USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=20 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 36 GLN : amide:sc= 0.335 K(o=0.33,f=-0.52) USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.064 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 4:sc= 1.06 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 155:sc= -0.129 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 22 CYS SG : rot -175:sc= 1.26 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0548 K(o=-0.055,f=-0.73) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 33 THR OG1 : rot 170:sc= 0.0161 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.087) 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+ 178:sc= 0 (180deg=-0.00399) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 56 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.096) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 67 GLN : amide:sc=-0.00346 X(o=-0.0035,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.880 -12.374 15.062 1.00 0.00 N ATOM 2 CA GLY A 1 19.286 -12.258 14.667 1.00 0.00 C ATOM 3 C GLY A 1 19.500 -10.946 13.940 1.00 0.00 C ATOM 4 O GLY A 1 18.896 -9.952 14.338 1.00 0.00 O ATOM 0 H1 GLY A 1 17.811 -12.923 15.942 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.483 -11.425 15.214 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.347 -12.856 14.310 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.927 -12.307 15.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.564 -13.092 14.023 1.00 0.00 H new ATOM 8 N PRO A 2 20.368 -10.890 12.920 1.00 0.00 N ATOM 9 CA PRO A 2 20.602 -9.672 12.166 1.00 0.00 C ATOM 10 C PRO A 2 19.395 -9.455 11.248 1.00 0.00 C ATOM 11 O PRO A 2 19.084 -10.309 10.415 1.00 0.00 O ATOM 12 CB PRO A 2 21.899 -9.917 11.394 1.00 0.00 C ATOM 13 CG PRO A 2 21.927 -11.432 11.187 1.00 0.00 C ATOM 14 CD PRO A 2 21.141 -11.993 12.372 1.00 0.00 C ATOM 0 HA PRO A 2 20.707 -8.776 12.777 1.00 0.00 H new ATOM 0 HB2 PRO A 2 21.904 -9.384 10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 2 22.768 -9.575 11.956 1.00 0.00 H new ATOM 0 HG2 PRO A 2 21.469 -11.712 10.238 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.948 -11.812 11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.486 -12.804 12.053 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.815 -12.404 13.124 1.00 0.00 H new ATOM 22 N LEU A 3 18.642 -8.386 11.475 1.00 0.00 N ATOM 23 CA LEU A 3 17.470 -8.007 10.691 1.00 0.00 C ATOM 24 C LEU A 3 17.932 -6.946 9.680 1.00 0.00 C ATOM 25 O LEU A 3 19.127 -6.642 9.599 1.00 0.00 O ATOM 26 CB LEU A 3 16.336 -7.537 11.631 1.00 0.00 C ATOM 27 CG LEU A 3 15.377 -8.672 12.048 1.00 0.00 C ATOM 28 CD1 LEU A 3 16.044 -9.770 12.886 1.00 0.00 C ATOM 29 CD2 LEU A 3 14.201 -8.126 12.863 1.00 0.00 C ATOM 0 H LEU A 3 18.836 -7.735 12.236 1.00 0.00 H new ATOM 0 HA LEU A 3 17.048 -8.845 10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.775 -7.095 12.525 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.765 -6.752 11.135 1.00 0.00 H new ATOM 0 HG LEU A 3 15.042 -9.110 11.108 1.00 0.00 H new ATOM 0 HD11 LEU A 3 15.307 -10.532 13.140 1.00 0.00 H new ATOM 0 HD12 LEU A 3 16.853 -10.224 12.313 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.447 -9.335 13.801 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.541 -8.947 13.144 1.00 0.00 H new ATOM 0 HD22 LEU A 3 14.577 -7.639 13.763 1.00 0.00 H new ATOM 0 HD23 LEU A 3 13.647 -7.404 12.263 1.00 0.00 H new ATOM 41 N GLY A 4 17.026 -6.417 8.859 1.00 0.00 N ATOM 42 CA GLY A 4 17.359 -5.404 7.868 1.00 0.00 C ATOM 43 C GLY A 4 16.114 -4.652 7.431 1.00 0.00 C ATOM 44 O GLY A 4 15.830 -3.581 7.962 1.00 0.00 O ATOM 0 H GLY A 4 16.041 -6.681 8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.085 -4.705 8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.828 -5.874 7.004 1.00 0.00 H new ATOM 48 N SER A 5 15.339 -5.233 6.508 1.00 0.00 N ATOM 49 CA SER A 5 14.121 -4.620 5.984 1.00 0.00 C ATOM 50 C SER A 5 14.392 -3.190 5.481 1.00 0.00 C ATOM 51 O SER A 5 13.768 -2.225 5.936 1.00 0.00 O ATOM 52 CB SER A 5 13.020 -4.680 7.050 1.00 0.00 C ATOM 53 OG SER A 5 12.709 -6.014 7.408 1.00 0.00 O ATOM 0 H SER A 5 15.544 -6.147 6.104 1.00 0.00 H new ATOM 0 HA SER A 5 13.773 -5.181 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.341 -4.131 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.124 -4.185 6.676 1.00 0.00 H new ATOM 0 HG SER A 5 12.005 -6.014 8.090 1.00 0.00 H new ATOM 59 N THR A 6 15.329 -3.049 4.544 1.00 0.00 N ATOM 60 CA THR A 6 15.706 -1.765 3.945 1.00 0.00 C ATOM 61 C THR A 6 15.169 -1.660 2.503 1.00 0.00 C ATOM 62 O THR A 6 15.400 -0.657 1.829 1.00 0.00 O ATOM 63 CB THR A 6 17.243 -1.581 3.998 1.00 0.00 C ATOM 64 OG1 THR A 6 17.845 -2.292 5.078 1.00 0.00 O ATOM 65 CG2 THR A 6 17.619 -0.101 4.149 1.00 0.00 C ATOM 0 H THR A 6 15.858 -3.837 4.172 1.00 0.00 H new ATOM 0 HA THR A 6 15.253 -0.958 4.521 1.00 0.00 H new ATOM 0 HB THR A 6 17.616 -1.980 3.055 1.00 0.00 H new ATOM 0 HG1 THR A 6 18.814 -2.145 5.067 1.00 0.00 H new ATOM 0 HG21 THR A 6 18.704 -0.003 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 6 17.231 0.462 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 6 17.190 0.291 5.071 1.00 0.00 H new ATOM 73 N ASP A 7 14.478 -2.692 2.015 1.00 0.00 N ATOM 74 CA ASP A 7 13.922 -2.774 0.672 1.00 0.00 C ATOM 75 C ASP A 7 12.763 -1.810 0.419 1.00 0.00 C ATOM 76 O ASP A 7 11.818 -1.730 1.204 1.00 0.00 O ATOM 77 CB ASP A 7 13.514 -4.223 0.381 1.00 0.00 C ATOM 78 CG ASP A 7 12.221 -4.702 1.053 1.00 0.00 C ATOM 79 OD1 ASP A 7 11.363 -5.232 0.311 1.00 0.00 O ATOM 80 OD2 ASP A 7 12.124 -4.713 2.308 1.00 0.00 O ATOM 0 H ASP A 7 14.285 -3.525 2.571 1.00 0.00 H new ATOM 0 HA ASP A 7 14.704 -2.460 -0.019 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.405 -4.340 -0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 7 14.327 -4.879 0.692 1.00 0.00 H new ATOM 85 N CYS A 8 12.850 -1.068 -0.689 1.00 0.00 N ATOM 86 CA CYS A 8 11.840 -0.108 -1.109 1.00 0.00 C ATOM 87 C CYS A 8 10.694 -0.873 -1.769 1.00 0.00 C ATOM 88 O CYS A 8 10.785 -1.246 -2.944 1.00 0.00 O ATOM 89 CB CYS A 8 12.411 0.914 -2.098 1.00 0.00 C ATOM 90 SG CYS A 8 13.603 2.007 -1.288 1.00 0.00 S ATOM 0 H CYS A 8 13.643 -1.123 -1.328 1.00 0.00 H new ATOM 0 HA CYS A 8 11.489 0.439 -0.234 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.894 0.394 -2.925 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.600 1.506 -2.523 1.00 0.00 H new ATOM 0 HG CYS A 8 14.069 2.858 -2.153 1.00 0.00 H new ATOM 96 N SER A 9 9.637 -1.173 -1.024 1.00 0.00 N ATOM 97 CA SER A 9 8.441 -1.885 -1.463 1.00 0.00 C ATOM 98 C SER A 9 7.332 -1.703 -0.424 1.00 0.00 C ATOM 99 O SER A 9 7.585 -1.204 0.679 1.00 0.00 O ATOM 100 CB SER A 9 8.769 -3.376 -1.580 1.00 0.00 C ATOM 101 OG SER A 9 9.636 -3.651 -2.659 1.00 0.00 O ATOM 0 H SER A 9 9.588 -0.911 -0.039 1.00 0.00 H new ATOM 0 HA SER A 9 8.112 -1.494 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.227 -3.719 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.845 -3.940 -1.707 1.00 0.00 H new ATOM 0 HG SER A 9 9.907 -2.810 -3.083 1.00 0.00 H new ATOM 107 N ILE A 10 6.108 -2.150 -0.743 1.00 0.00 N ATOM 108 CA ILE A 10 4.973 -2.053 0.177 1.00 0.00 C ATOM 109 C ILE A 10 5.255 -2.778 1.480 1.00 0.00 C ATOM 110 O ILE A 10 4.717 -2.364 2.501 1.00 0.00 O ATOM 111 CB ILE A 10 3.672 -2.574 -0.481 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.853 -1.403 -1.006 1.00 0.00 C ATOM 113 CG2 ILE A 10 2.750 -3.470 0.367 1.00 0.00 C ATOM 114 CD1 ILE A 10 2.215 -0.549 0.088 1.00 0.00 C ATOM 0 H ILE A 10 5.882 -2.584 -1.638 1.00 0.00 H new ATOM 0 HA ILE A 10 4.828 -0.998 0.410 1.00 0.00 H new ATOM 0 HB ILE A 10 4.042 -3.229 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.495 -0.770 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.068 -1.786 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.880 -3.758 -0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.293 -4.364 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.424 -2.923 1.251 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.649 0.263 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.545 -1.166 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.995 -0.134 0.727 1.00 0.00 H new ATOM 126 N VAL A 11 6.091 -3.818 1.472 1.00 0.00 N ATOM 127 CA VAL A 11 6.410 -4.547 2.692 1.00 0.00 C ATOM 128 C VAL A 11 6.888 -3.600 3.788 1.00 0.00 C ATOM 129 O VAL A 11 6.432 -3.725 4.923 1.00 0.00 O ATOM 130 CB VAL A 11 7.410 -5.682 2.447 1.00 0.00 C ATOM 131 CG1 VAL A 11 6.683 -6.905 1.877 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.546 -5.307 1.497 1.00 0.00 C ATOM 0 H VAL A 11 6.556 -4.170 0.635 1.00 0.00 H new ATOM 0 HA VAL A 11 5.489 -5.017 3.036 1.00 0.00 H new ATOM 0 HB VAL A 11 7.856 -5.901 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.400 -7.708 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.925 -7.241 2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.205 -6.638 0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.213 -6.160 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.132 -5.025 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.104 -4.467 1.911 1.00 0.00 H new ATOM 142 N SER A 12 7.743 -2.636 3.453 1.00 0.00 N ATOM 143 CA SER A 12 8.252 -1.669 4.407 1.00 0.00 C ATOM 144 C SER A 12 7.099 -0.804 4.938 1.00 0.00 C ATOM 145 O SER A 12 7.047 -0.529 6.143 1.00 0.00 O ATOM 146 CB SER A 12 9.330 -0.821 3.715 1.00 0.00 C ATOM 147 OG SER A 12 10.107 -0.086 4.639 1.00 0.00 O ATOM 0 H SER A 12 8.100 -2.508 2.506 1.00 0.00 H new ATOM 0 HA SER A 12 8.701 -2.173 5.263 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.982 -1.471 3.131 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.855 -0.134 3.015 1.00 0.00 H new ATOM 0 HG SER A 12 10.781 0.437 4.157 1.00 0.00 H new ATOM 153 N PHE A 13 6.174 -0.392 4.062 1.00 0.00 N ATOM 154 CA PHE A 13 5.048 0.448 4.466 1.00 0.00 C ATOM 155 C PHE A 13 4.098 -0.349 5.359 1.00 0.00 C ATOM 156 O PHE A 13 3.734 0.108 6.438 1.00 0.00 O ATOM 157 CB PHE A 13 4.356 1.041 3.232 1.00 0.00 C ATOM 158 CG PHE A 13 3.091 1.833 3.530 1.00 0.00 C ATOM 159 CD1 PHE A 13 1.836 1.349 3.110 1.00 0.00 C ATOM 160 CD2 PHE A 13 3.164 3.067 4.207 1.00 0.00 C ATOM 161 CE1 PHE A 13 0.668 2.080 3.370 1.00 0.00 C ATOM 162 CE2 PHE A 13 1.989 3.791 4.483 1.00 0.00 C ATOM 163 CZ PHE A 13 0.744 3.280 4.085 1.00 0.00 C ATOM 0 H PHE A 13 6.186 -0.629 3.070 1.00 0.00 H new ATOM 0 HA PHE A 13 5.407 1.291 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.061 1.691 2.714 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.108 0.230 2.547 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.773 0.408 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.123 3.458 4.514 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.287 1.718 3.019 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.045 4.738 5.000 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.160 3.816 4.332 1.00 0.00 H new ATOM 173 N PHE A 14 3.709 -1.561 4.957 1.00 0.00 N ATOM 174 CA PHE A 14 2.822 -2.417 5.725 1.00 0.00 C ATOM 175 C PHE A 14 3.454 -2.720 7.076 1.00 0.00 C ATOM 176 O PHE A 14 2.744 -2.716 8.082 1.00 0.00 O ATOM 177 CB PHE A 14 2.532 -3.700 4.947 1.00 0.00 C ATOM 178 CG PHE A 14 1.295 -3.666 4.074 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.520 -4.832 3.937 1.00 0.00 C ATOM 180 CD2 PHE A 14 0.927 -2.501 3.375 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.598 -4.838 3.091 1.00 0.00 C ATOM 182 CE2 PHE A 14 -0.190 -2.509 2.527 1.00 0.00 C ATOM 183 CZ PHE A 14 -0.950 -3.681 2.382 1.00 0.00 C ATOM 0 H PHE A 14 4.010 -1.975 4.075 1.00 0.00 H new ATOM 0 HA PHE A 14 1.874 -1.907 5.895 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.393 -3.926 4.318 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.432 -4.521 5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.787 -5.724 4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.507 -1.598 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.189 -5.736 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.465 -1.615 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.806 -3.691 1.724 1.00 0.00 H new ATOM 193 N ALA A 15 4.770 -2.950 7.109 1.00 0.00 N ATOM 194 CA ALA A 15 5.497 -3.223 8.333 1.00 0.00 C ATOM 195 C ALA A 15 5.389 -1.999 9.247 1.00 0.00 C ATOM 196 O ALA A 15 5.256 -2.185 10.451 1.00 0.00 O ATOM 197 CB ALA A 15 6.943 -3.602 8.021 1.00 0.00 C ATOM 0 H ALA A 15 5.357 -2.950 6.275 1.00 0.00 H new ATOM 0 HA ALA A 15 5.064 -4.077 8.855 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.475 -3.804 8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.958 -4.493 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.429 -2.780 7.496 1.00 0.00 H new ATOM 203 N ARG A 16 5.435 -0.766 8.708 1.00 0.00 N ATOM 204 CA ARG A 16 5.286 0.440 9.532 1.00 0.00 C ATOM 205 C ARG A 16 3.881 0.446 10.132 1.00 0.00 C ATOM 206 O ARG A 16 3.749 0.729 11.317 1.00 0.00 O ATOM 207 CB ARG A 16 5.498 1.741 8.729 1.00 0.00 C ATOM 208 CG ARG A 16 6.955 2.003 8.337 1.00 0.00 C ATOM 209 CD ARG A 16 7.707 2.767 9.435 1.00 0.00 C ATOM 210 NE ARG A 16 9.156 2.759 9.197 1.00 0.00 N ATOM 211 CZ ARG A 16 9.825 3.437 8.257 1.00 0.00 C ATOM 212 NH1 ARG A 16 9.210 4.292 7.448 1.00 0.00 N ATOM 213 NH2 ARG A 16 11.129 3.233 8.120 1.00 0.00 N ATOM 0 H ARG A 16 5.573 -0.583 7.714 1.00 0.00 H new ATOM 0 HA ARG A 16 6.052 0.411 10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.891 1.700 7.824 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.135 2.583 9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.457 1.055 8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.986 2.574 7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.349 3.796 9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.494 2.317 10.405 1.00 0.00 H new ATOM 0 HE ARG A 16 9.714 2.172 9.817 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.205 4.444 7.535 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.742 4.797 6.739 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.608 2.567 8.727 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.653 3.742 7.408 1.00 0.00 H new ATOM 227 N LEU A 17 2.836 0.150 9.346 1.00 0.00 N ATOM 228 CA LEU A 17 1.456 0.126 9.856 1.00 0.00 C ATOM 229 C LEU A 17 1.262 -1.007 10.875 1.00 0.00 C ATOM 230 O LEU A 17 0.367 -0.938 11.719 1.00 0.00 O ATOM 231 CB LEU A 17 0.412 -0.056 8.733 1.00 0.00 C ATOM 232 CG LEU A 17 0.530 0.851 7.498 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.638 0.616 6.531 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.613 2.335 7.867 1.00 0.00 C ATOM 0 H LEU A 17 2.919 -0.076 8.355 1.00 0.00 H new ATOM 0 HA LEU A 17 1.300 1.095 10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.459 -1.091 8.395 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.577 0.093 9.166 1.00 0.00 H new ATOM 0 HG LEU A 17 1.464 0.582 7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.531 1.270 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.635 -0.423 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.579 0.834 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.695 2.932 6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.285 2.625 8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.488 2.506 8.494 1.00 0.00 H new ATOM 246 N GLY A 18 2.089 -2.049 10.807 1.00 0.00 N ATOM 247 CA GLY A 18 2.045 -3.202 11.678 1.00 0.00 C ATOM 248 C GLY A 18 1.077 -4.210 11.089 1.00 0.00 C ATOM 249 O GLY A 18 0.285 -4.785 11.831 1.00 0.00 O ATOM 0 H GLY A 18 2.834 -2.107 10.113 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.038 -3.642 11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.726 -2.910 12.678 1.00 0.00 H new ATOM 253 N CYS A 19 1.061 -4.366 9.759 1.00 0.00 N ATOM 254 CA CYS A 19 0.169 -5.319 9.117 1.00 0.00 C ATOM 255 C CYS A 19 0.655 -6.759 9.345 1.00 0.00 C ATOM 256 O CYS A 19 1.846 -6.973 9.583 1.00 0.00 O ATOM 257 CB CYS A 19 0.105 -5.082 7.603 1.00 0.00 C ATOM 258 SG CYS A 19 -0.415 -3.394 7.210 1.00 0.00 S ATOM 0 H CYS A 19 1.656 -3.844 9.116 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.817 -5.177 9.559 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.084 -5.273 7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.590 -5.791 7.153 1.00 0.00 H new ATOM 0 HG CYS A 19 0.041 -3.061 6.039 1.00 0.00 H new ATOM 264 N SER A 20 -0.232 -7.743 9.166 1.00 0.00 N ATOM 265 CA SER A 20 0.077 -9.160 9.320 1.00 0.00 C ATOM 266 C SER A 20 -0.377 -9.891 8.047 1.00 0.00 C ATOM 267 O SER A 20 0.273 -9.735 7.012 1.00 0.00 O ATOM 268 CB SER A 20 -0.487 -9.672 10.655 1.00 0.00 C ATOM 269 OG SER A 20 -0.245 -11.052 10.839 1.00 0.00 O ATOM 0 H SER A 20 -1.203 -7.569 8.905 1.00 0.00 H new ATOM 0 HA SER A 20 1.146 -9.359 9.400 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.038 -9.113 11.476 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.560 -9.484 10.691 1.00 0.00 H new ATOM 0 HG SER A 20 -0.617 -11.338 11.699 1.00 0.00 H new ATOM 275 N SER A 21 -1.524 -10.577 8.052 1.00 0.00 N ATOM 276 CA SER A 21 -2.064 -11.341 6.926 1.00 0.00 C ATOM 277 C SER A 21 -2.163 -10.546 5.624 1.00 0.00 C ATOM 278 O SER A 21 -2.018 -11.119 4.545 1.00 0.00 O ATOM 279 CB SER A 21 -3.442 -11.901 7.297 1.00 0.00 C ATOM 280 OG SER A 21 -3.445 -12.439 8.607 1.00 0.00 O ATOM 0 H SER A 21 -2.125 -10.616 8.875 1.00 0.00 H new ATOM 0 HA SER A 21 -1.355 -12.147 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.189 -11.111 7.225 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.726 -12.675 6.584 1.00 0.00 H new ATOM 0 HG SER A 21 -4.337 -12.787 8.816 1.00 0.00 H new ATOM 286 N CYS A 22 -2.364 -9.229 5.706 1.00 0.00 N ATOM 287 CA CYS A 22 -2.463 -8.384 4.527 1.00 0.00 C ATOM 288 C CYS A 22 -1.159 -8.401 3.727 1.00 0.00 C ATOM 289 O CYS A 22 -1.167 -8.282 2.502 1.00 0.00 O ATOM 290 CB CYS A 22 -2.790 -6.945 4.955 1.00 0.00 C ATOM 291 SG CYS A 22 -4.165 -6.911 6.138 1.00 0.00 S ATOM 0 H CYS A 22 -2.461 -8.726 6.588 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.258 -8.771 3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.909 -6.487 5.404 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.046 -6.351 4.078 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.487 -5.678 6.394 1.00 0.00 H new ATOM 297 N LEU A 23 -0.021 -8.466 4.425 1.00 0.00 N ATOM 298 CA LEU A 23 1.300 -8.473 3.827 1.00 0.00 C ATOM 299 C LEU A 23 1.492 -9.777 3.076 1.00 0.00 C ATOM 300 O LEU A 23 2.091 -9.753 1.999 1.00 0.00 O ATOM 301 CB LEU A 23 2.370 -8.182 4.905 1.00 0.00 C ATOM 302 CG LEU A 23 3.153 -9.348 5.548 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.363 -9.761 4.694 1.00 0.00 C ATOM 304 CD2 LEU A 23 3.681 -8.889 6.912 1.00 0.00 C ATOM 0 H LEU A 23 -0.002 -8.516 5.444 1.00 0.00 H new ATOM 0 HA LEU A 23 1.411 -7.676 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.101 -7.505 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.879 -7.637 5.711 1.00 0.00 H new ATOM 0 HG LEU A 23 2.477 -10.198 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.888 -10.584 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.021 -10.080 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.039 -8.913 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.237 -9.702 7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.339 -8.030 6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.844 -8.608 7.551 1.00 0.00 H new ATOM 316 N ASP A 24 0.986 -10.874 3.656 1.00 0.00 N ATOM 317 CA ASP A 24 1.039 -12.226 3.118 1.00 0.00 C ATOM 318 C ASP A 24 0.246 -12.269 1.822 1.00 0.00 C ATOM 319 O ASP A 24 0.796 -12.677 0.808 1.00 0.00 O ATOM 320 CB ASP A 24 0.507 -13.241 4.124 1.00 0.00 C ATOM 321 CG ASP A 24 0.387 -14.653 3.544 1.00 0.00 C ATOM 322 OD1 ASP A 24 1.167 -15.538 3.955 1.00 0.00 O ATOM 323 OD2 ASP A 24 -0.579 -14.958 2.814 1.00 0.00 O ATOM 0 H ASP A 24 0.507 -10.833 4.556 1.00 0.00 H new ATOM 0 HA ASP A 24 2.076 -12.494 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.167 -13.265 4.991 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.471 -12.915 4.478 1.00 0.00 H new ATOM 328 N TYR A 25 -0.997 -11.783 1.818 1.00 0.00 N ATOM 329 CA TYR A 25 -1.830 -11.772 0.622 1.00 0.00 C ATOM 330 C TYR A 25 -1.109 -11.011 -0.496 1.00 0.00 C ATOM 331 O TYR A 25 -0.954 -11.526 -1.607 1.00 0.00 O ATOM 332 CB TYR A 25 -3.193 -11.136 0.939 1.00 0.00 C ATOM 333 CG TYR A 25 -4.010 -11.794 2.047 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.766 -10.983 2.917 1.00 0.00 C ATOM 335 CD2 TYR A 25 -4.016 -13.195 2.230 1.00 0.00 C ATOM 336 CE1 TYR A 25 -5.446 -11.544 4.013 1.00 0.00 C ATOM 337 CE2 TYR A 25 -4.712 -13.771 3.309 1.00 0.00 C ATOM 338 CZ TYR A 25 -5.394 -12.940 4.226 1.00 0.00 C ATOM 339 OH TYR A 25 -5.958 -13.465 5.347 1.00 0.00 O ATOM 0 H TYR A 25 -1.450 -11.388 2.642 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.006 -12.794 0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.028 -10.093 1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.791 -11.138 0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.824 -9.919 2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.483 -13.828 1.537 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.004 -10.912 4.688 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.725 -14.843 3.436 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.840 -14.438 5.348 1.00 0.00 H new ATOM 349 N PHE A 26 -0.596 -9.813 -0.194 1.00 0.00 N ATOM 350 CA PHE A 26 0.102 -9.000 -1.173 1.00 0.00 C ATOM 351 C PHE A 26 1.330 -9.699 -1.767 1.00 0.00 C ATOM 352 O PHE A 26 1.546 -9.627 -2.979 1.00 0.00 O ATOM 353 CB PHE A 26 0.448 -7.651 -0.529 1.00 0.00 C ATOM 354 CG PHE A 26 -0.485 -6.559 -0.989 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.403 -6.064 -2.304 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.499 -6.108 -0.130 1.00 0.00 C ATOM 357 CE1 PHE A 26 -1.378 -5.167 -2.770 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.449 -5.184 -0.584 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.400 -4.728 -1.909 1.00 0.00 C ATOM 0 H PHE A 26 -0.657 -9.390 0.732 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.557 -8.835 -2.026 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.396 -7.741 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.475 -7.382 -0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.405 -6.372 -2.951 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.547 -6.475 0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.343 -4.814 -3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.217 -4.824 0.085 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.149 -4.038 -2.269 1.00 0.00 H new ATOM 369 N THR A 27 2.164 -10.328 -0.936 1.00 0.00 N ATOM 370 CA THR A 27 3.363 -11.028 -1.395 1.00 0.00 C ATOM 371 C THR A 27 2.983 -12.326 -2.126 1.00 0.00 C ATOM 372 O THR A 27 3.637 -12.679 -3.108 1.00 0.00 O ATOM 373 CB THR A 27 4.385 -11.168 -0.244 1.00 0.00 C ATOM 374 OG1 THR A 27 5.655 -11.562 -0.713 1.00 0.00 O ATOM 375 CG2 THR A 27 3.984 -12.098 0.893 1.00 0.00 C ATOM 0 H THR A 27 2.026 -10.366 0.074 1.00 0.00 H new ATOM 0 HA THR A 27 3.887 -10.439 -2.148 1.00 0.00 H new ATOM 0 HB THR A 27 4.415 -10.161 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.274 -11.638 0.043 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.775 -12.119 1.642 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.062 -11.738 1.349 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.828 -13.104 0.503 1.00 0.00 H new ATOM 383 N THR A 28 1.917 -13.023 -1.715 1.00 0.00 N ATOM 384 CA THR A 28 1.476 -14.257 -2.358 1.00 0.00 C ATOM 385 C THR A 28 0.987 -13.940 -3.774 1.00 0.00 C ATOM 386 O THR A 28 1.230 -14.718 -4.697 1.00 0.00 O ATOM 387 CB THR A 28 0.410 -14.978 -1.483 1.00 0.00 C ATOM 388 OG1 THR A 28 0.769 -16.327 -1.288 1.00 0.00 O ATOM 389 CG2 THR A 28 -1.043 -14.977 -1.972 1.00 0.00 C ATOM 0 H THR A 28 1.337 -12.742 -0.924 1.00 0.00 H new ATOM 0 HA THR A 28 2.308 -14.955 -2.450 1.00 0.00 H new ATOM 0 HB THR A 28 0.420 -14.375 -0.575 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.092 -16.769 -0.735 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.667 -15.516 -1.259 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.397 -13.950 -2.059 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.100 -15.464 -2.945 1.00 0.00 H new ATOM 397 N GLN A 29 0.328 -12.793 -3.965 1.00 0.00 N ATOM 398 CA GLN A 29 -0.196 -12.390 -5.249 1.00 0.00 C ATOM 399 C GLN A 29 0.900 -11.867 -6.174 1.00 0.00 C ATOM 400 O GLN A 29 0.763 -12.001 -7.390 1.00 0.00 O ATOM 401 CB GLN A 29 -1.243 -11.314 -4.976 1.00 0.00 C ATOM 402 CG GLN A 29 -2.547 -11.897 -4.411 1.00 0.00 C ATOM 403 CD GLN A 29 -3.432 -12.405 -5.548 1.00 0.00 C ATOM 404 OE1 GLN A 29 -3.662 -11.689 -6.519 1.00 0.00 O ATOM 405 NE2 GLN A 29 -3.966 -13.607 -5.497 1.00 0.00 N ATOM 0 H GLN A 29 0.148 -12.121 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.635 -13.245 -5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.838 -10.587 -4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.458 -10.777 -5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.322 -12.712 -3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.077 -11.135 -3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.784 -14.213 -4.697 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.562 -13.933 -6.258 1.00 0.00 H new ATOM 414 N GLY A 30 1.984 -11.325 -5.615 1.00 0.00 N ATOM 415 CA GLY A 30 3.109 -10.799 -6.371 1.00 0.00 C ATOM 416 C GLY A 30 2.795 -9.463 -7.042 1.00 0.00 C ATOM 417 O GLY A 30 3.249 -9.215 -8.155 1.00 0.00 O ATOM 0 H GLY A 30 2.101 -11.241 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.963 -10.675 -5.705 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.401 -11.523 -7.132 1.00 0.00 H new ATOM 421 N LEU A 31 2.037 -8.585 -6.378 1.00 0.00 N ATOM 422 CA LEU A 31 1.628 -7.262 -6.893 1.00 0.00 C ATOM 423 C LEU A 31 1.728 -6.160 -5.826 1.00 0.00 C ATOM 424 O LEU A 31 0.955 -5.197 -5.809 1.00 0.00 O ATOM 425 CB LEU A 31 0.188 -7.377 -7.426 1.00 0.00 C ATOM 426 CG LEU A 31 -0.751 -8.221 -6.553 1.00 0.00 C ATOM 427 CD1 LEU A 31 -0.889 -7.786 -5.092 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.138 -8.254 -7.152 1.00 0.00 C ATOM 0 H LEU A 31 1.678 -8.774 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 31 2.309 -6.971 -7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.230 -6.375 -7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.218 -7.809 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.273 -9.201 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.577 -8.456 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.087 -7.824 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.275 -6.768 -5.051 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.792 -8.856 -6.522 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.530 -7.239 -7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.093 -8.690 -8.150 1.00 0.00 H new ATOM 440 N THR A 32 2.639 -6.319 -4.876 1.00 0.00 N ATOM 441 CA THR A 32 2.812 -5.380 -3.780 1.00 0.00 C ATOM 442 C THR A 32 3.723 -4.229 -4.216 1.00 0.00 C ATOM 443 O THR A 32 4.920 -4.407 -4.461 1.00 0.00 O ATOM 444 CB THR A 32 3.311 -6.295 -2.631 1.00 0.00 C ATOM 445 OG1 THR A 32 3.708 -5.651 -1.453 1.00 0.00 O ATOM 446 CG2 THR A 32 4.379 -7.344 -2.955 1.00 0.00 C ATOM 0 H THR A 32 3.283 -7.110 -4.845 1.00 0.00 H new ATOM 0 HA THR A 32 1.924 -4.841 -3.448 1.00 0.00 H new ATOM 0 HB THR A 32 2.368 -6.817 -2.472 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.001 -6.319 -0.798 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.624 -7.904 -2.053 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.999 -8.028 -3.714 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.275 -6.848 -3.329 1.00 0.00 H new ATOM 454 N THR A 33 3.180 -3.002 -4.237 1.00 0.00 N ATOM 455 CA THR A 33 3.945 -1.837 -4.633 1.00 0.00 C ATOM 456 C THR A 33 3.343 -0.554 -4.062 1.00 0.00 C ATOM 457 O THR A 33 2.129 -0.447 -3.899 1.00 0.00 O ATOM 458 CB THR A 33 4.015 -1.842 -6.182 1.00 0.00 C ATOM 459 OG1 THR A 33 4.148 -0.538 -6.719 1.00 0.00 O ATOM 460 CG2 THR A 33 2.847 -2.600 -6.869 1.00 0.00 C ATOM 0 H THR A 33 2.213 -2.804 -3.982 1.00 0.00 H new ATOM 0 HA THR A 33 4.956 -1.874 -4.227 1.00 0.00 H new ATOM 0 HB THR A 33 4.921 -2.403 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.349 -0.597 -7.676 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.971 -2.556 -7.951 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.849 -3.641 -6.546 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.900 -2.136 -6.593 1.00 0.00 H new ATOM 468 N ILE A 34 4.199 0.427 -3.762 1.00 0.00 N ATOM 469 CA ILE A 34 3.792 1.729 -3.233 1.00 0.00 C ATOM 470 C ILE A 34 3.296 2.616 -4.371 1.00 0.00 C ATOM 471 O ILE A 34 2.219 3.203 -4.331 1.00 0.00 O ATOM 472 CB ILE A 34 4.902 2.442 -2.412 1.00 0.00 C ATOM 473 CG1 ILE A 34 5.700 1.471 -1.512 1.00 0.00 C ATOM 474 CG2 ILE A 34 4.248 3.559 -1.581 1.00 0.00 C ATOM 475 CD1 ILE A 34 6.428 2.094 -0.316 1.00 0.00 C ATOM 0 H ILE A 34 5.208 0.336 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 34 2.980 1.546 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 34 5.630 2.863 -3.106 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.014 0.711 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.436 0.958 -2.131 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.012 4.072 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.761 4.271 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.507 3.126 -0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.951 1.314 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.148 2.831 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.704 2.580 0.338 1.00 0.00 H new ATOM 487 N TYR A 35 4.134 2.707 -5.401 1.00 0.00 N ATOM 488 CA TYR A 35 3.959 3.518 -6.592 1.00 0.00 C ATOM 489 C TYR A 35 2.660 3.196 -7.313 1.00 0.00 C ATOM 490 O TYR A 35 2.099 4.044 -8.008 1.00 0.00 O ATOM 491 CB TYR A 35 5.182 3.344 -7.509 1.00 0.00 C ATOM 492 CG TYR A 35 6.540 3.205 -6.819 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.506 2.344 -7.375 1.00 0.00 C ATOM 494 CD2 TYR A 35 6.829 3.864 -5.602 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.731 2.124 -6.723 1.00 0.00 C ATOM 496 CE2 TYR A 35 8.034 3.617 -4.921 1.00 0.00 C ATOM 497 CZ TYR A 35 9.002 2.760 -5.489 1.00 0.00 C ATOM 498 OH TYR A 35 10.183 2.557 -4.848 1.00 0.00 O ATOM 0 H TYR A 35 5.007 2.181 -5.422 1.00 0.00 H new ATOM 0 HA TYR A 35 3.887 4.565 -6.296 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.022 2.461 -8.127 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.228 4.200 -8.182 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.303 1.848 -8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.117 4.564 -5.191 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.467 1.468 -7.165 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.219 4.082 -3.964 1.00 0.00 H new ATOM 0 HH TYR A 35 10.197 3.074 -4.016 1.00 0.00 H new ATOM 508 N GLN A 36 2.183 1.963 -7.159 1.00 0.00 N ATOM 509 CA GLN A 36 0.948 1.541 -7.787 1.00 0.00 C ATOM 510 C GLN A 36 -0.243 1.982 -6.962 1.00 0.00 C ATOM 511 O GLN A 36 -1.128 2.612 -7.530 1.00 0.00 O ATOM 512 CB GLN A 36 0.958 0.038 -8.024 1.00 0.00 C ATOM 513 CG GLN A 36 1.725 -0.329 -9.304 1.00 0.00 C ATOM 514 CD GLN A 36 1.180 0.394 -10.539 1.00 0.00 C ATOM 515 OE1 GLN A 36 1.818 1.305 -11.067 1.00 0.00 O ATOM 516 NE2 GLN A 36 -0.029 0.097 -10.981 1.00 0.00 N ATOM 0 H GLN A 36 2.640 1.241 -6.601 1.00 0.00 H new ATOM 0 HA GLN A 36 0.862 2.021 -8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.414 -0.462 -7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.067 -0.326 -8.096 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.779 -0.081 -9.177 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.668 -1.406 -9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.560 -0.657 -10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.431 0.622 -11.758 1.00 0.00 H new ATOM 525 N ILE A 37 -0.281 1.702 -5.655 1.00 0.00 N ATOM 526 CA ILE A 37 -1.415 2.124 -4.830 1.00 0.00 C ATOM 527 C ILE A 37 -1.556 3.650 -4.837 1.00 0.00 C ATOM 528 O ILE A 37 -2.653 4.168 -4.643 1.00 0.00 O ATOM 529 CB ILE A 37 -1.376 1.504 -3.427 1.00 0.00 C ATOM 530 CG1 ILE A 37 -0.150 1.995 -2.645 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.443 -0.028 -3.544 1.00 0.00 C ATOM 532 CD1 ILE A 37 -0.159 1.544 -1.196 1.00 0.00 C ATOM 0 H ILE A 37 0.447 1.194 -5.153 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.329 1.732 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.245 1.828 -2.854 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.755 1.629 -3.129 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.113 3.084 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.415 -0.471 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.369 -0.315 -4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.592 -0.386 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.731 1.920 -0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.048 1.932 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.167 0.455 -1.154 1.00 0.00 H new ATOM 544 N GLU A 38 -0.472 4.372 -5.123 1.00 0.00 N ATOM 545 CA GLU A 38 -0.449 5.824 -5.205 1.00 0.00 C ATOM 546 C GLU A 38 -1.466 6.289 -6.264 1.00 0.00 C ATOM 547 O GLU A 38 -2.042 7.369 -6.141 1.00 0.00 O ATOM 548 CB GLU A 38 0.990 6.260 -5.547 1.00 0.00 C ATOM 549 CG GLU A 38 1.558 7.306 -4.587 1.00 0.00 C ATOM 550 CD GLU A 38 0.821 8.636 -4.692 1.00 0.00 C ATOM 551 OE1 GLU A 38 -0.075 8.894 -3.866 1.00 0.00 O ATOM 552 OE2 GLU A 38 1.150 9.427 -5.608 1.00 0.00 O ATOM 0 H GLU A 38 0.436 3.947 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.734 6.283 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.638 5.383 -5.540 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.008 6.661 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.491 6.934 -3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.616 7.459 -4.802 1.00 0.00 H new ATOM 559 N HIS A 39 -1.717 5.469 -7.296 1.00 0.00 N ATOM 560 CA HIS A 39 -2.664 5.768 -8.363 1.00 0.00 C ATOM 561 C HIS A 39 -3.865 4.804 -8.377 1.00 0.00 C ATOM 562 O HIS A 39 -4.933 5.195 -8.854 1.00 0.00 O ATOM 563 CB HIS A 39 -1.886 5.777 -9.678 1.00 0.00 C ATOM 564 CG HIS A 39 -2.711 6.111 -10.885 1.00 0.00 C ATOM 565 ND1 HIS A 39 -3.762 6.997 -10.964 1.00 0.00 N ATOM 566 CD2 HIS A 39 -2.574 5.522 -12.105 1.00 0.00 C ATOM 567 CE1 HIS A 39 -4.272 6.914 -12.201 1.00 0.00 C ATOM 568 NE2 HIS A 39 -3.570 6.034 -12.944 1.00 0.00 N ATOM 0 H HIS A 39 -1.256 4.566 -7.408 1.00 0.00 H new ATOM 0 HA HIS A 39 -3.114 6.747 -8.200 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.072 6.497 -9.599 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.432 4.797 -9.824 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.829 4.789 -12.377 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.126 7.474 -12.553 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.732 5.791 -13.921 1.00 0.00 H new ATOM 576 N TYR A 40 -3.740 3.596 -7.817 1.00 0.00 N ATOM 577 CA TYR A 40 -4.837 2.636 -7.740 1.00 0.00 C ATOM 578 C TYR A 40 -5.784 3.174 -6.656 1.00 0.00 C ATOM 579 O TYR A 40 -5.466 3.138 -5.463 1.00 0.00 O ATOM 580 CB TYR A 40 -4.379 1.206 -7.363 1.00 0.00 C ATOM 581 CG TYR A 40 -3.716 0.322 -8.416 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.620 -0.517 -8.081 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.295 0.218 -9.701 1.00 0.00 C ATOM 584 CE1 TYR A 40 -2.165 -1.473 -9.006 1.00 0.00 C ATOM 585 CE2 TYR A 40 -3.813 -0.720 -10.637 1.00 0.00 C ATOM 586 CZ TYR A 40 -2.754 -1.583 -10.282 1.00 0.00 C ATOM 587 OH TYR A 40 -2.246 -2.500 -11.151 1.00 0.00 O ATOM 0 H TYR A 40 -2.870 3.259 -7.404 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.308 2.544 -8.719 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.683 1.296 -6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.253 0.671 -6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.138 -0.421 -7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.117 0.865 -9.969 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.353 -2.132 -8.735 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.252 -0.778 -11.622 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.749 -2.468 -11.992 1.00 0.00 H new ATOM 597 N SER A 41 -6.926 3.727 -7.053 1.00 0.00 N ATOM 598 CA SER A 41 -7.905 4.257 -6.118 1.00 0.00 C ATOM 599 C SER A 41 -8.641 3.100 -5.426 1.00 0.00 C ATOM 600 O SER A 41 -8.443 1.925 -5.753 1.00 0.00 O ATOM 601 CB SER A 41 -8.851 5.198 -6.862 1.00 0.00 C ATOM 602 OG SER A 41 -8.120 6.223 -7.506 1.00 0.00 O ATOM 0 H SER A 41 -7.196 3.819 -8.032 1.00 0.00 H new ATOM 0 HA SER A 41 -7.415 4.835 -5.335 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.428 4.637 -7.597 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.564 5.635 -6.163 1.00 0.00 H new ATOM 0 HG SER A 41 -8.738 6.817 -7.980 1.00 0.00 H new ATOM 608 N MET A 42 -9.539 3.423 -4.492 1.00 0.00 N ATOM 609 CA MET A 42 -10.310 2.454 -3.726 1.00 0.00 C ATOM 610 C MET A 42 -11.050 1.389 -4.547 1.00 0.00 C ATOM 611 O MET A 42 -11.436 0.374 -3.964 1.00 0.00 O ATOM 612 CB MET A 42 -11.255 3.153 -2.743 1.00 0.00 C ATOM 613 CG MET A 42 -12.411 3.923 -3.387 1.00 0.00 C ATOM 614 SD MET A 42 -13.722 4.334 -2.205 1.00 0.00 S ATOM 615 CE MET A 42 -15.102 4.553 -3.356 1.00 0.00 C ATOM 0 H MET A 42 -9.752 4.390 -4.245 1.00 0.00 H new ATOM 0 HA MET A 42 -9.559 1.890 -3.173 1.00 0.00 H new ATOM 0 HB2 MET A 42 -11.669 2.405 -2.068 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.673 3.845 -2.134 1.00 0.00 H new ATOM 0 HG2 MET A 42 -12.027 4.841 -3.832 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.832 3.328 -4.198 1.00 0.00 H new ATOM 0 HE1 MET A 42 -16.002 4.813 -2.799 1.00 0.00 H new ATOM 0 HE2 MET A 42 -14.867 5.353 -4.058 1.00 0.00 H new ATOM 0 HE3 MET A 42 -15.269 3.626 -3.904 1.00 0.00 H new ATOM 625 N ASP A 43 -11.342 1.620 -5.830 1.00 0.00 N ATOM 626 CA ASP A 43 -12.032 0.636 -6.670 1.00 0.00 C ATOM 627 C ASP A 43 -11.117 -0.555 -6.919 1.00 0.00 C ATOM 628 O ASP A 43 -11.537 -1.697 -6.738 1.00 0.00 O ATOM 629 CB ASP A 43 -12.462 1.220 -8.020 1.00 0.00 C ATOM 630 CG ASP A 43 -13.591 2.225 -7.880 1.00 0.00 C ATOM 631 OD1 ASP A 43 -14.695 1.835 -7.428 1.00 0.00 O ATOM 632 OD2 ASP A 43 -13.339 3.423 -8.159 1.00 0.00 O ATOM 0 H ASP A 43 -11.109 2.488 -6.313 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.930 0.329 -6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.607 1.702 -8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.778 0.411 -8.679 1.00 0.00 H new ATOM 637 N ASP A 44 -9.865 -0.292 -7.313 1.00 0.00 N ATOM 638 CA ASP A 44 -8.885 -1.343 -7.582 1.00 0.00 C ATOM 639 C ASP A 44 -8.626 -2.109 -6.297 1.00 0.00 C ATOM 640 O ASP A 44 -8.661 -3.337 -6.291 1.00 0.00 O ATOM 641 CB ASP A 44 -7.570 -0.788 -8.146 1.00 0.00 C ATOM 642 CG ASP A 44 -7.115 -1.580 -9.373 1.00 0.00 C ATOM 643 OD1 ASP A 44 -7.194 -1.017 -10.489 1.00 0.00 O ATOM 644 OD2 ASP A 44 -6.721 -2.762 -9.256 1.00 0.00 O ATOM 0 H ASP A 44 -9.507 0.653 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.296 -2.005 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.700 0.260 -8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.797 -0.826 -7.378 1.00 0.00 H new ATOM 649 N LEU A 45 -8.423 -1.378 -5.191 1.00 0.00 N ATOM 650 CA LEU A 45 -8.183 -1.978 -3.884 1.00 0.00 C ATOM 651 C LEU A 45 -9.375 -2.899 -3.568 1.00 0.00 C ATOM 652 O LEU A 45 -9.170 -4.024 -3.119 1.00 0.00 O ATOM 653 CB LEU A 45 -7.906 -0.904 -2.802 1.00 0.00 C ATOM 654 CG LEU A 45 -6.446 -0.396 -2.712 1.00 0.00 C ATOM 655 CD1 LEU A 45 -5.912 0.196 -4.018 1.00 0.00 C ATOM 656 CD2 LEU A 45 -6.308 0.675 -1.617 1.00 0.00 C ATOM 0 H LEU A 45 -8.422 -0.358 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.276 -2.582 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.557 -0.050 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.189 -1.312 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.855 -1.281 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.884 0.529 -3.873 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.941 -0.563 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.530 1.044 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.274 1.018 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.960 1.518 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.592 0.250 -0.654 1.00 0.00 H new ATOM 668 N ALA A 46 -10.622 -2.482 -3.825 1.00 0.00 N ATOM 669 CA ALA A 46 -11.786 -3.328 -3.555 1.00 0.00 C ATOM 670 C ALA A 46 -11.711 -4.608 -4.403 1.00 0.00 C ATOM 671 O ALA A 46 -11.890 -5.710 -3.873 1.00 0.00 O ATOM 672 CB ALA A 46 -13.088 -2.561 -3.814 1.00 0.00 C ATOM 0 H ALA A 46 -10.847 -1.568 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.780 -3.613 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.939 -3.209 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.131 -1.687 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.121 -2.241 -4.855 1.00 0.00 H new ATOM 678 N SER A 47 -11.446 -4.498 -5.709 1.00 0.00 N ATOM 679 CA SER A 47 -11.332 -5.654 -6.602 1.00 0.00 C ATOM 680 C SER A 47 -10.130 -6.543 -6.252 1.00 0.00 C ATOM 681 O SER A 47 -10.124 -7.729 -6.587 1.00 0.00 O ATOM 682 CB SER A 47 -11.225 -5.166 -8.047 1.00 0.00 C ATOM 683 OG SER A 47 -12.437 -4.546 -8.430 1.00 0.00 O ATOM 0 H SER A 47 -11.304 -3.603 -6.177 1.00 0.00 H new ATOM 0 HA SER A 47 -12.226 -6.265 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.398 -4.462 -8.143 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.009 -6.004 -8.709 1.00 0.00 H new ATOM 0 HG SER A 47 -12.366 -4.232 -9.356 1.00 0.00 H new ATOM 689 N LEU A 48 -9.136 -6.017 -5.537 1.00 0.00 N ATOM 690 CA LEU A 48 -7.935 -6.728 -5.115 1.00 0.00 C ATOM 691 C LEU A 48 -8.133 -7.414 -3.761 1.00 0.00 C ATOM 692 O LEU A 48 -7.156 -7.867 -3.162 1.00 0.00 O ATOM 693 CB LEU A 48 -6.716 -5.788 -5.166 1.00 0.00 C ATOM 694 CG LEU A 48 -6.247 -5.535 -6.619 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.268 -4.361 -6.658 1.00 0.00 C ATOM 696 CD2 LEU A 48 -5.568 -6.779 -7.213 1.00 0.00 C ATOM 0 H LEU A 48 -9.148 -5.046 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.734 -7.538 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.969 -4.838 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.898 -6.221 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.129 -5.303 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.944 -4.191 -7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.760 -3.465 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.402 -4.589 -6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.251 -6.568 -8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.699 -7.042 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.272 -7.611 -7.217 1.00 0.00 H new ATOM 708 N LYS A 49 -9.390 -7.565 -3.312 1.00 0.00 N ATOM 709 CA LYS A 49 -9.813 -8.208 -2.064 1.00 0.00 C ATOM 710 C LYS A 49 -9.459 -7.378 -0.833 1.00 0.00 C ATOM 711 O LYS A 49 -9.302 -7.944 0.247 1.00 0.00 O ATOM 712 CB LYS A 49 -9.320 -9.674 -1.923 1.00 0.00 C ATOM 713 CG LYS A 49 -9.700 -10.685 -3.016 1.00 0.00 C ATOM 714 CD LYS A 49 -8.975 -10.453 -4.350 1.00 0.00 C ATOM 715 CE LYS A 49 -8.898 -11.698 -5.223 1.00 0.00 C ATOM 716 NZ LYS A 49 -10.236 -12.164 -5.615 1.00 0.00 N ATOM 0 H LYS A 49 -10.186 -7.218 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.900 -8.258 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.232 -9.653 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.691 -10.058 -0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.477 -11.691 -2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.776 -10.638 -3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.487 -9.664 -4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.965 -10.097 -4.148 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.311 -11.482 -6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.379 -12.490 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.147 -12.993 -6.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.776 -12.425 -4.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.734 -11.404 -6.121 1.00 0.00 H new ATOM 730 N ILE A 50 -9.327 -6.058 -0.963 1.00 0.00 N ATOM 731 CA ILE A 50 -9.004 -5.188 0.156 1.00 0.00 C ATOM 732 C ILE A 50 -10.345 -4.562 0.596 1.00 0.00 C ATOM 733 O ILE A 50 -10.807 -3.618 -0.055 1.00 0.00 O ATOM 734 CB ILE A 50 -7.906 -4.165 -0.233 1.00 0.00 C ATOM 735 CG1 ILE A 50 -6.777 -4.690 -1.157 1.00 0.00 C ATOM 736 CG2 ILE A 50 -7.258 -3.615 1.041 1.00 0.00 C ATOM 737 CD1 ILE A 50 -5.983 -5.872 -0.602 1.00 0.00 C ATOM 0 H ILE A 50 -9.442 -5.566 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.566 -5.723 0.999 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.432 -3.406 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.216 -4.983 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.086 -3.872 -1.362 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.485 -2.895 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.016 -3.124 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.812 -4.434 1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.218 -6.166 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.509 -5.583 0.336 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.656 -6.711 -0.425 1.00 0.00 H new ATOM 749 N PRO A 51 -11.025 -5.069 1.644 1.00 0.00 N ATOM 750 CA PRO A 51 -12.303 -4.525 2.109 1.00 0.00 C ATOM 751 C PRO A 51 -12.095 -3.206 2.856 1.00 0.00 C ATOM 752 O PRO A 51 -11.004 -2.965 3.372 1.00 0.00 O ATOM 753 CB PRO A 51 -12.858 -5.592 3.051 1.00 0.00 C ATOM 754 CG PRO A 51 -11.593 -6.169 3.677 1.00 0.00 C ATOM 755 CD PRO A 51 -10.621 -6.175 2.503 1.00 0.00 C ATOM 0 HA PRO A 51 -12.980 -4.307 1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.524 -5.165 3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.428 -6.351 2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.231 -5.555 4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.757 -7.171 4.074 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.594 -6.048 2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.663 -7.122 1.966 1.00 0.00 H new ATOM 763 N GLU A 52 -13.130 -2.363 2.958 1.00 0.00 N ATOM 764 CA GLU A 52 -13.092 -1.056 3.635 1.00 0.00 C ATOM 765 C GLU A 52 -12.444 -1.107 5.023 1.00 0.00 C ATOM 766 O GLU A 52 -11.642 -0.230 5.347 1.00 0.00 O ATOM 767 CB GLU A 52 -14.489 -0.402 3.716 1.00 0.00 C ATOM 768 CG GLU A 52 -15.532 -1.081 4.623 1.00 0.00 C ATOM 769 CD GLU A 52 -15.864 -2.478 4.115 1.00 0.00 C ATOM 770 OE1 GLU A 52 -15.324 -3.465 4.661 1.00 0.00 O ATOM 771 OE2 GLU A 52 -16.563 -2.557 3.073 1.00 0.00 O ATOM 0 H GLU A 52 -14.045 -2.576 2.561 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.455 -0.431 3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.362 0.625 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.899 -0.354 2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.150 -1.141 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -16.439 -0.477 4.658 1.00 0.00 H new ATOM 778 N GLN A 53 -12.689 -2.194 5.764 1.00 0.00 N ATOM 779 CA GLN A 53 -12.210 -2.457 7.117 1.00 0.00 C ATOM 780 C GLN A 53 -10.685 -2.351 7.253 1.00 0.00 C ATOM 781 O GLN A 53 -10.188 -2.115 8.358 1.00 0.00 O ATOM 782 CB GLN A 53 -12.700 -3.865 7.500 1.00 0.00 C ATOM 783 CG GLN A 53 -12.690 -4.179 9.001 1.00 0.00 C ATOM 784 CD GLN A 53 -13.936 -3.651 9.713 1.00 0.00 C ATOM 785 OE1 GLN A 53 -14.184 -2.447 9.755 1.00 0.00 O ATOM 786 NE2 GLN A 53 -14.730 -4.523 10.309 1.00 0.00 N ATOM 0 H GLN A 53 -13.263 -2.958 5.408 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.606 -1.697 7.791 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.716 -3.992 7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.078 -4.599 6.988 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.622 -5.257 9.144 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.801 -3.741 9.456 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.515 -5.519 10.268 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.558 -4.200 10.810 1.00 0.00 H new ATOM 795 N PHE A 54 -9.946 -2.536 6.155 1.00 0.00 N ATOM 796 CA PHE A 54 -8.492 -2.446 6.118 1.00 0.00 C ATOM 797 C PHE A 54 -8.055 -1.490 5.005 1.00 0.00 C ATOM 798 O PHE A 54 -7.159 -0.679 5.210 1.00 0.00 O ATOM 799 CB PHE A 54 -7.856 -3.831 5.966 1.00 0.00 C ATOM 800 CG PHE A 54 -6.374 -3.732 5.662 1.00 0.00 C ATOM 801 CD1 PHE A 54 -5.954 -3.663 4.323 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.432 -3.596 6.697 1.00 0.00 C ATOM 803 CE1 PHE A 54 -4.589 -3.521 4.012 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.070 -3.419 6.389 1.00 0.00 C ATOM 805 CZ PHE A 54 -3.645 -3.396 5.048 1.00 0.00 C ATOM 0 H PHE A 54 -10.357 -2.758 5.248 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.140 -2.041 7.067 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.003 -4.402 6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.357 -4.377 5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.683 -3.719 3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.753 -3.627 7.728 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.267 -3.508 2.981 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.349 -3.301 7.184 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.597 -3.283 4.814 1.00 0.00 H new ATOM 815 N ARG A 55 -8.701 -1.530 3.835 1.00 0.00 N ATOM 816 CA ARG A 55 -8.441 -0.691 2.665 1.00 0.00 C ATOM 817 C ARG A 55 -8.319 0.773 3.042 1.00 0.00 C ATOM 818 O ARG A 55 -7.463 1.473 2.505 1.00 0.00 O ATOM 819 CB ARG A 55 -9.584 -0.895 1.663 1.00 0.00 C ATOM 820 CG ARG A 55 -9.493 -0.001 0.417 1.00 0.00 C ATOM 821 CD ARG A 55 -10.572 -0.311 -0.629 1.00 0.00 C ATOM 822 NE ARG A 55 -11.905 0.132 -0.195 1.00 0.00 N ATOM 823 CZ ARG A 55 -13.025 -0.587 -0.085 1.00 0.00 C ATOM 824 NH1 ARG A 55 -13.024 -1.904 -0.271 1.00 0.00 N ATOM 825 NH2 ARG A 55 -14.163 0.025 0.226 1.00 0.00 N ATOM 0 H ARG A 55 -9.463 -2.188 3.672 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.490 -0.983 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.595 -1.939 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.532 -0.704 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.578 1.043 0.719 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.510 -0.122 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.316 0.178 -1.569 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -10.592 -1.384 -0.822 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.985 1.118 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.155 -2.386 -0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.892 -2.432 -0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.175 1.034 0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.025 -0.514 0.313 1.00 0.00 H new ATOM 839 N HIS A 56 -9.174 1.236 3.949 1.00 0.00 N ATOM 840 CA HIS A 56 -9.141 2.620 4.362 1.00 0.00 C ATOM 841 C HIS A 56 -7.826 2.944 5.062 1.00 0.00 C ATOM 842 O HIS A 56 -7.375 4.069 4.921 1.00 0.00 O ATOM 843 CB HIS A 56 -10.382 2.935 5.215 1.00 0.00 C ATOM 844 CG HIS A 56 -11.665 3.020 4.409 1.00 0.00 C ATOM 845 ND1 HIS A 56 -12.731 3.865 4.643 1.00 0.00 N ATOM 846 CD2 HIS A 56 -11.954 2.326 3.264 1.00 0.00 C ATOM 847 CE1 HIS A 56 -13.608 3.709 3.634 1.00 0.00 C ATOM 848 NE2 HIS A 56 -13.174 2.781 2.765 1.00 0.00 N ATOM 0 H HIS A 56 -9.891 0.671 4.405 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.181 3.270 3.488 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -10.493 2.166 5.979 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.225 3.880 5.735 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -11.340 1.555 2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.534 4.255 3.536 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -13.642 2.472 1.913 1.00 0.00 H new ATOM 856 N ALA A 57 -7.195 2.003 5.768 1.00 0.00 N ATOM 857 CA ALA A 57 -5.934 2.218 6.466 1.00 0.00 C ATOM 858 C ALA A 57 -4.765 2.312 5.491 1.00 0.00 C ATOM 859 O ALA A 57 -3.944 3.222 5.609 1.00 0.00 O ATOM 860 CB ALA A 57 -5.684 1.078 7.452 1.00 0.00 C ATOM 0 H ALA A 57 -7.556 1.054 5.870 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.008 3.163 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.740 1.245 7.970 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.495 1.041 8.179 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.638 0.133 6.911 1.00 0.00 H new ATOM 866 N ILE A 58 -4.649 1.369 4.549 1.00 0.00 N ATOM 867 CA ILE A 58 -3.574 1.367 3.564 1.00 0.00 C ATOM 868 C ILE A 58 -3.648 2.645 2.730 1.00 0.00 C ATOM 869 O ILE A 58 -2.653 3.363 2.607 1.00 0.00 O ATOM 870 CB ILE A 58 -3.598 0.078 2.686 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.771 0.267 1.390 1.00 0.00 C ATOM 872 CG2 ILE A 58 -4.991 -0.455 2.325 1.00 0.00 C ATOM 873 CD1 ILE A 58 -2.741 -0.934 0.436 1.00 0.00 C ATOM 0 H ILE A 58 -5.299 0.589 4.452 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.615 1.353 4.082 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.147 -0.679 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.169 1.126 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.746 0.512 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.890 -1.352 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.536 -0.697 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.538 0.305 1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.134 -0.691 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.311 -1.795 0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.756 -1.171 0.117 1.00 0.00 H new ATOM 885 N TRP A 59 -4.828 2.910 2.164 1.00 0.00 N ATOM 886 CA TRP A 59 -5.030 4.061 1.308 1.00 0.00 C ATOM 887 C TRP A 59 -4.806 5.351 2.085 1.00 0.00 C ATOM 888 O TRP A 59 -3.954 6.145 1.703 1.00 0.00 O ATOM 889 CB TRP A 59 -6.390 3.981 0.598 1.00 0.00 C ATOM 890 CG TRP A 59 -6.415 4.660 -0.737 1.00 0.00 C ATOM 891 CD1 TRP A 59 -5.808 4.203 -1.852 1.00 0.00 C ATOM 892 CD2 TRP A 59 -6.968 5.950 -1.110 1.00 0.00 C ATOM 893 NE1 TRP A 59 -5.939 5.113 -2.882 1.00 0.00 N ATOM 894 CE2 TRP A 59 -6.644 6.222 -2.472 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.668 6.938 -0.402 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.015 7.421 -3.099 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.057 8.139 -1.024 1.00 0.00 C ATOM 898 CH2 TRP A 59 -7.733 8.383 -2.370 1.00 0.00 C ATOM 0 H TRP A 59 -5.659 2.332 2.290 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.285 4.060 0.513 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.660 2.933 0.468 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.150 4.429 1.238 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.292 3.257 -1.928 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.564 4.981 -3.821 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.912 6.774 0.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.751 7.602 -4.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.609 8.879 -0.463 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.035 9.306 -2.842 1.00 0.00 H new ATOM 909 N LYS A 60 -5.520 5.567 3.196 1.00 0.00 N ATOM 910 CA LYS A 60 -5.351 6.783 3.990 1.00 0.00 C ATOM 911 C LYS A 60 -3.903 6.932 4.455 1.00 0.00 C ATOM 912 O LYS A 60 -3.370 8.025 4.356 1.00 0.00 O ATOM 913 CB LYS A 60 -6.316 6.747 5.183 1.00 0.00 C ATOM 914 CG LYS A 60 -6.413 8.017 6.033 1.00 0.00 C ATOM 915 CD LYS A 60 -7.122 9.156 5.311 1.00 0.00 C ATOM 916 CE LYS A 60 -7.483 10.226 6.341 1.00 0.00 C ATOM 917 NZ LYS A 60 -8.118 11.372 5.676 1.00 0.00 N ATOM 0 H LYS A 60 -6.216 4.917 3.562 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.584 7.651 3.373 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.312 6.513 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.020 5.924 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.945 7.791 6.957 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.410 8.339 6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.478 9.575 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.020 8.790 4.813 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.158 9.809 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.586 10.552 6.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.360 12.094 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.461 11.777 4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.984 11.057 5.193 1.00 0.00 H new ATOM 931 N GLY A 61 -3.236 5.854 4.871 1.00 0.00 N ATOM 932 CA GLY A 61 -1.860 5.926 5.353 1.00 0.00 C ATOM 933 C GLY A 61 -0.891 6.455 4.306 1.00 0.00 C ATOM 934 O GLY A 61 -0.087 7.351 4.584 1.00 0.00 O ATOM 0 H GLY A 61 -3.633 4.914 4.883 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.822 6.568 6.233 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.539 4.933 5.669 1.00 0.00 H new ATOM 938 N ILE A 62 -0.942 5.902 3.097 1.00 0.00 N ATOM 939 CA ILE A 62 -0.048 6.333 2.028 1.00 0.00 C ATOM 940 C ILE A 62 -0.453 7.728 1.565 1.00 0.00 C ATOM 941 O ILE A 62 0.417 8.571 1.367 1.00 0.00 O ATOM 942 CB ILE A 62 0.006 5.255 0.936 1.00 0.00 C ATOM 943 CG1 ILE A 62 1.401 5.127 0.287 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.085 5.301 -0.134 1.00 0.00 C ATOM 945 CD1 ILE A 62 1.933 6.376 -0.427 1.00 0.00 C ATOM 0 H ILE A 62 -1.589 5.159 2.835 1.00 0.00 H new ATOM 0 HA ILE A 62 0.981 6.434 2.372 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.209 4.351 1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.114 4.845 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.371 4.308 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.933 4.488 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.062 5.193 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.039 6.255 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.919 6.166 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.252 6.653 -1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.007 7.198 0.285 1.00 0.00 H new ATOM 957 N LEU A 63 -1.756 8.003 1.444 1.00 0.00 N ATOM 958 CA LEU A 63 -2.231 9.323 1.036 1.00 0.00 C ATOM 959 C LEU A 63 -1.786 10.347 2.086 1.00 0.00 C ATOM 960 O LEU A 63 -1.476 11.480 1.746 1.00 0.00 O ATOM 961 CB LEU A 63 -3.763 9.338 0.871 1.00 0.00 C ATOM 962 CG LEU A 63 -4.287 9.040 -0.551 1.00 0.00 C ATOM 963 CD1 LEU A 63 -4.027 10.219 -1.491 1.00 0.00 C ATOM 964 CD2 LEU A 63 -3.720 7.777 -1.211 1.00 0.00 C ATOM 0 H LEU A 63 -2.498 7.327 1.624 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.803 9.578 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.191 8.607 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.133 10.316 1.177 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.353 8.870 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.406 9.982 -2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.534 11.106 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.955 10.410 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.152 7.660 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.637 7.865 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.967 6.907 -0.603 1.00 0.00 H new ATOM 976 N ASP A 64 -1.707 9.946 3.354 1.00 0.00 N ATOM 977 CA ASP A 64 -1.297 10.806 4.469 1.00 0.00 C ATOM 978 C ASP A 64 0.206 11.078 4.377 1.00 0.00 C ATOM 979 O ASP A 64 0.677 12.155 4.731 1.00 0.00 O ATOM 980 CB ASP A 64 -1.539 10.146 5.848 1.00 0.00 C ATOM 981 CG ASP A 64 -2.970 10.091 6.387 1.00 0.00 C ATOM 982 OD1 ASP A 64 -3.218 9.221 7.261 1.00 0.00 O ATOM 983 OD2 ASP A 64 -3.811 10.954 6.038 1.00 0.00 O ATOM 0 H ASP A 64 -1.931 8.994 3.644 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.892 11.716 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.164 9.124 5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.928 10.674 6.581 1.00 0.00 H new ATOM 988 N HIS A 65 0.972 10.067 3.956 1.00 0.00 N ATOM 989 CA HIS A 65 2.422 10.117 3.819 1.00 0.00 C ATOM 990 C HIS A 65 2.788 11.074 2.703 1.00 0.00 C ATOM 991 O HIS A 65 3.511 12.035 2.936 1.00 0.00 O ATOM 992 CB HIS A 65 2.998 8.714 3.530 1.00 0.00 C ATOM 993 CG HIS A 65 4.447 8.710 3.100 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.482 9.438 3.647 1.00 0.00 N ATOM 995 CD2 HIS A 65 4.956 8.023 2.031 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.583 9.191 2.923 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.326 8.309 1.937 1.00 0.00 N ATOM 0 H HIS A 65 0.581 9.162 3.693 1.00 0.00 H new ATOM 0 HA HIS A 65 2.852 10.469 4.757 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.896 8.101 4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.399 8.242 2.751 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.399 7.373 1.373 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.548 9.640 3.106 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.990 7.928 1.262 1.00 0.00 H new ATOM 1005 N ARG A 66 2.266 10.818 1.505 1.00 0.00 N ATOM 1006 CA ARG A 66 2.543 11.644 0.336 1.00 0.00 C ATOM 1007 C ARG A 66 2.031 13.063 0.552 1.00 0.00 C ATOM 1008 O ARG A 66 2.633 14.008 0.042 1.00 0.00 O ATOM 1009 CB ARG A 66 2.014 10.970 -0.945 1.00 0.00 C ATOM 1010 CG ARG A 66 0.489 10.783 -0.960 1.00 0.00 C ATOM 1011 CD ARG A 66 -0.244 11.879 -1.731 1.00 0.00 C ATOM 1012 NE ARG A 66 -0.288 11.537 -3.156 1.00 0.00 N ATOM 1013 CZ ARG A 66 -0.237 12.340 -4.218 1.00 0.00 C ATOM 1014 NH1 ARG A 66 -0.156 13.656 -4.084 1.00 0.00 N ATOM 1015 NH2 ARG A 66 -0.264 11.800 -5.425 1.00 0.00 N ATOM 0 H ARG A 66 1.641 10.034 1.320 1.00 0.00 H new ATOM 0 HA ARG A 66 3.620 11.734 0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.306 11.569 -1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.492 9.997 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.252 9.816 -1.403 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.122 10.762 0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.256 11.994 -1.344 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.261 12.835 -1.592 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.369 10.542 -3.364 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.132 14.073 -3.154 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.118 14.251 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.323 10.787 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.226 12.396 -6.252 1.00 0.00 H new ATOM 1029 N GLN A 67 0.944 13.242 1.314 1.00 0.00 N ATOM 1030 CA GLN A 67 0.422 14.571 1.560 1.00 0.00 C ATOM 1031 C GLN A 67 1.347 15.337 2.510 1.00 0.00 C ATOM 1032 O GLN A 67 1.564 16.535 2.308 1.00 0.00 O ATOM 1033 CB GLN A 67 -0.986 14.427 2.141 1.00 0.00 C ATOM 1034 CG GLN A 67 -1.678 15.758 2.420 1.00 0.00 C ATOM 1035 CD GLN A 67 -2.161 16.477 1.161 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -1.727 17.589 0.862 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -3.085 15.872 0.432 1.00 0.00 N ATOM 0 H GLN A 67 0.423 12.488 1.761 1.00 0.00 H new ATOM 0 HA GLN A 67 0.373 15.142 0.633 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.597 13.849 1.448 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.929 13.857 3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.530 15.583 3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.989 16.409 2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.426 14.950 0.704 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.456 16.328 -0.402 1.00 0.00 H new ATOM 1046 N LEU A 68 1.911 14.679 3.523 1.00 0.00 N ATOM 1047 CA LEU A 68 2.788 15.306 4.511 1.00 0.00 C ATOM 1048 C LEU A 68 4.283 15.227 4.192 1.00 0.00 C ATOM 1049 O LEU A 68 5.080 15.810 4.935 1.00 0.00 O ATOM 1050 CB LEU A 68 2.466 14.702 5.887 1.00 0.00 C ATOM 1051 CG LEU A 68 1.038 15.040 6.378 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.802 14.400 7.747 1.00 0.00 C ATOM 1053 CD2 LEU A 68 0.765 16.548 6.504 1.00 0.00 C ATOM 0 H LEU A 68 1.769 13.682 3.682 1.00 0.00 H new ATOM 0 HA LEU A 68 2.583 16.376 4.497 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.580 13.619 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.190 15.066 6.616 1.00 0.00 H new ATOM 0 HG LEU A 68 0.360 14.646 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.204 14.639 8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.911 13.318 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.531 14.786 8.460 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.256 16.705 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.464 16.986 7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.893 17.023 5.532 1.00 0.00 H new ATOM 1065 N HIS A 69 4.686 14.552 3.117 1.00 0.00 N ATOM 1066 CA HIS A 69 6.069 14.421 2.704 1.00 0.00 C ATOM 1067 C HIS A 69 6.117 14.032 1.229 1.00 0.00 C ATOM 1068 O HIS A 69 5.635 12.968 0.837 1.00 0.00 O ATOM 1069 CB HIS A 69 6.796 13.383 3.562 1.00 0.00 C ATOM 1070 CG HIS A 69 8.288 13.522 3.442 1.00 0.00 C ATOM 1071 ND1 HIS A 69 9.077 13.020 2.431 1.00 0.00 N ATOM 1072 CD2 HIS A 69 9.097 14.213 4.301 1.00 0.00 C ATOM 1073 CE1 HIS A 69 10.346 13.360 2.696 1.00 0.00 C ATOM 1074 NE2 HIS A 69 10.412 14.054 3.848 1.00 0.00 N ATOM 0 H HIS A 69 4.036 14.070 2.496 1.00 0.00 H new ATOM 0 HA HIS A 69 6.576 15.376 2.841 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.501 13.499 4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.496 12.381 3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.781 14.776 5.167 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.194 13.113 2.075 1.00 0.00 H new ATOM 0 HE2 HIS A 69 11.258 14.398 4.303 1.00 0.00 H new ATOM 1082 N ASP A 70 6.688 14.905 0.406 1.00 0.00 N ATOM 1083 CA ASP A 70 6.848 14.724 -1.031 1.00 0.00 C ATOM 1084 C ASP A 70 8.281 15.063 -1.375 1.00 0.00 C ATOM 1085 O ASP A 70 8.983 14.166 -1.879 1.00 0.00 O ATOM 1086 CB ASP A 70 5.876 15.602 -1.824 1.00 0.00 C ATOM 1087 CG ASP A 70 6.264 15.563 -3.303 1.00 0.00 C ATOM 1088 OD1 ASP A 70 6.062 14.505 -3.944 1.00 0.00 O ATOM 1089 OD2 ASP A 70 6.794 16.584 -3.795 1.00 0.00 O ATOM 0 H ASP A 70 7.067 15.793 0.736 1.00 0.00 H new ATOM 0 HA ASP A 70 6.621 13.693 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.854 15.246 -1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.906 16.627 -1.454 1.00 0.00 H new TER 1094 ASP A 70