.909 13.500 -2.223 1.00 0.00 H new ATOM 172 N ASN A 13 4.631 12.285 -4.258 1.00 0.00 N ATOM 173 CA ASN A 13 3.460 12.786 -4.950 1.00 0.00 C ATOM 174 C ASN A 13 2.255 11.863 -4.752 1.00 0.00 C ATOM 175 O ASN A 13 1.217 12.269 -4.238 1.00 0.00 O ATOM 176 CB ASN A 13 3.788 12.918 -6.444 1.00 0.00 C ATOM 177 CG ASN A 13 4.978 13.823 -6.768 1.00 0.00 C ATOM 178 OD1 ASN A 13 5.698 13.564 -7.726 1.00 0.00 O ATOM 179 ND2 ASN A 13 5.218 14.887 -6.004 1.00 0.00 N ATOM 0 H ASN A 13 5.279 11.781 -4.864 1.00 0.00 H new ATOM 0 HA ASN A 13 3.196 13.759 -4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.987 11.924 -6.846 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.908 13.301 -6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.008 15.497 -6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.612 15.092 -5.210 1.00 0.00 H new ATOM 186 N VAL A 14 2.405 10.612 -5.182 1.00 0.00 N ATOM 187 CA VAL A 14 1.369 9.589 -5.240 1.00 0.00 C ATOM 188 C VAL A 14 0.853 9.178 -3.860 1.00 0.00 C ATOM 189 O VAL A 14 -0.315 8.810 -3.741 1.00 0.00 O ATOM 190 CB VAL A 14 1.958 8.388 -6.016 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.012 7.184 -6.111 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.330 8.797 -7.451 1.00 0.00 C ATOM 0 H VAL A 14 3.305 10.268 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 14 0.493 9.988 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 14 2.836 8.089 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.497 6.383 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.769 6.832 -5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.096 7.480 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.742 7.937 -7.979 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.439 9.149 -7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.072 9.595 -7.421 1.00 0.00 H new ATOM 202 N VAL A 15 1.700 9.221 -2.829 1.00 0.00 N ATOM 203 CA VAL A 15 1.369 8.734 -1.498 1.00 0.00 C ATOM 204 C VAL A 15 1.279 9.870 -0.478 1.00 0.00 C ATOM 205 O VAL A 15 0.259 9.999 0.195 1.00 0.00 O ATOM 206 CB VAL A 15 2.411 7.688 -1.070 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.968 7.042 0.239 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.596 6.612 -2.148 1.00 0.00 C ATOM 0 H VAL A 15 2.644 9.600 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 15 0.383 8.271 -1.534 1.00 0.00 H new ATOM 0 HB VAL A 15 3.369 8.190 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.705 6.299 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.880 7.807 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.002 6.558 0.097 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.339 5.887 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.647 6.105 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.933 7.078 -3.074 1.00 0.00 H new ATOM 218 N LEU A 16 2.334 10.673 -0.312 1.00 0.00 N ATOM 219 CA LEU A 16 2.302 11.711 0.712 1.00 0.00 C ATOM 220 C LEU A 16 1.350 12.829 0.287 1.00 0.00 C ATOM 221 O LEU A 16 0.346 13.065 0.958 1.00 0.00 O ATOM 222 CB LEU A 16 3.713 12.224 1.034 1.00 0.00 C ATOM 223 CG LEU A 16 4.691 11.102 1.425 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.015 11.728 1.877 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.127 10.224 2.549 1.00 0.00 C ATOM 0 H LEU A 16 3.195 10.625 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 16 1.919 11.285 1.639 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.106 12.754 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.653 12.945 1.849 1.00 0.00 H new ATOM 0 HG LEU A 16 4.848 10.466 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.714 10.939 2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.437 12.315 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.837 12.375 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.846 9.444 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.939 10.837 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.194 9.766 2.220 1.00 0.00 H new ATOM 237 N GLU A 17 1.601 13.485 -0.846 1.00 0.00 N ATOM 238 CA GLU A 17 0.749 14.564 -1.340 1.00 0.00 C ATOM 239 C GLU A 17 -0.495 13.992 -2.039 1.00 0.00 C ATOM 240 O GLU A 17 -0.895 14.488 -3.091 1.00 0.00 O ATOM 241 CB GLU A 17 1.559 15.436 -2.310 1.00 0.00 C ATOM 242 CG GLU A 17 2.829 16.031 -1.685 1.00 0.00 C ATOM 243 CD GLU A 17 3.707 16.689 -2.746 1.00 0.00 C ATOM 244 OE1 GLU A 17 4.175 15.949 -3.640 1.00 0.00 O ATOM 245 OE2 GLU A 17 3.892 17.921 -2.649 1.00 0.00 O ATOM 0 H GLU A 17 2.401 13.283 -1.446 1.00 0.00 H new ATOM 0 HA GLU A 17 0.411 15.172 -0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.837 14.838 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.927 16.247 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.556 16.766 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.391 15.246 -1.179 1.00 0.00 H new ATOM 252 N SER A 18 -1.115 12.956 -1.466 1.00 0.00 N ATOM 253 CA SER A 18 -2.285 12.319 -2.045 1.00 0.00 C ATOM 254 C SER A 18 -3.556 12.998 -1.527 1.00 0.00 C ATOM 255 O SER A 18 -3.587 13.514 -0.410 1.00 0.00 O ATOM 256 CB SER A 18 -2.263 10.822 -1.718 1.00 0.00 C ATOM 257 OG SER A 18 -2.331 10.607 -0.321 1.00 0.00 O ATOM 0 H SER A 18 -0.813 12.540 -0.585 1.00 0.00 H new ATOM 0 HA SER A 18 -2.273 12.427 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.102 10.327 -2.207 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.353 10.373 -2.115 1.00 0.00 H new ATOM 0 HG SER A 18 -1.476 10.248 -0.003 1.00 0.00 H new ATOM 263 N SER A 19 -4.597 13.026 -2.360 1.00 0.00 N ATOM 264 CA SER A 19 -5.904 13.567 -2.034 1.00 0.00 C ATOM 265 C SER A 19 -6.728 12.453 -1.391 1.00 0.00 C ATOM 266 O SER A 19 -7.130 12.524 -0.233 1.00 0.00 O ATOM 267 CB SER A 19 -6.536 14.040 -3.346 1.00 0.00 C ATOM 268 OG SER A 19 -6.295 13.061 -4.350 1.00 0.00 O ATOM 0 H SER A 19 -4.545 12.659 -3.310 1.00 0.00 H new ATOM 0 HA SER A 19 -5.849 14.404 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.608 14.191 -3.216 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.113 14.999 -3.645 1.00 0.00 H new ATOM 0 HG SER A 19 -6.697 13.353 -5.195 1.00 0.00 H new ATOM 274 N VAL A 20 -6.963 11.413 -2.187 1.00 0.00 N ATOM 275 CA VAL A 20 -7.677 10.208 -1.797 1.00 0.00 C ATOM 276 C VAL A 20 -6.715 9.318 -1.001 1.00 0.00 C ATOM 277 O VAL A 20 -5.505 9.395 -1.222 1.00 0.00 O ATOM 278 CB VAL A 20 -8.188 9.492 -3.060 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.147 10.399 -3.843 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.047 9.019 -3.980 1.00 0.00 C ATOM 0 H VAL A 20 -6.648 11.389 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.539 10.446 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.719 8.603 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.498 9.876 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.999 10.657 -3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.626 11.309 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.467 8.521 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.458 9.878 -4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.408 8.322 -3.438 1.00 0.00 H new ATOM 290 N PRO A 21 -7.206 8.484 -0.068 1.00 0.00 N ATOM 291 CA PRO A 21 -6.326 7.630 0.706 1.00 0.00 C ATOM 292 C PRO A 21 -5.780 6.524 -0.181 1.00 0.00 C ATOM 293 O PRO A 21 -6.368 6.209 -1.217 1.00 0.00 O ATOM 294 CB PRO A 21 -7.155 7.078 1.856 1.00 0.00 C ATOM 295 CG PRO A 21 -8.563 7.070 1.272 1.00 0.00 C ATOM 296 CD PRO A 21 -8.599 8.228 0.265 1.00 0.00 C ATOM 0 HA PRO A 21 -5.467 8.174 1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.831 6.079 2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.087 7.707 2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.780 6.120 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.312 7.206 2.052 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.174 7.961 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.070 9.111 0.697 1.00 0.00 H new ATOM 304 N VAL A 22 -4.676 5.914 0.250 1.00 0.00 N ATOM 305 CA VAL A 22 -3.960 4.965 -0.576 1.00 0.00 C ATOM 306 C VAL A 22 -3.191 3.869 0.171 1.00 0.00 C ATOM 307 O VAL A 22 -2.469 4.148 1.125 1.00 0.00 O ATOM 308 CB VAL A 22 -3.121 5.771 -1.590 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.616 5.501 -1.538 1.00 0.00 C ATOM 310 CG2 VAL A 22 -3.699 5.499 -2.978 1.00 0.00 C ATOM 0 H VAL A 22 -4.264 6.066 1.170 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.689 4.352 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.195 6.826 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.111 6.112 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.236 5.751 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.428 4.447 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.130 6.054 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.639 4.432 -3.195 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.741 5.817 -3.007 1.00 0.00 H new ATOM 320 N LEU A 23 -3.339 2.611 -0.285 1.00 0.00 N ATOM 321 CA LEU A 23 -2.707 1.453 0.318 1.00 0.00 C ATOM 322 C LEU A 23 -1.384 1.215 -0.380 1.00 0.00 C ATOM 323 O LEU A 23 -1.378 0.817 -1.543 1.00 0.00 O ATOM 324 CB LEU A 23 -3.636 0.253 0.139 1.00 0.00 C ATOM 325 CG LEU A 23 -3.252 -1.031 0.876 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.498 -1.915 1.004 1.00 0.00 C ATOM 327 CD2 LEU A 23 -2.182 -1.818 0.098 1.00 0.00 C ATOM 0 H LEU A 23 -3.913 2.381 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.525 1.607 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.635 0.545 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.699 0.028 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.853 -0.762 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.239 -2.835 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.266 -1.382 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.876 -2.157 0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.928 -2.726 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.569 -2.084 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.290 -1.203 -0.017 1.00 0.00 H new ATOM 339 N VAL A 24 -0.279 1.472 0.314 1.00 0.00 N ATOM 340 CA VAL A 24 1.043 1.196 -0.206 1.00 0.00 C ATOM 341 C VAL A 24 1.455 -0.162 0.340 1.00 0.00 C ATOM 342 O VAL A 24 1.688 -0.292 1.547 1.00 0.00 O ATOM 343 CB VAL A 24 2.034 2.286 0.217 1.00 0.00 C ATOM 344 CG1 VAL A 24 3.438 1.947 -0.298 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.612 3.631 -0.375 1.00 0.00 C ATOM 0 H VAL A 24 -0.282 1.877 1.250 1.00 0.00 H new ATOM 0 HA VAL A 24 1.039 1.186 -1.296 1.00 0.00 H new ATOM 0 HB VAL A 24 2.042 2.343 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.136 2.727 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.757 0.991 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.420 1.881 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.321 4.401 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.597 3.561 -1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.617 3.891 -0.015 1.00 0.00 H new ATOM 355 N ASP A 25 1.523 -1.173 -0.531 1.00 0.00 N ATOM 356 CA ASP A 25 2.019 -2.476 -0.132 1.00 0.00 C ATOM 357 C ASP A 25 3.533 -2.436 -0.309 1.00 0.00 C ATOM 358 O ASP A 25 4.015 -2.305 -1.433 1.00 0.00 O ATOM 359 CB ASP A 25 1.403 -3.597 -0.974 1.00 0.00 C ATOM 360 CG ASP A 25 2.048 -4.950 -0.661 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.421 -5.157 0.514 1.00 0.00 O ATOM 362 OD2 ASP A 25 2.155 -5.754 -1.612 1.00 0.00 O ATOM 0 H ASP A 25 1.241 -1.107 -1.509 1.00 0.00 H new ATOM 0 HA ASP A 25 1.746 -2.688 0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.331 -3.650 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.527 -3.369 -2.033 1.00 0.00 H new ATOM 367 N PHE A 26 4.294 -2.508 0.778 1.00 0.00 N ATOM 368 CA PHE A 26 5.744 -2.537 0.712 1.00 0.00 C ATOM 369 C PHE A 26 6.077 -3.975 0.344 1.00 0.00 C ATOM 370 O PHE A 26 5.841 -4.870 1.154 1.00 0.00 O ATOM 371 CB PHE A 26 6.362 -2.129 2.054 1.00 0.00 C ATOM 372 CG PHE A 26 6.236 -0.652 2.392 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.974 -0.074 2.624 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.390 0.141 2.530 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.872 1.268 3.016 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.289 1.467 2.988 1.00 0.00 C ATOM 377 CZ PHE A 26 6.028 2.021 3.264 1.00 0.00 C ATOM 0 H PHE A 26 3.920 -2.548 1.726 1.00 0.00 H new ATOM 0 HA PHE A 26 6.147 -1.832 -0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.891 -2.710 2.847 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.419 -2.397 2.048 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.080 -0.667 2.499 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.358 -0.270 2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.899 1.723 3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.181 2.059 3.128 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.950 3.021 3.665 1.00 0.00 H new ATOM 387 N TRP A 27 6.559 -4.197 -0.881 1.00 0.00 N ATOM 388 CA TRP A 27 6.788 -5.532 -1.412 1.00 0.00 C ATOM 389 C TRP A 27 8.181 -5.661 -2.011 1.00 0.00 C ATOM 390 O TRP A 27 8.990 -4.744 -1.962 1.00 0.00 O ATOM 391 CB TRP A 27 5.743 -5.816 -2.500 1.00 0.00 C ATOM 392 CG TRP A 27 6.016 -5.122 -3.799 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.960 -3.790 -4.008 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.567 -5.692 -5.019 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.496 -3.482 -5.240 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.913 -4.623 -5.896 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.868 -7.003 -5.448 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.556 -4.844 -7.123 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.428 -7.233 -6.717 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.781 -6.160 -7.550 1.00 0.00 C ATOM 0 H TRP A 27 6.801 -3.449 -1.531 1.00 0.00 H new ATOM 0 HA TRP A 27 6.703 -6.249 -0.596 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.699 -6.891 -2.676 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.762 -5.512 -2.136 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.555 -3.071 -3.312 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.574 -2.537 -5.617 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.666 -7.838 -4.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.874 -4.010 -7.731 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.588 -8.246 -7.054 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.224 -6.348 -8.517 1.00 0.00 H new ATOM 411 N ALA A 28 8.450 -6.798 -2.642 1.00 0.00 N ATOM 412 CA ALA A 28 9.663 -7.032 -3.408 1.00 0.00 C ATOM 413 C ALA A 28 9.457 -8.328 -4.183 1.00 0.00 C ATOM 414 O ALA A 28 8.719 -9.188 -3.707 1.00 0.00 O ATOM 415 CB ALA A 28 10.886 -7.162 -2.498 1.00 0.00 C ATOM 0 H ALA A 28 7.817 -7.598 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 28 9.848 -6.190 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.774 -7.336 -3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.013 -6.243 -1.925 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.744 -7.999 -1.815 1.00 0.00 H new ATOM 421 N PRO A 29 10.071 -8.516 -5.357 1.00 0.00 N ATOM 422 CA PRO A 29 9.929 -9.752 -6.114 1.00 0.00 C ATOM 423 C PRO A 29 10.295 -10.988 -5.288 1.00 0.00 C ATOM 424 O PRO A 29 9.606 -12.002 -5.362 1.00 0.00 O ATOM 425 CB PRO A 29 10.802 -9.572 -7.356 1.00 0.00 C ATOM 426 CG PRO A 29 11.739 -8.413 -7.006 1.00 0.00 C ATOM 427 CD PRO A 29 10.873 -7.554 -6.090 1.00 0.00 C ATOM 0 HA PRO A 29 8.892 -9.934 -6.396 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.362 -10.480 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.199 -9.343 -8.234 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.642 -8.759 -6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.057 -7.866 -7.894 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.482 -6.948 -5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.248 -6.867 -6.661 1.00 0.00 H new ATOM 435 N TRP A 30 11.351 -10.910 -4.474 1.00 0.00 N ATOM 436 CA TRP A 30 11.743 -12.019 -3.611 1.00 0.00 C ATOM 437 C TRP A 30 10.740 -12.234 -2.468 1.00 0.00 C ATOM 438 O TRP A 30 10.755 -13.288 -1.834 1.00 0.00 O ATOM 439 CB TRP A 30 13.153 -11.769 -3.060 1.00 0.00 C ATOM 440 CG TRP A 30 13.395 -10.447 -2.394 1.00 0.00 C ATOM 441 CD1 TRP A 30 14.056 -9.411 -2.954 1.00 0.00 C ATOM 442 CD2 TRP A 30 13.025 -10.000 -1.052 1.00 0.00 C ATOM 443 NE1 TRP A 30 14.110 -8.355 -2.072 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.479 -8.657 -0.883 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.360 -10.591 0.044 1.00 0.00 C ATOM 446 CZ2 TRP A 30 13.255 -7.930 0.296 1.00 0.00 C ATOM 447 CZ3 TRP A 30 12.124 -9.870 1.229 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.556 -8.538 1.353 1.00 0.00 C ATOM 0 H TRP A 30 11.949 -10.087 -4.397 1.00 0.00 H new ATOM 0 HA TRP A 30 11.746 -12.931 -4.207 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.382 -12.557 -2.343 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.862 -11.870 -3.882 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.480 -9.411 -3.947 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.560 -7.462 -2.273 1.00 0.00 H new ATOM 0 HE3 TRP A 30 12.026 -11.616 -0.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.615 -6.916 0.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.607 -10.344 2.050 1.00 0.00 H new ATOM 0 HH2 TRP A 30 12.352 -7.984 2.257 1.00 0.00 H new ATOM 459 N CYS A 31 9.842 -11.282 -2.203 1.00 0.00 N ATOM 460 CA CYS A 31 8.904 -11.390 -1.096 1.00 0.00 C ATOM 461 C CYS A 31 7.748 -12.341 -1.411 1.00 0.00 C ATOM 462 O CYS A 31 6.670 -11.894 -1.794 1.00 0.00 O ATOM 463 CB CYS A 31 8.333 -10.018 -0.754 1.00 0.00 C ATOM 464 SG CYS A 31 7.221 -10.109 0.660 1.00 0.00 S ATOM 0 H CYS A 31 9.749 -10.424 -2.747 1.00 0.00 H new ATOM 0 HA CYS A 31 9.458 -11.792 -0.248 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.147 -9.327 -0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.798 -9.619 -1.616 1.00 0.00 H new ATOM 469 N GLY A 32 7.945 -13.645 -1.210 1.00 0.00 N ATOM 470 CA GLY A 32 6.901 -14.656 -1.387 1.00 0.00 C ATOM 471 C GLY A 32 5.516 -14.219 -0.890 1.00 0.00 C ATOM 472 O GLY A 32 4.592 -14.140 -1.702 1.00 0.00 O ATOM 0 H GLY A 32 8.842 -14.033 -0.917 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.832 -14.911 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.195 -15.563 -0.859 1.00 0.00 H new ATOM 476 N PRO A 33 5.343 -13.931 0.416 1.00 0.00 N ATOM 477 CA PRO A 33 4.049 -13.545 0.961 1.00 0.00 C ATOM 478 C PRO A 33 3.484 -12.273 0.329 1.00 0.00 C ATOM 479 O PRO A 33 2.274 -12.078 0.364 1.00 0.00 O ATOM 480 CB PRO A 33 4.230 -13.413 2.475 1.00 0.00 C ATOM 481 CG PRO A 33 5.736 -13.280 2.674 1.00 0.00 C ATOM 482 CD PRO A 33 6.331 -14.030 1.482 1.00 0.00 C ATOM 0 HA PRO A 33 3.306 -14.307 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.701 -12.543 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.837 -14.284 2.998 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.047 -12.235 2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.054 -13.717 3.620 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.280 -13.589 1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.530 -15.071 1.735 1.00 0.00 H new ATOM 490 N CYS A 34 4.320 -11.400 -0.241 1.00 0.00 N ATOM 491 CA CYS A 34 3.818 -10.239 -0.946 1.00 0.00 C ATOM 492 C CYS A 34 3.328 -10.728 -2.302 1.00 0.00 C ATOM 493 O CYS A 34 2.161 -10.580 -2.637 1.00 0.00 O ATOM 494 CB CYS A 34 4.887 -9.176 -1.163 1.00 0.00 C ATOM 495 SG CYS A 34 5.862 -8.600 0.245 1.00 0.00 S ATOM 0 H CYS A 34 5.337 -11.482 -0.223 1.00 0.00 H new ATOM 0 HA CYS A 34 3.029 -9.777 -0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.584 -9.560 -1.908 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.399 -8.305 -1.601 1.00 0.00 H new ATOM 500 N ARG A 35 4.240 -11.338 -3.065 1.00 0.00 N ATOM 501 CA ARG A 35 4.065 -11.854 -4.413 1.00 0.00 C ATOM 502 C ARG A 35 2.747 -12.603 -4.560 1.00 0.00 C ATOM 503 O ARG A 35 1.973 -12.320 -5.467 1.00 0.00 O ATOM 504 CB ARG A 35 5.236 -12.797 -4.728 1.00 0.00 C ATOM 505 CG ARG A 35 5.375 -13.093 -6.227 1.00 0.00 C ATOM 506 CD ARG A 35 6.292 -14.303 -6.441 1.00 0.00 C ATOM 507 NE ARG A 35 7.586 -14.114 -5.767 1.00 0.00 N ATOM 508 CZ ARG A 35 8.226 -14.996 -4.985 1.00 0.00 C ATOM 509 NH1 ARG A 35 7.786 -16.250 -4.826 1.00 0.00 N ATOM 510 NH2 ARG A 35 9.328 -14.588 -4.355 1.00 0.00 N ATOM 0 H ARG A 35 5.189 -11.492 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 35 4.046 -11.017 -5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.162 -12.353 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.097 -13.734 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.394 -13.289 -6.660 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.782 -12.223 -6.742 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.808 -15.202 -6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.453 -14.456 -7.508 1.00 0.00 H new ATOM 0 HE ARG A 35 8.046 -13.215 -5.910 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.941 -16.559 -5.307 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.296 -16.897 -4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 35 9.660 -13.631 -4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.839 -15.233 -3.752 1.00 0.00 H new ATOM 524 N ILE A 36 2.500 -13.567 -3.674 1.00 0.00 N ATOM 525 CA ILE A 36 1.295 -14.383 -3.764 1.00 0.00 C ATOM 526 C ILE A 36 0.022 -13.582 -3.431 1.00 0.00 C ATOM 527 O ILE A 36 -1.058 -13.980 -3.862 1.00 0.00 O ATOM 528 CB ILE A 36 1.457 -15.682 -2.944 1.00 0.00 C ATOM 529 CG1 ILE A 36 1.708 -15.465 -1.440 1.00 0.00 C ATOM 530 CG2 ILE A 36 2.626 -16.491 -3.528 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.407 -15.573 -0.643 1.00 0.00 C ATOM 0 H ILE A 36 3.114 -13.799 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 36 1.160 -14.689 -4.801 1.00 0.00 H new ATOM 0 HB ILE A 36 0.507 -16.211 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.423 -16.204 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.155 -14.484 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.752 -17.412 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.415 -16.735 -4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.541 -15.901 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.615 -15.416 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.297 -14.817 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.025 -16.564 -0.784 1.00 0.00 H new ATOM 543 N ILE A 37 0.117 -12.472 -2.686 1.00 0.00 N ATOM 544 CA ILE A 37 -1.022 -11.605 -2.369 1.00 0.00 C ATOM 545 C ILE A 37 -1.175 -10.496 -3.423 1.00 0.00 C ATOM 546 O ILE A 37 -2.289 -10.035 -3.665 1.00 0.00 O ATOM 547 CB ILE A 37 -0.875 -11.064 -0.934 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.927 -12.207 0.096 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.974 -10.052 -0.581 1.00 0.00 C ATOM 550 CD1 ILE A 37 -2.213 -13.046 0.109 1.00 0.00 C ATOM 0 H ILE A 37 0.997 -12.149 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.947 -12.181 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 37 0.094 -10.566 -0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.084 -12.873 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.785 -11.781 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.829 -9.699 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.925 -9.207 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.950 -10.531 -0.664 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.135 -13.819 0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.065 -12.403 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.353 -13.512 -0.866 1.00 0.00 H new ATOM 562 N ALA A 38 -0.089 -10.086 -4.089 1.00 0.00 N ATOM 563 CA ALA A 38 -0.074 -9.065 -5.131 1.00 0.00 C ATOM 564 C ALA A 38 -1.277 -9.129 -6.087 1.00 0.00 C ATOM 565 O ALA A 38 -1.853 -8.074 -6.329 1.00 0.00 O ATOM 566 CB ALA A 38 1.243 -9.134 -5.912 1.00 0.00 C ATOM 0 H ALA A 38 0.836 -10.474 -3.906 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.156 -8.105 -4.622 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.246 -8.369 -6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.078 -8.965 -5.232 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.342 -10.117 -6.372 1.00 0.00 H new ATOM 572 N PRO A 39 -1.719 -10.292 -6.609 1.00 0.00 N ATOM 573 CA PRO A 39 -2.865 -10.363 -7.504 1.00 0.00 C ATOM 574 C PRO A 39 -4.112 -9.824 -6.808 1.00 0.00 C ATOM 575 O PRO A 39 -4.934 -9.157 -7.428 1.00 0.00 O ATOM 576 CB PRO A 39 -3.029 -11.840 -7.888 1.00 0.00 C ATOM 577 CG PRO A 39 -1.658 -12.440 -7.582 1.00 0.00 C ATOM 578 CD PRO A 39 -1.251 -11.638 -6.352 1.00 0.00 C ATOM 0 HA PRO A 39 -2.717 -9.754 -8.396 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.817 -12.321 -7.308 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.292 -11.955 -8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.713 -13.509 -7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.958 -12.310 -8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.702 -12.047 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.171 -11.659 -6.207 1.00 0.00 H new ATOM 586 N VAL A 40 -4.241 -10.102 -5.509 1.00 0.00 N ATOM 587 CA VAL A 40 -5.341 -9.594 -4.702 1.00 0.00 C ATOM 588 C VAL A 40 -5.195 -8.078 -4.569 1.00 0.00 C ATOM 589 O VAL A 40 -6.173 -7.343 -4.698 1.00 0.00 O ATOM 590 CB VAL A 40 -5.407 -10.326 -3.338 1.00 0.00 C ATOM 591 CG1 VAL A 40 -5.274 -9.420 -2.103 1.00 0.00 C ATOM 592 CG2 VAL A 40 -6.750 -11.051 -3.237 1.00 0.00 C ATOM 0 H VAL A 40 -3.584 -10.686 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.295 -9.795 -5.189 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.550 -10.999 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.333 -10.026 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.314 -8.904 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.081 -8.687 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.811 -11.572 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.561 -10.326 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.836 -11.773 -4.049 1.00 0.00 H new ATOM 602 N VAL A 41 -3.976 -7.593 -4.321 1.00 0.00 N ATOM 603 CA VAL A 41 -3.749 -6.158 -4.204 1.00 0.00 C ATOM 604 C VAL A 41 -4.157 -5.493 -5.531 1.00 0.00 C ATOM 605 O VAL A 41 -4.819 -4.455 -5.549 1.00 0.00 O ATOM 606 CB VAL A 41 -2.284 -5.860 -3.817 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.135 -4.381 -3.443 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.813 -6.689 -2.617 1.00 0.00 C ATOM 0 H VAL A 41 -3.142 -8.168 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.360 -5.742 -3.403 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.676 -6.118 -4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.099 -4.177 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.416 -3.760 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.784 -4.152 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.777 -6.440 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.440 -6.467 -1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.887 -7.750 -2.856 1.00 0.00 H new ATOM 618 N ASP A 42 -3.798 -6.121 -6.652 1.00 0.00 N ATOM 619 CA ASP A 42 -4.126 -5.635 -7.981 1.00 0.00 C ATOM 620 C ASP A 42 -5.635 -5.659 -8.204 1.00 0.00 C ATOM 621 O ASP A 42 -6.196 -4.671 -8.667 1.00 0.00 O ATOM 622 CB ASP A 42 -3.427 -6.466 -9.062 1.00 0.00 C ATOM 623 CG ASP A 42 -1.904 -6.461 -8.960 1.00 0.00 C ATOM 624 OD1 ASP A 42 -1.350 -5.396 -8.610 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.313 -7.526 -9.242 1.00 0.00 O ATOM 0 H ASP A 42 -3.265 -6.991 -6.656 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.772 -4.607 -8.054 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.782 -7.495 -9.001 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.717 -6.086 -10.042 1.00 0.00 H new ATOM 630 N GLU A 43 -6.304 -6.773 -7.896 1.00 0.00 N ATOM 631 CA GLU A 43 -7.744 -6.887 -8.097 1.00 0.00 C ATOM 632 C GLU A 43 -8.467 -5.832 -7.259 1.00 0.00 C ATOM 633 O GLU A 43 -9.412 -5.214 -7.741 1.00 0.00 O ATOM 634 CB GLU A 43 -8.236 -8.320 -7.831 1.00 0.00 C ATOM 635 CG GLU A 43 -8.824 -8.580 -6.433 1.00 0.00 C ATOM 636 CD GLU A 43 -9.072 -10.064 -6.179 1.00 0.00 C ATOM 637 OE1 GLU A 43 -8.184 -10.871 -6.530 1.00 0.00 O ATOM 638 OE2 GLU A 43 -10.146 -10.373 -5.620 1.00 0.00 O ATOM 0 H GLU A 43 -5.867 -7.608 -7.506 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.981 -6.688 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.994 -8.567 -8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.402 -9.004 -7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.142 -8.193 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.761 -8.033 -6.327 1.00 0.00 H new ATOM 645 N ILE A 44 -8.015 -5.596 -6.022 1.00 0.00 N ATOM 646 CA ILE A 44 -8.557 -4.532 -5.182 1.00 0.00 C ATOM 647 C ILE A 44 -8.491 -3.227 -5.979 1.00 0.00 C ATOM 648 O ILE A 44 -9.473 -2.485 -6.059 1.00 0.00 O ATOM 649 CB ILE A 44 -7.779 -4.487 -3.849 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.383 -5.526 -2.891 1.00 0.00 C ATOM 651 CG2 ILE A 44 -7.824 -3.109 -3.181 1.00 0.00 C ATOM 652 CD1 ILE A 44 -7.447 -5.847 -1.720 1.00 0.00 C ATOM 0 H ILE A 44 -7.269 -6.135 -5.582 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.600 -4.706 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.734 -4.706 -4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.331 -5.153 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.601 -6.441 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.260 -3.138 -2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.385 -2.367 -3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.859 -2.840 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.917 -6.586 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.508 -6.246 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.250 -4.938 -1.152 1.00 0.00 H new ATOM 664 N ALA A 45 -7.339 -2.956 -6.596 1.00 0.00 N ATOM 665 CA ALA A 45 -7.184 -1.792 -7.452 1.00 0.00 C ATOM 666 C ALA A 45 -8.235 -1.831 -8.566 1.00 0.00 C ATOM 667 O ALA A 45 -8.965 -0.869 -8.761 1.00 0.00 O ATOM 668 CB ALA A 45 -5.771 -1.764 -8.036 1.00 0.00 C ATOM 0 H ALA A 45 -6.501 -3.532 -6.514 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.332 -0.884 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.660 -0.890 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.043 -1.715 -7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.601 -2.667 -8.622 1.00 0.00 H new ATOM 674 N GLY A 46 -8.313 -2.952 -9.289 1.00 0.00 N ATOM 675 CA GLY A 46 -9.272 -3.180 -10.360 1.00 0.00 C ATOM 676 C GLY A 46 -10.700 -2.826 -9.940 1.00 0.00 C ATOM 677 O GLY A 46 -11.445 -2.248 -10.729 1.00 0.00 O ATOM 0 H GLY A 46 -7.690 -3.745 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.992 -2.585 -11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.233 -4.226 -10.664 1.00 0.00 H new ATOM 681 N GLU A 47 -11.085 -3.192 -8.713 1.00 0.00 N ATOM 682 CA GLU A 47 -12.387 -2.874 -8.158 1.00 0.00 C ATOM 683 C GLU A 47 -12.507 -1.365 -7.933 1.00 0.00 C ATOM 684 O GLU A 47 -13.239 -0.674 -8.640 1.00 0.00 O ATOM 685 CB GLU A 47 -12.594 -3.650 -6.846 1.00 0.00 C ATOM 686 CG GLU A 47 -12.672 -5.166 -7.080 1.00 0.00 C ATOM 687 CD GLU A 47 -12.728 -5.966 -5.777 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.216 -5.453 -4.758 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.273 -7.090 -5.824 1.00 0.00 O ATOM 0 H GLU A 47 -10.489 -3.723 -8.078 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.166 -3.172 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.774 -3.431 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.511 -3.310 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.555 -5.392 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.805 -5.484 -7.659 1.00 0.00 H new ATOM 696 N TYR A 48 -11.774 -0.835 -6.954 1.00 0.00 N ATOM 697 CA TYR A 48 -11.882 0.572 -6.562 1.00 0.00 C ATOM 698 C TYR A 48 -10.958 1.464 -7.417 1.00 0.00 C ATOM 699 O TYR A 48 -10.241 2.341 -6.923 1.00 0.00 O ATOM 700 CB TYR A 48 -11.573 0.696 -5.072 1.00 0.00 C ATOM 701 CG TYR A 48 -12.188 -0.334 -4.139 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.478 -0.116 -3.623 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.376 -1.334 -3.570 1.00 0.00 C ATOM 704 CE1 TYR A 48 -13.913 -0.819 -2.486 1.00 0.00 C ATOM 705 CE2 TYR A 48 -11.832 -2.076 -2.466 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.091 -1.800 -1.909 1.00 0.00 C ATOM 707 OH TYR A 48 -13.451 -2.388 -0.737 1.00 0.00 O ATOM 0 H TYR A 48 -11.092 -1.365 -6.412 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.899 0.922 -6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.491 0.657 -4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.896 1.683 -4.743 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.136 0.594 -4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.398 -1.532 -3.984 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.880 -0.604 -2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.215 -2.857 -2.047 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.070 -1.802 -0.254 1.00 0.00 H new ATOM 717 N LYS A 49 -11.051 1.246 -8.726 1.00 0.00 N ATOM 718 CA LYS A 49 -10.173 1.744 -9.773 1.00 0.00 C ATOM 719 C LYS A 49 -9.973 3.239 -9.780 1.00 0.00 C ATOM 720 O LYS A 49 -8.841 3.717 -9.795 1.00 0.00 O ATOM 721 CB LYS A 49 -10.715 1.227 -11.107 1.00 0.00 C ATOM 722 CG LYS A 49 -12.137 1.660 -11.499 1.00 0.00 C ATOM 723 CD LYS A 49 -12.889 0.579 -12.293 1.00 0.00 C ATOM 724 CE LYS A 49 -12.199 0.109 -13.582 1.00 0.00 C ATOM 725 NZ LYS A 49 -11.102 -0.841 -13.318 1.00 0.00 N ATOM 0 H LYS A 49 -11.802 0.671 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.169 1.366 -9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.034 1.547 -11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.687 0.138 -11.084 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.700 1.901 -10.598 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.084 2.571 -12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -13.039 -0.285 -11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.877 0.961 -12.549 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.935 -0.362 -14.234 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.806 0.974 -14.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.029 -1.515 -14.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.207 -0.320 -13.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.296 -1.359 -12.437 1.00 0.00 H new ATOM 739 N ASP A 50 -11.071 3.974 -9.775 1.00 0.00 N ATOM 740 CA ASP A 50 -11.023 5.423 -9.834 1.00 0.00 C ATOM 741 C ASP A 50 -10.479 6.028 -8.537 1.00 0.00 C ATOM 742 O ASP A 50 -9.325 6.453 -8.452 1.00 0.00 O ATOM 743 CB ASP A 50 -12.428 5.957 -10.145 1.00 0.00 C ATOM 744 CG ASP A 50 -12.458 7.482 -10.114 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.795 8.079 -10.988 1.00 0.00 O ATOM 746 OD2 ASP A 50 -13.127 8.010 -9.202 1.00 0.00 O ATOM 0 H ASP A 50 -12.014 3.587 -9.730 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.336 5.719 -10.627 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.745 5.604 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.139 5.562 -9.419 1.00 0.00 H new ATOM 751 N LYS A 51 -11.297 5.976 -7.490 1.00 0.00 N ATOM 752 CA LYS A 51 -11.081 6.794 -6.298 1.00 0.00 C ATOM 753 C LYS A 51 -10.027 6.304 -5.327 1.00 0.00 C ATOM 754 O LYS A 51 -9.335 7.116 -4.725 1.00 0.00 O ATOM 755 CB LYS A 51 -12.370 6.910 -5.442 1.00 0.00 C ATOM 756 CG LYS A 51 -13.629 6.273 -6.046 1.00 0.00 C ATOM 757 CD LYS A 51 -14.830 6.463 -5.112 1.00 0.00 C ATOM 758 CE LYS A 51 -16.026 5.624 -5.577 1.00 0.00 C ATOM 759 NZ LYS A 51 -16.477 6.009 -6.926 1.00 0.00 N ATOM 0 H LYS A 51 -12.119 5.374 -7.442 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.752 7.736 -6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.182 6.450 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.570 7.966 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.841 6.722 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.459 5.210 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.554 6.178 -4.097 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.109 7.516 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.752 4.569 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.849 5.743 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.365 5.516 -7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.633 7.037 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.751 5.746 -7.623 1.00 0.00 H new ATOM 773 N LEU A 52 -9.964 4.995 -5.113 1.00 0.00 N ATOM 774 CA LEU A 52 -9.404 4.521 -3.857 1.00 0.00 C ATOM 775 C LEU A 52 -7.993 3.926 -3.956 1.00 0.00 C ATOM 776 O LEU A 52 -7.339 3.929 -4.995 1.00 0.00 O ATOM 777 CB LEU A 52 -10.502 3.617 -3.265 1.00 0.00 C ATOM 778 CG LEU A 52 -10.497 3.247 -1.783 1.00 0.00 C ATOM 779 CD1 LEU A 52 -10.202 4.442 -0.870 1.00 0.00 C ATOM 780 CD2 LEU A 52 -11.842 2.614 -1.409 1.00 0.00 C ATOM 0 H LEU A 52 -10.278 4.273 -5.761 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.179 5.338 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.458 4.098 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.486 2.684 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.689 2.532 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.212 4.116 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.222 4.852 -1.112 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.962 5.209 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.838 2.350 -0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.645 3.325 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.000 1.716 -2.007 1.00 0.00 H new ATOM 792 N LYS A 53 -7.589 3.353 -2.832 1.00 0.00 N ATOM 793 CA LYS A 53 -6.288 3.003 -2.349 1.00 0.00 C ATOM 794 C LYS A 53 -5.501 1.795 -2.845 1.00 0.00 C ATOM 795 O LYS A 53 -5.508 0.780 -2.171 1.00 0.00 O ATOM 796 CB LYS A 53 -6.575 2.789 -0.825 1.00 0.00 C ATOM 797 CG LYS A 53 -7.675 1.732 -0.553 1.00 0.00 C ATOM 798 CD LYS A 53 -7.281 0.502 0.274 1.00 0.00 C ATOM 799 CE LYS A 53 -8.464 -0.465 0.457 1.00 0.00 C ATOM 800 NZ LYS A 53 -8.950 -1.003 -0.823 1.00 0.00 N ATOM 0 H LYS A 53 -8.290 3.088 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.625 3.791 -2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.655 2.482 -0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.875 3.738 -0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.502 2.229 -0.045 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.054 1.385 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.459 -0.018 -0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.918 0.822 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.160 -1.289 1.103 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.279 0.053 0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.311 -1.968 -0.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.714 -0.398 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.169 -1.024 -1.509 1.00 0.00 H new ATOM 814 N CYS A 54 -4.649 1.925 -3.866 1.00 0.00 N ATOM 815 CA CYS A 54 -3.777 0.800 -4.210 1.00 0.00 C ATOM 816 C CYS A 54 -2.484 1.230 -4.900 1.00 0.00 C ATOM 817 O CYS A 54 -2.534 1.870 -5.946 1.00 0.00 O ATOM 818 CB CYS A 54 -4.533 -0.178 -5.103 1.00 0.00 C ATOM 819 SG CYS A 54 -3.396 -1.536 -5.430 1.00 0.00 S ATOM 0 H CYS A 54 -4.545 2.758 -4.445 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.491 0.323 -3.273 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.437 -0.536 -4.611 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.844 0.302 -6.031 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.055 -2.657 -5.457 1.00 0.00 H new ATOM 825 N VAL A 55 -1.335 0.875 -4.311 1.00 0.00 N ATOM 826 CA VAL A 55 -0.001 1.075 -4.870 1.00 0.00 C ATOM 827 C VAL A 55 0.962 0.080 -4.214 1.00 0.00 C ATOM 828 O VAL A 55 0.656 -0.501 -3.172 1.00 0.00 O ATOM 829 CB VAL A 55 0.509 2.522 -4.701 1.00 0.00 C ATOM 830 CG1 VAL A 55 0.602 3.207 -6.063 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.314 3.382 -3.743 1.00 0.00 C ATOM 0 H VAL A 55 -1.313 0.423 -3.397 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.054 0.899 -5.944 1.00 0.00 H new ATOM 0 HB VAL A 55 1.495 2.432 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.963 4.227 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.293 2.656 -6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.384 3.227 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.119 4.381 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.340 3.450 -4.105 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.309 2.929 -2.752 1.00 0.00 H new ATOM 841 N LYS A 56 2.132 -0.115 -4.827 1.00 0.00 N ATOM 842 CA LYS A 56 3.134 -1.084 -4.404 1.00 0.00 C ATOM 843 C LYS A 56 4.522 -0.426 -4.296 1.00 0.00 C ATOM 844 O LYS A 56 5.074 -0.006 -5.313 1.00 0.00 O ATOM 845 CB LYS A 56 3.136 -2.212 -5.451 1.00 0.00 C ATOM 846 CG LYS A 56 2.716 -3.586 -4.903 1.00 0.00 C ATOM 847 CD LYS A 56 1.195 -3.744 -4.759 1.00 0.00 C ATOM 848 CE LYS A 56 0.471 -3.951 -6.097 1.00 0.00 C ATOM 849 NZ LYS A 56 0.748 -5.274 -6.683 1.00 0.00 N ATOM 0 H LYS A 56 2.412 0.413 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 56 2.898 -1.479 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.464 -1.938 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.136 -2.294 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.094 -4.365 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.184 -3.740 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.986 -4.592 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.790 -2.858 -4.269 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.603 -3.840 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.778 -3.174 -6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.058 -5.472 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.708 -5.283 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.674 -6.003 -5.945 1.00 0.00 H new ATOM 863 N LEU A 57 5.104 -0.343 -3.093 1.00 0.00 N ATOM 864 CA LEU A 57 6.435 0.229 -2.884 1.00 0.00 C ATOM 865 C LEU A 57 7.461 -0.898 -2.943 1.00 0.00 C ATOM 866 O LEU A 57 7.529 -1.768 -2.070 1.00 0.00 O ATOM 867 CB LEU A 57 6.472 1.032 -1.572 1.00 0.00 C ATOM 868 CG LEU A 57 7.766 1.742 -1.151 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.847 0.778 -0.658 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.284 2.675 -2.247 1.00 0.00 C ATOM 0 H LEU A 57 4.661 -0.673 -2.235 1.00 0.00 H new ATOM 0 HA LEU A 57 6.684 0.941 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.690 1.789 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.197 0.352 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 57 7.507 2.362 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.736 1.342 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.477 0.227 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.099 0.077 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.201 3.158 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.488 2.098 -3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.532 3.434 -2.464 1.00 0.00 H new ATOM 882 N ASN A 58 8.263 -0.892 -4.014 1.00 0.00 N ATOM 883 CA ASN A 58 9.320 -1.874 -4.190 1.00 0.00 C ATOM 884 C ASN A 58 10.422 -1.599 -3.162 1.00 0.00 C ATOM 885 O ASN A 58 11.243 -0.693 -3.306 1.00 0.00 O ATOM 886 CB ASN A 58 9.853 -1.870 -5.623 1.00 0.00 C ATOM 887 CG ASN A 58 11.009 -2.864 -5.759 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.041 -2.716 -5.115 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.849 -3.909 -6.564 1.00 0.00 N ATOM 0 H ASN A 58 8.193 -0.212 -4.771 1.00 0.00 H new ATOM 0 HA ASN A 58 8.922 -2.875 -4.021 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.054 -2.133 -6.317 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.191 -0.869 -5.890 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.591 -4.603 -6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.984 -4.017 -7.093 1.00 0.00 H new ATOM 896 N THR A 59 10.441 -2.431 -2.130 1.00 0.00 N ATOM 897 CA THR A 59 11.322 -2.390 -0.980 1.00 0.00 C ATOM 898 C THR A 59 12.632 -3.103 -1.330 1.00 0.00 C ATOM 899 O THR A 59 13.057 -4.037 -0.656 1.00 0.00 O ATOM 900 CB THR A 59 10.558 -3.031 0.194 1.00 0.00 C ATOM 901 OG1 THR A 59 9.280 -2.421 0.306 1.00 0.00 O ATOM 902 CG2 THR A 59 11.275 -2.858 1.535 1.00 0.00 C ATOM 0 H THR A 59 9.788 -3.212 -2.075 1.00 0.00 H new ATOM 0 HA THR A 59 11.599 -1.376 -0.691 1.00 0.00 H new ATOM 0 HB THR A 59 10.486 -4.097 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.688 -2.771 -0.393 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.690 -3.330 2.324 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.259 -3.325 1.485 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.388 -1.796 1.753 1.00 0.00 H new ATOM 910 N ASP A 60 13.255 -2.665 -2.425 1.00 0.00 N ATOM 911 CA ASP A 60 14.537 -3.163 -2.914 1.00 0.00 C ATOM 912 C ASP A 60 15.195 -1.994 -3.652 1.00 0.00 C ATOM 913 O ASP A 60 16.330 -1.620 -3.369 1.00 0.00 O ATOM 914 CB ASP A 60 14.310 -4.407 -3.788 1.00 0.00 C ATOM 915 CG ASP A 60 15.555 -5.282 -3.891 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.528 -4.813 -4.518 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.495 -6.413 -3.353 1.00 0.00 O ATOM 0 H ASP A 60 12.866 -1.929 -3.014 1.00 0.00 H new ATOM 0 HA ASP A 60 15.202 -3.493 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.490 -4.994 -3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.005 -4.095 -4.787 1.00 0.00 H new ATOM 922 N GLU A 61 14.415 -1.358 -4.535 1.00 0.00 N ATOM 923 CA GLU A 61 14.767 -0.130 -5.235 1.00 0.00 C ATOM 924 C GLU A 61 14.481 1.103 -4.371 1.00 0.00 C ATOM 925 O GLU A 61 15.086 2.156 -4.560 1.00 0.00 O ATOM 926 CB GLU A 61 13.972 -0.017 -6.533 1.00 0.00 C ATOM 927 CG GLU A 61 12.502 0.348 -6.406 1.00 0.00 C ATOM 928 CD GLU A 61 11.765 0.172 -7.732 1.00 0.00 C ATOM 929 OE1 GLU A 61 11.568 -1.000 -8.121 1.00 0.00 O ATOM 930 OE2 GLU A 61 11.416 1.211 -8.331 1.00 0.00 O ATOM 0 H GLU A 61 13.488 -1.703 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 61 15.834 -0.170 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.454 0.730 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.041 -0.970 -7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 61 12.036 -0.276 -5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 61 12.410 1.381 -6.072 1.00 0.00 H new ATOM 937 N SER A 62 13.522 0.963 -3.449 1.00 0.00 N ATOM 938 CA SER A 62 13.070 1.970 -2.491 1.00 0.00 C ATOM 939 C SER A 62 13.318 1.620 -1.011 1.00 0.00 C ATOM 940 O SER A 62 12.414 1.724 -0.180 1.00 0.00 O ATOM 941 CB SER A 62 11.578 2.262 -2.714 1.00 0.00 C ATOM 942 OG SER A 62 11.172 1.942 -4.026 1.00 0.00 O ATOM 0 H SER A 62 13.010 0.086 -3.348 1.00 0.00 H new ATOM 0 HA SER A 62 13.679 2.853 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.985 1.690 -2.000 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.381 3.316 -2.519 1.00 0.00 H new ATOM 0 HG SER A 62 11.094 0.969 -4.116 1.00 0.00 H new ATOM 948 N PRO A 63 14.560 1.284 -0.650 1.00 0.00 N ATOM 949 CA PRO A 63 14.984 1.039 0.712 1.00 0.00 C ATOM 950 C PRO A 63 14.927 2.353 1.489 1.00 0.00 C ATOM 951 O PRO A 63 14.782 2.344 2.705 1.00 0.00 O ATOM 952 CB PRO A 63 16.417 0.516 0.610 1.00 0.00 C ATOM 953 CG PRO A 63 16.941 1.149 -0.679 1.00 0.00 C ATOM 954 CD PRO A 63 15.688 1.258 -1.544 1.00 0.00 C ATOM 0 HA PRO A 63 14.350 0.321 1.233 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.014 0.811 1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.444 -0.573 0.562 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.390 2.125 -0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.704 0.530 -1.151 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.718 2.161 -2.154 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.618 0.413 -2.229 1.00 0.00 H new ATOM 962 N ASN A 64 15.049 3.477 0.775 1.00 0.00 N ATOM 963 CA ASN A 64 14.981 4.827 1.325 1.00 0.00 C ATOM 964 C ASN A 64 13.750 4.965 2.215 1.00 0.00 C ATOM 965 O ASN A 64 13.841 5.043 3.440 1.00 0.00 O ATOM 966 CB ASN A 64 14.880 5.850 0.182 1.00 0.00 C ATOM 967 CG ASN A 64 16.209 6.172 -0.489 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.174 5.423 -0.387 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.254 7.287 -1.209 1.00 0.00 N ATOM 0 H ASN A 64 15.203 3.467 -0.233 1.00 0.00 H new ATOM 0 HA ASN A 64 15.882 5.011 1.910 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.189 5.470 -0.570 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.450 6.773 0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.111 7.543 -1.699 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.432 7.887 -1.272 1.00 0.00 H new ATOM 976 N VAL A 65 12.591 4.968 1.559 1.00 0.00 N ATOM 977 CA VAL A 65 11.284 5.090 2.172 1.00 0.00 C ATOM 978 C VAL A 65 11.165 4.059 3.287 1.00 0.00 C ATOM 979 O VAL A 65 10.791 4.371 4.415 1.00 0.00 O ATOM 980 CB VAL A 65 10.227 4.873 1.077 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.816 4.877 1.662 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.332 5.967 0.007 1.00 0.00 C ATOM 0 H VAL A 65 12.543 4.881 0.544 1.00 0.00 H new ATOM 0 HA VAL A 65 11.135 6.076 2.613 1.00 0.00 H new ATOM 0 HB VAL A 65 10.418 3.899 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.091 4.721 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.724 4.077 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.625 5.836 2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.577 5.799 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.171 6.942 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.323 5.939 -0.446 1.00 0.00 H new ATOM 992 N ALA A 66 11.510 2.819 2.950 1.00 0.00 N ATOM 993 CA ALA A 66 11.447 1.709 3.887 1.00 0.00 C ATOM 994 C ALA A 66 12.209 2.021 5.180 1.00 0.00 C ATOM 995 O ALA A 66 11.708 1.753 6.270 1.00 0.00 O ATOM 996 CB ALA A 66 11.982 0.447 3.214 1.00 0.00 C ATOM 0 H ALA A 66 11.840 2.559 2.021 1.00 0.00 H new ATOM 0 HA ALA A 66 10.407 1.545 4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.936 -0.387 3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.377 0.218 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 66 13.016 0.608 2.909 1.00 0.00 H new ATOM 1002 N SER A 67 13.406 2.600 5.067 1.00 0.00 N ATOM 1003 CA SER A 67 14.227 2.966 6.211 1.00 0.00 C ATOM 1004 C SER A 67 13.595 4.133 6.966 1.00 0.00 C ATOM 1005 O SER A 67 13.512 4.102 8.189 1.00 0.00 O ATOM 1006 CB SER A 67 15.644 3.325 5.750 1.00 0.00 C ATOM 1007 OG SER A 67 16.218 2.241 5.048 1.00 0.00 O ATOM 0 H SER A 67 13.832 2.828 4.169 1.00 0.00 H new ATOM 0 HA SER A 67 14.288 2.113 6.887 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.614 4.207 5.110 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.262 3.578 6.612 1.00 0.00 H new ATOM 0 HG SER A 67 15.789 2.156 4.171 1.00 0.00 H new ATOM 1013 N GLU A 68 13.152 5.157 6.232 1.00 0.00 N ATOM 1014 CA GLU A 68 12.519 6.340 6.808 1.00 0.00 C ATOM 1015 C GLU A 68 11.321 5.942 7.677 1.00 0.00 C ATOM 1016 O GLU A 68 11.167 6.445 8.786 1.00 0.00 O ATOM 1017 CB GLU A 68 12.074 7.290 5.688 1.00 0.00 C ATOM 1018 CG GLU A 68 13.267 7.931 4.968 1.00 0.00 C ATOM 1019 CD GLU A 68 12.823 8.621 3.682 1.00 0.00 C ATOM 1020 OE1 GLU A 68 12.145 9.664 3.804 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.157 8.086 2.602 1.00 0.00 O ATOM 0 H GLU A 68 13.224 5.186 5.215 1.00 0.00 H new ATOM 0 HA GLU A 68 13.244 6.852 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.468 6.741 4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.441 8.072 6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.747 8.655 5.626 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.010 7.168 4.737 1.00 0.00 H new ATOM 1028 N TYR A 69 10.472 5.047 7.168 1.00 0.00 N ATOM 1029 CA TYR A 69 9.293 4.586 7.892 1.00 0.00 C ATOM 1030 C TYR A 69 9.664 3.527 8.936 1.00 0.00 C ATOM 1031 O TYR A 69 9.007 3.435 9.970 1.00 0.00 O ATOM 1032 CB TYR A 69 8.258 4.064 6.890 1.00 0.00 C ATOM 1033 CG TYR A 69 7.401 5.185 6.331 1.00 0.00 C ATOM 1034 CD1 TYR A 69 6.302 5.655 7.077 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.879 5.949 5.252 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.708 6.891 6.763 1.00 0.00 C ATOM 1037 CE2 TYR A 69 7.300 7.192 4.952 1.00 0.00 C ATOM 1038 CZ TYR A 69 6.222 7.670 5.713 1.00 0.00 C ATOM 1039 OH TYR A 69 5.712 8.906 5.454 1.00 0.00 O ATOM 0 H TYR A 69 10.584 4.625 6.246 1.00 0.00 H new ATOM 0 HA TYR A 69 8.855 5.421 8.439 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.768 3.554 6.073 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.620 3.327 7.377 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.914 5.064 7.893 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.696 5.578 4.651 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.857 7.241 7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.685 7.782 4.133 1.00 0.00 H new ATOM 0 HH TYR A 69 6.187 9.303 4.694 1.00 0.00 H new ATOM 1049 N GLY A 70 10.697 2.726 8.675 1.00 0.00 N ATOM 1050 CA GLY A 70 11.187 1.719 9.605 1.00 0.00 C ATOM 1051 C GLY A 70 10.475 0.393 9.381 1.00 0.00 C ATOM 1052 O GLY A 70 9.933 -0.211 10.304 1.00 0.00 O ATOM 0 H GLY A 70 11.221 2.762 7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.261 1.588 9.475 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.029 2.055 10.630 1.00 0.00 H new ATOM 1056 N ILE A 71 10.481 -0.065 8.132 1.00 0.00 N ATOM 1057 CA ILE A 71 9.839 -1.306 7.736 1.00 0.00 C ATOM 1058 C ILE A 71 10.652 -2.483 8.285 1.00 0.00 C ATOM 1059 O ILE A 71 11.789 -2.709 7.877 1.00 0.00 O ATOM 1060 CB ILE A 71 9.716 -1.322 6.205 1.00 0.00 C ATOM 1061 CG1 ILE A 71 8.871 -0.133 5.712 1.00 0.00 C ATOM 1062 CG2 ILE A 71 9.106 -2.637 5.711 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.381 -0.186 6.065 1.00 0.00 C ATOM 0 H ILE A 71 10.938 0.423 7.362 1.00 0.00 H new ATOM 0 HA ILE A 71 8.834 -1.392 8.148 1.00 0.00 H new ATOM 0 HB ILE A 71 10.722 -1.234 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 71 9.291 0.784 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.967 -0.067 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.032 -2.618 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.740 -3.470 6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.112 -2.761 6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.882 0.699 5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.935 -1.080 5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.265 -0.215 7.148 1.00 0.00 H new ATOM 1075 N ARG A 72 10.050 -3.259 9.190 1.00 0.00 N ATOM 1076 CA ARG A 72 10.725 -4.362 9.863 1.00 0.00 C ATOM 1077 C ARG A 72 10.813 -5.591 8.954 1.00 0.00 C ATOM 1078 O ARG A 72 11.772 -6.354 9.032 1.00 0.00 O ATOM 1079 CB ARG A 72 9.959 -4.679 11.156 1.00 0.00 C ATOM 1080 CG ARG A 72 10.692 -5.708 12.029 1.00 0.00 C ATOM 1081 CD ARG A 72 9.931 -5.969 13.334 1.00 0.00 C ATOM 1082 NE ARG A 72 9.870 -4.764 14.172 1.00 0.00 N ATOM 1083 CZ ARG A 72 9.201 -4.675 15.330 1.00 0.00 C ATOM 1084 NH1 ARG A 72 8.532 -5.730 15.807 1.00 0.00 N ATOM 1085 NH2 ARG A 72 9.207 -3.523 16.008 1.00 0.00 N ATOM 0 H ARG A 72 9.078 -3.136 9.475 1.00 0.00 H new ATOM 0 HA ARG A 72 11.749 -4.076 10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.814 -3.760 11.725 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.968 -5.058 10.905 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.805 -6.642 11.478 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.695 -5.348 12.256 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.920 -6.306 13.106 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.418 -6.773 13.886 1.00 0.00 H new ATOM 0 HE ARG A 72 10.372 -3.937 13.850 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.529 -6.609 15.289 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.025 -5.656 16.689 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.718 -2.719 15.643 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.700 -3.448 16.890 1.00 0.00 H new ATOM 1099 N SER A 73 9.807 -5.806 8.105 1.00 0.00 N ATOM 1100 CA SER A 73 9.770 -6.885 7.133 1.00 0.00 C ATOM 1101 C SER A 73 8.692 -6.522 6.122 1.00 0.00 C ATOM 1102 O SER A 73 8.131 -5.430 6.189 1.00 0.00 O ATOM 1103 CB SER A 73 9.475 -8.233 7.802 1.00 0.00 C ATOM 1104 OG SER A 73 9.604 -9.287 6.865 1.00 0.00 O ATOM 0 H SER A 73 8.976 -5.215 8.079 1.00 0.00 H new ATOM 0 HA SER A 73 10.738 -6.998 6.645 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.161 -8.391 8.634 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.467 -8.228 8.217 1.00 0.00 H new ATOM 0 HG SER A 73 9.415 -10.142 7.306 1.00 0.00 H new ATOM 1110 N ILE A 74 8.389 -7.438 5.209 1.00 0.00 N ATOM 1111 CA ILE A 74 7.386 -7.240 4.182 1.00 0.00 C ATOM 1112 C ILE A 74 6.651 -8.570 3.989 1.00 0.00 C ATOM 1113 O ILE A 74 7.263 -9.619 4.188 1.00 0.00 O ATOM 1114 CB ILE A 74 8.029 -6.706 2.886 1.00 0.00 C ATOM 1115 CG1 ILE A 74 9.256 -7.506 2.430 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.402 -5.226 3.063 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.680 -7.025 1.039 1.00 0.00 C ATOM 0 H ILE A 74 8.843 -8.351 5.165 1.00 0.00 H new ATOM 0 HA ILE A 74 6.661 -6.482 4.479 1.00 0.00 H new ATOM 0 HB ILE A 74 7.282 -6.820 2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 74 10.074 -7.376 3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.023 -8.570 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.856 -4.853 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.504 -4.649 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 74 9.111 -5.125 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.552 -7.590 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.861 -7.178 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.929 -5.965 1.081 1.00 0.00 H new ATOM 1129 N PRO A 75 5.360 -8.562 3.621 1.00 0.00 N ATOM 1130 CA PRO A 75 4.560 -7.385 3.333 1.00 0.00 C ATOM 1131 C PRO A 75 4.179 -6.593 4.582 1.00 0.00 C ATOM 1132 O PRO A 75 3.860 -7.148 5.634 1.00 0.00 O ATOM 1133 CB PRO A 75 3.301 -7.876 2.621 1.00 0.00 C ATOM 1134 CG PRO A 75 3.171 -9.319 3.103 1.00 0.00 C ATOM 1135 CD PRO A 75 4.607 -9.770 3.358 1.00 0.00 C ATOM 0 HA PRO A 75 5.144 -6.700 2.719 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.428 -7.281 2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.403 -7.821 1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.569 -9.382 4.009 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.686 -9.945 2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.657 -10.454 4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.009 -10.301 2.495 1.00 0.00 H new ATOM 1143 N THR A 76 4.258 -5.277 4.409 1.00 0.00 N ATOM 1144 CA THR A 76 3.832 -4.250 5.335 1.00 0.00 C ATOM 1145 C THR A 76 2.989 -3.349 4.444 1.00 0.00 C ATOM 1146 O THR A 76 3.470 -2.853 3.426 1.00 0.00 O ATOM 1147 CB THR A 76 5.021 -3.536 5.992 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.694 -4.430 6.855 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.541 -2.355 6.841 1.00 0.00 C ATOM 0 H THR A 76 4.650 -4.879 3.555 1.00 0.00 H new ATOM 0 HA THR A 76 3.276 -4.625 6.195 1.00 0.00 H new ATOM 0 HB THR A 76 5.680 -3.184 5.198 1.00 0.00 H new ATOM 0 HG1 THR A 76 6.496 -4.773 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.399 -1.863 7.298 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.009 -1.644 6.208 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.872 -2.716 7.622 1.00 0.00 H new ATOM 1157 N ILE A 77 1.713 -3.218 4.781 1.00 0.00 N ATOM 1158 CA ILE A 77 0.708 -2.540 3.992 1.00 0.00 C ATOM 1159 C ILE A 77 0.279 -1.286 4.741 1.00 0.00 C ATOM 1160 O ILE A 77 -0.506 -1.387 5.679 1.00 0.00 O ATOM 1161 CB ILE A 77 -0.435 -3.549 3.774 1.00 0.00 C ATOM 1162 CG1 ILE A 77 0.017 -4.626 2.769 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -1.683 -2.838 3.254 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -0.812 -5.909 2.880 1.00 0.00 C ATOM 0 H ILE A 77 1.340 -3.600 5.650 1.00 0.00 H new ATOM 0 HA ILE A 77 1.067 -2.213 3.016 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.679 -4.021 4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.063 -4.231 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.068 -4.859 2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.481 -3.566 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.004 -2.090 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.456 -2.350 2.306 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.455 -6.637 2.151 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.712 -6.321 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.860 -5.683 2.684 1.00 0.00 H new ATOM 1176 N MET A 78 0.795 -0.114 4.356 1.00 0.00 N ATOM 1177 CA MET A 78 0.457 1.141 5.022 1.00 0.00 C ATOM 1178 C MET A 78 -0.689 1.831 4.297 1.00 0.00 C ATOM 1179 O MET A 78 -0.697 1.883 3.068 1.00 0.00 O ATOM 1180 CB MET A 78 1.659 2.084 5.050 1.00 0.00 C ATOM 1181 CG MET A 78 2.790 1.545 5.923 1.00 0.00 C ATOM 1182 SD MET A 78 4.122 2.715 6.290 1.00 0.00 S ATOM 1183 CE MET A 78 4.779 1.919 7.773 1.00 0.00 C ATOM 0 H MET A 78 1.451 -0.012 3.582 1.00 0.00 H new ATOM 0 HA MET A 78 0.161 0.905 6.044 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.025 2.234 4.034 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.346 3.059 5.424 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.364 1.200 6.865 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.222 0.674 5.430 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.596 2.517 8.175 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.990 1.834 8.520 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.148 0.925 7.519 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.634 2.388 5.057 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.737 3.155 4.494 1.00 0.00 C ATOM 1195 C VAL A 79 -2.406 4.622 4.681 1.00 0.00 C ATOM 1196 O VAL A 79 -2.520 5.138 5.791 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.077 2.836 5.170 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.163 3.809 4.671 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.494 1.390 4.881 1.00 0.00 C ATOM 0 H VAL A 79 -1.653 2.318 6.074 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.850 2.896 3.441 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.960 2.954 6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.111 3.576 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.874 4.832 4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.273 3.709 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.446 1.182 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.598 1.250 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.734 0.709 5.264 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.002 5.292 3.610 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.791 6.722 3.632 1.00 0.00 C ATOM 1211 C PHE A 80 -3.141 7.394 3.427 1.00 0.00 C ATOM 1212 O PHE A 80 -4.026 6.850 2.771 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.735 7.109 2.599 1.00 0.00 C ATOM 1214 CG PHE A 80 0.657 6.757 3.089 1.00 0.00 C ATOM 1215 CD1 PHE A 80 1.151 5.445 2.957 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.427 7.728 3.756 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.414 5.117 3.479 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.660 7.379 4.332 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.138 6.063 4.223 1.00 0.00 C ATOM 0 H PHE A 80 -1.814 4.856 2.707 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.396 7.063 4.589 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.935 6.595 1.659 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.794 8.178 2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.561 4.692 2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.069 8.745 3.825 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.829 4.135 3.308 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.240 8.123 4.858 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.059 5.779 4.710 1.00 0.00 H new ATOM 1229 N LYS A 81 -3.307 8.561 4.041 1.00 0.00 N ATOM 1230 CA LYS A 81 -4.530 9.364 3.975 1.00 0.00 C ATOM 1231 C LYS A 81 -4.168 10.834 3.769 1.00 0.00 C ATOM 1232 O LYS A 81 -4.942 11.734 4.084 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.376 9.128 5.241 1.00 0.00 C ATOM 1234 CG LYS A 81 -4.887 9.840 6.513 1.00 0.00 C ATOM 1235 CD LYS A 81 -3.380 9.679 6.727 1.00 0.00 C ATOM 1236 CE LYS A 81 -2.922 10.259 8.067 1.00 0.00 C ATOM 1237 NZ LYS A 81 -2.967 11.732 8.041 1.00 0.00 N ATOM 0 H LYS A 81 -2.579 8.988 4.613 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.139 9.061 3.123 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.398 9.448 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.411 8.056 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.131 10.900 6.450 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.419 9.441 7.377 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.119 8.622 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.845 10.174 5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.560 9.885 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.908 9.925 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.438 12.110 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.539 12.077 7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -3.956 12.050 8.093 1.00 0.00 H new ATOM 1251 N GLY A 82 -2.962 11.057 3.254 1.00 0.00 N ATOM 1252 CA GLY A 82 -2.398 12.363 3.035 1.00 0.00 C ATOM 1253 C GLY A 82 -1.390 12.693 4.130 1.00 0.00 C ATOM 1254 O GLY A 82 -1.671 12.556 5.322 1.00 0.00 O ATOM 0 H GLY A 82 -2.339 10.301 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.911 12.398 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.190 13.112 3.023 1.00 0.00 H new ATOM 1258 N GLY A 83 -0.182 13.074 3.712 1.00 0.00 N ATOM 1259 CA GLY A 83 0.926 13.471 4.563 1.00 0.00 C ATOM 1260 C GLY A 83 1.594 12.313 5.297 1.00 0.00 C ATOM 1261 O GLY A 83 2.814 12.180 5.249 1.00 0.00 O ATOM 0 H GLY A 83 0.055 13.114 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.673 13.980 3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.566 14.193 5.296 1.00 0.00 H new ATOM 1265 N LYS A 84 0.811 11.494 5.997 1.00 0.00 N ATOM 1266 CA LYS A 84 1.297 10.373 6.787 1.00 0.00 C ATOM 1267 C LYS A 84 0.388 9.152 6.609 1.00 0.00 C ATOM 1268 O LYS A 84 -0.594 9.184 5.860 1.00 0.00 O ATOM 1269 CB LYS A 84 1.368 10.794 8.266 1.00 0.00 C ATOM 1270 CG LYS A 84 2.277 12.015 8.476 1.00 0.00 C ATOM 1271 CD LYS A 84 2.584 12.265 9.959 1.00 0.00 C ATOM 1272 CE LYS A 84 1.322 12.593 10.767 1.00 0.00 C ATOM 1273 NZ LYS A 84 1.656 12.964 12.153 1.00 0.00 N ATOM 0 H LYS A 84 -0.203 11.597 6.029 1.00 0.00 H new ATOM 0 HA LYS A 84 2.294 10.093 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.365 11.023 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.738 9.960 8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.211 11.867 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.799 12.898 8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.065 11.383 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.293 13.088 10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.784 13.411 10.289 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.655 11.731 10.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.783 13.180 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.148 12.173 12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.273 13.801 12.149 1.00 0.00 H new ATOM 1287 N LYS A 85 0.753 8.069 7.300 1.00 0.00 N ATOM 1288 CA LYS A 85 0.012 6.821 7.336 1.00 0.00 C ATOM 1289 C LYS A 85 -0.996 6.849 8.486 1.00 0.00 C ATOM 1290 O LYS A 85 -0.780 7.532 9.486 1.00 0.00 O ATOM 1291 CB LYS A 85 0.979 5.638 7.465 1.00 0.00 C ATOM 1292 CG LYS A 85 1.898 5.737 8.694 1.00 0.00 C ATOM 1293 CD LYS A 85 1.916 4.450 9.526 1.00 0.00 C ATOM 1294 CE LYS A 85 0.577 4.138 10.216 1.00 0.00 C ATOM 1295 NZ LYS A 85 0.125 5.214 11.117 1.00 0.00 N ATOM 0 H LYS A 85 1.601 8.043 7.866 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.541 6.699 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.405 4.713 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.592 5.578 6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.912 5.967 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.570 6.566 9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.184 3.614 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.695 4.529 10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.185 3.965 9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.675 3.213 10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.805 4.968 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.810 5.330 11.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.051 6.104 10.585 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.087 6.098 8.339 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.141 5.939 9.330 1.00 0.00 C ATOM 1311 C CYS A 86 -3.074 4.510 9.860 1.00 0.00 C ATOM 1312 O CYS A 86 -2.656 4.285 10.993 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.501 6.240 8.693 1.00 0.00 C ATOM 1314 SG CYS A 86 -5.784 6.074 9.957 1.00 0.00 S ATOM 0 H CYS A 86 -2.264 5.563 7.489 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.009 6.636 10.158 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.509 7.248 8.277 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.692 5.553 7.868 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.780 4.860 10.423 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.460 3.544 9.021 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.414 2.123 9.347 1.00 0.00 C ATOM 1322 C GLU A 87 -2.128 1.507 8.789 1.00 0.00 C ATOM 1323 O GLU A 87 -1.482 2.077 7.906 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.620 1.385 8.751 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.963 1.985 9.170 1.00 0.00 C ATOM 1326 CD GLU A 87 -6.133 1.967 10.686 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -6.454 0.878 11.212 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -5.952 3.043 11.293 1.00 0.00 O ATOM 0 H GLU A 87 -3.817 3.734 8.085 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.439 2.022 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.546 1.401 7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.585 0.340 9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.034 3.010 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.774 1.425 8.705 1.00 0.00 H new ATOM 1335 N THR A 88 -1.760 0.325 9.287 1.00 0.00 N ATOM 1336 CA THR A 88 -0.621 -0.448 8.812 1.00 0.00 C ATOM 1337 C THR A 88 -0.893 -1.922 9.099 1.00 0.00 C ATOM 1338 O THR A 88 -0.917 -2.314 10.264 1.00 0.00 O ATOM 1339 CB THR A 88 0.682 0.024 9.474 1.00 0.00 C ATOM 1340 OG1 THR A 88 0.953 1.357 9.096 1.00 0.00 O ATOM 1341 CG2 THR A 88 1.876 -0.832 9.036 1.00 0.00 C ATOM 0 H THR A 88 -2.261 -0.129 10.051 1.00 0.00 H new ATOM 0 HA THR A 88 -0.494 -0.303 7.739 1.00 0.00 H new ATOM 0 HB THR A 88 0.548 -0.062 10.552 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.225 1.692 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.781 -0.470 9.523 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.702 -1.870 9.318 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.995 -0.765 7.955 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.160 -2.713 8.059 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.365 -4.151 8.169 1.00 0.00 C ATOM 1351 C ILE A 89 -0.009 -4.793 7.865 1.00 0.00 C ATOM 1352 O ILE A 89 0.858 -4.146 7.277 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.466 -4.643 7.203 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.555 -3.595 6.918 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -3.138 -5.910 7.752 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.351 -3.137 8.145 1.00 0.00 C ATOM 0 H ILE A 89 -1.240 -2.364 7.104 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.713 -4.427 9.165 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.955 -4.849 6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.088 -2.723 6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.250 -4.005 6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.911 -6.242 7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.392 -6.696 7.868 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.589 -5.692 8.720 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.094 -2.399 7.842 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.853 -3.994 8.594 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.673 -2.692 8.873 1.00 0.00 H new ATOM 1368 N ILE A 90 0.197 -6.046 8.268 1.00 0.00 N ATOM 1369 CA ILE A 90 1.460 -6.754 8.078 1.00 0.00 C ATOM 1370 C ILE A 90 1.133 -8.213 7.763 1.00 0.00 C ATOM 1371 O ILE A 90 0.135 -8.734 8.261 1.00 0.00 O ATOM 1372 CB ILE A 90 2.343 -6.628 9.345 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.571 -5.147 9.715 1.00 0.00 C ATOM 1374 CG2 ILE A 90 3.703 -7.314 9.127 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.488 -4.936 10.924 1.00 0.00 C ATOM 0 H ILE A 90 -0.516 -6.603 8.740 1.00 0.00 H new ATOM 0 HA ILE A 90 2.026 -6.322 7.253 1.00 0.00 H new ATOM 0 HB ILE A 90 1.818 -7.120 10.164 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.998 -4.631 8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.606 -4.682 9.919 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.309 -7.215 10.028 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.547 -8.371 8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.218 -6.843 8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.596 -3.869 11.117 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.054 -5.421 11.799 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.467 -5.368 10.718 1.00 0.00 H new ATOM 1387 N GLY A 91 1.964 -8.860 6.942 1.00 0.00 N ATOM 1388 CA GLY A 91 1.809 -10.265 6.598 1.00 0.00 C ATOM 1389 C GLY A 91 0.835 -10.475 5.440 1.00 0.00 C ATOM 1390 O GLY A 91 0.163 -9.548 4.989 1.00 0.00 O ATOM 0 H GLY A 91 2.767 -8.416 6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.781 -10.681 6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.455 -10.814 7.471 1.00 0.00 H new ATOM 1394 N ALA A 92 0.803 -11.704 4.918 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.049 -12.066 3.795 1.00 0.00 C ATOM 1396 C ALA A 92 -1.533 -12.031 4.192 1.00 0.00 C ATOM 1397 O ALA A 92 -2.121 -13.067 4.493 1.00 0.00 O ATOM 1398 CB ALA A 92 0.359 -13.458 3.297 1.00 0.00 C ATOM 0 H ALA A 92 1.372 -12.475 5.268 1.00 0.00 H new ATOM 0 HA ALA A 92 0.081 -11.341 2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.272 -13.742 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.402 -13.440 2.980 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.238 -14.183 4.102 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.148 -10.846 4.171 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.550 -10.693 4.556 1.00 0.00 C ATOM 1406 C VAL A 93 -4.481 -11.142 3.415 1.00 0.00 C ATOM 1407 O VAL A 93 -4.126 -10.979 2.247 1.00 0.00 O ATOM 1408 CB VAL A 93 -3.934 -9.220 4.834 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -4.682 -9.029 6.148 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -2.806 -8.186 4.726 1.00 0.00 C ATOM 0 H VAL A 93 -1.694 -9.977 3.890 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.666 -11.299 5.455 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.605 -9.012 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.921 -7.974 6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.604 -9.610 6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.057 -9.366 6.975 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.200 -7.193 4.943 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.020 -8.429 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.395 -8.200 3.717 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.700 -11.624 3.718 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.725 -11.881 2.727 1.00 0.00 C ATOM 1422 C PRO A 94 -7.414 -10.541 2.446 1.00 0.00 C ATOM 1423 O PRO A 94 -7.527 -9.697 3.340 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.703 -12.884 3.357 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.067 -13.245 4.705 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.232 -12.005 5.007 1.00 0.00 C ATOM 0 HA PRO A 94 -6.337 -12.289 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.692 -12.445 3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -7.828 -13.765 2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.818 -13.428 5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.453 -14.143 4.639 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.839 -11.210 5.440 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.436 -12.222 5.720 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.909 -10.341 1.224 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.527 -9.080 0.858 1.00 0.00 C ATOM 1436 C LYS A 95 -9.657 -8.693 1.805 1.00 0.00 C ATOM 1437 O LYS A 95 -9.746 -7.540 2.201 1.00 0.00 O ATOM 1438 CB LYS A 95 -9.054 -9.125 -0.587 1.00 0.00 C ATOM 1439 CG LYS A 95 -10.080 -10.233 -0.886 1.00 0.00 C ATOM 1440 CD LYS A 95 -10.594 -10.197 -2.332 1.00 0.00 C ATOM 1441 CE LYS A 95 -11.265 -8.866 -2.699 1.00 0.00 C ATOM 1442 NZ LYS A 95 -11.995 -8.973 -3.974 1.00 0.00 N ATOM 0 H LYS A 95 -7.891 -11.037 0.478 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.750 -8.319 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.508 -8.162 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.206 -9.248 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.625 -11.204 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.924 -10.134 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.761 -10.377 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.306 -11.009 -2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.953 -8.571 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.510 -8.083 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.235 -8.021 -4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.398 -9.454 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.868 -9.519 -3.829 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.501 -9.653 2.188 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.629 -9.436 3.089 1.00 0.00 C ATOM 1458 C ALA A 96 -11.230 -8.551 4.276 1.00 0.00 C ATOM 1459 O ALA A 96 -11.877 -7.542 4.551 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.151 -10.790 3.576 1.00 0.00 C ATOM 0 H ALA A 96 -10.416 -10.620 1.874 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.418 -8.916 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.994 -10.634 4.249 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.475 -11.384 2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.357 -11.317 4.105 1.00 0.00 H new ATOM 1466 N THR A 97 -10.146 -8.917 4.961 1.00 0.00 N ATOM 1467 CA THR A 97 -9.641 -8.177 6.102 1.00 0.00 C ATOM 1468 C THR A 97 -9.244 -6.758 5.687 1.00 0.00 C ATOM 1469 O THR A 97 -9.656 -5.794 6.331 1.00 0.00 O ATOM 1470 CB THR A 97 -8.451 -8.949 6.681 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.808 -10.313 6.798 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.040 -8.417 8.056 1.00 0.00 C ATOM 0 H THR A 97 -9.594 -9.744 4.732 1.00 0.00 H new ATOM 0 HA THR A 97 -10.413 -8.079 6.865 1.00 0.00 H new ATOM 0 HB THR A 97 -7.603 -8.823 6.008 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.120 -10.788 7.309 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.193 -8.992 8.430 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.757 -7.368 7.970 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.877 -8.512 8.748 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.448 -6.628 4.620 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.985 -5.340 4.109 1.00 0.00 C ATOM 1482 C ILE A 98 -9.198 -4.437 3.858 1.00 0.00 C ATOM 1483 O ILE A 98 -9.291 -3.336 4.404 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.137 -5.563 2.833 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.830 -6.283 3.207 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.830 -4.221 2.150 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.981 -6.662 1.987 1.00 0.00 C ATOM 0 H ILE A 98 -8.105 -7.425 4.083 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.345 -4.842 4.837 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.701 -6.180 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.244 -5.641 3.865 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -6.068 -7.185 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.233 -4.396 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.764 -3.732 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.275 -3.582 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.073 -7.166 2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.551 -7.329 1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.715 -5.761 1.435 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.126 -4.929 3.036 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.367 -4.275 2.672 1.00 0.00 C ATOM 1501 C VAL A 99 -12.069 -3.808 3.941 1.00 0.00 C ATOM 1502 O VAL A 99 -12.202 -2.608 4.147 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.230 -5.245 1.840 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.682 -4.765 1.705 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.629 -5.408 0.438 1.00 0.00 C ATOM 0 H VAL A 99 -10.020 -5.839 2.588 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.181 -3.397 2.054 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.236 -6.199 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.248 -5.482 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.130 -4.679 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.699 -3.792 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.244 -6.095 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -11.598 -4.439 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.618 -5.807 0.520 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.482 -4.734 4.811 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.201 -4.385 6.029 1.00 0.00 C ATOM 1517 C GLN A 100 -12.466 -3.312 6.836 1.00 0.00 C ATOM 1518 O GLN A 100 -13.078 -2.329 7.261 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.408 -5.650 6.875 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.478 -6.579 6.278 1.00 0.00 C ATOM 1521 CD GLN A 100 -15.869 -5.952 6.184 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -16.636 -6.274 5.285 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -16.216 -5.047 7.096 1.00 0.00 N ATOM 0 H GLN A 100 -12.327 -5.735 4.689 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.168 -3.967 5.750 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.464 -6.190 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.699 -5.365 7.886 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.162 -6.886 5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.539 -7.482 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.562 -4.793 7.837 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -17.136 -4.608 7.054 1.00 0.00 H new ATOM 1532 N THR A 101 -11.158 -3.496 7.031 1.00 0.00 N ATOM 1533 CA THR A 101 -10.351 -2.571 7.809 1.00 0.00 C ATOM 1534 C THR A 101 -10.425 -1.169 7.205 1.00 0.00 C ATOM 1535 O THR A 101 -10.604 -0.209 7.944 1.00 0.00 O ATOM 1536 CB THR A 101 -8.904 -3.079 7.931 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.909 -4.360 8.524 1.00 0.00 O ATOM 1538 CG2 THR A 101 -8.073 -2.157 8.829 1.00 0.00 C ATOM 0 H THR A 101 -10.637 -4.288 6.654 1.00 0.00 H new ATOM 0 HA THR A 101 -10.752 -2.512 8.821 1.00 0.00 H new ATOM 0 HB THR A 101 -8.471 -3.105 6.931 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.041 -5.041 7.831 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.054 -2.538 8.899 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.056 -1.153 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.516 -2.122 9.824 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.300 -1.020 5.884 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.353 0.310 5.286 1.00 0.00 C ATOM 1548 C VAL A 102 -11.777 0.856 5.257 1.00 0.00 C ATOM 1549 O VAL A 102 -11.984 2.021 5.581 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.750 0.294 3.883 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.906 1.667 3.209 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.262 -0.040 3.971 1.00 0.00 C ATOM 0 H VAL A 102 -10.165 -1.786 5.224 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.759 0.977 5.910 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.274 -0.458 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.470 1.634 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.964 1.918 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -9.395 2.424 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.832 -0.051 2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.755 0.713 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.136 -1.020 4.431 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.751 0.036 4.859 1.00 0.00 N ATOM 1563 CA GLU A 103 -14.151 0.421 4.745 1.00 0.00 C ATOM 1564 C GLU A 103 -14.604 1.135 6.018 1.00 0.00 C ATOM 1565 O GLU A 103 -15.223 2.192 5.949 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.995 -0.820 4.440 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.755 -1.340 3.009 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.442 -0.537 1.905 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -16.218 0.384 2.236 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.179 -0.884 0.730 1.00 0.00 O ATOM 0 H GLU A 103 -12.580 -0.936 4.602 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.282 1.123 3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.757 -1.606 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.051 -0.581 4.567 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -13.682 -1.348 2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.097 -2.373 2.952 1.00 0.00 H new ATOM 1577 N LYS A 104 -14.229 0.590 7.178 1.00 0.00 N ATOM 1578 CA LYS A 104 -14.468 1.198 8.484 1.00 0.00 C ATOM 1579 C LYS A 104 -14.146 2.704 8.479 1.00 0.00 C ATOM 1580 O LYS A 104 -14.885 3.502 9.050 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.567 0.478 9.493 1.00 0.00 C ATOM 1582 CG LYS A 104 -13.634 1.027 10.923 1.00 0.00 C ATOM 1583 CD LYS A 104 -12.427 0.482 11.688 1.00 0.00 C ATOM 1584 CE LYS A 104 -12.392 1.017 13.123 1.00 0.00 C ATOM 1585 NZ LYS A 104 -11.172 0.580 13.825 1.00 0.00 N ATOM 0 H LYS A 104 -13.741 -0.304 7.234 1.00 0.00 H new ATOM 0 HA LYS A 104 -15.521 1.097 8.746 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.838 -0.578 9.511 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.536 0.537 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.621 2.117 10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -14.562 0.723 11.406 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.465 -0.607 11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.509 0.761 11.171 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.436 2.106 13.109 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.271 0.669 13.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.175 0.957 14.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.144 -0.459 13.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.335 0.933 13.319 1.00 0.00 H new ATOM 1599 N TYR A 105 -13.016 3.075 7.871 1.00 0.00 N ATOM 1600 CA TYR A 105 -12.509 4.437 7.791 1.00 0.00 C ATOM 1601 C TYR A 105 -12.928 5.150 6.503 1.00 0.00 C ATOM 1602 O TYR A 105 -12.634 6.335 6.357 1.00 0.00 O ATOM 1603 CB TYR A 105 -10.972 4.383 7.807 1.00 0.00 C ATOM 1604 CG TYR A 105 -10.363 3.662 8.994 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -10.511 4.199 10.284 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -9.646 2.465 8.818 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -9.998 3.516 11.400 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -9.191 1.752 9.938 1.00 0.00 C ATOM 1609 CZ TYR A 105 -9.335 2.292 11.226 1.00 0.00 C ATOM 1610 OH TYR A 105 -8.848 1.622 12.308 1.00 0.00 O ATOM 0 H TYR A 105 -12.408 2.402 7.403 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.920 4.988 8.637 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.632 3.896 6.893 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.588 5.403 7.786 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -11.021 5.141 10.419 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.446 2.095 7.823 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.114 3.933 12.390 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.729 0.785 9.809 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.040 1.131 12.052 1.00 0.00 H new