USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 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 8 CYS SG : rot -67:sc= 0.00632 USER MOD Set 1.2: A 9 SER OG : rot 180:sc= 0.00608 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0125 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0463 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 150:sc= -1.3 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -174:sc= 0.834 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -3:sc= 0.172 USER MOD Single : A 28 THR OG1 : rot 138:sc= 0.78 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 33 THR OG1 : rot 170:sc=-0.000444 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.183 K(o=-0.18,f=0.92) USER MOD Single : A 39 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -130:sc= 0.0635 (180deg=-0.043) USER MOD Single : A 53 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.7!) USER MOD Single : A 56 HIS : no HD1:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc=-0.00322 (180deg=-0.195) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 69 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.513 -12.684 -1.640 1.00 0.00 N ATOM 2 CA GLY A 1 19.489 -11.772 -2.246 1.00 0.00 C ATOM 3 C GLY A 1 19.559 -10.480 -1.456 1.00 0.00 C ATOM 4 O GLY A 1 19.671 -10.544 -0.231 1.00 0.00 O ATOM 0 H1 GLY A 1 18.897 -13.650 -1.635 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.318 -12.384 -0.663 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.631 -12.665 -2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.471 -12.244 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.209 -11.561 -3.278 1.00 0.00 H new ATOM 8 N PRO A 2 19.522 -9.309 -2.113 1.00 0.00 N ATOM 9 CA PRO A 2 19.585 -8.021 -1.438 1.00 0.00 C ATOM 10 C PRO A 2 18.302 -7.739 -0.652 1.00 0.00 C ATOM 11 O PRO A 2 17.336 -8.507 -0.719 1.00 0.00 O ATOM 12 CB PRO A 2 19.809 -6.995 -2.555 1.00 0.00 C ATOM 13 CG PRO A 2 19.097 -7.629 -3.746 1.00 0.00 C ATOM 14 CD PRO A 2 19.387 -9.116 -3.548 1.00 0.00 C ATOM 0 HA PRO A 2 20.385 -7.987 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.386 -6.023 -2.302 1.00 0.00 H new ATOM 0 HB3 PRO A 2 20.869 -6.839 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.027 -7.419 -3.739 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.487 -7.262 -4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.580 -9.728 -3.950 1.00 0.00 H new ATOM 0 HD3 PRO A 2 20.299 -9.409 -4.069 1.00 0.00 H new ATOM 22 N LEU A 3 18.299 -6.639 0.103 1.00 0.00 N ATOM 23 CA LEU A 3 17.152 -6.206 0.890 1.00 0.00 C ATOM 24 C LEU A 3 16.422 -5.187 0.013 1.00 0.00 C ATOM 25 O LEU A 3 15.633 -5.578 -0.850 1.00 0.00 O ATOM 26 CB LEU A 3 17.547 -5.639 2.272 1.00 0.00 C ATOM 27 CG LEU A 3 18.087 -6.684 3.268 1.00 0.00 C ATOM 28 CD1 LEU A 3 19.598 -6.882 3.106 1.00 0.00 C ATOM 29 CD2 LEU A 3 17.799 -6.242 4.706 1.00 0.00 C ATOM 0 H LEU A 3 19.105 -6.019 0.183 1.00 0.00 H new ATOM 0 HA LEU A 3 16.505 -7.047 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 3 18.304 -4.868 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 3 16.676 -5.154 2.713 1.00 0.00 H new ATOM 0 HG LEU A 3 17.583 -7.627 3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 3 19.947 -7.625 3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 3 19.814 -7.225 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 3 20.110 -5.937 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 3 18.185 -6.988 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 3 18.284 -5.284 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 3 16.723 -6.138 4.846 1.00 0.00 H new ATOM 41 N GLY A 4 16.768 -3.910 0.156 1.00 0.00 N ATOM 42 CA GLY A 4 16.231 -2.753 -0.539 1.00 0.00 C ATOM 43 C GLY A 4 16.380 -1.535 0.375 1.00 0.00 C ATOM 44 O GLY A 4 16.610 -1.678 1.580 1.00 0.00 O ATOM 0 H GLY A 4 17.494 -3.640 0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.763 -2.592 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.183 -2.913 -0.791 1.00 0.00 H new ATOM 48 N SER A 5 16.318 -0.335 -0.190 1.00 0.00 N ATOM 49 CA SER A 5 16.421 0.929 0.532 1.00 0.00 C ATOM 50 C SER A 5 15.021 1.338 1.001 1.00 0.00 C ATOM 51 O SER A 5 14.082 0.537 0.950 1.00 0.00 O ATOM 52 CB SER A 5 17.090 1.972 -0.371 1.00 0.00 C ATOM 53 OG SER A 5 18.415 1.559 -0.681 1.00 0.00 O ATOM 0 H SER A 5 16.191 -0.210 -1.194 1.00 0.00 H new ATOM 0 HA SER A 5 17.047 0.836 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.514 2.096 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.108 2.941 0.128 1.00 0.00 H new ATOM 0 HG SER A 5 18.839 2.227 -1.260 1.00 0.00 H new ATOM 59 N THR A 6 14.882 2.544 1.542 1.00 0.00 N ATOM 60 CA THR A 6 13.608 3.050 2.018 1.00 0.00 C ATOM 61 C THR A 6 12.637 3.169 0.833 1.00 0.00 C ATOM 62 O THR A 6 13.055 3.336 -0.319 1.00 0.00 O ATOM 63 CB THR A 6 13.853 4.422 2.681 1.00 0.00 C ATOM 64 OG1 THR A 6 15.087 4.436 3.379 1.00 0.00 O ATOM 65 CG2 THR A 6 12.755 4.832 3.664 1.00 0.00 C ATOM 0 H THR A 6 15.656 3.198 1.661 1.00 0.00 H new ATOM 0 HA THR A 6 13.165 2.375 2.750 1.00 0.00 H new ATOM 0 HB THR A 6 13.860 5.136 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 6 15.221 5.316 3.789 1.00 0.00 H new ATOM 0 HG21 THR A 6 12.994 5.806 4.091 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.801 4.890 3.140 1.00 0.00 H new ATOM 0 HG23 THR A 6 12.687 4.093 4.462 1.00 0.00 H new ATOM 73 N ASP A 7 11.337 3.135 1.117 1.00 0.00 N ATOM 74 CA ASP A 7 10.226 3.265 0.175 1.00 0.00 C ATOM 75 C ASP A 7 10.357 2.351 -1.048 1.00 0.00 C ATOM 76 O ASP A 7 9.918 2.719 -2.136 1.00 0.00 O ATOM 77 CB ASP A 7 10.026 4.748 -0.203 1.00 0.00 C ATOM 78 CG ASP A 7 10.148 5.700 0.985 1.00 0.00 C ATOM 79 OD1 ASP A 7 11.046 6.568 0.966 1.00 0.00 O ATOM 80 OD2 ASP A 7 9.389 5.526 1.974 1.00 0.00 O ATOM 0 H ASP A 7 11.009 3.007 2.074 1.00 0.00 H new ATOM 0 HA ASP A 7 9.324 2.918 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.762 5.025 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.043 4.870 -0.657 1.00 0.00 H new ATOM 85 N CYS A 8 10.951 1.163 -0.881 1.00 0.00 N ATOM 86 CA CYS A 8 11.161 0.204 -1.961 1.00 0.00 C ATOM 87 C CYS A 8 9.900 -0.574 -2.358 1.00 0.00 C ATOM 88 O CYS A 8 9.400 -0.392 -3.469 1.00 0.00 O ATOM 89 CB CYS A 8 12.318 -0.734 -1.582 1.00 0.00 C ATOM 90 SG CYS A 8 12.762 -1.812 -2.975 1.00 0.00 S ATOM 0 H CYS A 8 11.302 0.841 0.021 1.00 0.00 H new ATOM 0 HA CYS A 8 11.423 0.770 -2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 8 13.185 -0.146 -1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 8 12.032 -1.342 -0.723 1.00 0.00 H new ATOM 0 HG CYS A 8 11.784 -2.633 -3.217 1.00 0.00 H new ATOM 96 N SER A 9 9.378 -1.445 -1.484 1.00 0.00 N ATOM 97 CA SER A 9 8.205 -2.270 -1.766 1.00 0.00 C ATOM 98 C SER A 9 7.259 -2.256 -0.564 1.00 0.00 C ATOM 99 O SER A 9 7.689 -2.020 0.571 1.00 0.00 O ATOM 100 CB SER A 9 8.662 -3.698 -2.108 1.00 0.00 C ATOM 101 OG SER A 9 9.702 -3.736 -3.073 1.00 0.00 O ATOM 0 H SER A 9 9.766 -1.595 -0.552 1.00 0.00 H new ATOM 0 HA SER A 9 7.661 -1.869 -2.621 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.002 -4.192 -1.198 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.809 -4.266 -2.480 1.00 0.00 H new ATOM 0 HG SER A 9 9.951 -4.667 -3.249 1.00 0.00 H new ATOM 107 N ILE A 10 5.973 -2.540 -0.800 1.00 0.00 N ATOM 108 CA ILE A 10 4.920 -2.542 0.221 1.00 0.00 C ATOM 109 C ILE A 10 5.242 -3.379 1.439 1.00 0.00 C ATOM 110 O ILE A 10 4.761 -3.045 2.521 1.00 0.00 O ATOM 111 CB ILE A 10 3.549 -2.875 -0.412 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.974 -1.617 -1.057 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.503 -3.573 0.471 1.00 0.00 C ATOM 114 CD1 ILE A 10 2.540 -0.504 -0.111 1.00 0.00 C ATOM 0 H ILE A 10 5.628 -2.781 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 10 4.862 -1.528 0.618 1.00 0.00 H new ATOM 0 HB ILE A 10 3.774 -3.645 -1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.721 -1.212 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.114 -1.906 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.594 -3.742 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.897 -4.529 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.274 -2.943 1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.150 0.334 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.764 -0.877 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.396 -0.172 0.477 1.00 0.00 H new ATOM 126 N VAL A 11 6.060 -4.414 1.294 1.00 0.00 N ATOM 127 CA VAL A 11 6.438 -5.247 2.427 1.00 0.00 C ATOM 128 C VAL A 11 6.999 -4.382 3.559 1.00 0.00 C ATOM 129 O VAL A 11 6.620 -4.548 4.723 1.00 0.00 O ATOM 130 CB VAL A 11 7.453 -6.318 2.001 1.00 0.00 C ATOM 131 CG1 VAL A 11 6.690 -7.507 1.426 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.511 -5.874 0.976 1.00 0.00 C ATOM 0 H VAL A 11 6.473 -4.696 0.405 1.00 0.00 H new ATOM 0 HA VAL A 11 5.547 -5.757 2.794 1.00 0.00 H new ATOM 0 HB VAL A 11 8.012 -6.562 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.396 -8.278 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.020 -7.911 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.108 -7.183 0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.172 -6.711 0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.017 -5.545 0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.095 -5.051 1.389 1.00 0.00 H new ATOM 142 N SER A 12 7.882 -3.449 3.213 1.00 0.00 N ATOM 143 CA SER A 12 8.515 -2.546 4.147 1.00 0.00 C ATOM 144 C SER A 12 7.539 -1.466 4.610 1.00 0.00 C ATOM 145 O SER A 12 7.585 -1.101 5.786 1.00 0.00 O ATOM 146 CB SER A 12 9.767 -1.992 3.480 1.00 0.00 C ATOM 147 OG SER A 12 10.635 -3.087 3.229 1.00 0.00 O ATOM 0 H SER A 12 8.179 -3.303 2.248 1.00 0.00 H new ATOM 0 HA SER A 12 8.812 -3.066 5.058 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.513 -1.483 2.550 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.252 -1.258 4.124 1.00 0.00 H new ATOM 0 HG SER A 12 11.453 -2.764 2.797 1.00 0.00 H new ATOM 153 N PHE A 13 6.631 -0.982 3.748 1.00 0.00 N ATOM 154 CA PHE A 13 5.674 0.033 4.198 1.00 0.00 C ATOM 155 C PHE A 13 4.802 -0.587 5.288 1.00 0.00 C ATOM 156 O PHE A 13 4.629 -0.031 6.371 1.00 0.00 O ATOM 157 CB PHE A 13 4.784 0.540 3.052 1.00 0.00 C ATOM 158 CG PHE A 13 3.782 1.630 3.447 1.00 0.00 C ATOM 159 CD1 PHE A 13 2.470 1.649 2.915 1.00 0.00 C ATOM 160 CD2 PHE A 13 4.158 2.649 4.347 1.00 0.00 C ATOM 161 CE1 PHE A 13 1.563 2.671 3.272 1.00 0.00 C ATOM 162 CE2 PHE A 13 3.252 3.656 4.712 1.00 0.00 C ATOM 163 CZ PHE A 13 1.960 3.672 4.172 1.00 0.00 C ATOM 0 H PHE A 13 6.541 -1.265 2.772 1.00 0.00 H new ATOM 0 HA PHE A 13 6.229 0.891 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.424 0.925 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.235 -0.305 2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.160 0.874 2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.156 2.654 4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.567 2.682 2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.552 4.422 5.412 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.269 4.455 4.448 1.00 0.00 H new ATOM 173 N PHE A 14 4.279 -1.783 5.014 1.00 0.00 N ATOM 174 CA PHE A 14 3.430 -2.506 5.942 1.00 0.00 C ATOM 175 C PHE A 14 4.201 -2.819 7.219 1.00 0.00 C ATOM 176 O PHE A 14 3.605 -2.749 8.291 1.00 0.00 O ATOM 177 CB PHE A 14 2.840 -3.743 5.259 1.00 0.00 C ATOM 178 CG PHE A 14 1.619 -3.458 4.392 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.655 -4.464 4.192 1.00 0.00 C ATOM 180 CD2 PHE A 14 1.418 -2.198 3.787 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.462 -4.242 3.370 1.00 0.00 C ATOM 182 CE2 PHE A 14 0.298 -1.970 2.984 1.00 0.00 C ATOM 183 CZ PHE A 14 -0.643 -2.986 2.766 1.00 0.00 C ATOM 0 H PHE A 14 4.438 -2.274 4.134 1.00 0.00 H new ATOM 0 HA PHE A 14 2.583 -1.888 6.240 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.610 -4.205 4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.567 -4.470 6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.776 -5.421 4.678 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.135 -1.406 3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.178 -5.033 3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.156 -1.002 2.527 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.502 -2.805 2.137 1.00 0.00 H new ATOM 193 N ALA A 15 5.505 -3.113 7.128 1.00 0.00 N ATOM 194 CA ALA A 15 6.321 -3.385 8.303 1.00 0.00 C ATOM 195 C ALA A 15 6.338 -2.142 9.197 1.00 0.00 C ATOM 196 O ALA A 15 6.266 -2.266 10.420 1.00 0.00 O ATOM 197 CB ALA A 15 7.755 -3.756 7.907 1.00 0.00 C ATOM 0 H ALA A 15 6.013 -3.167 6.245 1.00 0.00 H new ATOM 0 HA ALA A 15 5.890 -4.230 8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.341 -3.954 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.740 -4.647 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.205 -2.931 7.355 1.00 0.00 H new ATOM 203 N ARG A 16 6.454 -0.945 8.610 1.00 0.00 N ATOM 204 CA ARG A 16 6.468 0.309 9.356 1.00 0.00 C ATOM 205 C ARG A 16 5.103 0.590 9.970 1.00 0.00 C ATOM 206 O ARG A 16 5.048 0.933 11.148 1.00 0.00 O ATOM 207 CB ARG A 16 6.918 1.468 8.461 1.00 0.00 C ATOM 208 CG ARG A 16 8.410 1.435 8.095 1.00 0.00 C ATOM 209 CD ARG A 16 9.337 1.978 9.196 1.00 0.00 C ATOM 210 NE ARG A 16 9.543 1.032 10.305 1.00 0.00 N ATOM 211 CZ ARG A 16 10.016 1.302 11.525 1.00 0.00 C ATOM 212 NH1 ARG A 16 10.281 2.552 11.903 1.00 0.00 N ATOM 213 NH2 ARG A 16 10.269 0.298 12.347 1.00 0.00 N ATOM 0 H ARG A 16 6.541 -0.823 7.601 1.00 0.00 H new ATOM 0 HA ARG A 16 7.187 0.213 10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.329 1.454 7.544 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.699 2.409 8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.695 0.408 7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.563 2.016 7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.303 2.228 8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.917 2.903 9.591 1.00 0.00 H new ATOM 0 HE ARG A 16 9.297 0.059 10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.123 3.325 11.256 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.642 2.736 12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.103 -0.662 12.046 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.631 0.484 13.283 1.00 0.00 H new ATOM 227 N LEU A 17 4.015 0.395 9.209 1.00 0.00 N ATOM 228 CA LEU A 17 2.668 0.628 9.728 1.00 0.00 C ATOM 229 C LEU A 17 2.400 -0.339 10.883 1.00 0.00 C ATOM 230 O LEU A 17 1.806 0.062 11.879 1.00 0.00 O ATOM 231 CB LEU A 17 1.579 0.414 8.656 1.00 0.00 C ATOM 232 CG LEU A 17 1.588 1.359 7.442 1.00 0.00 C ATOM 233 CD1 LEU A 17 0.409 1.025 6.518 1.00 0.00 C ATOM 234 CD2 LEU A 17 1.499 2.838 7.836 1.00 0.00 C ATOM 0 H LEU A 17 4.046 0.079 8.240 1.00 0.00 H new ATOM 0 HA LEU A 17 2.623 1.666 10.057 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.664 -0.608 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.607 0.498 9.142 1.00 0.00 H new ATOM 0 HG LEU A 17 2.540 1.207 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.418 1.696 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.497 -0.006 6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.527 1.147 7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.510 3.455 6.938 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.574 3.013 8.386 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.350 3.099 8.465 1.00 0.00 H new ATOM 246 N GLY A 18 2.859 -1.590 10.763 1.00 0.00 N ATOM 247 CA GLY A 18 2.698 -2.652 11.747 1.00 0.00 C ATOM 248 C GLY A 18 1.767 -3.759 11.255 1.00 0.00 C ATOM 249 O GLY A 18 1.367 -4.595 12.066 1.00 0.00 O ATOM 0 H GLY A 18 3.375 -1.897 9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.673 -3.078 11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.303 -2.231 12.672 1.00 0.00 H new ATOM 253 N CYS A 19 1.404 -3.773 9.966 1.00 0.00 N ATOM 254 CA CYS A 19 0.511 -4.784 9.405 1.00 0.00 C ATOM 255 C CYS A 19 1.050 -6.202 9.617 1.00 0.00 C ATOM 256 O CYS A 19 2.260 -6.400 9.726 1.00 0.00 O ATOM 257 CB CYS A 19 0.336 -4.553 7.901 1.00 0.00 C ATOM 258 SG CYS A 19 -1.304 -5.094 7.362 1.00 0.00 S ATOM 0 H CYS A 19 1.723 -3.082 9.287 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.444 -4.691 9.922 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.470 -3.496 7.672 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.104 -5.098 7.352 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.689 -4.372 6.351 1.00 0.00 H new ATOM 264 N SER A 20 0.154 -7.186 9.546 1.00 0.00 N ATOM 265 CA SER A 20 0.461 -8.597 9.704 1.00 0.00 C ATOM 266 C SER A 20 -0.056 -9.363 8.477 1.00 0.00 C ATOM 267 O SER A 20 0.485 -9.169 7.387 1.00 0.00 O ATOM 268 CB SER A 20 -0.058 -9.076 11.069 1.00 0.00 C ATOM 269 OG SER A 20 0.288 -10.425 11.284 1.00 0.00 O ATOM 0 H SER A 20 -0.836 -7.012 9.371 1.00 0.00 H new ATOM 0 HA SER A 20 1.533 -8.792 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.361 -8.456 11.862 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.141 -8.961 11.113 1.00 0.00 H new ATOM 0 HG SER A 20 -0.048 -10.714 12.158 1.00 0.00 H new ATOM 275 N SER A 21 -1.159 -10.117 8.578 1.00 0.00 N ATOM 276 CA SER A 21 -1.712 -10.919 7.485 1.00 0.00 C ATOM 277 C SER A 21 -1.955 -10.197 6.164 1.00 0.00 C ATOM 278 O SER A 21 -1.924 -10.862 5.124 1.00 0.00 O ATOM 279 CB SER A 21 -3.045 -11.545 7.918 1.00 0.00 C ATOM 280 OG SER A 21 -2.854 -12.447 8.988 1.00 0.00 O ATOM 0 H SER A 21 -1.700 -10.186 9.440 1.00 0.00 H new ATOM 0 HA SER A 21 -0.932 -11.655 7.290 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.739 -10.760 8.218 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.498 -12.066 7.074 1.00 0.00 H new ATOM 0 HG SER A 21 -3.716 -12.833 9.249 1.00 0.00 H new ATOM 286 N CYS A 22 -2.216 -8.888 6.153 1.00 0.00 N ATOM 287 CA CYS A 22 -2.454 -8.222 4.882 1.00 0.00 C ATOM 288 C CYS A 22 -1.165 -8.083 4.072 1.00 0.00 C ATOM 289 O CYS A 22 -1.258 -7.930 2.856 1.00 0.00 O ATOM 290 CB CYS A 22 -3.213 -6.908 5.051 1.00 0.00 C ATOM 291 SG CYS A 22 -4.469 -7.042 6.363 1.00 0.00 S ATOM 0 H CYS A 22 -2.266 -8.291 6.979 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.113 -8.860 4.294 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.513 -6.108 5.293 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.692 -6.638 4.110 1.00 0.00 H new ATOM 0 HG CYS A 22 -5.184 -5.957 6.392 1.00 0.00 H new ATOM 297 N LEU A 23 0.016 -8.087 4.710 1.00 0.00 N ATOM 298 CA LEU A 23 1.279 -8.005 4.007 1.00 0.00 C ATOM 299 C LEU A 23 1.434 -9.356 3.336 1.00 0.00 C ATOM 300 O LEU A 23 1.799 -9.387 2.171 1.00 0.00 O ATOM 301 CB LEU A 23 2.447 -7.597 4.937 1.00 0.00 C ATOM 302 CG LEU A 23 3.239 -8.716 5.653 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.373 -9.269 4.778 1.00 0.00 C ATOM 304 CD2 LEU A 23 3.846 -8.153 6.942 1.00 0.00 C ATOM 0 H LEU A 23 0.108 -8.147 5.724 1.00 0.00 H new ATOM 0 HA LEU A 23 1.297 -7.211 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.154 -7.015 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.046 -6.932 5.702 1.00 0.00 H new ATOM 0 HG LEU A 23 2.546 -9.530 5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.902 -10.052 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.956 -9.682 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.067 -8.466 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.406 -8.936 7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.515 -7.328 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.049 -7.794 7.593 1.00 0.00 H new ATOM 316 N ASP A 24 1.092 -10.450 4.038 1.00 0.00 N ATOM 317 CA ASP A 24 1.202 -11.782 3.466 1.00 0.00 C ATOM 318 C ASP A 24 0.286 -11.913 2.266 1.00 0.00 C ATOM 319 O ASP A 24 0.725 -12.408 1.237 1.00 0.00 O ATOM 320 CB ASP A 24 0.911 -12.909 4.446 1.00 0.00 C ATOM 321 CG ASP A 24 1.279 -14.222 3.749 1.00 0.00 C ATOM 322 OD1 ASP A 24 2.455 -14.637 3.873 1.00 0.00 O ATOM 323 OD2 ASP A 24 0.423 -14.794 3.041 1.00 0.00 O ATOM 0 H ASP A 24 0.740 -10.428 4.995 1.00 0.00 H new ATOM 0 HA ASP A 24 2.246 -11.889 3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.491 -12.783 5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.141 -12.907 4.733 1.00 0.00 H new ATOM 328 N TYR A 25 -0.971 -11.464 2.372 1.00 0.00 N ATOM 329 CA TYR A 25 -1.886 -11.541 1.240 1.00 0.00 C ATOM 330 C TYR A 25 -1.239 -10.813 0.056 1.00 0.00 C ATOM 331 O TYR A 25 -1.174 -11.376 -1.033 1.00 0.00 O ATOM 332 CB TYR A 25 -3.281 -11.004 1.594 1.00 0.00 C ATOM 333 CG TYR A 25 -4.095 -11.853 2.570 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.769 -11.250 3.651 1.00 0.00 C ATOM 335 CD2 TYR A 25 -4.227 -13.245 2.382 1.00 0.00 C ATOM 336 CE1 TYR A 25 -5.529 -12.024 4.546 1.00 0.00 C ATOM 337 CE2 TYR A 25 -4.985 -14.028 3.273 1.00 0.00 C ATOM 338 CZ TYR A 25 -5.642 -13.418 4.365 1.00 0.00 C ATOM 339 OH TYR A 25 -6.347 -14.155 5.265 1.00 0.00 O ATOM 0 H TYR A 25 -1.367 -11.052 3.217 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.054 -12.581 0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.168 -10.006 2.017 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.852 -10.896 0.672 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.701 -10.182 3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.739 -13.717 1.542 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.029 -11.548 5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.064 -15.094 3.122 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.332 -15.098 4.999 1.00 0.00 H new ATOM 349 N PHE A 26 -0.713 -9.602 0.268 1.00 0.00 N ATOM 350 CA PHE A 26 -0.047 -8.848 -0.780 1.00 0.00 C ATOM 351 C PHE A 26 1.128 -9.647 -1.373 1.00 0.00 C ATOM 352 O PHE A 26 1.214 -9.768 -2.599 1.00 0.00 O ATOM 353 CB PHE A 26 0.420 -7.486 -0.236 1.00 0.00 C ATOM 354 CG PHE A 26 -0.458 -6.330 -0.661 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.122 -5.586 -1.804 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.632 -6.023 0.046 1.00 0.00 C ATOM 357 CE1 PHE A 26 -0.930 -4.521 -2.227 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.455 -4.974 -0.386 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.102 -4.220 -1.518 1.00 0.00 C ATOM 0 H PHE A 26 -0.741 -9.125 1.169 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.758 -8.669 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.447 -7.529 0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.440 -7.300 -0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.768 -5.837 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.900 -6.595 0.922 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.652 -3.937 -3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.363 -4.745 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.735 -3.407 -1.843 1.00 0.00 H new ATOM 369 N THR A 27 2.037 -10.183 -0.549 1.00 0.00 N ATOM 370 CA THR A 27 3.196 -10.941 -1.016 1.00 0.00 C ATOM 371 C THR A 27 2.766 -12.192 -1.789 1.00 0.00 C ATOM 372 O THR A 27 3.284 -12.441 -2.877 1.00 0.00 O ATOM 373 CB THR A 27 4.198 -11.221 0.131 1.00 0.00 C ATOM 374 OG1 THR A 27 3.678 -11.886 1.259 1.00 0.00 O ATOM 375 CG2 THR A 27 4.753 -9.923 0.721 1.00 0.00 C ATOM 0 H THR A 27 1.985 -10.100 0.466 1.00 0.00 H new ATOM 0 HA THR A 27 3.744 -10.326 -1.730 1.00 0.00 H new ATOM 0 HB THR A 27 4.934 -11.849 -0.371 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.714 -12.019 1.145 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.453 -10.158 1.523 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.269 -9.361 -0.057 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.933 -9.324 1.118 1.00 0.00 H new ATOM 383 N THR A 28 1.796 -12.944 -1.272 1.00 0.00 N ATOM 384 CA THR A 28 1.249 -14.157 -1.862 1.00 0.00 C ATOM 385 C THR A 28 0.582 -13.840 -3.214 1.00 0.00 C ATOM 386 O THR A 28 0.568 -14.699 -4.097 1.00 0.00 O ATOM 387 CB THR A 28 0.302 -14.794 -0.819 1.00 0.00 C ATOM 388 OG1 THR A 28 1.070 -15.134 0.324 1.00 0.00 O ATOM 389 CG2 THR A 28 -0.370 -16.085 -1.287 1.00 0.00 C ATOM 0 H THR A 28 1.350 -12.709 -0.385 1.00 0.00 H new ATOM 0 HA THR A 28 2.026 -14.885 -2.097 1.00 0.00 H new ATOM 0 HB THR A 28 -0.480 -14.059 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.576 -14.891 1.134 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.017 -16.466 -0.497 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.965 -15.883 -2.177 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.392 -16.828 -1.521 1.00 0.00 H new ATOM 397 N GLN A 29 0.055 -12.625 -3.409 1.00 0.00 N ATOM 398 CA GLN A 29 -0.584 -12.199 -4.653 1.00 0.00 C ATOM 399 C GLN A 29 0.443 -11.679 -5.675 1.00 0.00 C ATOM 400 O GLN A 29 0.158 -11.680 -6.874 1.00 0.00 O ATOM 401 CB GLN A 29 -1.592 -11.087 -4.344 1.00 0.00 C ATOM 402 CG GLN A 29 -2.852 -11.568 -3.601 1.00 0.00 C ATOM 403 CD GLN A 29 -3.814 -12.311 -4.523 1.00 0.00 C ATOM 404 OE1 GLN A 29 -3.901 -13.539 -4.511 1.00 0.00 O ATOM 405 NE2 GLN A 29 -4.574 -11.602 -5.343 1.00 0.00 N ATOM 0 H GLN A 29 0.063 -11.900 -2.692 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.084 -13.064 -5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.100 -10.322 -3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.893 -10.614 -5.279 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.560 -12.222 -2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.362 -10.711 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.502 -10.585 -5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.231 -12.073 -5.965 1.00 0.00 H new ATOM 414 N GLY A 30 1.616 -11.227 -5.220 1.00 0.00 N ATOM 415 CA GLY A 30 2.696 -10.713 -6.058 1.00 0.00 C ATOM 416 C GLY A 30 2.368 -9.363 -6.697 1.00 0.00 C ATOM 417 O GLY A 30 2.725 -9.123 -7.853 1.00 0.00 O ATOM 0 H GLY A 30 1.844 -11.210 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.599 -10.614 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.914 -11.437 -6.843 1.00 0.00 H new ATOM 421 N LEU A 31 1.731 -8.458 -5.951 1.00 0.00 N ATOM 422 CA LEU A 31 1.307 -7.120 -6.387 1.00 0.00 C ATOM 423 C LEU A 31 1.673 -6.015 -5.387 1.00 0.00 C ATOM 424 O LEU A 31 1.036 -4.962 -5.347 1.00 0.00 O ATOM 425 CB LEU A 31 -0.205 -7.154 -6.688 1.00 0.00 C ATOM 426 CG LEU A 31 -1.067 -7.958 -5.705 1.00 0.00 C ATOM 427 CD1 LEU A 31 -0.996 -7.448 -4.267 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.517 -8.004 -6.166 1.00 0.00 C ATOM 0 H LEU A 31 1.484 -8.644 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 31 1.854 -6.864 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.574 -6.129 -6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.348 -7.566 -7.687 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.648 -8.964 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.630 -8.065 -3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.034 -7.500 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.341 -6.415 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.107 -8.579 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.911 -6.990 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.572 -8.476 -7.147 1.00 0.00 H new ATOM 440 N THR A 32 2.681 -6.236 -4.551 1.00 0.00 N ATOM 441 CA THR A 32 3.087 -5.246 -3.560 1.00 0.00 C ATOM 442 C THR A 32 4.021 -4.239 -4.215 1.00 0.00 C ATOM 443 O THR A 32 5.110 -4.606 -4.674 1.00 0.00 O ATOM 444 CB THR A 32 3.696 -5.935 -2.292 1.00 0.00 C ATOM 445 OG1 THR A 32 5.012 -5.529 -1.939 1.00 0.00 O ATOM 446 CG2 THR A 32 3.712 -7.466 -2.278 1.00 0.00 C ATOM 0 H THR A 32 3.233 -7.094 -4.540 1.00 0.00 H new ATOM 0 HA THR A 32 2.217 -4.697 -3.199 1.00 0.00 H new ATOM 0 HB THR A 32 2.972 -5.572 -1.562 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.300 -6.013 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.158 -7.817 -1.347 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.692 -7.841 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.298 -7.831 -3.121 1.00 0.00 H new ATOM 454 N THR A 33 3.640 -2.966 -4.254 1.00 0.00 N ATOM 455 CA THR A 33 4.488 -1.931 -4.805 1.00 0.00 C ATOM 456 C THR A 33 4.039 -0.619 -4.157 1.00 0.00 C ATOM 457 O THR A 33 2.848 -0.466 -3.866 1.00 0.00 O ATOM 458 CB THR A 33 4.397 -1.982 -6.349 1.00 0.00 C ATOM 459 OG1 THR A 33 4.499 -0.698 -6.925 1.00 0.00 O ATOM 460 CG2 THR A 33 3.163 -2.723 -6.934 1.00 0.00 C ATOM 0 H THR A 33 2.741 -2.631 -3.906 1.00 0.00 H new ATOM 0 HA THR A 33 5.549 -2.054 -4.586 1.00 0.00 H new ATOM 0 HB THR A 33 5.260 -2.588 -6.626 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.600 -0.782 -7.896 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.204 -2.695 -8.023 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.167 -3.760 -6.597 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.250 -2.235 -6.593 1.00 0.00 H new ATOM 468 N ILE A 34 4.962 0.310 -3.926 1.00 0.00 N ATOM 469 CA ILE A 34 4.657 1.603 -3.297 1.00 0.00 C ATOM 470 C ILE A 34 4.040 2.588 -4.283 1.00 0.00 C ATOM 471 O ILE A 34 2.965 3.139 -4.085 1.00 0.00 O ATOM 472 CB ILE A 34 5.888 2.232 -2.599 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.739 1.280 -1.734 1.00 0.00 C ATOM 474 CG2 ILE A 34 5.444 3.415 -1.712 1.00 0.00 C ATOM 475 CD1 ILE A 34 6.078 0.846 -0.427 1.00 0.00 C ATOM 0 H ILE A 34 5.946 0.193 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 34 3.918 1.389 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 34 6.528 2.542 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.974 0.391 -2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.685 1.769 -1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.316 3.852 -1.225 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.957 4.170 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.745 3.060 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.748 0.179 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.868 1.724 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.146 0.325 -0.646 1.00 0.00 H new ATOM 487 N TYR A 35 4.768 2.807 -5.375 1.00 0.00 N ATOM 488 CA TYR A 35 4.452 3.727 -6.451 1.00 0.00 C ATOM 489 C TYR A 35 3.123 3.420 -7.129 1.00 0.00 C ATOM 490 O TYR A 35 2.557 4.279 -7.795 1.00 0.00 O ATOM 491 CB TYR A 35 5.603 3.690 -7.472 1.00 0.00 C ATOM 492 CG TYR A 35 6.999 3.757 -6.869 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.647 2.573 -6.461 1.00 0.00 C ATOM 494 CD2 TYR A 35 7.645 4.997 -6.700 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.932 2.620 -5.897 1.00 0.00 C ATOM 496 CE2 TYR A 35 8.926 5.055 -6.121 1.00 0.00 C ATOM 497 CZ TYR A 35 9.576 3.864 -5.718 1.00 0.00 C ATOM 498 OH TYR A 35 10.821 3.903 -5.174 1.00 0.00 O ATOM 0 H TYR A 35 5.646 2.314 -5.537 1.00 0.00 H new ATOM 0 HA TYR A 35 4.344 4.725 -6.025 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.520 2.775 -8.058 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.482 4.523 -8.164 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.151 1.622 -6.583 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.155 5.906 -7.016 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.427 1.707 -5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.414 6.009 -5.984 1.00 0.00 H new ATOM 0 HH TYR A 35 11.125 4.833 -5.119 1.00 0.00 H new ATOM 508 N GLN A 36 2.635 2.191 -6.981 1.00 0.00 N ATOM 509 CA GLN A 36 1.384 1.750 -7.584 1.00 0.00 C ATOM 510 C GLN A 36 0.173 2.090 -6.732 1.00 0.00 C ATOM 511 O GLN A 36 -0.836 2.521 -7.289 1.00 0.00 O ATOM 512 CB GLN A 36 1.473 0.249 -7.860 1.00 0.00 C ATOM 513 CG GLN A 36 2.244 0.003 -9.170 1.00 0.00 C ATOM 514 CD GLN A 36 1.425 0.352 -10.417 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.269 -0.026 -10.541 1.00 0.00 O ATOM 516 NE2 GLN A 36 1.993 0.994 -11.419 1.00 0.00 N ATOM 0 H GLN A 36 3.102 1.468 -6.434 1.00 0.00 H new ATOM 0 HA GLN A 36 1.243 2.288 -8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.975 -0.253 -7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.472 -0.177 -7.931 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.159 0.596 -9.164 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.543 -1.044 -9.219 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.957 1.318 -11.336 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.469 1.167 -12.277 1.00 0.00 H new ATOM 525 N ILE A 37 0.224 1.912 -5.406 1.00 0.00 N ATOM 526 CA ILE A 37 -0.932 2.246 -4.571 1.00 0.00 C ATOM 527 C ILE A 37 -1.258 3.734 -4.656 1.00 0.00 C ATOM 528 O ILE A 37 -2.382 4.111 -4.332 1.00 0.00 O ATOM 529 CB ILE A 37 -0.811 1.768 -3.118 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.530 2.199 -2.509 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.048 0.251 -3.044 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.539 2.091 -0.996 1.00 0.00 C ATOM 0 H ILE A 37 1.032 1.548 -4.900 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.772 1.687 -4.983 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.583 2.243 -2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.328 1.580 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.743 3.228 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.960 -0.081 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.046 0.020 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.306 -0.263 -3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.510 2.407 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.240 2.731 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.354 1.057 -0.704 1.00 0.00 H new ATOM 544 N GLU A 38 -0.316 4.581 -5.091 1.00 0.00 N ATOM 545 CA GLU A 38 -0.601 6.002 -5.225 1.00 0.00 C ATOM 546 C GLU A 38 -1.446 6.307 -6.459 1.00 0.00 C ATOM 547 O GLU A 38 -1.989 7.410 -6.574 1.00 0.00 O ATOM 548 CB GLU A 38 0.668 6.871 -5.130 1.00 0.00 C ATOM 549 CG GLU A 38 0.890 7.349 -3.685 1.00 0.00 C ATOM 550 CD GLU A 38 -0.361 8.023 -3.106 1.00 0.00 C ATOM 551 OE1 GLU A 38 -1.102 7.353 -2.365 1.00 0.00 O ATOM 552 OE2 GLU A 38 -0.727 9.135 -3.553 1.00 0.00 O ATOM 0 H GLU A 38 0.632 4.307 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.212 6.281 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.533 6.299 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.577 7.731 -5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.167 6.500 -3.060 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.725 8.049 -3.659 1.00 0.00 H new ATOM 559 N HIS A 39 -1.601 5.339 -7.359 1.00 0.00 N ATOM 560 CA HIS A 39 -2.391 5.480 -8.569 1.00 0.00 C ATOM 561 C HIS A 39 -3.608 4.555 -8.519 1.00 0.00 C ATOM 562 O HIS A 39 -4.639 4.906 -9.089 1.00 0.00 O ATOM 563 CB HIS A 39 -1.474 5.205 -9.761 1.00 0.00 C ATOM 564 CG HIS A 39 -0.256 6.106 -9.773 1.00 0.00 C ATOM 565 ND1 HIS A 39 -0.220 7.443 -9.438 1.00 0.00 N ATOM 566 CD2 HIS A 39 1.033 5.703 -9.962 1.00 0.00 C ATOM 567 CE1 HIS A 39 1.061 7.837 -9.427 1.00 0.00 C ATOM 568 NE2 HIS A 39 1.869 6.811 -9.752 1.00 0.00 N ATOM 0 H HIS A 39 -1.171 4.419 -7.261 1.00 0.00 H new ATOM 0 HA HIS A 39 -2.790 6.490 -8.668 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.152 4.164 -9.736 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.034 5.343 -10.686 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.354 4.706 -10.227 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.397 8.836 -9.191 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.886 6.834 -9.830 1.00 0.00 H new ATOM 576 N TYR A 40 -3.551 3.477 -7.730 1.00 0.00 N ATOM 577 CA TYR A 40 -4.632 2.524 -7.561 1.00 0.00 C ATOM 578 C TYR A 40 -5.650 3.122 -6.589 1.00 0.00 C ATOM 579 O TYR A 40 -5.478 3.048 -5.369 1.00 0.00 O ATOM 580 CB TYR A 40 -4.101 1.177 -7.034 1.00 0.00 C ATOM 581 CG TYR A 40 -3.584 0.207 -8.082 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.317 -0.419 -7.973 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.460 -0.174 -9.116 1.00 0.00 C ATOM 584 CE1 TYR A 40 -1.953 -1.410 -8.900 1.00 0.00 C ATOM 585 CE2 TYR A 40 -4.109 -1.182 -10.023 1.00 0.00 C ATOM 586 CZ TYR A 40 -2.848 -1.798 -9.916 1.00 0.00 C ATOM 587 OH TYR A 40 -2.508 -2.795 -10.767 1.00 0.00 O ATOM 0 H TYR A 40 -2.724 3.245 -7.180 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.106 2.330 -8.523 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.297 1.378 -6.326 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.900 0.687 -6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.637 -0.136 -7.183 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.417 0.318 -9.211 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.981 -1.877 -8.833 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.799 -1.484 -10.797 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.235 -2.941 -11.407 1.00 0.00 H new ATOM 597 N SER A 41 -6.700 3.747 -7.123 1.00 0.00 N ATOM 598 CA SER A 41 -7.742 4.339 -6.302 1.00 0.00 C ATOM 599 C SER A 41 -8.532 3.252 -5.559 1.00 0.00 C ATOM 600 O SER A 41 -8.383 2.048 -5.793 1.00 0.00 O ATOM 601 CB SER A 41 -8.696 5.159 -7.175 1.00 0.00 C ATOM 602 OG SER A 41 -8.076 6.272 -7.789 1.00 0.00 O ATOM 0 H SER A 41 -6.846 3.854 -8.127 1.00 0.00 H new ATOM 0 HA SER A 41 -7.269 4.992 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.116 4.514 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.528 5.507 -6.563 1.00 0.00 H new ATOM 0 HG SER A 41 -8.733 6.754 -8.333 1.00 0.00 H new ATOM 608 N MET A 42 -9.432 3.695 -4.680 1.00 0.00 N ATOM 609 CA MET A 42 -10.282 2.834 -3.867 1.00 0.00 C ATOM 610 C MET A 42 -11.100 1.845 -4.696 1.00 0.00 C ATOM 611 O MET A 42 -11.363 0.748 -4.200 1.00 0.00 O ATOM 612 CB MET A 42 -11.190 3.691 -2.992 1.00 0.00 C ATOM 613 CG MET A 42 -10.368 4.426 -1.932 1.00 0.00 C ATOM 614 SD MET A 42 -11.392 5.330 -0.760 1.00 0.00 S ATOM 615 CE MET A 42 -11.812 6.787 -1.745 1.00 0.00 C ATOM 0 H MET A 42 -9.591 4.688 -4.512 1.00 0.00 H new ATOM 0 HA MET A 42 -9.628 2.230 -3.238 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.727 4.411 -3.609 1.00 0.00 H new ATOM 0 HB3 MET A 42 -11.939 3.063 -2.510 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.754 3.706 -1.391 1.00 0.00 H new ATOM 0 HG3 MET A 42 -9.687 5.120 -2.424 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.447 7.452 -1.159 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.899 7.312 -2.026 1.00 0.00 H new ATOM 0 HE3 MET A 42 -12.344 6.477 -2.645 1.00 0.00 H new ATOM 625 N ASP A 43 -11.486 2.197 -5.925 1.00 0.00 N ATOM 626 CA ASP A 43 -12.244 1.314 -6.806 1.00 0.00 C ATOM 627 C ASP A 43 -11.442 0.050 -7.110 1.00 0.00 C ATOM 628 O ASP A 43 -11.959 -1.056 -6.955 1.00 0.00 O ATOM 629 CB ASP A 43 -12.585 2.017 -8.123 1.00 0.00 C ATOM 630 CG ASP A 43 -12.997 0.991 -9.185 1.00 0.00 C ATOM 631 OD1 ASP A 43 -12.285 0.850 -10.207 1.00 0.00 O ATOM 632 OD2 ASP A 43 -14.065 0.351 -9.022 1.00 0.00 O ATOM 0 H ASP A 43 -11.279 3.107 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.168 1.048 -6.294 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -13.394 2.730 -7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.724 2.586 -8.473 1.00 0.00 H new ATOM 637 N ASP A 44 -10.184 0.214 -7.528 1.00 0.00 N ATOM 638 CA ASP A 44 -9.313 -0.906 -7.866 1.00 0.00 C ATOM 639 C ASP A 44 -9.005 -1.718 -6.620 1.00 0.00 C ATOM 640 O ASP A 44 -9.045 -2.947 -6.662 1.00 0.00 O ATOM 641 CB ASP A 44 -8.016 -0.429 -8.533 1.00 0.00 C ATOM 642 CG ASP A 44 -8.032 -0.729 -10.029 1.00 0.00 C ATOM 643 OD1 ASP A 44 -7.892 0.235 -10.827 1.00 0.00 O ATOM 644 OD2 ASP A 44 -8.236 -1.899 -10.411 1.00 0.00 O ATOM 0 H ASP A 44 -9.745 1.128 -7.640 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.837 -1.538 -8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.893 0.642 -8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.161 -0.920 -8.068 1.00 0.00 H new ATOM 649 N LEU A 45 -8.745 -1.047 -5.496 1.00 0.00 N ATOM 650 CA LEU A 45 -8.452 -1.723 -4.238 1.00 0.00 C ATOM 651 C LEU A 45 -9.650 -2.610 -3.888 1.00 0.00 C ATOM 652 O LEU A 45 -9.484 -3.800 -3.645 1.00 0.00 O ATOM 653 CB LEU A 45 -8.113 -0.702 -3.132 1.00 0.00 C ATOM 654 CG LEU A 45 -6.807 0.073 -3.403 1.00 0.00 C ATOM 655 CD1 LEU A 45 -6.699 1.286 -2.477 1.00 0.00 C ATOM 656 CD2 LEU A 45 -5.561 -0.790 -3.186 1.00 0.00 C ATOM 0 H LEU A 45 -8.732 -0.029 -5.435 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.569 -2.355 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.936 0.007 -3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.028 -1.223 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.850 0.382 -4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.771 1.820 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.546 1.951 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.703 0.953 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.669 -0.198 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.536 -1.140 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.590 -1.647 -3.860 1.00 0.00 H new ATOM 668 N ALA A 46 -10.871 -2.068 -3.893 1.00 0.00 N ATOM 669 CA ALA A 46 -12.069 -2.841 -3.579 1.00 0.00 C ATOM 670 C ALA A 46 -12.291 -3.988 -4.571 1.00 0.00 C ATOM 671 O ALA A 46 -12.864 -5.024 -4.209 1.00 0.00 O ATOM 672 CB ALA A 46 -13.283 -1.916 -3.607 1.00 0.00 C ATOM 0 H ALA A 46 -11.053 -1.089 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.935 -3.276 -2.589 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.181 -2.487 -3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.154 -1.124 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.382 -1.475 -4.599 1.00 0.00 H new ATOM 678 N SER A 47 -11.895 -3.801 -5.829 1.00 0.00 N ATOM 679 CA SER A 47 -12.017 -4.769 -6.906 1.00 0.00 C ATOM 680 C SER A 47 -11.088 -5.960 -6.640 1.00 0.00 C ATOM 681 O SER A 47 -11.503 -7.111 -6.794 1.00 0.00 O ATOM 682 CB SER A 47 -11.699 -4.030 -8.213 1.00 0.00 C ATOM 683 OG SER A 47 -11.856 -4.832 -9.355 1.00 0.00 O ATOM 0 H SER A 47 -11.461 -2.930 -6.134 1.00 0.00 H new ATOM 0 HA SER A 47 -13.022 -5.185 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.348 -3.158 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.674 -3.661 -8.174 1.00 0.00 H new ATOM 0 HG SER A 47 -11.642 -4.308 -10.155 1.00 0.00 H new ATOM 689 N LEU A 48 -9.877 -5.709 -6.136 1.00 0.00 N ATOM 690 CA LEU A 48 -8.808 -6.663 -5.812 1.00 0.00 C ATOM 691 C LEU A 48 -9.117 -7.538 -4.588 1.00 0.00 C ATOM 692 O LEU A 48 -8.209 -8.049 -3.933 1.00 0.00 O ATOM 693 CB LEU A 48 -7.477 -5.889 -5.678 1.00 0.00 C ATOM 694 CG LEU A 48 -6.889 -5.493 -7.048 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.839 -4.392 -6.871 1.00 0.00 C ATOM 696 CD2 LEU A 48 -6.240 -6.702 -7.737 1.00 0.00 C ATOM 0 H LEU A 48 -9.593 -4.752 -5.925 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.725 -7.379 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.640 -4.991 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.755 -6.503 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.705 -5.128 -7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.430 -4.120 -7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.302 -3.517 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.036 -4.754 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.833 -6.396 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.437 -7.090 -7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.989 -7.479 -7.889 1.00 0.00 H new ATOM 708 N LYS A 49 -10.404 -7.711 -4.274 1.00 0.00 N ATOM 709 CA LYS A 49 -10.985 -8.490 -3.180 1.00 0.00 C ATOM 710 C LYS A 49 -10.677 -7.903 -1.800 1.00 0.00 C ATOM 711 O LYS A 49 -10.949 -8.545 -0.783 1.00 0.00 O ATOM 712 CB LYS A 49 -10.571 -9.983 -3.254 1.00 0.00 C ATOM 713 CG LYS A 49 -10.627 -10.654 -4.640 1.00 0.00 C ATOM 714 CD LYS A 49 -12.055 -10.883 -5.145 1.00 0.00 C ATOM 715 CE LYS A 49 -12.066 -11.349 -6.608 1.00 0.00 C ATOM 716 NZ LYS A 49 -11.719 -10.261 -7.549 1.00 0.00 N ATOM 0 H LYS A 49 -11.133 -7.267 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 49 -12.065 -8.432 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.553 -10.072 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.213 -10.547 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.090 -10.034 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.107 -11.611 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.548 -11.628 -4.521 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.628 -9.960 -5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.360 -12.170 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.054 -11.738 -6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.429 -10.218 -8.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.701 -9.354 -7.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.782 -10.445 -7.962 1.00 0.00 H new ATOM 730 N ILE A 50 -10.127 -6.694 -1.742 1.00 0.00 N ATOM 731 CA ILE A 50 -9.762 -6.020 -0.511 1.00 0.00 C ATOM 732 C ILE A 50 -11.032 -5.534 0.201 1.00 0.00 C ATOM 733 O ILE A 50 -11.814 -4.776 -0.388 1.00 0.00 O ATOM 734 CB ILE A 50 -8.788 -4.870 -0.829 1.00 0.00 C ATOM 735 CG1 ILE A 50 -7.640 -5.300 -1.776 1.00 0.00 C ATOM 736 CG2 ILE A 50 -8.174 -4.317 0.449 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.733 -6.417 -1.241 1.00 0.00 C ATOM 0 H ILE A 50 -9.919 -6.145 -2.576 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.251 -6.705 0.166 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.380 -4.106 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.074 -5.628 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.024 -4.427 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.489 -3.506 0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.964 -3.940 1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.629 -5.109 0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.963 -6.644 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.263 -6.091 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.329 -7.310 -1.052 1.00 0.00 H new ATOM 749 N PRO A 51 -11.271 -5.958 1.454 1.00 0.00 N ATOM 750 CA PRO A 51 -12.437 -5.517 2.197 1.00 0.00 C ATOM 751 C PRO A 51 -12.222 -4.048 2.565 1.00 0.00 C ATOM 752 O PRO A 51 -11.097 -3.628 2.856 1.00 0.00 O ATOM 753 CB PRO A 51 -12.514 -6.418 3.425 1.00 0.00 C ATOM 754 CG PRO A 51 -11.066 -6.844 3.659 1.00 0.00 C ATOM 755 CD PRO A 51 -10.446 -6.841 2.265 1.00 0.00 C ATOM 0 HA PRO A 51 -13.371 -5.586 1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.918 -5.886 4.286 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.160 -7.278 3.250 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.550 -6.153 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.010 -7.831 4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.415 -6.488 2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.425 -7.847 1.846 1.00 0.00 H new ATOM 763 N GLU A 52 -13.310 -3.283 2.626 1.00 0.00 N ATOM 764 CA GLU A 52 -13.306 -1.854 2.930 1.00 0.00 C ATOM 765 C GLU A 52 -12.539 -1.491 4.202 1.00 0.00 C ATOM 766 O GLU A 52 -11.758 -0.550 4.186 1.00 0.00 O ATOM 767 CB GLU A 52 -14.752 -1.328 2.958 1.00 0.00 C ATOM 768 CG GLU A 52 -15.563 -1.819 4.171 1.00 0.00 C ATOM 769 CD GLU A 52 -17.009 -2.134 3.810 1.00 0.00 C ATOM 770 OE1 GLU A 52 -17.389 -3.325 3.958 1.00 0.00 O ATOM 771 OE2 GLU A 52 -17.745 -1.238 3.368 1.00 0.00 O ATOM 0 H GLU A 52 -14.247 -3.652 2.460 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.757 -1.357 2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.733 -0.238 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.259 -1.636 2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.091 -2.711 4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.543 -1.058 4.951 1.00 0.00 H new ATOM 778 N GLN A 53 -12.656 -2.303 5.253 1.00 0.00 N ATOM 779 CA GLN A 53 -12.035 -2.084 6.546 1.00 0.00 C ATOM 780 C GLN A 53 -10.527 -1.931 6.441 1.00 0.00 C ATOM 781 O GLN A 53 -9.954 -0.947 6.899 1.00 0.00 O ATOM 782 CB GLN A 53 -12.369 -3.298 7.429 1.00 0.00 C ATOM 783 CG GLN A 53 -13.865 -3.470 7.706 1.00 0.00 C ATOM 784 CD GLN A 53 -14.341 -2.512 8.790 1.00 0.00 C ATOM 785 OE1 GLN A 53 -14.101 -1.311 8.749 1.00 0.00 O ATOM 786 NE2 GLN A 53 -14.966 -3.054 9.816 1.00 0.00 N ATOM 0 H GLN A 53 -13.207 -3.161 5.219 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.419 -1.157 6.972 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.993 -4.200 6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.842 -3.200 8.378 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -14.429 -3.295 6.790 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -14.065 -4.497 8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.154 -4.056 9.827 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.261 -2.471 10.599 1.00 0.00 H new ATOM 795 N PHE A 54 -9.882 -2.903 5.803 1.00 0.00 N ATOM 796 CA PHE A 54 -8.445 -2.865 5.630 1.00 0.00 C ATOM 797 C PHE A 54 -8.112 -1.865 4.521 1.00 0.00 C ATOM 798 O PHE A 54 -7.207 -1.058 4.701 1.00 0.00 O ATOM 799 CB PHE A 54 -7.911 -4.279 5.384 1.00 0.00 C ATOM 800 CG PHE A 54 -6.560 -4.268 4.718 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.514 -4.482 3.336 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.391 -3.927 5.422 1.00 0.00 C ATOM 803 CE1 PHE A 54 -5.299 -4.391 2.644 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.175 -3.818 4.729 1.00 0.00 C ATOM 805 CZ PHE A 54 -4.129 -4.055 3.343 1.00 0.00 C ATOM 0 H PHE A 54 -10.336 -3.723 5.400 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.943 -2.516 6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.842 -4.810 6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.617 -4.829 4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.421 -4.719 2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.429 -3.750 6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.263 -4.578 1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.273 -3.552 5.261 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.190 -3.978 2.815 1.00 0.00 H new ATOM 815 N ARG A 55 -8.845 -1.869 3.398 1.00 0.00 N ATOM 816 CA ARG A 55 -8.641 -0.949 2.274 1.00 0.00 C ATOM 817 C ARG A 55 -8.533 0.495 2.758 1.00 0.00 C ATOM 818 O ARG A 55 -7.630 1.206 2.321 1.00 0.00 O ATOM 819 CB ARG A 55 -9.781 -1.109 1.257 1.00 0.00 C ATOM 820 CG ARG A 55 -9.863 0.038 0.231 1.00 0.00 C ATOM 821 CD ARG A 55 -10.877 -0.220 -0.889 1.00 0.00 C ATOM 822 NE ARG A 55 -12.261 -0.405 -0.420 1.00 0.00 N ATOM 823 CZ ARG A 55 -13.185 0.530 -0.165 1.00 0.00 C ATOM 824 NH1 ARG A 55 -12.875 1.820 -0.063 1.00 0.00 N ATOM 825 NH2 ARG A 55 -14.446 0.154 -0.018 1.00 0.00 N ATOM 0 H ARG A 55 -9.611 -2.525 3.245 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.699 -1.198 1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.652 -2.052 0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.728 -1.173 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -10.130 0.960 0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.878 0.193 -0.209 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.851 0.617 -1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.571 -1.108 -1.443 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.553 -1.371 -0.270 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.908 2.123 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.604 2.506 0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.697 -0.831 -0.099 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.166 0.850 0.177 1.00 0.00 H new ATOM 839 N HIS A 56 -9.439 0.931 3.629 1.00 0.00 N ATOM 840 CA HIS A 56 -9.413 2.285 4.134 1.00 0.00 C ATOM 841 C HIS A 56 -8.123 2.570 4.889 1.00 0.00 C ATOM 842 O HIS A 56 -7.634 3.690 4.806 1.00 0.00 O ATOM 843 CB HIS A 56 -10.623 2.551 5.050 1.00 0.00 C ATOM 844 CG HIS A 56 -11.966 2.641 4.360 1.00 0.00 C ATOM 845 ND1 HIS A 56 -12.293 3.486 3.323 1.00 0.00 N ATOM 846 CD2 HIS A 56 -13.115 1.999 4.738 1.00 0.00 C ATOM 847 CE1 HIS A 56 -13.612 3.368 3.091 1.00 0.00 C ATOM 848 NE2 HIS A 56 -14.151 2.453 3.912 1.00 0.00 N ATOM 0 H HIS A 56 -10.199 0.358 3.996 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.465 2.954 3.275 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.672 1.757 5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.449 3.483 5.588 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.206 1.272 5.532 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.160 3.930 2.349 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.124 2.148 3.931 1.00 0.00 H new ATOM 856 N ALA A 57 -7.564 1.602 5.615 1.00 0.00 N ATOM 857 CA ALA A 57 -6.352 1.805 6.383 1.00 0.00 C ATOM 858 C ALA A 57 -5.121 1.939 5.493 1.00 0.00 C ATOM 859 O ALA A 57 -4.311 2.834 5.740 1.00 0.00 O ATOM 860 CB ALA A 57 -6.194 0.655 7.368 1.00 0.00 C ATOM 0 H ALA A 57 -7.944 0.658 5.682 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.439 2.746 6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.284 0.798 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.054 0.628 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.130 -0.286 6.822 1.00 0.00 H new ATOM 866 N ILE A 58 -4.964 1.087 4.471 1.00 0.00 N ATOM 867 CA ILE A 58 -3.818 1.160 3.581 1.00 0.00 C ATOM 868 C ILE A 58 -3.863 2.473 2.827 1.00 0.00 C ATOM 869 O ILE A 58 -2.873 3.207 2.784 1.00 0.00 O ATOM 870 CB ILE A 58 -3.753 -0.056 2.619 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.913 0.199 1.346 1.00 0.00 C ATOM 872 CG2 ILE A 58 -5.078 -0.606 2.072 1.00 0.00 C ATOM 873 CD1 ILE A 58 -1.502 0.745 1.582 1.00 0.00 C ATOM 0 H ILE A 58 -5.623 0.341 4.247 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.905 1.121 4.175 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.310 -0.779 3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.833 -0.736 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.453 0.901 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.877 -1.452 1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.707 -0.931 2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.592 0.175 1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.002 0.887 0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.564 1.700 2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.934 0.037 2.186 1.00 0.00 H new ATOM 885 N TRP A 59 -5.015 2.739 2.216 1.00 0.00 N ATOM 886 CA TRP A 59 -5.205 3.928 1.426 1.00 0.00 C ATOM 887 C TRP A 59 -4.949 5.152 2.295 1.00 0.00 C ATOM 888 O TRP A 59 -4.216 6.049 1.892 1.00 0.00 O ATOM 889 CB TRP A 59 -6.564 3.858 0.737 1.00 0.00 C ATOM 890 CG TRP A 59 -6.627 4.671 -0.505 1.00 0.00 C ATOM 891 CD1 TRP A 59 -5.942 4.426 -1.644 1.00 0.00 C ATOM 892 CD2 TRP A 59 -7.283 5.947 -0.695 1.00 0.00 C ATOM 893 NE1 TRP A 59 -6.230 5.420 -2.562 1.00 0.00 N ATOM 894 CE2 TRP A 59 -7.032 6.401 -2.017 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.992 6.796 0.169 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.507 7.641 -2.468 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.432 8.060 -0.257 1.00 0.00 C ATOM 898 CH2 TRP A 59 -8.201 8.475 -1.577 1.00 0.00 C ATOM 0 H TRP A 59 -5.833 2.132 2.261 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.485 4.011 0.612 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.790 2.819 0.497 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.334 4.200 1.428 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.278 3.591 -1.810 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.891 5.427 -3.524 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.203 6.472 1.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -7.341 7.951 -3.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.948 8.712 0.432 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.558 9.439 -1.909 1.00 0.00 H new ATOM 909 N LYS A 60 -5.476 5.172 3.522 1.00 0.00 N ATOM 910 CA LYS A 60 -5.253 6.282 4.432 1.00 0.00 C ATOM 911 C LYS A 60 -3.770 6.412 4.757 1.00 0.00 C ATOM 912 O LYS A 60 -3.276 7.530 4.766 1.00 0.00 O ATOM 913 CB LYS A 60 -6.110 6.080 5.688 1.00 0.00 C ATOM 914 CG LYS A 60 -5.952 7.150 6.768 1.00 0.00 C ATOM 915 CD LYS A 60 -6.330 8.545 6.255 1.00 0.00 C ATOM 916 CE LYS A 60 -6.362 9.545 7.409 1.00 0.00 C ATOM 917 NZ LYS A 60 -7.514 9.312 8.300 1.00 0.00 N ATOM 0 H LYS A 60 -6.060 4.427 3.902 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.555 7.219 3.963 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.158 6.041 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.865 5.111 6.122 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.578 6.897 7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.920 7.160 7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.611 8.870 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.305 8.509 5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.438 9.470 7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.409 10.559 7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.664 10.148 8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.366 9.139 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.326 8.484 8.901 1.00 0.00 H new ATOM 931 N GLY A 61 -3.037 5.316 4.969 1.00 0.00 N ATOM 932 CA GLY A 61 -1.620 5.399 5.305 1.00 0.00 C ATOM 933 C GLY A 61 -0.811 6.115 4.228 1.00 0.00 C ATOM 934 O GLY A 61 -0.050 7.053 4.510 1.00 0.00 O ATOM 0 H GLY A 61 -3.403 4.366 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.504 5.924 6.253 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.223 4.394 5.447 1.00 0.00 H new ATOM 938 N ILE A 62 -0.975 5.686 2.981 1.00 0.00 N ATOM 939 CA ILE A 62 -0.232 6.285 1.879 1.00 0.00 C ATOM 940 C ILE A 62 -0.701 7.695 1.573 1.00 0.00 C ATOM 941 O ILE A 62 0.144 8.570 1.382 1.00 0.00 O ATOM 942 CB ILE A 62 -0.237 5.338 0.683 1.00 0.00 C ATOM 943 CG1 ILE A 62 0.863 5.677 -0.344 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.611 5.153 0.009 1.00 0.00 C ATOM 945 CD1 ILE A 62 2.290 5.417 0.160 1.00 0.00 C ATOM 0 H ILE A 62 -1.609 4.934 2.710 1.00 0.00 H new ATOM 0 HA ILE A 62 0.810 6.415 2.170 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.001 4.365 1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.695 5.091 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.773 6.727 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.515 4.464 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.319 4.748 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.972 6.116 -0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.005 5.680 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.479 6.024 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.400 4.362 0.412 1.00 0.00 H new ATOM 957 N LEU A 63 -2.016 7.932 1.584 1.00 0.00 N ATOM 958 CA LEU A 63 -2.547 9.270 1.329 1.00 0.00 C ATOM 959 C LEU A 63 -2.029 10.201 2.417 1.00 0.00 C ATOM 960 O LEU A 63 -1.807 11.382 2.168 1.00 0.00 O ATOM 961 CB LEU A 63 -4.090 9.312 1.331 1.00 0.00 C ATOM 962 CG LEU A 63 -4.745 9.276 -0.062 1.00 0.00 C ATOM 963 CD1 LEU A 63 -4.490 10.559 -0.862 1.00 0.00 C ATOM 964 CD2 LEU A 63 -4.299 8.081 -0.899 1.00 0.00 C ATOM 0 H LEU A 63 -2.725 7.221 1.765 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.217 9.578 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.460 8.467 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.413 10.218 1.844 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.812 9.183 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.973 10.482 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.898 11.412 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.417 10.695 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.795 8.111 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.219 8.120 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.564 7.157 -0.385 1.00 0.00 H new ATOM 976 N ASP A 64 -1.840 9.668 3.623 1.00 0.00 N ATOM 977 CA ASP A 64 -1.370 10.477 4.741 1.00 0.00 C ATOM 978 C ASP A 64 0.096 10.845 4.539 1.00 0.00 C ATOM 979 O ASP A 64 0.529 11.944 4.874 1.00 0.00 O ATOM 980 CB ASP A 64 -1.507 9.756 6.089 1.00 0.00 C ATOM 981 CG ASP A 64 -2.901 9.735 6.710 1.00 0.00 C ATOM 982 OD1 ASP A 64 -3.075 9.001 7.715 1.00 0.00 O ATOM 983 OD2 ASP A 64 -3.761 10.558 6.327 1.00 0.00 O ATOM 0 H ASP A 64 -2.004 8.687 3.848 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.996 11.369 4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.175 8.726 5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.824 10.225 6.798 1.00 0.00 H new ATOM 988 N HIS A 65 0.880 9.901 4.033 1.00 0.00 N ATOM 989 CA HIS A 65 2.304 10.056 3.793 1.00 0.00 C ATOM 990 C HIS A 65 2.564 11.048 2.668 1.00 0.00 C ATOM 991 O HIS A 65 3.343 11.988 2.824 1.00 0.00 O ATOM 992 CB HIS A 65 2.905 8.692 3.455 1.00 0.00 C ATOM 993 CG HIS A 65 4.384 8.751 3.173 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.346 9.420 3.906 1.00 0.00 N ATOM 995 CD2 HIS A 65 4.987 8.222 2.066 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.515 9.280 3.256 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.341 8.558 2.133 1.00 0.00 N ATOM 0 H HIS A 65 0.529 8.980 3.771 1.00 0.00 H new ATOM 0 HA HIS A 65 2.776 10.450 4.693 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.726 8.007 4.284 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.392 8.281 2.586 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.506 7.651 1.286 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.458 9.688 3.587 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.062 8.304 1.458 1.00 0.00 H new ATOM 1005 N ARG A 66 1.924 10.828 1.520 1.00 0.00 N ATOM 1006 CA ARG A 66 2.083 11.697 0.369 1.00 0.00 C ATOM 1007 C ARG A 66 1.546 13.079 0.704 1.00 0.00 C ATOM 1008 O ARG A 66 2.064 14.050 0.156 1.00 0.00 O ATOM 1009 CB ARG A 66 1.450 11.064 -0.885 1.00 0.00 C ATOM 1010 CG ARG A 66 -0.072 10.913 -0.765 1.00 0.00 C ATOM 1011 CD ARG A 66 -0.857 12.049 -1.422 1.00 0.00 C ATOM 1012 NE ARG A 66 -1.133 11.728 -2.830 1.00 0.00 N ATOM 1013 CZ ARG A 66 -0.784 12.372 -3.948 1.00 0.00 C ATOM 1014 NH1 ARG A 66 -0.133 13.528 -3.932 1.00 0.00 N ATOM 1015 NH2 ARG A 66 -1.116 11.859 -5.122 1.00 0.00 N ATOM 0 H ARG A 66 1.286 10.046 1.368 1.00 0.00 H new ATOM 0 HA ARG A 66 3.139 11.819 0.128 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.683 11.678 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.896 10.085 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.371 9.968 -1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.341 10.860 0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.793 12.210 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.290 12.977 -1.358 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.678 10.878 -2.977 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.120 13.958 -3.043 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.114 13.986 -4.809 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.633 10.981 -5.167 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.855 12.342 -5.982 1.00 0.00 H new ATOM 1029 N GLN A 67 0.523 13.190 1.573 1.00 0.00 N ATOM 1030 CA GLN A 67 0.031 14.530 1.901 1.00 0.00 C ATOM 1031 C GLN A 67 0.959 15.239 2.886 1.00 0.00 C ATOM 1032 O GLN A 67 1.050 16.468 2.881 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.425 14.529 2.364 1.00 0.00 C ATOM 1034 CG GLN A 67 -1.704 14.288 3.852 1.00 0.00 C ATOM 1035 CD GLN A 67 -3.162 14.560 4.220 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -4.094 14.254 3.483 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -3.403 15.187 5.355 1.00 0.00 N ATOM 0 H GLN A 67 0.048 12.414 2.034 1.00 0.00 H new ATOM 0 HA GLN A 67 0.043 15.107 0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.863 15.490 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.956 13.765 1.796 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.454 13.257 4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.055 14.928 4.449 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.631 15.443 5.970 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.362 15.416 5.618 1.00 0.00 H new ATOM 1046 N LEU A 68 1.622 14.468 3.747 1.00 0.00 N ATOM 1047 CA LEU A 68 2.559 14.967 4.748 1.00 0.00 C ATOM 1048 C LEU A 68 3.818 15.521 4.097 1.00 0.00 C ATOM 1049 O LEU A 68 4.286 16.584 4.500 1.00 0.00 O ATOM 1050 CB LEU A 68 2.980 13.852 5.718 1.00 0.00 C ATOM 1051 CG LEU A 68 2.089 13.732 6.960 1.00 0.00 C ATOM 1052 CD1 LEU A 68 2.469 12.447 7.703 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.261 14.943 7.877 1.00 0.00 C ATOM 0 H LEU A 68 1.518 13.453 3.767 1.00 0.00 H new ATOM 0 HA LEU A 68 2.042 15.759 5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.973 12.901 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.007 14.031 6.037 1.00 0.00 H new ATOM 0 HG LEU A 68 1.043 13.697 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.846 12.342 8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.315 11.589 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.517 12.494 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.618 14.833 8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.300 15.011 8.198 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.988 15.850 7.337 1.00 0.00 H new ATOM 1065 N HIS A 69 4.409 14.794 3.148 1.00 0.00 N ATOM 1066 CA HIS A 69 5.622 15.211 2.467 1.00 0.00 C ATOM 1067 C HIS A 69 5.339 16.245 1.377 1.00 0.00 C ATOM 1068 O HIS A 69 4.229 16.770 1.274 1.00 0.00 O ATOM 1069 CB HIS A 69 6.414 13.962 2.048 1.00 0.00 C ATOM 1070 CG HIS A 69 7.416 13.542 3.104 1.00 0.00 C ATOM 1071 ND1 HIS A 69 7.433 13.943 4.426 1.00 0.00 N ATOM 1072 CD2 HIS A 69 8.525 12.767 2.898 1.00 0.00 C ATOM 1073 CE1 HIS A 69 8.527 13.421 5.002 1.00 0.00 C ATOM 1074 NE2 HIS A 69 9.225 12.699 4.110 1.00 0.00 N ATOM 0 H HIS A 69 4.051 13.892 2.832 1.00 0.00 H new ATOM 0 HA HIS A 69 6.279 15.762 3.139 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.722 13.141 1.858 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.936 14.161 1.112 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.809 12.294 1.970 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.806 13.561 6.036 1.00 0.00 H new ATOM 0 HE2 HIS A 69 10.097 12.198 4.282 1.00 0.00 H new ATOM 1082 N ASP A 70 6.363 16.634 0.621 1.00 0.00 N ATOM 1083 CA ASP A 70 6.320 17.623 -0.449 1.00 0.00 C ATOM 1084 C ASP A 70 7.029 17.036 -1.651 1.00 0.00 C ATOM 1085 O ASP A 70 8.247 16.788 -1.584 1.00 0.00 O ATOM 1086 CB ASP A 70 6.990 18.897 0.072 1.00 0.00 C ATOM 1087 CG ASP A 70 6.894 20.119 -0.840 1.00 0.00 C ATOM 1088 OD1 ASP A 70 5.956 20.262 -1.653 1.00 0.00 O ATOM 1089 OD2 ASP A 70 7.701 21.053 -0.585 1.00 0.00 O ATOM 0 H ASP A 70 7.297 16.244 0.747 1.00 0.00 H new ATOM 0 HA ASP A 70 5.305 17.877 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.547 19.150 1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.044 18.683 0.252 1.00 0.00 H new TER 1094 ASP A 70