USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 500 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 9 TYR OH : rot -15:sc= 1 USER MOD Set 1.2: A 36 LYS NZ :NH3+ -136:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 1.2 K(o=1.2,f=-0.13) USER MOD Single : A 8 SER OG : rot 111:sc= 0.985 USER MOD Single : A 10 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.51) USER MOD Single : A 13 TYR OH : rot 120:sc= 0.773 USER MOD Single : A 14 SER OG : rot 180:sc= 0.82 USER MOD Single : A 15 TYR OH : rot 165:sc= -0.0061 USER MOD Single : A 18 GLN : amide:sc= -5.65! K(o=-5.6!,f=-0.88) USER MOD Single : A 19 ASN : amide:sc= 0.967 K(o=0.97,f=0) USER MOD Single : A 34 MET CE :methyl -116:sc= -1.9 (180deg=-2.06) USER MOD Single : A 37 CYS SG : rot 93:sc= -0.148 USER MOD Single : A 46 SER OG : rot 61:sc= 0.368 USER MOD Single : A 49 THR OG1 : rot 5:sc= 0.682! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.664 X(o=-0.66,f=-0.31) USER MOD Single : A 54 THR OG1 : rot 34:sc= 0.00409 USER MOD Single : A 58 ASN : amide:sc= -0.834 K(o=-0.83,f=-0.00037) USER MOD Single : A 59 TYR OH : rot -116:sc= 0.274 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0155) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -13.372 -5.185 -9.442 1.00 0.00 N ATOM 2 CA GLN A 1 -14.575 -4.326 -9.463 1.00 0.00 C ATOM 3 C GLN A 1 -14.774 -3.660 -8.109 1.00 0.00 C ATOM 4 O GLN A 1 -15.232 -4.301 -7.163 1.00 0.00 O ATOM 5 CB GLN A 1 -15.805 -5.163 -9.822 1.00 0.00 C ATOM 6 CG GLN A 1 -17.111 -4.384 -9.816 1.00 0.00 C ATOM 7 CD GLN A 1 -18.312 -5.259 -10.114 1.00 0.00 C ATOM 8 OE1 GLN A 1 -18.213 -6.245 -10.844 1.00 0.00 O ATOM 9 NE2 GLN A 1 -19.455 -4.909 -9.550 1.00 0.00 N ATOM 0 H1 GLN A 1 -13.249 -5.633 -10.373 1.00 0.00 H new ATOM 0 H2 GLN A 1 -12.536 -4.606 -9.223 1.00 0.00 H new ATOM 0 H3 GLN A 1 -13.484 -5.921 -8.716 1.00 0.00 H new ATOM 0 HA GLN A 1 -14.439 -3.549 -10.216 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -15.659 -5.598 -10.811 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -15.885 -5.991 -9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -17.243 -3.911 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -17.056 -3.584 -10.555 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -19.497 -4.085 -8.951 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -20.295 -5.463 -9.714 1.00 0.00 H new ATOM 20 N THR A 2 -14.422 -2.378 -8.027 1.00 0.00 N ATOM 21 CA THR A 2 -14.553 -1.602 -6.794 1.00 0.00 C ATOM 22 C THR A 2 -13.588 -2.112 -5.722 1.00 0.00 C ATOM 23 O THR A 2 -13.739 -3.219 -5.205 1.00 0.00 O ATOM 24 CB THR A 2 -16.000 -1.642 -6.253 1.00 0.00 C ATOM 25 OG1 THR A 2 -16.922 -1.297 -7.298 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.177 -0.682 -5.083 1.00 0.00 C ATOM 0 H THR A 2 -14.039 -1.849 -8.810 1.00 0.00 H new ATOM 0 HA THR A 2 -14.302 -0.569 -7.035 1.00 0.00 H new ATOM 0 HB THR A 2 -16.201 -2.654 -5.903 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.837 -1.326 -6.949 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.205 -0.732 -4.724 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.497 -0.960 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.956 0.334 -5.409 1.00 0.00 H new ATOM 34 N SER A 3 -12.589 -1.311 -5.395 1.00 0.00 N ATOM 35 CA SER A 3 -11.617 -1.689 -4.384 1.00 0.00 C ATOM 36 C SER A 3 -12.221 -1.563 -2.986 1.00 0.00 C ATOM 37 O SER A 3 -12.245 -0.474 -2.410 1.00 0.00 O ATOM 38 CB SER A 3 -10.375 -0.805 -4.497 1.00 0.00 C ATOM 39 OG SER A 3 -9.874 -0.781 -5.826 1.00 0.00 O ATOM 0 H SER A 3 -12.430 -0.395 -5.815 1.00 0.00 H new ATOM 0 HA SER A 3 -11.333 -2.728 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.619 0.209 -4.180 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.602 -1.173 -3.822 1.00 0.00 H new ATOM 0 HG SER A 3 -9.081 -0.206 -5.866 1.00 0.00 H new ATOM 45 N GLN A 4 -12.738 -2.667 -2.457 1.00 0.00 N ATOM 46 CA GLN A 4 -13.289 -2.674 -1.110 1.00 0.00 C ATOM 47 C GLN A 4 -13.040 -4.021 -0.428 1.00 0.00 C ATOM 48 O GLN A 4 -11.907 -4.340 -0.076 1.00 0.00 O ATOM 49 CB GLN A 4 -14.785 -2.341 -1.136 1.00 0.00 C ATOM 50 CG GLN A 4 -15.394 -2.173 0.249 1.00 0.00 C ATOM 51 CD GLN A 4 -16.839 -1.721 0.207 1.00 0.00 C ATOM 52 OE1 GLN A 4 -17.124 -0.525 0.138 1.00 0.00 O ATOM 53 NE2 GLN A 4 -17.762 -2.663 0.301 1.00 0.00 N ATOM 0 H GLN A 4 -12.786 -3.564 -2.940 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.781 -1.904 -0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -14.935 -1.423 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -15.316 -3.133 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -15.330 -3.120 0.786 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.808 -1.447 0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -17.486 -3.643 0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -18.750 -2.409 0.318 1.00 0.00 H new ATOM 62 N ASP A 5 -14.092 -4.828 -0.278 1.00 0.00 N ATOM 63 CA ASP A 5 -13.992 -6.115 0.419 1.00 0.00 C ATOM 64 C ASP A 5 -13.401 -7.199 -0.474 1.00 0.00 C ATOM 65 O ASP A 5 -13.790 -8.366 -0.389 1.00 0.00 O ATOM 66 CB ASP A 5 -15.363 -6.579 0.910 1.00 0.00 C ATOM 67 CG ASP A 5 -16.031 -5.588 1.835 1.00 0.00 C ATOM 68 OD1 ASP A 5 -15.542 -5.393 2.967 1.00 0.00 O ATOM 69 OD2 ASP A 5 -17.058 -5.002 1.432 1.00 0.00 O ATOM 0 H ASP A 5 -15.025 -4.614 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 5 -13.329 -5.957 1.269 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.009 -6.756 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.253 -7.532 1.427 1.00 0.00 H new ATOM 74 N LEU A 6 -12.472 -6.819 -1.330 1.00 0.00 N ATOM 75 CA LEU A 6 -11.780 -7.778 -2.172 1.00 0.00 C ATOM 76 C LEU A 6 -10.591 -8.330 -1.401 1.00 0.00 C ATOM 77 O LEU A 6 -10.274 -9.519 -1.486 1.00 0.00 O ATOM 78 CB LEU A 6 -11.331 -7.111 -3.474 1.00 0.00 C ATOM 79 CG LEU A 6 -10.768 -8.056 -4.536 1.00 0.00 C ATOM 80 CD1 LEU A 6 -11.801 -9.105 -4.920 1.00 0.00 C ATOM 81 CD2 LEU A 6 -10.338 -7.267 -5.760 1.00 0.00 C ATOM 0 H LEU A 6 -12.178 -5.851 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 6 -12.449 -8.597 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -12.180 -6.578 -3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.572 -6.365 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.898 -8.566 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -11.382 -9.768 -5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -12.074 -9.686 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.688 -8.613 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.938 -7.949 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.197 -6.737 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.569 -6.548 -5.478 1.00 0.00 H new ATOM 93 N PHE A 7 -9.958 -7.434 -0.647 1.00 0.00 N ATOM 94 CA PHE A 7 -8.884 -7.765 0.286 1.00 0.00 C ATOM 95 C PHE A 7 -8.301 -6.464 0.816 1.00 0.00 C ATOM 96 O PHE A 7 -7.838 -5.639 0.040 1.00 0.00 O ATOM 97 CB PHE A 7 -7.777 -8.586 -0.383 1.00 0.00 C ATOM 98 CG PHE A 7 -7.268 -9.704 0.485 1.00 0.00 C ATOM 99 CD1 PHE A 7 -6.455 -9.442 1.576 1.00 0.00 C ATOM 100 CD2 PHE A 7 -7.613 -11.018 0.212 1.00 0.00 C ATOM 101 CE1 PHE A 7 -5.993 -10.473 2.375 1.00 0.00 C ATOM 102 CE2 PHE A 7 -7.154 -12.050 1.008 1.00 0.00 C ATOM 103 CZ PHE A 7 -6.342 -11.778 2.091 1.00 0.00 C ATOM 0 H PHE A 7 -10.182 -6.439 -0.668 1.00 0.00 H new ATOM 0 HA PHE A 7 -9.295 -8.371 1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.155 -9.002 -1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.948 -7.927 -0.640 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.179 -8.423 1.805 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -8.248 -11.238 -0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.359 -10.256 3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -7.430 -13.069 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.981 -12.583 2.714 1.00 0.00 H new ATOM 113 N SER A 8 -8.339 -6.258 2.116 1.00 0.00 N ATOM 114 CA SER A 8 -7.859 -5.007 2.675 1.00 0.00 C ATOM 115 C SER A 8 -6.719 -5.234 3.665 1.00 0.00 C ATOM 116 O SER A 8 -6.708 -6.222 4.407 1.00 0.00 O ATOM 117 CB SER A 8 -9.012 -4.262 3.348 1.00 0.00 C ATOM 118 OG SER A 8 -8.636 -2.956 3.722 1.00 0.00 O ATOM 0 H SER A 8 -8.692 -6.929 2.799 1.00 0.00 H new ATOM 0 HA SER A 8 -7.467 -4.400 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.863 -4.216 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.338 -4.814 4.229 1.00 0.00 H new ATOM 0 HG SER A 8 -9.115 -2.306 3.166 1.00 0.00 H new ATOM 124 N TYR A 9 -5.751 -4.323 3.658 1.00 0.00 N ATOM 125 CA TYR A 9 -4.660 -4.356 4.617 1.00 0.00 C ATOM 126 C TYR A 9 -4.597 -3.052 5.389 1.00 0.00 C ATOM 127 O TYR A 9 -5.080 -2.021 4.926 1.00 0.00 O ATOM 128 CB TYR A 9 -3.300 -4.569 3.941 1.00 0.00 C ATOM 129 CG TYR A 9 -3.188 -5.812 3.094 1.00 0.00 C ATOM 130 CD1 TYR A 9 -3.693 -7.030 3.523 1.00 0.00 C ATOM 131 CD2 TYR A 9 -2.567 -5.758 1.860 1.00 0.00 C ATOM 132 CE1 TYR A 9 -3.579 -8.161 2.741 1.00 0.00 C ATOM 133 CE2 TYR A 9 -2.450 -6.881 1.070 1.00 0.00 C ATOM 134 CZ TYR A 9 -2.956 -8.080 1.516 1.00 0.00 C ATOM 135 OH TYR A 9 -2.846 -9.202 0.728 1.00 0.00 O ATOM 0 H TYR A 9 -5.703 -3.550 2.994 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.860 -5.194 5.284 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.084 -3.703 3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.531 -4.605 4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.183 -7.094 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.166 -4.819 1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.976 -9.104 3.088 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.964 -6.820 0.107 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.034 -9.999 1.266 1.00 0.00 H new ATOM 145 N GLN A 10 -3.990 -3.107 6.556 1.00 0.00 N ATOM 146 CA GLN A 10 -3.715 -1.912 7.329 1.00 0.00 C ATOM 147 C GLN A 10 -2.225 -1.634 7.300 1.00 0.00 C ATOM 148 O GLN A 10 -1.416 -2.541 7.449 1.00 0.00 O ATOM 149 CB GLN A 10 -4.187 -2.079 8.770 1.00 0.00 C ATOM 150 CG GLN A 10 -3.709 -0.973 9.693 1.00 0.00 C ATOM 151 CD GLN A 10 -4.412 -0.985 11.032 1.00 0.00 C ATOM 152 OE1 GLN A 10 -3.959 -1.630 11.979 1.00 0.00 O ATOM 153 NE2 GLN A 10 -5.526 -0.279 11.116 1.00 0.00 N ATOM 0 H GLN A 10 -3.675 -3.973 6.993 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.256 -1.073 6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.276 -2.110 8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.835 -3.038 9.151 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.635 -1.075 9.850 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.870 -0.009 9.211 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.863 0.240 10.305 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.048 -0.253 11.992 1.00 0.00 H new ATOM 162 N ALA A 11 -1.869 -0.391 7.099 1.00 0.00 N ATOM 163 CA ALA A 11 -0.477 0.000 7.031 1.00 0.00 C ATOM 164 C ALA A 11 0.177 -0.079 8.401 1.00 0.00 C ATOM 165 O ALA A 11 -0.279 0.545 9.360 1.00 0.00 O ATOM 166 CB ALA A 11 -0.375 1.406 6.489 1.00 0.00 C ATOM 0 H ALA A 11 -2.529 0.378 6.978 1.00 0.00 H new ATOM 0 HA ALA A 11 0.046 -0.687 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.673 1.701 6.438 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.812 1.444 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.912 2.089 7.147 1.00 0.00 H new ATOM 172 N LEU A 12 1.250 -0.854 8.474 1.00 0.00 N ATOM 173 CA LEU A 12 2.014 -1.020 9.700 1.00 0.00 C ATOM 174 C LEU A 12 2.649 0.298 10.104 1.00 0.00 C ATOM 175 O LEU A 12 2.694 0.642 11.283 1.00 0.00 O ATOM 176 CB LEU A 12 3.101 -2.080 9.502 1.00 0.00 C ATOM 177 CG LEU A 12 2.611 -3.525 9.499 1.00 0.00 C ATOM 178 CD1 LEU A 12 3.282 -4.307 8.390 1.00 0.00 C ATOM 179 CD2 LEU A 12 2.885 -4.179 10.844 1.00 0.00 C ATOM 0 H LEU A 12 1.615 -1.385 7.683 1.00 0.00 H new ATOM 0 HA LEU A 12 1.339 -1.345 10.491 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.608 -1.884 8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.843 -1.967 10.292 1.00 0.00 H new ATOM 0 HG LEU A 12 1.535 -3.525 9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.922 -5.336 8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.046 -3.850 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.362 -4.299 8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.530 -5.209 10.827 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.957 -4.168 11.042 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.365 -3.629 11.629 1.00 0.00 H new ATOM 191 N TYR A 13 3.140 1.023 9.111 1.00 0.00 N ATOM 192 CA TYR A 13 3.760 2.315 9.336 1.00 0.00 C ATOM 193 C TYR A 13 3.767 3.129 8.052 1.00 0.00 C ATOM 194 O TYR A 13 3.348 2.645 7.001 1.00 0.00 O ATOM 195 CB TYR A 13 5.177 2.163 9.910 1.00 0.00 C ATOM 196 CG TYR A 13 6.108 1.251 9.139 1.00 0.00 C ATOM 197 CD1 TYR A 13 6.023 -0.128 9.278 1.00 0.00 C ATOM 198 CD2 TYR A 13 7.095 1.768 8.309 1.00 0.00 C ATOM 199 CE1 TYR A 13 6.892 -0.967 8.613 1.00 0.00 C ATOM 200 CE2 TYR A 13 7.966 0.933 7.633 1.00 0.00 C ATOM 201 CZ TYR A 13 7.861 -0.434 7.793 1.00 0.00 C ATOM 202 OH TYR A 13 8.733 -1.272 7.134 1.00 0.00 O ATOM 0 H TYR A 13 3.119 0.733 8.133 1.00 0.00 H new ATOM 0 HA TYR A 13 3.169 2.853 10.077 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.633 3.151 9.967 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.097 1.789 10.931 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.263 -0.551 9.918 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.183 2.838 8.190 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.813 -2.037 8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.723 1.348 6.984 1.00 0.00 H new ATOM 0 HH TYR A 13 8.644 -1.142 6.167 1.00 0.00 H new ATOM 212 N SER A 14 4.233 4.363 8.149 1.00 0.00 N ATOM 213 CA SER A 14 4.166 5.295 7.035 1.00 0.00 C ATOM 214 C SER A 14 5.243 5.011 5.990 1.00 0.00 C ATOM 215 O SER A 14 6.377 4.658 6.323 1.00 0.00 O ATOM 216 CB SER A 14 4.295 6.726 7.554 1.00 0.00 C ATOM 217 OG SER A 14 3.302 6.997 8.531 1.00 0.00 O ATOM 0 H SER A 14 4.664 4.744 8.991 1.00 0.00 H new ATOM 0 HA SER A 14 3.199 5.168 6.547 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.285 6.874 7.984 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.199 7.428 6.726 1.00 0.00 H new ATOM 0 HG SER A 14 3.402 7.917 8.853 1.00 0.00 H new ATOM 223 N TYR A 15 4.870 5.162 4.727 1.00 0.00 N ATOM 224 CA TYR A 15 5.792 4.996 3.615 1.00 0.00 C ATOM 225 C TYR A 15 5.543 6.065 2.567 1.00 0.00 C ATOM 226 O TYR A 15 4.401 6.321 2.181 1.00 0.00 O ATOM 227 CB TYR A 15 5.636 3.616 2.975 1.00 0.00 C ATOM 228 CG TYR A 15 6.612 3.343 1.852 1.00 0.00 C ATOM 229 CD1 TYR A 15 7.931 2.990 2.111 1.00 0.00 C ATOM 230 CD2 TYR A 15 6.205 3.431 0.528 1.00 0.00 C ATOM 231 CE1 TYR A 15 8.814 2.734 1.079 1.00 0.00 C ATOM 232 CE2 TYR A 15 7.080 3.172 -0.507 1.00 0.00 C ATOM 233 CZ TYR A 15 8.383 2.826 -0.227 1.00 0.00 C ATOM 234 OH TYR A 15 9.256 2.563 -1.258 1.00 0.00 O ATOM 0 H TYR A 15 3.920 5.403 4.446 1.00 0.00 H new ATOM 0 HA TYR A 15 6.806 5.091 4.003 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.761 2.854 3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.620 3.518 2.592 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.271 2.915 3.133 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.185 3.707 0.304 1.00 0.00 H new ATOM 0 HE1 TYR A 15 9.837 2.463 1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.745 3.240 -1.531 1.00 0.00 H new ATOM 0 HH TYR A 15 8.752 2.436 -2.089 1.00 0.00 H new ATOM 244 N ILE A 16 6.615 6.675 2.111 1.00 0.00 N ATOM 245 CA ILE A 16 6.539 7.670 1.064 1.00 0.00 C ATOM 246 C ILE A 16 6.894 7.021 -0.265 1.00 0.00 C ATOM 247 O ILE A 16 8.023 6.566 -0.458 1.00 0.00 O ATOM 248 CB ILE A 16 7.486 8.854 1.347 1.00 0.00 C ATOM 249 CG1 ILE A 16 7.062 9.582 2.627 1.00 0.00 C ATOM 250 CG2 ILE A 16 7.520 9.816 0.165 1.00 0.00 C ATOM 251 CD1 ILE A 16 5.643 10.114 2.590 1.00 0.00 C ATOM 0 H ILE A 16 7.559 6.497 2.453 1.00 0.00 H new ATOM 0 HA ILE A 16 5.523 8.062 1.026 1.00 0.00 H new ATOM 0 HB ILE A 16 8.493 8.462 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.162 8.900 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.746 10.412 2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.194 10.643 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.872 9.290 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.518 10.204 -0.017 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.418 10.616 3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.541 10.822 1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.948 9.287 2.444 1.00 0.00 H new ATOM 263 N PRO A 17 5.918 6.942 -1.176 1.00 0.00 N ATOM 264 CA PRO A 17 6.084 6.265 -2.466 1.00 0.00 C ATOM 265 C PRO A 17 7.258 6.804 -3.271 1.00 0.00 C ATOM 266 O PRO A 17 7.571 7.996 -3.221 1.00 0.00 O ATOM 267 CB PRO A 17 4.771 6.563 -3.189 1.00 0.00 C ATOM 268 CG PRO A 17 3.789 6.822 -2.104 1.00 0.00 C ATOM 269 CD PRO A 17 4.564 7.498 -1.014 1.00 0.00 C ATOM 0 HA PRO A 17 6.295 5.203 -2.338 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.869 7.426 -3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.462 5.722 -3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.974 7.454 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.342 5.893 -1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.557 8.582 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.152 7.277 -0.029 1.00 0.00 H new ATOM 277 N GLN A 18 7.901 5.920 -4.019 1.00 0.00 N ATOM 278 CA GLN A 18 9.041 6.296 -4.839 1.00 0.00 C ATOM 279 C GLN A 18 8.564 6.644 -6.238 1.00 0.00 C ATOM 280 O GLN A 18 9.334 7.089 -7.088 1.00 0.00 O ATOM 281 CB GLN A 18 10.064 5.159 -4.890 1.00 0.00 C ATOM 282 CG GLN A 18 10.508 4.656 -3.519 1.00 0.00 C ATOM 283 CD GLN A 18 11.424 5.613 -2.765 1.00 0.00 C ATOM 284 OE1 GLN A 18 12.259 5.183 -1.967 1.00 0.00 O ATOM 285 NE2 GLN A 18 11.286 6.909 -3.008 1.00 0.00 N ATOM 0 H GLN A 18 7.651 4.933 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 18 9.526 7.167 -4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.638 4.326 -5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.941 5.498 -5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.623 4.464 -2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.022 3.703 -3.644 1.00 0.00 H new ATOM 0 HE21 GLN A 18 10.585 7.231 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.881 7.584 -2.528 1.00 0.00 H new ATOM 294 N ASN A 19 7.279 6.429 -6.447 1.00 0.00 N ATOM 295 CA ASN A 19 6.620 6.711 -7.708 1.00 0.00 C ATOM 296 C ASN A 19 5.325 7.464 -7.448 1.00 0.00 C ATOM 297 O ASN A 19 4.752 7.369 -6.361 1.00 0.00 O ATOM 298 CB ASN A 19 6.295 5.400 -8.427 1.00 0.00 C ATOM 299 CG ASN A 19 7.523 4.606 -8.809 1.00 0.00 C ATOM 300 OD1 ASN A 19 8.075 4.776 -9.895 1.00 0.00 O ATOM 301 ND2 ASN A 19 7.956 3.727 -7.917 1.00 0.00 N ATOM 0 H ASN A 19 6.655 6.048 -5.736 1.00 0.00 H new ATOM 0 HA ASN A 19 7.283 7.315 -8.328 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.661 4.789 -7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.719 5.620 -9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.778 3.158 -8.119 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.467 3.619 -7.028 1.00 0.00 H new ATOM 308 N ASP A 20 4.857 8.207 -8.442 1.00 0.00 N ATOM 309 CA ASP A 20 3.589 8.926 -8.329 1.00 0.00 C ATOM 310 C ASP A 20 2.428 7.973 -8.604 1.00 0.00 C ATOM 311 O ASP A 20 1.262 8.288 -8.373 1.00 0.00 O ATOM 312 CB ASP A 20 3.563 10.110 -9.301 1.00 0.00 C ATOM 313 CG ASP A 20 2.263 10.890 -9.251 1.00 0.00 C ATOM 314 OD1 ASP A 20 2.015 11.584 -8.241 1.00 0.00 O ATOM 315 OD2 ASP A 20 1.491 10.827 -10.231 1.00 0.00 O ATOM 0 H ASP A 20 5.333 8.329 -9.336 1.00 0.00 H new ATOM 0 HA ASP A 20 3.487 9.316 -7.316 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.391 10.780 -9.071 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.722 9.744 -10.315 1.00 0.00 H new ATOM 320 N ASP A 21 2.774 6.787 -9.088 1.00 0.00 N ATOM 321 CA ASP A 21 1.798 5.749 -9.388 1.00 0.00 C ATOM 322 C ASP A 21 1.422 4.984 -8.126 1.00 0.00 C ATOM 323 O ASP A 21 0.468 4.201 -8.119 1.00 0.00 O ATOM 324 CB ASP A 21 2.379 4.771 -10.406 1.00 0.00 C ATOM 325 CG ASP A 21 2.886 5.456 -11.656 1.00 0.00 C ATOM 326 OD1 ASP A 21 4.040 5.934 -11.650 1.00 0.00 O ATOM 327 OD2 ASP A 21 2.139 5.511 -12.654 1.00 0.00 O ATOM 0 H ASP A 21 3.738 6.518 -9.283 1.00 0.00 H new ATOM 0 HA ASP A 21 0.907 6.226 -9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.196 4.217 -9.945 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.615 4.043 -10.681 1.00 0.00 H new ATOM 332 N GLU A 22 2.168 5.225 -7.060 1.00 0.00 N ATOM 333 CA GLU A 22 2.010 4.467 -5.829 1.00 0.00 C ATOM 334 C GLU A 22 1.057 5.152 -4.860 1.00 0.00 C ATOM 335 O GLU A 22 0.706 6.323 -5.021 1.00 0.00 O ATOM 336 CB GLU A 22 3.362 4.256 -5.147 1.00 0.00 C ATOM 337 CG GLU A 22 4.255 3.244 -5.845 1.00 0.00 C ATOM 338 CD GLU A 22 5.624 3.136 -5.198 1.00 0.00 C ATOM 339 OE1 GLU A 22 6.493 3.980 -5.493 1.00 0.00 O ATOM 340 OE2 GLU A 22 5.836 2.210 -4.393 1.00 0.00 O ATOM 0 H GLU A 22 2.892 5.943 -7.022 1.00 0.00 H new ATOM 0 HA GLU A 22 1.585 3.501 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.884 5.211 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.193 3.929 -4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.772 2.267 -5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.372 3.527 -6.891 1.00 0.00 H new ATOM 347 N LEU A 23 0.642 4.390 -3.860 1.00 0.00 N ATOM 348 CA LEU A 23 -0.288 4.857 -2.849 1.00 0.00 C ATOM 349 C LEU A 23 0.484 5.274 -1.606 1.00 0.00 C ATOM 350 O LEU A 23 1.442 4.605 -1.211 1.00 0.00 O ATOM 351 CB LEU A 23 -1.291 3.737 -2.511 1.00 0.00 C ATOM 352 CG LEU A 23 -2.651 4.190 -1.952 1.00 0.00 C ATOM 353 CD1 LEU A 23 -2.533 4.663 -0.514 1.00 0.00 C ATOM 354 CD2 LEU A 23 -3.234 5.289 -2.821 1.00 0.00 C ATOM 0 H LEU A 23 0.944 3.425 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.841 5.717 -3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.469 3.152 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.827 3.069 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.321 3.330 -1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.513 4.975 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.159 3.849 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.842 5.505 -0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.196 5.601 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.553 6.140 -2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.372 4.916 -3.836 1.00 0.00 H new ATOM 366 N GLU A 24 0.067 6.369 -0.995 1.00 0.00 N ATOM 367 CA GLU A 24 0.734 6.877 0.188 1.00 0.00 C ATOM 368 C GLU A 24 0.350 6.072 1.413 1.00 0.00 C ATOM 369 O GLU A 24 -0.798 6.104 1.856 1.00 0.00 O ATOM 370 CB GLU A 24 0.390 8.342 0.412 1.00 0.00 C ATOM 371 CG GLU A 24 1.528 9.272 0.059 1.00 0.00 C ATOM 372 CD GLU A 24 1.200 10.721 0.348 1.00 0.00 C ATOM 373 OE1 GLU A 24 1.271 11.131 1.525 1.00 0.00 O ATOM 374 OE2 GLU A 24 0.864 11.459 -0.601 1.00 0.00 O ATOM 0 H GLU A 24 -0.733 6.924 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 24 1.808 6.784 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.484 8.601 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.116 8.491 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.416 8.984 0.621 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.770 9.161 -0.998 1.00 0.00 H new ATOM 381 N LEU A 25 1.317 5.361 1.964 1.00 0.00 N ATOM 382 CA LEU A 25 1.065 4.532 3.124 1.00 0.00 C ATOM 383 C LEU A 25 1.370 5.321 4.377 1.00 0.00 C ATOM 384 O LEU A 25 2.381 6.014 4.451 1.00 0.00 O ATOM 385 CB LEU A 25 1.906 3.261 3.080 1.00 0.00 C ATOM 386 CG LEU A 25 1.746 2.425 1.808 1.00 0.00 C ATOM 387 CD1 LEU A 25 2.734 1.271 1.793 1.00 0.00 C ATOM 388 CD2 LEU A 25 0.323 1.902 1.689 1.00 0.00 C ATOM 0 H LEU A 25 2.280 5.342 1.627 1.00 0.00 H new ATOM 0 HA LEU A 25 0.016 4.237 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.956 3.534 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.647 2.642 3.939 1.00 0.00 H new ATOM 0 HG LEU A 25 1.954 3.067 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.602 0.691 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.751 1.662 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.559 0.631 2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.228 1.310 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.091 1.279 2.553 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.371 2.742 1.650 1.00 0.00 H new ATOM 400 N ARG A 26 0.489 5.242 5.346 1.00 0.00 N ATOM 401 CA ARG A 26 0.657 5.978 6.583 1.00 0.00 C ATOM 402 C ARG A 26 0.327 5.079 7.754 1.00 0.00 C ATOM 403 O ARG A 26 -0.566 4.243 7.663 1.00 0.00 O ATOM 404 CB ARG A 26 -0.234 7.220 6.589 1.00 0.00 C ATOM 405 CG ARG A 26 -0.023 8.107 5.375 1.00 0.00 C ATOM 406 CD ARG A 26 -0.759 9.424 5.496 1.00 0.00 C ATOM 407 NE ARG A 26 -0.364 10.350 4.437 1.00 0.00 N ATOM 408 CZ ARG A 26 -0.459 11.676 4.525 1.00 0.00 C ATOM 409 NH1 ARG A 26 -0.977 12.238 5.611 1.00 0.00 N ATOM 410 NH2 ARG A 26 -0.033 12.434 3.525 1.00 0.00 N ATOM 0 H ARG A 26 -0.357 4.673 5.304 1.00 0.00 H new ATOM 0 HA ARG A 26 1.693 6.305 6.668 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.278 6.911 6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.037 7.797 7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.042 8.298 5.247 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.362 7.584 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.834 9.249 5.447 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.553 9.871 6.469 1.00 0.00 H new ATOM 0 HE ARG A 26 0.009 9.955 3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.304 11.654 6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.048 13.253 5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.366 12.002 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.104 13.450 3.589 1.00 0.00 H new ATOM 424 N ASP A 27 1.075 5.247 8.830 1.00 0.00 N ATOM 425 CA ASP A 27 0.943 4.415 10.027 1.00 0.00 C ATOM 426 C ASP A 27 -0.511 4.313 10.484 1.00 0.00 C ATOM 427 O ASP A 27 -1.058 5.253 11.067 1.00 0.00 O ATOM 428 CB ASP A 27 1.807 4.984 11.158 1.00 0.00 C ATOM 429 CG ASP A 27 1.835 4.098 12.390 1.00 0.00 C ATOM 430 OD1 ASP A 27 0.847 4.088 13.152 1.00 0.00 O ATOM 431 OD2 ASP A 27 2.854 3.414 12.609 1.00 0.00 O ATOM 0 H ASP A 27 1.795 5.965 8.905 1.00 0.00 H new ATOM 0 HA ASP A 27 1.286 3.411 9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.825 5.123 10.795 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.430 5.969 11.435 1.00 0.00 H new ATOM 436 N GLY A 28 -1.133 3.174 10.193 1.00 0.00 N ATOM 437 CA GLY A 28 -2.488 2.923 10.642 1.00 0.00 C ATOM 438 C GLY A 28 -3.544 3.133 9.571 1.00 0.00 C ATOM 439 O GLY A 28 -4.723 2.862 9.804 1.00 0.00 O ATOM 0 H GLY A 28 -0.718 2.417 9.650 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.555 1.898 11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.707 3.577 11.486 1.00 0.00 H new ATOM 443 N ASP A 29 -3.139 3.620 8.405 1.00 0.00 N ATOM 444 CA ASP A 29 -4.078 3.845 7.304 1.00 0.00 C ATOM 445 C ASP A 29 -4.417 2.518 6.635 1.00 0.00 C ATOM 446 O ASP A 29 -3.593 1.608 6.607 1.00 0.00 O ATOM 447 CB ASP A 29 -3.491 4.822 6.278 1.00 0.00 C ATOM 448 CG ASP A 29 -4.556 5.433 5.382 1.00 0.00 C ATOM 449 OD1 ASP A 29 -5.342 6.264 5.886 1.00 0.00 O ATOM 450 OD2 ASP A 29 -4.614 5.091 4.182 1.00 0.00 O ATOM 0 H ASP A 29 -2.172 3.867 8.194 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.989 4.285 7.709 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.960 5.618 6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.758 4.301 5.662 1.00 0.00 H new ATOM 455 N ILE A 30 -5.632 2.392 6.127 1.00 0.00 N ATOM 456 CA ILE A 30 -6.066 1.144 5.520 1.00 0.00 C ATOM 457 C ILE A 30 -6.077 1.251 4.004 1.00 0.00 C ATOM 458 O ILE A 30 -6.509 2.253 3.441 1.00 0.00 O ATOM 459 CB ILE A 30 -7.464 0.712 6.031 1.00 0.00 C ATOM 460 CG1 ILE A 30 -7.390 0.315 7.501 1.00 0.00 C ATOM 461 CG2 ILE A 30 -8.027 -0.445 5.223 1.00 0.00 C ATOM 462 CD1 ILE A 30 -7.437 1.481 8.459 1.00 0.00 C ATOM 0 H ILE A 30 -6.332 3.134 6.122 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.347 0.379 5.815 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.131 1.566 5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.216 -0.359 7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.469 -0.243 7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.008 -0.718 5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.121 -0.148 4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.356 -1.301 5.297 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.379 1.113 9.483 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.595 2.146 8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -8.370 2.027 8.322 1.00 0.00 H new ATOM 474 N VAL A 31 -5.582 0.219 3.351 1.00 0.00 N ATOM 475 CA VAL A 31 -5.570 0.168 1.898 1.00 0.00 C ATOM 476 C VAL A 31 -6.153 -1.142 1.399 1.00 0.00 C ATOM 477 O VAL A 31 -5.673 -2.223 1.750 1.00 0.00 O ATOM 478 CB VAL A 31 -4.149 0.359 1.324 1.00 0.00 C ATOM 479 CG1 VAL A 31 -4.107 0.006 -0.157 1.00 0.00 C ATOM 480 CG2 VAL A 31 -3.690 1.789 1.522 1.00 0.00 C ATOM 0 H VAL A 31 -5.180 -0.602 3.804 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.189 0.994 1.547 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.477 -0.312 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.095 0.149 -0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.401 -1.035 -0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.794 0.651 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.687 1.909 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.374 2.465 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.678 2.023 2.586 1.00 0.00 H new ATOM 490 N ASP A 32 -7.188 -1.039 0.583 1.00 0.00 N ATOM 491 CA ASP A 32 -7.826 -2.208 0.004 1.00 0.00 C ATOM 492 C ASP A 32 -7.107 -2.594 -1.280 1.00 0.00 C ATOM 493 O ASP A 32 -7.110 -1.833 -2.247 1.00 0.00 O ATOM 494 CB ASP A 32 -9.296 -1.922 -0.316 1.00 0.00 C ATOM 495 CG ASP A 32 -10.030 -1.212 0.812 1.00 0.00 C ATOM 496 OD1 ASP A 32 -10.277 -1.838 1.863 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.368 -0.020 0.647 1.00 0.00 O ATOM 0 H ASP A 32 -7.606 -0.151 0.305 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.773 -3.023 0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.352 -1.312 -1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.803 -2.862 -0.535 1.00 0.00 H new ATOM 502 N VAL A 33 -6.499 -3.768 -1.290 1.00 0.00 N ATOM 503 CA VAL A 33 -5.786 -4.248 -2.462 1.00 0.00 C ATOM 504 C VAL A 33 -6.745 -4.923 -3.439 1.00 0.00 C ATOM 505 O VAL A 33 -7.472 -5.852 -3.082 1.00 0.00 O ATOM 506 CB VAL A 33 -4.629 -5.208 -2.083 1.00 0.00 C ATOM 507 CG1 VAL A 33 -5.080 -6.275 -1.101 1.00 0.00 C ATOM 508 CG2 VAL A 33 -4.035 -5.846 -3.323 1.00 0.00 C ATOM 0 H VAL A 33 -6.485 -4.409 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.343 -3.380 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.860 -4.612 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.240 -6.927 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.443 -5.800 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.881 -6.865 -1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.225 -6.516 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.806 -6.412 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.647 -5.069 -3.981 1.00 0.00 H new ATOM 518 N MET A 34 -6.742 -4.444 -4.675 1.00 0.00 N ATOM 519 CA MET A 34 -7.645 -4.955 -5.692 1.00 0.00 C ATOM 520 C MET A 34 -6.890 -5.833 -6.687 1.00 0.00 C ATOM 521 O MET A 34 -7.456 -6.761 -7.261 1.00 0.00 O ATOM 522 CB MET A 34 -8.362 -3.798 -6.404 1.00 0.00 C ATOM 523 CG MET A 34 -7.583 -3.150 -7.542 1.00 0.00 C ATOM 524 SD MET A 34 -7.855 -3.985 -9.120 1.00 0.00 S ATOM 525 CE MET A 34 -6.796 -3.038 -10.206 1.00 0.00 C ATOM 0 H MET A 34 -6.122 -3.701 -4.996 1.00 0.00 H new ATOM 0 HA MET A 34 -8.402 -5.572 -5.208 1.00 0.00 H new ATOM 0 HB2 MET A 34 -9.309 -4.167 -6.798 1.00 0.00 H new ATOM 0 HB3 MET A 34 -8.601 -3.032 -5.667 1.00 0.00 H new ATOM 0 HG2 MET A 34 -7.877 -2.104 -7.631 1.00 0.00 H new ATOM 0 HG3 MET A 34 -6.519 -3.163 -7.305 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.404 -2.532 -10.956 1.00 0.00 H new ATOM 0 HE2 MET A 34 -6.247 -2.298 -9.624 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.091 -3.706 -10.701 1.00 0.00 H new ATOM 535 N GLU A 35 -5.608 -5.547 -6.882 1.00 0.00 N ATOM 536 CA GLU A 35 -4.786 -6.332 -7.791 1.00 0.00 C ATOM 537 C GLU A 35 -3.460 -6.652 -7.134 1.00 0.00 C ATOM 538 O GLU A 35 -2.978 -5.896 -6.295 1.00 0.00 O ATOM 539 CB GLU A 35 -4.564 -5.585 -9.104 1.00 0.00 C ATOM 540 CG GLU A 35 -3.921 -6.433 -10.184 1.00 0.00 C ATOM 541 CD GLU A 35 -3.626 -5.647 -11.445 1.00 0.00 C ATOM 542 OE1 GLU A 35 -2.525 -5.067 -11.546 1.00 0.00 O ATOM 543 OE2 GLU A 35 -4.493 -5.612 -12.342 1.00 0.00 O ATOM 0 H GLU A 35 -5.118 -4.779 -6.424 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.306 -7.263 -8.017 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.522 -5.214 -9.468 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.936 -4.714 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.994 -6.860 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.580 -7.267 -10.426 1.00 0.00 H new ATOM 550 N LYS A 36 -2.876 -7.772 -7.505 1.00 0.00 N ATOM 551 CA LYS A 36 -1.662 -8.229 -6.862 1.00 0.00 C ATOM 552 C LYS A 36 -0.615 -8.635 -7.881 1.00 0.00 C ATOM 553 O LYS A 36 -0.829 -9.546 -8.682 1.00 0.00 O ATOM 554 CB LYS A 36 -1.971 -9.404 -5.932 1.00 0.00 C ATOM 555 CG LYS A 36 -3.062 -9.102 -4.920 1.00 0.00 C ATOM 556 CD LYS A 36 -3.008 -10.061 -3.745 1.00 0.00 C ATOM 557 CE LYS A 36 -3.969 -9.651 -2.644 1.00 0.00 C ATOM 558 NZ LYS A 36 -3.906 -10.576 -1.484 1.00 0.00 N ATOM 0 H LYS A 36 -3.221 -8.381 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.260 -7.401 -6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.270 -10.264 -6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.062 -9.687 -5.401 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.954 -8.078 -4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.037 -9.170 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.251 -11.068 -4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.993 -10.095 -3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.734 -8.639 -2.315 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.985 -9.630 -3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.870 -10.797 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.425 -11.454 -1.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.378 -10.126 -0.709 1.00 0.00 H new ATOM 572 N CYS A 37 0.512 -7.943 -7.859 1.00 0.00 N ATOM 573 CA CYS A 37 1.643 -8.321 -8.679 1.00 0.00 C ATOM 574 C CYS A 37 2.321 -9.524 -8.051 1.00 0.00 C ATOM 575 O CYS A 37 2.470 -9.589 -6.827 1.00 0.00 O ATOM 576 CB CYS A 37 2.642 -7.173 -8.779 1.00 0.00 C ATOM 577 SG CYS A 37 1.891 -5.567 -9.144 1.00 0.00 S ATOM 0 H CYS A 37 0.665 -7.117 -7.281 1.00 0.00 H new ATOM 0 HA CYS A 37 1.292 -8.563 -9.682 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.190 -7.100 -7.840 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.370 -7.406 -9.556 1.00 0.00 H new ATOM 0 HG CYS A 37 1.639 -4.943 -8.032 1.00 0.00 H new ATOM 583 N ASP A 38 2.743 -10.465 -8.880 1.00 0.00 N ATOM 584 CA ASP A 38 3.360 -11.691 -8.390 1.00 0.00 C ATOM 585 C ASP A 38 4.751 -11.414 -7.828 1.00 0.00 C ATOM 586 O ASP A 38 5.389 -12.301 -7.256 1.00 0.00 O ATOM 587 CB ASP A 38 3.431 -12.740 -9.506 1.00 0.00 C ATOM 588 CG ASP A 38 4.246 -12.279 -10.698 1.00 0.00 C ATOM 589 OD1 ASP A 38 3.769 -11.402 -11.450 1.00 0.00 O ATOM 590 OD2 ASP A 38 5.358 -12.806 -10.904 1.00 0.00 O ATOM 0 H ASP A 38 2.670 -10.405 -9.896 1.00 0.00 H new ATOM 0 HA ASP A 38 2.740 -12.083 -7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.865 -13.657 -9.108 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.420 -12.982 -9.835 1.00 0.00 H new ATOM 595 N ASP A 39 5.214 -10.179 -7.982 1.00 0.00 N ATOM 596 CA ASP A 39 6.502 -9.781 -7.438 1.00 0.00 C ATOM 597 C ASP A 39 6.366 -9.354 -5.973 1.00 0.00 C ATOM 598 O ASP A 39 7.364 -9.156 -5.282 1.00 0.00 O ATOM 599 CB ASP A 39 7.103 -8.647 -8.271 1.00 0.00 C ATOM 600 CG ASP A 39 8.577 -8.435 -7.996 1.00 0.00 C ATOM 601 OD1 ASP A 39 9.377 -9.330 -8.330 1.00 0.00 O ATOM 602 OD2 ASP A 39 8.944 -7.373 -7.451 1.00 0.00 O ATOM 0 H ASP A 39 4.717 -9.439 -8.478 1.00 0.00 H new ATOM 0 HA ASP A 39 7.172 -10.640 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.963 -8.866 -9.330 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.563 -7.724 -8.063 1.00 0.00 H new ATOM 607 N GLY A 40 5.128 -9.219 -5.494 1.00 0.00 N ATOM 608 CA GLY A 40 4.916 -9.016 -4.071 1.00 0.00 C ATOM 609 C GLY A 40 4.358 -7.651 -3.733 1.00 0.00 C ATOM 610 O GLY A 40 3.882 -7.429 -2.620 1.00 0.00 O ATOM 0 H GLY A 40 4.279 -9.246 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.233 -9.781 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.862 -9.153 -3.548 1.00 0.00 H new ATOM 614 N TRP A 41 4.430 -6.727 -4.673 1.00 0.00 N ATOM 615 CA TRP A 41 3.870 -5.403 -4.464 1.00 0.00 C ATOM 616 C TRP A 41 2.471 -5.361 -5.062 1.00 0.00 C ATOM 617 O TRP A 41 2.244 -5.874 -6.151 1.00 0.00 O ATOM 618 CB TRP A 41 4.770 -4.338 -5.087 1.00 0.00 C ATOM 619 CG TRP A 41 6.233 -4.660 -4.976 1.00 0.00 C ATOM 620 CD1 TRP A 41 7.080 -4.912 -6.014 1.00 0.00 C ATOM 621 CD2 TRP A 41 7.020 -4.794 -3.776 1.00 0.00 C ATOM 622 NE1 TRP A 41 8.339 -5.183 -5.543 1.00 0.00 N ATOM 623 CE2 TRP A 41 8.330 -5.118 -4.179 1.00 0.00 C ATOM 624 CE3 TRP A 41 6.753 -4.670 -2.402 1.00 0.00 C ATOM 625 CZ2 TRP A 41 9.364 -5.318 -3.267 1.00 0.00 C ATOM 626 CZ3 TRP A 41 7.783 -4.870 -1.502 1.00 0.00 C ATOM 627 CH2 TRP A 41 9.074 -5.191 -1.938 1.00 0.00 C ATOM 0 H TRP A 41 4.868 -6.866 -5.584 1.00 0.00 H new ATOM 0 HA TRP A 41 3.807 -5.192 -3.396 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.509 -4.221 -6.139 1.00 0.00 H new ATOM 0 HB3 TRP A 41 4.578 -3.381 -4.603 1.00 0.00 H new ATOM 0 HD1 TRP A 41 6.800 -4.900 -7.057 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.152 -5.399 -6.119 1.00 0.00 H new ATOM 0 HE3 TRP A 41 5.761 -4.423 -2.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.361 -5.565 -3.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.588 -4.777 -0.444 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.857 -5.341 -1.209 1.00 0.00 H new ATOM 638 N PHE A 42 1.533 -4.765 -4.353 1.00 0.00 N ATOM 639 CA PHE A 42 0.130 -4.913 -4.690 1.00 0.00 C ATOM 640 C PHE A 42 -0.487 -3.596 -5.148 1.00 0.00 C ATOM 641 O PHE A 42 0.104 -2.538 -4.990 1.00 0.00 O ATOM 642 CB PHE A 42 -0.620 -5.458 -3.479 1.00 0.00 C ATOM 643 CG PHE A 42 -0.053 -6.744 -2.943 1.00 0.00 C ATOM 644 CD1 PHE A 42 0.364 -7.754 -3.801 1.00 0.00 C ATOM 645 CD2 PHE A 42 0.055 -6.946 -1.578 1.00 0.00 C ATOM 646 CE1 PHE A 42 0.879 -8.935 -3.304 1.00 0.00 C ATOM 647 CE2 PHE A 42 0.569 -8.126 -1.076 1.00 0.00 C ATOM 648 CZ PHE A 42 0.982 -9.121 -1.939 1.00 0.00 C ATOM 0 H PHE A 42 1.716 -4.175 -3.541 1.00 0.00 H new ATOM 0 HA PHE A 42 0.049 -5.611 -5.523 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.607 -4.708 -2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.664 -5.617 -3.751 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.284 -7.614 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.266 -6.172 -0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.201 -9.712 -3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.648 -8.270 -0.009 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.385 -10.043 -1.548 1.00 0.00 H new ATOM 658 N VAL A 43 -1.668 -3.681 -5.734 1.00 0.00 N ATOM 659 CA VAL A 43 -2.410 -2.508 -6.168 1.00 0.00 C ATOM 660 C VAL A 43 -3.636 -2.315 -5.295 1.00 0.00 C ATOM 661 O VAL A 43 -4.430 -3.234 -5.121 1.00 0.00 O ATOM 662 CB VAL A 43 -2.825 -2.625 -7.652 1.00 0.00 C ATOM 663 CG1 VAL A 43 -4.116 -1.870 -7.940 1.00 0.00 C ATOM 664 CG2 VAL A 43 -1.722 -2.079 -8.519 1.00 0.00 C ATOM 0 H VAL A 43 -2.141 -4.565 -5.923 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.759 -1.640 -6.069 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.998 -3.678 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.373 -1.977 -8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.920 -2.277 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.980 -0.814 -7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.010 -2.159 -9.567 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.547 -1.032 -8.270 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.809 -2.650 -8.349 1.00 0.00 H new ATOM 674 N GLY A 44 -3.792 -1.116 -4.765 1.00 0.00 N ATOM 675 CA GLY A 44 -4.839 -0.872 -3.800 1.00 0.00 C ATOM 676 C GLY A 44 -5.328 0.559 -3.793 1.00 0.00 C ATOM 677 O GLY A 44 -4.879 1.393 -4.584 1.00 0.00 O ATOM 0 H GLY A 44 -3.212 -0.306 -4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.679 -1.534 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.473 -1.128 -2.806 1.00 0.00 H new ATOM 681 N THR A 45 -6.257 0.828 -2.894 1.00 0.00 N ATOM 682 CA THR A 45 -6.852 2.134 -2.754 1.00 0.00 C ATOM 683 C THR A 45 -6.869 2.528 -1.283 1.00 0.00 C ATOM 684 O THR A 45 -7.128 1.695 -0.416 1.00 0.00 O ATOM 685 CB THR A 45 -8.284 2.126 -3.317 1.00 0.00 C ATOM 686 OG1 THR A 45 -8.251 1.783 -4.709 1.00 0.00 O ATOM 687 CG2 THR A 45 -8.969 3.470 -3.138 1.00 0.00 C ATOM 0 H THR A 45 -6.619 0.137 -2.237 1.00 0.00 H new ATOM 0 HA THR A 45 -6.263 2.860 -3.314 1.00 0.00 H new ATOM 0 HB THR A 45 -8.857 1.384 -2.762 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.164 1.777 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.978 3.422 -3.549 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.021 3.714 -2.077 1.00 0.00 H new ATOM 0 HG23 THR A 45 -8.401 4.240 -3.660 1.00 0.00 H new ATOM 695 N SER A 46 -6.574 3.785 -1.007 1.00 0.00 N ATOM 696 CA SER A 46 -6.551 4.273 0.361 1.00 0.00 C ATOM 697 C SER A 46 -7.972 4.354 0.910 1.00 0.00 C ATOM 698 O SER A 46 -8.855 4.901 0.264 1.00 0.00 O ATOM 699 CB SER A 46 -5.894 5.652 0.416 1.00 0.00 C ATOM 700 OG SER A 46 -5.912 6.180 1.733 1.00 0.00 O ATOM 0 H SER A 46 -6.347 4.487 -1.711 1.00 0.00 H new ATOM 0 HA SER A 46 -5.972 3.580 0.972 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.865 5.581 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.415 6.332 -0.258 1.00 0.00 H new ATOM 0 HG SER A 46 -5.408 5.588 2.330 1.00 0.00 H new ATOM 706 N ARG A 47 -8.184 3.803 2.092 1.00 0.00 N ATOM 707 CA ARG A 47 -9.490 3.834 2.741 1.00 0.00 C ATOM 708 C ARG A 47 -9.828 5.250 3.200 1.00 0.00 C ATOM 709 O ARG A 47 -10.996 5.604 3.369 1.00 0.00 O ATOM 710 CB ARG A 47 -9.489 2.890 3.943 1.00 0.00 C ATOM 711 CG ARG A 47 -10.859 2.647 4.549 1.00 0.00 C ATOM 712 CD ARG A 47 -10.737 2.015 5.923 1.00 0.00 C ATOM 713 NE ARG A 47 -12.026 1.556 6.437 1.00 0.00 N ATOM 714 CZ ARG A 47 -12.373 1.589 7.722 1.00 0.00 C ATOM 715 NH1 ARG A 47 -11.557 2.114 8.625 1.00 0.00 N ATOM 716 NH2 ARG A 47 -13.548 1.108 8.106 1.00 0.00 N ATOM 0 H ARG A 47 -7.462 3.323 2.630 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.244 3.511 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.065 1.933 3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.833 3.299 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -11.400 3.590 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -11.441 1.997 3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.047 1.173 5.873 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.308 2.738 6.617 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.703 1.187 5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.656 2.496 8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.830 2.136 9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.187 0.712 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.813 1.134 9.091 1.00 0.00 H new ATOM 730 N ARG A 48 -8.790 6.052 3.404 1.00 0.00 N ATOM 731 CA ARG A 48 -8.942 7.402 3.925 1.00 0.00 C ATOM 732 C ARG A 48 -9.217 8.415 2.815 1.00 0.00 C ATOM 733 O ARG A 48 -10.172 9.189 2.889 1.00 0.00 O ATOM 734 CB ARG A 48 -7.664 7.785 4.667 1.00 0.00 C ATOM 735 CG ARG A 48 -7.678 9.171 5.268 1.00 0.00 C ATOM 736 CD ARG A 48 -6.345 9.476 5.917 1.00 0.00 C ATOM 737 NE ARG A 48 -6.265 10.850 6.400 1.00 0.00 N ATOM 738 CZ ARG A 48 -5.321 11.287 7.229 1.00 0.00 C ATOM 739 NH1 ARG A 48 -4.390 10.449 7.669 1.00 0.00 N ATOM 740 NH2 ARG A 48 -5.309 12.556 7.616 1.00 0.00 N ATOM 0 H ARG A 48 -7.824 5.785 3.214 1.00 0.00 H new ATOM 0 HA ARG A 48 -9.799 7.418 4.598 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.490 7.060 5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.823 7.710 3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.890 9.908 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.476 9.246 6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.184 8.791 6.749 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.545 9.299 5.198 1.00 0.00 H new ATOM 0 HE ARG A 48 -6.973 11.513 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.400 9.473 7.371 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.665 10.781 8.305 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.025 13.199 7.278 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.584 12.888 8.252 1.00 0.00 H new ATOM 754 N THR A 49 -8.392 8.394 1.780 1.00 0.00 N ATOM 755 CA THR A 49 -8.481 9.393 0.722 1.00 0.00 C ATOM 756 C THR A 49 -8.968 8.782 -0.597 1.00 0.00 C ATOM 757 O THR A 49 -9.162 9.480 -1.591 1.00 0.00 O ATOM 758 CB THR A 49 -7.121 10.124 0.544 1.00 0.00 C ATOM 759 OG1 THR A 49 -7.020 10.727 -0.752 1.00 0.00 O ATOM 760 CG2 THR A 49 -5.952 9.180 0.760 1.00 0.00 C ATOM 0 H THR A 49 -7.656 7.700 1.648 1.00 0.00 H new ATOM 0 HA THR A 49 -9.225 10.131 1.022 1.00 0.00 H new ATOM 0 HB THR A 49 -7.081 10.908 1.300 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.870 10.623 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.016 9.723 0.628 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.995 8.772 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.004 8.366 0.037 1.00 0.00 H new ATOM 768 N LYS A 50 -9.166 7.466 -0.583 1.00 0.00 N ATOM 769 CA LYS A 50 -9.752 6.730 -1.708 1.00 0.00 C ATOM 770 C LYS A 50 -8.970 6.934 -3.003 1.00 0.00 C ATOM 771 O LYS A 50 -9.550 6.975 -4.085 1.00 0.00 O ATOM 772 CB LYS A 50 -11.227 7.108 -1.914 1.00 0.00 C ATOM 773 CG LYS A 50 -12.101 6.972 -0.667 1.00 0.00 C ATOM 774 CD LYS A 50 -11.839 5.685 0.113 1.00 0.00 C ATOM 775 CE LYS A 50 -11.939 4.437 -0.755 1.00 0.00 C ATOM 776 NZ LYS A 50 -13.303 4.233 -1.310 1.00 0.00 N ATOM 0 H LYS A 50 -8.924 6.874 0.212 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.694 5.673 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.278 8.138 -2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.642 6.480 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -11.927 7.827 -0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.150 7.004 -0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.846 5.732 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.554 5.610 0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.225 4.511 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.657 3.565 -0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.316 3.371 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.984 4.134 -0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.565 5.051 -1.897 1.00 0.00 H new ATOM 790 N GLN A 51 -7.653 7.045 -2.893 1.00 0.00 N ATOM 791 CA GLN A 51 -6.803 7.164 -4.068 1.00 0.00 C ATOM 792 C GLN A 51 -6.367 5.783 -4.523 1.00 0.00 C ATOM 793 O GLN A 51 -6.178 4.888 -3.701 1.00 0.00 O ATOM 794 CB GLN A 51 -5.583 8.052 -3.798 1.00 0.00 C ATOM 795 CG GLN A 51 -5.142 8.086 -2.345 1.00 0.00 C ATOM 796 CD GLN A 51 -3.824 8.813 -2.147 1.00 0.00 C ATOM 797 OE1 GLN A 51 -3.056 8.494 -1.240 1.00 0.00 O ATOM 798 NE2 GLN A 51 -3.552 9.796 -2.988 1.00 0.00 N ATOM 0 H GLN A 51 -7.152 7.055 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.381 7.641 -4.860 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.751 7.702 -4.409 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.810 9.068 -4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.913 8.572 -1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.048 7.065 -1.975 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.213 10.032 -3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.681 10.319 -2.897 1.00 0.00 H new ATOM 807 N PHE A 52 -6.219 5.615 -5.823 1.00 0.00 N ATOM 808 CA PHE A 52 -5.940 4.314 -6.406 1.00 0.00 C ATOM 809 C PHE A 52 -4.541 4.265 -7.013 1.00 0.00 C ATOM 810 O PHE A 52 -4.120 5.181 -7.723 1.00 0.00 O ATOM 811 CB PHE A 52 -7.005 3.997 -7.463 1.00 0.00 C ATOM 812 CG PHE A 52 -6.720 2.786 -8.310 1.00 0.00 C ATOM 813 CD1 PHE A 52 -6.686 1.517 -7.754 1.00 0.00 C ATOM 814 CD2 PHE A 52 -6.496 2.923 -9.670 1.00 0.00 C ATOM 815 CE1 PHE A 52 -6.435 0.410 -8.541 1.00 0.00 C ATOM 816 CE2 PHE A 52 -6.246 1.820 -10.462 1.00 0.00 C ATOM 817 CZ PHE A 52 -6.216 0.561 -9.897 1.00 0.00 C ATOM 0 H PHE A 52 -6.288 6.372 -6.503 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.975 3.560 -5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.962 3.854 -6.961 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.115 4.862 -8.117 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.857 1.392 -6.695 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -6.517 3.906 -10.117 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.410 -0.574 -8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.074 1.942 -11.521 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.022 -0.304 -10.513 1.00 0.00 H new ATOM 827 N GLY A 53 -3.823 3.192 -6.717 1.00 0.00 N ATOM 828 CA GLY A 53 -2.511 2.992 -7.292 1.00 0.00 C ATOM 829 C GLY A 53 -1.876 1.710 -6.823 1.00 0.00 C ATOM 830 O GLY A 53 -2.565 0.779 -6.407 1.00 0.00 O ATOM 0 H GLY A 53 -4.129 2.452 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.590 2.980 -8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.868 3.832 -7.028 1.00 0.00 H new ATOM 834 N THR A 54 -0.563 1.673 -6.873 1.00 0.00 N ATOM 835 CA THR A 54 0.193 0.515 -6.444 1.00 0.00 C ATOM 836 C THR A 54 0.862 0.805 -5.107 1.00 0.00 C ATOM 837 O THR A 54 1.252 1.930 -4.837 1.00 0.00 O ATOM 838 CB THR A 54 1.258 0.132 -7.497 1.00 0.00 C ATOM 839 OG1 THR A 54 2.167 -0.849 -6.978 1.00 0.00 O ATOM 840 CG2 THR A 54 2.025 1.363 -7.963 1.00 0.00 C ATOM 0 H THR A 54 0.012 2.444 -7.212 1.00 0.00 H new ATOM 0 HA THR A 54 -0.493 -0.325 -6.331 1.00 0.00 H new ATOM 0 HB THR A 54 0.738 -0.300 -8.352 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.688 -1.448 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.769 1.069 -8.704 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.332 2.077 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.524 1.825 -7.111 1.00 0.00 H new ATOM 848 N PHE A 55 0.972 -0.197 -4.266 1.00 0.00 N ATOM 849 CA PHE A 55 1.604 -0.029 -2.974 1.00 0.00 C ATOM 850 C PHE A 55 2.344 -1.298 -2.587 1.00 0.00 C ATOM 851 O PHE A 55 1.861 -2.412 -2.799 1.00 0.00 O ATOM 852 CB PHE A 55 0.573 0.336 -1.895 1.00 0.00 C ATOM 853 CG PHE A 55 -0.340 -0.796 -1.510 1.00 0.00 C ATOM 854 CD1 PHE A 55 -1.351 -1.209 -2.360 1.00 0.00 C ATOM 855 CD2 PHE A 55 -0.178 -1.450 -0.299 1.00 0.00 C ATOM 856 CE1 PHE A 55 -2.184 -2.256 -2.010 1.00 0.00 C ATOM 857 CE2 PHE A 55 -1.009 -2.496 0.056 1.00 0.00 C ATOM 858 CZ PHE A 55 -2.013 -2.900 -0.800 1.00 0.00 C ATOM 0 H PHE A 55 0.632 -1.140 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 55 2.317 0.792 -3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.100 0.682 -1.006 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.031 1.170 -2.252 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.491 -0.708 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.606 -1.139 0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.968 -2.570 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.872 -2.997 1.003 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.663 -3.717 -0.525 1.00 0.00 H new ATOM 868 N PRO A 56 3.544 -1.142 -2.046 1.00 0.00 N ATOM 869 CA PRO A 56 4.319 -2.259 -1.532 1.00 0.00 C ATOM 870 C PRO A 56 3.614 -2.914 -0.353 1.00 0.00 C ATOM 871 O PRO A 56 3.499 -2.314 0.718 1.00 0.00 O ATOM 872 CB PRO A 56 5.638 -1.621 -1.080 1.00 0.00 C ATOM 873 CG PRO A 56 5.673 -0.279 -1.727 1.00 0.00 C ATOM 874 CD PRO A 56 4.243 0.139 -1.902 1.00 0.00 C ATOM 0 HA PRO A 56 4.461 -3.043 -2.276 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.680 -1.535 0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.492 -2.226 -1.385 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.215 0.437 -1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.186 -0.323 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.879 0.704 -1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.111 0.772 -2.779 1.00 0.00 H new ATOM 882 N GLY A 57 3.146 -4.146 -0.545 1.00 0.00 N ATOM 883 CA GLY A 57 2.479 -4.871 0.530 1.00 0.00 C ATOM 884 C GLY A 57 3.473 -5.392 1.551 1.00 0.00 C ATOM 885 O GLY A 57 3.298 -6.463 2.130 1.00 0.00 O ATOM 0 H GLY A 57 3.216 -4.657 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.761 -4.215 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.915 -5.705 0.112 1.00 0.00 H new ATOM 889 N ASN A 58 4.516 -4.612 1.759 1.00 0.00 N ATOM 890 CA ASN A 58 5.575 -4.931 2.694 1.00 0.00 C ATOM 891 C ASN A 58 5.357 -4.141 3.978 1.00 0.00 C ATOM 892 O ASN A 58 5.897 -4.464 5.035 1.00 0.00 O ATOM 893 CB ASN A 58 6.922 -4.560 2.059 1.00 0.00 C ATOM 894 CG ASN A 58 8.122 -5.004 2.877 1.00 0.00 C ATOM 895 OD1 ASN A 58 9.137 -4.311 2.922 1.00 0.00 O ATOM 896 ND2 ASN A 58 8.033 -6.169 3.503 1.00 0.00 N ATOM 0 H ASN A 58 4.653 -3.725 1.275 1.00 0.00 H new ATOM 0 HA ASN A 58 5.571 -5.995 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.983 -5.008 1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.965 -3.479 1.923 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.823 -6.518 4.045 1.00 0.00 H new ATOM 0 HD22 ASN A 58 7.174 -6.716 3.443 1.00 0.00 H new ATOM 903 N TYR A 59 4.520 -3.115 3.871 1.00 0.00 N ATOM 904 CA TYR A 59 4.295 -2.177 4.961 1.00 0.00 C ATOM 905 C TYR A 59 2.849 -2.226 5.427 1.00 0.00 C ATOM 906 O TYR A 59 2.363 -1.294 6.061 1.00 0.00 O ATOM 907 CB TYR A 59 4.620 -0.761 4.494 1.00 0.00 C ATOM 908 CG TYR A 59 5.956 -0.653 3.797 1.00 0.00 C ATOM 909 CD1 TYR A 59 7.142 -0.764 4.504 1.00 0.00 C ATOM 910 CD2 TYR A 59 6.026 -0.463 2.424 1.00 0.00 C ATOM 911 CE1 TYR A 59 8.365 -0.684 3.867 1.00 0.00 C ATOM 912 CE2 TYR A 59 7.243 -0.386 1.777 1.00 0.00 C ATOM 913 CZ TYR A 59 8.411 -0.497 2.503 1.00 0.00 C ATOM 914 OH TYR A 59 9.626 -0.424 1.861 1.00 0.00 O ATOM 0 H TYR A 59 3.981 -2.912 3.029 1.00 0.00 H new ATOM 0 HA TYR A 59 4.943 -2.456 5.792 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.836 -0.420 3.817 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.612 -0.091 5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.110 -0.916 5.573 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.114 -0.374 1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.280 -0.768 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.281 -0.240 0.708 1.00 0.00 H new ATOM 0 HH TYR A 59 9.735 0.467 1.468 1.00 0.00 H new ATOM 924 N VAL A 60 2.173 -3.319 5.120 1.00 0.00 N ATOM 925 CA VAL A 60 0.755 -3.447 5.412 1.00 0.00 C ATOM 926 C VAL A 60 0.459 -4.827 5.973 1.00 0.00 C ATOM 927 O VAL A 60 1.215 -5.774 5.754 1.00 0.00 O ATOM 928 CB VAL A 60 -0.128 -3.167 4.170 1.00 0.00 C ATOM 929 CG1 VAL A 60 -0.030 -1.704 3.765 1.00 0.00 C ATOM 930 CG2 VAL A 60 0.270 -4.063 3.012 1.00 0.00 C ATOM 0 H VAL A 60 2.585 -4.135 4.666 1.00 0.00 H new ATOM 0 HA VAL A 60 0.506 -2.693 6.158 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.163 -3.387 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.657 -1.526 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.368 -1.075 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.005 -1.462 3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.364 -3.848 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.312 -3.878 2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.148 -5.107 3.301 1.00 0.00 H new ATOM 940 N LYS A 61 -0.631 -4.927 6.707 1.00 0.00 N ATOM 941 CA LYS A 61 -0.958 -6.133 7.436 1.00 0.00 C ATOM 942 C LYS A 61 -2.373 -6.592 7.104 1.00 0.00 C ATOM 943 O LYS A 61 -3.292 -5.776 7.012 1.00 0.00 O ATOM 944 CB LYS A 61 -0.796 -5.858 8.930 1.00 0.00 C ATOM 945 CG LYS A 61 -1.737 -4.791 9.482 1.00 0.00 C ATOM 946 CD LYS A 61 -1.079 -3.965 10.577 1.00 0.00 C ATOM 947 CE LYS A 61 -0.339 -4.825 11.587 1.00 0.00 C ATOM 948 NZ LYS A 61 -1.228 -5.815 12.252 1.00 0.00 N ATOM 0 H LYS A 61 -1.313 -4.176 6.814 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.284 -6.939 7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.959 -6.786 9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.232 -5.552 9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.055 -4.134 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.634 -5.268 9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.382 -3.258 10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.840 -3.378 11.092 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.474 -5.351 11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.114 -4.184 12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.701 -6.306 13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.045 -5.324 12.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.561 -6.508 11.552 1.00 0.00 H new ATOM 962 N PRO A 62 -2.552 -7.905 6.898 1.00 0.00 N ATOM 963 CA PRO A 62 -3.846 -8.485 6.524 1.00 0.00 C ATOM 964 C PRO A 62 -4.937 -8.205 7.550 1.00 0.00 C ATOM 965 O PRO A 62 -4.739 -8.386 8.754 1.00 0.00 O ATOM 966 CB PRO A 62 -3.565 -9.988 6.443 1.00 0.00 C ATOM 967 CG PRO A 62 -2.089 -10.104 6.285 1.00 0.00 C ATOM 968 CD PRO A 62 -1.504 -8.931 7.013 1.00 0.00 C ATOM 0 HA PRO A 62 -4.218 -8.057 5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.906 -10.501 7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.088 -10.441 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.724 -11.043 6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.807 -10.091 5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.288 -9.171 8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.568 -8.603 6.561 1.00 0.00 H new ATOM 976 N LEU A 63 -6.075 -7.739 7.067 1.00 0.00 N ATOM 977 CA LEU A 63 -7.227 -7.495 7.915 1.00 0.00 C ATOM 978 C LEU A 63 -8.246 -8.613 7.739 1.00 0.00 C ATOM 979 O LEU A 63 -7.930 -9.675 7.203 1.00 0.00 O ATOM 980 CB LEU A 63 -7.862 -6.148 7.571 1.00 0.00 C ATOM 981 CG LEU A 63 -6.968 -4.930 7.780 1.00 0.00 C ATOM 982 CD1 LEU A 63 -7.667 -3.688 7.264 1.00 0.00 C ATOM 983 CD2 LEU A 63 -6.611 -4.775 9.251 1.00 0.00 C ATOM 0 H LEU A 63 -6.226 -7.520 6.082 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.900 -7.471 8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.178 -6.171 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.761 -6.025 8.174 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.042 -5.070 7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.025 -2.820 7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.877 -3.804 6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.603 -3.546 7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.973 -3.901 9.380 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.522 -4.649 9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.082 -5.664 9.593 1.00 0.00 H new ATOM 995 N TYR A 64 -9.468 -8.366 8.181 1.00 0.00 N ATOM 996 CA TYR A 64 -10.532 -9.353 8.071 1.00 0.00 C ATOM 997 C TYR A 64 -11.392 -9.077 6.844 1.00 0.00 C ATOM 998 O TYR A 64 -12.382 -9.763 6.595 1.00 0.00 O ATOM 999 CB TYR A 64 -11.399 -9.348 9.331 1.00 0.00 C ATOM 1000 CG TYR A 64 -10.667 -9.802 10.576 1.00 0.00 C ATOM 1001 CD1 TYR A 64 -10.551 -11.151 10.878 1.00 0.00 C ATOM 1002 CD2 TYR A 64 -10.100 -8.882 11.448 1.00 0.00 C ATOM 1003 CE1 TYR A 64 -9.889 -11.573 12.013 1.00 0.00 C ATOM 1004 CE2 TYR A 64 -9.436 -9.295 12.589 1.00 0.00 C ATOM 1005 CZ TYR A 64 -9.334 -10.642 12.866 1.00 0.00 C ATOM 1006 OH TYR A 64 -8.677 -11.062 14.002 1.00 0.00 O ATOM 0 H TYR A 64 -9.749 -7.489 8.620 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.075 -10.337 7.964 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.783 -8.341 9.493 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -12.261 -9.996 9.171 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.986 -11.883 10.214 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.179 -7.827 11.232 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.806 -12.627 12.232 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.001 -8.568 13.258 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.344 -10.283 14.494 1.00 0.00 H new ATOM 1016 N LEU A 65 -11.009 -8.063 6.085 1.00 0.00 N ATOM 1017 CA LEU A 65 -11.725 -7.698 4.880 1.00 0.00 C ATOM 1018 C LEU A 65 -11.112 -8.411 3.684 1.00 0.00 C ATOM 1019 O LEU A 65 -11.750 -9.347 3.153 1.00 0.00 O ATOM 1020 CB LEU A 65 -11.679 -6.181 4.673 1.00 0.00 C ATOM 1021 CG LEU A 65 -12.263 -5.342 5.815 1.00 0.00 C ATOM 1022 CD1 LEU A 65 -12.133 -3.857 5.509 1.00 0.00 C ATOM 1023 CD2 LEU A 65 -13.718 -5.710 6.063 1.00 0.00 C ATOM 1024 OXT LEU A 65 -9.976 -8.062 3.309 1.00 0.00 O ATOM 0 H LEU A 65 -10.200 -7.476 6.287 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.767 -8.001 4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.641 -5.884 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.217 -5.940 3.756 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.696 -5.558 6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.553 -3.278 6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.081 -3.602 5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.672 -3.626 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -14.113 -5.103 6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -14.299 -5.527 5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.786 -6.764 6.331 1.00 0.00 H new TER 1036 LEU A 65